A0A087Y4D7_POEFO Loading...

Neugrin

Plays an essential role in mitochondrial ribosome biogenesis. As a component of a functional protein-RNA module, consisting of RCC1L, NGRN, RPUSD3, RPUSD4, TRUB2, FASTKD2 and 16S mitochondrial ribosomal RNA (16S mt-rRNA), controls 16S mt-rRNA abundance and is required for intra-mitochondrial translation of core subunits of the oxidative phosphorylation system.

AlphaFold DB , UniProt , Accession A0A087Y4D7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 303 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
1M39.8Very low49.1Very low244 Ų244155.8 Ų155.8100%1.20286%0.863SS**  0126.20-71.4157.283.500107.9
2S39.5Very low49.1Very low117 Ų117155 Ų15582%0.81886%0.855SS**  trans41.6102.5168.5-72.50000119.7
3M39Very low48.9Very low184 Ų184155.5 Ų155.591%0.90685%0.854SS**  80.692.374.4-68.1-70.4-93.300113.8
4A49.2Very low48.3Very low101 Ų101156.1 Ų156.184%0.83584%0.844SS**PPolyproline II helixtrans-91.8131.1162.100000109.4
5R61.2Low48.4Very low243 Ų243161.3 Ų161.392%0.91785%0.847SS**PPolyproline II helixtrans-97.1134.5176.7-69.7-176.3172.2173.9-2110.4
6P58.9Low48.1Very low122 Ų122162.7 Ų162.779%0.79284%0.844SS**PPolyproline II helixtrans-89137.416532.5-29.1000111
7L57.5Low47.7Very low177 Ų177160.2 Ų160.293%0.92784%0.844SS**PPolyproline II helixtrans-79.7117.6171.2-72.5169.1000109.4
8Q55.4Low47.7Very low176 Ų176156.2 Ų156.282%0.82284%0.837SS**PPolyproline II helixtrans-72.2128.3172.4-80.8176.1-28.600110.8
9V51.4Low47.5Very low136 Ų136154.3 Ų154.382%0.82483%0.834SS**  trans-87.3105.8163.4179.60000107.3
10C43.3Very low47.4Very low103 Ų103152.3 Ų152.370%0.69683%0.833SS**  trans-86.1109.6172.5-84.90000110.1L12C10-L12 PolarHBondContact O-N 3.29Å
11C44.9Very low47.3Very low111 Ų111152.8 Ų152.875%0.7583%0.834SS**  trans-71115.6164.6-61.90000109.9
12L49.5Very low47.4Very low146 Ų146145.2 Ų145.276%0.76481%0.81SS**  trans-98.192.2166.6-70.7175.8000109.6C10 F14C10-L12 PolarHBondContact O-N 3.29Å; L12-F14 HydrophobicContact CB-CE2 4.48Å; L12-F14 PolarHBondContact O-N 3.43Å
13L46.3Very low47.6Very low162 Ų162145.4 Ų145.485%0.84881%0.811SS**  trans-77.5101.7161.9-69.7171000108.2R15L13-R15 PolarHBondContact O-N 3.1Å; L13-R15 VanDerWaalsContact O-N 3.15Å
14F40.9Very low48Very low164 Ų164142 Ų14272%0.71980%0.803SS**  trans-75.5101.1165.8-88.2-80.5000109.7L12 F16L12-F14 HydrophobicContact CB-CE2 4.48Å; L12-F14 PolarHBondContact O-N 3.43Å; F14-F16 HydrophobicContact CD1-CD2 4.38Å; F14-F16 AromaticContact CD1-CE2 3.83Å; F14-F16 HydrophobicContact CD1-CE2 3.83Å; F14-F16 HydrophobicContact CE1-CE2 4.44Å
15R49.8Very low47.7Very low234 Ų234141.4 Ų141.488%0.88380%0.798SS**  trans-76111.2157.8-73.3-173.2145.2177.5-4.8108.4L13L13-R15 PolarHBondContact O-N 3.1Å; L13-R15 VanDerWaalsContact O-N 3.15Å
16F42.6Very low46.5Very low183 Ų183135.4 Ų135.480%0.80379%0.792SS**  trans-108.9102.4153.4-86.1-78.1000108.6F14F14-F16 HydrophobicContact CD1-CD2 4.38Å; F14-F16 AromaticContact CD1-CE2 3.83Å; F14-F16 HydrophobicContact CD1-CE2 3.83Å; F14-F16 HydrophobicContact CE1-CE2 4.44Å
17S42.4Very low46.2Very low120 Ų120137.1 Ų137.184%0.83979%0.794SS**  trans-78.2129.8156.1-169.80000107.3
18A47.3Very low45.4Very low88 Ų88135.7 Ų135.773%0.72779%0.787SS**  trans-147.6150163.800000109.6
19P44.4Very low44.7Very low120 Ų120130.9 Ų130.978%0.77979%0.785SS**  trans-89.3154.5-150.935-34.7000114
20S45.7Very low44.4Very low115 Ų115130 Ų13080%0.80478%0.779SS**  trans-65.7132.4162.9174.60000110.7
21L44.6Very low44.6Very low163 Ų163136.5 Ų136.585%0.85379%0.789SS**  trans-156106.3153.9-100.9158000109.1
22A41.1Very low44.3Very low84 Ų84140.2 Ų140.269%0.69479%0.793SS**  trans39111.9150.200000119.7
23S44.8Very low44Very low121 Ų121138.1 Ų138.185%0.84679%0.791SS**  trans-65.2127.2155.3-84.40000110.5A25S23-A25 PolarHBondContact O-N 3.2Å
24P46Very low43.8Very low114 Ų114135.9 Ų135.974%0.7479%0.788SS**  trans-80111.1160.930.1-25.1000108.1C26P24-C26 PolarHBondContact O-N 3.45Å; P24-C26 VanDerWaalsContact O-N 3.1Å
25A44.4Very low44.1Very low88 Ų88139.3 Ų139.373%0.72780%0.796SS**  trans-61.7105.5160.700000108.3S23 L27S23-A25 PolarHBondContact O-N 3.2Å; A25-L27 VanDerWaalsContact C-N 3.26Å; A25-L27 PolarHBondContact O-N 3.13Å
26C36Very low44Very low117 Ų117131.5 Ų131.579%0.79179%0.789SS**  trans-76.783.8168.3-69.60000109.1P24 N28P24-C26 PolarHBondContact O-N 3.45Å; P24-C26 VanDerWaalsContact O-N 3.1Å; C26-N28 PolarHBondContact O-N 2.78Å
27L51Low44.1Very low158 Ų158128.7 Ų128.783%0.82778%0.782SS**  trans-66.1102156.9-71.7166000108.1A25A25-L27 VanDerWaalsContact C-N 3.26Å; A25-L27 PolarHBondContact O-N 3.13Å
28N42.6Very low44.6Very low147 Ų147128.3 Ų128.379%0.78678%0.78SS**  trans-122.772.2159.7-84-17.9000108.4C26 V30C26-N28 PolarHBondContact O-N 2.78Å; N28-V30 VanDerWaalsContact C-N 3.31Å; N28-V30 PolarHBondContact O-N 2.81Å; N28-V30 VanDerWaalsContact O-N 3.13Å
29G40.8Very low44.7Very low75 Ų75131.9 Ų131.977%0.77378%0.779SS**  trans-72.889159.600000108.7R31G29-R31 VanDerWaalsContact C-N 3.35Å; G29-R31 PolarHBondContact O-N 3.35Å
30V45Very low44.9Very low118 Ų118132 Ų13272%0.71578%0.778SS**  trans-74.295.6166.81800000106.8N28 F32N28-V30 VanDerWaalsContact C-N 3.31Å; N28-V30 PolarHBondContact O-N 2.81Å; N28-V30 VanDerWaalsContact O-N 3.13Å; V30-F32 HydrophobicContact CG1-CD2 4.34Å; V30-F32 PolarHBondContact O-N 3.05Å
31R47.5Very low45Very low238 Ų238138.4 Ų138.490%0.89878%0.784SS**  trans-62.7100.9162.2-71.4-175.5-171.2-1802.5107.1G29 S33G29-R31 VanDerWaalsContact C-N 3.35Å; G29-R31 PolarHBondContact O-N 3.35Å; R31-S33 PolarHBondContact O-N 2.87Å
32F37.7Very low44.9Very low189 Ų189136.8 Ų136.883%0.82978%0.781SS**  trans-77.698.7166.9-138.8-91.9000106.8V30 S34V30-F32 HydrophobicContact CG1-CD2 4.34Å; V30-F32 PolarHBondContact O-N 3.05Å; F32-S34 PolarHBondContact O-N 3.26Å
33S42.2Very low44.8Very low103 Ų103136.2 Ų136.272%0.7278%0.783SS**  trans-63.3104.6169.7-63.20000108.3R31 R35R31-S33 PolarHBondContact O-N 2.87Å; S33-R35 VanDerWaalsContact C-N 3.34Å; S33-R35 PolarHBondContact O-N 3.28Å
34S43.9Very low45Very low114 Ų114139.1 Ų139.180%0.79778%0.783SS**  trans-64.895.9165.5-177.90000108F32 G36F32-S34 PolarHBondContact O-N 3.26Å; S34-G36 PolarHBondContact O-N 3.05Å
35R46.2Very low45Very low236 Ų236140.6 Ų140.689%0.89179%0.785SS**  trans-78.598.1161.3-105.3-178.4154.7-154.8-6106.4S33 N37S33-R35 VanDerWaalsContact C-N 3.34Å; S33-R35 PolarHBondContact O-N 3.28Å; R35-N37 PolarHBondContact O-N 3.26Å
36G48.2Very low44.8Very low70 Ų70145.7 Ų145.772%0.72279%0.793SS**  trans-55.2116.4166.400000109S34S34-G36 PolarHBondContact O-N 3.05Å
37N44.8Very low45.4Very low124 Ų124146.9 Ų146.966%0.66380%0.797SS**  trans-116.583.8170.9-14977.8000106.1R35 K39R35-N37 PolarHBondContact O-N 3.26Å; N37-K39 VanDerWaalsContact C-N 3.28Å; N37-K39 WeakPolarHBondContact ND2-CE 3.46Å; N37-K39 WeakPolarHBondContact ND2-CG 3.43Å; N37-K39 PolarHBondContact O-N 3.02Å
38S51.9Low45Very low113 Ų113144.7 Ų144.779%0.7980%0.795SS**  trans-61.892.3166.941.80000108.2T40S38-T40 PolarHBondContact O-N 3.11Å
39K50.2Low45.3Very low163 Ų163141.4 Ų141.471%0.70980%0.796SS**  trans-89.992.2164.4-77.7-178.1172.7-173.30107.1N37 W41N37-K39 VanDerWaalsContact C-N 3.28Å; N37-K39 WeakPolarHBondContact ND2-CE 3.46Å; N37-K39 WeakPolarHBondContact ND2-CG 3.43Å; N37-K39 PolarHBondContact O-N 3.02Å; K39-W41 PolarHBondContact O-N 2.92Å
40T49.3Very low45.2Very low123 Ų123145.3 Ų145.376%0.75580%0.799SS**  trans-54.8118.215840.20000108S38 V42S38-T40 PolarHBondContact O-N 3.11Å; T40-V42 PolarHBondContact O-N 3.12Å
41W45.9Very low45.5Very low249 Ų249150.8 Ų150.894%0.94381%0.807SS**  trans-72.8105.8166.9-77.280.2000106.9K39 G43K39-W41 PolarHBondContact O-N 2.92Å; W41-G43 PolarHBondContact O-N 3.42Å
42V43.9Very low45.3Very low129 Ų129146 Ų14678%0.78280%0.804SS**  trans-74.3107168.1178.70000106.5T40 Q44T40-V42 PolarHBondContact O-N 3.12Å; V42-Q44 PolarHBondContact O-N 2.94Å; V42-Q44 VanDerWaalsContact O-N 3.15Å
43G38.8Very low46Very low72 Ų72148.9 Ų148.974%0.74281%0.809SS**  trans-56113.4169.900000109.7W41 N45W41-G43 PolarHBondContact O-N 3.42Å; G43-N45 PolarHBondContact O-N 3.06Å
44Q48.4Very low46.3Very low181 Ų181148.8 Ų148.885%0.84681%0.809SS**  trans-77.4108.3171.7177.5178.9-27.200108V42V42-Q44 PolarHBondContact O-N 2.94Å; V42-Q44 VanDerWaalsContact O-N 3.15Å
45N46.3Very low46.7Very low145 Ų145152.4 Ų152.478%0.77581%0.813SS**  trans-164.8101.4157.9-87.1-35.6000109.5G43G43-N45 PolarHBondContact O-N 3.06Å
46H40.8Very low46.7Very low195 Ų195149 Ų14990%0.90381%0.811SS**  trans-148.5114.3144.4-81.6-61.1000109.9S48H46-S48 PolarHBondContact O-N 3.45Å
47V48.4Very low46.5Very low142 Ų142150.2 Ų150.286%0.86181%0.808SS**  trans-52.4126.2154.7167.50000108.5
48S42.2Very low46.8Very low113 Ų113155.3 Ų155.379%0.7982%0.818SS**  trans-158.1106.8151-80.30000107.9H46H46-S48 PolarHBondContact O-N 3.45Å
49G48.8Very low46.7Very low78 Ų78158.8 Ų158.880%0.80482%0.819SS**  trans-70128.3165.200000108.6
50D38.5Very low46.8Very low156 Ų156156.9 Ų156.983%0.83482%0.817SS**  trans-145.8138.4145.5-145.2-12.8000111.6T52D50-T52 PolarHBondContact O-N 3.06Å
51R52.4Low47Very low234 Ų234158.2 Ų158.288%0.88382%0.819SS**  trans-77.1111.6-180-80.8168.4155.4175.8-5.1108.9
52T42.5Very low47.5Very low138 Ų138153.7 Ų153.785%0.84781%0.813SS**  trans-140.389.7150.842.60000110.5D50 S54D50-T52 PolarHBondContact O-N 3.06Å; T52-S54 PolarHBondContact O-N 2.94Å
53R53Low48.1Very low249 Ų249152.1 Ų152.194%0.9480%0.804SS**  trans-71.1110.7157-179.9-173.3-162.5-162.95.6107.4
54S47Very low49Very low101 Ų101154.8 Ų154.871%0.70680%0.797SS**  trans-164.7114.1150.7-98.70000111.9T52T52-S54 PolarHBondContact O-N 2.94Å
55Q52.5Low49.9Very low189 Ų189149.7 Ų149.788%0.88378%0.78SS**  trans52.585.2136.5-98.4179.4-1700118.2
56I46.7Very low51.1Low166 Ų166149.8 Ų149.885%0.85178%0.775SS**  trans-129.589.2146.8-60.7176.4000104.8
57S43.3Very low52.9Low94 Ų94146.2 Ų146.266%0.65776%0.762SS**  66.684.1102.8-171.90000111.6F59S57-F59 PolarHBondContact O-N 3.07Å; S57-F59 VanDerWaalsContact O-N 3.1Å
58R52.4Low54.4Low232 Ų232145.1 Ų145.188%0.87575%0.748SS**SBendtrans-52.3103.1160.2-65.7168.2177166.6-2.4108.4
59F48.7Very low56.4Low185 Ų185144.3 Ų144.381%0.81174%0.738SS**  trans174.777.9160.3-91.3-65.1000106.3S57S57-F59 PolarHBondContact O-N 3.07Å; S57-F59 VanDerWaalsContact O-N 3.1Å
60N52.5Low58.4Low123 Ų123145.1 Ų145.166%0.65872%0.723SS**  trans-16521162.6-85.7-37.7000113D62N60-D62 PolarHBondContact O-N 3.31Å; N60-D62 VanDerWaalsContact O-N 3.14Å
61D54Low60.8Low151 Ų151144.1 Ų144.181%0.80771%0.714SS**THydrogen-bonded Turntrans-76.72.4-174.2-62.2-54.7000114.7
62D56.7Low62.7Low154 Ų154138.1 Ų138.182%0.82470%0.699SS**THydrogen-bonded Turntrans-119.41.2-170.6-122.5-10.3000115N60N60-D62 PolarHBondContact O-N 3.31Å; N60-D62 VanDerWaalsContact O-N 3.14Å
63V55.7Low65.1Low97 Ų97138.3 Ų138.359%0.58869%0.688SS**THydrogen-bonded Turntrans-120.5-16.9178-174.40000112.6P65V63-P65 VanDerWaalsContact C-CD 3.43Å
64E58.4Low67Low128 Ų128131.9 Ų131.960%0.59867%0.672SS**Hα-helixtrans-55.4-44173.7-149.394-173.300114.7E66 L67 E68E64-E66 VanDerWaalsContact C-N 3.34Å; E64-E66 PolarHBondContact O-N 3.49Å; E64-L67 PolarHBondContact O-N 2.86Å; E64-E68 PolarHBondContact O-N 2.92Å
65P66.3Low69.3Low73 Ų73131.5 Ų131.547%0.47466%0.659SS.*Hα-helixtrans-72.3-23.5-169.825.8-32.9000113.9V63 V69V63-P65 VanDerWaalsContact C-CD 3.43Å; P65-V69 WeakPolarHBondContact O-CB 3.49Å; P65-V69 WeakPolarHBondContact O-CG2 3.48Å; P65-V69 PolarHBondContact O-N 3.15Å
66E72.3Confident71.4Confident147 Ų147125.3 Ų125.369%0.68764%0.64SS**Hα-helixtrans-77.1-35.2175.2-172.5171.7-177.500111.7E64 L70E64-E66 VanDerWaalsContact C-N 3.34Å; E64-E66 PolarHBondContact O-N 3.49Å; E66-L70 HydrophobicContact CG-CD1 4.49Å; E66-L70 VanDerWaalsContact O-CG 3.29Å; E66-L70 WeakPolarHBondContact O-CG 3.46Å; E66-L70 PolarHBondContact O-N 3.07Å; E66-L70 VanDerWaalsContact O-N 3.13Å
67L77.9Confident73.7Confident120 Ų120121.9 Ų121.963%0.62863%0.626SS**Hα-helixtrans-69.4-42.9176.6-108.9164.7000111.8E64 V69 L70 E71E64-L67 PolarHBondContact O-N 2.86Å; L67-V69 PolarHBondContact O-N 2.97Å; L67-L70 PolarHBondContact O-N 2.77Å; L67-E71 PolarHBondContact O-N 2.79Å
68E80.4Confident76.3Confident120 Ų120121.9 Ų121.956%0.56162%0.619SS**Hα-helixtrans-63.5-41.5178.1-160.4170-152.700111.3E64 L70 E71 D72E64-E68 PolarHBondContact O-N 2.92Å; E68-L70 VanDerWaalsContact C-N 3.33Å; E68-L70 PolarHBondContact O-N 3.1Å; E68-E71 PolarHBondContact O-N 2.93Å; E68-D72 PolarHBondContact O-N 3.37Å
69V84.9Confident78.3Confident96 Ų96113.6 Ų113.658%0.58259%0.592SS**Hα-helixtrans-64.6-35.4174.1170.70000112.3P65 L67 K73P65-V69 WeakPolarHBondContact O-CB 3.49Å; P65-V69 WeakPolarHBondContact O-CG2 3.48Å; P65-V69 PolarHBondContact O-N 3.15Å; L67-V69 PolarHBondContact O-N 2.97Å; V69-K73 VanDerWaalsContact O-CB 3.29Å; V69-K73 WeakPolarHBondContact O-CB 3.48Å; V69-K73 PolarHBondContact O-N 3.05Å; V69-K73 VanDerWaalsContact O-N 3.11Å
70L89.6Confident80.6Confident94 Ų94112.4 Ų112.449%0.49259%0.586SS.*Hα-helixtrans-71.7-36.9175.1-74.9171.1000112.2E66 L67 E68 K73 L74E66-L70 HydrophobicContact CG-CD1 4.49Å; E66-L70 VanDerWaalsContact O-CG 3.29Å; E66-L70 WeakPolarHBondContact O-CG 3.46Å; E66-L70 PolarHBondContact O-N 3.07Å; E66-L70 VanDerWaalsContact O-N 3.13Å; L67-L70 PolarHBondContact O-N 2.77Å; E68-L70 VanDerWaalsContact C-N 3.33Å; E68-L70 PolarHBondContact O-N 3.1Å; L70-K73 PolarHBondContact O-N 3.16Å; L70-L74 WeakPolarHBondContact O-CB 3.35Å; L70-L74 PolarHBondContact O-N 3.3Å
71E88.7Confident82.6Confident136 Ų136109.3 Ų109.364%0.63657%0.568SS**Hα-helixtrans-64.8-47.4174.9-176.4165.3-148.300111.4L67 E68 K73 L74 Q75L67-E71 PolarHBondContact O-N 2.79Å; E68-E71 PolarHBondContact O-N 2.93Å; E71-K73 VanDerWaalsContact C-N 3.26Å; E71-K73 PolarHBondContact O-N 2.96Å; E71-L74 WeakPolarHBondContact O-CB 3.21Å; E71-L74 PolarHBondContact O-N 3.45Å; E71-L74 VanDerWaalsContact O-N 3.14Å; E71-Q75 WeakPolarHBondContact O-CB 3.45Å; E71-Q75 PolarHBondContact O-N 3.14Å
72D92.6Very high84.6Confident108 Ų108107.1 Ų107.158%0.57855%0.551SS**Hα-helixtrans-57.4-41.2173.5-82.2-18.3000112E68 Q75 A76E68-D72 PolarHBondContact O-N 3.37Å; D72-Q75 PolarHBondContact O-N 3.3Å; D72-A76 WeakPolarHBondContact O-CB 3.46Å; D72-A76 PolarHBondContact O-N 3.12Å
73K93.2Very high86.5Confident142 Ų142108.2 Ų108.262%0.61754%0.544SS*.Hα-helixtrans-67.1-40.3178.2-171.3175.8-177.2-179.80111.8V69 L70 E71 V77V69-K73 VanDerWaalsContact O-CB 3.29Å; V69-K73 WeakPolarHBondContact O-CB 3.48Å; V69-K73 PolarHBondContact O-N 3.05Å; V69-K73 VanDerWaalsContact O-N 3.11Å; L70-K73 PolarHBondContact O-N 3.16Å; E71-K73 VanDerWaalsContact C-N 3.26Å; E71-K73 PolarHBondContact O-N 2.96Å; K73-V77 WeakPolarHBondContact O-CG2 3.29Å; K73-V77 PolarHBondContact O-N 3.46Å
74L94.1Very high88.4Confident114 Ų114110.8 Ų110.860%0.59754%0.543SS*.Hα-helixtrans-62.9-46.9174.2-172102.3000110.4L70 E71 A76 V77 L78L70-L74 WeakPolarHBondContact O-CB 3.35Å; L70-L74 PolarHBondContact O-N 3.3Å; E71-L74 WeakPolarHBondContact O-CB 3.21Å; E71-L74 PolarHBondContact O-N 3.45Å; E71-L74 VanDerWaalsContact O-N 3.14Å; L74-A76 VanDerWaalsContact C-N 3.35Å; L74-A76 PolarHBondContact O-N 3.39Å; L74-V77 PolarHBondContact O-N 2.88Å; L74-V77 VanDerWaalsContact O-N 3.16Å; L74-L78 HydrophobicContact CD2-CD1 4.32Å; L74-L78 WeakPolarHBondContact O-CG 3.28Å; L74-L78 PolarHBondContact O-N 3.03Å
75Q94.8Very high90.3Very high93 Ų93110.2 Ų110.244%0.43554%0.54SS..Hα-helixtrans-60.1-44.2178.7-173.258.531.600111.5E71 D72 V77 L78 D79E71-Q75 WeakPolarHBondContact O-CB 3.45Å; E71-Q75 PolarHBondContact O-N 3.14Å; D72-Q75 PolarHBondContact O-N 3.3Å; Q75-V77 VanDerWaalsContact C-N 3.31Å; Q75-V77 PolarHBondContact O-N 2.98Å; Q75-L78 PolarHBondContact O-N 3.09Å; Q75-D79 PolarHBondContact NE2-OD2 3.18Å; Q75-D79 PolarHBondContact O-N 3.3Å
76A96Very high91.7Very high59 Ų59114.3 Ų114.349%0.48855%0.546SS..Hα-helixtrans-61.1-37.3176.300000112.9D72 L74 K80D72-A76 WeakPolarHBondContact O-CB 3.46Å; D72-A76 PolarHBondContact O-N 3.12Å; L74-A76 VanDerWaalsContact C-N 3.35Å; L74-A76 PolarHBondContact O-N 3.39Å; A76-K80 VanDerWaalsContact O-CB 3.27Å; A76-K80 WeakPolarHBondContact O-CB 3.42Å; A76-K80 PolarHBondContact O-N 3.22Å
77V95.9Very high92.9Very high93 Ų93110 Ų11056%0.56453%0.532SS*.Hα-helixtrans-67.1-44175.1171.40000110.8K73 L74 Q75 K80 E81K73-V77 WeakPolarHBondContact O-CG2 3.29Å; K73-V77 PolarHBondContact O-N 3.46Å; L74-V77 PolarHBondContact O-N 2.88Å; L74-V77 VanDerWaalsContact O-N 3.16Å; Q75-V77 VanDerWaalsContact C-N 3.31Å; Q75-V77 PolarHBondContact O-N 2.98Å; V77-K80 PolarHBondContact O-N 2.94Å; V77-E81 PolarHBondContact O-N 3.06Å
78L96.1Very high93.8Very high95 Ų95108.5 Ų108.550%0.49753%0.528SS..Hα-helixtrans-62.1-44.2176.9-69.5177.4000111.9L74 Q75 E81 K82L74-L78 HydrophobicContact CD2-CD1 4.32Å; L74-L78 WeakPolarHBondContact O-CG 3.28Å; L74-L78 PolarHBondContact O-N 3.03Å; Q75-L78 PolarHBondContact O-N 3.09Å; L78-E81 PolarHBondContact O-N 3.22Å; L78-K82 WeakPolarHBondContact O-CB 3.17Å; L78-K82 PolarHBondContact O-N 3.48Å
79D95.6Very high94.6Very high57 Ų57109.1 Ų109.131%0.30553%0.529SS..Hα-helixtrans-67.1-37.7178-78.5-32.9000112.4Q75 E81 K82 R83Q75-D79 PolarHBondContact NE2-OD2 3.18Å; Q75-D79 PolarHBondContact O-N 3.3Å; D79-E81 VanDerWaalsContact C-N 3.33Å; D79-K82 PolarHBondContact O-N 2.69Å; D79-R83 WeakPolarHBondContact O-CB 3.27Å; D79-R83 VanDerWaalsContact O-CG 3.24Å; D79-R83 WeakPolarHBondContact O-CG 3.31Å; D79-R83 PolarHBondContact O-N 3.04Å
80K96.4Very high95.2Very high161 Ų161109.7 Ų109.770%0.752%0.523SS*.Hα-helixtrans-61.8-43.5173.4-173.8176.9-177178.20111.2A76 V77 R83 R84A76-K80 VanDerWaalsContact O-CB 3.27Å; A76-K80 WeakPolarHBondContact O-CB 3.42Å; A76-K80 PolarHBondContact O-N 3.22Å; V77-K80 PolarHBondContact O-N 2.94Å; K80-R83 PolarHBondContact O-N 3.42Å; K80-R84 PolarHBondContact O-N 2.87Å
81E95.9Very high95.5Very high58 Ų58108.2 Ų108.227%0.27152%0.516SS..Hα-helixtrans-66.2-42.9176.2-175.854.4-14700111.3V77 L78 D79 R83 R84 Q85V77-E81 PolarHBondContact O-N 3.06Å; L78-E81 PolarHBondContact O-N 3.22Å; D79-E81 VanDerWaalsContact C-N 3.33Å; E81-R83 VanDerWaalsContact C-N 3.34Å; E81-R83 PolarHBondContact O-N 2.94Å; E81-R84 WeakPolarHBondContact O-CB 3.29Å; E81-R84 PolarHBondContact O-N 3.34Å; E81-R84 VanDerWaalsContact O-N 3.11Å; E81-R84 IonicContact OE1-CZ 3.33Å; E81-R84 IonicContact OE1-NE 3.18Å; E81-R84 PolarHBondContact OE1-NE 3.02Å; E81-R84 IonicContact OE1-NH2 3.03Å; E81-R84 PolarHBondContact OE1-NH2 2.72Å; E81-R84 IonicContact OE2-CZ 3.08Å; E81-R84 IonicContact OE2-NE 3.01Å; E81-R84 PolarHBondContact OE2-NE 2.89Å; E81-R84 IonicContact OE2-NH1 3.91Å; E81-R84 IonicContact OE2-NH2 2.67Å; E81-R84 PolarHBondContact OE2-NH2 2.89Å; E81-Q85 WeakPolarHBondContact O-CG 3.29Å; E81-Q85 PolarHBondContact O-N 3.27Å; E81-Q85 PolarHBondContact OE1-NE2 3.26Å
82K96Very high95.8Very high104 Ų104106.2 Ų106.245%0.45251%0.508SS..Hα-helixtrans-60.9-41.1175.4-167.4176.7-173.4178.60111.8L78 D79 Q85 R86L78-K82 WeakPolarHBondContact O-CB 3.17Å; L78-K82 PolarHBondContact O-N 3.48Å; D79-K82 PolarHBondContact O-N 2.69Å; K82-Q85 PolarHBondContact O-N 2.93Å; K82-R86 WeakPolarHBondContact O-CB 3.48Å; K82-R86 VanDerWaalsContact O-CG 3.22Å; K82-R86 WeakPolarHBondContact O-CG 3.41Å; K82-R86 PolarHBondContact O-N 3.26Å
83R96.1Very high96Very high178 Ų178104.7 Ų104.767%0.67250%0.499SS*.Hα-helixtrans-63-41.2173-73.5172.9-167.1172.56.1111.6D79 K80 E81 R86 S87D79-R83 WeakPolarHBondContact O-CB 3.27Å; D79-R83 VanDerWaalsContact O-CG 3.24Å; D79-R83 WeakPolarHBondContact O-CG 3.31Å; D79-R83 PolarHBondContact O-N 3.04Å; K80-R83 PolarHBondContact O-N 3.42Å; E81-R83 VanDerWaalsContact C-N 3.34Å; E81-R83 PolarHBondContact O-N 2.94Å; R83-R86 PolarHBondContact O-N 3.24Å; R83-S87 PolarHBondContact O-N 3.17Å; R83-S87 PolarHBondContact O-OG 3.05Å
84R96.2Very high96Very high151 Ų151104.5 Ų104.557%0.5750%0.495SS*.Hα-helixtrans-62.4-47175-170.2-179.175.6160.83.6111.4K80 E81 R86 S87 V88K80-R84 PolarHBondContact O-N 2.87Å; E81-R84 WeakPolarHBondContact O-CB 3.29Å; E81-R84 PolarHBondContact O-N 3.34Å; E81-R84 VanDerWaalsContact O-N 3.11Å; E81-R84 IonicContact OE1-CZ 3.33Å; E81-R84 IonicContact OE1-NE 3.18Å; E81-R84 PolarHBondContact OE1-NE 3.02Å; E81-R84 IonicContact OE1-NH2 3.03Å; E81-R84 PolarHBondContact OE1-NH2 2.72Å; E81-R84 IonicContact OE2-CZ 3.08Å; E81-R84 IonicContact OE2-NE 3.01Å; E81-R84 PolarHBondContact OE2-NE 2.89Å; E81-R84 IonicContact OE2-NH1 3.91Å; E81-R84 IonicContact OE2-NH2 2.67Å; E81-R84 PolarHBondContact OE2-NH2 2.89Å; R84-R86 PolarHBondContact O-N 3.47Å; R84-S87 PolarHBondContact O-N 3.32Å; R84-S87 PolarHBondContact O-OG 2.77Å; R84-V88 VanDerWaalsContact O-CG2 3.3Å; R84-V88 WeakPolarHBondContact O-CG2 3.3Å; R84-V88 PolarHBondContact O-N 3.08Å
85Q96.4Very high95.9Very high116 Ų116108.6 Ų108.654%0.54250%0.502SS..Hα-helixtrans-63.1-42.9177.8-69.5177.99.200111.7E81 K82 S87 V88 K89E81-Q85 WeakPolarHBondContact O-CG 3.29Å; E81-Q85 PolarHBondContact O-N 3.27Å; E81-Q85 PolarHBondContact OE1-NE2 3.26Å; K82-Q85 PolarHBondContact O-N 2.93Å; Q85-S87 PolarHBondContact O-N 3.48Å; Q85-V88 PolarHBondContact O-N 3.4Å; Q85-K89 VanDerWaalsContact O-CB 3.29Å; Q85-K89 WeakPolarHBondContact O-CB 3.21Å; Q85-K89 PolarHBondContact O-N 2.68Å
86R96.8Very high95.7Very high158 Ų158111.9 Ų111.960%0.59652%0.515SS*.Hα-helixtrans-59.7-45.2174.7-75.7171.8175.5-174.7-4.5112K82 R83 R84 K89 F90K82-R86 WeakPolarHBondContact O-CB 3.48Å; K82-R86 VanDerWaalsContact O-CG 3.22Å; K82-R86 WeakPolarHBondContact O-CG 3.41Å; K82-R86 PolarHBondContact O-N 3.26Å; R83-R86 PolarHBondContact O-N 3.24Å; R84-R86 PolarHBondContact O-N 3.47Å; R86-K89 PolarHBondContact O-N 3.15Å; R86-F90 WeakPolarHBondContact O-CB 3.43Å; R86-F90 PolarHBondContact O-N 3.21Å
87S97Very high95.4Very high56 Ų56116.2 Ų116.239%0.39253%0.527SS..Hα-helixtrans-69-38.9-179.871.20000112.5R83 R84 Q85 F90 N91R83-S87 PolarHBondContact O-N 3.17Å; R83-S87 PolarHBondContact O-OG 3.05Å; R84-S87 PolarHBondContact O-N 3.32Å; R84-S87 PolarHBondContact O-OG 2.77Å; Q85-S87 PolarHBondContact O-N 3.48Å; S87-F90 PolarHBondContact O-N 3Å; S87-N91 WeakPolarHBondContact O-CB 3.42Å; S87-N91 VanDerWaalsContact O-CG 3.24Å; S87-N91 PolarHBondContact O-N 3.21Å; S87-N91 PolarHBondContact O-ND2 3.12Å; S87-N91 VanDerWaalsContact O-ND2 3.1Å
88V97.2Very high95.1Very high89 Ų89115.6 Ų115.654%0.53952%0.523SS..Hα-helixtrans-63.6-49173.7172.10000110.5R84 Q85 F90 N91 M92R84-V88 VanDerWaalsContact O-CG2 3.3Å; R84-V88 WeakPolarHBondContact O-CG2 3.3Å; R84-V88 PolarHBondContact O-N 3.08Å; Q85-V88 PolarHBondContact O-N 3.4Å; V88-F90 VanDerWaalsContact C-N 3.33Å; V88-F90 PolarHBondContact O-N 2.88Å; V88-N91 PolarHBondContact O-N 3.03Å; V88-M92 WeakPolarHBondContact O-CB 3.43Å; V88-M92 PolarHBondContact O-N 3.18Å
89K97.5Very high94.6Very high134 Ų134116 Ų11658%0.58353%0.532SS*.Hα-helixtrans-59.7-44.8177.2-173.2177.9179.2-178.90110.9Q85 R86 M92 I93Q85-K89 VanDerWaalsContact O-CB 3.29Å; Q85-K89 WeakPolarHBondContact O-CB 3.21Å; Q85-K89 PolarHBondContact O-N 2.68Å; R86-K89 PolarHBondContact O-N 3.15Å; K89-M92 WeakPolarHBondContact O-CB 3.11Å; K89-M92 PolarHBondContact O-N 2.76Å; K89-I93 HydrophobicContact CG-CD1 3.95Å; K89-I93 VanDerWaalsContact O-CG1 3.3Å; K89-I93 WeakPolarHBondContact O-CG1 3.48Å; K89-I93 PolarHBondContact O-N 3.26Å
90F97.1Very high93.7Very high107 Ų107119.6 Ų119.647%0.46956%0.558SS.*Hα-helixtrans-60.7-46.7176.1175.5-102.2000112.4R86 S87 V88 M92 I93 R94R86-F90 WeakPolarHBondContact O-CB 3.43Å; R86-F90 PolarHBondContact O-N 3.21Å; S87-F90 PolarHBondContact O-N 3Å; V88-F90 VanDerWaalsContact C-N 3.33Å; V88-F90 PolarHBondContact O-N 2.88Å; F90-M92 VanDerWaalsContact C-N 3.3Å; F90-M92 PolarHBondContact O-N 3.37Å; F90-I93 PolarHBondContact O-N 3.25Å; F90-R94 VanDerWaalsContact CE1-CZ 3.41Å; F90-R94 WeakPolarHBondContact O-CB 3.35Å; F90-R94 PolarHBondContact O-N 3.32Å
91N95.6Very high93.1Very high64 Ų64115.3 Ų115.334%0.34256%0.559SS.*Hα-helixtrans-64-37.2176.9-75.8-34.9000112S87 V88 R95S87-N91 WeakPolarHBondContact O-CB 3.42Å; S87-N91 VanDerWaalsContact O-CG 3.24Å; S87-N91 PolarHBondContact O-N 3.21Å; S87-N91 PolarHBondContact O-ND2 3.12Å; S87-N91 VanDerWaalsContact O-ND2 3.1Å; V88-N91 PolarHBondContact O-N 3.03Å; N91-R95 WeakPolarHBondContact O-CB 3.41Å; N91-R95 WeakPolarHBondContact O-CG 3.42Å; N91-R95 PolarHBondContact O-N 3.29Å
92M96.1Very high92.5Very high94 Ų94116.7 Ų116.746%0.46358%0.581SS.*Hα-helixtrans-63.2-48.7173.7-178.8176.564.700111.1V88 K89 F90 R95 K96V88-M92 WeakPolarHBondContact O-CB 3.43Å; V88-M92 PolarHBondContact O-N 3.18Å; K89-M92 WeakPolarHBondContact O-CB 3.11Å; K89-M92 PolarHBondContact O-N 2.76Å; F90-M92 VanDerWaalsContact C-N 3.3Å; F90-M92 PolarHBondContact O-N 3.37Å; M92-R95 PolarHBondContact O-N 3.11Å; M92-K96 WeakPolarHBondContact O-CG 3.24Å; M92-K96 PolarHBondContact O-N 3.28Å; M92-K96 VanDerWaalsContact O-N 3.07Å
93I95.8Very high91.9Very high75 Ų75116.9 Ų116.939%0.38559%0.593SS.*Hα-helixtrans-60.7-48.4177-68.4166.2000110.3K89 F90 R95 K96 M97K89-I93 HydrophobicContact CG-CD1 3.95Å; K89-I93 VanDerWaalsContact O-CG1 3.3Å; K89-I93 WeakPolarHBondContact O-CG1 3.48Å; K89-I93 PolarHBondContact O-N 3.26Å; F90-I93 PolarHBondContact O-N 3.25Å; I93-R95 VanDerWaalsContact C-N 3.29Å; I93-R95 PolarHBondContact O-N 3.29Å; I93-K96 CarbonylContact O-C 3.43Å; I93-K96 WeakPolarHBondContact O-CA 3.35Å; I93-K96 PolarHBondContact O-N 3.17Å; I93-M97 HydrophobicContact CG2-CG 3.91Å; I93-M97 WeakPolarHBondContact O-CB 3.38Å; I93-M97 WeakPolarHBondContact O-CG 3.14Å; I93-M97 PolarHBondContact O-N 2.82Å
94R93.9Very high91.5Very high139 Ų139115 Ų11553%0.52559%0.592SS.*Hα-helixtrans-54.8-43.9177.5-178.3-173.7-76.7-169.9-12.3111.9F90 K96 M97 T98F90-R94 VanDerWaalsContact CE1-CZ 3.41Å; F90-R94 WeakPolarHBondContact O-CB 3.35Å; F90-R94 PolarHBondContact O-N 3.32Å; R94-K96 VanDerWaalsContact C-N 3.32Å; R94-K96 PolarHBondContact O-N 3.31Å; R94-M97 PolarHBondContact O-N 3.5Å; R94-T98 VanDerWaalsContact O-CB 3.26Å; R94-T98 WeakPolarHBondContact O-CB 3.43Å; R94-T98 PolarHBondContact O-N 3.3Å; R94-T98 PolarHBondContact O-OG1 3.08Å; R94-T98 VanDerWaalsContact O-OG1 3.13Å
95R91.1Very high91.3Very high200 Ų200111.2 Ų111.276%0.75558%0.577SS**Hα-helixtrans-66.5-31.6176.9-72.9171.7-171.3175.73.2113.2N91 M92 I93N91-R95 WeakPolarHBondContact O-CB 3.41Å; N91-R95 WeakPolarHBondContact O-CG 3.42Å; N91-R95 PolarHBondContact O-N 3.29Å; M92-R95 PolarHBondContact O-N 3.11Å; I93-R95 VanDerWaalsContact C-N 3.29Å; I93-R95 PolarHBondContact O-N 3.29Å
96K91.6Very high91.1Very high161 Ų161111.3 Ų111.370%0.758%0.576SS**Hα-helixtrans-76.8-36.7176.4-71.1-177.5177.2-169.50112.1M92 I93 R94M92-K96 WeakPolarHBondContact O-CG 3.24Å; M92-K96 PolarHBondContact O-N 3.28Å; M92-K96 VanDerWaalsContact O-N 3.07Å; I93-K96 CarbonylContact O-C 3.43Å; I93-K96 WeakPolarHBondContact O-CA 3.35Å; I93-K96 PolarHBondContact O-N 3.17Å; R94-K96 VanDerWaalsContact C-N 3.32Å; R94-K96 PolarHBondContact O-N 3.31Å
97M90.4Very high91Very high150 Ų150104.3 Ų104.374%0.73955%0.55SS**Hα-helixtrans-88.3-32.1-174.9-64.7-56.5-171.200113.7I93 R94I93-M97 HydrophobicContact CG2-CG 3.91Å; I93-M97 WeakPolarHBondContact O-CB 3.38Å; I93-M97 WeakPolarHBondContact O-CG 3.14Å; I93-M97 PolarHBondContact O-N 2.82Å; R94-M97 PolarHBondContact O-N 3.5Å
98T89.1Confident90.9Very high80 Ų80103 Ų10349%0.49154%0.54SS..SBendtrans-92.1128.9178.9-52.40000109.4R94R94-T98 VanDerWaalsContact O-CB 3.26Å; R94-T98 WeakPolarHBondContact O-CB 3.43Å; R94-T98 PolarHBondContact O-N 3.3Å; R94-T98 PolarHBondContact O-OG1 3.08Å; R94-T98 VanDerWaalsContact O-OG1 3.13Å
99P84.4Confident90.9Very high104 Ų10499.4 Ų99.468%0.67552%0.517SS*.PPolyproline II helixtrans-56.5138.5177.822.8-33.1000110.3G101P99-G101 PolarHBondContact O-N 3.37Å
100P78.3Confident90.8Very high132 Ų13297.4 Ų97.486%0.85751%0.512SS*.SBendtrans-66.1133.2-17425.6-33.7000111.1
101G82.5Confident90.8Very high71 Ų7192.8 Ų92.873%0.73249%0.494SS*.SBendtrans111.6176.6169.300000114.7P99P99-G101 PolarHBondContact O-N 3.37Å
102A82.9Confident90.8Very high88 Ų8890.3 Ų90.373%0.72748%0.481SS*.SBendtrans-68.2151.4177.100000110.9Q104A102-Q104 PolarHBondContact O-N 3.47Å
103P84.8Confident90.8Very high108 Ų10889.9 Ų89.970%0.70148%0.478SS*.PPolyproline II helixtrans-48.6136.1174.4-2834.7000111.8
104Q87.6Confident90.9Very high138 Ų13890.3 Ų90.365%0.64548%0.478SS*.PPolyproline II helixtrans-72.1132.5-176.9-66-167.11500110.7A102 R167A102-Q104 PolarHBondContact O-N 3.47Å; Q104-R167 VanDerWaalsContact OE1-CZ 3.31Å
105R90.8Very high91Very high71 Ų7183.7 Ų83.727%0.26845%0.453SS..PPolyproline II helixtrans-75.1126.1175.7-172.9177.217593.11.4109.7L107 T108 W109 I112 D161 V164R105-L107 WeakPolarHBondContact CG-O 3.28Å; R105-L107 VanDerWaalsContact CZ-O 3.27Å; R105-L107 PolarHBondContact NE-O 3.18Å; R105-L107 PolarHBondContact NH2-O 2.86Å; R105-T108 VanDerWaalsContact NH2-C 3.3Å; R105-T108 PolarHBondContact NH2-O 3.03Å; R105-W109 VanDerWaalsContact NH2-CA 3.32Å; R105-W109 VanDerWaalsContact NH2-N 3.19Å; R105-I112 VanDerWaalsContact NH1-CD1 3.34Å; R105-D161 IonicContact NH2-OD1 3.83Å; R105-V164 HydrophobicContact CB-CG2 4.12Å; R105-V164 HydrophobicContact CG-CG2 3.79Å
106K92.5Very high91.3Very high118 Ų11876.9 Ų76.951%0.51343%0.427SS..  trans-101.7-27177.6-62.7-175176.8-1750113.4V137 V164K106-V137 HydrophobicContact CB-CG1 3.88Å; K106-V137 HydrophobicContact CD-CG1 4.18Å; K106-V164 WeakPolarHBondContact O-CG1 3.41Å
107L94.6Very high91.6Very high11 Ų1175.9 Ų75.96%0.05842%0.42CS..SBendtrans-104.5143.3-174.5-62.1170.6000111.9R105 A111 I112 I115 F135 V137 V141 V145R105-L107 WeakPolarHBondContact CG-O 3.28Å; R105-L107 VanDerWaalsContact CZ-O 3.27Å; R105-L107 PolarHBondContact NE-O 3.18Å; R105-L107 PolarHBondContact NH2-O 2.86Å; L107-A111 HydrophobicContact CB-CB 4.42Å; L107-A111 HydrophobicContact CD2-CB 4.35Å; L107-I112 HydrophobicContact CB-CD1 4.47Å; L107-I112 HydrophobicContact CB-CG1 3.94Å; L107-I112 HydrophobicContact CD1-CG1 4.2Å; L107-I115 HydrophobicContact CD1-CD1 3.57Å; L107-I115 HydrophobicContact CD2-CD1 4.44Å; L107-F135 HydrophobicContact CD2-CB 3.99Å; L107-F135 HydrophobicContact CD2-CD1 4.31Å; L107-V137 HydrophobicContact CD1-CG1 4.46Å; L107-V137 HydrophobicContact CD1-CG2 4.41Å; L107-V137 HydrophobicContact CD2-CG1 3.67Å; L107-V137 HydrophobicContact CD2-CG2 4.31Å; L107-V137 HydrophobicContact CG-CG1 3.94Å; L107-V141 HydrophobicContact CD1-CG1 3.88Å; L107-V145 HydrophobicContact CD1-CG2 4.2Å
108T96Very high91.8Very high29 Ų2970.7 Ų70.718%0.17840%0.395CS..  trans-71.6165166.256.10000110.7R105 D110 A111 I112 D161 V164 M165R105-T108 VanDerWaalsContact NH2-C 3.3Å; R105-T108 PolarHBondContact NH2-O 3.03Å; T108-D110 VanDerWaalsContact C-N 3.34Å; T108-A111 PolarHBondContact O-N 3.3Å; T108-A111 WeakPolarHBondContact OG1-CB 3.34Å; T108-A111 PolarHBondContact OG1-N 2.85Å; T108-I112 WeakPolarHBondContact O-CG1 3.48Å; T108-I112 PolarHBondContact O-N 3.02Å; T108-I112 VanDerWaalsContact O-N 3.15Å; T108-D161 VanDerWaalsContact CA-OD1 3.28Å; T108-D161 WeakPolarHBondContact CA-OD1 3.32Å; T108-D161 HydrophobicContact CG2-CB 4.41Å; T108-V164 HydrophobicContact CG2-CB 4.38Å; T108-V164 HydrophobicContact CG2-CG1 4Å; T108-M165 HydrophobicContact CG2-CG 4.47Å; T108-M165 HydrophobicContact CG2-SD 4Å
109W95.9Very high92.2Very high14 Ų1469.4 Ų69.45%0.05338%0.383CS..Hα-helixtrans-64.6-40.7178.1-172.9-95.2000112.1R105 I112 E113 F150 T151 P152 K157 D161R105-W109 VanDerWaalsContact NH2-CA 3.32Å; R105-W109 VanDerWaalsContact NH2-N 3.19Å; W109-I112 HydrophobicContact CE3-CD1 4.49Å; W109-I112 HydrophobicContact CH2-CG2 4.47Å; W109-I112 HydrophobicContact CZ3-CG2 4.33Å; W109-I112 WeakPolarHBondContact O-CB 3.43Å; W109-I112 PolarHBondContact O-N 2.93Å; W109-E113 HydrophobicContact CZ2-CG 4.43Å; W109-E113 PolarHBondContact NE1-OE1 3.08Å; W109-E113 PolarHBondContact O-N 3.04Å; W109-F150 VanDerWaalsContact CH2-O 3.26Å; W109-F150 WeakPolarHBondContact CH2-O 3.28Å; W109-T151 HydrophobicContact CZ2-CG2 3.98Å; W109-P152 HydrophobicContact CD2-CG 4.39Å; W109-P152 HydrophobicContact CE3-CG 3.86Å; W109-P152 HydrophobicContact CH2-CG 4.33Å; W109-P152 HydrophobicContact CZ3-CG 3.85Å; W109-K157 HydrophobicContact CB-CB 4.47Å; W109-K157 HydrophobicContact CB-CG 4.42Å; W109-K157 HydrophobicContact CD2-CD 4.11Å; W109-K157 HydrophobicContact CD2-CG 4.12Å; W109-K157 VanDerWaalsContact CE2-CE 3.45Å; W109-K157 HydrophobicContact CG-CB 4.44Å; W109-K157 HydrophobicContact CG-CD 3.78Å; W109-K157 HydrophobicContact CG-CG 3.91Å; W109-D161 VanDerWaalsContact CB-OD2 3.24Å; W109-D161 WeakPolarHBondContact CB-OD2 3.47Å; W109-D161 VanDerWaalsContact N-CG 3.3Å; W109-D161 PolarHBondContact N-OD1 3.08Å; W109-D161 PolarHBondContact N-OD2 3.49Å
110D95.8Very high92.7Very high91 Ų9171.6 Ų71.649%0.48738%0.384SS..Hα-helixtrans-58.8-47.9174.5-177.738.2000111.6T108 I112 E113 Q114T108-D110 VanDerWaalsContact C-N 3.34Å; D110-I112 VanDerWaalsContact C-N 3.27Å; D110-I112 PolarHBondContact O-N 3.43Å; D110-E113 PolarHBondContact O-N 3.03Å; D110-Q114 VanDerWaalsContact CG-NE2 3.26Å; D110-Q114 WeakPolarHBondContact O-CG 3.48Å; D110-Q114 PolarHBondContact O-N 3.29Å; D110-Q114 PolarHBondContact OD1-NE2 2.94Å; D110-Q114 PolarHBondContact OD2-NE2 3.19Å
111A96.4Very high93.5Very high11 Ų1170.7 Ų70.79%0.09137%0.369CS..Hα-helixtrans-59-37.5175.200000112.8L107 T108 Q114 I115 F135L107-A111 HydrophobicContact CB-CB 4.42Å; L107-A111 HydrophobicContact CD2-CB 4.35Å; T108-A111 PolarHBondContact O-N 3.3Å; T108-A111 WeakPolarHBondContact OG1-CB 3.34Å; T108-A111 PolarHBondContact OG1-N 2.85Å; A111-Q114 PolarHBondContact O-N 3.36Å; A111-I115 WeakPolarHBondContact O-CD1 3.42Å; A111-I115 VanDerWaalsContact O-CG1 3.24Å; A111-I115 WeakPolarHBondContact O-CG1 3.26Å; A111-I115 PolarHBondContact O-N 3.21Å; A111-F135 HydrophobicContact CB-CD1 4.04Å; A111-F135 HydrophobicContact CB-CE1 3.91Å
112I96.5Very high94.1Very high12 Ų1271.6 Ų71.66%0.06235%0.354CS..Hα-helixtrans-63.9-42.8175-73.9-175.6000111.7R105 L107 T108 W109 D110 I115 R116 V145R105-I112 VanDerWaalsContact NH1-CD1 3.34Å; L107-I112 HydrophobicContact CB-CD1 4.47Å; L107-I112 HydrophobicContact CB-CG1 3.94Å; L107-I112 HydrophobicContact CD1-CG1 4.2Å; T108-I112 WeakPolarHBondContact O-CG1 3.48Å; T108-I112 PolarHBondContact O-N 3.02Å; T108-I112 VanDerWaalsContact O-N 3.15Å; W109-I112 HydrophobicContact CE3-CD1 4.49Å; W109-I112 HydrophobicContact CH2-CG2 4.47Å; W109-I112 HydrophobicContact CZ3-CG2 4.33Å; W109-I112 WeakPolarHBondContact O-CB 3.43Å; W109-I112 PolarHBondContact O-N 2.93Å; D110-I112 VanDerWaalsContact C-N 3.27Å; D110-I112 PolarHBondContact O-N 3.43Å; I112-I115 PolarHBondContact O-N 3.46Å; I112-R116 WeakPolarHBondContact O-CG 3.24Å; I112-R116 PolarHBondContact O-N 3.37Å; I112-R116 VanDerWaalsContact O-N 3.12Å; I112-V145 HydrophobicContact CB-CG1 4.49Å; I112-V145 HydrophobicContact CD1-CG2 4.13Å; I112-V145 HydrophobicContact CG1-CG2 4Å; I112-V145 HydrophobicContact CG2-CG1 3.87Å
113E96.3Very high94.7Very high84 Ų8471 Ų7139%0.39334%0.342SS..Hα-helixtrans-66.7-40.6177.2-74.9-179.2166.800111.2W109 D110 I115 R116 Y117 K157W109-E113 HydrophobicContact CZ2-CG 4.43Å; W109-E113 PolarHBondContact NE1-OE1 3.08Å; W109-E113 PolarHBondContact O-N 3.04Å; D110-E113 PolarHBondContact O-N 3.03Å; E113-I115 PolarHBondContact O-N 3.29Å; E113-R116 PolarHBondContact O-N 3.14Å; E113-Y117 WeakPolarHBondContact O-CB 3.42Å; E113-Y117 PolarHBondContact O-N 3.48Å; E113-K157 IonicContact OE1-NZ 2.73Å
114Q97.1Very high95.1Very high85 Ų8574.3 Ų74.340%0.39735%0.349SS..Hα-helixtrans-59.7-45.5173.8-69.517420.900111.9D110 A111 R116 Y117 L118 F135D110-Q114 VanDerWaalsContact CG-NE2 3.26Å; D110-Q114 WeakPolarHBondContact O-CG 3.48Å; D110-Q114 PolarHBondContact O-N 3.29Å; D110-Q114 PolarHBondContact OD1-NE2 2.94Å; D110-Q114 PolarHBondContact OD2-NE2 3.19Å; A111-Q114 PolarHBondContact O-N 3.36Å; Q114-R116 VanDerWaalsContact C-N 3.32Å; Q114-R116 PolarHBondContact O-N 3.34Å; Q114-Y117 PolarHBondContact O-N 3.39Å; Q114-L118 WeakPolarHBondContact O-CB 3.41Å; Q114-L118 VanDerWaalsContact O-CG 3.27Å; Q114-L118 WeakPolarHBondContact O-CG 3.41Å; Q114-L118 PolarHBondContact O-N 3.48Å; Q114-F135 HydrophobicContact CB-CZ 4.13Å
115I97.3Very high95.4Very high0 Ų072.1 Ų72.10%034%0.338CS..Hα-helixtrans-57.3-46.8175.4-71.6160.4000111.1L107 A111 I112 E113 Y117 K119 L131 F135 I142 V145 L146L107-I115 HydrophobicContact CD1-CD1 3.57Å; L107-I115 HydrophobicContact CD2-CD1 4.44Å; A111-I115 WeakPolarHBondContact O-CD1 3.42Å; A111-I115 VanDerWaalsContact O-CG1 3.24Å; A111-I115 WeakPolarHBondContact O-CG1 3.26Å; A111-I115 PolarHBondContact O-N 3.21Å; I112-I115 PolarHBondContact O-N 3.46Å; E113-I115 PolarHBondContact O-N 3.29Å; I115-Y117 VanDerWaalsContact C-N 3.33Å; I115-Y117 PolarHBondContact O-N 3.24Å; I115-K119 WeakPolarHBondContact O-CB 3.45Å; I115-K119 PolarHBondContact O-N 2.87Å; I115-L131 HydrophobicContact CG2-CD1 4.3Å; I115-F135 HydrophobicContact CD1-CD1 4.17Å; I115-F135 HydrophobicContact CD1-CD2 3.98Å; I115-F135 HydrophobicContact CD1-CE1 4.39Å; I115-F135 HydrophobicContact CD1-CE2 4.22Å; I115-F135 HydrophobicContact CD1-CG 3.96Å; I115-F135 HydrophobicContact CD1-CZ 4.42Å; I115-F135 HydrophobicContact CG1-CD1 4.24Å; I115-F135 HydrophobicContact CG1-CD2 3.57Å; I115-F135 HydrophobicContact CG1-CE1 4.05Å; I115-F135 HydrophobicContact CG1-CE2 3.36Å; I115-F135 HydrophobicContact CG1-CG 4.02Å; I115-F135 HydrophobicContact CG1-CZ 3.62Å; I115-I142 HydrophobicContact CD1-CD1 3.66Å; I115-I142 HydrophobicContact CG1-CD1 4.28Å; I115-I142 HydrophobicContact CG2-CD1 4.35Å; I115-I142 HydrophobicContact CG2-CG2 4.33Å; I115-V145 HydrophobicContact CB-CG1 4.3Å; I115-V145 HydrophobicContact CG2-CG1 3.9Å; I115-L146 HydrophobicContact CG2-CD2 4.14Å
116R97Very high95.6Very high56 Ų5671.2 Ų71.221%0.21134%0.335CS..Hα-helixtrans-62.5-42.7179-72.9175.5178.9164.8-0.8111.3I112 E113 Q114 Q120 V145 S148 F150I112-R116 WeakPolarHBondContact O-CG 3.24Å; I112-R116 PolarHBondContact O-N 3.37Å; I112-R116 VanDerWaalsContact O-N 3.12Å; E113-R116 PolarHBondContact O-N 3.14Å; Q114-R116 VanDerWaalsContact C-N 3.32Å; Q114-R116 PolarHBondContact O-N 3.34Å; R116-Q120 VanDerWaalsContact O-CB 3.28Å; R116-Q120 WeakPolarHBondContact O-CB 3.26Å; R116-Q120 PolarHBondContact O-N 3.28Å; R116-V145 HydrophobicContact CG-CG1 4.21Å; R116-S148 PolarHBondContact NH2-O 3.15Å; R116-F150 PolarHBondContact NH2-O 3.11Å
117Y96.9Very high95.8Very high140 Ų14068.4 Ų68.455%0.54933%0.328SS..Hα-helixtrans-62.9-52.4178.2179.4-98.7000111.7E113 Q114 I115 K119 Q120 E121E113-Y117 WeakPolarHBondContact O-CB 3.42Å; E113-Y117 PolarHBondContact O-N 3.48Å; Q114-Y117 PolarHBondContact O-N 3.39Å; I115-Y117 VanDerWaalsContact C-N 3.33Å; I115-Y117 PolarHBondContact O-N 3.24Å; Y117-K119 VanDerWaalsContact C-N 3.3Å; Y117-K119 PolarHBondContact O-N 3.44Å; Y117-Q120 PolarHBondContact O-N 2.99Å; Y117-E121 HydrophobicContact CD1-CG 4.24Å; Y117-E121 HydrophobicContact CD2-CG 4.14Å; Y117-E121 HydrophobicContact CE1-CG 3.81Å; Y117-E121 HydrophobicContact CE2-CG 3.71Å; Y117-E121 HydrophobicContact CG-CG 4.39Å; Y117-E121 WeakPolarHBondContact O-CG 3.49Å; Y117-E121 PolarHBondContact O-N 2.99Å
118L96.3Very high96Very high41 Ų4170.5 Ų70.522%0.21534%0.338CS..Hα-helixtrans-57.8-43.1-179.9-69173.8000111.9Q114 Q120 Q122 W126 L131 F135Q114-L118 WeakPolarHBondContact O-CB 3.41Å; Q114-L118 VanDerWaalsContact O-CG 3.27Å; Q114-L118 WeakPolarHBondContact O-CG 3.41Å; Q114-L118 PolarHBondContact O-N 3.48Å; L118-Q120 VanDerWaalsContact C-N 3.31Å; L118-Q120 PolarHBondContact O-N 2.84Å; L118-Q122 PolarHBondContact O-N 3.19Å; L118-W126 HydrophobicContact CB-CB 4.5Å; L118-W126 HydrophobicContact CB-CD2 4.18Å; L118-W126 HydrophobicContact CB-CG 3.94Å; L118-W126 HydrophobicContact CD1-CD2 4.27Å; L118-W126 HydrophobicContact CD1-CE3 4.41Å; L118-W126 HydrophobicContact CD1-CH2 4.4Å; L118-W126 HydrophobicContact CD1-CZ2 4.28Å; L118-W126 HydrophobicContact CD1-CZ3 4.46Å; L118-W126 HydrophobicContact CD2-CZ2 4.11Å; L118-L131 HydrophobicContact CB-CD2 4.19Å; L118-L131 HydrophobicContact CD1-CD2 4.09Å; L118-F135 HydrophobicContact CD1-CE2 4.17Å; L118-F135 HydrophobicContact CD1-CZ 4.31Å
119K96.2Very high96Very high53 Ų5375 Ų7523%0.2336%0.357CS..Hα-helixtrans-68.6-31.4178.4-169.661.2177.9173.30113I115 Y117 P123 W126 L131 L146I115-K119 WeakPolarHBondContact O-CB 3.45Å; I115-K119 PolarHBondContact O-N 2.87Å; Y117-K119 VanDerWaalsContact C-N 3.3Å; Y117-K119 PolarHBondContact O-N 3.44Å; K119-P123 PolarHBondContact NZ-O 2.98Å; K119-P123 WeakPolarHBondContact O-CA 3.24Å; K119-W126 WeakPolarHBondContact CD-O 3.5Å; K119-W126 PolarHBondContact NZ-O 3.13Å; K119-L131 HydrophobicContact CB-CD1 4.26Å; K119-L131 HydrophobicContact CD-CD1 4.21Å; K119-L146 HydrophobicContact CB-CD1 4.46Å; K119-L146 HydrophobicContact CB-CD2 3.73Å; K119-L146 HydrophobicContact CD-CD1 4.39Å; K119-L146 HydrophobicContact CG-CD1 3.86Å; K119-L146 HydrophobicContact CG-CD2 3.86Å
120Q95.1Very high96.1Very high151 Ų15179.5 Ų79.571%0.70637%0.374SS*.Hα-helixtrans-74.1-43.3178.8179.2173.8-10.300111.9R116 Y117 L118R116-Q120 VanDerWaalsContact O-CB 3.28Å; R116-Q120 WeakPolarHBondContact O-CB 3.26Å; R116-Q120 PolarHBondContact O-N 3.28Å; Y117-Q120 PolarHBondContact O-N 2.99Å; L118-Q120 VanDerWaalsContact C-N 3.31Å; L118-Q120 PolarHBondContact O-N 2.84Å
121E96Very high96.1Very high113 Ų11375.2 Ų75.253%0.52835%0.351SS..Hα-helixtrans-73.6-41.3-178.6-66.8-59.6130.600112.1Y117Y117-E121 HydrophobicContact CD1-CG 4.24Å; Y117-E121 HydrophobicContact CD2-CG 4.14Å; Y117-E121 HydrophobicContact CE1-CG 3.81Å; Y117-E121 HydrophobicContact CE2-CG 3.71Å; Y117-E121 HydrophobicContact CG-CG 4.39Å; Y117-E121 WeakPolarHBondContact O-CG 3.49Å; Y117-E121 PolarHBondContact O-N 2.99Å
122Q94.8Very high96.2Very high90 Ų9075.1 Ų75.142%0.42135%0.351SS..  trans-139.875.5-171.2-75.4175.4-12.400110.8L118 E124 E125 W126L118-Q122 PolarHBondContact O-N 3.19Å; Q122-E124 VanDerWaalsContact C-N 3.29Å; Q122-E124 PolarHBondContact O-N 3.3Å; Q122-E125 HydrophobicContact CB-CB 4.27Å; Q122-W126 WeakPolarHBondContact O-CB 3.23Å; Q122-W126 PolarHBondContact O-N 3.19Å
123P93.9Very high96.2Very high75 Ų7582.1 Ų82.149%0.48738%0.383SS..THydrogen-bonded Turntrans-68.1-27.5-175.326-34.5000113.8K119K119-P123 PolarHBondContact NZ-O 2.98Å; K119-P123 WeakPolarHBondContact O-CA 3.24Å
124E93.6Very high96.2Very high178 Ų17880.9 Ų80.983%0.83239%0.393SS*.THydrogen-bonded Turntrans-78-43179.7-171.7171.5-170.600111.7Q122Q122-E124 VanDerWaalsContact C-N 3.29Å; Q122-E124 PolarHBondContact O-N 3.3Å
125E94Very high96.1Very high91 Ų9178.9 Ų78.943%0.42538%0.383SS..THydrogen-bonded Turntrans-76.3-40.7-179.7-173.3166.9-175.300112.5Q122 T127 R130Q122-E125 HydrophobicContact CB-CB 4.27Å; E125-T127 PolarHBondContact O-N 3.32Å; E125-R130 WeakPolarHBondContact O-CD 3.49Å; E125-R130 IonicContact OE1-CZ 3.71Å; E125-R130 IonicContact OE1-NH1 3.13Å; E125-R130 PolarHBondContact OE1-NH1 3.1Å; E125-R130 VanDerWaalsContact OE1-NH1 3.13Å; E125-R130 IonicContact OE1-NH2 3.45Å; E125-R130 PolarHBondContact OE1-NH2 2.84Å
126W95.7Very high96Very high52 Ų5284.3 Ų84.320%0.19742%0.421CS..SBendtrans-91.473.7176.4-64.899.9000110.6L118 K119 Q122 R130 L131L118-W126 HydrophobicContact CB-CB 4.5Å; L118-W126 HydrophobicContact CB-CD2 4.18Å; L118-W126 HydrophobicContact CB-CG 3.94Å; L118-W126 HydrophobicContact CD1-CD2 4.27Å; L118-W126 HydrophobicContact CD1-CE3 4.41Å; L118-W126 HydrophobicContact CD1-CH2 4.4Å; L118-W126 HydrophobicContact CD1-CZ2 4.28Å; L118-W126 HydrophobicContact CD1-CZ3 4.46Å; L118-W126 HydrophobicContact CD2-CZ2 4.11Å; K119-W126 WeakPolarHBondContact CD-O 3.5Å; K119-W126 PolarHBondContact NZ-O 3.13Å; Q122-W126 WeakPolarHBondContact O-CB 3.23Å; Q122-W126 PolarHBondContact O-N 3.19Å; W126-R130 HydrophobicContact CE3-CG 4.1Å; W126-R130 HydrophobicContact CZ3-CG 4.13Å; W126-L131 HydrophobicContact CB-CD1 4.19Å; W126-L131 HydrophobicContact CB-CD2 4.14Å; W126-L131 HydrophobicContact CB-CG 4.04Å; W126-L131 HydrophobicContact CD2-CD2 4.17Å; W126-L131 HydrophobicContact CE3-CD2 3.67Å; W126-L131 HydrophobicContact CE3-CG 4.16Å; W126-L131 HydrophobicContact CG-CD2 4.37Å; W126-L131 HydrophobicContact CZ3-CD2 4.45Å
127T96.9Very high95.9Very high60 Ų6082.3 Ų82.337%0.36842%0.415SS..  trans-61.2159.2167.5660000110.4E125 E129 R130 L131E125-T127 PolarHBondContact O-N 3.32Å; T127-E129 PolarHBondContact O-N 3.28Å; T127-R130 PolarHBondContact O-N 3.39Å; T127-R130 WeakPolarHBondContact OG1-CB 3.26Å; T127-R130 PolarHBondContact OG1-N 3.04Å; T127-L131 PolarHBondContact O-N 3.47Å
128I97.4Very high95.9Very high54 Ų5478.2 Ų78.228%0.27741%0.406SS..Hα-helixtrans-59.1-36.4179.7-64.3153.5000110.3A132 Q139 I142 L143I128-A132 VanDerWaalsContact O-CB 3.29Å; I128-A132 WeakPolarHBondContact O-CB 3.36Å; I128-A132 PolarHBondContact O-N 3.47Å; I128-Q139 HydrophobicContact CG2-CB 3.9Å; I128-Q139 HydrophobicContact CG2-CG 4.29Å; I128-I142 HydrophobicContact CG2-CB 4.22Å; I128-I142 HydrophobicContact CG2-CG2 4.12Å; I128-L143 HydrophobicContact CD1-CD2 3.56Å; I128-L143 HydrophobicContact CD1-CG 4.46Å; I128-L143 HydrophobicContact CG1-CD2 4.15Å; I128-L143 HydrophobicContact CG2-CD2 4.37Å; I128-L143 HydrophobicContact CG2-CG 4.17Å
129E97.3Very high95.9Very high123 Ų12380.6 Ų80.658%0.57542%0.416SS*.Hα-helixtrans-67.1-46179.2-45.6-167.4144.100111.6T127 L131 A132 E133T127-E129 PolarHBondContact O-N 3.28Å; E129-L131 VanDerWaalsContact C-N 3.33Å; E129-L131 PolarHBondContact O-N 2.92Å; E129-A132 WeakPolarHBondContact O-CB 3.32Å; E129-A132 PolarHBondContact O-N 3.26Å; E129-A132 VanDerWaalsContact O-N 3.12Å; E129-E133 PolarHBondContact O-N 3.22Å
130R96.8Very high95.9Very high110 Ų11081.7 Ų81.742%0.41542%0.424SS..Hα-helixtrans-66.1-35.8178.7-168.9165.5179.6-166-6.4112.5E125 W126 T127 G134E125-R130 WeakPolarHBondContact O-CD 3.49Å; E125-R130 IonicContact OE1-CZ 3.71Å; E125-R130 IonicContact OE1-NH1 3.13Å; E125-R130 PolarHBondContact OE1-NH1 3.1Å; E125-R130 VanDerWaalsContact OE1-NH1 3.13Å; E125-R130 IonicContact OE1-NH2 3.45Å; E125-R130 PolarHBondContact OE1-NH2 2.84Å; W126-R130 HydrophobicContact CE3-CG 4.1Å; W126-R130 HydrophobicContact CZ3-CG 4.13Å; T127-R130 PolarHBondContact O-N 3.39Å; T127-R130 WeakPolarHBondContact OG1-CB 3.26Å; T127-R130 PolarHBondContact OG1-N 3.04Å; R130-G134 PolarHBondContact O-N 3.26Å
131L97.1Very high95.9Very high0 Ų076 Ų760%040%0.399CS..Hα-helixtrans-68-39.8171.5-71.9168.4000111.7I115 L118 K119 W126 T127 E129 E133 F135 I142I115-L131 HydrophobicContact CG2-CD1 4.3Å; L118-L131 HydrophobicContact CB-CD2 4.19Å; L118-L131 HydrophobicContact CD1-CD2 4.09Å; K119-L131 HydrophobicContact CB-CD1 4.26Å; K119-L131 HydrophobicContact CD-CD1 4.21Å; W126-L131 HydrophobicContact CB-CD1 4.19Å; W126-L131 HydrophobicContact CB-CD2 4.14Å; W126-L131 HydrophobicContact CB-CG 4.04Å; W126-L131 HydrophobicContact CD2-CD2 4.17Å; W126-L131 HydrophobicContact CE3-CD2 3.67Å; W126-L131 HydrophobicContact CE3-CG 4.16Å; W126-L131 HydrophobicContact CG-CD2 4.37Å; W126-L131 HydrophobicContact CZ3-CD2 4.45Å; T127-L131 PolarHBondContact O-N 3.47Å; E129-L131 VanDerWaalsContact C-N 3.33Å; E129-L131 PolarHBondContact O-N 2.92Å; L131-E133 VanDerWaalsContact C-N 3.34Å; L131-F135 HydrophobicContact CD2-CD2 4.45Å; L131-F135 HydrophobicContact CD2-CE2 4.03Å; L131-F135 VanDerWaalsContact O-CD2 3.29Å; L131-F135 WeakPolarHBondContact O-CD2 3.49Å; L131-F135 PolarHBondContact O-N 3.45Å; L131-F135 VanDerWaalsContact O-N 3.15Å; L131-I142 HydrophobicContact CB-CD1 4.2Å; L131-I142 HydrophobicContact CB-CG1 4.3Å; L131-I142 HydrophobicContact CB-CG2 4.01Å; L131-I142 HydrophobicContact CD1-CG2 4.09Å
132A97.5Very high96Very high9 Ų970.6 Ų70.67%0.07437%0.374CS..Hα-helixtrans-60.8-45.7176.500000111.3I128 E129 S136 V137 Q139 I142I128-A132 VanDerWaalsContact O-CB 3.29Å; I128-A132 WeakPolarHBondContact O-CB 3.36Å; I128-A132 PolarHBondContact O-N 3.47Å; E129-A132 WeakPolarHBondContact O-CB 3.32Å; E129-A132 PolarHBondContact O-N 3.26Å; E129-A132 VanDerWaalsContact O-N 3.12Å; A132-S136 PolarHBondContact O-N 3.45Å; A132-V137 CarbonylContact C-O 3.55Å; A132-V137 VanDerWaalsContact CA-O 3.29Å; A132-V137 WeakPolarHBondContact CA-O 3.49Å; A132-V137 WeakPolarHBondContact CB-O 3.37Å; A132-V137 PolarHBondContact O-N 3.15Å; A132-V137 VanDerWaalsContact O-O 3.08Å; A132-Q139 HydrophobicContact CB-CB 4.49Å; A132-Q139 HydrophobicContact CB-CG 3.82Å; A132-I142 HydrophobicContact CB-CG1 4.15Å
133E96.9Very high96.1Very high159 Ų15969.8 Ų69.874%0.74337%0.372SS*.Hα-helixtrans-64.4-50.8176.4-172.5177.4-175.100112.1E129 L131 F135 S136E129-E133 PolarHBondContact O-N 3.22Å; L131-E133 VanDerWaalsContact C-N 3.34Å; E133-F135 PolarHBondContact O-N 3.32Å; E133-F135 VanDerWaalsContact O-N 3.16Å; E133-S136 PolarHBondContact O-N 2.95Å; E133-S136 VanDerWaalsContact O-N 3.1Å
134G96.2Very high96.1Very high58 Ų5872.9 Ų72.960%0.59837%0.374SS*.Hα-helixtrans-62.5-26.1-177.200000114.5R130R130-G134 PolarHBondContact O-N 3.26Å
135F95.5Very high96.2Very high44 Ų4465 Ų6519%0.19334%0.338CS..THydrogen-bonded Turntrans-106.97178-69.7-86.4000113.6L107 A111 Q114 I115 L118 L131 E133 V137L107-F135 HydrophobicContact CD2-CB 3.99Å; L107-F135 HydrophobicContact CD2-CD1 4.31Å; A111-F135 HydrophobicContact CB-CD1 4.04Å; A111-F135 HydrophobicContact CB-CE1 3.91Å; Q114-F135 HydrophobicContact CB-CZ 4.13Å; I115-F135 HydrophobicContact CD1-CD1 4.17Å; I115-F135 HydrophobicContact CD1-CD2 3.98Å; I115-F135 HydrophobicContact CD1-CE1 4.39Å; I115-F135 HydrophobicContact CD1-CE2 4.22Å; I115-F135 HydrophobicContact CD1-CG 3.96Å; I115-F135 HydrophobicContact CD1-CZ 4.42Å; I115-F135 HydrophobicContact CG1-CD1 4.24Å; I115-F135 HydrophobicContact CG1-CD2 3.57Å; I115-F135 HydrophobicContact CG1-CE1 4.05Å; I115-F135 HydrophobicContact CG1-CE2 3.36Å; I115-F135 HydrophobicContact CG1-CG 4.02Å; I115-F135 HydrophobicContact CG1-CZ 3.62Å; L118-F135 HydrophobicContact CD1-CE2 4.17Å; L118-F135 HydrophobicContact CD1-CZ 4.31Å; L131-F135 HydrophobicContact CD2-CD2 4.45Å; L131-F135 HydrophobicContact CD2-CE2 4.03Å; L131-F135 VanDerWaalsContact O-CD2 3.29Å; L131-F135 WeakPolarHBondContact O-CD2 3.49Å; L131-F135 PolarHBondContact O-N 3.45Å; L131-F135 VanDerWaalsContact O-N 3.15Å; E133-F135 PolarHBondContact O-N 3.32Å; E133-F135 VanDerWaalsContact O-N 3.16Å; F135-V137 VanDerWaalsContact C-N 3.27Å; F135-V137 HydrophobicContact CB-CG2 3.93Å; F135-V137 PolarHBondContact O-N 3.5Å
136S94.7Very high96.3Very high114 Ų11463.1 Ų63.180%0.79733%0.331SS*.THydrogen-bonded Turntrans49.343.7-178.1-57.40000113.7A132 E133A132-S136 PolarHBondContact O-N 3.45Å; E133-S136 PolarHBondContact O-N 2.95Å; E133-S136 VanDerWaalsContact O-N 3.1Å
137V95.7Very high96.3Very high13 Ų1366.8 Ų66.88%0.07935%0.354CS..  trans-129.8151.6180-71.70000111.3K106 L107 A132 F135 V141 I142K106-V137 HydrophobicContact CB-CG1 3.88Å; K106-V137 HydrophobicContact CD-CG1 4.18Å; L107-V137 HydrophobicContact CD1-CG1 4.46Å; L107-V137 HydrophobicContact CD1-CG2 4.41Å; L107-V137 HydrophobicContact CD2-CG1 3.67Å; L107-V137 HydrophobicContact CD2-CG2 4.31Å; L107-V137 HydrophobicContact CG-CG1 3.94Å; A132-V137 CarbonylContact C-O 3.55Å; A132-V137 VanDerWaalsContact CA-O 3.29Å; A132-V137 WeakPolarHBondContact CA-O 3.49Å; A132-V137 WeakPolarHBondContact CB-O 3.37Å; A132-V137 PolarHBondContact O-N 3.15Å; A132-V137 VanDerWaalsContact O-O 3.08Å; F135-V137 VanDerWaalsContact C-N 3.27Å; F135-V137 HydrophobicContact CB-CG2 3.93Å; F135-V137 PolarHBondContact O-N 3.5Å; V137-V141 HydrophobicContact CB-CB 4.41Å; V137-V141 HydrophobicContact CB-CG1 4.43Å; V137-I142 HydrophobicContact CG2-CD1 3.53Å; V137-I142 HydrophobicContact CG2-CG1 3.97Å
138P95.8Very high96.2Very high55 Ų5566.3 Ų66.336%0.35735%0.354SS..  trans-65.9151.8175.328.1-35.6000111.8D140 V141P138-D140 WeakPolarHBondContact CB-OD1 3.45Å; P138-D140 WeakPolarHBondContact CG-OD1 3.29Å; P138-D140 PolarHBondContact O-N 2.82Å; P138-V141 HydrophobicContact CG-CB 4.47Å; P138-V141 HydrophobicContact CG-CG2 3.81Å; P138-V141 WeakPolarHBondContact O-CB 3.43Å; P138-V141 PolarHBondContact O-N 3.1Å
139Q97.2Very high95.9Very high91 Ų9173.1 Ų73.143%0.42538%0.381SS..Hα-helixtrans-57.1-32.9-176.5-62.1-17716.700113I128 A132 V141 I142 L143I128-Q139 HydrophobicContact CG2-CB 3.9Å; I128-Q139 HydrophobicContact CG2-CG 4.29Å; A132-Q139 HydrophobicContact CB-CB 4.49Å; A132-Q139 HydrophobicContact CB-CG 3.82Å; Q139-V141 VanDerWaalsContact C-N 3.25Å; Q139-V141 PolarHBondContact O-N 3.18Å; Q139-I142 WeakPolarHBondContact O-CB 3.46Å; Q139-I142 PolarHBondContact O-N 3.48Å; Q139-I142 VanDerWaalsContact O-N 3.14Å; Q139-L143 PolarHBondContact O-N 3.28Å
140D96Very high95.7Very high75 Ų7572.5 Ų72.540%0.40138%0.377SS..Hα-helixtrans-61.2-33.3178.380.5-56.3000112.5P138 R144P138-D140 WeakPolarHBondContact CB-OD1 3.45Å; P138-D140 WeakPolarHBondContact CG-OD1 3.29Å; P138-D140 PolarHBondContact O-N 2.82Å; D140-R144 VanDerWaalsContact O-CB 3.3Å; D140-R144 WeakPolarHBondContact O-CB 3.3Å; D140-R144 PolarHBondContact O-N 3.44Å; D140-R144 IonicContact OD2-NH2 2.89Å; D140-R144 PolarHBondContact OD2-NH2 3.02Å
141V95.6Very high95.5Very high32 Ų3271.3 Ų71.319%0.19438%0.382CS..Hα-helixtrans-70-42.4176.5173.20000110L107 V137 P138 Q139 R144 V145L107-V141 HydrophobicContact CD1-CG1 3.88Å; V137-V141 HydrophobicContact CB-CB 4.41Å; V137-V141 HydrophobicContact CB-CG1 4.43Å; P138-V141 HydrophobicContact CG-CB 4.47Å; P138-V141 HydrophobicContact CG-CG2 3.81Å; P138-V141 WeakPolarHBondContact O-CB 3.43Å; P138-V141 PolarHBondContact O-N 3.1Å; Q139-V141 VanDerWaalsContact C-N 3.25Å; Q139-V141 PolarHBondContact O-N 3.18Å; V141-R144 WeakPolarHBondContact O-CB 3.4Å; V141-R144 PolarHBondContact O-N 3.31Å; V141-V145 WeakPolarHBondContact O-CG2 3.43Å; V141-V145 PolarHBondContact O-N 2.8Å
142I96.9Very high95.2Very high0 Ų071.7 Ų71.70%038%0.384CS..Hα-helixtrans-61.6-48.9176.2-59.7-58.9000110.4I115 I128 L131 A132 V137 Q139 R144 V145 L146I115-I142 HydrophobicContact CD1-CD1 3.66Å; I115-I142 HydrophobicContact CG1-CD1 4.28Å; I115-I142 HydrophobicContact CG2-CD1 4.35Å; I115-I142 HydrophobicContact CG2-CG2 4.33Å; I128-I142 HydrophobicContact CG2-CB 4.22Å; I128-I142 HydrophobicContact CG2-CG2 4.12Å; L131-I142 HydrophobicContact CB-CD1 4.2Å; L131-I142 HydrophobicContact CB-CG1 4.3Å; L131-I142 HydrophobicContact CB-CG2 4.01Å; L131-I142 HydrophobicContact CD1-CG2 4.09Å; A132-I142 HydrophobicContact CB-CG1 4.15Å; V137-I142 HydrophobicContact CG2-CD1 3.53Å; V137-I142 HydrophobicContact CG2-CG1 3.97Å; Q139-I142 WeakPolarHBondContact O-CB 3.46Å; Q139-I142 PolarHBondContact O-N 3.48Å; Q139-I142 VanDerWaalsContact O-N 3.14Å; I142-R144 VanDerWaalsContact C-N 3.27Å; I142-R144 PolarHBondContact O-N 2.87Å; I142-V145 WeakPolarHBondContact O-CB 3.48Å; I142-V145 PolarHBondContact O-N 3.46Å; I142-V145 VanDerWaalsContact O-N 3.09Å; I142-L146 HydrophobicContact CG2-CD1 3.99Å; I142-L146 HydrophobicContact CG2-CG 4.43Å; I142-L146 WeakPolarHBondContact O-CG 3.28Å; I142-L146 PolarHBondContact O-N 3.07Å
143L96.4Very high95.1Very high72 Ų7274.5 Ų74.538%0.37740%0.404SS..Hα-helixtrans-55.2-44.2175.3-73.6174000111.7I128 Q139 V145 L146 N147I128-L143 HydrophobicContact CD1-CD2 3.56Å; I128-L143 HydrophobicContact CD1-CG 4.46Å; I128-L143 HydrophobicContact CG1-CD2 4.15Å; I128-L143 HydrophobicContact CG2-CD2 4.37Å; I128-L143 HydrophobicContact CG2-CG 4.17Å; Q139-L143 PolarHBondContact O-N 3.28Å; L143-V145 VanDerWaalsContact C-N 3.33Å; L143-V145 PolarHBondContact O-N 2.87Å; L143-L146 PolarHBondContact O-N 3.28Å; L143-N147 VanDerWaalsContact O-CB 3.31Å; L143-N147 WeakPolarHBondContact O-CB 3.38Å; L143-N147 PolarHBondContact O-N 3.27Å; L143-N147 PolarHBondContact O-ND2 3.42Å
144R95.6Very high95.1Very high140 Ų14071.9 Ų71.953%0.52840%0.4SS..Hα-helixtrans-65.2-36.2178.6-159.1-177.7-48.2-152.45.9112.7D140 V141 I142 S148D140-R144 VanDerWaalsContact O-CB 3.3Å; D140-R144 WeakPolarHBondContact O-CB 3.3Å; D140-R144 PolarHBondContact O-N 3.44Å; D140-R144 IonicContact OD2-NH2 2.89Å; D140-R144 PolarHBondContact OD2-NH2 3.02Å; V141-R144 WeakPolarHBondContact O-CB 3.4Å; V141-R144 PolarHBondContact O-N 3.31Å; I142-R144 VanDerWaalsContact C-N 3.27Å; I142-R144 PolarHBondContact O-N 2.87Å; R144-S148 WeakPolarHBondContact O-CB 3.37Å; R144-S148 PolarHBondContact O-N 3.05Å; R144-S148 VanDerWaalsContact O-N 3.08Å
145V95.8Very high95.1Very high13 Ų1373.9 Ų73.98%0.07940%0.397CS..Hα-helixtrans-65.5-46.3175.8161.30000111.2L107 I112 I115 R116 V141 I142 L143 S148L107-V145 HydrophobicContact CD1-CG2 4.2Å; I112-V145 HydrophobicContact CB-CG1 4.49Å; I112-V145 HydrophobicContact CD1-CG2 4.13Å; I112-V145 HydrophobicContact CG1-CG2 4Å; I112-V145 HydrophobicContact CG2-CG1 3.87Å; I115-V145 HydrophobicContact CB-CG1 4.3Å; I115-V145 HydrophobicContact CG2-CG1 3.9Å; R116-V145 HydrophobicContact CG-CG1 4.21Å; V141-V145 WeakPolarHBondContact O-CG2 3.43Å; V141-V145 PolarHBondContact O-N 2.8Å; I142-V145 WeakPolarHBondContact O-CB 3.48Å; I142-V145 PolarHBondContact O-N 3.46Å; I142-V145 VanDerWaalsContact O-N 3.09Å; L143-V145 VanDerWaalsContact C-N 3.33Å; L143-V145 PolarHBondContact O-N 2.87Å; V145-S148 PolarHBondContact O-N 3.13Å
146L95.3Very high95Very high51 Ų5177.8 Ų77.827%0.26741%0.411SS..Hα-helixtrans-69.8-37.4-178.8-65.2174.6000112I115 K119 I142 L143I115-L146 HydrophobicContact CG2-CD2 4.14Å; K119-L146 HydrophobicContact CB-CD1 4.46Å; K119-L146 HydrophobicContact CB-CD2 3.73Å; K119-L146 HydrophobicContact CD-CD1 4.39Å; K119-L146 HydrophobicContact CG-CD1 3.86Å; K119-L146 HydrophobicContact CG-CD2 3.86Å; I142-L146 HydrophobicContact CG2-CD1 3.99Å; I142-L146 HydrophobicContact CG2-CG 4.43Å; I142-L146 WeakPolarHBondContact O-CG 3.28Å; I142-L146 PolarHBondContact O-N 3.07Å; L143-L146 PolarHBondContact O-N 3.28Å
147N96.3Very high95.1Very high130 Ų13074.6 Ų74.670%0.69538%0.382SS*.Hα-helixtrans-74.1-28177.8-69.8-17.5000113L143L143-N147 VanDerWaalsContact O-CB 3.31Å; L143-N147 WeakPolarHBondContact O-CB 3.38Å; L143-N147 PolarHBondContact O-N 3.27Å; L143-N147 PolarHBondContact O-ND2 3.42Å
148S93.8Very high95.1Very high50 Ų5079 Ų7935%0.3541%0.409SS..  trans-84.7125.8-177.4-178.90000111.9R116 R144 V145 F150R116-S148 PolarHBondContact NH2-O 3.15Å; R144-S148 WeakPolarHBondContact O-CB 3.37Å; R144-S148 PolarHBondContact O-N 3.05Å; R144-S148 VanDerWaalsContact O-N 3.08Å; V145-S148 PolarHBondContact O-N 3.13Å; S148-F150 WeakPolarHBondContact OG-CB 3.48Å; S148-F150 PolarHBondContact OG-N 2.91Å
149K92.4Very high95.1Very high197 Ų19783.1 Ų83.186%0.85742%0.421SS*.  trans-95.38.1170.7-60.2-177.9-179.4-179.80113.4T151K149-T151 PolarHBondContact O-N 3.41Å
150F91.8Very high95Very high109 Ų10981.2 Ų81.248%0.47841%0.412SS..  trans-67.7135.1-176.3176.9-107000111.1W109 R116 S148 P152W109-F150 VanDerWaalsContact CH2-O 3.26Å; W109-F150 WeakPolarHBondContact CH2-O 3.28Å; R116-F150 PolarHBondContact NH2-O 3.11Å; S148-F150 WeakPolarHBondContact OG-CB 3.48Å; S148-F150 PolarHBondContact OG-N 2.91Å; F150-P152 HydrophobicContact CE1-CB 3.65Å; F150-P152 HydrophobicContact CE1-CG 3.94Å; F150-P152 HydrophobicContact CZ-CB 3.87Å
151T92.2Very high95Very high85 Ų8579.1 Ų79.152%0.52140%0.401SS..  trans-130.2107.4175.1-56.90000109.1W109 K149W109-T151 HydrophobicContact CZ2-CG2 3.98Å; K149-T151 PolarHBondContact O-N 3.41Å
152P91.4Very high95Very high8 Ų880.1 Ų80.15%0.05241%0.413CS..  trans-72.2162.4-179.225.6-27.9000112.3W109 F150 R156 K157W109-P152 HydrophobicContact CD2-CG 4.39Å; W109-P152 HydrophobicContact CE3-CG 3.86Å; W109-P152 HydrophobicContact CH2-CG 4.33Å; W109-P152 HydrophobicContact CZ3-CG 3.85Å; F150-P152 HydrophobicContact CE1-CB 3.65Å; F150-P152 HydrophobicContact CE1-CG 3.94Å; F150-P152 HydrophobicContact CZ-CB 3.87Å; P152-R156 HydrophobicContact CB-CB 4.29Å; P152-R156 HydrophobicContact CB-CG 4.22Å; P152-K157 HydrophobicContact CB-CG 4.47Å; P152-K157 HydrophobicContact CG-CG 3.78Å; P152-K157 VanDerWaalsContact O-CE 3.23Å; P152-K157 WeakPolarHBondContact O-CE 3.48Å
153S96.2Very high94.8Very high69 Ų6986.5 Ų86.548%0.48344%0.44SS..  trans-62.2151.9172.966.40000111.8N155 R156 K157S153-N155 PolarHBondContact O-N 2.96Å; S153-R156 WeakPolarHBondContact O-CA 3.22Å; S153-R156 WeakPolarHBondContact O-CB 3.37Å; S153-R156 PolarHBondContact O-N 3.01Å; S153-R156 WeakPolarHBondContact OG-CB 3.29Å; S153-K157 PolarHBondContact O-N 3.43Å
154P95.7Very high94.8Very high103 Ų10383.2 Ų83.267%0.66942%0.424SS*.Hα-helixtrans-60.1-41-173.620.5-32.4000113.4R156 K157 V158P154-R156 PolarHBondContact O-N 3.49Å; P154-K157 WeakPolarHBondContact O-CB 3.17Å; P154-K157 PolarHBondContact O-N 3.35Å; P154-V158 PolarHBondContact O-N 3.49Å
155N96.3Very high94.6Very high101 Ų10181.8 Ų81.854%0.5442%0.424SS..Hα-helixtrans-60.9-36.1175.7-167.7-81.4000111.9S153 K159S153-N155 PolarHBondContact O-N 2.96Å; N155-K159 WeakPolarHBondContact O-CG 3.24Å; N155-K159 PolarHBondContact O-N 3.37Å; N155-K159 WeakPolarHBondContact OD1-CE 3.3Å; N155-K159 PolarHBondContact OD1-NZ 3.11Å
156R95Very high94.5Very high126 Ų12684.8 Ų84.848%0.47544%0.443SS..Hα-helixtrans-71.9-36.9178-173.2174.4178.5-179.21.8111.8P152 S153 P154 K159 Q160P152-R156 HydrophobicContact CB-CB 4.29Å; P152-R156 HydrophobicContact CB-CG 4.22Å; S153-R156 WeakPolarHBondContact O-CA 3.22Å; S153-R156 WeakPolarHBondContact O-CB 3.37Å; S153-R156 PolarHBondContact O-N 3.01Å; S153-R156 WeakPolarHBondContact OG-CB 3.29Å; P154-R156 PolarHBondContact O-N 3.49Å; R156-K159 PolarHBondContact O-N 3.09Å; R156-Q160 HydrophobicContact CG-CG 4.44Å; R156-Q160 WeakPolarHBondContact O-CB 3.46Å; R156-Q160 VanDerWaalsContact O-CG 3.3Å; R156-Q160 WeakPolarHBondContact O-CG 3.41Å; R156-Q160 PolarHBondContact O-N 2.99Å
157K95.4Very high94.2Very high47 Ų4785.7 Ų85.720%0.20444%0.442CS..Hα-helixtrans-55.8-54.7173.2-67.9177.9179.7-167.50110.6W109 E113 P152 S153 P154 K159 Q160 D161W109-K157 HydrophobicContact CB-CB 4.47Å; W109-K157 HydrophobicContact CB-CG 4.42Å; W109-K157 HydrophobicContact CD2-CD 4.11Å; W109-K157 HydrophobicContact CD2-CG 4.12Å; W109-K157 VanDerWaalsContact CE2-CE 3.45Å; W109-K157 HydrophobicContact CG-CB 4.44Å; W109-K157 HydrophobicContact CG-CD 3.78Å; W109-K157 HydrophobicContact CG-CG 3.91Å; E113-K157 IonicContact OE1-NZ 2.73Å; P152-K157 HydrophobicContact CB-CG 4.47Å; P152-K157 HydrophobicContact CG-CG 3.78Å; P152-K157 VanDerWaalsContact O-CE 3.23Å; P152-K157 WeakPolarHBondContact O-CE 3.48Å; S153-K157 PolarHBondContact O-N 3.43Å; P154-K157 WeakPolarHBondContact O-CB 3.17Å; P154-K157 PolarHBondContact O-N 3.35Å; K157-K159 VanDerWaalsContact C-N 3.34Å; K157-K159 PolarHBondContact O-N 3.12Å; K157-Q160 PolarHBondContact O-N 3.49Å; K157-Q160 VanDerWaalsContact O-N 3.08Å; K157-D161 PolarHBondContact O-N 3.33Å
158V96.3Very high93.9Very high105 Ų10583.3 Ų83.364%0.63643%0.429SS*.Hα-helixtrans-57-45.4-178.6177.40000112P154 Q160 D161 A162P154-V158 PolarHBondContact O-N 3.49Å; V158-Q160 PolarHBondContact O-N 3.01Å; V158-D161 PolarHBondContact O-N 3.5Å; V158-A162 VanDerWaalsContact O-CB 3.29Å; V158-A162 WeakPolarHBondContact O-CB 3.34Å; V158-A162 PolarHBondContact O-N 3.27Å
159K95.7Very high93.5Very high142 Ų14284.2 Ų84.262%0.61744%0.435SS*.Hα-helixtrans-63.6-40.4177.9-73.7175.4175.7166.90112.8N155 R156 K157 K163N155-K159 WeakPolarHBondContact O-CG 3.24Å; N155-K159 PolarHBondContact O-N 3.37Å; N155-K159 WeakPolarHBondContact OD1-CE 3.3Å; N155-K159 PolarHBondContact OD1-NZ 3.11Å; R156-K159 PolarHBondContact O-N 3.09Å; K157-K159 VanDerWaalsContact C-N 3.34Å; K157-K159 PolarHBondContact O-N 3.12Å; K159-K163 PolarHBondContact O-N 2.75Å
160Q94.3Very high93.2Very high50 Ų5081 Ų8123%0.23442%0.423CS..Hα-helixtrans-69.7-43.7179.4-74.6-179.4-17.300111.2R156 K157 V158 K163 V164R156-Q160 HydrophobicContact CG-CG 4.44Å; R156-Q160 WeakPolarHBondContact O-CB 3.46Å; R156-Q160 VanDerWaalsContact O-CG 3.3Å; R156-Q160 WeakPolarHBondContact O-CG 3.41Å; R156-Q160 PolarHBondContact O-N 2.99Å; K157-Q160 PolarHBondContact O-N 3.49Å; K157-Q160 VanDerWaalsContact O-N 3.08Å; V158-Q160 PolarHBondContact O-N 3.01Å; Q160-K163 WeakPolarHBondContact O-CB 3.47Å; Q160-K163 PolarHBondContact O-N 3.24Å; Q160-V164 WeakPolarHBondContact O-CG2 3.47Å; Q160-V164 PolarHBondContact O-N 3.49Å
161D96.1Very high92.5Very high32 Ų3283.2 Ų83.217%0.17144%0.435CS..Hα-helixtrans-67.8-41.2-179.9-70.2-9.4000111.3R105 T108 W109 K157 V158 K163 V164 M165R105-D161 IonicContact NH2-OD1 3.83Å; T108-D161 VanDerWaalsContact CA-OD1 3.28Å; T108-D161 WeakPolarHBondContact CA-OD1 3.32Å; T108-D161 HydrophobicContact CG2-CB 4.41Å; W109-D161 VanDerWaalsContact CB-OD2 3.24Å; W109-D161 WeakPolarHBondContact CB-OD2 3.47Å; W109-D161 VanDerWaalsContact N-CG 3.3Å; W109-D161 PolarHBondContact N-OD1 3.08Å; W109-D161 PolarHBondContact N-OD2 3.49Å; K157-D161 PolarHBondContact O-N 3.33Å; V158-D161 PolarHBondContact O-N 3.5Å; D161-K163 VanDerWaalsContact C-N 3.26Å; D161-K163 PolarHBondContact O-N 2.88Å; D161-V164 WeakPolarHBondContact O-CB 3.38Å; D161-V164 PolarHBondContact O-N 2.96Å; D161-M165 WeakPolarHBondContact O-CG 3.09Å; D161-M165 PolarHBondContact O-N 3.3Å
162A95.6Very high91.6Very high53 Ų5383 Ų8344%0.43844%0.442SS..Hα-helixtrans-55.7-42171.300000111.9V158 V164 M165 V166V158-A162 VanDerWaalsContact O-CB 3.29Å; V158-A162 WeakPolarHBondContact O-CB 3.34Å; V158-A162 PolarHBondContact O-N 3.27Å; A162-V164 VanDerWaalsContact C-N 3.33Å; A162-V164 PolarHBondContact O-N 2.86Å; A162-M165 PolarHBondContact O-N 2.73Å; A162-V166 WeakPolarHBondContact O-CB 3.22Å; A162-V166 VanDerWaalsContact O-CG2 3.26Å; A162-V166 WeakPolarHBondContact O-CG2 3.2Å; A162-V166 PolarHBondContact O-N 2.95Å
163K94Very high90.1Very high133 Ų13388.6 Ų88.658%0.57847%0.471SS*.Hα-helixtrans-65.5-35.1176.6-173.8173.4-177174.40112.8K159 Q160 D161 R167K159-K163 PolarHBondContact O-N 2.75Å; Q160-K163 WeakPolarHBondContact O-CB 3.47Å; Q160-K163 PolarHBondContact O-N 3.24Å; D161-K163 VanDerWaalsContact C-N 3.26Å; D161-K163 PolarHBondContact O-N 2.88Å; K163-R167 WeakPolarHBondContact O-CG 3.46Å; K163-R167 PolarHBondContact O-N 2.98Å
164V94.8Very high88Confident4 Ų490 Ų902%0.02448%0.479CS..Hα-helixtrans-69.7-48.5175.8172.70000110.1R105 K106 T108 Q160 D161 A162 V166 R167 L168R105-V164 HydrophobicContact CB-CG2 4.12Å; R105-V164 HydrophobicContact CG-CG2 3.79Å; K106-V164 WeakPolarHBondContact O-CG1 3.41Å; T108-V164 HydrophobicContact CG2-CB 4.38Å; T108-V164 HydrophobicContact CG2-CG1 4Å; Q160-V164 WeakPolarHBondContact O-CG2 3.47Å; Q160-V164 PolarHBondContact O-N 3.49Å; D161-V164 WeakPolarHBondContact O-CB 3.38Å; D161-V164 PolarHBondContact O-N 2.96Å; A162-V164 VanDerWaalsContact C-N 3.33Å; A162-V164 PolarHBondContact O-N 2.86Å; V164-V166 VanDerWaalsContact C-N 3.34Å; V164-V166 PolarHBondContact O-N 3.42Å; V164-R167 WeakPolarHBondContact O-CB 3.28Å; V164-R167 PolarHBondContact O-N 2.8Å; V164-L168 HydrophobicContact CG1-CD1 3.82Å; V164-L168 HydrophobicContact CG1-CG 4.24Å; V164-L168 WeakPolarHBondContact O-CG 3.5Å; V164-L168 PolarHBondContact O-N 2.89Å
165M93.1Very high86.1Confident109 Ų10990.6 Ų90.654%0.53749%0.485SS..Hα-helixtrans-59.5-42.2179.9-67.3-55.9-68.700112.5T108 D161 A162 R167 L168 S169T108-M165 HydrophobicContact CG2-CG 4.47Å; T108-M165 HydrophobicContact CG2-SD 4Å; D161-M165 WeakPolarHBondContact O-CG 3.09Å; D161-M165 PolarHBondContact O-N 3.3Å; A162-M165 PolarHBondContact O-N 2.73Å; M165-R167 PolarHBondContact O-N 2.66Å; M165-L168 PolarHBondContact O-N 3.44Å; M165-L168 HydrophobicContact SD-CD1 4.22Å; M165-S169 WeakPolarHBondContact O-CB 3.48Å; M165-S169 PolarHBondContact O-N 3.18Å; M165-S169 PolarHBondContact O-OG 3.21Å
166V93.3Very high83.9Confident77 Ų7792.7 Ų92.747%0.46750%0.496SS..Hα-helixtrans-60.6-32.4175.8166.60000112.4A162 V164 S169 Q170A162-V166 WeakPolarHBondContact O-CB 3.22Å; A162-V166 VanDerWaalsContact O-CG2 3.26Å; A162-V166 WeakPolarHBondContact O-CG2 3.2Å; A162-V166 PolarHBondContact O-N 2.95Å; V164-V166 VanDerWaalsContact C-N 3.34Å; V164-V166 PolarHBondContact O-N 3.42Å; V166-S169 WeakPolarHBondContact CA-OG 3.42Å; V166-S169 PolarHBondContact O-OG 3.13Å; V166-Q170 VanDerWaalsContact O-CG 3.24Å; V166-Q170 WeakPolarHBondContact O-CG 3.42Å; V166-Q170 PolarHBondContact O-N 3.43Å; V166-Q170 PolarHBondContact O-NE2 2.88Å; V166-Q170 VanDerWaalsContact O-NE2 3.08Å
167R89.2Confident81.9Confident69 Ų6990.7 Ų90.726%0.2650%0.501SS..Hα-helixtrans-80-39.7177.7-73173.4166.4-153.3-14.2112.2Q104 K163 V164 M165 S169 Q170 Q171Q104-R167 VanDerWaalsContact OE1-CZ 3.31Å; K163-R167 WeakPolarHBondContact O-CG 3.46Å; K163-R167 PolarHBondContact O-N 2.98Å; V164-R167 WeakPolarHBondContact O-CB 3.28Å; V164-R167 PolarHBondContact O-N 2.8Å; M165-R167 PolarHBondContact O-N 2.66Å; R167-S169 VanDerWaalsContact C-N 3.32Å; R167-Q170 PolarHBondContact O-N 3.37Å; R167-Q171 WeakPolarHBondContact O-CG 3.45Å; R167-Q171 PolarHBondContact O-N 2.99Å
168L88.4Confident79.6Confident81 Ų8199.8 Ų99.842%0.42453%0.534SS..Hα-helixtrans-61.8-43.6174.5-69.9173.1000110.5V164 M165 Q170 Q171 A172V164-L168 HydrophobicContact CG1-CD1 3.82Å; V164-L168 HydrophobicContact CG1-CG 4.24Å; V164-L168 WeakPolarHBondContact O-CG 3.5Å; V164-L168 PolarHBondContact O-N 2.89Å; M165-L168 PolarHBondContact O-N 3.44Å; M165-L168 HydrophobicContact SD-CD1 4.22Å; L168-Q170 VanDerWaalsContact C-N 3.29Å; L168-Q170 PolarHBondContact O-N 2.87Å; L168-Q171 PolarHBondContact O-N 3.28Å; L168-A172 PolarHBondContact O-N 3.35Å
169S86.6Confident77.3Confident68 Ų68106.3 Ų106.348%0.47655%0.548SS..Hα-helixtrans-64.2-33176.165.90000113M165 V166 R167M165-S169 WeakPolarHBondContact O-CB 3.48Å; M165-S169 PolarHBondContact O-N 3.18Å; M165-S169 PolarHBondContact O-OG 3.21Å; V166-S169 WeakPolarHBondContact CA-OG 3.42Å; V166-S169 PolarHBondContact O-OG 3.13Å; R167-S169 VanDerWaalsContact C-N 3.32Å
170Q84.8Confident74.9Confident129 Ų129108 Ų10860%0.60356%0.558SS**Hα-helixtrans-72.5-33.5175-77.5171.853.900112.9V166 R167 L168V166-Q170 VanDerWaalsContact O-CG 3.24Å; V166-Q170 WeakPolarHBondContact O-CG 3.42Å; V166-Q170 PolarHBondContact O-N 3.43Å; V166-Q170 PolarHBondContact O-NE2 2.88Å; V166-Q170 VanDerWaalsContact O-NE2 3.08Å; R167-Q170 PolarHBondContact O-N 3.37Å; L168-Q170 VanDerWaalsContact C-N 3.29Å; L168-Q170 PolarHBondContact O-N 2.87Å
171Q77.9Confident72.9Confident157 Ų157113.2 Ų113.273%0.73458%0.582SS**Hα-helixtrans-75.6-27.3176.7-72.8174.648.200112.5R167 L168 L173R167-Q171 WeakPolarHBondContact O-CG 3.45Å; R167-Q171 PolarHBondContact O-N 2.99Å; L168-Q171 PolarHBondContact O-N 3.28Å; Q171-L173 VanDerWaalsContact C-N 3.33Å
172A73.9Confident70.6Confident79 Ų79118.7 Ų118.765%0.65361%0.611SS**SBendtrans-76.2-17.2178.300000114L168L168-A172 PolarHBondContact O-N 3.35Å
173L60.3Low68.6Low127 Ų127125.4 Ų125.467%0.66563%0.631SS**SBendtrans-103.7121.3176-66176.3000109Q171 S175Q171-L173 VanDerWaalsContact C-N 3.33Å; L173-S175 PolarHBondContact O-N 2.82Å
174P51.7Low66.2Low99 Ų99127 Ų12764%0.64365%0.645SS**  trans-59.7124.8169.225.1-30000108.2D176P174-D176 PolarHBondContact O-N 2.98Å
175S54.5Low63.8Low115 Ų115136.8 Ų136.880%0.80469%0.687SS**THydrogen-bonded Turntrans-72.545.6-179.7177.90000111.9L173L173-S175 PolarHBondContact O-N 2.82Å
176D50.2Low61.6Low145 Ų145139.2 Ų139.278%0.77570%0.701SS**THydrogen-bonded Turntrans-112.5-5.1-176.2-67-31.2000113.5P174P174-D176 PolarHBondContact O-N 2.98Å
177S53.4Low59.4Low84 Ų84141.1 Ų141.159%0.58772%0.715SS**SBendtrans-89.7-11.9-175.455.60000115.8R179S177-R179 VanDerWaalsContact C-N 3.3Å; S177-R179 PolarHBondContact O-N 3.42Å
178R47.9Very low57.4Low237 Ų237146 Ų14689%0.89474%0.741SS**THydrogen-bonded Turntrans-79.11.1-169.8-171.9168.9-76.8-118.8-0.5115.6
179R46.8Very low55.3Low242 Ų242147.2 Ų147.291%0.91376%0.756SS**THydrogen-bonded Turntrans-115.70.4-177.1-114.7-176.1-176.9-163.11.7116.6S177S177-R179 VanDerWaalsContact C-N 3.3Å; S177-R179 PolarHBondContact O-N 3.42Å
180Q46.8Very low53.7Low179 Ų179151.7 Ų151.784%0.83677%0.77SS**SBendtrans-119.58.6-176-91-161.3-3.900116.6N182Q180-N182 PolarHBondContact O-N 3.36Å
181E51.7Low51.9Low158 Ų158151.7 Ų151.774%0.73878%0.778SS**  trans-79.91.5-178.5-54.4-167.4-149.800114
182N48.5Very low50.8Low147 Ų147149.7 Ų149.779%0.78678%0.779SS**SBendtrans-102.141.5-175.2-53.2-7.7000113.1Q180Q180-N182 PolarHBondContact O-N 3.36Å
183K52.1Low49.2Very low194 Ų194150.6 Ų150.684%0.84379%0.786SS**SBendtrans-161.819170.6-117.1171.9-164.3-165.60119.2
184L43.8Very low48.2Very low168 Ų168150.2 Ų150.288%0.8879%0.79SS**  trans-111.478170.3-63177.3000110.6L186L184-L186 PolarHBondContact O-N 2.83Å
185K45.2Very low48.2Very low209 Ų209153.4 Ų153.491%0.90980%0.8SS**  trans-71.1102.9160.5-82.7-179.4173.8-176.80107.9
186L46.5Very low47.8Very low159 Ų159154.9 Ų154.983%0.83280%0.798SS**  trans-78.6135.6163.1-77.9161000109.1L184 Q188L184-L186 PolarHBondContact O-N 2.83Å; L186-Q188 PolarHBondContact O-N 3.35Å
187P47.1Very low47.8Very low118 Ų118154.1 Ų154.177%0.76680%0.801SS**  trans-70.4125.1176.227-31.2000111S189P187-S189 PolarHBondContact O-N 3.41Å; P187-S189 VanDerWaalsContact O-N 3.14Å
188Q48Very low46.9Very low172 Ų172153.5 Ų153.580%0.80481%0.807SS**  trans-53.4102.2164.8-179.4-17911.400110.7L186L186-Q188 PolarHBondContact O-N 3.35Å
189S44.4Very low46.9Very low105 Ų105150.7 Ų150.773%0.73481%0.805SS**  trans-108.8113.5161.562.30000109.2P187P187-S189 PolarHBondContact O-N 3.41Å; P187-S189 VanDerWaalsContact O-N 3.14Å
190Q51.5Low46.5Very low163 Ų163144.6 Ų144.676%0.76279%0.794SS**  trans-74.1125.6175.7-56.6179.116.900109.3
191T48.4Very low46.4Very low128 Ų128145 Ų14579%0.78580%0.796SS**  trans-154.2110.2156.1-3.10000107.3A193T191-A193 PolarHBondContact O-N 3.11Å
192P53.3Low45.9Very low116 Ų116141.2 Ų141.275%0.75380%0.8SS**  trans-77.2113.7173.628.6-29.6000109.2T194P192-T194 PolarHBondContact O-N 2.84Å; P192-T194 VanDerWaalsContact O-N 3.11Å
193A40.8Very low45.2Very low97 Ų97138.4 Ų138.480%0.80280%0.797SS**  trans-7297.5166.100000108.7T191 L195T191-A193 PolarHBondContact O-N 3.11Å; A193-L195 PolarHBondContact O-N 3.41Å
194T40.6Very low44.6Very low120 Ų120136.8 Ų136.874%0.73680%0.797SS**  trans-77.3103.8173-38.60000108.6P192P192-T194 PolarHBondContact O-N 2.84Å; P192-T194 VanDerWaalsContact O-N 3.11Å
195L49.9Very low44.6Very low165 Ų165136.2 Ų136.286%0.86479%0.793SS**  trans-90.7117165.8-67.4-179.4000109.2A193A193-L195 PolarHBondContact O-N 3.41Å
196I47.1Very low44.3Very low147 Ų147131.6 Ų131.675%0.75479%0.787SS**  trans-72.4133.9176.3-61.3168.1000109
197P50.8Low43.8Very low128 Ų128128.3 Ų128.383%0.83178%0.782SS**  trans-89.1108.5165.629.9-22000109.6
198G33.5Very low43.4Very low71 Ų71128.9 Ų128.973%0.73278%0.784SS**  trans-113.9109.8179.100000112.1
199Q47.5Very low43.2Very low179 Ų179124.9 Ų124.984%0.83678%0.781SS**  trans-67.3144.5162.6-61.5179.8-10.900110.6
200T40Very low43.5Very low114 Ų114125.4 Ų125.470%0.69978%0.781SS**  156.1121.2120.344.30000112.6
201E44.5Very low42.8Very low187 Ų187121.8 Ų121.887%0.87478%0.779SS**  49.2119.4127.1-49.3-171.7-150.900121.9
202G40.8Very low42.5Very low79 Ų79124.7 Ų124.781%0.81478%0.784SS**  98.7109.3126.900000118.9
203A32.8Very low41.9Very low88 Ų88124.8 Ų124.873%0.72778%0.782SS**  trans164.9105.3130.400000109.8
204L39.7Very low42.1Very low160 Ų160127.5 Ų127.584%0.83878%0.782SS**  64.9126.7106.3-61.2172.2000112.5
205I44.3Very low42.1Very low156 Ų156129.6 Ų129.680%0.878%0.783SS**  cis-167148.236.9-0.7176000111.6
206S38.5Very low41.4Very low112 Ų112127.2 Ų127.278%0.78378%0.78SS**  trans-18.5150163.7-53.30000122.6
207A36.3Very low41.1Very low89 Ų89129.7 Ų129.774%0.73679%0.785SS**  -178125.999.800000114.9
208T38.4Very low40.3Very low131 Ų131127.1 Ų127.180%0.80478%0.782SS**  trans78.589140.9-48.80000121.4
209A43.2Very low40.8Very low88 Ų88129.7 Ų129.773%0.72779%0.789SS**  31.5161.4117.200000122.6
210P50.6Low40.3Very low116 Ų116126.1 Ų126.175%0.75379%0.79SS**  cis-139.1162.5-33.535.6-17.1000115.6
211A36.9Very low40.2Very low86 Ų86126.2 Ų126.271%0.71180%0.795SS**  trans32.9130.4141.600000121.8
212Q42.8Very low39.8Very low190 Ų190125.2 Ų125.289%0.88880%0.795SS**  -160.1136.3108.9-105.8174.179.500113.8
213V41.4Very low39.8Very low118 Ų118127.3 Ų127.372%0.71579%0.792SS**  trans-87.6134.8175.5167.80000108.1Q215V213-Q215 HydrophobicContact CG1-CG 4.42Å
214I43.9Very low40.2Very low154 Ų154128.8 Ų128.879%0.7979%0.794SS**  trans-132.1100.9157.5-60.6-179.3000108.7
215Q41.3Very low40Very low164 Ų164127.8 Ų127.877%0.76679%0.794SS**  trans-74.4140.3153-69.1178.66.500108.3V213V213-Q215 HydrophobicContact CG1-CG 4.42Å
216S36.2Very low40.2Very low115 Ų115128.9 Ų128.980%0.80480%0.796SS**  trans-138.1131.4155.261.50000110.3
217K39.1Very low40.5Very low198 Ų198129 Ų12986%0.86179%0.794SS**  trans-84.9163.3178.2-77174.7172.8175.20109.8
218G35.6Very low40.7Very low74 Ų74131 Ų13176%0.76380%0.8SS**  trans-60.4168.6-167.400000117.5
219S42.4Very low40.7Very low125 Ų125134.1 Ų134.187%0.87480%0.802SS**  trans-149.7119.3151.4-80.60000108.7
220A38.1Very low40.5Very low104 Ų104138 Ų13886%0.8681%0.81SS**  trans-66.1139.8166.100000109.4
221S38.1Very low40.2Very low116 Ų116138.6 Ų138.681%0.81181%0.813SS**  trans-141120.8160.5-169.90000109.3
222L36.1Very low40.1Very low166 Ų166139.4 Ų139.487%0.86982%0.82SS**  trans-83.8131.9176.3-67160.4000108.5
223V40.3Very low39.6Very low124 Ų124133.6 Ų133.675%0.75281%0.811SS**  trans-134.8128159-179.50000108.6V225V223-V225 HydrophobicContact CG1-CG2 4.33Å
224P41.2Very low39.2Very low118 Ų118134.2 Ų134.277%0.76682%0.815SS**  trans-99.7126.1175.234.2-24.8000110.8
225V36.4Very low38.8Very low140 Ų140137.4 Ų137.485%0.84882%0.819SS**  trans-140.9132.2164.2-175.60000110.3V223V223-V225 HydrophobicContact CG1-CG2 4.33Å
226Q47.5Very low38.8Very low178 Ų178139 Ų13983%0.83282%0.824SS**PPolyproline II helixtrans-75.1162-167.5-68.6174.1-11.900114.6
227P44Very low38.8Very low114 Ų114142.6 Ų142.674%0.7483%0.827SS**PPolyproline II helixtrans-81.4147.4176.732.6-34.6000112.9
228P41.6Very low38.6Very low132 Ų132137.9 Ų137.986%0.85783%0.826SS**PPolyproline II helixtrans-81.1141.1171.931.3-29.2000111.8
229K38.2Very low38.4Very low196 Ų196145.4 Ų145.485%0.85283%0.831SS**PPolyproline II helixtrans-72.3146.8-173.6-67.5162.8175.3169.30112.7
230L38.4Very low37.9Very low171 Ų171145 Ų14590%0.89582%0.823SS**PPolyproline II helixtrans-57148.7157.4-64.4166.4000111.2
231P44.7Very low37.7Very low127 Ų127146.1 Ų146.183%0.82582%0.82SS**  trans-111.1126.1143.731.8-25.6000111.3
232A34Very low37.5Very low103 Ų103144.3 Ų144.385%0.85182%0.819SS**  trans-72.9148.316300000110.7
233G32.5Very low37.4Very low68 Ų68142.1 Ų142.170%0.70182%0.818SS**  trans112.8102.3153.900000115.1
234T32.7Very low37.2Very low131 Ų131142.7 Ų142.780%0.80482%0.821SS**  173.7118.998.633.70000108.7
235Y35.9Very low37.1Very low221 Ų221143.5 Ų143.587%0.86782%0.824SS**  trans-73.1125.8165.248.6-82.9000107.1
236K41.7Very low37.1Very low199 Ų199140.5 Ų140.587%0.86582%0.821SS**  trans-123.5103.9158.7-75.2-149.1175.6-172.50108.2
237E36.2Very low36.4Very low189 Ų189135.6 Ų135.688%0.88382%0.819SS**  trans-69.7124162.5-168.4174.1-16200107.8
238A35Very low36Very low100 Ų100138.4 Ų138.483%0.82683%0.827SS**  trans-137.689.3166.800000108
239R32.2Very low35.6Very low231 Ų231135.5 Ų135.587%0.87282%0.821SS**  trans-69.6139.2151.9-175-178.8-174.6167.31106.8
240V31.4Very low35.4Very low118 Ų118135 Ų13572%0.71582%0.82SS**  trans162.3121.8133.81560000112.2
241T32.9Very low35.2Very low127 Ų127130.3 Ų130.378%0.77981%0.812SS**  trans56.7112.3148.459.30000122.1
242G34.2Very low34.7Very low77 Ų77128.7 Ų128.779%0.79480%0.8SS**  30.9120.6112.700000119.4
243S34.7Very low35.1Very low121 Ų121132 Ų13285%0.84680%0.798SS**  trans-142.9113.2146.5-167.50000109.7
244T36.3Very low35.7Very low135 Ų135136.5 Ų136.583%0.82880%0.801SS**  trans-61.3140.6155.7-68.40000110
245V38.8Very low36Very low136 Ų136137.1 Ų137.182%0.82480%0.799SS**  trans169.3117.31511540000102.3
246G35.6Very low36.7Very low77 Ų77135.4 Ų135.479%0.79480%0.799SS**  cis103.6105.645.700000107.5
247G34.1Very low37Very low75 Ų75133 Ų13377%0.77379%0.79SS**  trans141.885.2-178.500000108.9
248D34.1Very low37.7Very low173 Ų173131.7 Ų131.793%0.92579%0.785SS**  67.8116.261.1-149.726.3000113.8
249G34.8Very low37.8Very low70 Ų70137.2 Ų137.272%0.72278%0.784SS**  trans86.789.4155.500000118.6
250F32.6Very low38.7Very low187 Ų187133.7 Ų133.782%0.8278%0.777SS**  -175.588.3115.2-160.3-104000109T252F250-T252 WeakPolarHBondContact CE1-OG1 3.33Å; F250-T252 PolarHBondContact O-N 2.89Å
251G34.2Very low40Very low72 Ų72136.4 Ų136.474%0.74278%0.783SS**  trans-78.1109.5165.100000108E253G251-E253 PolarHBondContact O-N 2.94Å
252T35Very low41Very low92 Ų92135.3 Ų135.356%0.56478%0.78SS**  trans-76.799.2158.1-510000105.6F250 E254F250-T252 WeakPolarHBondContact CE1-OG1 3.33Å; F250-T252 PolarHBondContact O-N 2.89Å; T252-E254 VanDerWaalsContact C-N 3.27Å; T252-E254 HydrophobicContact CG2-CG 3.95Å; T252-E254 PolarHBondContact O-N 3.42Å; T252-E254 VanDerWaalsContact O-N 3.1Å
253E42.8Very low43.2Very low172 Ų172142.5 Ų142.580%0.80478%0.783SS**  trans-71.692162.1-69.1-177.9171.300106.4G251G251-E253 PolarHBondContact O-N 2.94Å
254E44.2Very low44.8Very low164 Ų164142.7 Ų142.777%0.76678%0.775SS**  trans-88.1103.7154.6-80.5173.7-162.100105.4T252 E256T252-E254 VanDerWaalsContact C-N 3.27Å; T252-E254 HydrophobicContact CG2-CG 3.95Å; T252-E254 PolarHBondContact O-N 3.42Å; T252-E254 VanDerWaalsContact O-N 3.1Å; E254-E256 VanDerWaalsContact C-N 3.3Å; E254-E256 PolarHBondContact O-N 2.96Å
255D40.3Very low46.6Very low143 Ų143139 Ų13977%0.76576%0.764SS**  trans-57.890.6171.2-69.5-50.1000109.2E257D255-E257 VanDerWaalsContact C-N 3.31Å; D255-E257 PolarHBondContact O-N 3.49Å; D255-E257 VanDerWaalsContact O-N 3.11Å
256E49.6Very low48.4Very low186 Ų186139.7 Ų139.787%0.86976%0.758SS**  trans-7293.2158.7-78.3-175.5165.400106.9E254 E258E254-E256 VanDerWaalsContact C-N 3.3Å; E254-E256 PolarHBondContact O-N 2.96Å; E256-E258 PolarHBondContact O-N 3.45Å
257E48.8Very low50.1Low147 Ų147142.3 Ų142.369%0.68776%0.758SS**  trans-59.389.2166.3-71.5-178.6171.100109D255 W259D255-E257 VanDerWaalsContact C-N 3.31Å; D255-E257 PolarHBondContact O-N 3.49Å; D255-E257 VanDerWaalsContact O-N 3.11Å; E257-W259 PolarHBondContact O-N 3.29Å
258E49.3Very low51.8Low163 Ų163143 Ų14376%0.76274%0.744SS**  trans-66.197.6170.3-163.9170.4-154.600107.3E256 E260E256-E258 PolarHBondContact O-N 3.45Å; E258-E260 HydrophobicContact CG-CG 4.37Å; E258-E260 PolarHBondContact O-N 3.22Å
259W38.2Very low54Low216 Ų216137.9 Ų137.982%0.81872%0.719SS**  trans-67.279169.3-61.492.4000108.6E257 E261E257-W259 PolarHBondContact O-N 3.29Å; W259-E261 PolarHBondContact O-N 3.43Å
260E51.4Low55.6Low156 Ų156140.9 Ų140.973%0.72971%0.714SS**  trans-62.794.9158.6-67.7-166.4162.500106.4E258 S262E258-E260 HydrophobicContact CG-CG 4.37Å; E258-E260 PolarHBondContact O-N 3.22Å; E260-S262 PolarHBondContact O-N 2.86Å
261E58.1Low57.7Low176 Ų176139.1 Ų139.182%0.82271%0.708SS**  trans-62.777.7163-83.6172.7169.800108W259 W263W259-E261 PolarHBondContact O-N 3.43Å; E261-W263 PolarHBondContact O-N 2.87Å
262S55Low59.9Low103 Ų103139.5 Ų139.572%0.7269%0.691SS**  trans-64.1103.9169.3176.10000106.5E260 D264E260-S262 PolarHBondContact O-N 2.86Å; S262-D264 PolarHBondContact O-N 2.67Å
263W78.6Confident62.2Low228 Ų228138.7 Ų138.786%0.86468%0.683SS**  trans-50.4126.6165.6-83.367.7000108.9E261 G265E261-W263 PolarHBondContact O-N 2.87Å; W263-G265 PolarHBondContact O-N 3.42Å; W263-G265 VanDerWaalsContact O-N 3.12Å
264D69.8Low63.7Low125 Ų125136 Ų13667%0.66867%0.67SS**  trans-67.6-7.1-177.461.60.4000113.6S262 Q266S262-D264 PolarHBondContact O-N 2.67Å; D264-Q266 PolarHBondContact O-N 3.41Å; D264-Q266 PolarHBondContact OD1-N 3.04Å; D264-Q266 VanDerWaalsContact OD1-N 3.08Å
265G73.6Confident65.4Low58 Ų58134.2 Ų134.260%0.59866%0.662SS**  trans70.812.5178.900000113.2W263 V267W263-G265 PolarHBondContact O-N 3.42Å; W263-G265 VanDerWaalsContact O-N 3.12Å; G265-V267 PolarHBondContact O-N 3.16Å; G265-V267 VanDerWaalsContact O-N 3.11Å
266Q75.6Confident67.1Low151 Ų151131 Ų13171%0.70664%0.644SS**  trans-73.8106.6178.3-166.9148.2-29.600109.1D264D264-Q266 PolarHBondContact O-N 3.41Å; D264-Q266 PolarHBondContact OD1-N 3.04Å; D264-Q266 VanDerWaalsContact OD1-N 3.08Å
267V73Confident68.2Low132 Ų132127.6 Ų127.680%0.863%0.631SS**PPolyproline II helixtrans-93.4124.8172.8-126.30000107.1G265G265-V267 PolarHBondContact O-N 3.16Å; G265-V267 VanDerWaalsContact O-N 3.11Å
268L69.3Low69.3Low89 Ų89125.4 Ų125.447%0.46662%0.624SS.*PPolyproline II helixtrans-53.3142.3175.6-64.8172.5000110.2E272 I276L268-E272 HydrophobicContact CB-CB 4.23Å; L268-E272 HydrophobicContact CD2-CB 4.21Å; L268-E272 WeakPolarHBondContact CD2-OE2 3.27Å; L268-I276 HydrophobicContact CD1-CD1 3.62Å
269T79.8Confident70.2Confident66 Ų66124.7 Ų124.741%0.40562%0.623SS.*PPolyproline II helixtrans-66.6155.5169.762.30000109.5E271 E272 L273T269-E271 PolarHBondContact O-N 3.23Å; T269-E271 VanDerWaalsContact O-N 3.15Å; T269-E272 PolarHBondContact N-OE2 2.86Å; T269-E272 PolarHBondContact O-N 3.32Å; T269-E272 VanDerWaalsContact O-N 3.13Å; T269-E272 WeakPolarHBondContact OG1-CG 3.41Å; T269-E272 PolarHBondContact OG1-N 3.1Å; T269-L273 PolarHBondContact O-N 3.14Å
270E69.1Low71.6Confident132 Ų132120.1 Ų120.162%0.61761%0.614SS**Hα-helixtrans-55.7-32.1176.2-172.371.3-158.200111.1L273 E274E270-L273 PolarHBondContact O-N 3.14Å; E270-E274 WeakPolarHBondContact O-CB 3.19Å; E270-E274 WeakPolarHBondContact O-CG 3.48Å; E270-E274 PolarHBondContact O-N 3.06Å
271E76.8Confident72.5Confident150 Ų150119.5 Ų119.570%0.70161%0.609SS**Hα-helixtrans-68.3-44.5177.4-62.6148.1-165.500112.3T269 L273 E274 E275T269-E271 PolarHBondContact O-N 3.23Å; T269-E271 VanDerWaalsContact O-N 3.15Å; E271-L273 VanDerWaalsContact C-N 3.3Å; E271-L273 PolarHBondContact O-N 3.5Å; E271-E274 PolarHBondContact O-N 3.3Å; E271-E275 PolarHBondContact O-N 3.18Å
272E80.4Confident73Confident80 Ų80116.8 Ų116.837%0.37461%0.606SS.*Hα-helixtrans-66.9-33.9174.3-75.9173.2160.100111.6L268 T269 E275 I276L268-E272 HydrophobicContact CB-CB 4.23Å; L268-E272 HydrophobicContact CD2-CB 4.21Å; L268-E272 WeakPolarHBondContact CD2-OE2 3.27Å; T269-E272 PolarHBondContact N-OE2 2.86Å; T269-E272 PolarHBondContact O-N 3.32Å; T269-E272 VanDerWaalsContact O-N 3.13Å; T269-E272 WeakPolarHBondContact OG1-CG 3.41Å; T269-E272 PolarHBondContact OG1-N 3.1Å; E272-E275 PolarHBondContact O-N 2.92Å; E272-I276 WeakPolarHBondContact O-CD1 3.37Å; E272-I276 VanDerWaalsContact O-CG1 3.28Å; E272-I276 WeakPolarHBondContact O-CG1 3.41Å; E272-I276 PolarHBondContact O-N 3.25Å; E272-I276 VanDerWaalsContact O-N 3.11Å
273L81.6Confident73.7Confident76 Ų76114.5 Ų114.540%0.39859%0.594SS.*Hα-helixtrans-69.7-40.6176.6-170.567.3000111.9T269 E270 E271 L277T269-L273 PolarHBondContact O-N 3.14Å; E270-L273 PolarHBondContact O-N 3.14Å; E271-L273 VanDerWaalsContact C-N 3.3Å; E271-L273 PolarHBondContact O-N 3.5Å; L273-L277 HydrophobicContact CG-CD1 4.46Å; L273-L277 PolarHBondContact O-N 3.11Å; L273-L277 VanDerWaalsContact O-N 3.12Å
274E76Confident73.7Confident115 Ų115108.4 Ų108.454%0.53758%0.584SS.*Hα-helixtrans-63.5-40.8173-78.7-176.8174.600111.4E270 E271 L277 D278E270-E274 WeakPolarHBondContact O-CB 3.19Å; E270-E274 WeakPolarHBondContact O-CG 3.48Å; E270-E274 PolarHBondContact O-N 3.06Å; E271-E274 PolarHBondContact O-N 3.3Å; E274-L277 PolarHBondContact O-N 3.31Å; E274-D278 WeakPolarHBondContact O-CB 3.35Å; E274-D278 PolarHBondContact O-N 2.88Å
275E78.9Confident74.4Confident126 Ų126106 Ų10659%0.58957%0.574SS**Hα-helixtrans-62.2-44.3176.8-174.2171.2-169.400112.2E271 E272 L277 D278 M279E271-E275 PolarHBondContact O-N 3.18Å; E272-E275 PolarHBondContact O-N 2.92Å; E275-L277 PolarHBondContact O-N 2.85Å; E275-D278 PolarHBondContact O-N 3.39Å; E275-M279 WeakPolarHBondContact O-CG 3.37Å; E275-M279 PolarHBondContact O-N 3.14Å
276I76.6Confident75.1Confident75 Ų75107 Ų10739%0.38557%0.568SS.*Hα-helixtrans-64.5-42.2177.4-66.7163.1000111.2L268 E272 D278 M279 D280L268-I276 HydrophobicContact CD1-CD1 3.62Å; E272-I276 WeakPolarHBondContact O-CD1 3.37Å; E272-I276 VanDerWaalsContact O-CG1 3.28Å; E272-I276 WeakPolarHBondContact O-CG1 3.41Å; E272-I276 PolarHBondContact O-N 3.25Å; E272-I276 VanDerWaalsContact O-N 3.11Å; I276-D278 VanDerWaalsContact C-N 3.25Å; I276-D278 PolarHBondContact O-N 2.93Å; I276-M279 PolarHBondContact O-N 3.38Å; I276-D280 PolarHBondContact O-N 3.41Å; I276-D280 VanDerWaalsContact O-N 3.09Å
277L73.1Confident75.8Confident115 Ų115105.6 Ų105.660%0.60256%0.561SS**Hα-helixtrans-64.1-31.2176.6-86.8162000112.9L273 E274 E275L273-L277 HydrophobicContact CG-CD1 4.46Å; L273-L277 PolarHBondContact O-N 3.11Å; L273-L277 VanDerWaalsContact O-N 3.12Å; E274-L277 PolarHBondContact O-N 3.31Å; E275-L277 PolarHBondContact O-N 2.85Å
278D71.9Confident76.4Confident102 Ų102103.7 Ų103.755%0.54555%0.55SS..Hα-helixtrans-79.2-28.6176.8-86.6-26.6000113.4E274 E275 I276 K281E274-D278 WeakPolarHBondContact O-CB 3.35Å; E274-D278 PolarHBondContact O-N 2.88Å; E275-D278 PolarHBondContact O-N 3.39Å; I276-D278 VanDerWaalsContact C-N 3.25Å; I276-D278 PolarHBondContact O-N 2.93Å; D278-K281 IonicContact OD1-NZ 3.61Å; D278-K281 PolarHBondContact OD1-NZ 3.01Å
279M67Low77.4Confident148 Ų148102.5 Ų102.573%0.72956%0.559SS**Hα-helixtrans-73.9-32.3172.8-69.5-165.672.900112.9E275 I276 K281E275-M279 WeakPolarHBondContact O-CG 3.37Å; E275-M279 PolarHBondContact O-N 3.14Å; I276-M279 PolarHBondContact O-N 3.38Å; M279-K281 PolarHBondContact O-N 3.16Å
280D67.9Low77.8Confident119 Ų119101.9 Ų101.964%0.63656%0.557SS**THydrogen-bonded Turntrans-98.327.6-172.8-73.5-23.1000114.4I276 P282I276-D280 PolarHBondContact O-N 3.41Å; I276-D280 VanDerWaalsContact O-N 3.09Å; D280-P282 WeakPolarHBondContact O-CD 3.3Å
281K71.5Confident79Confident143 Ų14396.7 Ų96.762%0.62253%0.534SS*.  trans-61.6109.6170.7-88.2161.3178.9145.30108.8D278 M279 A283D278-K281 IonicContact OD1-NZ 3.61Å; D278-K281 PolarHBondContact OD1-NZ 3.01Å; M279-K281 PolarHBondContact O-N 3.16Å; K281-A283 PolarHBondContact O-N 3.18Å
282P67.2Low79.9Confident119 Ų11990.9 Ų90.977%0.77351%0.506SS*.PPolyproline II helixtrans-63.2135.1-176.226.5-33.2000108.7D280D280-P282 WeakPolarHBondContact O-CD 3.3Å
283A70.3Confident80.5Confident55 Ų5589.5 Ų89.546%0.45550%0.499SS..PPolyproline II helixtrans-51.8142.1178.100000110.3K281 V285 A295K281-A283 PolarHBondContact O-N 3.18Å; A283-V285 PolarHBondContact O-N 2.96Å; A283-V285 VanDerWaalsContact O-N 3.16Å; A283-A295 HydrophobicContact CB-CB 4.04Å
284P78.4Confident80.9Confident100 Ų10087.4 Ų87.465%0.64949%0.488SS*.PPolyproline II helixtrans-57.9123.7-176.323-33000110.4A295P284-A295 HydrophobicContact CG-CB 4.24Å
285V84.3Confident81.3Confident76 Ų7685.1 Ų85.146%0.46149%0.489SS..PPolyproline II helixtrans-86.2126.4-179.7177.70000109.5A283 F292 F293 L300A283-V285 PolarHBondContact O-N 2.96Å; A283-V285 VanDerWaalsContact O-N 3.16Å; V285-F292 HydrophobicContact CG1-CB 3.91Å; V285-F292 HydrophobicContact CG1-CD1 3.81Å; V285-F292 HydrophobicContact CG1-CG 4.36Å; V285-F293 CarbonylContact C-O 3.6Å; V285-F293 WeakPolarHBondContact CA-O 3.35Å; V285-F293 WeakPolarHBondContact CG1-O 3.41Å; V285-L300 HydrophobicContact CG1-CD1 4.06Å; V285-L300 HydrophobicContact CG2-CD1 3.89Å
286V87.6Confident81.6Confident78 Ų7886.9 Ų86.947%0.47350%0.497SS..EExtended strand (participates in β ladder)trans-98121.2178.1-178.10000109.2V288 F293V286-V288 HydrophobicContact CG1-CG2 4.2Å; V286-F293 PolarHBondContact N-O 2.91Å; V286-F293 PolarHBondContact O-N 3.18Å
287Q90.6Very high82.1Confident121 Ų12185.6 Ų85.657%0.56550%0.503SS*.EExtended strand (participates in β ladder)trans-93.5124.2175.3-173.4-178.91.600110.6G289 F292Q287-G289 PolarHBondContact NE2-O 3.03Å; Q287-F292 HydrophobicContact CB-CD1 4.14Å; Q287-F292 HydrophobicContact CB-CE1 3.97Å; Q287-F292 HydrophobicContact CG-CD1 4.21Å; Q287-F292 HydrophobicContact CG-CE1 3.78Å; Q287-F292 HydrophobicContact CG-CE2 4.41Å; Q287-F292 HydrophobicContact CG-CZ 3.89Å
288V86.9Confident82.9Confident93 Ų9384 Ų8456%0.56450%0.495SS*.EExtended strand (participates in β ladder)trans-122.899172.3-174.20000108.4V286 S290 D291 F293V286-V288 HydrophobicContact CG1-CG2 4.2Å; V288-S290 PolarHBondContact O-N 2.73Å; V288-D291 PolarHBondContact N-O 3.27Å; V288-D291 PolarHBondContact O-N 3.01Å; V288-D291 VanDerWaalsContact O-N 3.14Å; V288-F293 HydrophobicContact CB-CD2 4.41Å; V288-F293 HydrophobicContact CB-CE2 4.05Å; V288-F293 HydrophobicContact CG2-CD2 4.21Å; V288-F293 HydrophobicContact CG2-CE2 4.26Å
289G90.3Very high83.8Confident64 Ų6484.3 Ų84.366%0.6649%0.491SS*.THydrogen-bonded Turntrans66.2-118-175.500000112.5Q287Q287-G289 PolarHBondContact NE2-O 3.03Å
290S87.7Confident85Confident52 Ų5281 Ų8136%0.36448%0.476SS..THydrogen-bonded Turntrans-89.3-4.4175.956.90000113.8V288 R302 T303V288-S290 PolarHBondContact O-N 2.73Å; S290-R302 VanDerWaalsContact O-CA 3.28Å; S290-R302 WeakPolarHBondContact O-CA 3.29Å; S290-T303 PolarHBondContact O-N 3.48Å; S290-T303 PolarHBondContact O-OG1 3.15Å
291D94.4Very high86.1Confident24 Ų2481.2 Ų81.213%0.12847%0.469CS..EExtended strand (participates in β ladder)trans-109.5138.6-167.9-63.43.1000110.2V288 F293 F299 R302V288-D291 PolarHBondContact N-O 3.27Å; V288-D291 PolarHBondContact O-N 3.01Å; V288-D291 VanDerWaalsContact O-N 3.14Å; D291-F293 HydrophobicContact CB-CD2 4.49Å; D291-F293 HydrophobicContact CB-CE2 3.56Å; D291-F293 HydrophobicContact CB-CZ 3.93Å; D291-F299 HydrophobicContact CB-CD2 4.28Å; D291-F299 HydrophobicContact CB-CE2 3.93Å; D291-R302 WeakPolarHBondContact OD1-CG 3.43Å; D291-R302 IonicContact OD1-CZ 3.94Å; D291-R302 IonicContact OD1-NE 2.73Å; D291-R302 PolarHBondContact OD1-NE 3.1Å; D291-R302 IonicContact OD1-NH2 3.57Å; D291-R302 PolarHBondContact OD1-NH2 3.36Å; D291-R302 IonicContact OD2-CZ 3.34Å; D291-R302 IonicContact OD2-NE 2.66Å; D291-R302 IonicContact OD2-NH2 3.3Å; D291-R302 PolarHBondContact OD2-NH2 3.38Å
292F94.3Very high87Confident28 Ų2882.1 Ų82.112%0.12347%0.469CS..EExtended strand (participates in β ladder)trans-113.7132.1-179.4-66.6-97000109.3V285 Q287 L300 Y301 T303V285-F292 HydrophobicContact CG1-CB 3.91Å; V285-F292 HydrophobicContact CG1-CD1 3.81Å; V285-F292 HydrophobicContact CG1-CG 4.36Å; Q287-F292 HydrophobicContact CB-CD1 4.14Å; Q287-F292 HydrophobicContact CB-CE1 3.97Å; Q287-F292 HydrophobicContact CG-CD1 4.21Å; Q287-F292 HydrophobicContact CG-CE1 3.78Å; Q287-F292 HydrophobicContact CG-CE2 4.41Å; Q287-F292 HydrophobicContact CG-CZ 3.89Å; F292-L300 WeakPolarHBondContact O-CB 3.39Å; F292-L300 PolarHBondContact O-N 3.06Å; F292-Y301 HydrophobicContact CB-CD1 4.27Å; F292-Y301 HydrophobicContact CB-CD2 4.37Å; F292-Y301 HydrophobicContact CB-CE1 4.05Å; F292-Y301 HydrophobicContact CB-CE2 4.15Å; F292-Y301 HydrophobicContact CB-CG 4.42Å; F292-Y301 HydrophobicContact CD1-CE2 4.25Å; F292-Y301 AromaticContact CD2-CD2 3.7Å; F292-Y301 HydrophobicContact CD2-CD2 3.7Å; F292-Y301 AromaticContact CD2-CE2 3.33Å; F292-Y301 HydrophobicContact CD2-CE2 3.33Å; F292-Y301 AromaticContact CD2-CZ 3.9Å; F292-Y301 HydrophobicContact CE2-CD2 4.34Å; F292-Y301 AromaticContact CE2-CE2 3.74Å; F292-Y301 HydrophobicContact CE2-CE2 3.74Å; F292-Y301 HydrophobicContact CG-CD2 4.19Å; F292-Y301 HydrophobicContact CG-CE1 4.27Å; F292-Y301 AromaticContact CG-CE2 3.64Å; F292-Y301 HydrophobicContact CG-CE2 3.64Å; F292-Y301 AromaticContact CG-CZ 3.67Å; F292-Y301 HydrophobicContact CZ-CE2 4.33Å; F292-Y301 PolarHBondContact N-O 2.98Å; F292-Y301 PolarHBondContact O-N 3.21Å; F292-T303 HydrophobicContact CD2-CG2 4.39Å; F292-T303 HydrophobicContact CE2-CG2 3.57Å; F292-T303 HydrophobicContact CZ-CG2 4.27Å
293F93.4Very high87.5Confident51 Ų5183.4 Ų83.422%0.22447%0.474CS..EExtended strand (participates in β ladder)trans-123.9150.4-178.2-60.1-93.9000110.5V285 V286 V288 D291 G297 N298 F299V285-F293 CarbonylContact C-O 3.6Å; V285-F293 WeakPolarHBondContact CA-O 3.35Å; V285-F293 WeakPolarHBondContact CG1-O 3.41Å; V286-F293 PolarHBondContact N-O 2.91Å; V286-F293 PolarHBondContact O-N 3.18Å; V288-F293 HydrophobicContact CB-CD2 4.41Å; V288-F293 HydrophobicContact CB-CE2 4.05Å; V288-F293 HydrophobicContact CG2-CD2 4.21Å; V288-F293 HydrophobicContact CG2-CE2 4.26Å; D291-F293 HydrophobicContact CB-CD2 4.49Å; D291-F293 HydrophobicContact CB-CE2 3.56Å; D291-F293 HydrophobicContact CB-CZ 3.93Å; F293-G297 WeakPolarHBondContact CD1-O 3.29Å; F293-N298 CarbonylContact C-O 3.55Å; F293-N298 WeakPolarHBondContact CA-O 3.35Å; F293-F299 HydrophobicContact CD1-CB 4.14Å; F293-F299 HydrophobicContact CE1-CB 3.93Å; F293-F299 HydrophobicContact CE1-CD2 4.08Å; F293-F299 HydrophobicContact CZ-CD2 4.17Å
294D91.3Very high88.4Confident32 Ų3284.8 Ų84.817%0.17148%0.475CS..  trans-76.2179.7168.766.914.5000111.7E296 G297 N298 L300D294-E296 PolarHBondContact O-N 2.98Å; D294-E296 WeakPolarHBondContact OD1-CA 3.14Å; D294-E296 WeakPolarHBondContact OD1-CB 3.49Å; D294-E296 PolarHBondContact OD1-N 3.28Å; D294-G297 PolarHBondContact O-N 3.01Å; D294-G297 VanDerWaalsContact O-N 3.13Å; D294-G297 PolarHBondContact OD1-N 3.01Å; D294-N298 PolarHBondContact N-O 3.19Å; D294-N298 WeakPolarHBondContact OD1-CA 3.48Å; D294-N298 WeakPolarHBondContact OD1-CB 3.42Å; D294-N298 PolarHBondContact OD1-N 3.13Å; D294-N298 PolarHBondContact OD1-ND2 3.2Å; D294-N298 VanDerWaalsContact OD2-CB 3.28Å; D294-N298 WeakPolarHBondContact OD2-CB 3.36Å; D294-N298 PolarHBondContact OD2-ND2 3.01Å; D294-L300 HydrophobicContact CB-CD1 4.15Å; D294-L300 HydrophobicContact CB-CD2 4.23Å; D294-L300 HydrophobicContact CB-CG 4.25Å
295A84.8Confident88.9Confident66 Ų6684 Ų8455%0.54547%0.466SS..THydrogen-bonded Turntrans-65.7-16.2179.300000113.8A283 P284A283-A295 HydrophobicContact CB-CB 4.04Å; P284-A295 HydrophobicContact CG-CB 4.24Å
296E85.1Confident89.2Confident163 Ų16384.4 Ų84.476%0.76247%0.466SS*.THydrogen-bonded Turntrans-93.5-5179.1-65163.8-167.500111.8D294 N298D294-E296 PolarHBondContact O-N 2.98Å; D294-E296 WeakPolarHBondContact OD1-CA 3.14Å; D294-E296 WeakPolarHBondContact OD1-CB 3.49Å; D294-E296 PolarHBondContact OD1-N 3.28Å; E296-N298 WeakPolarHBondContact CB-ND2 3.48Å; E296-N298 PolarHBondContact OE2-ND2 3.26Å; E296-N298 VanDerWaalsContact OE2-ND2 3.1Å
297G85.7Confident89.3Confident49 Ų4984.8 Ų84.851%0.50547%0.466SS..SBendtrans82.913.1-177.700000113.7F293 D294F293-G297 WeakPolarHBondContact CD1-O 3.29Å; D294-G297 PolarHBondContact O-N 3.01Å; D294-G297 VanDerWaalsContact O-N 3.13Å; D294-G297 PolarHBondContact OD1-N 3.01Å
298N90.2Very high89.2Confident82 Ų8282.6 Ų82.644%0.43946%0.46SS..  trans-77.5137.7172.5-48.3-57000109.9F293 D294 E296 L300F293-N298 CarbonylContact C-O 3.55Å; F293-N298 WeakPolarHBondContact CA-O 3.35Å; D294-N298 PolarHBondContact N-O 3.19Å; D294-N298 WeakPolarHBondContact OD1-CA 3.48Å; D294-N298 WeakPolarHBondContact OD1-CB 3.42Å; D294-N298 PolarHBondContact OD1-N 3.13Å; D294-N298 PolarHBondContact OD1-ND2 3.2Å; D294-N298 VanDerWaalsContact OD2-CB 3.28Å; D294-N298 WeakPolarHBondContact OD2-CB 3.36Å; D294-N298 PolarHBondContact OD2-ND2 3.01Å; E296-N298 WeakPolarHBondContact CB-ND2 3.48Å; E296-N298 PolarHBondContact OE2-ND2 3.26Å; E296-N298 VanDerWaalsContact OE2-ND2 3.1Å; N298-L300 PolarHBondContact O-N 3.13Å
299F90.8Very high89.3Confident108 Ų10881.9 Ų81.947%0.47445%0.453SS..EExtended strand (participates in β ladder)trans-70.1127178174.5-94.7000110.9D291 F293 Y301 R302D291-F299 HydrophobicContact CB-CD2 4.28Å; D291-F299 HydrophobicContact CB-CE2 3.93Å; F293-F299 HydrophobicContact CD1-CB 4.14Å; F293-F299 HydrophobicContact CE1-CB 3.93Å; F293-F299 HydrophobicContact CE1-CD2 4.08Å; F293-F299 HydrophobicContact CZ-CD2 4.17Å; F299-Y301 WeakPolarHBondContact CE2-O 3.45Å; F299-R302 HydrophobicContact CE2-CB 4.19Å; F299-R302 HydrophobicContact CZ-CB 3.86Å
300L92.6Very high89.3Confident79 Ų7983.1 Ų83.141%0.41444%0.438SS..EExtended strand (participates in β ladder)trans-94.8-65.3176.5-64173.3000110.9V285 F292 D294 N298V285-L300 HydrophobicContact CG1-CD1 4.06Å; V285-L300 HydrophobicContact CG2-CD1 3.89Å; F292-L300 WeakPolarHBondContact O-CB 3.39Å; F292-L300 PolarHBondContact O-N 3.06Å; D294-L300 HydrophobicContact CB-CD1 4.15Å; D294-L300 HydrophobicContact CB-CD2 4.23Å; D294-L300 HydrophobicContact CB-CG 4.25Å; N298-L300 PolarHBondContact O-N 3.13Å
301Y90.1Very high89.4Confident122 Ų12285.5 Ų85.548%0.47844%0.444SS..EExtended strand (participates in β ladder)trans-158.8166.5-178.161.8-90.6000112.9F292 F299 T303F292-Y301 HydrophobicContact CB-CD1 4.27Å; F292-Y301 HydrophobicContact CB-CD2 4.37Å; F292-Y301 HydrophobicContact CB-CE1 4.05Å; F292-Y301 HydrophobicContact CB-CE2 4.15Å; F292-Y301 HydrophobicContact CB-CG 4.42Å; F292-Y301 HydrophobicContact CD1-CE2 4.25Å; F292-Y301 AromaticContact CD2-CD2 3.7Å; F292-Y301 HydrophobicContact CD2-CD2 3.7Å; F292-Y301 AromaticContact CD2-CE2 3.33Å; F292-Y301 HydrophobicContact CD2-CE2 3.33Å; F292-Y301 AromaticContact CD2-CZ 3.9Å; F292-Y301 HydrophobicContact CE2-CD2 4.34Å; F292-Y301 AromaticContact CE2-CE2 3.74Å; F292-Y301 HydrophobicContact CE2-CE2 3.74Å; F292-Y301 HydrophobicContact CG-CD2 4.19Å; F292-Y301 HydrophobicContact CG-CE1 4.27Å; F292-Y301 AromaticContact CG-CE2 3.64Å; F292-Y301 HydrophobicContact CG-CE2 3.64Å; F292-Y301 AromaticContact CG-CZ 3.67Å; F292-Y301 HydrophobicContact CZ-CE2 4.33Å; F292-Y301 PolarHBondContact N-O 2.98Å; F292-Y301 PolarHBondContact O-N 3.21Å; F299-Y301 WeakPolarHBondContact CE2-O 3.45Å; Y301-T303 HydrophobicContact CD2-CG2 4.42Å; Y301-T303 HydrophobicContact CE2-CG2 4.19Å
302R91.8Very high89Confident163 Ų16390.7 Ų90.762%0.61547%0.47SS*.EExtended strand (participates in β ladder)trans-123.6133.3176.7174.8178.1-63.9-173.6-2.5109.9S290 D291 F299S290-R302 VanDerWaalsContact O-CA 3.28Å; S290-R302 WeakPolarHBondContact O-CA 3.29Å; D291-R302 WeakPolarHBondContact OD1-CG 3.43Å; D291-R302 IonicContact OD1-CZ 3.94Å; D291-R302 IonicContact OD1-NE 2.73Å; D291-R302 PolarHBondContact OD1-NE 3.1Å; D291-R302 IonicContact OD1-NH2 3.57Å; D291-R302 PolarHBondContact OD1-NH2 3.36Å; D291-R302 IonicContact OD2-CZ 3.34Å; D291-R302 IonicContact OD2-NE 2.66Å; D291-R302 IonicContact OD2-NH2 3.3Å; D291-R302 PolarHBondContact OD2-NH2 3.38Å; F299-R302 HydrophobicContact CE2-CB 4.19Å; F299-R302 HydrophobicContact CZ-CB 3.86Å
303T77.8Confident88.5Confident145 Ų14596.4 Ų96.489%0.8950%0.501SS*.  trans-90.40174.353.60000112.5S290 F292 Y301S290-T303 PolarHBondContact O-N 3.48Å; S290-T303 PolarHBondContact O-OG1 3.15Å; F292-T303 HydrophobicContact CD2-CG2 4.39Å; F292-T303 HydrophobicContact CE2-CG2 3.57Å; F292-T303 HydrophobicContact CZ-CG2 4.27Å; Y301-T303 HydrophobicContact CD2-CG2 4.42Å; Y301-T303 HydrophobicContact CE2-CG2 4.19Å

Retrieved 303 of 303 residues in 408.3 ms (Link to these results)