G4VJP4_SCHMA Loading...

Putative pre-mRNA-splicing factor cwc-21

AlphaFold DB , UniProt , Accession G4VJP4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 304 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
1M81.6Confident89.3Confident148 Ų148110.6 Ų110.673%0.72959%0.594SS**  0134.50-76.9165.1143.600108.3G6M1-G6 WeakPolarHBondContact CE-O 3.39Å
2Y79.5Confident89.7Confident184 Ų184108.5 Ų108.572%0.72262%0.617SS**BIsolated β-bridgetrans-109.9128.6178.5-176.6-101.3000107.8G4 I5Y2-G4 PolarHBondContact O-N 3.15Å; Y2-G4 VanDerWaalsContact O-N 3.13Å; Y2-I5 PolarHBondContact N-O 3.42Å; Y2-I5 WeakPolarHBondContact O-CG1 3.46Å; Y2-I5 PolarHBondContact O-N 3Å
3N90Very high89.9Confident132 Ų132103.7 Ų103.771%0.70660%0.595SS**THydrogen-bonded Turntrans49.933.7-173.8-61.8-16.2000115.1I5N3-I5 HydrophobicContact CB-CG1 4.41Å; N3-I5 PolarHBondContact O-N 3.31Å; N3-I5 VanDerWaalsContact O-N 3.14Å
4G92.2Very high90.2Very high68 Ų68102.4 Ų102.470%0.70162%0.616SS**THydrogen-bonded Turntrans67.76.9-177.500000115.2Y2Y2-G4 PolarHBondContact O-N 3.15Å; Y2-G4 VanDerWaalsContact O-N 3.13Å
5I91.5Very high90.4Very high99 Ų99101 Ų10151%0.50861%0.608SS.*BIsolated β-bridgetrans-108.7149.7177.955.9168.7000111.4Y2 N3 V19Y2-I5 PolarHBondContact N-O 3.42Å; Y2-I5 WeakPolarHBondContact O-CG1 3.46Å; Y2-I5 PolarHBondContact O-N 3Å; N3-I5 HydrophobicContact CB-CG1 4.41Å; N3-I5 PolarHBondContact O-N 3.31Å; N3-I5 VanDerWaalsContact O-N 3.14Å; I5-V19 HydrophobicContact CD1-CG1 4.2Å
6G92.2Very high90.5Very high30 Ų30103 Ų10331%0.30961%0.614SS.*SBendtrans91.4-173.7-179.900000115M1M1-G6 WeakPolarHBondContact CE-O 3.39Å
7L90.8Very high90.6Very high87 Ų8798.8 Ų98.846%0.45560%0.597SS.*  trans-91.6150.2177.2-62.8173.5000110.7T9L7-T9 VanDerWaalsContact C-N 3.32Å
8P92.1Very high90.8Very high101 Ų101102.3 Ų102.366%0.65660%0.599SS**SBendtrans-67.1-36.2173.627-32.6000111.7
9T90.4Very high90.9Very high76 Ų76100.8 Ų100.847%0.46659%0.591SS.*  trans-144.1137.3172.9163.50000108.5L7 R11L7-T9 VanDerWaalsContact C-N 3.32Å; T9-R11 PolarHBondContact O-N 2.97Å; T9-R11 WeakPolarHBondContact OG1-CB 3.19Å; T9-R11 PolarHBondContact OG1-N 3.23Å
10P88.9Confident91Very high66 Ų66102.9 Ų102.943%0.42960%0.595SS.*SBendtrans-70.9-17.3175.928.3-33.5000112.6G12 S13P10-G12 PolarHBondContact O-N 3.15Å; P10-S13 WeakPolarHBondContact O-CB 3.5Å; P10-S13 PolarHBondContact O-N 2.81Å; P10-S13 VanDerWaalsContact O-N 3.1Å; P10-S13 PolarHBondContact O-OG 3.12Å
11R93.7Very high91.1Very high226 Ų226106.5 Ų106.585%0.85360%0.604SS**THydrogen-bonded Turntrans-63.6127.6-178.9-175.4174.1167.579.31110.1T9T9-R11 PolarHBondContact O-N 2.97Å; T9-R11 WeakPolarHBondContact OG1-CB 3.19Å; T9-R11 PolarHBondContact OG1-N 3.23Å
12G94.2Very high91.6Very high85 Ų85104.3 Ų104.388%0.87660%0.595SS**THydrogen-bonded Turntrans90.7-12.7-176.600000114.7P10P10-G12 PolarHBondContact O-N 3.15Å
13S92.1Very high92.3Very high46 Ų46103.4 Ų103.432%0.32260%0.602SS.*THydrogen-bonded Turntrans-84-17.1179.1730000114.6P10 T15P10-S13 WeakPolarHBondContact O-CB 3.5Å; P10-S13 PolarHBondContact O-N 2.81Å; P10-S13 VanDerWaalsContact O-N 3.1Å; P10-S13 PolarHBondContact O-OG 3.12Å; S13-T15 PolarHBondContact O-N 3.49Å; S13-T15 PolarHBondContact OG-N 3.21Å; S13-T15 VanDerWaalsContact OG-N 3.16Å; S13-T15 PolarHBondContact OG-OG1 2.82Å
14G93.5Very high92.4Very high86 Ų86101 Ų10189%0.88760%0.6SS**THydrogen-bonded Turntrans69.59.4-170.800000114.2
15T93.2Very high92.3Very high81 Ų81104.7 Ų104.750%0.49760%0.597SS.*SBendtrans-118.2164177.874.40000111.4S13 G17S13-T15 PolarHBondContact O-N 3.49Å; S13-T15 PolarHBondContact OG-N 3.21Å; S13-T15 VanDerWaalsContact OG-N 3.16Å; S13-T15 PolarHBondContact OG-OG1 2.82Å; T15-G17 PolarHBondContact O-N 3.34Å; T15-G17 PolarHBondContact OG1-N 3.22Å
16N92.1Very high92.1Very high133 Ų133106.6 Ų106.671%0.71161%0.607SS**  trans-73.9-4.5173.564.4-2.4000113.6Y18N16-Y18 VanDerWaalsContact C-N 3.27Å; N16-Y18 PolarHBondContact O-N 3.03Å; N16-Y18 WeakPolarHBondContact OD1-CB 3.48Å; N16-Y18 PolarHBondContact OD1-N 3.03Å; N16-Y18 VanDerWaalsContact OD1-N 3.09Å
17G92.4Very high91.7Very high31 Ų31108.8 Ų108.832%0.3262%0.618SS.*  trans72.812.5-177.700000115.2T15 V19T15-G17 PolarHBondContact O-N 3.34Å; T15-G17 PolarHBondContact OG1-N 3.22Å; G17-V19 PolarHBondContact O-N 2.93Å
18Y93.9Very high91.3Very high162 Ų162111.9 Ų111.964%0.63564%0.635SS**  trans-76.9121.1-178.4-177.9-116.7000111.4N16 Q20N16-Y18 VanDerWaalsContact C-N 3.27Å; N16-Y18 PolarHBondContact O-N 3.03Å; N16-Y18 WeakPolarHBondContact OD1-CB 3.48Å; N16-Y18 PolarHBondContact OD1-N 3.03Å; N16-Y18 VanDerWaalsContact OD1-N 3.09Å; Y18-Q20 HydrophobicContact CD1-CG 4Å; Y18-Q20 HydrophobicContact CE1-CG 3.32Å; Y18-Q20 VanDerWaalsContact CE1-NE2 3.27Å
19V93Very high90.7Very high75 Ų75114.9 Ų114.946%0.45564%0.638SS.*  trans-109.7122.1-178.2-177.80000109.2I5 G17I5-V19 HydrophobicContact CD1-CG1 4.2Å; G17-V19 PolarHBondContact O-N 2.93Å
20Q92.9Very high89.6Confident141 Ų141119.6 Ų119.666%0.65965%0.652SS**  trans-104.1147.6172.7-70.2-176-24.100110.9Y18Y18-Q20 HydrophobicContact CD1-CG 4Å; Y18-Q20 HydrophobicContact CE1-CG 3.32Å; Y18-Q20 VanDerWaalsContact CE1-NE2 3.27Å
21K93.2Very high88.8Confident180 Ų180124.6 Ų124.678%0.78367%0.669SS**  trans-67.2135.9168.7-178178.2176.4-179.30109.1L23K21-L23 PolarHBondContact O-N 2.87Å
22N92.2Very high87.6Confident101 Ų101121.5 Ų121.554%0.5466%0.664SS.*  trans-70112172.1-176.3-0.2000110.2A24 F25N22-A24 VanDerWaalsContact C-N 3.33Å; N22-A24 WeakPolarHBondContact OD1-CB 3.24Å; N22-A24 PolarHBondContact OD1-N 3.13Å; N22-F25 HydrophobicContact CB-CB 4.16Å; N22-F25 PolarHBondContact O-N 2.96Å
23L93.6Very high86.6Confident166 Ų166123.1 Ų123.187%0.86965%0.653SS**THydrogen-bonded Turntrans-75.5-19.6177.4-63.3178.1000113.3K21 F25K21-L23 PolarHBondContact O-N 2.87Å; L23-F25 VanDerWaalsContact C-N 3.28Å
24A93.1Very high85.9Confident82 Ų82126.3 Ų126.368%0.67867%0.673SS**THydrogen-bonded Turntrans-82.9-5.4175.100000112.8N22 I26N22-A24 VanDerWaalsContact C-N 3.33Å; N22-A24 WeakPolarHBondContact OD1-CB 3.24Å; N22-A24 PolarHBondContact OD1-N 3.13Å; A24-I26 PolarHBondContact O-N 3.32Å; A24-I26 VanDerWaalsContact O-N 3.16Å
25F90.1Very high85.2Confident144 Ų144131.2 Ų131.263%0.63267%0.666SS**  trans-76.1104176.1-177.1-98.1000110.2N22 L23N22-F25 HydrophobicContact CB-CB 4.16Å; N22-F25 PolarHBondContact O-N 2.96Å; L23-F25 VanDerWaalsContact C-N 3.28Å
26I85.8Confident84.6Confident140 Ų140135 Ų13572%0.71868%0.675SS**  trans-86.8122.8169.2-56.8173000107.2A24 N28A24-I26 PolarHBondContact O-N 3.32Å; A24-I26 VanDerWaalsContact O-N 3.16Å; I26-N28 PolarHBondContact O-N 3.14Å
27S84.6Confident84.2Confident76 Ų76131.2 Ų131.253%0.53166%0.657SS.*  trans-64.8125.5174.9-177.50000109.7F29S27-F29 PolarHBondContact O-N 3.15Å; S27-F29 VanDerWaalsContact OG-CB 3.31Å; S27-F29 WeakPolarHBondContact OG-CB 3.39Å; S27-F29 PolarHBondContact OG-N 3.43Å
28N83Confident83.9Confident152 Ų152136.7 Ų136.781%0.81367%0.674SS**  trans-74.50.5172.5-64.7-10.6000112.6I26 K30I26-N28 PolarHBondContact O-N 3.14Å; N28-K30 PolarHBondContact O-N 2.92Å
29F78.2Confident83.5Confident164 Ų164135.4 Ų135.472%0.71967%0.674SS**  trans-69.586.8173.2-162.4-94.1000108.5S27 E31S27-F29 PolarHBondContact O-N 3.15Å; S27-F29 VanDerWaalsContact OG-CB 3.31Å; S27-F29 WeakPolarHBondContact OG-CB 3.39Å; S27-F29 PolarHBondContact OG-N 3.43Å; F29-E31 PolarHBondContact O-N 2.93Å
30K68.9Low83Confident175 Ų175134.7 Ų134.776%0.76167%0.668SS**  trans-62.9118.5162.5-67.6-177.4179.5-175.70106.1N28 Q32N28-K30 PolarHBondContact O-N 2.92Å; K30-Q32 PolarHBondContact O-N 3.4Å
31E70.5Confident82.6Confident171 Ų171132 Ų13280%0.79966%0.658SS**  trans-52.8108.3168.7-165.9166.7-163.500106.8F29 N33F29-E31 PolarHBondContact O-N 2.93Å; E31-N33 PolarHBondContact O-N 3.04Å; E31-N33 VanDerWaalsContact O-N 3.09Å
32Q68.8Low82.3Confident160 Ų160129.9 Ų129.975%0.74865%0.649SS**  trans-66.6113.7-178.6-68-68.2-13.800106.5K30K30-Q32 PolarHBondContact O-N 3.4Å
33N73Confident81.9Confident119 Ų119131.9 Ų131.964%0.63665%0.648SS**  trans-56.2130.3177.2-73.7-30.1000108.7E31 Y35E31-N33 PolarHBondContact O-N 3.04Å; E31-N33 VanDerWaalsContact O-N 3.09Å; N33-Y35 PolarHBondContact O-N 3.26Å
34P77.3Confident81.3Confident114 Ų114125.9 Ų125.974%0.7462%0.623SS**SBendtrans-70.51.2-177.427.8-34.2000113.6
35Y80Confident80.8Confident189 Ų189126 Ų12674%0.74161%0.612SS**SBendtrans-117.4139.1180-52.7-72.3000110.3N33 T37N33-Y35 PolarHBondContact O-N 3.26Å; Y35-T37 PolarHBondContact O-N 3.15Å
36K80.6Confident80.4Confident159 Ų159122.1 Ų122.169%0.69161%0.607SS**  trans-63.9122.6173.6-64.7-179.5179.7-178.80108.6D40 L41K36-D40 HydrophobicContact CB-CB 4.22Å; K36-L41 HydrophobicContact CB-CD2 4.21Å; K36-L41 HydrophobicContact CB-CG 4.35Å; K36-L41 HydrophobicContact CD-CD2 4.26Å
37T84.2Confident79.9Confident55 Ų55121.2 Ų121.234%0.33760%0.603SS.*  trans-68161.3175.463.40000110.2Y35 E39 D40 L41Y35-T37 PolarHBondContact O-N 3.15Å; T37-E39 PolarHBondContact O-N 3.45Å; T37-E39 VanDerWaalsContact O-N 3.16Å; T37-D40 PolarHBondContact N-OD2 2.96Å; T37-D40 VanDerWaalsContact N-OD2 3.09Å; T37-D40 WeakPolarHBondContact O-CB 3.47Å; T37-D40 PolarHBondContact O-N 3.17Å; T37-D40 PolarHBondContact OG1-N 2.96Å; T37-D40 PolarHBondContact OG1-OD2 2.96Å; T37-L41 PolarHBondContact O-N 3.47Å
38E85.4Confident79.5Confident145 Ų145122.2 Ų122.268%0.67860%0.602SS**Hα-helixtrans-55.8-31.7174.1-67.6-170.2177.200112.1L41 K42E38-L41 PolarHBondContact O-N 3.37Å; E38-K42 WeakPolarHBondContact O-CB 3.19Å; E38-K42 VanDerWaalsContact O-CG 3.27Å; E38-K42 WeakPolarHBondContact O-CG 3.42Å; E38-K42 PolarHBondContact O-N 3.13Å
39E84.7Confident79.1Confident135 Ų135122 Ų12263%0.63159%0.594SS**Hα-helixtrans-66.9-38.8175-61.3-173.8172.700111.9T37 K42 R43T37-E39 PolarHBondContact O-N 3.45Å; T37-E39 VanDerWaalsContact O-N 3.16Å; E39-K42 PolarHBondContact O-N 3.45Å; E39-R43 VanDerWaalsContact O-CB 3.31Å; E39-R43 WeakPolarHBondContact O-CB 3.45Å; E39-R43 PolarHBondContact O-N 3.21Å
40D84.1Confident79.4Confident60 Ų60119.7 Ų119.732%0.32158%0.583SS.*Hα-helixtrans-69.7-37177.1-60.6-43.8000111.8K36 T37 R43 A44K36-D40 HydrophobicContact CB-CB 4.22Å; T37-D40 PolarHBondContact N-OD2 2.96Å; T37-D40 VanDerWaalsContact N-OD2 3.09Å; T37-D40 WeakPolarHBondContact O-CB 3.47Å; T37-D40 PolarHBondContact O-N 3.17Å; T37-D40 PolarHBondContact OG1-N 2.96Å; T37-D40 PolarHBondContact OG1-OD2 2.96Å; D40-R43 PolarHBondContact O-N 2.82Å; D40-R43 IonicContact OD1-NH1 3.79Å; D40-R43 PolarHBondContact OD1-NH1 2.92Å; D40-A44 WeakPolarHBondContact O-CB 3.44Å; D40-A44 PolarHBondContact O-N 3.3Å
41L84.4Confident80.2Confident86 Ų86118.9 Ų118.945%0.4558%0.582SS.*Hα-helixtrans-63.6-49.3173-66.9174.4000110.9K36 T37 E38 R43 A44 D45K36-L41 HydrophobicContact CB-CD2 4.21Å; K36-L41 HydrophobicContact CB-CG 4.35Å; K36-L41 HydrophobicContact CD-CD2 4.26Å; T37-L41 PolarHBondContact O-N 3.47Å; E38-L41 PolarHBondContact O-N 3.37Å; L41-R43 VanDerWaalsContact C-N 3.29Å; L41-R43 PolarHBondContact O-N 3.3Å; L41-A44 PolarHBondContact O-N 3.49Å; L41-A44 VanDerWaalsContact O-N 3.15Å; L41-D45 PolarHBondContact O-N 3.22Å
42K84.9Confident81.1Confident135 Ų135112.3 Ų112.359%0.58755%0.554SS**Hα-helixtrans-59.2-40176.1-74171.1-174.3168.50112.2E38 E39 A46E38-K42 WeakPolarHBondContact O-CB 3.19Å; E38-K42 VanDerWaalsContact O-CG 3.27Å; E38-K42 WeakPolarHBondContact O-CG 3.42Å; E38-K42 PolarHBondContact O-N 3.13Å; E39-K42 PolarHBondContact O-N 3.45Å; K42-A46 VanDerWaalsContact O-CB 3.26Å; K42-A46 WeakPolarHBondContact O-CB 3.19Å; K42-A46 PolarHBondContact O-N 3.5Å
43R84Confident82.1Confident142 Ų142107.6 Ų107.654%0.53653%0.534SS..Hα-helixtrans-66.9-41.3176.8-165.8-176.4-63.3123.12.9111.3E39 D40 L41 A46 L47E39-R43 VanDerWaalsContact O-CB 3.31Å; E39-R43 WeakPolarHBondContact O-CB 3.45Å; E39-R43 PolarHBondContact O-N 3.21Å; D40-R43 PolarHBondContact O-N 2.82Å; D40-R43 IonicContact OD1-NH1 3.79Å; D40-R43 PolarHBondContact OD1-NH1 2.92Å; L41-R43 VanDerWaalsContact C-N 3.29Å; L41-R43 PolarHBondContact O-N 3.3Å; R43-A46 PolarHBondContact O-N 3.44Å; R43-L47 VanDerWaalsContact O-CG 3.3Å; R43-L47 WeakPolarHBondContact O-CG 3.36Å; R43-L47 PolarHBondContact O-N 3.18Å; R43-L47 VanDerWaalsContact O-N 3.09Å
44A82.6Confident82.8Confident40 Ų40109.4 Ų109.433%0.33154%0.536SS..Hα-helixtrans-64.3-45.3176.200000111.8D40 L41 L47 L48D40-A44 WeakPolarHBondContact O-CB 3.44Å; D40-A44 PolarHBondContact O-N 3.3Å; L41-A44 PolarHBondContact O-N 3.49Å; L41-A44 VanDerWaalsContact O-N 3.15Å; A44-L47 PolarHBondContact O-N 3.41Å; A44-L48 WeakPolarHBondContact O-CG 3.37Å; A44-L48 PolarHBondContact O-N 2.96Å; A44-L48 VanDerWaalsContact O-N 3.14Å
45D82.5Confident83.5Confident84 Ų84110.9 Ų110.945%0.44953%0.533SS..Hα-helixtrans-62.1-44.9176.1-71.4-15.7000111L41 L47 L48 F49L41-D45 PolarHBondContact O-N 3.22Å; D45-L47 VanDerWaalsContact C-N 3.25Å; D45-L47 PolarHBondContact O-N 3.27Å; D45-L48 PolarHBondContact O-N 2.97Å; D45-F49 HydrophobicContact CB-CD2 4.46Å; D45-F49 HydrophobicContact CB-CE2 4.47Å; D45-F49 WeakPolarHBondContact O-CD2 3.43Å; D45-F49 PolarHBondContact O-N 3.44Å
46A80.2Confident83.9Confident63 Ų63105.5 Ų105.552%0.52152%0.517SS..Hα-helixtrans-59.6-34.6176.700000112.9K42 R43 K50K42-A46 VanDerWaalsContact O-CB 3.26Å; K42-A46 WeakPolarHBondContact O-CB 3.19Å; K42-A46 PolarHBondContact O-N 3.5Å; R43-A46 PolarHBondContact O-N 3.44Å; A46-K50 WeakPolarHBondContact O-CB 3.43Å; A46-K50 PolarHBondContact O-N 3.21Å; A46-K50 VanDerWaalsContact O-N 3.13Å
47L75.9Confident84.3Confident122 Ų12299.3 Ų99.364%0.63949%0.491SS*.Hα-helixtrans-70.7-33.8175.3-71.1171.3000112.6R43 A44 D45R43-L47 VanDerWaalsContact O-CG 3.3Å; R43-L47 WeakPolarHBondContact O-CG 3.36Å; R43-L47 PolarHBondContact O-N 3.18Å; R43-L47 VanDerWaalsContact O-N 3.09Å; A44-L47 PolarHBondContact O-N 3.41Å; D45-L47 VanDerWaalsContact C-N 3.25Å; D45-L47 PolarHBondContact O-N 3.27Å
48L75.7Confident84.6Confident97 Ų97100.5 Ų100.551%0.50849%0.493SS..Hα-helixtrans-72.7-33.6178.6-69.8169.7000112.6A44 D45A44-L48 WeakPolarHBondContact O-CG 3.37Å; A44-L48 PolarHBondContact O-N 2.96Å; A44-L48 VanDerWaalsContact O-N 3.14Å; D45-L48 PolarHBondContact O-N 2.97Å
49F75.4Confident85Confident148 Ų14899.2 Ų99.265%0.64949%0.486SS*.SBendtrans-102.69.5-177.9-60.6-67.4000114.3D45 E51D45-F49 HydrophobicContact CB-CD2 4.46Å; D45-F49 HydrophobicContact CB-CE2 4.47Å; D45-F49 WeakPolarHBondContact O-CD2 3.43Å; D45-F49 PolarHBondContact O-N 3.44Å; F49-E51 PolarHBondContact O-N 3.06Å
50K83.9Confident85.2Confident114 Ų11494.9 Ų94.950%0.49647%0.466SS..PPolyproline II helixtrans-66.1127178.5-170.3175.3-179.7-177.10110.6A46 A134A46-K50 WeakPolarHBondContact O-CB 3.43Å; A46-K50 PolarHBondContact O-N 3.21Å; A46-K50 VanDerWaalsContact O-N 3.13Å; K50-A134 WeakPolarHBondContact O-CB 3.4Å
51E86.2Confident85.5Confident159 Ų15994.8 Ų94.874%0.74346%0.461SS*.PPolyproline II helixtrans-66.3141.9176.3-65.2-173.2168.100111.9F49F49-E51 PolarHBondContact O-N 3.06Å
52P88.4Confident85.9Confident32 Ų3296 Ų9621%0.20846%0.463CS..PPolyproline II helixtrans-69.5134.9173.728-33.9000110.3K54 L57 A134 A135 I138P52-K54 PolarHBondContact O-N 3.41Å; P52-L57 HydrophobicContact CB-CD1 3.85Å; P52-A134 HydrophobicContact CB-CB 4.12Å; P52-A135 HydrophobicContact CB-CB 4.14Å; P52-A135 HydrophobicContact CG-CB 4.27Å; P52-I138 HydrophobicContact CG-CD1 3.98Å
53N90Very high86.4Confident61 Ų6195.9 Ų95.933%0.32646%0.459SS..PPolyproline II helixtrans-77.1116.7172.9-175.2-15.2000108.5E55 I56 L57 H131N53-E55 VanDerWaalsContact C-N 3.32Å; N53-E55 PolarHBondContact O-N 3.41Å; N53-E55 WeakPolarHBondContact OD1-CB 3.48Å; N53-E55 PolarHBondContact OD1-N 3.3Å; N53-I56 HydrophobicContact CB-CB 4.27Å; N53-I56 HydrophobicContact CB-CD1 3.96Å; N53-I56 HydrophobicContact CB-CG1 4.17Å; N53-I56 PolarHBondContact O-N 2.97Å; N53-L57 PolarHBondContact O-N 2.93Å; N53-L57 VanDerWaalsContact O-N 3.16Å; N53-H131 PolarHBondContact N-ND1 2.87Å
54K89.3Confident86.7Confident157 Ų15791.9 Ų91.968%0.68345%0.445SS*.Hα-helixtrans-61.3-40.2-177.9-62.8179.4-176.91770111.8P52 I56 L57 E58P52-K54 PolarHBondContact O-N 3.41Å; K54-I56 VanDerWaalsContact C-N 3.31Å; K54-I56 PolarHBondContact O-N 2.95Å; K54-L57 PolarHBondContact O-N 3.36Å; K54-E58 WeakPolarHBondContact O-CB 3.44Å; K54-E58 VanDerWaalsContact O-CG 3.3Å; K54-E58 WeakPolarHBondContact O-CG 3.47Å; K54-E58 PolarHBondContact O-N 3.32Å
55E90.2Very high87.3Confident145 Ų14590.6 Ų90.668%0.67843%0.433SS*.Hα-helixtrans-62.2-40.4-179.9-62.2175.4178.100111.5N53 E58 H59N53-E55 VanDerWaalsContact C-N 3.32Å; N53-E55 PolarHBondContact O-N 3.41Å; N53-E55 WeakPolarHBondContact OD1-CB 3.48Å; N53-E55 PolarHBondContact OD1-N 3.3Å; E55-E58 PolarHBondContact O-N 3.41Å; E55-H59 VanDerWaalsContact O-CB 3.27Å; E55-H59 WeakPolarHBondContact O-CB 3.5Å; E55-H59 PolarHBondContact O-N 3.43Å
56I89.9Confident87.9Confident77 Ų7790.3 Ų90.340%0.39543%0.429SS..Hα-helixtrans-69.5-40.6178.5-65.9173.3000110.6N53 K54 H59 E60 H131N53-I56 HydrophobicContact CB-CB 4.27Å; N53-I56 HydrophobicContact CB-CD1 3.96Å; N53-I56 HydrophobicContact CB-CG1 4.17Å; N53-I56 PolarHBondContact O-N 2.97Å; K54-I56 VanDerWaalsContact C-N 3.31Å; K54-I56 PolarHBondContact O-N 2.95Å; I56-H59 PolarHBondContact O-N 3.19Å; I56-E60 PolarHBondContact O-N 3.47Å; I56-H131 VanDerWaalsContact CD1-CD2 3.4Å; I56-H131 WeakPolarHBondContact CD1-CD2 3.31Å; I56-H131 VanDerWaalsContact CD1-NE2 3.28Å; I56-H131 WeakPolarHBondContact CD1-NE2 3.44Å; I56-H131 HydrophobicContact CG2-CB 4.32Å
57L88.5Confident88.7Confident29 Ų2990.3 Ų90.315%0.15242%0.422CS..Hα-helixtrans-64-45.8175.5-70179.1000111.5P52 N53 K54 H59 E60 R61 H131 E132 A135P52-L57 HydrophobicContact CB-CD1 3.85Å; N53-L57 PolarHBondContact O-N 2.93Å; N53-L57 VanDerWaalsContact O-N 3.16Å; K54-L57 PolarHBondContact O-N 3.36Å; L57-H59 VanDerWaalsContact C-N 3.33Å; L57-H59 PolarHBondContact O-N 3.35Å; L57-E60 PolarHBondContact O-N 2.93Å; L57-R61 WeakPolarHBondContact O-CG 3.31Å; L57-R61 PolarHBondContact O-N 2.97Å; L57-H131 HydrophobicContact CD2-CB 4.18Å; L57-H131 HydrophobicContact CG-CB 4.4Å; L57-E132 HydrophobicContact CD2-CB 4.49Å; L57-E132 HydrophobicContact CD2-CG 3.82Å; L57-A135 HydrophobicContact CD1-CB 4.12Å
58E90.8Very high89.7Confident79 Ų7989.5 Ų89.537%0.36941%0.414SS..Hα-helixtrans-61.7-40.7176.4-74169.8-157.100112K54 E55 E60 R61 K62K54-E58 WeakPolarHBondContact O-CB 3.44Å; K54-E58 VanDerWaalsContact O-CG 3.3Å; K54-E58 WeakPolarHBondContact O-CG 3.47Å; K54-E58 PolarHBondContact O-N 3.32Å; E55-E58 PolarHBondContact O-N 3.41Å; E58-E60 VanDerWaalsContact C-N 3.35Å; E58-R61 PolarHBondContact O-N 2.87Å; E58-K62 WeakPolarHBondContact O-CG 3.4Å; E58-K62 PolarHBondContact O-N 3.2Å
59H93Very high90.7Very high118 Ų11885 Ų8555%0.54639%0.39SS..Hα-helixtrans-60.9-44.4173.6-178.7-93.2000111.3E55 I56 L57 R61 K62 R63E55-H59 VanDerWaalsContact O-CB 3.27Å; E55-H59 WeakPolarHBondContact O-CB 3.5Å; E55-H59 PolarHBondContact O-N 3.43Å; I56-H59 PolarHBondContact O-N 3.19Å; L57-H59 VanDerWaalsContact C-N 3.33Å; L57-H59 PolarHBondContact O-N 3.35Å; H59-R61 VanDerWaalsContact C-N 3.31Å; H59-R61 PolarHBondContact O-N 3.21Å; H59-K62 PolarHBondContact O-N 3.2Å; H59-R63 VanDerWaalsContact O-CB 3.28Å; H59-R63 WeakPolarHBondContact O-CB 3.4Å; H59-R63 PolarHBondContact O-N 2.86Å
60E90Very high91.7Very high44 Ų4483.1 Ų83.121%0.20638%0.382CS..Hα-helixtrans-64.9-35.7177.9-162.161.4-16200111.9I56 L57 E58 R63 K64I56-E60 PolarHBondContact O-N 3.47Å; L57-E60 PolarHBondContact O-N 2.93Å; E58-E60 VanDerWaalsContact C-N 3.35Å; E60-R63 PolarHBondContact O-N 3.21Å; E60-R63 IonicContact OE1-NH1 3.21Å; E60-R63 PolarHBondContact OE1-NH1 2.86Å; E60-R63 IonicContact OE2-NH1 2.96Å; E60-K64 WeakPolarHBondContact O-CG 3.35Å; E60-K64 PolarHBondContact O-N 2.85Å
61R90.1Very high92.3Very high58 Ų5882.4 Ų82.422%0.21938%0.38CS..Hα-helixtrans-62.3-47.8171.9-55.7-160179.3112.812.6112L57 E58 H59 R63 K64 I65 L101 E105 E116L57-R61 WeakPolarHBondContact O-CG 3.31Å; L57-R61 PolarHBondContact O-N 2.97Å; E58-R61 PolarHBondContact O-N 2.87Å; H59-R61 VanDerWaalsContact C-N 3.31Å; H59-R61 PolarHBondContact O-N 3.21Å; R61-R63 VanDerWaalsContact C-N 3.35Å; R61-R63 PolarHBondContact O-N 3.44Å; R61-K64 WeakPolarHBondContact O-CB 3.28Å; R61-K64 PolarHBondContact O-N 3.49Å; R61-I65 PolarHBondContact O-N 3.49Å; R61-L101 HydrophobicContact CB-CD1 3.56Å; R61-E105 IonicContact NH1-OE1 3.52Å; R61-E105 PolarHBondContact NH1-OE1 3.49Å; R61-E105 VanDerWaalsContact NH1-OE1 3.12Å; R61-E116 VanDerWaalsContact CG-OE2 3.22Å; R61-E116 WeakPolarHBondContact CG-OE2 3.43Å; R61-E116 IonicContact NE-OE2 3.93Å
62K92.9Very high92.8Very high111 Ų11176.5 Ų76.548%0.48335%0.353SS..Hα-helixtrans-62.9-41.6177.4-71.5175.2-176.41720111.7E58 H59 K64 I65 E66E58-K62 WeakPolarHBondContact O-CG 3.4Å; E58-K62 PolarHBondContact O-N 3.2Å; H59-K62 PolarHBondContact O-N 3.2Å; K62-K64 VanDerWaalsContact C-N 3.32Å; K62-K64 PolarHBondContact O-N 3.39Å; K62-I65 WeakPolarHBondContact O-CB 3.5Å; K62-I65 PolarHBondContact O-N 2.79Å; K62-E66 PolarHBondContact O-N 3.47Å
63R94.3Very high93.2Very high134 Ų13477.4 Ų77.451%0.50635%0.354SS..Hα-helixtrans-58.5-43.4174.9-177.5-178.4175.7-117.9-3.5111.5H59 E60 R61 I65 E66 V67H59-R63 VanDerWaalsContact O-CB 3.28Å; H59-R63 WeakPolarHBondContact O-CB 3.4Å; H59-R63 PolarHBondContact O-N 2.86Å; E60-R63 PolarHBondContact O-N 3.21Å; E60-R63 IonicContact OE1-NH1 3.21Å; E60-R63 PolarHBondContact OE1-NH1 2.86Å; E60-R63 IonicContact OE2-NH1 2.96Å; R61-R63 VanDerWaalsContact C-N 3.35Å; R61-R63 PolarHBondContact O-N 3.44Å; R63-I65 VanDerWaalsContact C-N 3.25Å; R63-I65 PolarHBondContact O-N 3.11Å; R63-E66 PolarHBondContact O-N 3.18Å; R63-V67 WeakPolarHBondContact O-CG2 3.37Å; R63-V67 PolarHBondContact O-N 3.42Å
64K91.9Very high93.5Very high57 Ų5778.4 Ų78.425%0.24836%0.357CS..Hα-helixtrans-59.6-35.2174.8-72.7169.7-173169.30112.4E60 R61 K62 K68 E116 E132E60-K64 WeakPolarHBondContact O-CG 3.35Å; E60-K64 PolarHBondContact O-N 2.85Å; R61-K64 WeakPolarHBondContact O-CB 3.28Å; R61-K64 PolarHBondContact O-N 3.49Å; K62-K64 VanDerWaalsContact C-N 3.32Å; K62-K64 PolarHBondContact O-N 3.39Å; K64-K68 WeakPolarHBondContact O-CG 3.33Å; K64-K68 PolarHBondContact O-N 3.24Å; K64-E116 PolarHBondContact NZ-O 3.44Å; K64-E132 IonicContact NZ-OE1 2.99Å
65I94.2Very high93.8Very high13 Ų1376.2 Ų76.27%0.06735%0.349CS..Hα-helixtrans-66.7-47.6174.3-66.5173.4000110.6R61 K62 R63 V67 K68 C69 L97 L98 L101R61-I65 PolarHBondContact O-N 3.49Å; K62-I65 WeakPolarHBondContact O-CB 3.5Å; K62-I65 PolarHBondContact O-N 2.79Å; R63-I65 VanDerWaalsContact C-N 3.25Å; R63-I65 PolarHBondContact O-N 3.11Å; I65-V67 VanDerWaalsContact C-N 3.31Å; I65-V67 PolarHBondContact O-N 3.3Å; I65-K68 PolarHBondContact O-N 3.42Å; I65-C69 PolarHBondContact O-N 2.95Å; I65-C69 PolarHBondContact O-SG 3.39Å; I65-L97 HydrophobicContact CB-CB 4.49Å; I65-L97 HydrophobicContact CD1-CB 4.25Å; I65-L97 HydrophobicContact CG1-CB 4.12Å; I65-L97 HydrophobicContact CG2-CB 3.71Å; I65-L97 HydrophobicContact CG2-CD1 3.94Å; I65-L98 HydrophobicContact CD1-CD2 3.8Å; I65-L98 HydrophobicContact CD1-CG 4.35Å; I65-L98 HydrophobicContact CG2-CG 4.49Å; I65-L101 HydrophobicContact CD1-CB 3.98Å; I65-L101 HydrophobicContact CD1-CD1 3.55Å; I65-L101 HydrophobicContact CD1-CG 4.41Å
66E96.1Very high94.2Very high79 Ų7970.3 Ų70.337%0.36932%0.322SS..Hα-helixtrans-64.9-35.6179.3-63.6-55.9152.500112.1K62 R63 K68 C69 F70 R94K62-E66 PolarHBondContact O-N 3.47Å; R63-E66 PolarHBondContact O-N 3.18Å; E66-K68 PolarHBondContact O-N 2.94Å; E66-C69 PolarHBondContact O-N 3.49Å; E66-F70 WeakPolarHBondContact O-CB 3.37Å; E66-F70 PolarHBondContact O-N 2.64Å; E66-R94 IonicContact OE1-NE 2.96Å; E66-R94 PolarHBondContact OE1-NE 3.35Å; E66-R94 IonicContact OE2-CZ 3.12Å; E66-R94 IonicContact OE2-NE 2.87Å; E66-R94 PolarHBondContact OE2-NE 3.24Å; E66-R94 IonicContact OE2-NH2 3.95Å; E66-R94 PolarHBondContact OE2-NH2 2.98Å
67V96.1Very high94.4Very high62 Ų6271.5 Ų71.538%0.37633%0.326SS..Hα-helixtrans-59.1-47.4172.2170.30000110.9R63 I65 C69 F70 E71R63-V67 WeakPolarHBondContact O-CG2 3.37Å; R63-V67 PolarHBondContact O-N 3.42Å; I65-V67 VanDerWaalsContact C-N 3.31Å; I65-V67 PolarHBondContact O-N 3.3Å; V67-C69 VanDerWaalsContact C-N 3.29Å; V67-C69 PolarHBondContact O-N 3.02Å; V67-F70 WeakPolarHBondContact O-CB 3.39Å; V67-F70 PolarHBondContact O-N 3.09Å; V67-E71 HydrophobicContact CG1-CG 4.45Å; V67-E71 WeakPolarHBondContact O-CG 3.36Å; V67-E71 PolarHBondContact O-N 3.06Å
68K96.3Very high94.8Very high106 Ų10678.1 Ų78.146%0.46136%0.356SS..Hα-helixtrans-63-36.5176.1-70175.9178.6-177.10112.7K64 I65 E66 F70 M72 F93 L97K64-K68 WeakPolarHBondContact O-CG 3.33Å; K64-K68 PolarHBondContact O-N 3.24Å; I65-K68 PolarHBondContact O-N 3.42Å; E66-K68 PolarHBondContact O-N 2.94Å; K68-F70 VanDerWaalsContact C-N 3.34Å; K68-M72 PolarHBondContact O-N 3.14Å; K68-M72 VanDerWaalsContact O-N 3.11Å; K68-F93 HydrophobicContact CB-CE1 4.05Å; K68-L97 HydrophobicContact CB-CD1 4.03Å; K68-L97 HydrophobicContact CD-CD1 3.99Å
69C96.7Very high95Very high1 Ų180.3 Ų80.31%0.00737%0.366CS..Hα-helixtrans-66.3-40.6176.5-65.80000111.1I65 E66 V67 M72 E73 V90I65-C69 PolarHBondContact O-N 2.95Å; I65-C69 PolarHBondContact O-SG 3.39Å; E66-C69 PolarHBondContact O-N 3.49Å; V67-C69 VanDerWaalsContact C-N 3.29Å; V67-C69 PolarHBondContact O-N 3.02Å; C69-M72 PolarHBondContact O-N 3.48Å; C69-E73 WeakPolarHBondContact O-CB 3.27Å; C69-E73 PolarHBondContact O-N 3.37Å; C69-V90 HydrophobicContact CB-CG1 4.01Å
70F97Very high95.1Very high110 Ų11077.7 Ų77.748%0.48237%0.372SS..Hα-helixtrans-68-41.8176.4-177.4-103.5000112.3E66 V67 K68 M72 E73 Q74E66-F70 WeakPolarHBondContact O-CB 3.37Å; E66-F70 PolarHBondContact O-N 2.64Å; V67-F70 WeakPolarHBondContact O-CB 3.39Å; V67-F70 PolarHBondContact O-N 3.09Å; K68-F70 VanDerWaalsContact C-N 3.34Å; F70-M72 VanDerWaalsContact C-N 3.33Å; F70-M72 PolarHBondContact O-N 3.38Å; F70-E73 WeakPolarHBondContact O-CB 3.44Å; F70-E73 PolarHBondContact O-N 2.87Å; F70-Q74 HydrophobicContact CD1-CG 4.36Å; F70-Q74 HydrophobicContact CE1-CG 4.01Å; F70-Q74 HydrophobicContact CE2-CG 4.47Å; F70-Q74 HydrophobicContact CZ-CG 4.08Å; F70-Q74 WeakPolarHBondContact O-CG 3.3Å; F70-Q74 PolarHBondContact O-N 2.97Å
71E97Very high95.4Very high98 Ų9881.1 Ų81.146%0.45838%0.383SS..Hα-helixtrans-57.3-46.3172.8-73.7169.3174.400111V67 E73 Q74 E75V67-E71 HydrophobicContact CG1-CG 4.45Å; V67-E71 WeakPolarHBondContact O-CG 3.36Å; V67-E71 PolarHBondContact O-N 3.06Å; E71-E73 VanDerWaalsContact C-N 3.35Å; E71-E73 PolarHBondContact O-N 3.19Å; E71-Q74 PolarHBondContact O-N 3.47Å; E71-E75 WeakPolarHBondContact O-CG 3.22Å; E71-E75 PolarHBondContact O-N 3.31Å
72M96.2Very high95.7Very high36 Ų3682.1 Ų82.118%0.17740%0.396CS..Hα-helixtrans-66.3-35.5177.2-168.8-174.973.200112.9K68 C69 F70 M76 R89 V90 F93K68-M72 PolarHBondContact O-N 3.14Å; K68-M72 VanDerWaalsContact O-N 3.11Å; C69-M72 PolarHBondContact O-N 3.48Å; F70-M72 VanDerWaalsContact C-N 3.33Å; F70-M72 PolarHBondContact O-N 3.38Å; M72-M76 HydrophobicContact CE-CE 3.98Å; M72-M76 HydrophobicContact CG-CE 4.31Å; M72-M76 WeakPolarHBondContact O-CG 3.49Å; M72-M76 PolarHBondContact O-N 2.93Å; M72-M76 VanDerWaalsContact O-N 3.13Å; M72-R89 HydrophobicContact CE-CB 4.48Å; M72-V90 HydrophobicContact CE-CB 3.93Å; M72-V90 HydrophobicContact CE-CG2 3.48Å; M72-V90 VanDerWaalsContact CE-CG2 3.48Å; M72-F93 HydrophobicContact CE-CB 3.55Å; M72-F93 HydrophobicContact CE-CD1 3.9Å; M72-F93 HydrophobicContact CE-CG 3.92Å; M72-F93 HydrophobicContact SD-CB 3.9Å; M72-F93 HydrophobicContact SD-CD1 3.77Å; M72-F93 HydrophobicContact SD-CD2 4.24Å; M72-F93 HydrophobicContact SD-CE1 4.29Å; M72-F93 HydrophobicContact SD-CG 3.73Å
73E96.4Very high95.8Very high51 Ų5181.2 Ų81.224%0.23839%0.394CS..Hα-helixtrans-61.4-50.6173.8-177.1169.7-15800110.6C69 F70 E71 E75 M76 E77 I86 V90C69-E73 WeakPolarHBondContact O-CB 3.27Å; C69-E73 PolarHBondContact O-N 3.37Å; F70-E73 WeakPolarHBondContact O-CB 3.44Å; F70-E73 PolarHBondContact O-N 2.87Å; E71-E73 VanDerWaalsContact C-N 3.35Å; E71-E73 PolarHBondContact O-N 3.19Å; E73-E75 PolarHBondContact O-N 3.16Å; E73-M76 PolarHBondContact O-N 3.43Å; E73-M76 VanDerWaalsContact O-N 3.14Å; E73-E77 WeakPolarHBondContact O-CG 3.35Å; E73-E77 PolarHBondContact O-N 3.33Å; E73-I86 HydrophobicContact CB-CG2 4.49Å; E73-I86 HydrophobicContact CG-CG2 3.83Å; E73-V90 HydrophobicContact CB-CG2 3.98Å
74Q96.7Very high95.9Very high81 Ų8179.2 Ų79.238%0.37940%0.4SS..Hα-helixtrans-58.5-45.4176.3-70.3-172-35.400112.4F70 E71 M76 E77 E78F70-Q74 HydrophobicContact CD1-CG 4.36Å; F70-Q74 HydrophobicContact CE1-CG 4.01Å; F70-Q74 HydrophobicContact CE2-CG 4.47Å; F70-Q74 HydrophobicContact CZ-CG 4.08Å; F70-Q74 WeakPolarHBondContact O-CG 3.3Å; F70-Q74 PolarHBondContact O-N 2.97Å; E71-Q74 PolarHBondContact O-N 3.47Å; Q74-M76 VanDerWaalsContact C-N 3.27Å; Q74-M76 PolarHBondContact O-N 2.87Å; Q74-E77 PolarHBondContact O-N 3.16Å; Q74-E78 WeakPolarHBondContact O-CG 3.39Å; Q74-E78 PolarHBondContact O-N 3.21Å
75E96.5Very high96.1Very high112 Ų11281 Ų8152%0.52341%0.409SS..Hα-helixtrans-60.2-35.8177.3-75.3178.1-177.500112.6E71 E73 Q79E71-E75 WeakPolarHBondContact O-CG 3.22Å; E71-E75 PolarHBondContact O-N 3.31Å; E73-E75 PolarHBondContact O-N 3.16Å; E75-Q79 WeakPolarHBondContact O-CB 3.46Å; E75-Q79 WeakPolarHBondContact O-CG 3.42Å; E75-Q79 PolarHBondContact O-N 3.22Å; E75-Q79 VanDerWaalsContact O-N 3.17Å; E75-Q79 PolarHBondContact O-NE2 3.38Å
76M96.6Very high96.1Very high20 Ų2080.5 Ų80.510%0.09941%0.407CS..Hα-helixtrans-79.2-33.1177.9-70.9-168.9-62.100112.8M72 E73 Q74 Q79 G80 Y81 I86 R89 V90M72-M76 HydrophobicContact CE-CE 3.98Å; M72-M76 HydrophobicContact CG-CE 4.31Å; M72-M76 WeakPolarHBondContact O-CG 3.49Å; M72-M76 PolarHBondContact O-N 2.93Å; M72-M76 VanDerWaalsContact O-N 3.13Å; E73-M76 PolarHBondContact O-N 3.43Å; E73-M76 VanDerWaalsContact O-N 3.14Å; Q74-M76 VanDerWaalsContact C-N 3.27Å; Q74-M76 PolarHBondContact O-N 2.87Å; M76-Q79 PolarHBondContact O-N 3.05Å; M76-G80 PolarHBondContact O-N 3.44Å; M76-G80 VanDerWaalsContact O-N 3.15Å; M76-Y81 HydrophobicContact CB-CD2 3.7Å; M76-Y81 HydrophobicContact CB-CE2 4.4Å; M76-Y81 HydrophobicContact CB-CG 4.41Å; M76-Y81 HydrophobicContact CG-CD2 3.91Å; M76-Y81 HydrophobicContact CG-CE2 4.18Å; M76-Y81 WeakPolarHBondContact O-CD2 3.46Å; M76-Y81 PolarHBondContact O-N 3Å; M76-Y81 VanDerWaalsContact O-N 3.12Å; M76-I86 HydrophobicContact CB-CD1 4.23Å; M76-I86 HydrophobicContact CB-CG1 3.81Å; M76-I86 HydrophobicContact CE-CB 4.11Å; M76-I86 HydrophobicContact CE-CG1 4.23Å; M76-I86 HydrophobicContact CE-CG2 3.9Å; M76-R89 HydrophobicContact CE-CB 3.87Å; M76-R89 HydrophobicContact SD-CB 3.87Å; M76-R89 HydrophobicContact SD-CG 4.17Å; M76-V90 HydrophobicContact CE-CG2 3.63Å
77E95.3Very high96.2Very high103 Ų10382.1 Ų82.148%0.48141%0.414SS..Hα-helixtrans-62.2-44.7170.6-72.3-178.6171.900110.9E73 Q74 Q79 G80 I86E73-E77 WeakPolarHBondContact O-CG 3.35Å; E73-E77 PolarHBondContact O-N 3.33Å; Q74-E77 PolarHBondContact O-N 3.16Å; E77-Q79 VanDerWaalsContact C-N 3.3Å; E77-Q79 PolarHBondContact O-N 2.85Å; E77-G80 PolarHBondContact O-N 3Å; E77-I86 HydrophobicContact CG-CD1 3.79Å
78E96.2Very high96.2Very high168 Ų16886.2 Ų86.279%0.78543%0.427SS*.Hα-helixtrans-63.2-34.5176.5-73.3-179.3-176.500112.7Q74 G80Q74-E78 WeakPolarHBondContact O-CG 3.39Å; Q74-E78 PolarHBondContact O-N 3.21Å; E78-G80 PolarHBondContact O-N 2.96Å
79Q96.3Very high96.2Very high124 Ų12489.1 Ų89.158%0.57944%0.435SS*.THydrogen-bonded Turntrans-76-9.9174.5-73.2170.550.300113.5E75 M76 E77 Y81E75-Q79 WeakPolarHBondContact O-CB 3.46Å; E75-Q79 WeakPolarHBondContact O-CG 3.42Å; E75-Q79 PolarHBondContact O-N 3.22Å; E75-Q79 VanDerWaalsContact O-N 3.17Å; E75-Q79 PolarHBondContact O-NE2 3.38Å; M76-Q79 PolarHBondContact O-N 3.05Å; E77-Q79 VanDerWaalsContact C-N 3.3Å; E77-Q79 PolarHBondContact O-N 2.85Å; Q79-Y81 HydrophobicContact CB-CD2 3.78Å; Q79-Y81 HydrophobicContact CB-CE2 3.58Å; Q79-Y81 HydrophobicContact CG-CE2 4.37Å; Q79-Y81 VanDerWaalsContact OE1-CE2 3.25Å; Q79-Y81 PolarHBondContact OE1-OH 3.25Å
80G94.7Very high96.2Very high64 Ų6489.3 Ų89.366%0.6644%0.437SS*.THydrogen-bonded Turntrans78.528.4176.800000114.9M76 E77 E78M76-G80 PolarHBondContact O-N 3.44Å; M76-G80 VanDerWaalsContact O-N 3.15Å; E77-G80 PolarHBondContact O-N 3Å; E78-G80 PolarHBondContact O-N 2.96Å
81Y95.7Very high96.2Very high115 Ų11586.2 Ų86.245%0.45143%0.428SS..  trans-66.7158.3171.2-71-83.1000111.7M76 Q79M76-Y81 HydrophobicContact CB-CD2 3.7Å; M76-Y81 HydrophobicContact CB-CE2 4.4Å; M76-Y81 HydrophobicContact CB-CG 4.41Å; M76-Y81 HydrophobicContact CG-CD2 3.91Å; M76-Y81 HydrophobicContact CG-CE2 4.18Å; M76-Y81 WeakPolarHBondContact O-CD2 3.46Å; M76-Y81 PolarHBondContact O-N 3Å; M76-Y81 VanDerWaalsContact O-N 3.12Å; Q79-Y81 HydrophobicContact CB-CD2 3.78Å; Q79-Y81 HydrophobicContact CB-CE2 3.58Å; Q79-Y81 HydrophobicContact CG-CE2 4.37Å; Q79-Y81 VanDerWaalsContact OE1-CE2 3.25Å; Q79-Y81 PolarHBondContact OE1-OH 3.25Å
82T96.3Very high96.2Very high79 Ų7983.4 Ų83.449%0.48543%0.426SS..  trans-73.8146.8174.964.20000111S84 E85 I86T82-S84 PolarHBondContact O-N 3.46Å; T82-S84 VanDerWaalsContact O-N 3.15Å; T82-E85 PolarHBondContact N-OE2 3.38Å; T82-E85 WeakPolarHBondContact O-CB 3.39Å; T82-E85 PolarHBondContact O-N 3.08Å; T82-E85 WeakPolarHBondContact OG1-CG 3.42Å; T82-E85 PolarHBondContact OG1-OE2 3.33Å; T82-I86 WeakPolarHBondContact O-CG1 3.32Å; T82-I86 PolarHBondContact O-N 2.98Å
83Q95.1Very high96.3Very high93 Ų9384.6 Ų84.644%0.43543%0.43SS..Hα-helixtrans-52.2-41-179.5-172.561.526.700112.8E85 I86 E87Q83-E85 VanDerWaalsContact C-N 3.34Å; Q83-E85 PolarHBondContact O-N 3.12Å; Q83-I86 WeakPolarHBondContact O-CB 3.49Å; Q83-I86 PolarHBondContact O-N 3.2Å; Q83-E87 WeakPolarHBondContact CG-OE1 3.32Å; Q83-E87 PolarHBondContact NE2-OE1 2.78Å; Q83-E87 VanDerWaalsContact NE2-OE1 3.15Å; Q83-E87 WeakPolarHBondContact O-CG 3.29Å; Q83-E87 PolarHBondContact O-N 2.82Å
84S95.7Very high96.3Very high92 Ų9286.2 Ų86.264%0.64343%0.434SS*.Hα-helixtrans-63.2-37.8178.4-52.70000113T82 F88T82-S84 PolarHBondContact O-N 3.46Å; T82-S84 VanDerWaalsContact O-N 3.15Å; S84-F88 WeakPolarHBondContact O-CB 3.18Å; S84-F88 PolarHBondContact O-N 2.84Å
85E96Very high96.3Very high95 Ų9589 Ų8944%0.44445%0.445SS..Hα-helixtrans-71.3-41.8176.8-71.2167.6150.900111T82 Q83 F88 R89T82-E85 PolarHBondContact N-OE2 3.38Å; T82-E85 WeakPolarHBondContact O-CB 3.39Å; T82-E85 PolarHBondContact O-N 3.08Å; T82-E85 WeakPolarHBondContact OG1-CG 3.42Å; T82-E85 PolarHBondContact OG1-OE2 3.33Å; Q83-E85 VanDerWaalsContact C-N 3.34Å; Q83-E85 PolarHBondContact O-N 3.12Å; E85-F88 PolarHBondContact O-N 3.22Å; E85-R89 WeakPolarHBondContact O-CB 3.4Å; E85-R89 WeakPolarHBondContact O-CG 3.46Å; E85-R89 PolarHBondContact O-N 2.89Å
86I96Very high96.4Very high2 Ų289.4 Ų89.41%0.0145%0.445CS..Hα-helixtrans-56.1-54176.7-67.7174.6000109.8E73 M76 E77 T82 Q83 F88 R89 V90E73-I86 HydrophobicContact CB-CG2 4.49Å; E73-I86 HydrophobicContact CG-CG2 3.83Å; M76-I86 HydrophobicContact CB-CD1 4.23Å; M76-I86 HydrophobicContact CB-CG1 3.81Å; M76-I86 HydrophobicContact CE-CB 4.11Å; M76-I86 HydrophobicContact CE-CG1 4.23Å; M76-I86 HydrophobicContact CE-CG2 3.9Å; E77-I86 HydrophobicContact CG-CD1 3.79Å; T82-I86 WeakPolarHBondContact O-CG1 3.32Å; T82-I86 PolarHBondContact O-N 2.98Å; Q83-I86 WeakPolarHBondContact O-CB 3.49Å; Q83-I86 PolarHBondContact O-N 3.2Å; I86-F88 VanDerWaalsContact C-N 3.33Å; I86-F88 PolarHBondContact O-N 2.88Å; I86-R89 PolarHBondContact O-N 3.34Å; I86-V90 HydrophobicContact CG2-CG2 4.18Å; I86-V90 WeakPolarHBondContact O-CB 3.28Å; I86-V90 VanDerWaalsContact O-CG2 3.24Å; I86-V90 WeakPolarHBondContact O-CG2 3.4Å; I86-V90 PolarHBondContact O-N 2.84Å
87E96.9Very high96.3Very high112 Ų11289.3 Ų89.352%0.52344%0.444SS..Hα-helixtrans-59.8-41.6-179.8-72174.1-167.700112.7Q83 S91Q83-E87 WeakPolarHBondContact CG-OE1 3.32Å; Q83-E87 PolarHBondContact NE2-OE1 2.78Å; Q83-E87 VanDerWaalsContact NE2-OE1 3.15Å; Q83-E87 WeakPolarHBondContact O-CG 3.29Å; Q83-E87 PolarHBondContact O-N 2.82Å; E87-S91 WeakPolarHBondContact O-CB 3.22Å; E87-S91 PolarHBondContact O-N 3.13Å; E87-S91 PolarHBondContact O-OG 3.4Å
88F96.9Very high96.3Very high149 Ų14986.7 Ų86.765%0.65443%0.434SS*.Hα-helixtrans-63.6-45.8177.7-178.2-100.4000111.6S84 E85 I86 S91 G92S84-F88 WeakPolarHBondContact O-CB 3.18Å; S84-F88 PolarHBondContact O-N 2.84Å; E85-F88 PolarHBondContact O-N 3.22Å; I86-F88 VanDerWaalsContact C-N 3.33Å; I86-F88 PolarHBondContact O-N 2.88Å; F88-S91 PolarHBondContact O-OG 3.44Å; F88-G92 PolarHBondContact O-N 3.05Å; F88-G92 VanDerWaalsContact O-N 3.13Å
89R96.2Very high96.2Very high167 Ų16783 Ų8363%0.6342%0.419SS*.Hα-helixtrans-67.7-46.9179.4-65.4-69.9-175.7165.83.5111.6M72 M76 E85 I86 G92 F93M72-R89 HydrophobicContact CE-CB 4.48Å; M76-R89 HydrophobicContact CE-CB 3.87Å; M76-R89 HydrophobicContact SD-CB 3.87Å; M76-R89 HydrophobicContact SD-CG 4.17Å; E85-R89 WeakPolarHBondContact O-CB 3.4Å; E85-R89 WeakPolarHBondContact O-CG 3.46Å; E85-R89 PolarHBondContact O-N 2.89Å; I86-R89 PolarHBondContact O-N 3.34Å; R89-G92 PolarHBondContact O-N 3.26Å; R89-F93 WeakPolarHBondContact O-CB 3.45Å; R89-F93 PolarHBondContact O-N 3.4Å
90V97.3Very high96Very high5 Ų582 Ų823%0.0342%0.415CS..Hα-helixtrans-60.8-43.9176.5176.60000111.5C69 M72 E73 M76 I86 G92 F93 R94C69-V90 HydrophobicContact CB-CG1 4.01Å; M72-V90 HydrophobicContact CE-CB 3.93Å; M72-V90 HydrophobicContact CE-CG2 3.48Å; M72-V90 VanDerWaalsContact CE-CG2 3.48Å; E73-V90 HydrophobicContact CB-CG2 3.98Å; M76-V90 HydrophobicContact CE-CG2 3.63Å; I86-V90 HydrophobicContact CG2-CG2 4.18Å; I86-V90 WeakPolarHBondContact O-CB 3.28Å; I86-V90 VanDerWaalsContact O-CG2 3.24Å; I86-V90 WeakPolarHBondContact O-CG2 3.4Å; I86-V90 PolarHBondContact O-N 2.84Å; V90-G92 PolarHBondContact O-N 3.16Å; V90-F93 PolarHBondContact O-N 2.75Å; V90-R94 VanDerWaalsContact O-CB 3.31Å; V90-R94 WeakPolarHBondContact O-CB 3.39Å; V90-R94 PolarHBondContact O-N 2.83Å
91S97.1Very high95.7Very high44 Ų4479.8 Ų79.831%0.30839%0.388SS..Hα-helixtrans-64.6-38.317870.70000112.8E87 F88 K95E87-S91 WeakPolarHBondContact O-CB 3.22Å; E87-S91 PolarHBondContact O-N 3.13Å; E87-S91 PolarHBondContact O-OG 3.4Å; F88-S91 PolarHBondContact O-OG 3.44Å; S91-K95 WeakPolarHBondContact O-CG 3.48Å; S91-K95 PolarHBondContact O-N 3.05Å; S91-K95 VanDerWaalsContact O-N 3.15Å
92G97Very high95.4Very high39 Ų3979.8 Ų79.840%0.40239%0.39SS..Hα-helixtrans-65-44.5173.500000112.4F88 R89 V90 K95 K96F88-G92 PolarHBondContact O-N 3.05Å; F88-G92 VanDerWaalsContact O-N 3.13Å; R89-G92 PolarHBondContact O-N 3.26Å; V90-G92 PolarHBondContact O-N 3.16Å; G92-K95 PolarHBondContact O-N 3.41Å; G92-K96 PolarHBondContact O-N 3.16Å
93F96.9Very high95.1Very high62 Ų6278 Ų7827%0.27238%0.384SS..Hα-helixtrans-64.5-44.3177.7-174.4-117.8000112.4K68 M72 R89 V90 K95 K96 L97K68-F93 HydrophobicContact CB-CE1 4.05Å; M72-F93 HydrophobicContact CE-CB 3.55Å; M72-F93 HydrophobicContact CE-CD1 3.9Å; M72-F93 HydrophobicContact CE-CG 3.92Å; M72-F93 HydrophobicContact SD-CB 3.9Å; M72-F93 HydrophobicContact SD-CD1 3.77Å; M72-F93 HydrophobicContact SD-CD2 4.24Å; M72-F93 HydrophobicContact SD-CE1 4.29Å; M72-F93 HydrophobicContact SD-CG 3.73Å; R89-F93 WeakPolarHBondContact O-CB 3.45Å; R89-F93 PolarHBondContact O-N 3.4Å; V90-F93 PolarHBondContact O-N 2.75Å; F93-K95 VanDerWaalsContact C-N 3.35Å; F93-K95 PolarHBondContact O-N 2.9Å; F93-K96 WeakPolarHBondContact O-CB 3.42Å; F93-K96 PolarHBondContact O-N 3.33Å; F93-L97 HydrophobicContact CD1-CD1 3.93Å; F93-L97 HydrophobicContact CE1-CD1 3.44Å; F93-L97 VanDerWaalsContact CE1-CD1 3.44Å; F93-L97 HydrophobicContact CE1-CG 4.25Å; F93-L97 HydrophobicContact CE2-CD1 4.24Å; F93-L97 HydrophobicContact CE2-CD2 4.38Å; F93-L97 HydrophobicContact CE2-CG 4.22Å; F93-L97 HydrophobicContact CZ-CD1 3.62Å; F93-L97 HydrophobicContact CZ-CD2 4.31Å; F93-L97 HydrophobicContact CZ-CG 4.09Å; F93-L97 PolarHBondContact O-N 3.34Å
94R97.2Very high94.4Very high85 Ų8575.8 Ų75.832%0.32138%0.378SS..Hα-helixtrans-55.5-48.4174.5-176-176.2-75.2121.61.5111.4E66 V90 L97 L98E66-R94 IonicContact OE1-NE 2.96Å; E66-R94 PolarHBondContact OE1-NE 3.35Å; E66-R94 IonicContact OE2-CZ 3.12Å; E66-R94 IonicContact OE2-NE 2.87Å; E66-R94 PolarHBondContact OE2-NE 3.24Å; E66-R94 IonicContact OE2-NH2 3.95Å; E66-R94 PolarHBondContact OE2-NH2 2.98Å; V90-R94 VanDerWaalsContact O-CB 3.31Å; V90-R94 WeakPolarHBondContact O-CB 3.39Å; V90-R94 PolarHBondContact O-N 2.83Å; R94-L97 PolarHBondContact O-N 2.91Å; R94-L98 HydrophobicContact CG-CD1 4Å; R94-L98 WeakPolarHBondContact O-CB 3.4Å; R94-L98 VanDerWaalsContact O-CG 3.31Å; R94-L98 WeakPolarHBondContact O-CG 3.36Å; R94-L98 PolarHBondContact O-N 3.41Å
95K97.2Very high93.6Very high138 Ų13874.4 Ų74.460%0.636%0.361SS*.Hα-helixtrans-59.8-47.5177.4-74.3175.5-177.3177.20111.6S91 G92 F93 L97 L98 D99S91-K95 WeakPolarHBondContact O-CG 3.48Å; S91-K95 PolarHBondContact O-N 3.05Å; S91-K95 VanDerWaalsContact O-N 3.15Å; G92-K95 PolarHBondContact O-N 3.41Å; F93-K95 VanDerWaalsContact C-N 3.35Å; F93-K95 PolarHBondContact O-N 2.9Å; K95-L97 PolarHBondContact O-N 3.23Å; K95-L98 PolarHBondContact O-N 2.97Å; K95-D99 WeakPolarHBondContact O-CB 3.35Å; K95-D99 VanDerWaalsContact O-CG 3.31Å; K95-D99 PolarHBondContact O-N 3.28Å
96K96.7Very high92.6Very high122 Ų12276.8 Ų76.853%0.5338%0.376SS..Hα-helixtrans-56.2-49.8177.8-176.4-175.5175-172.50111.9G92 F93 L98 D99 E100G92-K96 PolarHBondContact O-N 3.16Å; F93-K96 WeakPolarHBondContact O-CB 3.42Å; F93-K96 PolarHBondContact O-N 3.33Å; K96-L98 PolarHBondContact O-N 2.86Å; K96-D99 PolarHBondContact O-N 3.1Å; K96-E100 WeakPolarHBondContact CE-OE1 3.06Å; K96-E100 WeakPolarHBondContact O-CG 3.44Å; K96-E100 PolarHBondContact O-N 3.19Å
97L95Very high91.2Very high17 Ų1784.8 Ų84.89%0.08941%0.411CS..Hα-helixtrans-65.7-37.9179.8-70.7-177.9000112.7I65 K68 F93 R94 K95 D99 E100 L101I65-L97 HydrophobicContact CB-CB 4.49Å; I65-L97 HydrophobicContact CD1-CB 4.25Å; I65-L97 HydrophobicContact CG1-CB 4.12Å; I65-L97 HydrophobicContact CG2-CB 3.71Å; I65-L97 HydrophobicContact CG2-CD1 3.94Å; K68-L97 HydrophobicContact CB-CD1 4.03Å; K68-L97 HydrophobicContact CD-CD1 3.99Å; F93-L97 HydrophobicContact CD1-CD1 3.93Å; F93-L97 HydrophobicContact CE1-CD1 3.44Å; F93-L97 VanDerWaalsContact CE1-CD1 3.44Å; F93-L97 HydrophobicContact CE1-CG 4.25Å; F93-L97 HydrophobicContact CE2-CD1 4.24Å; F93-L97 HydrophobicContact CE2-CD2 4.38Å; F93-L97 HydrophobicContact CE2-CG 4.22Å; F93-L97 HydrophobicContact CZ-CD1 3.62Å; F93-L97 HydrophobicContact CZ-CD2 4.31Å; F93-L97 HydrophobicContact CZ-CG 4.09Å; F93-L97 PolarHBondContact O-N 3.34Å; R94-L97 PolarHBondContact O-N 2.91Å; K95-L97 PolarHBondContact O-N 3.23Å; L97-D99 VanDerWaalsContact C-N 3.35Å; L97-E100 PolarHBondContact O-N 3.47Å; L97-L101 WeakPolarHBondContact O-CB 3.4Å; L97-L101 PolarHBondContact O-N 3.49Å
98L94.8Very high89.2Confident49 Ų4984.9 Ų84.926%0.25741%0.409SS..Hα-helixtrans-66.1-37.3175.4-74.6172.4000112.2I65 R94 K95 K96 L101 K102I65-L98 HydrophobicContact CD1-CD2 3.8Å; I65-L98 HydrophobicContact CD1-CG 4.35Å; I65-L98 HydrophobicContact CG2-CG 4.49Å; R94-L98 HydrophobicContact CG-CD1 4Å; R94-L98 WeakPolarHBondContact O-CB 3.4Å; R94-L98 VanDerWaalsContact O-CG 3.31Å; R94-L98 WeakPolarHBondContact O-CG 3.36Å; R94-L98 PolarHBondContact O-N 3.41Å; K95-L98 PolarHBondContact O-N 2.97Å; K96-L98 PolarHBondContact O-N 2.86Å; L98-L101 PolarHBondContact O-N 2.96Å; L98-K102 WeakPolarHBondContact O-CG 3.43Å; L98-K102 PolarHBondContact O-N 3.3Å
99D94.7Very high86.8Confident91 Ų9182.6 Ų82.649%0.48741%0.408SS..Hα-helixtrans-72.5-36.8177.5-68.8-21.3000111.6K95 K96 L97 L101 K102 A103K95-D99 WeakPolarHBondContact O-CB 3.35Å; K95-D99 VanDerWaalsContact O-CG 3.31Å; K95-D99 PolarHBondContact O-N 3.28Å; K96-D99 PolarHBondContact O-N 3.1Å; L97-D99 VanDerWaalsContact C-N 3.35Å; D99-L101 VanDerWaalsContact C-N 3.34Å; D99-K102 PolarHBondContact O-N 3.35Å; D99-K102 IonicContact OD1-NZ 3.4Å; D99-A103 VanDerWaalsContact O-CB 3.29Å; D99-A103 WeakPolarHBondContact O-CB 3.45Å; D99-A103 PolarHBondContact O-N 3.11Å
100E91.9Very high84.5Confident102 Ų10281.1 Ų81.148%0.47742%0.42SS..Hα-helixtrans-59.8-43.5169-74.4174-16700111.5K96 L97 A103 S104K96-E100 WeakPolarHBondContact CE-OE1 3.06Å; K96-E100 WeakPolarHBondContact O-CG 3.44Å; K96-E100 PolarHBondContact O-N 3.19Å; L97-E100 PolarHBondContact O-N 3.47Å; E100-A103 PolarHBondContact O-N 3.45Å; E100-S104 WeakPolarHBondContact O-CB 3.29Å; E100-S104 PolarHBondContact O-N 3.32Å
101L89.1Confident81.8Confident18 Ų1885 Ų859%0.09444%0.44CS..Hα-helixtrans-60.9-50.5175.4-178.4151.4000110.9R61 I65 L97 L98 D99 A103 S104 E105R61-L101 HydrophobicContact CB-CD1 3.56Å; I65-L101 HydrophobicContact CD1-CB 3.98Å; I65-L101 HydrophobicContact CD1-CD1 3.55Å; I65-L101 HydrophobicContact CD1-CG 4.41Å; L97-L101 WeakPolarHBondContact O-CB 3.4Å; L97-L101 PolarHBondContact O-N 3.49Å; L98-L101 PolarHBondContact O-N 2.96Å; D99-L101 VanDerWaalsContact C-N 3.34Å; L101-A103 VanDerWaalsContact C-N 3.33Å; L101-A103 PolarHBondContact O-N 3.28Å; L101-S104 WeakPolarHBondContact O-CB 3.46Å; L101-S104 PolarHBondContact O-N 2.99Å; L101-S104 VanDerWaalsContact O-N 3.14Å; L101-S104 PolarHBondContact O-OG 3.47Å; L101-E105 HydrophobicContact CD2-CG 4.38Å; L101-E105 WeakPolarHBondContact O-CG 3.3Å; L101-E105 PolarHBondContact O-N 3.09Å; L101-E105 VanDerWaalsContact O-N 3.09Å
102K89.8Confident79.6Confident114 Ų11487.3 Ų87.350%0.49645%0.452SS..Hα-helixtrans-60.1-41.7177.3-70.5170.1-169.8163.10112.2L98 D99 S104 E105 I106L98-K102 WeakPolarHBondContact O-CG 3.43Å; L98-K102 PolarHBondContact O-N 3.3Å; D99-K102 PolarHBondContact O-N 3.35Å; D99-K102 IonicContact OD1-NZ 3.4Å; K102-S104 VanDerWaalsContact C-N 3.3Å; K102-S104 PolarHBondContact O-N 3.46Å; K102-E105 PolarHBondContact O-N 2.89Å; K102-E105 VanDerWaalsContact O-N 3.16Å; K102-I106 WeakPolarHBondContact O-CG1 3.31Å; K102-I106 PolarHBondContact O-N 3.05Å
103A88.9Confident77.2Confident43 Ų4392.7 Ų92.736%0.35547%0.467SS..Hα-helixtrans-63.3-36.6177.200000112D99 E100 L101 E105 K107D99-A103 VanDerWaalsContact O-CB 3.29Å; D99-A103 WeakPolarHBondContact O-CB 3.45Å; D99-A103 PolarHBondContact O-N 3.11Å; E100-A103 PolarHBondContact O-N 3.45Å; L101-A103 VanDerWaalsContact C-N 3.33Å; L101-A103 PolarHBondContact O-N 3.28Å; A103-E105 VanDerWaalsContact C-N 3.32Å; A103-K107 WeakPolarHBondContact O-CG 3.46Å; A103-K107 PolarHBondContact O-N 2.91Å
104S82.1Confident75.1Confident46 Ų4691.2 Ų91.232%0.32246%0.464SS..Hα-helixtrans-66.6-33.3174.581.80000112.4E100 L101 K102E100-S104 WeakPolarHBondContact O-CB 3.29Å; E100-S104 PolarHBondContact O-N 3.32Å; L101-S104 WeakPolarHBondContact O-CB 3.46Å; L101-S104 PolarHBondContact O-N 2.99Å; L101-S104 VanDerWaalsContact O-N 3.14Å; L101-S104 PolarHBondContact O-OG 3.47Å; K102-S104 VanDerWaalsContact C-N 3.3Å; K102-S104 PolarHBondContact O-N 3.46Å
105E77.3Confident72.8Confident62 Ų6295.4 Ų95.429%0.2949%0.485SS..Hα-helixtrans-71.7-33.9179.2-66.7-175153.600112.7R61 L101 K102 A103 K108R61-E105 IonicContact NH1-OE1 3.52Å; R61-E105 PolarHBondContact NH1-OE1 3.49Å; R61-E105 VanDerWaalsContact NH1-OE1 3.12Å; L101-E105 HydrophobicContact CD2-CG 4.38Å; L101-E105 WeakPolarHBondContact O-CG 3.3Å; L101-E105 PolarHBondContact O-N 3.09Å; L101-E105 VanDerWaalsContact O-N 3.09Å; K102-E105 PolarHBondContact O-N 2.89Å; K102-E105 VanDerWaalsContact O-N 3.16Å; A103-E105 VanDerWaalsContact C-N 3.32Å; E105-K108 WeakPolarHBondContact O-CD 3.12Å; E105-K108 WeakPolarHBondContact O-CG 3.26Å
106I75.4Confident70.8Confident145 Ų14592 Ų9274%0.74447%0.471SS*.Hα-helixtrans-72.4-34.4177.8-63.6161000111.5K102 K108K102-I106 WeakPolarHBondContact O-CG1 3.31Å; K102-I106 PolarHBondContact O-N 3.05Å; I106-K108 PolarHBondContact O-N 3.26Å
107K66.6Low68.9Low171 Ų17187.3 Ų87.374%0.74345%0.451SS*.THydrogen-bonded Turntrans-75.52.3-179.1-71178.8-177.7178.90114.3A103 T109A103-K107 WeakPolarHBondContact O-CG 3.46Å; A103-K107 PolarHBondContact O-N 2.91Å; K107-T109 VanDerWaalsContact C-N 3.33Å; K107-T109 PolarHBondContact O-N 3.05Å
108K56.2Low67Low114 Ų11489.1 Ų89.150%0.49647%0.465SS..  trans-66.190.3178.3-70.2174.6-178.3162.30110.4E105 I106E105-K108 WeakPolarHBondContact O-CD 3.12Å; E105-K108 WeakPolarHBondContact O-CG 3.26Å; I106-K108 PolarHBondContact O-N 3.26Å
109T45.7Very low65.2Low101 Ų10192.8 Ų92.862%0.6248%0.481SS*.  trans-57.2149.8144.852.30000107.7K107 N111K107-T109 VanDerWaalsContact C-N 3.33Å; K107-T109 PolarHBondContact O-N 3.05Å; T109-N111 PolarHBondContact O-N 3.14Å
110P47.9Very low63.4Low136 Ų13689.9 Ų89.988%0.88347%0.468SS*.SBendtrans-6710.1-169.927-35.4000114.9
111N41.3Very low61.9Low85 Ų8594.1 Ų94.146%0.45549%0.488SS..SBendtrans-104.1107.3170.7-118.4-22.4000109.4T109 E113T109-N111 PolarHBondContact O-N 3.14Å; N111-E113 PolarHBondContact O-N 3.23Å
112V49.2Very low60.5Low94 Ų94100.1 Ų100.157%0.5752%0.515SS*.  trans-6896-171.1173.50000109.3L139V112-L139 HydrophobicContact CB-CD1 4.41Å; V112-L139 HydrophobicContact CB-CD2 3.52Å; V112-L139 HydrophobicContact CB-CG 4.27Å; V112-L139 HydrophobicContact CG1-CD1 3.81Å; V112-L139 HydrophobicContact CG1-CD2 3.89Å; V112-L139 HydrophobicContact CG1-CG 4.11Å; V112-L139 HydrophobicContact CG2-CD2 4.47Å; V112-L139 WeakPolarHBondContact O-CD2 3.44Å
113E47.5Very low59.5Low152 Ų15297.1 Ų97.171%0.7152%0.517SS*.  trans-59127.1165.9-78.7-72.8158.500109.1N111 F115N111-E113 PolarHBondContact O-N 3.23Å; E113-F115 PolarHBondContact O-N 3.22Å
114P51.9Low58.6Low31 Ų31101.9 Ų101.920%0.20153%0.529CS..  trans-79.567179.233.6-33.2000109.3E116 I117 L125P114-E116 VanDerWaalsContact C-N 3.29Å; P114-E116 PolarHBondContact O-N 3.26Å; P114-I117 HydrophobicContact CB-CD1 4.09Å; P114-L125 HydrophobicContact CB-CD1 3.71Å; P114-L125 HydrophobicContact CB-CD2 3.5Å; P114-L125 HydrophobicContact CB-CG 4.26Å; P114-L125 HydrophobicContact CG-CD1 4.23Å; P114-L125 HydrophobicContact CG-CD2 3.82Å
115F50Low58.1Low173 Ų173101.5 Ų101.576%0.75952%0.523SS*.  trans-80-6.1-169.7-154.5-100000114.2E113E113-F115 PolarHBondContact O-N 3.22Å
116E54.9Low58.1Low66 Ų66102.9 Ų102.931%0.30853%0.532SS..SBendtrans-140.26-176.8-66.1-172.5-166.500116.3R61 K64 P114R61-E116 VanDerWaalsContact CG-OE2 3.22Å; R61-E116 WeakPolarHBondContact CG-OE2 3.43Å; R61-E116 IonicContact NE-OE2 3.93Å; K64-E116 PolarHBondContact NZ-O 3.44Å; P114-E116 VanDerWaalsContact C-N 3.29Å; P114-E116 PolarHBondContact O-N 3.26Å
117I56.1Low58.3Low23 Ų2397.5 Ų97.512%0.11851%0.507CS..SBendtrans-85119.3169-58141.8000105.1P114 Q119 L125 L126 P127 V136P114-I117 HydrophobicContact CB-CD1 4.09Å; I117-Q119 PolarHBondContact O-N 3.34Å; I117-L125 HydrophobicContact CB-CB 4.37Å; I117-L125 HydrophobicContact CB-CD2 4.32Å; I117-L125 HydrophobicContact CD1-CD1 4.18Å; I117-L125 HydrophobicContact CG2-CB 3.8Å; I117-L126 VanDerWaalsContact CG2-C 3.44Å; I117-P127 HydrophobicContact CG2-CB 4.49Å; I117-V136 HydrophobicContact CD1-CG2 3.43Å; I117-V136 VanDerWaalsContact CD1-CG2 3.43Å; I117-V136 HydrophobicContact CG1-CG2 4.12Å; I117-V136 HydrophobicContact CG2-CG2 4.33Å
118S55.1Low59.1Low56 Ų5697.4 Ų97.439%0.39251%0.506SS..  trans-48.5110.5-178470000109.2S120 L126S118-S120 PolarHBondContact O-N 2.93Å; S118-L126 PolarHBondContact O-N 3.09Å; S118-L126 PolarHBondContact OG-O 2.78Å
119Q58.1Low60.5Low125 Ų12593.4 Ų93.458%0.58450%0.497SS*.BIsolated β-bridgetrans-72.7120.1174-62-177.110.300105.2I117 L125I117-Q119 PolarHBondContact O-N 3.34Å; Q119-L125 HydrophobicContact CG-CD2 4.35Å
120S55.8Low62.6Low31 Ų3193.5 Ų93.522%0.21750%0.498CS..  trans-59.1162.2162.238.60000109.5S118 H122 G123 K124 L126S118-S120 PolarHBondContact O-N 2.93Å; S120-H122 PolarHBondContact O-N 3.47Å; S120-G123 PolarHBondContact O-N 3.34Å; S120-K124 PolarHBondContact N-O 2.88Å; S120-K124 VanDerWaalsContact N-O 3.09Å; S120-K124 WeakPolarHBondContact OG-CB 2.78Å; S120-K124 PolarHBondContact OG-N 2.88Å; S120-K124 PolarHBondContact OG-O 3.41Å; S120-L126 VanDerWaalsContact CB-CD1 3.48Å
121E60.2Low64.5Low191 Ų19188.8 Ų88.889%0.89346%0.464SS*.THydrogen-bonded Turntrans-47.4-20.5169.3-60.6179.7165.700113.4
122H60.1Low66.7Low144 Ų14485.6 Ų85.667%0.66745%0.447SS*.THydrogen-bonded Turntrans-99.214.2179.6-54.6-43.4000114.5S120 K124S120-H122 PolarHBondContact O-N 3.47Å; H122-K124 HydrophobicContact CB-CG 4.43Å; H122-K124 PolarHBondContact O-N 2.83Å; H122-K124 VanDerWaalsContact O-N 3.11Å
123G69.6Low68.5Low51 Ų5184.2 Ų84.253%0.52644%0.436SS..SBendtrans66.510.7-179.400000114.2S120S120-G123 PolarHBondContact O-N 3.34Å
124K69.2Low70.4Confident143 Ų14377.6 Ų77.662%0.62241%0.408SS*.  trans-82.6127.2176.3-57.7174.3-178.5174.60108.8S120 H122 L126S120-K124 PolarHBondContact N-O 2.88Å; S120-K124 VanDerWaalsContact N-O 3.09Å; S120-K124 WeakPolarHBondContact OG-CB 2.78Å; S120-K124 PolarHBondContact OG-N 2.88Å; S120-K124 PolarHBondContact OG-O 3.41Å; H122-K124 HydrophobicContact CB-CG 4.43Å; H122-K124 PolarHBondContact O-N 2.83Å; H122-K124 VanDerWaalsContact O-N 3.11Å; K124-L126 PolarHBondContact O-N 2.84Å
125L71.5Confident72.1Confident37 Ų3777.2 Ų77.219%0.19441%0.407CS..BIsolated β-bridgetrans-64114.3171.3-54.8-177000108.5P114 I117 Q119 P127 V136P114-L125 HydrophobicContact CB-CD1 3.71Å; P114-L125 HydrophobicContact CB-CD2 3.5Å; P114-L125 HydrophobicContact CB-CG 4.26Å; P114-L125 HydrophobicContact CG-CD1 4.23Å; P114-L125 HydrophobicContact CG-CD2 3.82Å; I117-L125 HydrophobicContact CB-CB 4.37Å; I117-L125 HydrophobicContact CB-CD2 4.32Å; I117-L125 HydrophobicContact CD1-CD1 4.18Å; I117-L125 HydrophobicContact CG2-CB 3.8Å; Q119-L125 HydrophobicContact CG-CD2 4.35Å; L125-P127 WeakPolarHBondContact O-CD 3.34Å; L125-V136 HydrophobicContact CB-CG1 4.2Å; L125-V136 HydrophobicContact CB-CG2 4.1Å; L125-V136 HydrophobicContact CD1-CG1 4.32Å; L125-V136 HydrophobicContact CD1-CG2 4.2Å
126L78.1Confident73.9Confident91 Ų9169 Ų6948%0.47637%0.37SS..  trans-103.384.9175-74.7158.4000110.1I117 S118 S120 K124I117-L126 VanDerWaalsContact CG2-C 3.44Å; S118-L126 PolarHBondContact O-N 3.09Å; S118-L126 PolarHBondContact OG-O 2.78Å; S120-L126 VanDerWaalsContact CB-CD1 3.48Å; K124-L126 PolarHBondContact O-N 2.84Å
127P80.1Confident75.5Confident33 Ų3368.2 Ų68.221%0.21437%0.369CS..  trans-64.2137.8172.126.6-36.1000111.3I117 L125 E132 N133 V136I117-P127 HydrophobicContact CG2-CB 4.49Å; L125-P127 WeakPolarHBondContact O-CD 3.34Å; P127-E132 HydrophobicContact CB-CB 3.65Å; P127-N133 WeakPolarHBondContact CB-OD1 3Å; P127-N133 WeakPolarHBondContact CG-OD1 3.47Å; P127-V136 HydrophobicContact CB-CG2 4.17Å; P127-V136 HydrophobicContact CG-CB 4.48Å; P127-V136 HydrophobicContact CG-CG2 4.18Å
128K83.4Confident76.9Confident168 Ų16870.6 Ų70.673%0.7338%0.381SS*.  trans-94-30.9177.5-63.3-176.5179.2-178.10111.8E132K128-E132 WeakPolarHBondContact CA-OE2 3.31Å; K128-E132 PolarHBondContact N-OE2 3.31Å
129G85.5Confident78.4Confident30 Ų3068.7 Ų68.731%0.30937%0.366SS..SBendtrans-114.7164-176.100000115.3H131 E132 N133G129-H131 PolarHBondContact O-N 3.48Å; G129-E132 PolarHBondContact N-OE2 2.8Å; G129-E132 VanDerWaalsContact N-OE2 3.16Å; G129-E132 PolarHBondContact O-N 3.13Å; G129-N133 VanDerWaalsContact O-CG 3.3Å; G129-N133 PolarHBondContact O-N 3.39Å
130T88.1Confident79.8Confident104 Ų10468.1 Ų68.164%0.63836%0.362SS*.Hα-helixtrans-61.8-38.9179-48.40000113.2N133 A134T130-N133 WeakPolarHBondContact O-CB 3.27Å; T130-N133 PolarHBondContact O-N 3.41Å; T130-A134 PolarHBondContact O-N 3.23Å
131H88.7Confident81.3Confident37 Ų3770.3 Ų70.317%0.17137%0.371CS..Hα-helixtrans-76.4-30.3178-68.4-70.5000112.5N53 I56 L57 G129 A134 A135N53-H131 PolarHBondContact N-ND1 2.87Å; I56-H131 VanDerWaalsContact CD1-CD2 3.4Å; I56-H131 WeakPolarHBondContact CD1-CD2 3.31Å; I56-H131 VanDerWaalsContact CD1-NE2 3.28Å; I56-H131 WeakPolarHBondContact CD1-NE2 3.44Å; I56-H131 HydrophobicContact CG2-CB 4.32Å; L57-H131 HydrophobicContact CD2-CB 4.18Å; L57-H131 HydrophobicContact CG-CB 4.4Å; G129-H131 PolarHBondContact O-N 3.48Å; H131-A134 PolarHBondContact O-N 3.47Å; H131-A135 PolarHBondContact O-N 3Å
132E87.3Confident82.6Confident18 Ų1863.6 Ų63.68%0.08434%0.343CS..Hα-helixtrans-65.5-42.5169.5-62.3-175149.700110.5L57 K64 P127 K128 G129 A134 A135 V136L57-E132 HydrophobicContact CD2-CB 4.49Å; L57-E132 HydrophobicContact CD2-CG 3.82Å; K64-E132 IonicContact NZ-OE1 2.99Å; P127-E132 HydrophobicContact CB-CB 3.65Å; K128-E132 WeakPolarHBondContact CA-OE2 3.31Å; K128-E132 PolarHBondContact N-OE2 3.31Å; G129-E132 PolarHBondContact N-OE2 2.8Å; G129-E132 VanDerWaalsContact N-OE2 3.16Å; G129-E132 PolarHBondContact O-N 3.13Å; E132-A134 VanDerWaalsContact C-N 3.31Å; E132-A134 PolarHBondContact O-N 3.15Å; E132-A135 PolarHBondContact O-N 3.22Å; E132-V136 WeakPolarHBondContact O-CB 3.47Å; E132-V136 VanDerWaalsContact O-CG2 3.29Å; E132-V136 WeakPolarHBondContact O-CG2 3.44Å; E132-V136 PolarHBondContact O-N 2.86Å
133N87.6Confident84Confident65 Ų6561.7 Ų61.735%0.34834%0.337SS..Hα-helixtrans-55.8-46.7172.6-70.4-23.3000111.2P127 G129 T130 V136 N137P127-N133 WeakPolarHBondContact CB-OD1 3Å; P127-N133 WeakPolarHBondContact CG-OD1 3.47Å; G129-N133 VanDerWaalsContact O-CG 3.3Å; G129-N133 PolarHBondContact O-N 3.39Å; T130-N133 WeakPolarHBondContact O-CB 3.27Å; T130-N133 PolarHBondContact O-N 3.41Å; N133-V136 PolarHBondContact O-N 3.14Å; N133-N137 WeakPolarHBondContact O-CB 3.1Å; N133-N137 PolarHBondContact O-N 3.38Å; N133-N137 PolarHBondContact O-ND2 3.04Å
134A87.8Confident84.9Confident13 Ų1365.4 Ų65.411%0.10734%0.339CS..Hα-helixtrans-61.5-46.1178.600000111.9K50 P52 T130 H131 E132 V136 N137 I138K50-A134 WeakPolarHBondContact O-CB 3.4Å; P52-A134 HydrophobicContact CB-CB 4.12Å; T130-A134 PolarHBondContact O-N 3.23Å; H131-A134 PolarHBondContact O-N 3.47Å; E132-A134 VanDerWaalsContact C-N 3.31Å; E132-A134 PolarHBondContact O-N 3.15Å; A134-V136 PolarHBondContact O-N 3.23Å; A134-N137 PolarHBondContact O-N 3.36Å; A134-I138 WeakPolarHBondContact O-CG1 3.14Å; A134-I138 PolarHBondContact O-N 3.33Å
135A87.2Confident85.9Confident22 Ų2262 Ų6218%0.18232%0.324CS..Hα-helixtrans-61.6-43.1176.100000112.2P52 L57 H131 E132 N137 I138 L139P52-A135 HydrophobicContact CB-CB 4.14Å; P52-A135 HydrophobicContact CG-CB 4.27Å; L57-A135 HydrophobicContact CD1-CB 4.12Å; H131-A135 PolarHBondContact O-N 3Å; E132-A135 PolarHBondContact O-N 3.22Å; A135-N137 VanDerWaalsContact C-N 3.34Å; A135-N137 PolarHBondContact O-N 3.16Å; A135-I138 PolarHBondContact O-N 2.72Å; A135-L139 WeakPolarHBondContact O-CB 3.35Å; A135-L139 WeakPolarHBondContact O-CG 3.27Å; A135-L139 PolarHBondContact O-N 2.9Å
136V87Confident86.7Confident0 Ų065.9 Ų65.90%034%0.341CS..Hα-helixtrans-62.8-39.7174.7169.40000111.8I117 L125 P127 E132 N133 A134 L139 K140I117-V136 HydrophobicContact CD1-CG2 3.43Å; I117-V136 VanDerWaalsContact CD1-CG2 3.43Å; I117-V136 HydrophobicContact CG1-CG2 4.12Å; I117-V136 HydrophobicContact CG2-CG2 4.33Å; L125-V136 HydrophobicContact CB-CG1 4.2Å; L125-V136 HydrophobicContact CB-CG2 4.1Å; L125-V136 HydrophobicContact CD1-CG1 4.32Å; L125-V136 HydrophobicContact CD1-CG2 4.2Å; P127-V136 HydrophobicContact CB-CG2 4.17Å; P127-V136 HydrophobicContact CG-CB 4.48Å; P127-V136 HydrophobicContact CG-CG2 4.18Å; E132-V136 WeakPolarHBondContact O-CB 3.47Å; E132-V136 VanDerWaalsContact O-CG2 3.29Å; E132-V136 WeakPolarHBondContact O-CG2 3.44Å; E132-V136 PolarHBondContact O-N 2.86Å; N133-V136 PolarHBondContact O-N 3.14Å; A134-V136 PolarHBondContact O-N 3.23Å; V136-L139 WeakPolarHBondContact O-CB 3.49Å; V136-L139 PolarHBondContact O-N 3.36Å; V136-K140 HydrophobicContact CG1-CD 3.97Å; V136-K140 VanDerWaalsContact CG1-CE 3.41Å; V136-K140 HydrophobicContact CG1-CG 4.43Å; V136-K140 WeakPolarHBondContact O-CB 3.42Å; V136-K140 VanDerWaalsContact O-CG 3.27Å; V136-K140 WeakPolarHBondContact O-CG 3.33Å; V136-K140 PolarHBondContact O-N 3.39Å
137N88Confident87.3Confident50 Ų5065.5 Ų65.527%0.26735%0.351SS..Hα-helixtrans-68.5-42.3178.4-73.4-15.3000111.4N133 A134 A135 L139 K140 N141N133-N137 WeakPolarHBondContact O-CB 3.1Å; N133-N137 PolarHBondContact O-N 3.38Å; N133-N137 PolarHBondContact O-ND2 3.04Å; A134-N137 PolarHBondContact O-N 3.36Å; A135-N137 VanDerWaalsContact C-N 3.34Å; A135-N137 PolarHBondContact O-N 3.16Å; N137-L139 VanDerWaalsContact C-N 3.32Å; N137-L139 PolarHBondContact O-N 3.19Å; N137-K140 PolarHBondContact O-N 3.33Å; N137-N141 VanDerWaalsContact O-CB 3.31Å; N137-N141 WeakPolarHBondContact O-CB 3.45Å; N137-N141 PolarHBondContact O-N 3.09Å; N137-N141 PolarHBondContact O-ND2 2.67Å
138I86.8Confident87.9Confident73 Ų7368.9 Ų68.937%0.37437%0.367SS..Hα-helixtrans-58.5-47.3172.8-69.4176.6000109.8P52 A134 A135 K140 N141 T142P52-I138 HydrophobicContact CG-CD1 3.98Å; A134-I138 WeakPolarHBondContact O-CG1 3.14Å; A134-I138 PolarHBondContact O-N 3.33Å; A135-I138 PolarHBondContact O-N 2.72Å; I138-K140 PolarHBondContact O-N 2.91Å; I138-N141 CarbonylContact O-C 3.6Å; I138-N141 WeakPolarHBondContact O-CB 3.07Å; I138-N141 PolarHBondContact O-N 2.83Å; I138-N141 VanDerWaalsContact O-N 3.13Å; I138-T142 HydrophobicContact CG2-CG2 4.19Å; I138-T142 WeakPolarHBondContact O-CG2 3.48Å; I138-T142 PolarHBondContact O-N 3.09Å; I138-T142 PolarHBondContact O-OG1 3.44Å
139L86.7Confident88Confident17 Ų1763.2 Ų63.29%0.08936%0.356CS..Hα-helixtrans-57.7-47.6176.1-84175.8000113.9V112 A135 V136 N137 N141 T142 I143V112-L139 HydrophobicContact CB-CD1 4.41Å; V112-L139 HydrophobicContact CB-CD2 3.52Å; V112-L139 HydrophobicContact CB-CG 4.27Å; V112-L139 HydrophobicContact CG1-CD1 3.81Å; V112-L139 HydrophobicContact CG1-CD2 3.89Å; V112-L139 HydrophobicContact CG1-CG 4.11Å; V112-L139 HydrophobicContact CG2-CD2 4.47Å; V112-L139 WeakPolarHBondContact O-CD2 3.44Å; A135-L139 WeakPolarHBondContact O-CB 3.35Å; A135-L139 WeakPolarHBondContact O-CG 3.27Å; A135-L139 PolarHBondContact O-N 2.9Å; V136-L139 WeakPolarHBondContact O-CB 3.49Å; V136-L139 PolarHBondContact O-N 3.36Å; N137-L139 VanDerWaalsContact C-N 3.32Å; N137-L139 PolarHBondContact O-N 3.19Å; L139-N141 PolarHBondContact O-N 3.13Å; L139-T142 WeakPolarHBondContact CA-OG1 3.42Å; L139-T142 PolarHBondContact O-N 3.3Å; L139-T142 PolarHBondContact O-OG1 3.16Å; L139-I143 WeakPolarHBondContact O-CB 3.43Å; L139-I143 VanDerWaalsContact O-CG1 3.27Å; L139-I143 WeakPolarHBondContact O-CG1 3.36Å; L139-I143 PolarHBondContact O-N 3.33Å
140K87.2Confident88Confident112 Ų11264.2 Ų64.249%0.48735%0.354SS..Hα-helixtrans-60-41.4175.8-74.3170-179169.60110.6V136 N137 I138 F144V136-K140 HydrophobicContact CG1-CD 3.97Å; V136-K140 VanDerWaalsContact CG1-CE 3.41Å; V136-K140 HydrophobicContact CG1-CG 4.43Å; V136-K140 WeakPolarHBondContact O-CB 3.42Å; V136-K140 VanDerWaalsContact O-CG 3.27Å; V136-K140 WeakPolarHBondContact O-CG 3.33Å; V136-K140 PolarHBondContact O-N 3.39Å; N137-K140 PolarHBondContact O-N 3.33Å; I138-K140 PolarHBondContact O-N 2.91Å; K140-F144 WeakPolarHBondContact O-CB 3.27Å; K140-F144 PolarHBondContact O-N 3.24Å
141N87.3Confident87.8Confident78 Ų7861.4 Ų61.442%0.41735%0.346SS..Hα-helixtrans-68.8-38.4178.5-70.4-16.2000112.2N137 I138 L139 F144 K145N137-N141 VanDerWaalsContact O-CB 3.31Å; N137-N141 WeakPolarHBondContact O-CB 3.45Å; N137-N141 PolarHBondContact O-N 3.09Å; N137-N141 PolarHBondContact O-ND2 2.67Å; I138-N141 CarbonylContact O-C 3.6Å; I138-N141 WeakPolarHBondContact O-CB 3.07Å; I138-N141 PolarHBondContact O-N 2.83Å; I138-N141 VanDerWaalsContact O-N 3.13Å; L139-N141 PolarHBondContact O-N 3.13Å; N141-F144 PolarHBondContact O-N 3.4Å; N141-K145 WeakPolarHBondContact O-CB 3.41Å; N141-K145 PolarHBondContact O-N 3.44Å
142T87.6Confident87.6Confident50 Ų5068.3 Ų68.331%0.30738%0.378SS..Hα-helixtrans-66.9-48.1176.856.70000111I138 L139 F144 K145 E146I138-T142 HydrophobicContact CG2-CG2 4.19Å; I138-T142 WeakPolarHBondContact O-CG2 3.48Å; I138-T142 PolarHBondContact O-N 3.09Å; I138-T142 PolarHBondContact O-OG1 3.44Å; L139-T142 WeakPolarHBondContact CA-OG1 3.42Å; L139-T142 PolarHBondContact O-N 3.3Å; L139-T142 PolarHBondContact O-OG1 3.16Å; T142-F144 VanDerWaalsContact C-N 3.29Å; T142-F144 PolarHBondContact O-N 2.96Å; T142-K145 WeakPolarHBondContact O-CB 3.48Å; T142-K145 PolarHBondContact O-N 3.48Å; T142-K145 VanDerWaalsContact O-N 3.14Å; T142-E146 WeakPolarHBondContact O-CG 3.45Å; T142-E146 PolarHBondContact O-N 2.97Å
143I88.5Confident87.4Confident104 Ų10475.5 Ų75.553%0.53341%0.412SS..Hα-helixtrans-59-44175.6-65.7166.5000110.4L139 E146 A147L139-I143 WeakPolarHBondContact O-CB 3.43Å; L139-I143 VanDerWaalsContact O-CG1 3.27Å; L139-I143 WeakPolarHBondContact O-CG1 3.36Å; L139-I143 PolarHBondContact O-N 3.33Å; I143-E146 PolarHBondContact O-N 3.02Å; I143-A147 WeakPolarHBondContact O-CB 3.34Å; I143-A147 PolarHBondContact O-N 3.11Å
144F89.4Confident87.2Confident128 Ų12876.1 Ų76.156%0.56141%0.412SS*.Hα-helixtrans-65.1-40.3177-176.7-105.3000112.3K140 N141 T142 A147 L148K140-F144 WeakPolarHBondContact O-CB 3.27Å; K140-F144 PolarHBondContact O-N 3.24Å; N141-F144 PolarHBondContact O-N 3.4Å; T142-F144 VanDerWaalsContact C-N 3.29Å; T142-F144 PolarHBondContact O-N 2.96Å; F144-A147 PolarHBondContact O-N 2.93Å; F144-L148 HydrophobicContact CD1-CD1 3.89Å; F144-L148 HydrophobicContact CD1-CG 4.5Å; F144-L148 HydrophobicContact CE1-CD1 3.33Å; F144-L148 HydrophobicContact CE1-CG 4.17Å; F144-L148 HydrophobicContact CE2-CD1 4.41Å; F144-L148 HydrophobicContact CE2-CG 4.5Å; F144-L148 HydrophobicContact CZ-CD1 3.64Å; F144-L148 HydrophobicContact CZ-CD2 4.48Å; F144-L148 HydrophobicContact CZ-CG 4.17Å; F144-L148 WeakPolarHBondContact O-CG 3.35Å; F144-L148 PolarHBondContact O-N 3.16Å
145K89.3Confident86.9Confident73 Ų7381.4 Ų81.432%0.31743%0.434SS..Hα-helixtrans-62.5-45.6176.6-173.7-174175.3-1770111N141 T142 L148 G149 I150 G151N141-K145 WeakPolarHBondContact O-CB 3.41Å; N141-K145 PolarHBondContact O-N 3.44Å; T142-K145 WeakPolarHBondContact O-CB 3.48Å; T142-K145 PolarHBondContact O-N 3.48Å; T142-K145 VanDerWaalsContact O-N 3.14Å; K145-L148 PolarHBondContact O-N 3.49Å; K145-G149 PolarHBondContact O-N 3.15Å; K145-I150 HydrophobicContact CD-CG2 4.24Å; K145-I150 VanDerWaalsContact CE-CG2 3.46Å; K145-I150 WeakPolarHBondContact CE-O 3.48Å; K145-I150 HydrophobicContact CG-CB 3.61Å; K145-I150 HydrophobicContact CG-CG2 3.74Å; K145-I150 WeakPolarHBondContact CG-O 3.36Å; K145-I150 WeakPolarHBondContact O-CB 3.13Å; K145-I150 PolarHBondContact O-N 2.91Å; K145-G151 WeakPolarHBondContact CE-O 3.4Å; K145-G151 PolarHBondContact NZ-O 2.87Å
146E89.1Confident86.5Confident117 Ų11787.7 Ų87.755%0.54747%0.465SS..Hα-helixtrans-61.5-45.6173.9-72.6-178.7179.400111.8T142 I143 L148 G149T142-E146 WeakPolarHBondContact O-CG 3.45Å; T142-E146 PolarHBondContact O-N 2.97Å; I143-E146 PolarHBondContact O-N 3.02Å; E146-L148 VanDerWaalsContact C-N 3.26Å; E146-L148 PolarHBondContact O-N 3.37Å; E146-G149 WeakPolarHBondContact O-CA 3.37Å; E146-G149 PolarHBondContact O-N 3.25Å
147A91.5Very high86.3Confident84 Ų8490.3 Ų90.369%0.69449%0.492SS*.Hα-helixtrans-62.5-31.2178.500000113.2I143 F144 G149I143-A147 WeakPolarHBondContact O-CB 3.34Å; I143-A147 PolarHBondContact O-N 3.11Å; F144-A147 PolarHBondContact O-N 2.93Å; A147-G149 PolarHBondContact O-N 3.35Å
148L90.9Very high86.1Confident103 Ų10391.2 Ų91.254%0.53950%0.497SS..THydrogen-bonded Turntrans-78.9-4.3172.7-70.8-179.1000113.6F144 K145 E146 I150F144-L148 HydrophobicContact CD1-CD1 3.89Å; F144-L148 HydrophobicContact CD1-CG 4.5Å; F144-L148 HydrophobicContact CE1-CD1 3.33Å; F144-L148 HydrophobicContact CE1-CG 4.17Å; F144-L148 HydrophobicContact CE2-CD1 4.41Å; F144-L148 HydrophobicContact CE2-CG 4.5Å; F144-L148 HydrophobicContact CZ-CD1 3.64Å; F144-L148 HydrophobicContact CZ-CD2 4.48Å; F144-L148 HydrophobicContact CZ-CG 4.17Å; F144-L148 WeakPolarHBondContact O-CG 3.35Å; F144-L148 PolarHBondContact O-N 3.16Å; K145-L148 PolarHBondContact O-N 3.49Å; E146-L148 VanDerWaalsContact C-N 3.26Å; E146-L148 PolarHBondContact O-N 3.37Å; L148-I150 VanDerWaalsContact C-N 3.3Å; L148-I150 HydrophobicContact CB-CD1 3.92Å; L148-I150 HydrophobicContact CB-CG1 3.88Å; L148-I150 HydrophobicContact CD1-CD1 4.01Å
149G85.9Confident85.8Confident49 Ų4991 Ų9151%0.50550%0.501SS..THydrogen-bonded Turntrans69.329.4-176.400000112.9K145 E146 A147K145-G149 PolarHBondContact O-N 3.15Å; E146-G149 WeakPolarHBondContact O-CA 3.37Å; E146-G149 PolarHBondContact O-N 3.25Å; A147-G149 PolarHBondContact O-N 3.35Å
150I86.5Confident85.6Confident51 Ų5195.2 Ų95.226%0.26253%0.528SS..  trans-93.5106.5176.3-57.4176.4000107.2K145 L148 F154K145-I150 HydrophobicContact CD-CG2 4.24Å; K145-I150 VanDerWaalsContact CE-CG2 3.46Å; K145-I150 WeakPolarHBondContact CE-O 3.48Å; K145-I150 HydrophobicContact CG-CB 3.61Å; K145-I150 HydrophobicContact CG-CG2 3.74Å; K145-I150 WeakPolarHBondContact CG-O 3.36Å; K145-I150 WeakPolarHBondContact O-CB 3.13Å; K145-I150 PolarHBondContact O-N 2.91Å; L148-I150 VanDerWaalsContact C-N 3.3Å; L148-I150 HydrophobicContact CB-CD1 3.92Å; L148-I150 HydrophobicContact CB-CG1 3.88Å; L148-I150 HydrophobicContact CD1-CD1 4.01Å; I150-F154 HydrophobicContact CG2-CB 3.36Å; I150-F154 HydrophobicContact CG2-CD1 3.56Å; I150-F154 HydrophobicContact CG2-CD2 3.98Å; I150-F154 HydrophobicContact CG2-CE1 4.32Å; I150-F154 HydrophobicContact CG2-CG 3.35Å
151G83.7Confident85.4Confident46 Ų4695.7 Ų95.747%0.47453%0.532SS..  trans-71.1174178.900000113.7K145 Q153 F154K145-G151 WeakPolarHBondContact CE-O 3.4Å; K145-G151 PolarHBondContact NZ-O 2.87Å; G151-Q153 PolarHBondContact O-N 2.92Å; G151-F154 WeakPolarHBondContact O-CB 3.46Å; G151-F154 PolarHBondContact O-N 3.47Å
152E84.1Confident85.1Confident181 Ų18194.5 Ų94.585%0.84653%0.525SS*.THydrogen-bonded Turntrans-60.3-33.7172.9-169.5171.8-17400112.2F154E152-F154 PolarHBondContact O-N 3.33Å; E152-F154 VanDerWaalsContact O-N 3.15Å
153Q82.3Confident84.9Confident170 Ų17094.3 Ų94.379%0.79453%0.528SS*.THydrogen-bonded Turntrans-71.8-0.6178.7-56.9-66-21.300114.4G151 Q155G151-Q153 PolarHBondContact O-N 2.92Å; Q153-Q155 PolarHBondContact O-N 3.33Å
154F83.8Confident84.8Confident77 Ų7792.4 Ų92.434%0.33852%0.522SS..  trans-73.8112.7-179.7-179.7-97.5000111I150 G151 E152I150-F154 HydrophobicContact CG2-CB 3.36Å; I150-F154 HydrophobicContact CG2-CD1 3.56Å; I150-F154 HydrophobicContact CG2-CD2 3.98Å; I150-F154 HydrophobicContact CG2-CE1 4.32Å; I150-F154 HydrophobicContact CG2-CG 3.35Å; G151-F154 WeakPolarHBondContact O-CB 3.46Å; G151-F154 PolarHBondContact O-N 3.47Å; E152-F154 PolarHBondContact O-N 3.33Å; E152-F154 VanDerWaalsContact O-N 3.15Å
155Q81.4Confident84.7Confident125 Ų12590.6 Ų90.658%0.58452%0.515SS*.  trans-99.5134.8170.2-65.9178.6-0.800109.9Q153 N158Q153-Q155 PolarHBondContact O-N 3.33Å; Q155-N158 HydrophobicContact CB-CB 4.4Å; Q155-N158 PolarHBondContact O-N 2.98Å; Q155-N158 PolarHBondContact OE1-ND2 2.89Å
156D80.4Confident84.5Confident153 Ų15394 Ų9482%0.81853%0.526SS*.THydrogen-bonded Turntrans-63.7142.3175.7-163.812.4000110.5N158D156-N158 VanDerWaalsContact C-N 3.29Å; D156-N158 PolarHBondContact O-N 3.01Å
157G82.3Confident84.5Confident56 Ų5695.6 Ų95.658%0.57753%0.531SS*.THydrogen-bonded Turntrans85.6-26.7-171.400000115.5S159G157-S159 PolarHBondContact O-N 3.17Å; G157-S159 VanDerWaalsContact O-N 3.17Å
158N82.8Confident84.5Confident69 Ų6998.2 Ų98.237%0.36953%0.527SS..THydrogen-bonded Turntrans-80.38.2179.4-71.7-3.7000114Q155 D156 V160 E161 L162Q155-N158 HydrophobicContact CB-CB 4.4Å; Q155-N158 PolarHBondContact O-N 2.98Å; Q155-N158 PolarHBondContact OE1-ND2 2.89Å; D156-N158 VanDerWaalsContact C-N 3.29Å; D156-N158 PolarHBondContact O-N 3.01Å; N158-V160 VanDerWaalsContact C-N 3.27Å; N158-V160 PolarHBondContact O-N 3.26Å; N158-E161 PolarHBondContact O-N 2.88Å; N158-L162 WeakPolarHBondContact O-CB 2.98Å; N158-L162 PolarHBondContact O-N 3.21Å
159S80.6Confident84.5Confident67 Ų6797.4 Ų97.447%0.46952%0.523SS..Hα-helixtrans-58.8-36.4-177.863.40000113.3G157 A163G157-S159 PolarHBondContact O-N 3.17Å; G157-S159 VanDerWaalsContact O-N 3.17Å; S159-A163 VanDerWaalsContact O-CB 3.27Å; S159-A163 WeakPolarHBondContact O-CB 3.31Å; S159-A163 PolarHBondContact O-N 3.48Å
160V83.5Confident84.7Confident107 Ų10799.4 Ų99.465%0.64852%0.522SS*.Hα-helixtrans-70.2-44.5178.5-179.80000110.6N158 A163 V164N158-V160 VanDerWaalsContact C-N 3.27Å; N158-V160 PolarHBondContact O-N 3.26Å; V160-A163 WeakPolarHBondContact O-CB 3.46Å; V160-A163 PolarHBondContact O-N 3.38Å; V160-V164 WeakPolarHBondContact O-CG2 3.35Å; V160-V164 PolarHBondContact O-N 3.14Å
161E81.9Confident85Confident121 Ų12199.6 Ų99.657%0.56553%0.531SS*.Hα-helixtrans-69.2-42.5-179.9-175.8147.2-158.200111.9N158 A163 V164 Q165N158-E161 PolarHBondContact O-N 2.88Å; E161-A163 PolarHBondContact O-N 3.22Å; E161-V164 CarbonylContact O-C 3.52Å; E161-V164 WeakPolarHBondContact O-CA 3.3Å; E161-V164 WeakPolarHBondContact O-CB 3.49Å; E161-V164 PolarHBondContact O-N 3.13Å; E161-Q165 WeakPolarHBondContact O-CG 3.27Å; E161-Q165 PolarHBondContact O-N 3.41Å
162L80.9Confident85.4Confident54 Ų54103.1 Ų103.128%0.28354%0.536SS..Hα-helixtrans-60.3-36.4173.3-154.291.9000111.2N158 R166N158-L162 WeakPolarHBondContact O-CB 2.98Å; N158-L162 PolarHBondContact O-N 3.21Å; L162-R166 WeakPolarHBondContact O-CB 3.36Å; L162-R166 VanDerWaalsContact O-CG 3.22Å; L162-R166 WeakPolarHBondContact O-CG 3.46Å; L162-R166 PolarHBondContact O-N 3.46Å
163A84Confident85.8Confident45 Ų4598.1 Ų98.137%0.37252%0.518SS..Hα-helixtrans-70.3-33.5174.800000112.7S159 V160 E161 K167S159-A163 VanDerWaalsContact O-CB 3.27Å; S159-A163 WeakPolarHBondContact O-CB 3.31Å; S159-A163 PolarHBondContact O-N 3.48Å; V160-A163 WeakPolarHBondContact O-CB 3.46Å; V160-A163 PolarHBondContact O-N 3.38Å; E161-A163 PolarHBondContact O-N 3.22Å; A163-K167 VanDerWaalsContact O-CG 3.3Å; A163-K167 WeakPolarHBondContact O-CG 3.49Å; A163-K167 PolarHBondContact O-N 3Å; A163-K167 VanDerWaalsContact O-N 3.15Å
164V87Confident86.4Confident65 Ų6595.9 Ų95.939%0.39451%0.505SS..Hα-helixtrans-69.2-44.1172.8170.70000110.6V160 E161 K167 K168V160-V164 WeakPolarHBondContact O-CG2 3.35Å; V160-V164 PolarHBondContact O-N 3.14Å; E161-V164 CarbonylContact O-C 3.52Å; E161-V164 WeakPolarHBondContact O-CA 3.3Å; E161-V164 WeakPolarHBondContact O-CB 3.49Å; E161-V164 PolarHBondContact O-N 3.13Å; V164-K167 WeakPolarHBondContact O-CB 3.47Å; V164-K167 PolarHBondContact O-N 3.26Å; V164-K168 HydrophobicContact CG1-CD 4.48Å; V164-K168 WeakPolarHBondContact O-CG 3.22Å; V164-K168 PolarHBondContact O-N 3.35Å
165Q85.8Confident86.7Confident90 Ų90101.6 Ų101.642%0.42152%0.524SS..Hα-helixtrans-60.8-51.5175.3-73.9172-1.800111E161 K167 K168 D169E161-Q165 WeakPolarHBondContact O-CG 3.27Å; E161-Q165 PolarHBondContact O-N 3.41Å; Q165-K167 PolarHBondContact O-N 3.24Å; Q165-K167 VanDerWaalsContact O-N 3.11Å; Q165-K168 WeakPolarHBondContact O-CA 3.41Å; Q165-K168 WeakPolarHBondContact O-CB 3.43Å; Q165-K168 PolarHBondContact O-N 3.28Å; Q165-D169 VanDerWaalsContact O-CG 3.26Å; Q165-D169 PolarHBondContact O-N 2.93Å
166R86.2Confident87.2Confident144 Ų144100.6 Ų100.654%0.54352%0.522SS..Hα-helixtrans-53.2-37.9174.4-75.5174.3-178.6-175.5-0.8112.8L162 D170L162-R166 WeakPolarHBondContact O-CB 3.36Å; L162-R166 VanDerWaalsContact O-CG 3.22Å; L162-R166 WeakPolarHBondContact O-CG 3.46Å; L162-R166 PolarHBondContact O-N 3.46Å; R166-D170 WeakPolarHBondContact O-CB 3.46Å; R166-D170 PolarHBondContact O-N 3.09Å
167K88.8Confident87.8Confident151 Ų15196.7 Ų96.766%0.65750%0.504SS*.Hα-helixtrans-69.2-36.7175.3-78.4176-178.7178.50113.2A163 V164 Q165 A171A163-K167 VanDerWaalsContact O-CG 3.3Å; A163-K167 WeakPolarHBondContact O-CG 3.49Å; A163-K167 PolarHBondContact O-N 3Å; A163-K167 VanDerWaalsContact O-N 3.15Å; V164-K167 WeakPolarHBondContact O-CB 3.47Å; V164-K167 PolarHBondContact O-N 3.26Å; Q165-K167 PolarHBondContact O-N 3.24Å; Q165-K167 VanDerWaalsContact O-N 3.11Å; K167-A171 WeakPolarHBondContact O-CB 3.48Å; K167-A171 PolarHBondContact O-N 2.99Å; K167-A171 VanDerWaalsContact O-N 3.11Å
168K91Very high88.1Confident139 Ų13999.6 Ų99.660%0.60450%0.502SS*.Hα-helixtrans-67.4-48.3175.6-72177.3178.8179.60110.2V164 Q165 D170 A171 E172V164-K168 HydrophobicContact CG1-CD 4.48Å; V164-K168 WeakPolarHBondContact O-CG 3.22Å; V164-K168 PolarHBondContact O-N 3.35Å; Q165-K168 WeakPolarHBondContact O-CA 3.41Å; Q165-K168 WeakPolarHBondContact O-CB 3.43Å; Q165-K168 PolarHBondContact O-N 3.28Å; K168-D170 PolarHBondContact O-N 3.3Å; K168-A171 CarbonylContact O-C 3.58Å; K168-A171 WeakPolarHBondContact O-CA 3.18Å; K168-A171 WeakPolarHBondContact O-CB 3.42Å; K168-A171 PolarHBondContact O-N 3.06Å; K168-E172 PolarHBondContact O-N 3.04Å
169D90.9Very high88.5Confident85 Ų8598.4 Ų98.446%0.45550%0.503SS..Hα-helixtrans-61.7-43.3177.7-54.5-18.3000110.9Q165 A171 E172 T173Q165-D169 VanDerWaalsContact O-CG 3.26Å; Q165-D169 PolarHBondContact O-N 2.93Å; D169-A171 PolarHBondContact O-N 2.96Å; D169-E172 PolarHBondContact O-N 3.15Å; D169-T173 WeakPolarHBondContact O-CB 3.47Å; D169-T173 WeakPolarHBondContact O-CG2 3.37Å; D169-T173 PolarHBondContact O-N 3.31Å; D169-T173 PolarHBondContact O-OG1 3.28Å
170D91.6Very high88.9Confident91 Ų91101.2 Ų101.249%0.48751%0.508SS..Hα-helixtrans-62-28.2173.6-84.2-7.6000113.1R166 K168 T173 K174R166-D170 WeakPolarHBondContact O-CB 3.46Å; R166-D170 PolarHBondContact O-N 3.09Å; K168-D170 PolarHBondContact O-N 3.3Å; D170-T173 WeakPolarHBondContact CA-OG1 3.36Å; D170-T173 PolarHBondContact O-OG1 3.11Å; D170-K174 WeakPolarHBondContact O-CD 3.39Å; D170-K174 WeakPolarHBondContact O-CE 3.21Å; D170-K174 WeakPolarHBondContact O-CG 3.19Å; D170-K174 PolarHBondContact O-N 2.81Å
171A92.9Very high89.1Confident56 Ų56101.2 Ų101.246%0.46350%0.5SS..Hα-helixtrans-82.5-41177.500000111.1K167 K168 D169 K174 R175K167-A171 WeakPolarHBondContact O-CB 3.48Å; K167-A171 PolarHBondContact O-N 2.99Å; K167-A171 VanDerWaalsContact O-N 3.11Å; K168-A171 CarbonylContact O-C 3.58Å; K168-A171 WeakPolarHBondContact O-CA 3.18Å; K168-A171 WeakPolarHBondContact O-CB 3.42Å; K168-A171 PolarHBondContact O-N 3.06Å; D169-A171 PolarHBondContact O-N 2.96Å; A171-K174 PolarHBondContact O-N 3.24Å; A171-R175 WeakPolarHBondContact O-CB 3.17Å; A171-R175 PolarHBondContact O-N 2.84Å
172E92Very high89.2Confident120 Ų120101.5 Ų101.556%0.56150%0.501SS*.Hα-helixtrans-65.7-46176.8-173.2172.5-17300111.6K168 D169 K174 R175 L176K168-E172 PolarHBondContact O-N 3.04Å; D169-E172 PolarHBondContact O-N 3.15Å; E172-K174 VanDerWaalsContact C-N 3.32Å; E172-K174 PolarHBondContact O-N 2.88Å; E172-R175 WeakPolarHBondContact O-CB 3.5Å; E172-R175 PolarHBondContact O-N 2.88Å; E172-R175 VanDerWaalsContact O-N 3.12Å; E172-L176 HydrophobicContact CG-CD1 4.45Å; E172-L176 WeakPolarHBondContact O-CG 3.23Å; E172-L176 PolarHBondContact O-N 3Å
173T92Very high89Confident76 Ų76105.5 Ų105.547%0.46652%0.52SS..Hα-helixtrans-59.3-40.8174.153.80000112.2D169 D170 V177D169-T173 WeakPolarHBondContact O-CB 3.47Å; D169-T173 WeakPolarHBondContact O-CG2 3.37Å; D169-T173 PolarHBondContact O-N 3.31Å; D169-T173 PolarHBondContact O-OG1 3.28Å; D170-T173 WeakPolarHBondContact CA-OG1 3.36Å; D170-T173 PolarHBondContact O-OG1 3.11Å; T173-V177 WeakPolarHBondContact O-CB 3.46Å; T173-V177 VanDerWaalsContact O-CG2 3.23Å; T173-V177 WeakPolarHBondContact O-CG2 3.35Å; T173-V177 PolarHBondContact O-N 2.87Å
174K93.6Very high88.7Confident123 Ų123110.9 Ų110.954%0.53554%0.535SS..Hα-helixtrans-63.7-43.9173.4-76.9170.3-163.3149.90112D170 A171 E172 V177 E178D170-K174 WeakPolarHBondContact O-CD 3.39Å; D170-K174 WeakPolarHBondContact O-CE 3.21Å; D170-K174 WeakPolarHBondContact O-CG 3.19Å; D170-K174 PolarHBondContact O-N 2.81Å; A171-K174 PolarHBondContact O-N 3.24Å; E172-K174 VanDerWaalsContact C-N 3.32Å; E172-K174 PolarHBondContact O-N 2.88Å; K174-V177 PolarHBondContact O-N 2.93Å; K174-E178 WeakPolarHBondContact O-CB 3.42Å; K174-E178 WeakPolarHBondContact O-CG 3.37Å; K174-E178 PolarHBondContact O-N 3Å
175R91.7Very high88Confident197 Ų197112 Ų11274%0.74354%0.541SS*.Hα-helixtrans-62.3-42.6178.5-170.4-178-179.9-173.30111.7A171 E172 E178 A179A171-R175 WeakPolarHBondContact O-CB 3.17Å; A171-R175 PolarHBondContact O-N 2.84Å; E172-R175 WeakPolarHBondContact O-CB 3.5Å; E172-R175 PolarHBondContact O-N 2.88Å; E172-R175 VanDerWaalsContact O-N 3.12Å; R175-E178 PolarHBondContact O-N 3.44Å; R175-A179 WeakPolarHBondContact O-CB 3.43Å; R175-A179 PolarHBondContact O-N 3.22Å
176L91.5Very high86.8Confident103 Ų103113.2 Ų113.254%0.53955%0.55SS.*Hα-helixtrans-63.8-42.1175.1-74.2172.8000111.9E172 E178 A179 Q180E172-L176 HydrophobicContact CG-CD1 4.45Å; E172-L176 WeakPolarHBondContact O-CG 3.23Å; E172-L176 PolarHBondContact O-N 3Å; L176-E178 VanDerWaalsContact C-N 3.32Å; L176-E178 PolarHBondContact O-N 3.29Å; L176-A179 PolarHBondContact O-N 2.86Å; L176-Q180 WeakPolarHBondContact O-CB 3.4Å; L176-Q180 WeakPolarHBondContact O-CG 3.48Å; L176-Q180 PolarHBondContact O-N 3.34Å
177V92Very high85.5Confident71 Ų71113 Ų11343%0.4356%0.56SS.*Hα-helixtrans-66.1-34.4176.1169.50000112T173 K174 K181T173-V177 WeakPolarHBondContact O-CB 3.46Å; T173-V177 VanDerWaalsContact O-CG2 3.23Å; T173-V177 WeakPolarHBondContact O-CG2 3.35Å; T173-V177 PolarHBondContact O-N 2.87Å; K174-V177 PolarHBondContact O-N 2.93Å; V177-K181 VanDerWaalsContact O-CG 3.3Å; V177-K181 WeakPolarHBondContact O-CG 3.39Å; V177-K181 PolarHBondContact O-N 2.82Å
178E90.1Very high84Confident117 Ų117110.7 Ų110.755%0.54756%0.563SS.*Hα-helixtrans-70.8-47.3174.4-75.8170.6-175.500111.2K174 R175 L176 Q180 K181 E182K174-E178 WeakPolarHBondContact O-CB 3.42Å; K174-E178 WeakPolarHBondContact O-CG 3.37Å; K174-E178 PolarHBondContact O-N 3Å; R175-E178 PolarHBondContact O-N 3.44Å; L176-E178 VanDerWaalsContact C-N 3.32Å; L176-E178 PolarHBondContact O-N 3.29Å; E178-Q180 VanDerWaalsContact C-N 3.34Å; E178-Q180 PolarHBondContact O-N 3.38Å; E178-K181 WeakPolarHBondContact O-CA 3.49Å; E178-K181 WeakPolarHBondContact O-CB 3.4Å; E178-K181 PolarHBondContact O-N 3.02Å; E178-E182 PolarHBondContact O-N 3.11Å
179A90.3Very high82.3Confident45 Ų45107.8 Ų107.837%0.37256%0.56SS.*Hα-helixtrans-59.4-41.217600000112.7R175 L176 K181 E182 M183R175-A179 WeakPolarHBondContact O-CB 3.43Å; R175-A179 PolarHBondContact O-N 3.22Å; L176-A179 PolarHBondContact O-N 2.86Å; A179-K181 VanDerWaalsContact C-N 3.26Å; A179-K181 PolarHBondContact O-N 3.48Å; A179-E182 PolarHBondContact O-N 3.48Å; A179-M183 WeakPolarHBondContact O-CG 3.3Å; A179-M183 PolarHBondContact O-N 3.12Å
180Q88.9Confident80.5Confident126 Ų126110.9 Ų110.959%0.58958%0.577SS**Hα-helixtrans-64.2-29.4174.4-78-177.1-8.200113.1L176 E178 K184L176-Q180 WeakPolarHBondContact O-CB 3.4Å; L176-Q180 WeakPolarHBondContact O-CG 3.48Å; L176-Q180 PolarHBondContact O-N 3.34Å; E178-Q180 VanDerWaalsContact C-N 3.34Å; E178-Q180 PolarHBondContact O-N 3.38Å; Q180-K184 WeakPolarHBondContact O-CG 3.4Å; Q180-K184 PolarHBondContact O-N 2.86Å
181K88Confident78.4Confident107 Ų107114 Ų11447%0.46559%0.593SS.*Hα-helixtrans-75.9-41.9174.7-73.9169.6-174169.50111.6V177 E178 A179 K184 T185V177-K181 VanDerWaalsContact O-CG 3.3Å; V177-K181 WeakPolarHBondContact O-CG 3.39Å; V177-K181 PolarHBondContact O-N 2.82Å; E178-K181 WeakPolarHBondContact O-CA 3.49Å; E178-K181 WeakPolarHBondContact O-CB 3.4Å; E178-K181 PolarHBondContact O-N 3.02Å; A179-K181 VanDerWaalsContact C-N 3.26Å; A179-K181 PolarHBondContact O-N 3.48Å; K181-K184 PolarHBondContact O-N 2.93Å; K181-T185 WeakPolarHBondContact O-CG2 3.49Å; K181-T185 PolarHBondContact O-N 3.46Å; K181-T185 PolarHBondContact O-OG1 3.37Å
182E83.1Confident76Confident127 Ų127118.3 Ų118.359%0.59361%0.609SS**Hα-helixtrans-62-43176.9-71.8179.2175.500111.5E178 A179 K184 T185 L186E178-E182 PolarHBondContact O-N 3.11Å; A179-E182 PolarHBondContact O-N 3.48Å; E182-K184 VanDerWaalsContact C-N 3.33Å; E182-K184 PolarHBondContact O-N 3.27Å; E182-T185 WeakPolarHBondContact CA-OG1 3.34Å; E182-T185 PolarHBondContact O-N 3.39Å; E182-T185 PolarHBondContact O-OG1 2.93Å; E182-L186 WeakPolarHBondContact O-CG 3.46Å; E182-L186 PolarHBondContact O-N 3.32Å; E182-L186 VanDerWaalsContact O-N 3.11Å
183M76.6Confident73.5Confident137 Ų137120.5 Ų120.568%0.67562%0.619SS**Hα-helixtrans-60-41.8174.1-72.2-67.4-67.300112.2A179 T185 L186 D187A179-M183 WeakPolarHBondContact O-CG 3.3Å; A179-M183 PolarHBondContact O-N 3.12Å; M183-T185 VanDerWaalsContact C-N 3.32Å; M183-T185 PolarHBondContact O-N 2.87Å; M183-L186 PolarHBondContact O-N 3.32Å; M183-D187 PolarHBondContact O-N 2.88Å; M183-D187 VanDerWaalsContact O-N 3.17Å
184K78.3Confident71Confident158 Ų158123.4 Ų123.469%0.68764%0.637SS**Hα-helixtrans-67.4-29.7176.8-77.9178.6178.8-173.20113.5Q180 K181 E182Q180-K184 WeakPolarHBondContact O-CG 3.4Å; Q180-K184 PolarHBondContact O-N 2.86Å; K181-K184 PolarHBondContact O-N 2.93Å; E182-K184 VanDerWaalsContact C-N 3.33Å; E182-K184 PolarHBondContact O-N 3.27Å
185T71.9Confident68.4Low88 Ų88122.7 Ų122.754%0.5465%0.647SS.*Hα-helixtrans-77.5-31.1177.7490000112.6K181 E182 M183 S189K181-T185 WeakPolarHBondContact O-CG2 3.49Å; K181-T185 PolarHBondContact O-N 3.46Å; K181-T185 PolarHBondContact O-OG1 3.37Å; E182-T185 WeakPolarHBondContact CA-OG1 3.34Å; E182-T185 PolarHBondContact O-N 3.39Å; E182-T185 PolarHBondContact O-OG1 2.93Å; M183-T185 VanDerWaalsContact C-N 3.32Å; M183-T185 PolarHBondContact O-N 2.87Å; T185-S189 PolarHBondContact O-OG 3.32Å
186L61.6Low65.9Low116 Ų116118.5 Ų118.561%0.60765%0.648SS**Hα-helixtrans-75.6-37.5177.6-68.1169.6000111.9E182 M183 S188 S189E182-L186 WeakPolarHBondContact O-CG 3.46Å; E182-L186 PolarHBondContact O-N 3.32Å; E182-L186 VanDerWaalsContact O-N 3.11Å; M183-L186 PolarHBondContact O-N 3.32Å; L186-S188 PolarHBondContact O-N 3.32Å; L186-S189 WeakPolarHBondContact O-CB 3.34Å; L186-S189 PolarHBondContact O-N 2.96Å; L186-S189 VanDerWaalsContact O-N 3.09Å
187D57.9Low63.2Low139 Ų139119.5 Ų119.574%0.74366%0.664SS**THydrogen-bonded Turntrans-69.7-8.8176.6-159.941.7000113.8M183M183-D187 PolarHBondContact O-N 2.88Å; M183-D187 VanDerWaalsContact O-N 3.17Å
188S57.4Low61Low103 Ų103123.5 Ų123.572%0.7268%0.681SS**THydrogen-bonded Turntrans-103.312172-710000113.4L186L186-S188 PolarHBondContact O-N 3.32Å
189S55.8Low58.5Low79 Ų79122.9 Ų122.955%0.55269%0.689SS**SBendtrans-105.1-1.9-176-550000114.7T185 L186T185-S189 PolarHBondContact O-OG 3.32Å; L186-S189 WeakPolarHBondContact O-CB 3.34Å; L186-S189 PolarHBondContact O-N 2.96Å; L186-S189 VanDerWaalsContact O-N 3.09Å
190D52.5Low56.2Low149 Ų149126.1 Ų126.180%0.79771%0.709SS**SBendtrans-113.912.1-175.1-77.7-37.9000115.1
191D48.4Very low54Low156 Ų156127.5 Ų127.583%0.83472%0.716SS**  trans-114.382.6171.6-73.8-54.8000110.9
192D42.3Very low51.6Low148 Ų148128.3 Ų128.379%0.79174%0.735SS**  trans-72.8143.7164.1-83.9-51.3000111
193E39.9Very low49.8Very low166 Ų166130.6 Ų130.678%0.77674%0.743SS**  trans73.289.8162.5-59.3-70.415600118.4
194V38.4Very low48.4Very low137 Ų137130.4 Ų130.483%0.8374%0.744SS**  165.5132.8114.1-81.90000113
195S39.2Very low46.9Very low108 Ų108129.9 Ų129.976%0.75575%0.749SS**  trans68.597.2147.6165.10000119.2
196S40.2Very low45.7Very low108 Ų108130.9 Ų130.976%0.75575%0.751SS**  151106.1106.660.60000112.2I198S196-I198 PolarHBondContact O-N 3.03Å
197S35.4Very low45.2Very low125 Ų125131 Ų13187%0.87475%0.751SS**  trans-64.5101.6164.5490000110.6
198I45.1Very low44.8Very low155 Ų155131.8 Ų131.880%0.79575%0.749SS**  trans-155.8136.3147-157.4149.5000112.7S196S196-I198 PolarHBondContact O-N 3.03Å
199S37.7Very low44.7Very low103 Ų103132.9 Ų132.972%0.7274%0.742SS**  trans-48.3136.6-177.848.90000116.6
200S42.3Very low44.6Very low114 Ų114134.2 Ų134.280%0.79774%0.74SS**  trans-169.295.4133.8440000110.7
201H41.4Very low44.5Very low155 Ų155133.9 Ų133.972%0.71873%0.733SS**  78.172.8101.7-111.945.6000116K203H201-K203 PolarHBondContact O-N 3.24Å
202S37.5Very low44.7Very low124 Ų124134.8 Ų134.887%0.86773%0.73SS**  21.175.8120-540000117.6
203K45.4Very low45.3Very low175 Ų175136.6 Ų136.676%0.76173%0.725SS**  trans-146.374.4166-73.3-176.4-178.6165.70111.2H201H201-K203 PolarHBondContact O-N 3.24Å
204D47.3Very low45.9Very low133 Ų133135.4 Ų135.471%0.71172%0.717SS**SBendtrans-157.5-6.9160.2-109.1-30000117.8N206D204-N206 PolarHBondContact O-N 3.36Å
205N48.4Very low46.5Very low146 Ų146136.7 Ų136.778%0.78171%0.712SS**SBendtrans-891.9-177.8-77-36.1000115.5
206N46.1Very low47.1Very low109 Ų109139.6 Ų139.658%0.58371%0.711SS**SBendtrans-94-23.6-176-148.2-20.2000114.2D204 Q210D204-N206 PolarHBondContact O-N 3.36Å; N206-Q210 PolarHBondContact O-N 2.99Å
207L51Low47.8Very low118 Ų118140.6 Ų140.662%0.61870%0.704SS**Hα-helixtrans-74.1-32179.9-85.1113.9000113.6H211L207-H211 PolarHBondContact O-N 3.42Å
208K50.3Low48.5Very low157 Ų157143 Ų14368%0.68370%0.699SS**Hα-helixtrans-74.6-25.9179.8-93.7173.4178.2167.60114.2
209Q54Low48.7Very low125 Ų125143.4 Ų143.458%0.58470%0.695SS**Hα-helixtrans-82.9-29175.5-68.4-167.523.300112.7R213Q209-R213 PolarHBondContact O-N 3.11Å
210Q54.9Low49.3Very low107 Ų107146.1 Ų146.150%0.569%0.693SS.*Hα-helixtrans-71.4-34.6176.5-70.8-164.827.200113.6N206 R213 K214N206-Q210 PolarHBondContact O-N 2.99Å; Q210-R213 PolarHBondContact O-N 3.32Å; Q210-K214 PolarHBondContact O-N 2.97Å
211H50.1Low49.8Very low143 Ų143148.6 Ų148.666%0.66269%0.69SS**Hα-helixtrans-70.9-29.7175.7-87.2-88.8000113.6L207 K215L207-H211 PolarHBondContact O-N 3.42Å; H211-K215 PolarHBondContact O-N 3.45Å
212K52.9Low50Low175 Ų175149.5 Ų149.576%0.76169%0.691SS**Hα-helixtrans-74.5-31.4174.3-89-179.1175.2176.70112.8
213R53.6Low50.4Low185 Ų185146.9 Ų146.970%0.69867%0.673SS**Hα-helixtrans-73.8-41.1176.4-73.6-178.2169.4-179.3-2.6112.5Q209 Q210 K215 K216 E217Q209-R213 PolarHBondContact O-N 3.11Å; Q210-R213 PolarHBondContact O-N 3.32Å; R213-K215 VanDerWaalsContact C-N 3.31Å; R213-K215 PolarHBondContact O-N 3.18Å; R213-K216 PolarHBondContact O-N 3.42Å; R213-E217 PolarHBondContact O-N 3.17Å
214K53Low50.6Low141 Ų141143.8 Ų143.861%0.61367%0.669SS**Hα-helixtrans-65.1-27.3175.6-74.5-176.2176.7176.40114.1Q210Q210-K214 PolarHBondContact O-N 2.97Å
215K51.3Low50.5Low165 Ų165146.5 Ų146.572%0.71767%0.674SS**Hα-helixtrans-79.5-24.1176.9-153.8172.1-173.9174.50113.2H211 R213H211-K215 PolarHBondContact O-N 3.45Å; R213-K215 VanDerWaalsContact C-N 3.31Å; R213-K215 PolarHBondContact O-N 3.18Å
216K52.4Low50.3Low168 Ų168148.7 Ų148.773%0.7368%0.677SS**Hα-helixtrans-82.8-30.6175-104.2-179.8175.1179.90112.8R213 K220R213-K216 PolarHBondContact O-N 3.42Å; K216-K220 PolarHBondContact O-N 3.09Å
217E53.6Low50.2Low130 Ų130154 Ų15461%0.60769%0.689SS**Hα-helixtrans-73.7-36.7175.2-79.6-172.4134.400114R213 K219 K220 K221R213-E217 PolarHBondContact O-N 3.17Å; E217-K219 PolarHBondContact O-N 2.78Å; E217-K220 PolarHBondContact O-N 3.19Å; E217-K221 PolarHBondContact O-N 2.92Å
218K50.3Low49.8Very low176 Ų176157.4 Ų157.477%0.76570%0.699SS**Hα-helixtrans-66.1-23.7175.2-89.1-176.9174.1179.50113.4
219K50.3Low49.4Very low163 Ų163159.3 Ų159.371%0.70971%0.71SS**Hα-helixtrans-80.5-31.7174.5-79.7-171173-173.20113.2E217E217-K219 PolarHBondContact O-N 2.78Å
220K50Low48.7Very low159 Ų159158.1 Ų158.169%0.69172%0.715SS**Hα-helixtrans-75.2-28.4175.3-73.5-170.3175.9-173.90113.5K216 E217 S223 V224K216-K220 PolarHBondContact O-N 3.09Å; E217-K220 PolarHBondContact O-N 3.19Å; K220-S223 PolarHBondContact O-OG 3.31Å; K220-V224 WeakPolarHBondContact O-CG2 3.44Å
221K51.4Low48.1Very low167 Ų167162 Ų16273%0.72673%0.733SS**Hα-helixtrans-77-17175.8-68-170.7178.6-176.70114.5E217E217-K221 PolarHBondContact O-N 2.92Å
222K46.9Very low47.8Very low173 Ų173161.3 Ų161.375%0.75274%0.744SS**Hα-helixtrans-88.5-22.6175.3-102.4-178.6175.8-178.70113.8
223S45.1Very low47.3Very low70 Ų70156.3 Ų156.349%0.4974%0.743SS.*Hα-helixtrans-85.8-16.217857.50000114.2K220K220-S223 PolarHBondContact O-OG 3.31Å
224V50.6Low46.8Very low109 Ų109155 Ų15566%0.66175%0.75SS**SBendtrans-87.7-18.5177.8-179.40000112.7K220K220-V224 WeakPolarHBondContact O-CG2 3.44Å
225K45.1Very low46.6Very low191 Ų191155.7 Ų155.783%0.8376%0.76SS**THydrogen-bonded Turntrans-88.5-3.7176.7-83.3-172.5172.9-175.40115.2
226K43.9Very low46.5Very low192 Ų192154.9 Ų154.984%0.83576%0.763SS**THydrogen-bonded Turntrans-109.514.2-178.5-79.7-161.5173-167.80114.8
227R43.2Very low46.2Very low220 Ų220153.9 Ų153.983%0.8377%0.766SS**SBendtrans-128.226.4-175.8-77.6-172.6155.1-178-6.7114.9
228K44.2Very low45.7Very low190 Ų190155.3 Ų155.383%0.82678%0.778SS**SBendtrans-11819.2-180-81.9-159.7172.6-1670115.5
229H41.4Very low45.4Very low197 Ų197150.1 Ų150.191%0.91277%0.774SS**SBendtrans-125.629-178.9-96-53.1000115.4
230S39.4Very low44.8Very low99 Ų99146.1 Ų146.169%0.69278%0.78SS**  trans-147.488.1176.459.20000109.9
231Q42.2Very low44.6Very low189 Ų189144 Ų14488%0.88379%0.785SS**  trans171.9146.2147.6-97.4172.9-8.200110.4
232S44.3Very low44.3Very low129 Ų129144 Ų14490%0.90279%0.793SS**  trans69123.1-176.570.40000115.1
233G42.1Very low44Very low70 Ų70139.3 Ų139.372%0.72279%0.793SS**  cis149.6132.114.200000105.8
234D41.8Very low44Very low158 Ų158143.5 Ų143.585%0.84582%0.815SS**  trans-48136.6174.7-53.9-75.2000111.4
235D49.8Very low43.6Very low155 Ų155141.9 Ų141.983%0.82982%0.821SS**  trans179.2150.8132.1-96-33.7000111.4
236D48.1Very low43.5Very low147 Ų147142.4 Ų142.479%0.78683%0.826SS**  trans-69.3172.4-163.4-64.4-68.9000116.6
237N47.6Very low43.2Very low148 Ų148142.3 Ų142.379%0.79183%0.826SS**  trans105.6106.2140.9-115.3-18000119
238D41.7Very low43.2Very low159 Ų159139.5 Ų139.585%0.8583%0.827SS**  35.8140.8122.2-157.526.4000121
239G43.6Very low43.2Very low67 Ų67140 Ų14069%0.69183%0.83SS**  trans129.289.3164.500000114.3
240G38.7Very low43.4Very low80 Ų80137.1 Ų137.183%0.82583%0.826SS**  trans-64.9153.7171.500000113.9
241S46.4Very low43.4Very low115 Ų115137.9 Ų137.980%0.80483%0.832SS**  trans-177123.6138.4174.50000110.4
242N43.4Very low43.5Very low167 Ų167134.6 Ų134.689%0.89383%0.83SS**  trans-18.2125.4160.5-61.5-37000116.5
243G42.3Very low43.4Very low74 Ų74133.2 Ų133.276%0.76382%0.82SS**  trans-147103.3168.700000110.3
244V45.1Very low43.5Very low157 Ų157137.8 Ų137.895%0.95283%0.825SS**  trans-55.8138.6174.8-75.10000112.5
245G42.2Very low43.8Very low75 Ų75135.2 Ų135.277%0.77382%0.815SS**  trans-176.382.4179.100000115.3
246E43Very low43.7Very low202 Ų202136.9 Ų136.994%0.94481%0.811SS**  trans50.6116.2149.9-84.4176.7138.100123
247F35.9Very low43.5Very low191 Ų191137.7 Ų137.784%0.83881%0.81SS**  trans-61.7141.9168.9-97.9-114.9000113.9
248N44.9Very low43.3Very low160 Ų160138.1 Ų138.186%0.85681%0.807SS**  trans-158.387.5139.5-90.2-41.3000109.1
249F43.3Very low43.7Very low201 Ų201136.6 Ų136.688%0.88280%0.803SS**  trans-121.2110.6161.5-110.8-89.1000108.1
250T46.3Very low44Very low136 Ų136140.3 Ų140.383%0.83481%0.807SS**  trans-71.7141.1173.646.10000110.1
251S37.9Very low44.2Very low116 Ų116143.5 Ų143.581%0.81181%0.805SS**  trans-67.7133.8-167.348.50000114
252S44.6Very low44.2Very low119 Ų119145.8 Ų145.883%0.83280%0.803SS**  trans-148.790.4147.6-119.80000109.7M254S252-M254 PolarHBondContact O-N 3.47Å
253S43.3Very low44.2Very low101 Ų101149 Ų14971%0.70680%0.803SS**  trans25.186.9143.6-179.70000116.6T255S253-T255 PolarHBondContact O-N 3.19Å
254M43.4Very low44.4Very low166 Ų166149.5 Ų149.582%0.81880%0.795SS**  trans-83.496.6154.2-107.7-173.3168.300108.1S252 Y256S252-M254 PolarHBondContact O-N 3.47Å; M254-Y256 PolarHBondContact O-N 3.43Å
255T47.4Very low44.4Very low103 Ų103152.6 Ų152.663%0.63279%0.789SS**  trans-77.3110163.937.60000108.6S253 H257S253-T255 PolarHBondContact O-N 3.19Å; T255-H257 PolarHBondContact O-N 3.45Å; T255-H257 VanDerWaalsContact O-N 3.13Å
256Y47.4Very low44.5Very low190 Ų190161.1 Ų161.175%0.74580%0.798SS**  trans-66.9102168-77.3-93.4000109.1M254 H258M254-Y256 PolarHBondContact O-N 3.43Å; Y256-H258 PolarHBondContact O-N 3.47Å
257H44.6Very low44.8Very low165 Ų165159.1 Ų159.176%0.76479%0.786SS**  trans-80.997.2161.3-81.2-66.6000108.8T255 T259T255-H257 PolarHBondContact O-N 3.45Å; T255-H257 VanDerWaalsContact O-N 3.13Å; H257-T259 PolarHBondContact O-N 3.47Å
258H44.8Very low45.1Very low157 Ų157159 Ų15973%0.72779%0.789SS**  trans-72.2102.8157.3-77.811000108.2Y256 N260Y256-H258 PolarHBondContact O-N 3.47Å; H258-N260 PolarHBondContact O-N 3.06Å
259T49Very low45.3Very low127 Ų127161.6 Ų161.678%0.77979%0.788SS**  trans-84.2104.1160.149.70000107.5H257 D261H257-T259 PolarHBondContact O-N 3.47Å; T259-D261 PolarHBondContact O-N 3.18Å; T259-D261 VanDerWaalsContact O-N 3.11Å
260N50.3Low45.3Very low145 Ų145159.6 Ų159.678%0.77578%0.781SS**  trans-60109166.3-74.7-39.4000108.5H258 E262H258-N260 PolarHBondContact O-N 3.06Å; N260-E262 PolarHBondContact O-N 3.25Å
261D43.6Very low45.4Very low147 Ų147162.4 Ų162.479%0.78678%0.784SS**  trans-81.567.1172-141.9-17.9000108.4T259 R263T259-D261 PolarHBondContact O-N 3.18Å; T259-D261 VanDerWaalsContact O-N 3.11Å; D261-R263 VanDerWaalsContact C-N 3.34Å; D261-R263 PolarHBondContact O-N 3.28Å
262E44.7Very low45.7Very low162 Ų162164.5 Ų164.576%0.75778%0.781SS**  trans-8481168.9-90.6-84.7151.200108N260 S264N260-E262 PolarHBondContact O-N 3.25Å; E262-S264 PolarHBondContact O-N 3.46Å
263R44Very low45.7Very low234 Ų234167.9 Ų167.988%0.88378%0.784SS**  trans-68.274.5161.8-97.2-177.4174.1-168-0.2109.3D261 R265D261-R263 VanDerWaalsContact C-N 3.34Å; D261-R263 PolarHBondContact O-N 3.28Å; R263-R265 PolarHBondContact O-N 3.31Å
264S47Very low45.7Very low86 Ų86168.3 Ų168.360%0.60179%0.787SS**  trans-84108.1168.9-168.90000110.2E262 R266E262-S264 PolarHBondContact O-N 3.46Å; S264-R266 PolarHBondContact O-N 3.26Å
265R45.6Very low45.6Very low221 Ų221169.1 Ų169.183%0.83479%0.789SS**  trans36.985.4141.7-64.3175.4174.4169.7-1.6116.4R263 K267R263-R265 PolarHBondContact O-N 3.31Å; R265-K267 VanDerWaalsContact C-N 3.33Å; R265-K267 PolarHBondContact O-N 3.21Å
266R43.6Very low45.8Very low255 Ų255173.4 Ų173.496%0.96280%0.802SS**  trans-70.890.5157.7-166.3174.2-175.4-167.80.9109S264S264-R266 PolarHBondContact O-N 3.26Å
267K48.6Very low45.6Very low159 Ų159171.3 Ų171.369%0.69180%0.799SS**  trans-67.9133.8164.6-83.2179.9174.21790108.8R265 Y269R265-K267 VanDerWaalsContact C-N 3.33Å; R265-K267 PolarHBondContact O-N 3.21Å; K267-Y269 HydrophobicContact CB-CE2 4.45Å; K267-Y269 PolarHBondContact O-N 3.28Å
268Q43.5Very low46.1Very low189 Ų189172.8 Ų172.888%0.88381%0.806SS**  trans-59.8126.9165.8-70.7178.6-38.200109.2
269Y49.2Very low46.1Very low214 Ų214174 Ų17484%0.83981%0.809SS**  trans-129.9130.4149.5-78.5-74.5000107.9K267K267-Y269 HydrophobicContact CB-CE2 4.45Å; K267-Y269 PolarHBondContact O-N 3.28Å
270H42Very low46.2Very low160 Ų160172.9 Ų172.974%0.74181%0.807SS**  trans-91.3121.8-176.2-17574.2000106.3Q272H270-Q272 PolarHBondContact NE2-NE2 3.2Å
271E49Very low46.2Very low194 Ų194171.5 Ų171.591%0.90780%0.803SS**  trans-129.5122166.5-148.5163.3-156.600107.2
272Q44.1Very low46.5Very low160 Ų160172.9 Ų172.975%0.74880%0.802SS**  trans-83.7127.1-174.8-66.6171-4.800108H270H270-Q272 PolarHBondContact NE2-NE2 3.2Å
273E43.7Very low46.8Very low190 Ų190173.3 Ų173.389%0.88880%0.804SS**  trans-147.4156.1156.9-146.9169.7-170.300110.6
274S43.3Very low46.9Very low111 Ų111174.2 Ų174.278%0.77681%0.807SS**  trans-77.1152.1-137.1-31.70000115.8
275Q42.2Very low47.3Very low183 Ų183175.4 Ų175.486%0.85582%0.816SS**  trans-71.2134.5171-59.3-178.8-10.600111.4
276E52Low47.3Very low193 Ų193174.3 Ų174.390%0.90282%0.82SS**  trans-139.5130.1145.5-78.5-166.5160.300110.2
277E43.2Very low47.9Very low145 Ų145167.8 Ų167.868%0.67881%0.813SS**  trans-79.7138.3-172.7-56.3-174.9123.300112.4
278H53.8Low48Very low197 Ų197169.7 Ų169.791%0.91282%0.822SS**  trans-145.4112.4146.1-78.2-61.9000111.8
279K45.7Very low48.5Very low182 Ų182169.1 Ų169.179%0.79182%0.816SS**  trans-84.2134.8169.4-68.3164.1178.3153.70109.6
280S51.5Low48.5Very low104 Ų104166.9 Ų166.973%0.72781%0.813SS**  trans-168.7112138.559.80000112.1
281T50.3Low49Very low116 Ų116169 Ų16971%0.71282%0.82SS**  78.3111.1115.261.90000119
282K48.9Very low49.1Very low175 Ų175167 Ų16776%0.76182%0.816SS**  48130.9123.1-60.4174.6174.3171.40117.1
283H52.3Low49.3Very low172 Ų172164.9 Ų164.980%0.79682%0.819SS**  -169.6142.764.8-81.4-85.5000110.4
284R45Very low49.7Very low252 Ų252164.9 Ų164.995%0.95182%0.818SS**  trans-107.8119.6168.8-146.5178.3-175.8175.70.4106.2
285S56.7Low50.5Low112 Ų112164.2 Ų164.278%0.78381%0.814SS**  trans-132.6113.8175.850.30000111.2
286H44.7Very low50.9Low198 Ų198165 Ų16592%0.91781%0.814SS**  trans-70.2137163-82.4-61.8000110.3
287S56.9Low51.1Low118 Ų118163.4 Ų163.483%0.82581%0.807SS**  trans-130.3117.3162.6177.40000109.5
288K49.2Very low51.6Low199 Ų199166.6 Ų166.687%0.86581%0.813SS**  trans-108.3130.2162.1-76.5-179.4177.41750106.8
289K54.5Low52Low177 Ų177165 Ų16577%0.7780%0.803SS**  trans156.8133.3158.7-92.1168178.7-179.60105.5
290H50.6Low52.8Low166 Ų166163.9 Ų163.977%0.76980%0.8SS**  cis-157.5142.249.2-80.5-87.2000110.7
291K51.7Low53.6Low204 Ų204167.3 Ų167.389%0.88780%0.804SS**  trans-81.4133153.4-74.1178174.6178.30107.2
292N50.8Low54.2Low154 Ų154170.4 Ų170.482%0.82481%0.811SS**  trans-133.6109.6162.2-119.33.8000108.7
293S48Very low55Low115 Ų115170.8 Ų170.880%0.80482%0.815SS**  trans-88.8122.2164.647.90000107.6
294H52.1Low55.3Low189 Ų189175.2 Ų175.288%0.87584%0.835SS**  trans-115129.5167.5-118.8-27.1000112
295S60Low55.8Low98 Ų98171.4 Ų171.469%0.68583%0.829SS**  trans-67.2141.3-179.7164.60000113.6
296K51.5Low55.8Low198 Ų198174.5 Ų174.586%0.86183%0.832SS**  trans5.8125.3143.2-61.2172.6178.9173.50117.6
297E56.6Low56.4Low161 Ų161173.2 Ų173.275%0.75283%0.827SS**  trans-135.4112.7149.9-155174.416100109.1K299E297-K299 WeakPolarHBondContact OE1-CE 3.47Å; E297-K299 IonicContact OE1-NZ 3.58Å
298R52.4Low56.3Low211 Ų211176.4 Ų176.480%0.79683%0.827SS**  trans-89.3122.6167.2-75.3172.378.31651.6106.6
299K62.7Low56.8Low165 Ų165175 Ų17572%0.71783%0.825SS**  trans-109.8104.1162.1-80.1-178.1177.7171.60108.9E297E297-K299 WeakPolarHBondContact OE1-CE 3.47Å; E297-K299 IonicContact OE1-NZ 3.58Å
300H63.5Low56.9Low157 Ų157174.9 Ų174.973%0.72783%0.828SS**  trans-86.5123154.2-84.1-87000106.7
301H66.8Low57.4Low176 Ų176175.5 Ų175.582%0.81583%0.833SS**  trans-102.9119.4161.9-97.1-56.7000108.3
302H63.7Low57.8Low182 Ų182173.3 Ų173.384%0.84383%0.828SS**  trans-133.6117161.2-134.663.5000105.1
303H64.5Low58.4Low183 Ų183174.9 Ų174.985%0.84783%0.829SS**  trans-150.5121.6165.2-11148.1000108.4
304H59.5Low59.4Low264 Ų264180.4 Ų180.4100%1.22283%0.831SS**  trans67.60175.7-76.92.5000118.6

Retrieved 304 of 304 residues in 68.6 ms (Link to these results)