A0A087Y4Y5_POEFO Loading...

Evolutionarily conserved signaling intermediate in Toll pathway, mitochondrial

AlphaFold DB , UniProt , Accession A0A087Y4Y5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 451 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M32.4Very low30.1Very low238 Ų238160.8 Ų160.8100%1.17284%0.84SS**  0125.60-69.2-169.1-148.700108.6
2K34.4Very low29.9Very low202 Ų202167.3 Ų167.388%0.87885%0.845SS**  trans52.7106.1161.4-53.9-178.9-178.3-179.20116.5
3C25.3Very low29.7Very low120 Ų120163.7 Ų163.781%0.81185%0.845SS**  cis66105.934.3-137.30000115.7
4S32Very low29.3Very low114 Ų114156.4 Ų156.480%0.79783%0.829SS**  trans176.5100.5153.643.40000108.1
5R32Very low29.2Very low236 Ų236161.9 Ų161.989%0.89183%0.834SS**  48.5115.669.2-81.5-167.9173.5-170.7-0.6115.4
6C28.6Very low29Very low125 Ų125159.8 Ų159.885%0.84583%0.831SS**  trans-176.5104.7135.7-94.30000107.8
7L31.1Very low28.9Very low147 Ų147157.5 Ų157.577%0.7783%0.825SS**  74.2105.681.1-82.1171.6000115.7
8L29.7Very low28.8Very low135 Ų135156.7 Ų156.771%0.70783%0.828SS**  trans33.3128.7132.3-79.9160.9000120L10L8-L10 HydrophobicContact CD2-CD1 4.22Å
9Q27.2Very low28.9Very low182 Ų182157.4 Ų157.485%0.8583%0.826SS**  trans-153.4100.6132.3-111.317214.100112.1
10L29.1Very low28.7Very low145 Ų145162.1 Ų162.176%0.75983%0.832SS**  trans-68127.8152.4-98.9105.6000108.2L8L8-L10 HydrophobicContact CD2-CD1 4.22Å
11V29.4Very low28.5Very low125 Ų125157.8 Ų157.876%0.75883%0.828SS**  trans-108.198.7163.4177.80000108.4
12R27.3Very low28.3Very low238 Ų238151.8 Ų151.890%0.89881%0.809SS**  trans-72.6127.2151.4-85.5177.5162.7174.9-4.4107.4
13S27.8Very low27.9Very low121 Ų121149.7 Ų149.785%0.84681%0.807SS**  trans-114.6110.9158.2-168.30000108
14G24Very low28.1Very low61 Ų61151 Ų15163%0.62981%0.805SS**  trans-107.5143166.200000109.7
15R27.3Very low27.8Very low239 Ų239154.1 Ų154.190%0.90281%0.812SS**  trans166.3133.8155.9-95.1168.9-176.1-157.51.9105.5
16T26.6Very low27.5Very low128 Ų128147.5 Ų147.579%0.78580%0.802SS**  cis-167.8144.92.860000106.7
17V27.2Very low28.4Very low121 Ų121147 Ų14773%0.73380%0.797SS**  trans-71.9139.3169.5168.90000110Q19V17-Q19 HydrophobicContact CG1-CG 4.1Å
18V27.9Very low28.2Very low143 Ų143145.3 Ų145.387%0.86780%0.798SS**  trans-115.9108.7153172.70000107.5
19Q29.4Very low28.1Very low171 Ų171144.5 Ų144.580%0.79980%0.803SS**  trans-74.7140.6163.9-88.4171.4-32.600109.7V17V17-Q19 HydrophobicContact CG1-CG 4.1Å
20R26.2Very low27.9Very low250 Ų250139.2 Ų139.294%0.94380%0.797SS**  trans-125.9118.1136.8-97.1-175175.3177.9-0.9107.3
21G24.7Very low27.9Very low72 Ų72141.2 Ų141.274%0.74280%0.803SS**  trans-92.2170.2-178.500000114
22S27.3Very low27.8Very low112 Ų112143.3 Ų143.378%0.78381%0.809SS**  trans-16398.5143.227.20000104.9
23L26.7Very low27.8Very low158 Ų158138.5 Ų138.583%0.82780%0.799SS**  5591.8101.3-64.2176.5000111.5
24L28.2Very low27.8Very low149 Ų149138.4 Ų138.478%0.7879%0.794SS**  65.811591.7-76.7176.3000113.6
25L26.4Very low28Very low178 Ų178144.1 Ų144.193%0.93280%0.804SS**  trans-163.8121.7132.6-97.1156.8000108.7
26S25.3Very low28Very low97 Ų97140.6 Ų140.668%0.67880%0.797SS**  trans-106.4-168168.5480000108.4
27P48.8Very low28.1Very low114 Ų114140.9 Ų140.974%0.7479%0.794SS**  -124.1-179.9-67.836.1-20.3000111.4
28S25.6Very low28.2Very low113 Ų113144.4 Ų144.479%0.7980%0.802SS**  trans147.2149.4154.153.80000109.2
29S27.4Very low28.8Very low118 Ų118146.4 Ų146.483%0.82580%0.802SS**  cis-170.2144.1-11.4-93.40000105.3
30G24.2Very low28.8Very low70 Ų70146.7 Ų146.772%0.72280%0.804SS**  trans72.3116.1149.800000118.7
31Q28.2Very low29.2Very low187 Ų187142.8 Ų142.887%0.87480%0.796SS**  179126.395.1-97.1175.6-16.200110.3
32L27.8Very low29.4Very low169 Ų169145.3 Ų145.389%0.88580%0.797SS**  trans-64.1122.3163.3-78.6153.9000109.2
33I26.6Very low29.6Very low137 Ų137146 Ų14670%0.70379%0.791SS**  trans-130.5104.3155.7-62.3-178.8000107.3Q35I33-Q35 HydrophobicContact CG2-CG 4.16Å
34V28.2Very low29.7Very low120 Ų120148.9 Ų148.973%0.72779%0.791SS**  trans-72.4117.8161.9170.50000107.1
35Q27.5Very low29.7Very low181 Ų181148.3 Ų148.385%0.84678%0.784SS**  trans-129.2110.1158-85.1-170.3-24.700109I33I33-Q35 HydrophobicContact CG2-CG 4.16Å
36H28Very low29.9Very low164 Ų164148.6 Ų148.676%0.75978%0.778SS**  trans-72.3143.9168.2-117.9-62.9000110.2
37N28Very low30Very low135 Ų135154.1 Ų154.172%0.72278%0.784SS**  trans67.6109.2159-78.4-7.8000118.2
38Q29.7Very low29Very low194 Ų194154.3 Ų154.391%0.90779%0.787SS**  -158.2129.396.9-101.7171.62.700110.6Q40Q38-Q40 PolarHBondContact O-N 3.28Å
39Q39.9Very low29.3Very low185 Ų185153.4 Ų153.486%0.86478%0.781SS**  trans-54.8114.6173.7-68.4163.6-41.200110.5
40Q31.3Very low29.5Very low178 Ų178153.9 Ų153.983%0.83278%0.781SS**  trans-132.683.6145.9-78-171.9-19.400107Q38 V42Q38-Q40 PolarHBondContact O-N 3.28Å; Q40-V42 VanDerWaalsContact C-N 3.27Å; Q40-V42 PolarHBondContact O-N 3.38Å
41Q32.7Very low29.7Very low168 Ų168156.7 Ų156.779%0.78578%0.784SS**  trans-55.299.6156.7-80.4178.7-2300106.9L43Q41-L43 PolarHBondContact O-N 3.28Å
42V29.9Very low29.9Very low125 Ų125154.6 Ų154.676%0.75878%0.778SS**  trans-73.881.1158.5-176.80000105.2Q40 R44Q40-V42 VanDerWaalsContact C-N 3.27Å; Q40-V42 PolarHBondContact O-N 3.38Å; V42-R44 VanDerWaalsContact C-N 3.34Å; V42-R44 PolarHBondContact O-N 2.76Å
43L30.4Very low30.1Very low125 Ų125151.1 Ų151.165%0.65477%0.773SS**  trans-51.1107.6157.4-77.4163.1000105.4Q41 Q45Q41-L43 PolarHBondContact O-N 3.28Å; L43-Q45 HydrophobicContact CB-CG 4.49Å; L43-Q45 PolarHBondContact O-N 2.74Å
44R30.8Very low30.2Very low220 Ų220153.2 Ų153.283%0.8378%0.778SS**  trans-64.985161.6-82.6-171.2178.6-163.11.7106.1V42 F46V42-R44 VanDerWaalsContact C-N 3.34Å; V42-R44 PolarHBondContact O-N 2.76Å; R44-F46 PolarHBondContact O-N 2.89Å
45Q26.9Very low30.4Very low136 Ų136152.6 Ų152.664%0.63678%0.779SS**  trans-60.8105.5164.4-74.2179.8-15.600106.5L43 R47L43-Q45 HydrophobicContact CB-CG 4.49Å; L43-Q45 PolarHBondContact O-N 2.74Å; Q45-R47 HydrophobicContact CB-CG 4.47Å; Q45-R47 PolarHBondContact O-N 2.74Å
46F30.1Very low30.5Very low185 Ų185152.2 Ų152.281%0.81178%0.777SS**  trans-64.694.9158.8-70-80.2000106.7R44 C48R44-F46 PolarHBondContact O-N 2.89Å; F46-C48 VanDerWaalsContact C-N 3.3Å; F46-C48 PolarHBondContact O-N 3.36Å
47R27.5Very low30.4Very low212 Ų212150.7 Ų150.780%0.878%0.781SS**  trans-72.992168.7-69.7-170.5178.7-169.10.3107.6Q45 S49Q45-R47 HydrophobicContact CB-CG 4.47Å; Q45-R47 PolarHBondContact O-N 2.74Å; R47-S49 PolarHBondContact O-N 2.99Å; R47-S49 VanDerWaalsContact O-N 3.13Å
48C28.2Very low30.5Very low119 Ų119151.2 Ų151.280%0.80478%0.779SS**  trans-68100.8157.1-67.90000107F46F46-C48 VanDerWaalsContact C-N 3.3Å; F46-C48 PolarHBondContact O-N 3.36Å
49S33Very low30.5Very low93 Ų93147.5 Ų147.565%0.6577%0.772SS**  trans-59136.1165.634.90000109.2R47 V51R47-S49 PolarHBondContact O-N 2.99Å; R47-S49 VanDerWaalsContact O-N 3.13Å; S49-V51 PolarHBondContact O-N 3.1Å
50P31.3Very low30Very low128 Ų128144.6 Ų144.683%0.83177%0.767SS**  trans-69.2105.617429.1-30.5000107L52P50-L52 VanDerWaalsContact C-N 3.3Å; P50-L52 PolarHBondContact O-N 3.34Å
51V28.3Very low29.9Very low129 Ų129146.1 Ų146.178%0.78277%0.765SS**  trans-69.8100.2164.3176.10000105.5S49 A53S49-V51 PolarHBondContact O-N 3.1Å; V51-A53 PolarHBondContact O-N 3.49Å
52L31.5Very low29.8Very low143 Ų143146.9 Ų146.975%0.74977%0.766SS**  trans-46113.8160.1-176.375.2000107.4P50 K54P50-L52 VanDerWaalsContact C-N 3.3Å; P50-L52 PolarHBondContact O-N 3.34Å; L52-K54 VanDerWaalsContact C-N 3.31Å; L52-K54 PolarHBondContact O-N 3.15Å
53A32.7Very low29.9Very low96 Ų96147.4 Ų147.479%0.79377%0.769SS**  trans-57.794.3175.200000109.1V51 S55V51-A53 PolarHBondContact O-N 3.49Å; A53-S55 PolarHBondContact O-N 3.4Å
54K28.5Very low30Very low182 Ų182148.6 Ų148.679%0.79178%0.776SS**  trans-79.9111.6159-88-177.2174.4-1800106.4L52L52-K54 VanDerWaalsContact C-N 3.31Å; L52-K54 PolarHBondContact O-N 3.15Å
55S31.7Very low29.9Very low107 Ų107145.3 Ų145.375%0.74878%0.775SS**  trans-2.8134.4152.253.80000115.8A53A53-S55 PolarHBondContact O-N 3.4Å
56Q30.6Very low30.4Very low173 Ų173146.1 Ų146.181%0.80878%0.784SS**  trans-24.4138.9163.4-77170.9-42.200113.3E58Q56-E58 PolarHBondContact O-N 3.22Å
57P25.4Very low30.5Very low131 Ų131140 Ų14085%0.85177%0.772SS**  trans-64.1104.6164.225-25.3000107.6
58E30.7Very low31.2Very low146 Ų146136 Ų13668%0.68277%0.772SS**  trans-53.2143167.7-75.2-165.4159.500109.3Q56 V60Q56-E58 PolarHBondContact O-N 3.22Å; E58-V60 PolarHBondContact O-N 3.14Å
59P30.1Very low31.4Very low116 Ų116139.8 Ų139.875%0.75378%0.775SS**  trans-58127.8170.525.4-31.6000108.3R61P59-R61 PolarHBondContact O-N 3.17Å
60V29.3Very low31.3Very low124 Ų124144.8 Ų144.875%0.75279%0.785SS**  trans-49.5106.4178.5-179.70000109E58 F62E58-V60 PolarHBondContact O-N 3.14Å; V60-F62 PolarHBondContact O-N 3.21Å
61R27.3Very low31.6Very low211 Ų211145.5 Ų145.580%0.79679%0.787SS**  trans-66.3118.3168.2-75.1-176.1178.1175.41.8107.7P59 V63P59-R61 PolarHBondContact O-N 3.17Å; R61-V63 PolarHBondContact O-N 3.03Å
62F32.3Very low31.9Very low184 Ų184148.7 Ų148.781%0.80779%0.79SS**  trans-61.9120.8169.9-68.5-88.3000108.9V60 N64V60-F62 PolarHBondContact O-N 3.21Å; F62-N64 PolarHBondContact O-N 2.79Å
63V30.3Very low32.3Very low136 Ų136147.1 Ų147.182%0.82479%0.791SS**  trans-70.1111162.6176.10000106.2R61 D65R61-V63 PolarHBondContact O-N 3.03Å; V63-D65 PolarHBondContact O-N 3.25Å
64N32.5Very low33Very low149 Ų149150.7 Ų150.780%0.79780%0.796SS**  trans-68.298.3166.6-73.7-26.1000107.7F62 D66F62-N64 PolarHBondContact O-N 2.79Å; N64-D66 PolarHBondContact O-N 2.89Å
65D30.3Very low34.2Very low151 Ų151145.1 Ų145.181%0.80778%0.777SS**  trans-77.795.3165.7-166.936.3000107.6V63 G67V63-D65 PolarHBondContact O-N 3.25Å; D65-G67 PolarHBondContact O-N 2.92Å
66D37Very low35.9Very low153 Ų153143.8 Ų143.882%0.81876%0.764SS**  trans-77.374.9179.7-149.94.7000109.6N64N64-D66 PolarHBondContact O-N 2.89Å
67G31.8Very low37.7Very low56 Ų56137 Ų13758%0.57773%0.733SS**  trans-106.480176.900000111.2D65 K69D65-G67 PolarHBondContact O-N 2.92Å; G67-K69 PolarHBondContact O-N 3.21Å
68T42Very low39.7Very low128 Ų128134.4 Ų134.479%0.78571%0.709SS**  trans-43.598.7173.7370000114.4
69K32.4Very low41.7Very low200 Ų200130 Ų13087%0.8769%0.691SS**  trans-142.789.9158.3-69-169-178.2171.50113.1G67G67-K69 PolarHBondContact O-N 3.21Å
70K30.9Very low44.1Very low198 Ų198126.4 Ų126.486%0.86167%0.665SS**  trans43.694.4146-73.1179.3175.3178.40119.5
71T38.4Very low46.4Very low142 Ų142120.7 Ų120.787%0.87163%0.63SS**  37.390.9126.940000119.2
72K35Very low49Very low197 Ų197116 Ų11686%0.85762%0.617SS**  -138.9126129.6-71.4-170.6178.91790107L74K72-L74 PolarHBondContact O-N 3.33Å; K72-L74 VanDerWaalsContact O-N 3.07Å
73S39.6Very low51.1Low110 Ų110112.1 Ų112.177%0.76960%0.601SS**  trans-47.2106.9-171.154.40000113.4V75S73-V75 VanDerWaalsContact C-N 3.29Å; S73-V75 PolarHBondContact O-N 3.08Å; S73-V75 VanDerWaalsContact O-N 3.1Å
74L47.4Very low53.2Low171 Ų171107.8 Ų107.890%0.89558%0.575SS**  trans-76.190.5161.4-67.2169.6000105.8K72 T76K72-L74 PolarHBondContact O-N 3.33Å; K72-L74 VanDerWaalsContact O-N 3.07Å; L74-T76 PolarHBondContact O-N 3.35Å; L74-T76 VanDerWaalsContact O-N 3.15Å
75V54Low55.1Low64 Ų64101.2 Ų101.239%0.38854%0.542SS..  trans-58.7118.7163.41780000105.3S73 Q77 D79 L80S73-V75 VanDerWaalsContact C-N 3.29Å; S73-V75 PolarHBondContact O-N 3.08Å; S73-V75 VanDerWaalsContact O-N 3.1Å; V75-Q77 PolarHBondContact O-N 2.99Å; V75-D79 HydrophobicContact CG1-CB 3.88Å; V75-L80 HydrophobicContact CG1-CD2 3.91Å; V75-L80 HydrophobicContact CG1-CG 4.01Å
76T67Low57.1Low79 Ų79102.1 Ų102.149%0.48554%0.538SS..  trans-58.3130.7176.2-21.90000106L74 E78 D79L74-T76 PolarHBondContact O-N 3.35Å; L74-T76 VanDerWaalsContact O-N 3.15Å; T76-E78 PolarHBondContact O-N 2.91Å; T76-D79 WeakPolarHBondContact CB-OD2 3.35Å; T76-D79 PolarHBondContact N-OD2 3.39Å; T76-D79 VanDerWaalsContact N-OD2 3.13Å; T76-D79 WeakPolarHBondContact O-CA 3.42Å; T76-D79 WeakPolarHBondContact O-CB 3.21Å; T76-D79 PolarHBondContact O-N 3.03Å; T76-D79 PolarHBondContact OG1-OD2 3.02Å
77Q68.2Low58.6Low30 Ų30103.9 Ų103.914%0.1454%0.541CS..Hα-helixtrans-63.5-20.5-172.8-67.9168.4-1800112.3V75 L80 F81 G110 E113V75-Q77 PolarHBondContact O-N 2.99Å; Q77-L80 WeakPolarHBondContact O-CB 3.24Å; Q77-L80 PolarHBondContact O-N 2.9Å; Q77-F81 WeakPolarHBondContact O-CD2 3.44Å; Q77-G110 PolarHBondContact NE2-O 3.32Å; Q77-E113 PolarHBondContact OE1-O 3.09Å
78E66.6Low60.7Low78 Ų78103.9 Ų103.936%0.36453%0.533SS..Hα-helixtrans-64.3-39.4168.4-59-170148.800111.9T76 L80 F81 E82 A117 K120T76-E78 PolarHBondContact O-N 2.91Å; E78-L80 PolarHBondContact O-N 3.15Å; E78-F81 PolarHBondContact O-N 2.75Å; E78-F81 VanDerWaalsContact O-N 3.08Å; E78-E82 PolarHBondContact O-N 2.72Å; E78-A117 HydrophobicContact CG-CB 4.18Å; E78-K120 IonicContact OE1-NZ 3.74Å
79D74.3Confident62.7Low54 Ų54103.1 Ų103.129%0.28952%0.518SS..Hα-helixtrans-62.6-27.4176.8-52-25.1000111.8V75 T76 E82 Q83V75-D79 HydrophobicContact CG1-CB 3.88Å; T76-D79 WeakPolarHBondContact CB-OD2 3.35Å; T76-D79 PolarHBondContact N-OD2 3.39Å; T76-D79 VanDerWaalsContact N-OD2 3.13Å; T76-D79 WeakPolarHBondContact O-CA 3.42Å; T76-D79 WeakPolarHBondContact O-CB 3.21Å; T76-D79 PolarHBondContact O-N 3.03Å; T76-D79 PolarHBondContact OG1-OD2 3.02Å; D79-E82 PolarHBondContact O-N 3.05Å; D79-Q83 WeakPolarHBondContact O-CB 3.19Å; D79-Q83 WeakPolarHBondContact O-CG 3.32Å; D79-Q83 PolarHBondContact O-N 3.42Å
80L78.5Confident65.5Low40 Ų4096.9 Ų96.921%0.20950%0.497CS..Hα-helixtrans-67.3-39.6175.8-68.6174.7000111.6V75 Q77 E78 E82 V84 F101V75-L80 HydrophobicContact CG1-CD2 3.91Å; V75-L80 HydrophobicContact CG1-CG 4.01Å; Q77-L80 WeakPolarHBondContact O-CB 3.24Å; Q77-L80 PolarHBondContact O-N 2.9Å; E78-L80 PolarHBondContact O-N 3.15Å; L80-E82 VanDerWaalsContact C-N 3.34Å; L80-V84 WeakPolarHBondContact O-CG2 3.43Å; L80-V84 PolarHBondContact O-N 2.94Å; L80-F101 HydrophobicContact CD1-CD2 4.49Å
81F79.3Confident68.3Low3 Ų392.2 Ų92.21%0.01348%0.477CS..Hα-helixtrans-66.3-40.2175.1-76-85.5000110.6Q77 E78 A85 F94 V97 F114 A117 A118 K121 F125Q77-F81 WeakPolarHBondContact O-CD2 3.44Å; E78-F81 PolarHBondContact O-N 2.75Å; E78-F81 VanDerWaalsContact O-N 3.08Å; F81-A85 WeakPolarHBondContact O-CB 3.47Å; F81-A85 PolarHBondContact O-N 2.94Å; F81-F94 HydrophobicContact CD1-CD2 4.23Å; F81-F94 HydrophobicContact CD1-CE2 4.16Å; F81-F94 AromaticContact CE1-CD2 3.76Å; F81-F94 HydrophobicContact CE1-CD2 3.76Å; F81-F94 AromaticContact CE1-CE2 3.44Å; F81-F94 HydrophobicContact CE1-CE2 3.44Å; F81-F94 VanDerWaalsContact CE1-CE2 3.44Å; F81-F94 HydrophobicContact CE1-CZ 4.04Å; F81-F94 HydrophobicContact CZ-CE2 4.27Å; F81-V97 HydrophobicContact CD1-CB 4.33Å; F81-V97 HydrophobicContact CD1-CG1 3.88Å; F81-V97 HydrophobicContact CD1-CG2 4.25Å; F81-V97 HydrophobicContact CD2-CG1 4.27Å; F81-V97 HydrophobicContact CE1-CB 4.11Å; F81-V97 HydrophobicContact CE1-CG1 3.64Å; F81-V97 HydrophobicContact CE2-CG1 4.06Å; F81-V97 HydrophobicContact CG-CG1 4.18Å; F81-V97 HydrophobicContact CZ-CG1 3.73Å; F81-F114 HydrophobicContact CE2-CD2 4.16Å; F81-F114 AromaticContact CE2-CE2 3.67Å; F81-F114 HydrophobicContact CE2-CE2 3.67Å; F81-F114 HydrophobicContact CE2-CZ 4.3Å; F81-F114 AromaticContact CZ-CE2 3.81Å; F81-F114 HydrophobicContact CZ-CE2 3.81Å; F81-F114 AromaticContact CZ-CZ 3.98Å; F81-F114 HydrophobicContact CZ-CZ 3.98Å; F81-A117 HydrophobicContact CE2-CB 4.43Å; F81-A118 HydrophobicContact CE1-CB 4.44Å; F81-A118 HydrophobicContact CE2-CB 4.24Å; F81-A118 HydrophobicContact CZ-CB 3.6Å; F81-K121 HydrophobicContact CB-CG 4.48Å; F81-K121 HydrophobicContact CD1-CB 4.37Å; F81-K121 HydrophobicContact CG-CG 4.35Å; F81-F125 HydrophobicContact CD1-CE2 4.17Å; F81-F125 HydrophobicContact CD1-CZ 4.21Å
82E81.4Confident70.7Confident112 Ų11288.7 Ų88.752%0.52346%0.462SS..Hα-helixtrans-71.2-38.6178.3-65.1-174.9177.400113E78 D79 L80 K86E78-E82 PolarHBondContact O-N 2.72Å; D79-E82 PolarHBondContact O-N 3.05Å; L80-E82 VanDerWaalsContact C-N 3.34Å; E82-K86 WeakPolarHBondContact O-CG 3.3Å; E82-K86 PolarHBondContact O-N 2.92Å
83Q77.1Confident73.3Confident104 Ų10480 Ų8049%0.48643%0.426SS..Hα-helixtrans-66.1-40.2-180-78.2171.22600113D79D79-Q83 WeakPolarHBondContact O-CB 3.19Å; D79-Q83 WeakPolarHBondContact O-CG 3.32Å; D79-Q83 PolarHBondContact O-N 3.42Å
84V73.7Confident75.8Confident45 Ų4574.8 Ų74.827%0.27339%0.389SS..Hα-helixtrans-84.1-30.2-178.61790000111.4L80 Q96 V97L80-V84 WeakPolarHBondContact O-CG2 3.43Å; L80-V84 PolarHBondContact O-N 2.94Å; V84-Q96 HydrophobicContact CG1-CG 4.45Å; V84-V97 HydrophobicContact CB-CG2 3.61Å; V84-V97 HydrophobicContact CG1-CG2 3.68Å; V84-V97 HydrophobicContact CG2-CG2 4.02Å
85A72.3Confident77.9Confident11 Ų1167.4 Ų67.49%0.09135%0.351CS..THydrogen-bonded Turntrans-92.113.2-177.800000114.7F81 E87 K89 F125F81-A85 WeakPolarHBondContact O-CB 3.47Å; F81-A85 PolarHBondContact O-N 2.94Å; A85-E87 PolarHBondContact O-N 2.83Å; A85-E87 VanDerWaalsContact O-N 3.11Å; A85-K89 HydrophobicContact CB-CG 4.13Å; A85-F125 HydrophobicContact CB-CE1 3.54Å; A85-F125 HydrophobicContact CB-CZ 3.5Å; A85-F125 VanDerWaalsContact CB-CZ 3.5Å
86K72.8Confident79.6Confident169 Ų16969.3 Ų69.374%0.73536%0.355SS*.THydrogen-bonded Turntrans-54.8-29.5178.4-70.3-172175.3175.20113.5E82E82-K86 WeakPolarHBondContact O-CG 3.3Å; E82-K86 PolarHBondContact O-N 2.92Å
87E67.4Low80.7Confident190 Ų19065.7 Ų65.789%0.88833%0.333SS*.SBendtrans-100.4-38.1-172.1-63.5178.5-179.800113.1A85A85-E87 PolarHBondContact O-N 2.83Å; A85-E87 VanDerWaalsContact O-N 3.11Å
88S77Confident81.7Confident56 Ų5664.5 Ų64.539%0.39233%0.328SS..  trans-162.2141.2171.564.60000111.9T90 T93S88-T90 PolarHBondContact O-N 3.19Å; S88-T90 PolarHBondContact OG-OG1 3.48Å; S88-T93 VanDerWaalsContact O-CG2 3.25Å; S88-T93 WeakPolarHBondContact O-CG2 3.28Å; S88-T93 PolarHBondContact O-OG1 3.48Å
89K83.9Confident82.8Confident112 Ų11264.1 Ų64.149%0.48733%0.328SS..  trans-91.276.5173.7-65.2-175-177-174.80110.2A85 E124 F125A85-K89 HydrophobicContact CB-CG 4.13Å; K89-E124 HydrophobicContact CD-CB 4.28Å; K89-E124 IonicContact NZ-OE2 2.78Å; K89-E124 PolarHBondContact NZ-OE2 2.99Å; K89-F125 HydrophobicContact CB-CD1 3.85Å; K89-F125 HydrophobicContact CB-CE1 4.04Å; K89-F125 HydrophobicContact CB-CG 4.26Å; K89-F125 HydrophobicContact CG-CD1 4.38Å; K89-F125 HydrophobicContact CG-CE1 4.1Å; K89-F125 HydrophobicContact CG-CZ 4.26Å
90T90.1Very high83.5Confident70 Ų7064.1 Ų64.143%0.42933%0.33SS..  trans-111.4155.5-178.2-49.90000111.1S88 A92 T93 F94S88-T90 PolarHBondContact O-N 3.19Å; S88-T90 PolarHBondContact OG-OG1 3.48Å; T90-A92 PolarHBondContact O-N 2.69Å; T90-T93 PolarHBondContact N-OG1 2.9Å; T90-T93 PolarHBondContact O-N 3.08Å; T90-T93 PolarHBondContact O-OG1 2.95Å; T90-F94 PolarHBondContact O-N 3.15Å; T90-F94 VanDerWaalsContact O-N 3.08Å
91K89.5Confident83.9Confident99 Ų9963.1 Ų63.143%0.4332%0.324SS..Hα-helixtrans-45.2-40169.9173.1175.7166.6172.10113.8F94 N95 V127 D130K91-F94 PolarHBondContact O-N 3.3Å; K91-N95 PolarHBondContact O-N 3.02Å; K91-N95 VanDerWaalsContact O-N 3.09Å; K91-N95 PolarHBondContact O-ND2 3.35Å; K91-V127 HydrophobicContact CB-CG1 3.74Å; K91-V127 HydrophobicContact CG-CG1 3.94Å; K91-D130 WeakPolarHBondContact CD-OD2 3.27Å; K91-D130 WeakPolarHBondContact CE-OD2 3.37Å; K91-D130 IonicContact NZ-OD2 2.61Å; K91-D130 PolarHBondContact NZ-OD2 3.07Å
92A89.1Confident84.3Confident68 Ų6865.1 Ų65.156%0.56234%0.337SS*.Hα-helixtrans-63.5-44.6178.200000112T90 F94 N95 Q96T90-A92 PolarHBondContact O-N 2.69Å; A92-F94 PolarHBondContact O-N 3.2Å; A92-N95 PolarHBondContact O-N 3.21Å; A92-Q96 WeakPolarHBondContact O-CB 3.35Å; A92-Q96 PolarHBondContact O-N 3.29Å
93T90.6Very high84.5Confident16 Ų1667.7 Ų67.710%0.09835%0.346CS..Hα-helixtrans-64.3-39.4177.664.80000111.9S88 T90 N95 Q96 V97 F125S88-T93 VanDerWaalsContact O-CG2 3.25Å; S88-T93 WeakPolarHBondContact O-CG2 3.28Å; S88-T93 PolarHBondContact O-OG1 3.48Å; T90-T93 PolarHBondContact N-OG1 2.9Å; T90-T93 PolarHBondContact O-N 3.08Å; T90-T93 PolarHBondContact O-OG1 2.95Å; T93-N95 PolarHBondContact O-N 3.13Å; T93-Q96 WeakPolarHBondContact O-CB 3.25Å; T93-Q96 PolarHBondContact O-N 3.35Å; T93-V97 WeakPolarHBondContact O-CG2 3.41Å; T93-V97 PolarHBondContact O-N 2.96Å; T93-F125 WeakPolarHBondContact OG1-CE1 3.47Å
94F91.4Very high84.6Confident0 Ų068.2 Ų68.20%036%0.357CS..Hα-helixtrans-62.7-44.6175.5-167-89.5000111.9F81 T90 K91 A92 Q96 V97 I98 A118 M122 F125 V127 V133F81-F94 HydrophobicContact CD1-CD2 4.23Å; F81-F94 HydrophobicContact CD1-CE2 4.16Å; F81-F94 AromaticContact CE1-CD2 3.76Å; F81-F94 HydrophobicContact CE1-CD2 3.76Å; F81-F94 AromaticContact CE1-CE2 3.44Å; F81-F94 HydrophobicContact CE1-CE2 3.44Å; F81-F94 VanDerWaalsContact CE1-CE2 3.44Å; F81-F94 HydrophobicContact CE1-CZ 4.04Å; F81-F94 HydrophobicContact CZ-CE2 4.27Å; T90-F94 PolarHBondContact O-N 3.15Å; T90-F94 VanDerWaalsContact O-N 3.08Å; K91-F94 PolarHBondContact O-N 3.3Å; A92-F94 PolarHBondContact O-N 3.2Å; F94-Q96 VanDerWaalsContact C-N 3.3Å; F94-Q96 PolarHBondContact O-N 3.21Å; F94-V97 PolarHBondContact O-N 3.47Å; F94-I98 HydrophobicContact CD1-CD1 3.9Å; F94-I98 HydrophobicContact CE1-CD1 3.72Å; F94-I98 HydrophobicContact CE1-CG1 4.38Å; F94-I98 PolarHBondContact O-N 3.01Å; F94-A118 HydrophobicContact CZ-CB 4.01Å; F94-M122 HydrophobicContact CE1-CG 4.25Å; F94-M122 HydrophobicContact CE2-CG 4.1Å; F94-M122 HydrophobicContact CZ-CG 3.57Å; F94-F125 HydrophobicContact CB-CB 4.29Å; F94-F125 HydrophobicContact CB-CD1 3.97Å; F94-F125 HydrophobicContact CB-CG 4.2Å; F94-F125 HydrophobicContact CD2-CB 4Å; F94-F125 HydrophobicContact CD2-CD1 4.13Å; F94-F125 AromaticContact CD2-CD2 3.76Å; F94-F125 HydrophobicContact CD2-CD2 3.76Å; F94-F125 HydrophobicContact CD2-CE2 4.22Å; F94-F125 AromaticContact CD2-CG 3.7Å; F94-F125 HydrophobicContact CD2-CG 3.7Å; F94-F125 HydrophobicContact CE2-CD2 4.3Å; F94-F125 HydrophobicContact CG-CB 4.46Å; F94-F125 HydrophobicContact CG-CG 4.41Å; F94-V127 HydrophobicContact CB-CG1 4.44Å; F94-V127 HydrophobicContact CD1-CG2 3.99Å; F94-V127 HydrophobicContact CD2-CG2 4.13Å; F94-V127 HydrophobicContact CE1-CG2 4.14Å; F94-V127 HydrophobicContact CE2-CG2 4.27Å; F94-V127 HydrophobicContact CG-CG2 3.98Å; F94-V127 HydrophobicContact CZ-CG2 4.27Å; F94-V133 HydrophobicContact CD1-CG1 3.6Å; F94-V133 HydrophobicContact CE1-CG1 3.33Å; F94-V133 HydrophobicContact CZ-CG1 4.44Å
95N91.6Very high84.6Confident16 Ų1668.1 Ų68.19%0.08636%0.355CS..Hα-helixtrans-62.2-39.3174.7-78.8-68.5000112K91 A92 T93 V97 I98 D99 K136K91-N95 PolarHBondContact O-N 3.02Å; K91-N95 VanDerWaalsContact O-N 3.09Å; K91-N95 PolarHBondContact O-ND2 3.35Å; A92-N95 PolarHBondContact O-N 3.21Å; T93-N95 PolarHBondContact O-N 3.13Å; N95-V97 VanDerWaalsContact C-N 3.32Å; N95-V97 PolarHBondContact O-N 3.4Å; N95-I98 PolarHBondContact O-N 2.92Å; N95-D99 VanDerWaalsContact O-CG 3.28Å; N95-D99 PolarHBondContact O-N 3.47Å; N95-K136 WeakPolarHBondContact OD1-CD 3.26Å; N95-K136 WeakPolarHBondContact OD1-CE 3.45Å; N95-K136 PolarHBondContact OD1-NZ 2.88Å
96Q89.6Confident84.6Confident103 Ų10375.4 Ų75.448%0.48139%0.39SS..Hα-helixtrans-62.2-39.2176.2-174.2-179.80.500111.7V84 A92 T93 F94 I98 D99 V100V84-Q96 HydrophobicContact CG1-CG 4.45Å; A92-Q96 WeakPolarHBondContact O-CB 3.35Å; A92-Q96 PolarHBondContact O-N 3.29Å; T93-Q96 WeakPolarHBondContact O-CB 3.25Å; T93-Q96 PolarHBondContact O-N 3.35Å; F94-Q96 VanDerWaalsContact C-N 3.3Å; F94-Q96 PolarHBondContact O-N 3.21Å; Q96-I98 PolarHBondContact O-N 2.74Å; Q96-D99 PolarHBondContact O-N 3.11Å; Q96-V100 HydrophobicContact CG-CG2 4.42Å; Q96-V100 WeakPolarHBondContact O-CB 3.38Å; Q96-V100 VanDerWaalsContact O-CG2 3.25Å; Q96-V100 WeakPolarHBondContact O-CG2 3.41Å; Q96-V100 PolarHBondContact O-N 3.12Å
97V89.8Confident84.4Confident4 Ų476 Ų762%0.02439%0.388CS..Hα-helixtrans-60.6-44.9175.2175.60000111.2F81 V84 T93 F94 N95 D99 V100 F101 F114F81-V97 HydrophobicContact CD1-CB 4.33Å; F81-V97 HydrophobicContact CD1-CG1 3.88Å; F81-V97 HydrophobicContact CD1-CG2 4.25Å; F81-V97 HydrophobicContact CD2-CG1 4.27Å; F81-V97 HydrophobicContact CE1-CB 4.11Å; F81-V97 HydrophobicContact CE1-CG1 3.64Å; F81-V97 HydrophobicContact CE2-CG1 4.06Å; F81-V97 HydrophobicContact CG-CG1 4.18Å; F81-V97 HydrophobicContact CZ-CG1 3.73Å; V84-V97 HydrophobicContact CB-CG2 3.61Å; V84-V97 HydrophobicContact CG1-CG2 3.68Å; V84-V97 HydrophobicContact CG2-CG2 4.02Å; T93-V97 WeakPolarHBondContact O-CG2 3.41Å; T93-V97 PolarHBondContact O-N 2.96Å; F94-V97 PolarHBondContact O-N 3.47Å; N95-V97 VanDerWaalsContact C-N 3.32Å; N95-V97 PolarHBondContact O-N 3.4Å; V97-D99 VanDerWaalsContact C-N 3.33Å; V97-D99 PolarHBondContact O-N 2.88Å; V97-V100 PolarHBondContact O-N 3.12Å; V97-F101 PolarHBondContact O-N 3.08Å; V97-F114 HydrophobicContact CG1-CE2 4.03Å; V97-F114 HydrophobicContact CG1-CZ 4.23Å
98I90.1Very high84.9Confident4 Ų469.1 Ų69.12%0.02135%0.354CS..Hα-helixtrans-61.7-43.4176.5-61.5169.9000110.8F94 N95 Q96 F101 T102 F114 V133 K136 L137 V140F94-I98 HydrophobicContact CD1-CD1 3.9Å; F94-I98 HydrophobicContact CE1-CD1 3.72Å; F94-I98 HydrophobicContact CE1-CG1 4.38Å; F94-I98 PolarHBondContact O-N 3.01Å; N95-I98 PolarHBondContact O-N 2.92Å; Q96-I98 PolarHBondContact O-N 2.74Å; I98-F101 PolarHBondContact O-N 3.43Å; I98-T102 WeakPolarHBondContact O-CB 3.49Å; I98-T102 PolarHBondContact O-N 3.07Å; I98-T102 PolarHBondContact O-OG1 3.16Å; I98-F114 HydrophobicContact CG1-CE1 4.37Å; I98-F114 HydrophobicContact CG1-CZ 4.22Å; I98-V133 HydrophobicContact CD1-CG1 4.37Å; I98-K136 HydrophobicContact CD1-CB 4.33Å; I98-L137 HydrophobicContact CD1-CD2 3.74Å; I98-L137 HydrophobicContact CD1-CG 4.14Å; I98-L137 HydrophobicContact CG1-CD2 4.08Å; I98-V140 HydrophobicContact CG2-CG2 4Å
99D89.8Confident85Confident70 Ų7074.3 Ų74.337%0.37437%0.365SS..Hα-helixtrans-65.7-40179.5-69.2-19.8000111.6N95 Q96 V97 T102 K103N95-D99 VanDerWaalsContact O-CG 3.28Å; N95-D99 PolarHBondContact O-N 3.47Å; Q96-D99 PolarHBondContact O-N 3.11Å; V97-D99 VanDerWaalsContact C-N 3.33Å; V97-D99 PolarHBondContact O-N 2.88Å; D99-T102 PolarHBondContact O-N 3.23Å; D99-K103 WeakPolarHBondContact O-CB 3.38Å; D99-K103 VanDerWaalsContact O-CG 3.23Å; D99-K103 WeakPolarHBondContact O-CG 3.23Å; D99-K103 PolarHBondContact O-N 3.32Å
100V89.4Confident85Confident55 Ų5570.3 Ų70.333%0.33336%0.355SS..Hα-helixtrans-63.2-48.9175169.20000110Q96 V97 T102 K103 T104Q96-V100 HydrophobicContact CG-CG2 4.42Å; Q96-V100 WeakPolarHBondContact O-CB 3.38Å; Q96-V100 VanDerWaalsContact O-CG2 3.25Å; Q96-V100 WeakPolarHBondContact O-CG2 3.41Å; Q96-V100 PolarHBondContact O-N 3.12Å; V97-V100 PolarHBondContact O-N 3.12Å; V100-T102 VanDerWaalsContact C-N 3.3Å; V100-T102 PolarHBondContact O-N 2.94Å; V100-K103 PolarHBondContact O-N 2.62Å; V100-T104 WeakPolarHBondContact O-CB 3.47Å; V100-T104 PolarHBondContact O-N 3.06Å; V100-T104 PolarHBondContact O-OG1 2.8Å
101F87.1Confident84.9Confident18 Ų1868 Ų688%0.07934%0.339CS..Hα-helixtrans-57.3-44.6177.8-178.2-97.5000112L80 V97 I98 K103 T104 D105 H111 F114 V140L80-F101 HydrophobicContact CD1-CD2 4.49Å; V97-F101 PolarHBondContact O-N 3.08Å; I98-F101 PolarHBondContact O-N 3.43Å; F101-K103 VanDerWaalsContact C-N 3.31Å; F101-K103 PolarHBondContact O-N 3.04Å; F101-T104 PolarHBondContact O-N 3.32Å; F101-D105 PolarHBondContact O-N 3.24Å; F101-H111 HydrophobicContact CE1-CB 4.5Å; F101-F114 HydrophobicContact CB-CD2 4.33Å; F101-F114 HydrophobicContact CB-CE1 4.25Å; F101-F114 HydrophobicContact CB-CE2 3.85Å; F101-F114 HydrophobicContact CB-CZ 3.81Å; F101-F114 AromaticContact CD1-CD1 3.78Å; F101-F114 HydrophobicContact CD1-CD1 3.78Å; F101-F114 HydrophobicContact CD1-CD2 4.37Å; F101-F114 AromaticContact CD1-CE1 3.97Å; F101-F114 HydrophobicContact CD1-CE1 3.97Å; F101-F114 AromaticContact CD1-CG 3.99Å; F101-F114 HydrophobicContact CD1-CG 3.99Å; F101-F114 HydrophobicContact CD1-CZ 4.35Å; F101-F114 HydrophobicContact CD2-CB 4.37Å; F101-F114 HydrophobicContact CD2-CD1 4.48Å; F101-F114 AromaticContact CD2-CD2 3.64Å; F101-F114 HydrophobicContact CD2-CD2 3.64Å; F101-F114 HydrophobicContact CD2-CE2 4.02Å; F101-F114 AromaticContact CD2-CG 3.9Å; F101-F114 HydrophobicContact CD2-CG 3.9Å; F101-F114 HydrophobicContact CE1-CB 4.17Å; F101-F114 AromaticContact CE1-CD1 3.96Å; F101-F114 HydrophobicContact CE1-CD1 3.96Å; F101-F114 HydrophobicContact CE1-CG 4.01Å; F101-F114 HydrophobicContact CE2-CB 3.88Å; F101-F114 AromaticContact CE2-CD2 4Å; F101-F114 HydrophobicContact CE2-CD2 4Å; F101-F114 AromaticContact CE2-CG 3.91Å; F101-F114 HydrophobicContact CE2-CG 3.91Å; F101-F114 HydrophobicContact CG-CD1 4.06Å; F101-F114 AromaticContact CG-CD2 3.85Å; F101-F114 HydrophobicContact CG-CD2 3.85Å; F101-F114 HydrophobicContact CG-CE1 4.09Å; F101-F114 AromaticContact CG-CE2 3.88Å; F101-F114 HydrophobicContact CG-CE2 3.88Å; F101-F114 AromaticContact CG-CG 3.94Å; F101-F114 HydrophobicContact CG-CG 3.94Å; F101-F114 HydrophobicContact CG-CZ 4.01Å; F101-F114 HydrophobicContact CZ-CB 3.77Å; F101-F114 HydrophobicContact CZ-CD1 4.38Å; F101-F114 AromaticContact CZ-CG 3.96Å; F101-F114 HydrophobicContact CZ-CG 3.96Å; F101-V140 HydrophobicContact CD1-CG1 3.85Å; F101-V140 HydrophobicContact CE1-CG1 3.55Å
102T86.1Confident85Confident46 Ų4664.4 Ų64.428%0.28233%0.326SS..Hα-helixtrans-66.6-32.5-179.6-53.80000112.5I98 D99 V100I98-T102 WeakPolarHBondContact O-CB 3.49Å; I98-T102 PolarHBondContact O-N 3.07Å; I98-T102 PolarHBondContact O-OG1 3.16Å; D99-T102 PolarHBondContact O-N 3.23Å; V100-T102 VanDerWaalsContact C-N 3.3Å; V100-T102 PolarHBondContact O-N 2.94Å
103K86.2Confident85.1Confident166 Ų16667.3 Ų67.372%0.72233%0.328SS*.Hα-helixtrans-81.2-35.1177.6-72.7170.4-175.9171.80113D99 V100 F101D99-K103 WeakPolarHBondContact O-CB 3.38Å; D99-K103 VanDerWaalsContact O-CG 3.23Å; D99-K103 WeakPolarHBondContact O-CG 3.23Å; D99-K103 PolarHBondContact O-N 3.32Å; V100-K103 PolarHBondContact O-N 2.62Å; F101-K103 VanDerWaalsContact C-N 3.31Å; F101-K103 PolarHBondContact O-N 3.04Å
104T80.3Confident85.1Confident115 Ų11566.6 Ų66.671%0.70632%0.323SS*.Hα-helixtrans-72.4-36.5-175.4-62.60000112.4V100 F101V100-T104 WeakPolarHBondContact O-CB 3.47Å; V100-T104 PolarHBondContact O-N 3.06Å; V100-T104 PolarHBondContact O-OG1 2.8Å; F101-T104 PolarHBondContact O-N 3.32Å
105D72.3Confident85.2Confident43 Ų4366.6 Ų66.623%0.2332%0.323CS..  trans-124.8105177-168.91.1000113.1F101 R107 R108 R109F101-D105 PolarHBondContact O-N 3.24Å; D105-R107 PolarHBondContact O-N 3.09Å; D105-R107 WeakPolarHBondContact OD1-CA 3.42Å; D105-R107 WeakPolarHBondContact OD1-CB 3.36Å; D105-R107 PolarHBondContact OD1-N 3.15Å; D105-R108 WeakPolarHBondContact O-CG 3.21Å; D105-R108 PolarHBondContact O-N 3.37Å; D105-R108 PolarHBondContact OD1-N 2.82Å; D105-R109 WeakPolarHBondContact OD2-CB 3.32Å; D105-R109 WeakPolarHBondContact OD2-CG 3.47Å; D105-R109 PolarHBondContact OD2-N 3.09Å
106I71.8Confident85.3Confident164 Ų16469 Ų6984%0.84133%0.332SS*.THydrogen-bonded Turntrans-60-31.5175.6-55169.6000111.2R108I106-R108 VanDerWaalsContact C-N 3.33Å
107R70Confident85.4Confident182 Ų18264.6 Ų64.669%0.68731%0.313SS*.THydrogen-bonded Turntrans-87.8-5.8179.9-65.2-179.2176.3173-1.5112.7D105 R109D105-R107 PolarHBondContact O-N 3.09Å; D105-R107 WeakPolarHBondContact OD1-CA 3.42Å; D105-R107 WeakPolarHBondContact OD1-CB 3.36Å; D105-R107 PolarHBondContact OD1-N 3.15Å; R107-R109 VanDerWaalsContact C-N 3.27Å; R107-R109 HydrophobicContact CB-CG 4.12Å; R107-R109 PolarHBondContact O-N 3.21Å
108R77Confident85.5Confident45 Ų4564.4 Ų64.417%0.1731%0.312CS..  trans49.646.9177.4-50.4-170.9-176.9177.9-14.6112.3D105 I106 H111 D139 V140 F141D105-R108 WeakPolarHBondContact O-CG 3.21Å; D105-R108 PolarHBondContact O-N 3.37Å; D105-R108 PolarHBondContact OD1-N 2.82Å; I106-R108 VanDerWaalsContact C-N 3.33Å; R108-H111 PolarHBondContact O-ND1 3.39Å; R108-D139 PolarHBondContact NH1-O 3.23Å; R108-D139 PolarHBondContact NH2-O 3.4Å; R108-V140 WeakPolarHBondContact CD-O 3.28Å; R108-V140 VanDerWaalsContact NH1-C 3.28Å; R108-V140 PolarHBondContact NH1-O 2.9Å; R108-F141 PolarHBondContact NH1-O 3.45Å
109R79.1Confident85.7Confident165 Ų16564.8 Ų64.862%0.62331%0.314SS*.THydrogen-bonded Turntrans-69.4142.9177.5-63.1176.1167-171.8-5.7108.9D105 R107 H111D105-R109 WeakPolarHBondContact OD2-CB 3.32Å; D105-R109 WeakPolarHBondContact OD2-CG 3.47Å; D105-R109 PolarHBondContact OD2-N 3.09Å; R107-R109 VanDerWaalsContact C-N 3.27Å; R107-R109 HydrophobicContact CB-CG 4.12Å; R107-R109 PolarHBondContact O-N 3.21Å; R109-H111 VanDerWaalsContact C-N 3.25Å; R109-H111 PolarHBondContact O-N 3.4Å
110G84.8Confident85.8Confident27 Ų2768 Ų6828%0.27832%0.324SS..THydrogen-bonded Turntrans70.116.1-177.500000114.7Q77 V112 E113 F114Q77-G110 PolarHBondContact NE2-O 3.32Å; G110-V112 PolarHBondContact O-N 2.94Å; G110-E113 PolarHBondContact O-N 3.01Å; G110-E113 VanDerWaalsContact O-N 3.16Å; G110-F114 PolarHBondContact O-N 2.75Å
111H88.4Confident85.9Confident21 Ų2166.7 Ų66.710%0.09731%0.314CS..Hα-helixtrans-54.7-34.5178.356.3-89.8000113.6F101 R108 R109 F114 I115 V140 F141 F146F101-H111 HydrophobicContact CE1-CB 4.5Å; R108-H111 PolarHBondContact O-ND1 3.39Å; R109-H111 VanDerWaalsContact C-N 3.25Å; R109-H111 PolarHBondContact O-N 3.4Å; H111-F114 PolarHBondContact O-N 2.85Å; H111-I115 WeakPolarHBondContact O-CB 3.42Å; H111-I115 WeakPolarHBondContact O-CD1 3.45Å; H111-I115 WeakPolarHBondContact O-CG1 3.48Å; H111-I115 PolarHBondContact O-N 2.88Å; H111-V140 HydrophobicContact CB-CG1 3.89Å; H111-F141 AromaticContact CD2-CD1 3.4Å; H111-F141 WeakPolarHBondContact CD2-CD1 3.09Å; H111-F141 AromaticContact CD2-CE1 3.57Å; H111-F141 AromaticContact NE2-CD1 3.81Å; H111-F146 AromaticContact NE2-CZ 3.74Å
112V90.4Very high86.1Confident25 Ų2565.8 Ų65.815%0.15231%0.31CS..Hα-helixtrans-63.9-50.1177.5174.90000111G110 F114 I115 Y116 F141 Q162 C165G110-V112 PolarHBondContact O-N 2.94Å; V112-F114 VanDerWaalsContact C-N 3.25Å; V112-F114 PolarHBondContact O-N 3.01Å; V112-I115 PolarHBondContact O-N 3.28Å; V112-Y116 HydrophobicContact CG1-CD2 3.84Å; V112-Y116 HydrophobicContact CG1-CE2 3.37Å; V112-Y116 WeakPolarHBondContact O-CD2 3.27Å; V112-Y116 PolarHBondContact O-N 3.13Å; V112-F141 HydrophobicContact CG2-CE1 4.49Å; V112-Q162 HydrophobicContact CG2-CG 3.9Å; V112-C165 HydrophobicContact CG1-CB 3.98Å; V112-C165 HydrophobicContact CG2-CB 4.5Å
113E90.6Very high86.4Confident129 Ų12966.5 Ų66.560%0.60332%0.315SS*.Hα-helixtrans-61.5-39.1177.7-65.9164.2-170.200110.2Q77 G110 I115 Y116 A117Q77-E113 PolarHBondContact OE1-O 3.09Å; G110-E113 PolarHBondContact O-N 3.01Å; G110-E113 VanDerWaalsContact O-N 3.16Å; E113-I115 PolarHBondContact O-N 2.85Å; E113-Y116 PolarHBondContact O-N 3.31Å; E113-A117 PolarHBondContact O-N 3.28Å
114F91.4Very high86.6Confident0 Ų062.3 Ų62.30%030%0.298CS..Hα-helixtrans-67.2-43.4-178.1172.7-99.6000110.5F81 V97 I98 F101 G110 H111 V112 A117 A118 L137 V140F81-F114 HydrophobicContact CE2-CD2 4.16Å; F81-F114 AromaticContact CE2-CE2 3.67Å; F81-F114 HydrophobicContact CE2-CE2 3.67Å; F81-F114 HydrophobicContact CE2-CZ 4.3Å; F81-F114 AromaticContact CZ-CE2 3.81Å; F81-F114 HydrophobicContact CZ-CE2 3.81Å; F81-F114 AromaticContact CZ-CZ 3.98Å; F81-F114 HydrophobicContact CZ-CZ 3.98Å; V97-F114 HydrophobicContact CG1-CE2 4.03Å; V97-F114 HydrophobicContact CG1-CZ 4.23Å; I98-F114 HydrophobicContact CG1-CE1 4.37Å; I98-F114 HydrophobicContact CG1-CZ 4.22Å; F101-F114 HydrophobicContact CB-CD2 4.33Å; F101-F114 HydrophobicContact CB-CE1 4.25Å; F101-F114 HydrophobicContact CB-CE2 3.85Å; F101-F114 HydrophobicContact CB-CZ 3.81Å; F101-F114 AromaticContact CD1-CD1 3.78Å; F101-F114 HydrophobicContact CD1-CD1 3.78Å; F101-F114 HydrophobicContact CD1-CD2 4.37Å; F101-F114 AromaticContact CD1-CE1 3.97Å; F101-F114 HydrophobicContact CD1-CE1 3.97Å; F101-F114 AromaticContact CD1-CG 3.99Å; F101-F114 HydrophobicContact CD1-CG 3.99Å; F101-F114 HydrophobicContact CD1-CZ 4.35Å; F101-F114 HydrophobicContact CD2-CB 4.37Å; F101-F114 HydrophobicContact CD2-CD1 4.48Å; F101-F114 AromaticContact CD2-CD2 3.64Å; F101-F114 HydrophobicContact CD2-CD2 3.64Å; F101-F114 HydrophobicContact CD2-CE2 4.02Å; F101-F114 AromaticContact CD2-CG 3.9Å; F101-F114 HydrophobicContact CD2-CG 3.9Å; F101-F114 HydrophobicContact CE1-CB 4.17Å; F101-F114 AromaticContact CE1-CD1 3.96Å; F101-F114 HydrophobicContact CE1-CD1 3.96Å; F101-F114 HydrophobicContact CE1-CG 4.01Å; F101-F114 HydrophobicContact CE2-CB 3.88Å; F101-F114 AromaticContact CE2-CD2 4Å; F101-F114 HydrophobicContact CE2-CD2 4Å; F101-F114 AromaticContact CE2-CG 3.91Å; F101-F114 HydrophobicContact CE2-CG 3.91Å; F101-F114 HydrophobicContact CG-CD1 4.06Å; F101-F114 AromaticContact CG-CD2 3.85Å; F101-F114 HydrophobicContact CG-CD2 3.85Å; F101-F114 HydrophobicContact CG-CE1 4.09Å; F101-F114 AromaticContact CG-CE2 3.88Å; F101-F114 HydrophobicContact CG-CE2 3.88Å; F101-F114 AromaticContact CG-CG 3.94Å; F101-F114 HydrophobicContact CG-CG 3.94Å; F101-F114 HydrophobicContact CG-CZ 4.01Å; F101-F114 HydrophobicContact CZ-CB 3.77Å; F101-F114 HydrophobicContact CZ-CD1 4.38Å; F101-F114 AromaticContact CZ-CG 3.96Å; F101-F114 HydrophobicContact CZ-CG 3.96Å; G110-F114 PolarHBondContact O-N 2.75Å; H111-F114 PolarHBondContact O-N 2.85Å; V112-F114 VanDerWaalsContact C-N 3.25Å; V112-F114 PolarHBondContact O-N 3.01Å; F114-A117 PolarHBondContact O-N 3.15Å; F114-A118 VanDerWaalsContact O-CB 3.24Å; F114-A118 WeakPolarHBondContact O-CB 3.29Å; F114-A118 PolarHBondContact O-N 2.9Å; F114-L137 HydrophobicContact CE1-CD2 4.39Å; F114-V140 HydrophobicContact CD1-CG1 4.3Å; F114-V140 HydrophobicContact CE1-CG2 4.33Å
115I93.1Very high87Confident0 Ų057.3 Ų57.30%027%0.267CS..Hα-helixtrans-63.2-44.2176.4-69.2165.8000109.8H111 V112 E113 A117 A118 L119 V140 F141 V169H111-I115 WeakPolarHBondContact O-CB 3.42Å; H111-I115 WeakPolarHBondContact O-CD1 3.45Å; H111-I115 WeakPolarHBondContact O-CG1 3.48Å; H111-I115 PolarHBondContact O-N 2.88Å; V112-I115 PolarHBondContact O-N 3.28Å; E113-I115 PolarHBondContact O-N 2.85Å; I115-A117 PolarHBondContact O-N 2.95Å; I115-A118 WeakPolarHBondContact O-CB 3.31Å; I115-A118 PolarHBondContact O-N 3.05Å; I115-L119 HydrophobicContact CG2-CD1 3.95Å; I115-L119 HydrophobicContact CG2-CG 4.08Å; I115-L119 VanDerWaalsContact O-CG 3.24Å; I115-L119 WeakPolarHBondContact O-CG 3.19Å; I115-L119 PolarHBondContact O-N 3.26Å; I115-V140 HydrophobicContact CD1-CB 4.49Å; I115-F141 HydrophobicContact CD1-CD1 4.43Å; I115-F141 HydrophobicContact CD1-CD2 3.83Å; I115-F141 HydrophobicContact CD1-CE1 3.98Å; I115-F141 HydrophobicContact CD1-CE2 3.32Å; I115-F141 HydrophobicContact CD1-CG 4.36Å; I115-F141 HydrophobicContact CD1-CZ 3.4Å; I115-F141 VanDerWaalsContact CD1-CZ 3.4Å; I115-V169 HydrophobicContact CG2-CG2 3.61Å
116Y93.6Very high87.8Confident67 Ų6758 Ų5826%0.26328%0.284SS..Hα-helixtrans-61.6-44.3177-68.6-37.9000113V112 E113 A118 L119 K120 C165 Q168V112-Y116 HydrophobicContact CG1-CD2 3.84Å; V112-Y116 HydrophobicContact CG1-CE2 3.37Å; V112-Y116 WeakPolarHBondContact O-CD2 3.27Å; V112-Y116 PolarHBondContact O-N 3.13Å; E113-Y116 PolarHBondContact O-N 3.31Å; Y116-A118 VanDerWaalsContact C-N 3.31Å; Y116-A118 PolarHBondContact O-N 2.85Å; Y116-L119 HydrophobicContact CD1-CD1 4.42Å; Y116-L119 PolarHBondContact O-N 2.86Å; Y116-K120 PolarHBondContact O-N 3.35Å; Y116-K120 VanDerWaalsContact O-N 3.11Å; Y116-C165 HydrophobicContact CE1-CB 3.94Å; Y116-C165 HydrophobicContact CE2-CB 4.49Å; Y116-C165 WeakPolarHBondContact OH-CA 3.29Å; Y116-C165 WeakPolarHBondContact OH-CB 3.33Å; Y116-C165 PolarHBondContact OH-N 3.2Å; Y116-Q168 HydrophobicContact CE1-CB 4.17Å; Y116-Q168 HydrophobicContact CE1-CG 4.26Å; Y116-Q168 PolarHBondContact OH-NE2 2.62Å
117A92.4Very high88.8Confident10 Ų1050.2 Ų50.28%0.08324%0.244CC..Hα-helixtrans-60.5-43.1173.600000111.3E78 F81 E113 F114 I115 K120 K121E78-A117 HydrophobicContact CG-CB 4.18Å; F81-A117 HydrophobicContact CE2-CB 4.43Å; E113-A117 PolarHBondContact O-N 3.28Å; F114-A117 PolarHBondContact O-N 3.15Å; I115-A117 PolarHBondContact O-N 2.95Å; A117-K120 PolarHBondContact O-N 3.2Å; A117-K121 WeakPolarHBondContact O-CG 3.4Å; A117-K121 PolarHBondContact O-N 2.91Å
118A92.6Very high89.8Confident0 Ų043.3 Ų43.30%022%0.22CC..Hα-helixtrans-61-50.6177.600000111.6F81 F94 F114 I115 Y116 K120 K121 M122 L137F81-A118 HydrophobicContact CE1-CB 4.44Å; F81-A118 HydrophobicContact CE2-CB 4.24Å; F81-A118 HydrophobicContact CZ-CB 3.6Å; F94-A118 HydrophobicContact CZ-CB 4.01Å; F114-A118 VanDerWaalsContact O-CB 3.24Å; F114-A118 WeakPolarHBondContact O-CB 3.29Å; F114-A118 PolarHBondContact O-N 2.9Å; I115-A118 WeakPolarHBondContact O-CB 3.31Å; I115-A118 PolarHBondContact O-N 3.05Å; Y116-A118 VanDerWaalsContact C-N 3.31Å; Y116-A118 PolarHBondContact O-N 2.85Å; A118-K120 VanDerWaalsContact C-N 3.28Å; A118-K120 PolarHBondContact O-N 3.17Å; A118-K121 CarbonylContact O-C 3.55Å; A118-K121 PolarHBondContact O-N 3.37Å; A118-M122 VanDerWaalsContact O-CG 3.3Å; A118-M122 WeakPolarHBondContact O-CG 3.11Å; A118-M122 PolarHBondContact O-N 3.16Å; A118-L137 HydrophobicContact CB-CD1 4.39Å; A118-L137 HydrophobicContact CB-CD2 3.66Å
119L93.2Very high90.4Very high12 Ų1248.8 Ų48.86%0.06324%0.24CC..Hα-helixtrans-58.6-39.5179.7-65.1173.8000111.5I115 Y116 K121 M122 Y134 L137 V169 Q172I115-L119 HydrophobicContact CG2-CD1 3.95Å; I115-L119 HydrophobicContact CG2-CG 4.08Å; I115-L119 VanDerWaalsContact O-CG 3.24Å; I115-L119 WeakPolarHBondContact O-CG 3.19Å; I115-L119 PolarHBondContact O-N 3.26Å; Y116-L119 HydrophobicContact CD1-CD1 4.42Å; Y116-L119 PolarHBondContact O-N 2.86Å; L119-K121 VanDerWaalsContact C-N 3.34Å; L119-M122 HydrophobicContact CD2-SD 4Å; L119-Y134 HydrophobicContact CD2-CD1 4.43Å; L119-Y134 HydrophobicContact CD2-CE1 3.88Å; L119-L137 HydrophobicContact CD2-CD1 4.03Å; L119-V169 HydrophobicContact CD1-CG2 3.99Å; L119-V169 HydrophobicContact CD2-CG2 4.17Å; L119-Q172 PolarHBondContact O-NE2 2.89Å
120K92.8Very high91.1Very high138 Ų13842.3 Ų42.360%0.622%0.218SC*.Hα-helixtrans-65.3-37175.6-175.6-179.4174.1-1700112.1E78 Y116 A117 A118 P123E78-K120 IonicContact OE1-NZ 3.74Å; Y116-K120 PolarHBondContact O-N 3.35Å; Y116-K120 VanDerWaalsContact O-N 3.11Å; A117-K120 PolarHBondContact O-N 3.2Å; A118-K120 VanDerWaalsContact C-N 3.28Å; A118-K120 PolarHBondContact O-N 3.17Å; K120-P123 WeakPolarHBondContact O-CD 3.28Å
121K91Very high91.6Very high27 Ų2743 Ų4312%0.11722%0.216CC..Hα-helixtrans-83.9-18.5-179.1-68-63.3-174.9176.80114F81 A117 A118 L119 P123 E124 F125F81-K121 HydrophobicContact CB-CG 4.48Å; F81-K121 HydrophobicContact CD1-CB 4.37Å; F81-K121 HydrophobicContact CG-CG 4.35Å; A117-K121 WeakPolarHBondContact O-CG 3.4Å; A117-K121 PolarHBondContact O-N 2.91Å; A118-K121 CarbonylContact O-C 3.55Å; A118-K121 PolarHBondContact O-N 3.37Å; L119-K121 VanDerWaalsContact C-N 3.34Å; K121-P123 VanDerWaalsContact C-CD 3.42Å; K121-P123 VanDerWaalsContact C-N 3.35Å; K121-P123 VanDerWaalsContact O-N 3.17Å; K121-E124 VanDerWaalsContact CD-CD 3.46Å; K121-E124 HydrophobicContact CD-CG 4.44Å; K121-E124 WeakPolarHBondContact CD-OE1 3.33Å; K121-E124 WeakPolarHBondContact CE-OE1 3.4Å; K121-E124 IonicContact NZ-OE1 2.75Å; K121-E124 PolarHBondContact NZ-OE1 3.23Å; K121-E124 IonicContact NZ-OE2 3.27Å; K121-E124 PolarHBondContact NZ-OE2 2.87Å; K121-E124 WeakPolarHBondContact O-CB 3.49Å; K121-E124 PolarHBondContact O-N 3.33Å; K121-F125 HydrophobicContact CB-CD2 4.33Å; K121-F125 HydrophobicContact CB-CE2 4.1Å; K121-F125 VanDerWaalsContact O-CD2 3.32Å; K121-F125 WeakPolarHBondContact O-CD2 3.41Å; K121-F125 PolarHBondContact O-N 2.88Å
122M91.6Very high91.8Very high0 Ų045.4 Ų45.40%023%0.232CC..G310 helixtrans-48.4-43.7-178.3-73.2-175.978.600115.2F94 A118 L119 E124 F125 G126 V127 E128 V133 Y134 L137F94-M122 HydrophobicContact CE1-CG 4.25Å; F94-M122 HydrophobicContact CE2-CG 4.1Å; F94-M122 HydrophobicContact CZ-CG 3.57Å; A118-M122 VanDerWaalsContact O-CG 3.3Å; A118-M122 WeakPolarHBondContact O-CG 3.11Å; A118-M122 PolarHBondContact O-N 3.16Å; L119-M122 HydrophobicContact CD2-SD 4Å; M122-E124 VanDerWaalsContact C-N 3.32Å; M122-E124 PolarHBondContact O-N 3.29Å; M122-F125 PolarHBondContact O-N 2.84Å; M122-G126 PolarHBondContact O-N 3.09Å; M122-V127 HydrophobicContact CB-CG2 3.9Å; M122-V127 HydrophobicContact CE-CB 4.48Å; M122-V127 HydrophobicContact CE-CG2 4.01Å; M122-V127 VanDerWaalsContact CE-O 3.23Å; M122-V127 WeakPolarHBondContact CE-O 3.25Å; M122-V127 HydrophobicContact CG-CG2 3.91Å; M122-V127 WeakPolarHBondContact O-CG2 3.43Å; M122-V127 PolarHBondContact O-N 3.17Å; M122-E128 HydrophobicContact CB-CB 4.4Å; M122-V133 HydrophobicContact CE-CB 4.29Å; M122-V133 HydrophobicContact CE-CG1 3.79Å; M122-Y134 HydrophobicContact CE-CD1 4.19Å; M122-Y134 HydrophobicContact CE-CD2 4.03Å; M122-Y134 HydrophobicContact CE-CE1 3.75Å; M122-Y134 HydrophobicContact CE-CE2 3.54Å; M122-Y134 HydrophobicContact CE-CG 4.33Å; M122-Y134 HydrophobicContact SD-CD1 4.27Å; M122-Y134 HydrophobicContact SD-CE1 3.58Å; M122-Y134 VanDerWaalsContact SD-CE1 3.58Å; M122-Y134 HydrophobicContact SD-CE2 4.41Å; M122-L137 HydrophobicContact SD-CD1 3.8Å
123P91.1Very high92Very high60 Ų6044.2 Ų44.239%0.3922%0.224SC..G310 helixtrans-64.8-33178.2-21.935.2000113.3K120 K121 F125 G126 Y176K120-P123 WeakPolarHBondContact O-CD 3.28Å; K121-P123 VanDerWaalsContact C-CD 3.42Å; K121-P123 VanDerWaalsContact C-N 3.35Å; K121-P123 VanDerWaalsContact O-N 3.17Å; P123-F125 PolarHBondContact O-N 2.89Å; P123-G126 PolarHBondContact O-N 3.22Å; P123-Y176 WeakPolarHBondContact CG-OH 3.48Å
124E90.9Very high92.3Very high78 Ų7838.1 Ų38.136%0.36420%0.196SC..G310 helixtrans-66.9-23.5178-60.2-176.5-156.800112.6K89 K121 M122K89-E124 HydrophobicContact CD-CB 4.28Å; K89-E124 IonicContact NZ-OE2 2.78Å; K89-E124 PolarHBondContact NZ-OE2 2.99Å; K121-E124 VanDerWaalsContact CD-CD 3.46Å; K121-E124 HydrophobicContact CD-CG 4.44Å; K121-E124 WeakPolarHBondContact CD-OE1 3.33Å; K121-E124 WeakPolarHBondContact CE-OE1 3.4Å; K121-E124 IonicContact NZ-OE1 2.75Å; K121-E124 PolarHBondContact NZ-OE1 3.23Å; K121-E124 IonicContact NZ-OE2 3.27Å; K121-E124 PolarHBondContact NZ-OE2 2.87Å; K121-E124 WeakPolarHBondContact O-CB 3.49Å; K121-E124 PolarHBondContact O-N 3.33Å; M122-E124 VanDerWaalsContact C-N 3.32Å; M122-E124 PolarHBondContact O-N 3.29Å
125F88.9Confident92.4Very high11 Ų1138.7 Ų38.75%0.04820%0.199CC..G310 helixtrans-1030.6179.7-70-100.8000112.8F81 A85 K89 T93 F94 K121 M122 P123 V127F81-F125 HydrophobicContact CD1-CE2 4.17Å; F81-F125 HydrophobicContact CD1-CZ 4.21Å; A85-F125 HydrophobicContact CB-CE1 3.54Å; A85-F125 HydrophobicContact CB-CZ 3.5Å; A85-F125 VanDerWaalsContact CB-CZ 3.5Å; K89-F125 HydrophobicContact CB-CD1 3.85Å; K89-F125 HydrophobicContact CB-CE1 4.04Å; K89-F125 HydrophobicContact CB-CG 4.26Å; K89-F125 HydrophobicContact CG-CD1 4.38Å; K89-F125 HydrophobicContact CG-CE1 4.1Å; K89-F125 HydrophobicContact CG-CZ 4.26Å; T93-F125 WeakPolarHBondContact OG1-CE1 3.47Å; F94-F125 HydrophobicContact CB-CB 4.29Å; F94-F125 HydrophobicContact CB-CD1 3.97Å; F94-F125 HydrophobicContact CB-CG 4.2Å; F94-F125 HydrophobicContact CD2-CB 4Å; F94-F125 HydrophobicContact CD2-CD1 4.13Å; F94-F125 AromaticContact CD2-CD2 3.76Å; F94-F125 HydrophobicContact CD2-CD2 3.76Å; F94-F125 HydrophobicContact CD2-CE2 4.22Å; F94-F125 AromaticContact CD2-CG 3.7Å; F94-F125 HydrophobicContact CD2-CG 3.7Å; F94-F125 HydrophobicContact CE2-CD2 4.3Å; F94-F125 HydrophobicContact CG-CB 4.46Å; F94-F125 HydrophobicContact CG-CG 4.41Å; K121-F125 HydrophobicContact CB-CD2 4.33Å; K121-F125 HydrophobicContact CB-CE2 4.1Å; K121-F125 VanDerWaalsContact O-CD2 3.32Å; K121-F125 WeakPolarHBondContact O-CD2 3.41Å; K121-F125 PolarHBondContact O-N 2.88Å; M122-F125 PolarHBondContact O-N 2.84Å; P123-F125 PolarHBondContact O-N 2.89Å; F125-V127 HydrophobicContact CB-CG1 4.43Å; F125-V127 HydrophobicContact CB-CG2 4.13Å; F125-V127 PolarHBondContact O-N 3.38Å
126G88.6Confident92.4Very high57 Ų5742.5 Ų42.559%0.58822%0.215SC*.THydrogen-bonded Turntrans63.725.3-178.800000114.3M122 P123 E128M122-G126 PolarHBondContact O-N 3.09Å; P123-G126 PolarHBondContact O-N 3.22Å; G126-E128 VanDerWaalsContact CA-OE2 3.23Å; G126-E128 WeakPolarHBondContact CA-OE2 3.5Å
127V92.7Very high92.4Very high1 Ų139.3 Ų39.31%0.00620%0.203CC..  trans-102.94.5-178.3-65.50000113K91 F94 M122 F125 R129 D130 V133K91-V127 HydrophobicContact CB-CG1 3.74Å; K91-V127 HydrophobicContact CG-CG1 3.94Å; F94-V127 HydrophobicContact CB-CG1 4.44Å; F94-V127 HydrophobicContact CD1-CG2 3.99Å; F94-V127 HydrophobicContact CD2-CG2 4.13Å; F94-V127 HydrophobicContact CE1-CG2 4.14Å; F94-V127 HydrophobicContact CE2-CG2 4.27Å; F94-V127 HydrophobicContact CG-CG2 3.98Å; F94-V127 HydrophobicContact CZ-CG2 4.27Å; M122-V127 HydrophobicContact CB-CG2 3.9Å; M122-V127 HydrophobicContact CE-CB 4.48Å; M122-V127 HydrophobicContact CE-CG2 4.01Å; M122-V127 VanDerWaalsContact CE-O 3.23Å; M122-V127 WeakPolarHBondContact CE-O 3.25Å; M122-V127 HydrophobicContact CG-CG2 3.91Å; M122-V127 WeakPolarHBondContact O-CG2 3.43Å; M122-V127 PolarHBondContact O-N 3.17Å; F125-V127 HydrophobicContact CB-CG1 4.43Å; F125-V127 HydrophobicContact CB-CG2 4.13Å; F125-V127 PolarHBondContact O-N 3.38Å; V127-R129 PolarHBondContact O-N 2.85Å; V127-D130 PolarHBondContact O-N 3.26Å; V127-V133 HydrophobicContact CB-CG1 4.44Å; V127-V133 HydrophobicContact CB-CG2 4.21Å; V127-V133 HydrophobicContact CG1-CG2 4.36Å; V127-V133 HydrophobicContact CG2-CG1 4.31Å
128E91.6Very high92.5Very high37 Ų3738.8 Ų38.817%0.17320%0.199CC..THydrogen-bonded Turntrans-63.8-15.8-174.377.2-69164.600113.9M122 G126 Y134 Y176 I178M122-E128 HydrophobicContact CB-CB 4.4Å; G126-E128 VanDerWaalsContact CA-OE2 3.23Å; G126-E128 WeakPolarHBondContact CA-OE2 3.5Å; E128-Y134 WeakPolarHBondContact O-CE2 3.33Å; E128-Y134 PolarHBondContact O-OH 3.19Å; E128-Y176 HydrophobicContact CB-CD1 4.34Å; E128-Y176 HydrophobicContact CB-CD2 4.03Å; E128-Y176 HydrophobicContact CB-CE1 4.09Å; E128-Y176 HydrophobicContact CB-CE2 3.76Å; E128-Y176 HydrophobicContact CB-CG 4.33Å; E128-Y176 HydrophobicContact CG-CD1 3.83Å; E128-Y176 HydrophobicContact CG-CD2 4.41Å; E128-Y176 HydrophobicContact CG-CE1 3.64Å; E128-Y176 HydrophobicContact CG-CE2 4.25Å; E128-Y176 HydrophobicContact CG-CG 4.23Å; E128-I178 VanDerWaalsContact O-CD1 3.22Å; E128-I178 WeakPolarHBondContact O-CD1 3.25Å
129R90.1Very high92.5Very high159 Ų15941.5 Ų41.560%0.621%0.213SC*.THydrogen-bonded Turntrans-104.82.8176.9-74-179.2154.7156.8-6.4114.6V127V127-R129 PolarHBondContact O-N 2.85Å
130D93.5Very high92.4Very high30 Ų3040.9 Ų40.916%0.1621%0.21CC..  trans-96.4108.6-173.5-168.3-11.3000112.9K91 V127 T132 V133 Y134K91-D130 WeakPolarHBondContact CD-OD2 3.27Å; K91-D130 WeakPolarHBondContact CE-OD2 3.37Å; K91-D130 IonicContact NZ-OD2 2.61Å; K91-D130 PolarHBondContact NZ-OD2 3.07Å; V127-D130 PolarHBondContact O-N 3.26Å; D130-T132 PolarHBondContact O-N 2.96Å; D130-T132 WeakPolarHBondContact OD1-CB 3.42Å; D130-T132 PolarHBondContact OD1-N 3.05Å; D130-T132 PolarHBondContact OD1-OG1 3.41Å; D130-T132 PolarHBondContact OD2-OG1 2.9Å; D130-V133 HydrophobicContact CB-CB 4.34Å; D130-V133 HydrophobicContact CB-CG2 4Å; D130-V133 PolarHBondContact O-N 2.76Å; D130-Y134 VanDerWaalsContact O-CD2 3.29Å; D130-Y134 WeakPolarHBondContact O-CD2 3.36Å; D130-Y134 PolarHBondContact O-N 2.88Å
131L93.9Very high92.3Very high42 Ų4234.3 Ų34.322%0.2218%0.182CC..Hα-helixtrans-57.7-34177179.665000113.1V133 Y134 N135 M173 I178 N181L131-V133 VanDerWaalsContact C-N 3.28Å; L131-V133 PolarHBondContact O-N 2.93Å; L131-Y134 PolarHBondContact O-N 3.24Å; L131-N135 PolarHBondContact O-N 3.44Å; L131-M173 HydrophobicContact CD1-CE 3.41Å; L131-M173 VanDerWaalsContact CD1-CE 3.41Å; L131-I178 HydrophobicContact CB-CG2 4.13Å; L131-I178 HydrophobicContact CD1-CG2 4.05Å; L131-N181 HydrophobicContact CD2-CB 3.81Å
132T94.1Very high92.1Very high71 Ų7134.5 Ų34.544%0.43619%0.185SC..Hα-helixtrans-66.8-33.9-177.464.50000111.6D130 K136D130-T132 PolarHBondContact O-N 2.96Å; D130-T132 WeakPolarHBondContact OD1-CB 3.42Å; D130-T132 PolarHBondContact OD1-N 3.05Å; D130-T132 PolarHBondContact OD1-OG1 3.41Å; D130-T132 PolarHBondContact OD2-OG1 2.9Å; T132-K136 WeakPolarHBondContact O-CG 3.38Å; T132-K136 PolarHBondContact O-N 3.3Å; T132-K136 VanDerWaalsContact O-N 3.07Å
133V94.6Very high91.9Very high0 Ų038.9 Ų38.90%020%0.204CC..Hα-helixtrans-71.2-42.2177.3177.50000110.4F94 I98 M122 V127 D130 L131 N135 K136 L137F94-V133 HydrophobicContact CD1-CG1 3.6Å; F94-V133 HydrophobicContact CE1-CG1 3.33Å; F94-V133 HydrophobicContact CZ-CG1 4.44Å; I98-V133 HydrophobicContact CD1-CG1 4.37Å; M122-V133 HydrophobicContact CE-CB 4.29Å; M122-V133 HydrophobicContact CE-CG1 3.79Å; V127-V133 HydrophobicContact CB-CG1 4.44Å; V127-V133 HydrophobicContact CB-CG2 4.21Å; V127-V133 HydrophobicContact CG1-CG2 4.36Å; V127-V133 HydrophobicContact CG2-CG1 4.31Å; D130-V133 HydrophobicContact CB-CB 4.34Å; D130-V133 HydrophobicContact CB-CG2 4Å; D130-V133 PolarHBondContact O-N 2.76Å; L131-V133 VanDerWaalsContact C-N 3.28Å; L131-V133 PolarHBondContact O-N 2.93Å; V133-N135 PolarHBondContact O-N 3.13Å; V133-K136 WeakPolarHBondContact O-CB 3.4Å; V133-K136 PolarHBondContact O-N 2.85Å; V133-L137 WeakPolarHBondContact O-CG 3.49Å; V133-L137 PolarHBondContact O-N 2.78Å
134Y95.5Very high91.5Very high0 Ų042.8 Ų42.80%022%0.218CC..Hα-helixtrans-60.4-43.2173.6-76.6-67.9000112.8L119 M122 E128 D130 L131 K136 L137 L138 V169 Q172 M173 I178L119-Y134 HydrophobicContact CD2-CD1 4.43Å; L119-Y134 HydrophobicContact CD2-CE1 3.88Å; M122-Y134 HydrophobicContact CE-CD1 4.19Å; M122-Y134 HydrophobicContact CE-CD2 4.03Å; M122-Y134 HydrophobicContact CE-CE1 3.75Å; M122-Y134 HydrophobicContact CE-CE2 3.54Å; M122-Y134 HydrophobicContact CE-CG 4.33Å; M122-Y134 HydrophobicContact SD-CD1 4.27Å; M122-Y134 HydrophobicContact SD-CE1 3.58Å; M122-Y134 VanDerWaalsContact SD-CE1 3.58Å; M122-Y134 HydrophobicContact SD-CE2 4.41Å; E128-Y134 WeakPolarHBondContact O-CE2 3.33Å; E128-Y134 PolarHBondContact O-OH 3.19Å; D130-Y134 VanDerWaalsContact O-CD2 3.29Å; D130-Y134 WeakPolarHBondContact O-CD2 3.36Å; D130-Y134 PolarHBondContact O-N 2.88Å; L131-Y134 PolarHBondContact O-N 3.24Å; Y134-K136 VanDerWaalsContact C-N 3.31Å; Y134-K136 PolarHBondContact O-N 3.38Å; Y134-L137 PolarHBondContact O-N 3.3Å; Y134-L138 WeakPolarHBondContact O-CG 3.39Å; Y134-L138 PolarHBondContact O-N 2.88Å; Y134-V169 HydrophobicContact CD1-CG1 3.86Å; Y134-Q172 HydrophobicContact CE1-CB 4.42Å; Y134-Q172 PolarHBondContact OH-OE1 3.28Å; Y134-M173 HydrophobicContact CD1-CG 3.64Å; Y134-M173 HydrophobicContact CD1-SD 4.21Å; Y134-M173 HydrophobicContact CD2-CG 3.77Å; Y134-M173 HydrophobicContact CE1-CG 3.88Å; Y134-M173 HydrophobicContact CE2-CG 4.02Å; Y134-M173 HydrophobicContact CG-CG 3.57Å; Y134-M173 HydrophobicContact CG-SD 3.95Å; Y134-I178 HydrophobicContact CD2-CD1 3.79Å; Y134-I178 HydrophobicContact CE2-CD1 3.32Å
135N95Very high91.2Very high12 Ų1242.7 Ų42.76%0.06422%0.222CC..Hα-helixtrans-62.3-38.6175.4-76.4-10.6000111.8L131 V133 L138 D139 N181 E183 T184 L187L131-N135 PolarHBondContact O-N 3.44Å; V133-N135 PolarHBondContact O-N 3.13Å; N135-L138 PolarHBondContact O-N 3.36Å; N135-D139 PolarHBondContact O-N 2.84Å; N135-N181 PolarHBondContact ND2-ND2 3.43Å; N135-N181 PolarHBondContact ND2-OD1 3.27Å; N135-N181 VanDerWaalsContact ND2-OD1 3.14Å; N135-E183 PolarHBondContact ND2-OE2 3.13Å; N135-T184 WeakPolarHBondContact OD1-CB 3.47Å; N135-T184 PolarHBondContact OD1-OG1 3.37Å; N135-L187 HydrophobicContact CB-CD1 4.11Å; N135-L187 WeakPolarHBondContact O-CD1 3.45Å
136K93.4Very high91Very high80 Ų8042.6 Ų42.635%0.34822%0.222SC..Hα-helixtrans-65.5-40.8173.7-77.2178.4174-165.10113N95 I98 T132 V133 Y134 L138 D139 V140N95-K136 WeakPolarHBondContact OD1-CD 3.26Å; N95-K136 WeakPolarHBondContact OD1-CE 3.45Å; N95-K136 PolarHBondContact OD1-NZ 2.88Å; I98-K136 HydrophobicContact CD1-CB 4.33Å; T132-K136 WeakPolarHBondContact O-CG 3.38Å; T132-K136 PolarHBondContact O-N 3.3Å; T132-K136 VanDerWaalsContact O-N 3.07Å; V133-K136 WeakPolarHBondContact O-CB 3.4Å; V133-K136 PolarHBondContact O-N 2.85Å; Y134-K136 VanDerWaalsContact C-N 3.31Å; Y134-K136 PolarHBondContact O-N 3.38Å; K136-L138 VanDerWaalsContact C-N 3.32Å; K136-L138 PolarHBondContact O-N 3.2Å; K136-D139 PolarHBondContact O-N 3.03Å; K136-D139 VanDerWaalsContact O-N 3.16Å; K136-V140 PolarHBondContact O-N 2.92Å
137L93.8Very high90.8Very high0 Ų042.1 Ų42.10%021%0.207CC..Hα-helixtrans-62.6-40.1175.3-72175.5000111.6I98 F114 A118 L119 M122 V133 Y134 D139 V140I98-L137 HydrophobicContact CD1-CD2 3.74Å; I98-L137 HydrophobicContact CD1-CG 4.14Å; I98-L137 HydrophobicContact CG1-CD2 4.08Å; F114-L137 HydrophobicContact CE1-CD2 4.39Å; A118-L137 HydrophobicContact CB-CD1 4.39Å; A118-L137 HydrophobicContact CB-CD2 3.66Å; L119-L137 HydrophobicContact CD2-CD1 4.03Å; M122-L137 HydrophobicContact SD-CD1 3.8Å; V133-L137 WeakPolarHBondContact O-CG 3.49Å; V133-L137 PolarHBondContact O-N 2.78Å; Y134-L137 PolarHBondContact O-N 3.3Å; L137-D139 VanDerWaalsContact C-N 3.32Å; L137-D139 PolarHBondContact O-N 2.91Å; L137-V140 VanDerWaalsContact O-CB 3.3Å; L137-V140 WeakPolarHBondContact O-CB 3.25Å; L137-V140 PolarHBondContact O-N 3.47Å
138L93.1Very high90.4Very high0 Ų043.3 Ų43.30%022%0.217CC..Hα-helixtrans-65.1-37.1173.3-70173.2000111.9Y134 N135 K136 V140 F141 V169 T184 L187 L188 I191Y134-L138 WeakPolarHBondContact O-CG 3.39Å; Y134-L138 PolarHBondContact O-N 2.88Å; N135-L138 PolarHBondContact O-N 3.36Å; K136-L138 VanDerWaalsContact C-N 3.32Å; K136-L138 PolarHBondContact O-N 3.2Å; L138-V140 PolarHBondContact O-N 3.5Å; L138-V140 VanDerWaalsContact O-N 3.15Å; L138-F141 HydrophobicContact CD2-CD2 4.39Å; L138-F141 HydrophobicContact CD2-CE2 4.16Å; L138-F141 WeakPolarHBondContact O-CD2 3.16Å; L138-F141 PolarHBondContact O-N 2.81Å; L138-F141 VanDerWaalsContact O-N 3.08Å; L138-V169 HydrophobicContact CD2-CB 4.19Å; L138-V169 HydrophobicContact CD2-CG1 3.91Å; L138-V169 HydrophobicContact CD2-CG2 4.34Å; L138-V169 HydrophobicContact CG-CG1 4.05Å; L138-T184 HydrophobicContact CD1-CG2 3.58Å; L138-L187 HydrophobicContact CB-CD1 4.29Å; L138-L188 HydrophobicContact CD1-CD2 4.23Å; L138-L188 HydrophobicContact CD1-CG 4.45Å; L138-L188 HydrophobicContact CD2-CD2 4.04Å; L138-I191 HydrophobicContact CB-CD1 4.45Å; L138-I191 WeakPolarHBondContact O-CD1 3.35Å
139D92.5Very high90Very high56 Ų5651.6 Ų51.630%0.29925%0.247SC..Hα-helixtrans-66.4-12.3177.4-161.452.9000113.5R108 N135 K136 L137 F141 K143 L187R108-D139 PolarHBondContact NH1-O 3.23Å; R108-D139 PolarHBondContact NH2-O 3.4Å; N135-D139 PolarHBondContact O-N 2.84Å; K136-D139 PolarHBondContact O-N 3.03Å; K136-D139 VanDerWaalsContact O-N 3.16Å; L137-D139 VanDerWaalsContact C-N 3.32Å; L137-D139 PolarHBondContact O-N 2.91Å; D139-F141 VanDerWaalsContact C-N 3.3Å; D139-K143 WeakPolarHBondContact OD1-CE 3.3Å; D139-K143 IonicContact OD1-NZ 2.71Å; D139-K143 PolarHBondContact OD1-NZ 3.37Å; D139-L187 HydrophobicContact CB-CD2 4.39Å
140V91.3Very high89.7Confident0 Ų048.6 Ų48.60%024%0.243CC..THydrogen-bonded Turntrans-68.1-28.7171.1-177.50000111.4I98 F101 R108 H111 F114 I115 K136 L137 L138I98-V140 HydrophobicContact CG2-CG2 4Å; F101-V140 HydrophobicContact CD1-CG1 3.85Å; F101-V140 HydrophobicContact CE1-CG1 3.55Å; R108-V140 WeakPolarHBondContact CD-O 3.28Å; R108-V140 VanDerWaalsContact NH1-C 3.28Å; R108-V140 PolarHBondContact NH1-O 2.9Å; H111-V140 HydrophobicContact CB-CG1 3.89Å; F114-V140 HydrophobicContact CD1-CG1 4.3Å; F114-V140 HydrophobicContact CE1-CG2 4.33Å; I115-V140 HydrophobicContact CD1-CB 4.49Å; K136-V140 PolarHBondContact O-N 2.92Å; L137-V140 VanDerWaalsContact O-CB 3.3Å; L137-V140 WeakPolarHBondContact O-CB 3.25Å; L137-V140 PolarHBondContact O-N 3.47Å; L138-V140 PolarHBondContact O-N 3.5Å; L138-V140 VanDerWaalsContact O-N 3.15Å
141F90.8Very high89.1Confident0 Ų054 Ų540%027%0.265CS..SBendtrans-64.5139.6175.6-72.2-77.5000111.5R108 H111 V112 I115 L138 D139 K143 F146 Q162 C165 I191 F192R108-F141 PolarHBondContact NH1-O 3.45Å; H111-F141 AromaticContact CD2-CD1 3.4Å; H111-F141 WeakPolarHBondContact CD2-CD1 3.09Å; H111-F141 AromaticContact CD2-CE1 3.57Å; H111-F141 AromaticContact NE2-CD1 3.81Å; V112-F141 HydrophobicContact CG2-CE1 4.49Å; I115-F141 HydrophobicContact CD1-CD1 4.43Å; I115-F141 HydrophobicContact CD1-CD2 3.83Å; I115-F141 HydrophobicContact CD1-CE1 3.98Å; I115-F141 HydrophobicContact CD1-CE2 3.32Å; I115-F141 HydrophobicContact CD1-CG 4.36Å; I115-F141 HydrophobicContact CD1-CZ 3.4Å; I115-F141 VanDerWaalsContact CD1-CZ 3.4Å; L138-F141 HydrophobicContact CD2-CD2 4.39Å; L138-F141 HydrophobicContact CD2-CE2 4.16Å; L138-F141 WeakPolarHBondContact O-CD2 3.16Å; L138-F141 PolarHBondContact O-N 2.81Å; L138-F141 VanDerWaalsContact O-N 3.08Å; D139-F141 VanDerWaalsContact C-N 3.3Å; F141-K143 PolarHBondContact O-N 2.86Å; F141-F146 HydrophobicContact CB-CE2 4.32Å; F141-F146 AromaticContact CD1-CE2 3.96Å; F141-F146 HydrophobicContact CD1-CE2 3.96Å; F141-Q162 HydrophobicContact CE1-CB 4.33Å; F141-C165 HydrophobicContact CE1-CB 4.47Å; F141-C165 HydrophobicContact CZ-CB 3.99Å; F141-I191 HydrophobicContact CB-CB 4.42Å; F141-I191 HydrophobicContact CB-CD1 3.94Å; F141-I191 HydrophobicContact CB-CG1 4.04Å; F141-I191 HydrophobicContact CB-CG2 3.46Å; F141-I191 VanDerWaalsContact CB-CG2 3.46Å; F141-I191 HydrophobicContact CD2-CD1 4.41Å; F141-I191 HydrophobicContact CD2-CG2 4.47Å; F141-I191 HydrophobicContact CG-CG2 3.96Å; F141-F192 HydrophobicContact CD1-CZ 4.18Å; F141-F192 HydrophobicContact CD2-CE2 4.5Å; F141-F192 HydrophobicContact CD2-CZ 4.24Å; F141-F192 HydrophobicContact CE1-CZ 4.06Å; F141-F192 HydrophobicContact CE2-CZ 4.12Å; F141-F192 HydrophobicContact CG-CZ 4.27Å; F141-F192 HydrophobicContact CZ-CZ 4.03Å
142P87.9Confident88.4Confident30 Ų3057.2 Ų57.220%0.19528%0.281CS..PPolyproline II helixtrans-64.2129.8172.327.5-35.3000110.6V145 F146P142-V145 HydrophobicContact CB-CB 4.37Å; P142-V145 HydrophobicContact CB-CG2 3.88Å; P142-V145 HydrophobicContact CG-CB 4.35Å; P142-V145 HydrophobicContact CG-CG2 4.34Å; P142-F146 HydrophobicContact CG-CE1 4.37Å; P142-F146 HydrophobicContact CG-CE2 3.55Å; P142-F146 HydrophobicContact CG-CZ 3.4Å; P142-F146 VanDerWaalsContact CG-CZ 3.4Å
143K86.9Confident87.7Confident92 Ų9256.8 Ų56.840%0.427%0.274SS..THydrogen-bonded Turntrans-74.4145.1-178-60.6178.9-176.3179.90110.8D139 F141 V145D139-K143 WeakPolarHBondContact OD1-CE 3.3Å; D139-K143 IonicContact OD1-NZ 2.71Å; D139-K143 PolarHBondContact OD1-NZ 3.37Å; F141-K143 PolarHBondContact O-N 2.86Å; K143-V145 PolarHBondContact O-N 3.17Å
144E83.1Confident86.9Confident143 Ų14361.3 Ų61.367%0.66829%0.291SS*.THydrogen-bonded Turntrans63.3-3.3175.3-54.7-177.3172.600116.5Q190E144-Q190 WeakPolarHBondContact CA-O 3.28Å; E144-Q190 PolarHBondContact N-O 3.21Å
145V83.8Confident86.1Confident76 Ų7666.4 Ų66.446%0.46132%0.317SS..SBendtrans-75.5-36.6-178.9178.40000112P142 K143P142-V145 HydrophobicContact CB-CB 4.37Å; P142-V145 HydrophobicContact CB-CG2 3.88Å; P142-V145 HydrophobicContact CG-CB 4.35Å; P142-V145 HydrophobicContact CG-CG2 4.34Å; K143-V145 PolarHBondContact O-N 3.17Å
146F83.9Confident85.2Confident8 Ų873 Ų734%0.03535%0.345CS..SBendtrans-97.39.4-172.8-46.1-57.8000113.9H111 F141 P142 A148 H158 Y159 Q162 I191 F192H111-F146 AromaticContact NE2-CZ 3.74Å; F141-F146 HydrophobicContact CB-CE2 4.32Å; F141-F146 AromaticContact CD1-CE2 3.96Å; F141-F146 HydrophobicContact CD1-CE2 3.96Å; P142-F146 HydrophobicContact CG-CE1 4.37Å; P142-F146 HydrophobicContact CG-CE2 3.55Å; P142-F146 HydrophobicContact CG-CZ 3.4Å; P142-F146 VanDerWaalsContact CG-CZ 3.4Å; F146-A148 PolarHBondContact O-N 2.95Å; F146-H158 PolarHBondContact O-CD2 2.73Å; F146-Y159 HydrophobicContact CB-CD2 4.13Å; F146-Y159 AromaticContact CD1-CD1 3.95Å; F146-Y159 HydrophobicContact CD1-CD1 3.95Å; F146-Y159 AromaticContact CD1-CD2 3.71Å; F146-Y159 HydrophobicContact CD1-CD2 3.71Å; F146-Y159 HydrophobicContact CD1-CE1 4.32Å; F146-Y159 HydrophobicContact CD1-CE2 4.08Å; F146-Y159 AromaticContact CD1-CG 3.63Å; F146-Y159 HydrophobicContact CD1-CG 3.63Å; F146-Y159 HydrophobicContact CE1-CD1 4.22Å; F146-Y159 HydrophobicContact CE1-CE1 4.49Å; F146-Y159 HydrophobicContact CE1-CG 4.34Å; F146-Y159 HydrophobicContact CG-CD2 4.4Å; F146-Y159 HydrophobicContact CG-CG 4.47Å; F146-Q162 HydrophobicContact CD1-CG 4.45Å; F146-Q162 HydrophobicContact CE1-CG 3.91Å; F146-Q162 HydrophobicContact CE2-CB 4.45Å; F146-Q162 HydrophobicContact CE2-CG 4.3Å; F146-Q162 HydrophobicContact CZ-CB 4.41Å; F146-Q162 HydrophobicContact CZ-CG 3.82Å; F146-I191 WeakPolarHBondContact CB-O 3.37Å; F146-I191 HydrophobicContact CD2-CG2 3.78Å; F146-I191 HydrophobicContact CE2-CG2 4.29Å; F146-I191 PolarHBondContact N-O 2.98Å; F146-F192 HydrophobicContact CB-CD1 4.05Å; F146-F192 HydrophobicContact CD2-CD1 4.27Å; F146-F192 HydrophobicContact CD2-CE1 4.08Å
147V85.9Confident84.4Confident48 Ų4873 Ų7329%0.29135%0.348SS..  trans-76116.1-177.7-178.40000110.1R149V147-R149 PolarHBondContact O-N 3.46Å
148A83.8Confident83.8Confident25 Ų2574.8 Ų74.821%0.20736%0.357CS..  trans-64.3117.9176.400000111F146 Q153 R154 H158F146-A148 PolarHBondContact O-N 2.95Å; A148-Q153 HydrophobicContact CB-CB 4.07Å; A148-R154 HydrophobicContact CB-CB 4.47Å; A148-H158 HydrophobicContact CB-CB 4.11Å
149R82.3Confident83.5Confident212 Ų21279.3 Ų79.380%0.838%0.375SS*.  trans-85.8-34.5-178.9-60.7-176.8-177.7-174.6-1.4112.1V147V147-R149 PolarHBondContact O-N 3.46Å
150N85.3Confident83.3Confident96 Ų9680.4 Ų80.451%0.51339%0.385SS..SBendtrans-109155.7-173.7-65.4-23.8000113.1I152 Q153 R154N150-I152 VanDerWaalsContact C-N 3.3Å; N150-I152 PolarHBondContact O-N 2.97Å; N150-Q153 HydrophobicContact CB-CB 4.49Å; N150-Q153 HydrophobicContact CB-CG 4.26Å; N150-Q153 PolarHBondContact O-N 2.96Å; N150-R154 PolarHBondContact O-N 2.87Å; N150-R154 VanDerWaalsContact O-N 3.09Å
151F79.2Confident83.3Confident142 Ų14289.4 Ų89.462%0.62342%0.419SS*.Hα-helixtrans-58.2-41.5175-179.9-96.5000112.3R154 M155F151-R154 WeakPolarHBondContact O-CB 3.43Å; F151-R154 PolarHBondContact O-N 3.37Å; F151-M155 HydrophobicContact CE1-SD 4.17Å; F151-M155 PolarHBondContact O-N 3.44Å
152I79.4Confident83.3Confident111 Ų11191.3 Ų91.357%0.56943%0.428SS*.Hα-helixtrans-63.9-43.5178.9-60.4174.2000111N150 R154 M155 F156N150-I152 VanDerWaalsContact C-N 3.3Å; N150-I152 PolarHBondContact O-N 2.97Å; I152-R154 VanDerWaalsContact C-N 3.27Å; I152-R154 PolarHBondContact O-N 2.9Å; I152-M155 WeakPolarHBondContact O-CB 3.29Å; I152-M155 PolarHBondContact O-N 3.14Å; I152-F156 HydrophobicContact CG2-CD2 3.7Å; I152-F156 HydrophobicContact CG2-CE2 4Å; I152-F156 WeakPolarHBondContact O-CD2 3.39Å; I152-F156 PolarHBondContact O-N 3.31Å
153Q81.3Confident83.5Confident61 Ų6190.5 Ų90.529%0.28542%0.421SS..Hα-helixtrans-62.3-36.5176.5-71174.3-2000112A148 N150 M155 H158A148-Q153 HydrophobicContact CB-CB 4.07Å; N150-Q153 HydrophobicContact CB-CB 4.49Å; N150-Q153 HydrophobicContact CB-CG 4.26Å; N150-Q153 PolarHBondContact O-N 2.96Å; Q153-M155 VanDerWaalsContact C-N 3.32Å; Q153-H158 HydrophobicContact CB-CB 4.27Å; Q153-H158 PolarHBondContact O-N 3.27Å
154R77.6Confident83.8Confident95 Ų9591.3 Ų91.336%0.35843%0.427SS..Hα-helixtrans-66.2-35.8173.9-172.6-175-61.2149.84.1112A148 N150 F151 I152 K195A148-R154 HydrophobicContact CB-CB 4.47Å; N150-R154 PolarHBondContact O-N 2.87Å; N150-R154 VanDerWaalsContact O-N 3.09Å; F151-R154 WeakPolarHBondContact O-CB 3.43Å; F151-R154 PolarHBondContact O-N 3.37Å; I152-R154 VanDerWaalsContact C-N 3.27Å; I152-R154 PolarHBondContact O-N 2.9Å; R154-K195 HydrophobicContact CG-CB 4.38Å
155M77.4Confident84.3Confident108 Ų10884.5 Ų84.553%0.53240%0.395SS..Hα-helixtrans-73.8-36.3-179.8-167.316970.500112.4F151 I152 Q153F151-M155 HydrophobicContact CE1-SD 4.17Å; F151-M155 PolarHBondContact O-N 3.44Å; I152-M155 WeakPolarHBondContact O-CB 3.29Å; I152-M155 PolarHBondContact O-N 3.14Å; Q153-M155 VanDerWaalsContact C-N 3.32Å
156F75.8Confident84.8Confident150 Ų15080.9 Ų80.966%0.65837%0.373SS*.THydrogen-bonded Turntrans-102.535.1-175.3-71.4-74.6000114.7I152I152-F156 HydrophobicContact CG2-CD2 3.7Å; I152-F156 HydrophobicContact CG2-CE2 4Å; I152-F156 WeakPolarHBondContact O-CD2 3.39Å; I152-F156 PolarHBondContact O-N 3.31Å
157N76.7Confident85.4Confident79 Ų7982.1 Ų82.142%0.42238%0.381SS..THydrogen-bonded Turntrans4968173.9-66.1-10.8000114.2Y159 P160 H197N157-Y159 PolarHBondContact O-N 2.93Å; N157-P160 HydrophobicContact CB-CB 4.47Å; N157-P160 WeakPolarHBondContact O-CD 3.44Å; N157-H197 PolarHBondContact OD1-NE2 3.48Å
158H82.3Confident85.9Confident39 Ų3983.1 Ų83.118%0.18138%0.383CS..SBendtrans-54.3119.9178-165.149.9000113F146 A148 Q153 Q163F146-H158 PolarHBondContact O-CD2 2.73Å; A148-H158 HydrophobicContact CB-CB 4.11Å; Q153-H158 HydrophobicContact CB-CB 4.27Å; Q153-H158 PolarHBondContact O-N 3.27Å; H158-Q163 PolarHBondContact O-NE2 2.94Å
159Y85.9Confident86.4Confident95 Ų9582 Ų8237%0.37337%0.373SS..SBendtrans57.466.7-174.9-65.2-78.9000113.7F146 N157 R161 Q162 Q163F146-Y159 HydrophobicContact CB-CD2 4.13Å; F146-Y159 AromaticContact CD1-CD1 3.95Å; F146-Y159 HydrophobicContact CD1-CD1 3.95Å; F146-Y159 AromaticContact CD1-CD2 3.71Å; F146-Y159 HydrophobicContact CD1-CD2 3.71Å; F146-Y159 HydrophobicContact CD1-CE1 4.32Å; F146-Y159 HydrophobicContact CD1-CE2 4.08Å; F146-Y159 AromaticContact CD1-CG 3.63Å; F146-Y159 HydrophobicContact CD1-CG 3.63Å; F146-Y159 HydrophobicContact CE1-CD1 4.22Å; F146-Y159 HydrophobicContact CE1-CE1 4.49Å; F146-Y159 HydrophobicContact CE1-CG 4.34Å; F146-Y159 HydrophobicContact CG-CD2 4.4Å; F146-Y159 HydrophobicContact CG-CG 4.47Å; N157-Y159 PolarHBondContact O-N 2.93Å; Y159-R161 PolarHBondContact O-N 3.33Å; Y159-Q162 PolarHBondContact O-N 2.87Å; Y159-Q163 WeakPolarHBondContact O-CG 3.39Å; Y159-Q163 PolarHBondContact O-N 3.01Å; Y159-Q163 VanDerWaalsContact O-N 3.1Å
160P89.1Confident87.1Confident79 Ų7971.9 Ų71.951%0.51334%0.335SS..Hα-helixtrans-64.2-41.3-170.425.2-32.6000112.8N157 Q162 Q163 E164N157-P160 HydrophobicContact CB-CB 4.47Å; N157-P160 WeakPolarHBondContact O-CD 3.44Å; P160-Q162 PolarHBondContact O-N 2.78Å; P160-Q163 PolarHBondContact O-N 2.97Å; P160-E164 WeakPolarHBondContact O-CB 3.38Å; P160-E164 PolarHBondContact O-N 2.95Å
161R90.6Very high87.6Confident189 Ų18971.7 Ų71.771%0.71333%0.331SS*.Hα-helixtrans-62.2-40.3-179.6-67.7-174178.4-174.2-1112.8Y159 C165Y159-R161 PolarHBondContact O-N 3.33Å; R161-C165 WeakPolarHBondContact O-CB 3.34Å; R161-C165 PolarHBondContact O-N 3.45Å
162Q91.3Very high88.3Confident39 Ų3966.5 Ų66.518%0.18231%0.308CS..Hα-helixtrans-73.2-40.4179.7-67.676.27.700111.2V112 F141 F146 Y159 P160 E164 C165 G166 F192V112-Q162 HydrophobicContact CG2-CG 3.9Å; F141-Q162 HydrophobicContact CE1-CB 4.33Å; F146-Q162 HydrophobicContact CD1-CG 4.45Å; F146-Q162 HydrophobicContact CE1-CG 3.91Å; F146-Q162 HydrophobicContact CE2-CB 4.45Å; F146-Q162 HydrophobicContact CE2-CG 4.3Å; F146-Q162 HydrophobicContact CZ-CB 4.41Å; F146-Q162 HydrophobicContact CZ-CG 3.82Å; Y159-Q162 PolarHBondContact O-N 2.87Å; P160-Q162 PolarHBondContact O-N 2.78Å; Q162-E164 VanDerWaalsContact C-N 3.33Å; Q162-C165 PolarHBondContact O-N 3.23Å; Q162-G166 PolarHBondContact O-N 3.47Å; Q162-F192 HydrophobicContact CB-CE1 4.04Å; Q162-F192 WeakPolarHBondContact O-CE1 3.34Å; Q162-F192 WeakPolarHBondContact O-CZ 3.27Å
163Q92.1Very high89Confident13 Ų1361.2 Ų61.26%0.06128%0.281CS..Hα-helixtrans-63.8-40.7174.5-71.8-163.736.900111.7H158 Y159 P160 G166 V167 F192 H197 P198H158-Q163 PolarHBondContact O-NE2 2.94Å; Y159-Q163 WeakPolarHBondContact O-CG 3.39Å; Y159-Q163 PolarHBondContact O-N 3.01Å; Y159-Q163 VanDerWaalsContact O-N 3.1Å; P160-Q163 PolarHBondContact O-N 2.97Å; Q163-G166 PolarHBondContact O-N 3.24Å; Q163-V167 WeakPolarHBondContact O-CG2 3.36Å; Q163-V167 PolarHBondContact O-N 2.64Å; Q163-F192 HydrophobicContact CG-CD1 3.87Å; Q163-F192 HydrophobicContact CG-CE1 4.25Å; Q163-H197 PolarHBondContact OE1-CD2 3.37Å; Q163-H197 VanDerWaalsContact OE1-N 3.12Å; Q163-P198 HydrophobicContact CB-CG 4.36Å; Q163-P198 WeakPolarHBondContact O-CG 3.2Å
164E93.4Very high89.6Confident110 Ų11061.7 Ų61.751%0.51428%0.283SS..Hα-helixtrans-60.7-46.7174.5-175.4175-169.100111.4P160 Q162 G166 V167 Q168P160-E164 WeakPolarHBondContact O-CB 3.38Å; P160-E164 PolarHBondContact O-N 2.95Å; Q162-E164 VanDerWaalsContact C-N 3.33Å; E164-G166 VanDerWaalsContact C-N 3.33Å; E164-G166 PolarHBondContact O-N 2.93Å; E164-V167 CarbonylContact O-C 3.54Å; E164-V167 WeakPolarHBondContact O-CA 3.41Å; E164-V167 WeakPolarHBondContact O-CB 3.46Å; E164-V167 PolarHBondContact O-N 3.05Å; E164-Q168 WeakPolarHBondContact O-CG 3.26Å; E164-Q168 PolarHBondContact O-N 3.12Å
165C94.5Very high90.3Very high0 Ų061.6 Ų61.60%030%0.297CS..Hα-helixtrans-57.4-45174.6-1740000112.1V112 Y116 F141 R161 Q162 V167 Q168 V169V112-C165 HydrophobicContact CG1-CB 3.98Å; V112-C165 HydrophobicContact CG2-CB 4.5Å; Y116-C165 HydrophobicContact CE1-CB 3.94Å; Y116-C165 HydrophobicContact CE2-CB 4.49Å; Y116-C165 WeakPolarHBondContact OH-CA 3.29Å; Y116-C165 WeakPolarHBondContact OH-CB 3.33Å; Y116-C165 PolarHBondContact OH-N 3.2Å; F141-C165 HydrophobicContact CE1-CB 4.47Å; F141-C165 HydrophobicContact CZ-CB 3.99Å; R161-C165 WeakPolarHBondContact O-CB 3.34Å; R161-C165 PolarHBondContact O-N 3.45Å; Q162-C165 PolarHBondContact O-N 3.23Å; C165-V167 VanDerWaalsContact C-N 3.31Å; C165-V167 PolarHBondContact O-N 2.87Å; C165-Q168 PolarHBondContact O-N 3.13Å; C165-V169 WeakPolarHBondContact O-CG2 3.3Å; C165-V169 PolarHBondContact O-N 2.85Å
166G94.2Very high90.9Very high0 Ų059.4 Ų59.40%028%0.284CS..Hα-helixtrans-63.3-33.5174.600000113.8Q162 Q163 E164 L170Q162-G166 PolarHBondContact O-N 3.47Å; Q163-G166 PolarHBondContact O-N 3.24Å; E164-G166 VanDerWaalsContact C-N 3.33Å; E164-G166 PolarHBondContact O-N 2.93Å; G166-L170 PolarHBondContact O-N 2.81Å
167V95.5Very high91.5Very high34 Ų3454.9 Ų54.921%0.20628%0.279CS..Hα-helixtrans-68.7-42172.5170.40000110.9Q163 E164 C165 V169 L170 E171 H197 P198 K201Q163-V167 WeakPolarHBondContact O-CG2 3.36Å; Q163-V167 PolarHBondContact O-N 2.64Å; E164-V167 CarbonylContact O-C 3.54Å; E164-V167 WeakPolarHBondContact O-CA 3.41Å; E164-V167 WeakPolarHBondContact O-CB 3.46Å; E164-V167 PolarHBondContact O-N 3.05Å; C165-V167 VanDerWaalsContact C-N 3.31Å; C165-V167 PolarHBondContact O-N 2.87Å; V167-V169 VanDerWaalsContact C-N 3.33Å; V167-V169 PolarHBondContact O-N 3.2Å; V167-L170 CarbonylContact O-C 3.55Å; V167-L170 PolarHBondContact O-N 3.05Å; V167-L170 VanDerWaalsContact O-N 3.13Å; V167-E171 WeakPolarHBondContact O-CB 3.18Å; V167-E171 PolarHBondContact O-N 2.91Å; V167-H197 HydrophobicContact CG2-CB 4.18Å; V167-P198 HydrophobicContact CG2-CG 4.14Å; V167-K201 HydrophobicContact CG1-CG 4.39Å
168Q95.7Very high92.1Very high69 Ų6952 Ų5232%0.32226%0.264SS..Hα-helixtrans-63.1-37.1177.8-71.4-17020.400112.4Y116 E164 C165 L170 E171 Q172Y116-Q168 HydrophobicContact CE1-CB 4.17Å; Y116-Q168 HydrophobicContact CE1-CG 4.26Å; Y116-Q168 PolarHBondContact OH-NE2 2.62Å; E164-Q168 WeakPolarHBondContact O-CG 3.26Å; E164-Q168 PolarHBondContact O-N 3.12Å; C165-Q168 PolarHBondContact O-N 3.13Å; Q168-L170 VanDerWaalsContact C-N 3.34Å; Q168-L170 PolarHBondContact O-N 2.89Å; Q168-E171 PolarHBondContact O-N 2.98Å; Q168-Q172 PolarHBondContact O-N 2.89Å
169V96.1Very high92.6Very high0 Ų055.4 Ų55.40%028%0.281CS..Hα-helixtrans-57.5-49171.51760000110.5I115 L119 Y134 L138 C165 V167 E171 Q172 M173I115-V169 HydrophobicContact CG2-CG2 3.61Å; L119-V169 HydrophobicContact CD1-CG2 3.99Å; L119-V169 HydrophobicContact CD2-CG2 4.17Å; Y134-V169 HydrophobicContact CD1-CG1 3.86Å; L138-V169 HydrophobicContact CD2-CB 4.19Å; L138-V169 HydrophobicContact CD2-CG1 3.91Å; L138-V169 HydrophobicContact CD2-CG2 4.34Å; L138-V169 HydrophobicContact CG-CG1 4.05Å; C165-V169 WeakPolarHBondContact O-CG2 3.3Å; C165-V169 PolarHBondContact O-N 2.85Å; V167-V169 VanDerWaalsContact C-N 3.33Å; V167-V169 PolarHBondContact O-N 3.2Å; V169-E171 VanDerWaalsContact C-N 3.34Å; V169-E171 PolarHBondContact O-N 3.38Å; V169-Q172 PolarHBondContact O-N 3.44Å; V169-M173 WeakPolarHBondContact O-CG 3.37Å; V169-M173 PolarHBondContact O-N 2.9Å; V169-M173 VanDerWaalsContact O-N 3.09Å
170L96.3Very high93Very high0 Ų051 Ų510%026%0.264CS..Hα-helixtrans-68.9-31.7179.1-68.7171.4000113.1G166 V167 Q168 M173 E174 P180 T184 L188 P198 K201 I205G166-L170 PolarHBondContact O-N 2.81Å; V167-L170 CarbonylContact O-C 3.55Å; V167-L170 PolarHBondContact O-N 3.05Å; V167-L170 VanDerWaalsContact O-N 3.13Å; Q168-L170 VanDerWaalsContact C-N 3.34Å; Q168-L170 PolarHBondContact O-N 2.89Å; L170-M173 HydrophobicContact CD2-SD 4.02Å; L170-E174 PolarHBondContact O-N 3.06Å; L170-P180 HydrophobicContact CD2-CG 4.3Å; L170-T184 HydrophobicContact CD2-CG2 4.22Å; L170-L188 HydrophobicContact CD1-CD1 3.84Å; L170-L188 HydrophobicContact CD1-CD2 4.46Å; L170-L188 HydrophobicContact CD2-CD1 4.16Å; L170-L188 HydrophobicContact CG-CD1 4.47Å; L170-P198 HydrophobicContact CD1-CB 4.21Å; L170-P198 WeakPolarHBondContact CD1-O 3.17Å; L170-K201 HydrophobicContact CB-CG 3.77Å; L170-K201 HydrophobicContact CD1-CB 3.99Å; L170-K201 HydrophobicContact CD1-CG 3.99Å; L170-I205 HydrophobicContact CB-CD1 4.19Å
171E95.4Very high93.2Very high93 Ų9349.3 Ų49.344%0.43525%0.251SS..Hα-helixtrans-68.3-41.5174.8-176.5166.6-152.800111.4V167 Q168 V169 M173 E174 S175V167-E171 WeakPolarHBondContact O-CB 3.18Å; V167-E171 PolarHBondContact O-N 2.91Å; Q168-E171 PolarHBondContact O-N 2.98Å; V169-E171 VanDerWaalsContact C-N 3.34Å; V169-E171 PolarHBondContact O-N 3.38Å; E171-M173 VanDerWaalsContact C-N 3.35Å; E171-M173 PolarHBondContact O-N 3.34Å; E171-E174 WeakPolarHBondContact O-CA 3.37Å; E171-E174 WeakPolarHBondContact O-CB 3.35Å; E171-E174 PolarHBondContact O-N 2.8Å; E171-E174 VanDerWaalsContact O-N 3.14Å; E171-S175 PolarHBondContact O-N 3.36Å; E171-S175 PolarHBondContact O-OG 3.31Å
172Q94.9Very high93.4Very high32 Ų3246.7 Ų46.715%0.1525%0.249CC..Hα-helixtrans-64.3-41173.8-161.9-175.94300111.5L119 Y134 Q168 V169 E174 S175 Y176L119-Q172 PolarHBondContact O-NE2 2.89Å; Y134-Q172 HydrophobicContact CE1-CB 4.42Å; Y134-Q172 PolarHBondContact OH-OE1 3.28Å; Q168-Q172 PolarHBondContact O-N 2.89Å; V169-Q172 PolarHBondContact O-N 3.44Å; Q172-E174 VanDerWaalsContact C-N 3.27Å; Q172-E174 PolarHBondContact O-N 2.99Å; Q172-S175 PolarHBondContact O-N 2.81Å; Q172-Y176 HydrophobicContact CG-CD2 3.77Å; Q172-Y176 HydrophobicContact CG-CE2 3.5Å; Q172-Y176 VanDerWaalsContact O-CD2 3.24Å; Q172-Y176 WeakPolarHBondContact O-CD2 3.43Å; Q172-Y176 PolarHBondContact O-N 3.18Å
173M94.1Very high93.6Very high0 Ų050.5 Ų50.50%027%0.267CS..Hα-helixtrans-57.3-41.7171.5-68.4175.370.500111.7L131 Y134 V169 L170 E171 Y176 G177 I178 P180L131-M173 HydrophobicContact CD1-CE 3.41Å; L131-M173 VanDerWaalsContact CD1-CE 3.41Å; Y134-M173 HydrophobicContact CD1-CG 3.64Å; Y134-M173 HydrophobicContact CD1-SD 4.21Å; Y134-M173 HydrophobicContact CD2-CG 3.77Å; Y134-M173 HydrophobicContact CE1-CG 3.88Å; Y134-M173 HydrophobicContact CE2-CG 4.02Å; Y134-M173 HydrophobicContact CG-CG 3.57Å; Y134-M173 HydrophobicContact CG-SD 3.95Å; V169-M173 WeakPolarHBondContact O-CG 3.37Å; V169-M173 PolarHBondContact O-N 2.9Å; V169-M173 VanDerWaalsContact O-N 3.09Å; L170-M173 HydrophobicContact CD2-SD 4.02Å; E171-M173 VanDerWaalsContact C-N 3.35Å; E171-M173 PolarHBondContact O-N 3.34Å; M173-Y176 PolarHBondContact O-N 3.19Å; M173-G177 PolarHBondContact O-N 3.12Å; M173-G177 VanDerWaalsContact O-N 3.1Å; M173-I178 HydrophobicContact CB-CB 4.28Å; M173-I178 HydrophobicContact CE-CG2 4.01Å; M173-I178 PolarHBondContact O-N 3.19Å; M173-P180 HydrophobicContact CE-CB 3.66Å; M173-P180 HydrophobicContact CE-CG 3.94Å
174E93Very high93.7Very high71 Ų7149.9 Ų49.933%0.33226%0.264SS..Hα-helixtrans-62.9-47.7175153.7163-144.900112.3L170 E171 Q172 Y176 G177 K201 I205 F209L170-E174 PolarHBondContact O-N 3.06Å; E171-E174 WeakPolarHBondContact O-CA 3.37Å; E171-E174 WeakPolarHBondContact O-CB 3.35Å; E171-E174 PolarHBondContact O-N 2.8Å; E171-E174 VanDerWaalsContact O-N 3.14Å; Q172-E174 VanDerWaalsContact C-N 3.27Å; Q172-E174 PolarHBondContact O-N 2.99Å; E174-Y176 VanDerWaalsContact C-N 3.27Å; E174-Y176 PolarHBondContact O-N 3.07Å; E174-G177 PolarHBondContact O-N 3.22Å; E174-K201 WeakPolarHBondContact OE2-CE 3.41Å; E174-K201 IonicContact OE2-NZ 3.14Å; E174-K201 PolarHBondContact OE2-NZ 3.4Å; E174-I205 HydrophobicContact CB-CD1 4.24Å; E174-F209 HydrophobicContact CB-CE1 4.48Å; E174-F209 HydrophobicContact CB-CZ 3.69Å; E174-F209 HydrophobicContact CG-CE1 4.15Å; E174-F209 HydrophobicContact CG-CZ 3.67Å
175S91.8Very high93.8Very high93 Ų9349.5 Ų49.565%0.6526%0.261SS*.Hα-helixtrans-59.6-35.1178.6-63.40000113.1E171 Q172E171-S175 PolarHBondContact O-N 3.36Å; E171-S175 PolarHBondContact O-OG 3.31Å; Q172-S175 PolarHBondContact O-N 2.81Å
176Y90.2Very high93.9Very high62 Ų6252.8 Ų52.824%0.24328%0.281CS..THydrogen-bonded Turntrans-87.8-2.1175.1-68.1-63.5000114.2P123 E128 Q172 M173 E174P123-Y176 WeakPolarHBondContact CG-OH 3.48Å; E128-Y176 HydrophobicContact CB-CD1 4.34Å; E128-Y176 HydrophobicContact CB-CD2 4.03Å; E128-Y176 HydrophobicContact CB-CE1 4.09Å; E128-Y176 HydrophobicContact CB-CE2 3.76Å; E128-Y176 HydrophobicContact CB-CG 4.33Å; E128-Y176 HydrophobicContact CG-CD1 3.83Å; E128-Y176 HydrophobicContact CG-CD2 4.41Å; E128-Y176 HydrophobicContact CG-CE1 3.64Å; E128-Y176 HydrophobicContact CG-CE2 4.25Å; E128-Y176 HydrophobicContact CG-CG 4.23Å; Q172-Y176 HydrophobicContact CG-CD2 3.77Å; Q172-Y176 HydrophobicContact CG-CE2 3.5Å; Q172-Y176 VanDerWaalsContact O-CD2 3.24Å; Q172-Y176 WeakPolarHBondContact O-CD2 3.43Å; Q172-Y176 PolarHBondContact O-N 3.18Å; M173-Y176 PolarHBondContact O-N 3.19Å; E174-Y176 VanDerWaalsContact C-N 3.27Å; E174-Y176 PolarHBondContact O-N 3.07Å
177G87.6Confident93.9Very high55 Ų5553.8 Ų53.857%0.56729%0.286SS*.THydrogen-bonded Turntrans75.324.7177.800000114.5M173 E174M173-G177 PolarHBondContact O-N 3.12Å; M173-G177 VanDerWaalsContact O-N 3.1Å; E174-G177 PolarHBondContact O-N 3.22Å
178I91.2Very high93.9Very high18 Ų1852.2 Ų52.29%0.09228%0.276CS..PPolyproline II helixtrans-87.2125.9-179.8-54.8166.7000109.4E128 L131 Y134 M173 P180E128-I178 VanDerWaalsContact O-CD1 3.22Å; E128-I178 WeakPolarHBondContact O-CD1 3.25Å; L131-I178 HydrophobicContact CB-CG2 4.13Å; L131-I178 HydrophobicContact CD1-CG2 4.05Å; Y134-I178 HydrophobicContact CD2-CD1 3.79Å; Y134-I178 HydrophobicContact CE2-CD1 3.32Å; M173-I178 HydrophobicContact CB-CB 4.28Å; M173-I178 HydrophobicContact CE-CG2 4.01Å; M173-I178 PolarHBondContact O-N 3.19Å; I178-P180 WeakPolarHBondContact O-CD 3.27Å
179M91.9Very high93.8Very high112 Ų11251 Ų5155%0.55227%0.273SS*.PPolyproline II helixtrans-82.6123.5174.7-166.3172.271.300110.1M206M179-M206 HydrophobicContact CG-SD 4Å; M179-M206 HydrophobicContact SD-SD 4.43Å
180P94.4Very high93.7Very high2 Ų254.5 Ų54.51%0.01329%0.29CS..PPolyproline II helixtrans-69.5146.7176.3-0.612.1000111.5L170 M173 I178 T184 Y202 I205L170-P180 HydrophobicContact CD2-CG 4.3Å; M173-P180 HydrophobicContact CE-CB 3.66Å; M173-P180 HydrophobicContact CE-CG 3.94Å; I178-P180 WeakPolarHBondContact O-CD 3.27Å; P180-T184 HydrophobicContact CB-CG2 3.85Å; P180-Y202 HydrophobicContact CB-CD2 3.74Å; P180-Y202 HydrophobicContact CB-CE2 3.75Å; P180-Y202 HydrophobicContact CG-CD2 3.95Å; P180-Y202 HydrophobicContact CG-CE2 4.26Å; P180-I205 HydrophobicContact CG-CG2 4.1Å
181N94.1Very high93.5Very high44 Ų4454.5 Ų54.524%0.23529%0.29CS..  trans-96.7-175.9-176.8690.6000112.7L131 N135 E183 T184 K185L131-N181 HydrophobicContact CD2-CB 3.81Å; N135-N181 PolarHBondContact ND2-ND2 3.43Å; N135-N181 PolarHBondContact ND2-OD1 3.27Å; N135-N181 VanDerWaalsContact ND2-OD1 3.14Å; N181-E183 VanDerWaalsContact C-N 3.26Å; N181-E183 PolarHBondContact ND2-OE2 3.5Å; N181-E183 PolarHBondContact O-N 3.36Å; N181-E183 WeakPolarHBondContact OD1-CA 3.49Å; N181-E183 VanDerWaalsContact OD1-CB 3.32Å; N181-E183 WeakPolarHBondContact OD1-CB 3.49Å; N181-E183 PolarHBondContact OD1-N 2.58Å; N181-E183 VanDerWaalsContact OD1-N 3.13Å; N181-T184 PolarHBondContact N-OG1 3.47Å; N181-T184 WeakPolarHBondContact O-CB 3.47Å; N181-T184 PolarHBondContact O-N 2.93Å; N181-T184 PolarHBondContact OD1-N 2.87Å; N181-T184 PolarHBondContact OD1-OG1 3.33Å; N181-K185 PolarHBondContact O-N 2.91Å
182I94.3Very high93.3Very high133 Ų13350.3 Ų50.368%0.68227%0.27SS*.Hα-helixtrans-63.4-35.9175.3-61.2168.6000110.5K185 V186I182-K185 WeakPolarHBondContact O-CB 3.27Å; I182-K185 PolarHBondContact O-N 2.92Å; I182-V186 HydrophobicContact CG2-CG2 4.47Å; I182-V186 WeakPolarHBondContact O-CG2 3.09Å; I182-V186 PolarHBondContact O-N 3.03Å
183E95.6Very high93.1Very high119 Ų11949.1 Ų49.156%0.55627%0.267SS*.Hα-helixtrans-63.8-43.1177.2-52.8172.1156.800111.2N135 N181 K185 V186 L187N135-E183 PolarHBondContact ND2-OE2 3.13Å; N181-E183 VanDerWaalsContact C-N 3.26Å; N181-E183 PolarHBondContact ND2-OE2 3.5Å; N181-E183 PolarHBondContact O-N 3.36Å; N181-E183 WeakPolarHBondContact OD1-CA 3.49Å; N181-E183 VanDerWaalsContact OD1-CB 3.32Å; N181-E183 WeakPolarHBondContact OD1-CB 3.49Å; N181-E183 PolarHBondContact OD1-N 2.58Å; N181-E183 VanDerWaalsContact OD1-N 3.13Å; E183-K185 VanDerWaalsContact C-N 3.26Å; E183-K185 PolarHBondContact O-N 3.29Å; E183-V186 PolarHBondContact O-N 3.12Å; E183-V186 VanDerWaalsContact O-N 3.1Å; E183-L187 WeakPolarHBondContact O-CG 3.36Å; E183-L187 PolarHBondContact O-N 3.24Å
184T94.7Very high92.9Very high0 Ų055.9 Ų55.90%030%0.299CS..Hα-helixtrans-55.8-44.9174.1-44.90000110.2N135 L138 L170 P180 N181 L187 L188N135-T184 WeakPolarHBondContact OD1-CB 3.47Å; N135-T184 PolarHBondContact OD1-OG1 3.37Å; L138-T184 HydrophobicContact CD1-CG2 3.58Å; L170-T184 HydrophobicContact CD2-CG2 4.22Å; P180-T184 HydrophobicContact CB-CG2 3.85Å; N181-T184 PolarHBondContact N-OG1 3.47Å; N181-T184 WeakPolarHBondContact O-CB 3.47Å; N181-T184 PolarHBondContact O-N 2.93Å; N181-T184 PolarHBondContact OD1-N 2.87Å; N181-T184 PolarHBondContact OD1-OG1 3.33Å; T184-L187 PolarHBondContact O-N 2.79Å; T184-L188 HydrophobicContact CG2-CD1 4.13Å; T184-L188 HydrophobicContact CG2-CG 4.44Å; T184-L188 WeakPolarHBondContact O-CB 3.38Å; T184-L188 WeakPolarHBondContact O-CG 3.26Å; T184-L188 PolarHBondContact O-N 3.1Å
185K94.9Very high92.6Very high103 Ų10358.2 Ų58.245%0.44831%0.308SS..Hα-helixtrans-59.6-48.5175.8-175.2-173.8174.6-176.40111.6N181 I182 E183 L187 L188 V189 Y202N181-K185 PolarHBondContact O-N 2.91Å; I182-K185 WeakPolarHBondContact O-CB 3.27Å; I182-K185 PolarHBondContact O-N 2.92Å; E183-K185 VanDerWaalsContact C-N 3.26Å; E183-K185 PolarHBondContact O-N 3.29Å; K185-L187 VanDerWaalsContact C-N 3.35Å; K185-L187 PolarHBondContact O-N 2.81Å; K185-L188 PolarHBondContact O-N 2.95Å; K185-V189 HydrophobicContact CG-CG2 4.5Å; K185-V189 WeakPolarHBondContact O-CG2 3.04Å; K185-V189 PolarHBondContact O-N 3.02Å; K185-Y202 HydrophobicContact CB-CE1 3.89Å; K185-Y202 HydrophobicContact CB-CE2 4.05Å; K185-Y202 HydrophobicContact CD-CE1 3.9Å; K185-Y202 HydrophobicContact CG-CD1 4.36Å; K185-Y202 HydrophobicContact CG-CE1 3.82Å
186V95.8Very high92.5Very high69 Ų6954.1 Ų54.142%0.41828%0.279SS..Hα-helixtrans-60.5-45.8-179.2172.40000110.5I182 E183 V189 Q190I182-V186 HydrophobicContact CG2-CG2 4.47Å; I182-V186 WeakPolarHBondContact O-CG2 3.09Å; I182-V186 PolarHBondContact O-N 3.03Å; E183-V186 PolarHBondContact O-N 3.12Å; E183-V186 VanDerWaalsContact O-N 3.1Å; V186-V189 PolarHBondContact O-N 3.05Å; V186-Q190 HydrophobicContact CG1-CG 4.4Å; V186-Q190 WeakPolarHBondContact O-CB 3.47Å; V186-Q190 VanDerWaalsContact O-CG 3.32Å; V186-Q190 WeakPolarHBondContact O-CG 3.32Å; V186-Q190 PolarHBondContact O-N 3.37Å
187L94.9Very high92.6Very high21 Ų2154.3 Ų54.311%0.1128%0.282CS..Hα-helixtrans-58.6-50.2176.1-72171.8000111.3N135 L138 D139 E183 T184 K185 V189 Q190 I191N135-L187 HydrophobicContact CB-CD1 4.11Å; N135-L187 WeakPolarHBondContact O-CD1 3.45Å; L138-L187 HydrophobicContact CB-CD1 4.29Å; D139-L187 HydrophobicContact CB-CD2 4.39Å; E183-L187 WeakPolarHBondContact O-CG 3.36Å; E183-L187 PolarHBondContact O-N 3.24Å; T184-L187 PolarHBondContact O-N 2.79Å; K185-L187 VanDerWaalsContact C-N 3.35Å; K185-L187 PolarHBondContact O-N 2.81Å; L187-V189 VanDerWaalsContact C-N 3.31Å; L187-V189 PolarHBondContact O-N 3.22Å; L187-Q190 PolarHBondContact O-N 3.47Å; L187-Q190 VanDerWaalsContact O-N 3.17Å; L187-I191 HydrophobicContact CB-CD1 4.21Å; L187-I191 WeakPolarHBondContact O-CB 3.36Å; L187-I191 VanDerWaalsContact O-CD1 3.26Å; L187-I191 WeakPolarHBondContact O-CD1 3.47Å; L187-I191 WeakPolarHBondContact O-CG1 3.36Å; L187-I191 PolarHBondContact O-N 2.99Å
188L94.6Very high92.9Very high0 Ų051.7 Ų51.70%026%0.255CS..Hα-helixtrans-61.1-38.9179.9-69.6173.2000112.7L138 L170 T184 K185 F192 G193 P198 I199 Y202L138-L188 HydrophobicContact CD1-CD2 4.23Å; L138-L188 HydrophobicContact CD1-CG 4.45Å; L138-L188 HydrophobicContact CD2-CD2 4.04Å; L170-L188 HydrophobicContact CD1-CD1 3.84Å; L170-L188 HydrophobicContact CD1-CD2 4.46Å; L170-L188 HydrophobicContact CD2-CD1 4.16Å; L170-L188 HydrophobicContact CG-CD1 4.47Å; T184-L188 HydrophobicContact CG2-CD1 4.13Å; T184-L188 HydrophobicContact CG2-CG 4.44Å; T184-L188 WeakPolarHBondContact O-CB 3.38Å; T184-L188 WeakPolarHBondContact O-CG 3.26Å; T184-L188 PolarHBondContact O-N 3.1Å; K185-L188 PolarHBondContact O-N 2.95Å; L188-F192 HydrophobicContact CD2-CD2 4.1Å; L188-F192 HydrophobicContact CD2-CE2 4.14Å; L188-F192 PolarHBondContact O-N 2.87Å; L188-G193 PolarHBondContact O-N 3.25Å; L188-P198 HydrophobicContact CD2-CB 3.78Å; L188-I199 HydrophobicContact CB-CD1 3.36Å; L188-I199 HydrophobicContact CB-CG1 4Å; L188-I199 HydrophobicContact CD1-CD1 4.23Å; L188-I199 HydrophobicContact CG-CD1 4.48Å; L188-Y202 HydrophobicContact CD1-CD2 4.39Å; L188-Y202 HydrophobicContact CD1-CG 4.32Å
189V94.1Very high93.1Very high43 Ų4351 Ų5126%0.26125%0.251SS..Hα-helixtrans-66.5-44175.7172.80000110.5K185 V186 L187 G193 E194 I199K185-V189 HydrophobicContact CG-CG2 4.5Å; K185-V189 WeakPolarHBondContact O-CG2 3.04Å; K185-V189 PolarHBondContact O-N 3.02Å; V186-V189 PolarHBondContact O-N 3.05Å; L187-V189 VanDerWaalsContact C-N 3.31Å; L187-V189 PolarHBondContact O-N 3.22Å; V189-G193 WeakPolarHBondContact O-CA 3.47Å; V189-G193 PolarHBondContact O-N 2.96Å; V189-E194 HydrophobicContact CG1-CG 3.87Å; V189-E194 HydrophobicContact CG2-CG 4.41Å; V189-I199 HydrophobicContact CG2-CD1 3.55Å; V189-I199 HydrophobicContact CG2-CG1 4.2Å
190Q93.6Very high93.2Very high75 Ų7551.5 Ų51.535%0.3525%0.247SC..Hα-helixtrans-65.7-37.5178.7-74.1177.4-1300112.5E144 V186 L187E144-Q190 WeakPolarHBondContact CA-O 3.28Å; E144-Q190 PolarHBondContact N-O 3.21Å; V186-Q190 HydrophobicContact CG1-CG 4.4Å; V186-Q190 WeakPolarHBondContact O-CB 3.47Å; V186-Q190 VanDerWaalsContact O-CG 3.32Å; V186-Q190 WeakPolarHBondContact O-CG 3.32Å; V186-Q190 PolarHBondContact O-N 3.37Å; L187-Q190 PolarHBondContact O-N 3.47Å; L187-Q190 VanDerWaalsContact O-N 3.17Å
191I91.8Very high93.2Very high0 Ų053.3 Ų53.30%026%0.255CS..Hα-helixtrans-79.3-54.2-176.4-64.3157.7000111L138 F141 F146 L187L138-I191 HydrophobicContact CB-CD1 4.45Å; L138-I191 WeakPolarHBondContact O-CD1 3.35Å; F141-I191 HydrophobicContact CB-CB 4.42Å; F141-I191 HydrophobicContact CB-CD1 3.94Å; F141-I191 HydrophobicContact CB-CG1 4.04Å; F141-I191 HydrophobicContact CB-CG2 3.46Å; F141-I191 VanDerWaalsContact CB-CG2 3.46Å; F141-I191 HydrophobicContact CD2-CD1 4.41Å; F141-I191 HydrophobicContact CD2-CG2 4.47Å; F141-I191 HydrophobicContact CG-CG2 3.96Å; F146-I191 WeakPolarHBondContact CB-O 3.37Å; F146-I191 HydrophobicContact CD2-CG2 3.78Å; F146-I191 HydrophobicContact CE2-CG2 4.29Å; F146-I191 PolarHBondContact N-O 2.98Å; L187-I191 HydrophobicContact CB-CD1 4.21Å; L187-I191 WeakPolarHBondContact O-CB 3.36Å; L187-I191 VanDerWaalsContact O-CD1 3.26Å; L187-I191 WeakPolarHBondContact O-CD1 3.47Å; L187-I191 WeakPolarHBondContact O-CG1 3.36Å; L187-I191 PolarHBondContact O-N 2.99Å
192F91.3Very high93.3Very high4 Ų452.1 Ų52.12%0.01825%0.247CC..Hα-helixtrans-110.1-18-168.8-58.7-72.4000114.2F141 F146 Q162 Q163 L188 S196 P198F141-F192 HydrophobicContact CD1-CZ 4.18Å; F141-F192 HydrophobicContact CD2-CE2 4.5Å; F141-F192 HydrophobicContact CD2-CZ 4.24Å; F141-F192 HydrophobicContact CE1-CZ 4.06Å; F141-F192 HydrophobicContact CE2-CZ 4.12Å; F141-F192 HydrophobicContact CG-CZ 4.27Å; F141-F192 HydrophobicContact CZ-CZ 4.03Å; F146-F192 HydrophobicContact CB-CD1 4.05Å; F146-F192 HydrophobicContact CD2-CD1 4.27Å; F146-F192 HydrophobicContact CD2-CE1 4.08Å; Q162-F192 HydrophobicContact CB-CE1 4.04Å; Q162-F192 WeakPolarHBondContact O-CE1 3.34Å; Q162-F192 WeakPolarHBondContact O-CZ 3.27Å; Q163-F192 HydrophobicContact CG-CD1 3.87Å; Q163-F192 HydrophobicContact CG-CE1 4.25Å; L188-F192 HydrophobicContact CD2-CD2 4.1Å; L188-F192 HydrophobicContact CD2-CE2 4.14Å; L188-F192 PolarHBondContact O-N 2.87Å; F192-S196 VanDerWaalsContact CB-CB 3.48Å; F192-S196 WeakPolarHBondContact CB-OG 3.48Å; F192-S196 WeakPolarHBondContact O-CB 3.37Å; F192-P198 HydrophobicContact CD1-CG 4.44Å; F192-P198 HydrophobicContact CD2-CB 3.95Å; F192-P198 HydrophobicContact CD2-CG 3.72Å; F192-P198 HydrophobicContact CE2-CB 4.26Å; F192-P198 HydrophobicContact CE2-CG 3.92Å; F192-P198 HydrophobicContact CG-CG 4Å; F192-P198 HydrophobicContact CZ-CG 4.36Å
193G91.1Very high93.3Very high8 Ų850.9 Ų50.98%0.08224%0.239CC..  trans89.9161.8-175.700000113.9L188 V189 K195 S196 I199L188-G193 PolarHBondContact O-N 3.25Å; V189-G193 WeakPolarHBondContact O-CA 3.47Å; V189-G193 PolarHBondContact O-N 2.96Å; G193-K195 VanDerWaalsContact C-N 3.27Å; G193-K195 PolarHBondContact O-N 2.78Å; G193-S196 WeakPolarHBondContact O-CB 3.26Å; G193-S196 PolarHBondContact O-N 3.49Å; G193-S196 PolarHBondContact O-OG 3.44Å; G193-I199 WeakPolarHBondContact O-CG1 3.49Å
194E89.8Confident93.3Very high141 Ų14153.3 Ų53.366%0.65924%0.242SC*.THydrogen-bonded Turntrans-61.5-27.3-172.5-62.6-176.4159.800115.3V189 I199V189-E194 HydrophobicContact CG1-CG 3.87Å; V189-E194 HydrophobicContact CG2-CG 4.41Å; E194-I199 WeakPolarHBondContact O-CG2 3.48Å
195K86.4Confident93.2Very high121 Ų12153.4 Ų53.453%0.52624%0.243SC..THydrogen-bonded Turntrans-105.617.9-173.9-66.3179.6177.7-179.50112.9R154 G193R154-K195 HydrophobicContact CG-CB 4.38Å; G193-K195 VanDerWaalsContact C-N 3.27Å; G193-K195 PolarHBondContact O-N 2.78Å
196S90.1Very high93.2Very high6 Ų651.8 Ų51.84%0.04224%0.238CC..SBendtrans-81.4162.5179.864.80000113F192 G193 I199 R200F192-S196 VanDerWaalsContact CB-CB 3.48Å; F192-S196 WeakPolarHBondContact CB-OG 3.48Å; F192-S196 WeakPolarHBondContact O-CB 3.37Å; G193-S196 WeakPolarHBondContact O-CB 3.26Å; G193-S196 PolarHBondContact O-N 3.49Å; G193-S196 PolarHBondContact O-OG 3.44Å; S196-I199 PolarHBondContact O-N 3.33Å; S196-R200 PolarHBondContact O-N 3.09Å
197H92.3Very high93.1Very high66 Ų6654.4 Ų54.431%0.30624%0.241SC..Hα-helixtrans-64.1-41176.7-67.6-59.5000113.8N157 Q163 V167 I199 R200 K201N157-H197 PolarHBondContact OD1-NE2 3.48Å; Q163-H197 PolarHBondContact OE1-CD2 3.37Å; Q163-H197 VanDerWaalsContact OE1-N 3.12Å; V167-H197 HydrophobicContact CG2-CB 4.18Å; H197-I199 VanDerWaalsContact C-N 3.32Å; H197-I199 PolarHBondContact O-N 3.38Å; H197-R200 WeakPolarHBondContact O-CB 3.12Å; H197-R200 PolarHBondContact O-N 3.21Å; H197-R200 VanDerWaalsContact O-N 3.12Å; H197-K201 PolarHBondContact O-N 3.27Å
198P94.1Very high92.9Very high0 Ų059 Ų590%026%0.257CS..Hα-helixtrans-57.7-41.5174.4-28.136.8000113.2Q163 V167 L170 L188 F192 R200 K201 Y202Q163-P198 HydrophobicContact CB-CG 4.36Å; Q163-P198 WeakPolarHBondContact O-CG 3.2Å; V167-P198 HydrophobicContact CG2-CG 4.14Å; L170-P198 HydrophobicContact CD1-CB 4.21Å; L170-P198 WeakPolarHBondContact CD1-O 3.17Å; L188-P198 HydrophobicContact CD2-CB 3.78Å; F192-P198 HydrophobicContact CD1-CG 4.44Å; F192-P198 HydrophobicContact CD2-CB 3.95Å; F192-P198 HydrophobicContact CD2-CG 3.72Å; F192-P198 HydrophobicContact CE2-CB 4.26Å; F192-P198 HydrophobicContact CE2-CG 3.92Å; F192-P198 HydrophobicContact CG-CG 4Å; F192-P198 HydrophobicContact CZ-CG 4.36Å; P198-R200 PolarHBondContact O-N 3.24Å; P198-K201 PolarHBondContact O-N 3.33Å; P198-Y202 PolarHBondContact O-N 2.99Å
199I94.8Very high92.7Very high4 Ų461.5 Ų61.52%0.02127%0.268CS..Hα-helixtrans-64.8-39.5175.6-72.8-67.9000111.9L188 V189 G193 E194 S196 H197 K201 Y202 Q203L188-I199 HydrophobicContact CB-CD1 3.36Å; L188-I199 HydrophobicContact CB-CG1 4Å; L188-I199 HydrophobicContact CD1-CD1 4.23Å; L188-I199 HydrophobicContact CG-CD1 4.48Å; V189-I199 HydrophobicContact CG2-CD1 3.55Å; V189-I199 HydrophobicContact CG2-CG1 4.2Å; G193-I199 WeakPolarHBondContact O-CG1 3.49Å; E194-I199 WeakPolarHBondContact O-CG2 3.48Å; S196-I199 PolarHBondContact O-N 3.33Å; H197-I199 VanDerWaalsContact C-N 3.32Å; H197-I199 PolarHBondContact O-N 3.38Å; I199-K201 VanDerWaalsContact C-N 3.34Å; I199-K201 PolarHBondContact O-N 2.74Å; I199-Y202 WeakPolarHBondContact O-CB 3.39Å; I199-Y202 PolarHBondContact O-N 2.78Å; I199-Q203 HydrophobicContact CG2-CG 4.34Å; I199-Q203 WeakPolarHBondContact O-CB 3.34Å; I199-Q203 VanDerWaalsContact O-CG 3.27Å; I199-Q203 WeakPolarHBondContact O-CG 3.49Å; I199-Q203 PolarHBondContact O-N 2.91Å
200R94.1Very high92.5Very high122 Ų12262.7 Ų62.746%0.4628%0.277SS..Hα-helixtrans-63.5-40.1175-71176.2175.3174.4-2.7111.9S196 H197 P198 Q203 R204S196-R200 PolarHBondContact O-N 3.09Å; H197-R200 WeakPolarHBondContact O-CB 3.12Å; H197-R200 PolarHBondContact O-N 3.21Å; H197-R200 VanDerWaalsContact O-N 3.12Å; P198-R200 PolarHBondContact O-N 3.24Å; R200-Q203 PolarHBondContact O-N 2.7Å; R200-R204 WeakPolarHBondContact O-CG 3.38Å; R200-R204 PolarHBondContact O-N 3.15Å
201K95Very high92.3Very high41 Ų4164.3 Ų64.318%0.17828%0.283CS..Hα-helixtrans-61.9-47.8173.6179.168.2162.8-175.50110.8V167 L170 E174 H197 P198 I199 Q203 R204 I205V167-K201 HydrophobicContact CG1-CG 4.39Å; L170-K201 HydrophobicContact CB-CG 3.77Å; L170-K201 HydrophobicContact CD1-CB 3.99Å; L170-K201 HydrophobicContact CD1-CG 3.99Å; E174-K201 WeakPolarHBondContact OE2-CE 3.41Å; E174-K201 IonicContact OE2-NZ 3.14Å; E174-K201 PolarHBondContact OE2-NZ 3.4Å; H197-K201 PolarHBondContact O-N 3.27Å; P198-K201 PolarHBondContact O-N 3.33Å; I199-K201 VanDerWaalsContact C-N 3.34Å; I199-K201 PolarHBondContact O-N 2.74Å; K201-Q203 VanDerWaalsContact C-N 3.33Å; K201-Q203 PolarHBondContact O-N 3.44Å; K201-R204 WeakPolarHBondContact O-CB 3.23Å; K201-R204 PolarHBondContact O-N 3.11Å; K201-R204 VanDerWaalsContact O-N 3.14Å; K201-I205 HydrophobicContact CD-CD1 4.4Å; K201-I205 HydrophobicContact CG-CD1 4.15Å; K201-I205 WeakPolarHBondContact O-CG1 3.46Å; K201-I205 PolarHBondContact O-N 3.47Å
202Y95.9Very high92.1Very high19 Ų1970.1 Ų70.18%0.07531%0.308CS..Hα-helixtrans-54.6-46.7173.4168.8-89.2000112.1P180 K185 L188 P198 I199 R204 I205 M206P180-Y202 HydrophobicContact CB-CD2 3.74Å; P180-Y202 HydrophobicContact CB-CE2 3.75Å; P180-Y202 HydrophobicContact CG-CD2 3.95Å; P180-Y202 HydrophobicContact CG-CE2 4.26Å; K185-Y202 HydrophobicContact CB-CE1 3.89Å; K185-Y202 HydrophobicContact CB-CE2 4.05Å; K185-Y202 HydrophobicContact CD-CE1 3.9Å; K185-Y202 HydrophobicContact CG-CD1 4.36Å; K185-Y202 HydrophobicContact CG-CE1 3.82Å; L188-Y202 HydrophobicContact CD1-CD2 4.39Å; L188-Y202 HydrophobicContact CD1-CG 4.32Å; P198-Y202 PolarHBondContact O-N 2.99Å; I199-Y202 WeakPolarHBondContact O-CB 3.39Å; I199-Y202 PolarHBondContact O-N 2.78Å; Y202-R204 VanDerWaalsContact C-N 3.34Å; Y202-R204 PolarHBondContact O-N 3.05Å; Y202-I205 PolarHBondContact O-N 3.35Å; Y202-M206 HydrophobicContact CD1-CG 4.27Å; Y202-M206 HydrophobicContact CD2-CG 4.31Å; Y202-M206 HydrophobicContact CE1-CG 3.77Å; Y202-M206 HydrophobicContact CE2-CG 3.83Å; Y202-M206 HydrophobicContact CE2-SD 4.36Å; Y202-M206 WeakPolarHBondContact O-CB 3.49Å; Y202-M206 WeakPolarHBondContact O-CG 2.99Å; Y202-M206 PolarHBondContact O-N 3.05Å
203Q94.8Very high91.8Very high107 Ų10777.4 Ų77.450%0.534%0.34SS..Hα-helixtrans-61.9-40.6178-73.7169.3-9.900112.2I199 R200 K201 M206 Y207I199-Q203 HydrophobicContact CG2-CG 4.34Å; I199-Q203 WeakPolarHBondContact O-CB 3.34Å; I199-Q203 VanDerWaalsContact O-CG 3.27Å; I199-Q203 WeakPolarHBondContact O-CG 3.49Å; I199-Q203 PolarHBondContact O-N 2.91Å; R200-Q203 PolarHBondContact O-N 2.7Å; K201-Q203 VanDerWaalsContact C-N 3.33Å; K201-Q203 PolarHBondContact O-N 3.44Å; Q203-M206 PolarHBondContact O-N 2.79Å; Q203-Y207 VanDerWaalsContact O-CB 3.25Å; Q203-Y207 WeakPolarHBondContact O-CB 3.49Å; Q203-Y207 PolarHBondContact O-N 3.13Å
204R95.1Very high91.4Very high169 Ų16984 Ų8464%0.63837%0.368SS*.Hα-helixtrans-63.2-46.4175.8-73.8176.6-176.7-168.61.1111.4R200 K201 Y202 Y207 W208R200-R204 WeakPolarHBondContact O-CG 3.38Å; R200-R204 PolarHBondContact O-N 3.15Å; K201-R204 WeakPolarHBondContact O-CB 3.23Å; K201-R204 PolarHBondContact O-N 3.11Å; K201-R204 VanDerWaalsContact O-N 3.14Å; Y202-R204 VanDerWaalsContact C-N 3.34Å; Y202-R204 PolarHBondContact O-N 3.05Å; R204-Y207 PolarHBondContact O-N 2.92Å; R204-W208 WeakPolarHBondContact O-CB 3.39Å; R204-W208 VanDerWaalsContact O-CD1 3.29Å; R204-W208 PolarHBondContact O-N 2.95Å
205I93.9Very high91.3Very high3 Ų381.9 Ų81.92%0.01537%0.365CS..Hα-helixtrans-57.9-52.3176.3-66.9168.3000109.6L170 E174 P180 K201 Y202 Y207 W208 F209L170-I205 HydrophobicContact CB-CD1 4.19Å; E174-I205 HydrophobicContact CB-CD1 4.24Å; P180-I205 HydrophobicContact CG-CG2 4.1Å; K201-I205 HydrophobicContact CD-CD1 4.4Å; K201-I205 HydrophobicContact CG-CD1 4.15Å; K201-I205 WeakPolarHBondContact O-CG1 3.46Å; K201-I205 PolarHBondContact O-N 3.47Å; Y202-I205 PolarHBondContact O-N 3.35Å; I205-Y207 PolarHBondContact O-N 3.33Å; I205-W208 PolarHBondContact O-N 2.95Å; I205-F209 HydrophobicContact CG1-CE1 4.43Å; I205-F209 HydrophobicContact CG2-CD1 4.06Å; I205-F209 HydrophobicContact CG2-CD2 3.72Å; I205-F209 HydrophobicContact CG2-CE1 4.12Å; I205-F209 HydrophobicContact CG2-CE2 3.78Å; I205-F209 HydrophobicContact CG2-CG 3.88Å; I205-F209 HydrophobicContact CG2-CZ 3.99Å; I205-F209 VanDerWaalsContact O-CB 3.26Å; I205-F209 WeakPolarHBondContact O-CB 3.24Å; I205-F209 PolarHBondContact O-N 2.99Å
206M93.8Very high91.1Very high69 Ų6979.6 Ų79.634%0.3436%0.358SS..Hα-helixtrans-63.4-27.1-179.4-72.8-60.2-66.900114.1M179 Y202 Q203 P210M179-M206 HydrophobicContact CG-SD 4Å; M179-M206 HydrophobicContact SD-SD 4.43Å; Y202-M206 HydrophobicContact CD1-CG 4.27Å; Y202-M206 HydrophobicContact CD2-CG 4.31Å; Y202-M206 HydrophobicContact CE1-CG 3.77Å; Y202-M206 HydrophobicContact CE2-CG 3.83Å; Y202-M206 HydrophobicContact CE2-SD 4.36Å; Y202-M206 WeakPolarHBondContact O-CB 3.49Å; Y202-M206 WeakPolarHBondContact O-CG 2.99Å; Y202-M206 PolarHBondContact O-N 3.05Å; Q203-M206 PolarHBondContact O-N 2.79Å; M206-P210 VanDerWaalsContact O-CD 3.29Å; M206-P210 WeakPolarHBondContact O-CD 3.46Å; M206-P210 WeakPolarHBondContact O-CG 3.38Å
207Y93.1Very high90.9Very high123 Ų12384.1 Ų84.148%0.48239%0.387SS..Hα-helixtrans-83-44.5177.4179.2-98.6000112.6Q203 R204 I205 K211Q203-Y207 VanDerWaalsContact O-CB 3.25Å; Q203-Y207 WeakPolarHBondContact O-CB 3.49Å; Q203-Y207 PolarHBondContact O-N 3.13Å; R204-Y207 PolarHBondContact O-N 2.92Å; I205-Y207 PolarHBondContact O-N 3.33Å; Y207-K211 HydrophobicContact CE1-CD 4.3Å; Y207-K211 WeakPolarHBondContact O-CG 3.42Å; Y207-K211 PolarHBondContact OH-NZ 3.39Å
208W92.2Very high90.6Very high119 Ų11987.9 Ų87.945%0.45140%0.403SS..Hα-helixtrans-87-39.2-172.1-73.2120.3000113.6R204 I205 K211 F212R204-W208 WeakPolarHBondContact O-CB 3.39Å; R204-W208 VanDerWaalsContact O-CD1 3.29Å; R204-W208 PolarHBondContact O-N 2.95Å; I205-W208 PolarHBondContact O-N 2.95Å; W208-K211 HydrophobicContact CE3-CD 4.38Å; W208-K211 WeakPolarHBondContact O-CB 3.5Å; W208-K211 PolarHBondContact O-N 3.09Å; W208-F212 HydrophobicContact CB-CD2 3.93Å; W208-F212 HydrophobicContact CB-CE2 3.76Å; W208-F212 AromaticContact CD2-CE2 3.91Å; W208-F212 HydrophobicContact CD2-CE2 3.91Å; W208-F212 HydrophobicContact CD2-CZ 4.3Å; W208-F212 HydrophobicContact CE3-CD2 4.4Å; W208-F212 HydrophobicContact CE3-CE1 4.48Å; W208-F212 AromaticContact CE3-CE2 3.5Å; W208-F212 HydrophobicContact CE3-CE2 3.5Å; W208-F212 VanDerWaalsContact CE3-CE2 3.5Å; W208-F212 AromaticContact CE3-CZ 3.53Å; W208-F212 HydrophobicContact CE3-CZ 3.53Å; W208-F212 HydrophobicContact CG-CE2 4.06Å; W208-F212 HydrophobicContact CZ3-CE2 4.35Å; W208-F212 AromaticContact CZ3-CZ 3.93Å; W208-F212 HydrophobicContact CZ3-CZ 3.93Å; W208-F212 VanDerWaalsContact O-CD2 3.28Å; W208-F212 WeakPolarHBondContact O-CD2 3.32Å; W208-F212 PolarHBondContact O-N 3.37Å
209F90.3Very high90.1Very high51 Ų5193 Ų9322%0.22444%0.437CS..Hα-helixtrans-60.3-46.3-174.6-81.326.9000113.3E174 I205 K211 F212 K213E174-F209 HydrophobicContact CB-CE1 4.48Å; E174-F209 HydrophobicContact CB-CZ 3.69Å; E174-F209 HydrophobicContact CG-CE1 4.15Å; E174-F209 HydrophobicContact CG-CZ 3.67Å; I205-F209 HydrophobicContact CG1-CE1 4.43Å; I205-F209 HydrophobicContact CG2-CD1 4.06Å; I205-F209 HydrophobicContact CG2-CD2 3.72Å; I205-F209 HydrophobicContact CG2-CE1 4.12Å; I205-F209 HydrophobicContact CG2-CE2 3.78Å; I205-F209 HydrophobicContact CG2-CG 3.88Å; I205-F209 HydrophobicContact CG2-CZ 3.99Å; I205-F209 VanDerWaalsContact O-CB 3.26Å; I205-F209 WeakPolarHBondContact O-CB 3.24Å; I205-F209 PolarHBondContact O-N 2.99Å; F209-K211 PolarHBondContact O-N 3.49Å; F209-F212 PolarHBondContact O-N 3.39Å; F209-K213 WeakPolarHBondContact O-CB 3.06Å; F209-K213 PolarHBondContact O-N 3.14Å
210P90.2Very high89.7Confident69 Ų6994.2 Ų94.245%0.44844%0.444SS..Hα-helixtrans-62.1-31177-23.835.8000112.8M206M206-P210 VanDerWaalsContact O-CD 3.29Å; M206-P210 WeakPolarHBondContact O-CD 3.46Å; M206-P210 WeakPolarHBondContact O-CG 3.38Å
211K89.4Confident89.4Confident108 Ų10891.3 Ų91.347%0.4744%0.441SS..Hα-helixtrans-72.9-39.8178.2-65.1-175.3177-154.10111.7Y207 W208 F209 V215Y207-K211 HydrophobicContact CE1-CD 4.3Å; Y207-K211 WeakPolarHBondContact O-CG 3.42Å; Y207-K211 PolarHBondContact OH-NZ 3.39Å; W208-K211 HydrophobicContact CE3-CD 4.38Å; W208-K211 WeakPolarHBondContact O-CB 3.5Å; W208-K211 PolarHBondContact O-N 3.09Å; F209-K211 PolarHBondContact O-N 3.49Å; K211-V215 VanDerWaalsContact O-CG2 3.25Å; K211-V215 WeakPolarHBondContact O-CG2 3.35Å
212F87.4Confident88.8Confident123 Ų12397.5 Ų97.554%0.53947%0.47SS..Hα-helixtrans-83.6-17.9-179.3-65.6-50.1000114.3W208 F209 H214 V215W208-F212 HydrophobicContact CB-CD2 3.93Å; W208-F212 HydrophobicContact CB-CE2 3.76Å; W208-F212 AromaticContact CD2-CE2 3.91Å; W208-F212 HydrophobicContact CD2-CE2 3.91Å; W208-F212 HydrophobicContact CD2-CZ 4.3Å; W208-F212 HydrophobicContact CE3-CD2 4.4Å; W208-F212 HydrophobicContact CE3-CE1 4.48Å; W208-F212 AromaticContact CE3-CE2 3.5Å; W208-F212 HydrophobicContact CE3-CE2 3.5Å; W208-F212 VanDerWaalsContact CE3-CE2 3.5Å; W208-F212 AromaticContact CE3-CZ 3.53Å; W208-F212 HydrophobicContact CE3-CZ 3.53Å; W208-F212 HydrophobicContact CG-CE2 4.06Å; W208-F212 HydrophobicContact CZ3-CE2 4.35Å; W208-F212 AromaticContact CZ3-CZ 3.93Å; W208-F212 HydrophobicContact CZ3-CZ 3.93Å; W208-F212 VanDerWaalsContact O-CD2 3.28Å; W208-F212 WeakPolarHBondContact O-CD2 3.32Å; W208-F212 PolarHBondContact O-N 3.37Å; F209-F212 PolarHBondContact O-N 3.39Å; F212-H214 PolarHBondContact O-N 2.88Å; F212-V215 HydrophobicContact CD1-CG2 4.02Å; F212-V215 PolarHBondContact O-N 3.49Å
213K83.4Confident88.3Confident157 Ų157102.1 Ų102.168%0.68350%0.502SS*.THydrogen-bonded Turntrans-52.8-34.4-175.6-171.4177.6177.8-176.70114F209F209-K213 WeakPolarHBondContact O-CB 3.06Å; F209-K213 PolarHBondContact O-N 3.14Å
214H82.9Confident88.1Confident146 Ų14698.7 Ų98.768%0.67649%0.488SS*.THydrogen-bonded Turntrans-123.323-175.6-57.9-63.3000113F212F212-H214 PolarHBondContact O-N 2.88Å
215V87.4Confident87.9Confident96 Ų9692.6 Ų92.658%0.58247%0.47SS*.  trans-71.3-32.6179.3165.90000112.1K211 F212 P217K211-V215 VanDerWaalsContact O-CG2 3.25Å; K211-V215 WeakPolarHBondContact O-CG2 3.35Å; F212-V215 HydrophobicContact CD1-CG2 4.02Å; F212-V215 PolarHBondContact O-N 3.49Å; V215-P217 VanDerWaalsContact O-CD 3.28Å; V215-P217 WeakPolarHBondContact O-CD 3.47Å
216N83.9Confident87.6Confident74 Ų74101.6 Ų101.640%0.39651%0.512SS..  trans-74.8116.7175.8178.65.6000109.8F218 R238N216-F218 VanDerWaalsContact CG-O 3.29Å; N216-F218 PolarHBondContact ND2-O 3.48Å; N216-F218 PolarHBondContact O-N 3.3Å; N216-F218 PolarHBondContact OD1-N 3.18Å; N216-F218 PolarHBondContact OD1-O 3.26Å; N216-R238 PolarHBondContact ND2-NH2 2.93Å
217P85.7Confident87.5Confident100 Ų100101.6 Ų101.665%0.64951%0.513SS*.SBendtrans-66.5-21.6179.226.5-33.5000112.8V215 P219V215-P217 VanDerWaalsContact O-CD 3.28Å; V215-P217 WeakPolarHBondContact O-CD 3.47Å; P217-P219 VanDerWaalsContact O-CD 3.27Å; P217-P219 WeakPolarHBondContact O-CD 3.48Å
218F84.4Confident87.4Confident146 Ų14698.5 Ų98.564%0.6451%0.508SS*.SBendtrans-115.783.1-179-53.9-68.2000109.9N216 R238N216-F218 VanDerWaalsContact CG-O 3.29Å; N216-F218 PolarHBondContact ND2-O 3.48Å; N216-F218 PolarHBondContact O-N 3.3Å; N216-F218 PolarHBondContact OD1-N 3.18Å; N216-F218 PolarHBondContact OD1-O 3.26Å; F218-R238 PolarHBondContact O-NH1 3.4Å; F218-R238 PolarHBondContact O-NH2 2.82Å
219P84.9Confident87.4Confident108 Ų10893.2 Ų93.270%0.70149%0.489SS*.PPolyproline II helixtrans-66.5148.3-177.628.3-35.2000111.9P217P217-P219 VanDerWaalsContact O-CD 3.27Å; P217-P219 WeakPolarHBondContact O-CD 3.48Å
220V85.9Confident87.6Confident28 Ų2894.8 Ų94.817%0.1750%0.5CS..PPolyproline II helixtrans-99.9129.3178.3177.70000109.8L224 K301V220-L224 HydrophobicContact CG1-CD2 3.42Å; V220-L224 VanDerWaalsContact CG1-CD2 3.42Å; V220-K301 HydrophobicContact CG1-CD 4.37Å; V220-K301 PolarHBondContact O-NZ 3.33Å
221P87.1Confident87.7Confident61 Ų6192.6 Ų92.640%0.39648%0.484SS..PPolyproline II helixtrans-48.5142.1-178.1-29.234.2000114.9P223 L234 K301P221-P223 CarbonylContact C-O 3.56Å; P221-P223 VanDerWaalsContact C-O 3.23Å; P221-P223 CarbonylContact O-C 3.54Å; P221-L234 HydrophobicContact CG-CD1 4.3Å; P221-L234 HydrophobicContact CG-CD2 4.23Å; P221-K301 PolarHBondContact O-NZ 3.39Å
222Q82.6Confident87.9Confident172 Ų17287.5 Ų87.580%0.80446%0.462SS*.SBendtrans-125.3114.4175.9-71.6-177.420.600109.5
223P86.4Confident88.2Confident115 Ų11583.8 Ų83.875%0.74745%0.448SS*.SBendcis-67.4167.7-3.430.4-35.6000113.5P221P221-P223 CarbonylContact C-O 3.56Å; P221-P223 VanDerWaalsContact C-O 3.23Å; P221-P223 CarbonylContact O-C 3.54Å
224L89.1Confident88.7Confident36 Ų3678.8 Ų78.819%0.18843%0.428CS..PPolyproline II helixtrans-72.2152168.3-76.4171.1000109.4V220 E226 L234 L300 K301 T303V220-L224 HydrophobicContact CG1-CD2 3.42Å; V220-L224 VanDerWaalsContact CG1-CD2 3.42Å; L224-E226 PolarHBondContact O-N 2.87Å; L224-L234 HydrophobicContact CD2-CD2 4.3Å; L224-L300 HydrophobicContact CD1-CB 4.4Å; L224-L300 WeakPolarHBondContact CD1-O 3.44Å; L224-K301 HydrophobicContact CD1-CD 4.35Å; L224-K301 HydrophobicContact CG-CD 4.4Å; L224-T303 VanDerWaalsContact CD1-OG1 3.23Å; L224-T303 WeakPolarHBondContact CD1-OG1 3.43Å
225P91.8Very high89.1Confident40 Ų4071.9 Ų71.926%0.2640%0.396SS..PPolyproline II helixtrans-56.4136.3170.7-21.633000111.1D230 L234P225-D230 HydrophobicContact CB-CB 3.83Å; P225-D230 HydrophobicContact CG-CB 4.44Å; P225-L234 HydrophobicContact CG-CD2 4.21Å
226E88.4Confident89.5Confident192 Ų19267.3 Ų67.390%0.89737%0.368SS*.SBendtrans-83-29176.7-65.9-179.7179.700111.8L224L224-E226 PolarHBondContact O-N 2.87Å
227D91.5Very high89.8Confident69 Ų6967.5 Ų67.537%0.36937%0.369SS..SBendtrans-69.9124.2176.8-177.1-1.9000110.3V229 D230 L231D227-V229 PolarHBondContact O-N 3.06Å; D227-V229 PolarHBondContact OD1-N 3.48Å; D227-D230 HydrophobicContact CB-CB 4.18Å; D227-D230 PolarHBondContact O-N 2.7Å; D227-L231 WeakPolarHBondContact O-CB 3.44Å; D227-L231 PolarHBondContact O-N 2.93Å
228P90.4Very high90Very high59 Ų5967.4 Ų67.438%0.38336%0.356SS..Hα-helixtrans-57.3-32.3176.623.5-36000113.3A232P228-A232 WeakPolarHBondContact O-CB 3.48Å; P228-A232 PolarHBondContact O-N 3.49Å
229V93.1Very high90.4Very high7 Ų762.8 Ų62.84%0.04234%0.337CS..Hα-helixtrans-69.3-49.5-179.8-179.60000110.4D227 L231 A232 I233 V249 L252 P253 H268 V270D227-V229 PolarHBondContact O-N 3.06Å; D227-V229 PolarHBondContact OD1-N 3.48Å; V229-L231 VanDerWaalsContact C-N 3.27Å; V229-L231 PolarHBondContact O-N 3.17Å; V229-A232 WeakPolarHBondContact O-CB 3.36Å; V229-A232 PolarHBondContact O-N 2.88Å; V229-I233 HydrophobicContact CG1-CD1 4Å; V229-I233 VanDerWaalsContact O-CG1 3.27Å; V229-I233 WeakPolarHBondContact O-CG1 3.34Å; V229-I233 PolarHBondContact O-N 3.42Å; V229-V249 HydrophobicContact CG1-CG1 4.44Å; V229-V249 HydrophobicContact CG1-CG2 4.22Å; V229-L252 HydrophobicContact CG1-CD2 4.29Å; V229-L252 HydrophobicContact CG2-CD2 4.12Å; V229-P253 HydrophobicContact CG2-CG 4.28Å; V229-H268 HydrophobicContact CG2-CB 3.99Å; V229-V270 HydrophobicContact CG1-CG2 4.03Å
230D93.2Very high90.6Very high85 Ų8558.5 Ų58.546%0.45531%0.311SS..Hα-helixtrans-62-37.2176.5-75.8-18.5000111.9P225 D227 I233 L234P225-D230 HydrophobicContact CB-CB 3.83Å; P225-D230 HydrophobicContact CG-CB 4.44Å; D227-D230 HydrophobicContact CB-CB 4.18Å; D227-D230 PolarHBondContact O-N 2.7Å; D230-I233 PolarHBondContact O-N 3.1Å; D230-L234 WeakPolarHBondContact O-CB 3.13Å; D230-L234 PolarHBondContact O-N 2.97Å
231L93.1Very high90.3Very high22 Ų2264.6 Ų64.612%0.11534%0.343CS..Hα-helixtrans-64.6-44.8175.2-169.1157.3000110.7D227 V229 L234 S235 L300 V305D227-L231 WeakPolarHBondContact O-CB 3.44Å; D227-L231 PolarHBondContact O-N 2.93Å; V229-L231 VanDerWaalsContact C-N 3.27Å; V229-L231 PolarHBondContact O-N 3.17Å; L231-L234 PolarHBondContact O-N 3.33Å; L231-S235 VanDerWaalsContact O-CB 3.28Å; L231-S235 WeakPolarHBondContact O-CB 3.2Å; L231-S235 PolarHBondContact O-N 3.33Å; L231-S235 PolarHBondContact O-OG 3.42Å; L231-L300 HydrophobicContact CD2-CD1 4.16Å; L231-L300 HydrophobicContact CG-CD1 4.37Å; L231-V305 HydrophobicContact CD2-CB 4.29Å; L231-V305 HydrophobicContact CD2-CG1 3.37Å; L231-V305 HydrophobicContact CD2-CG2 4.26Å
232A93.4Very high90.2Very high2 Ų264.2 Ų64.22%0.01734%0.338CS..Hα-helixtrans-61.2-44.7175.100000111.7P228 V229 L234 S235 L236 V270 M366P228-A232 WeakPolarHBondContact O-CB 3.48Å; P228-A232 PolarHBondContact O-N 3.49Å; V229-A232 WeakPolarHBondContact O-CB 3.36Å; V229-A232 PolarHBondContact O-N 2.88Å; A232-L234 PolarHBondContact O-N 2.96Å; A232-S235 PolarHBondContact O-N 3.21Å; A232-L236 WeakPolarHBondContact O-CB 3.35Å; A232-L236 WeakPolarHBondContact O-CG 3.34Å; A232-L236 PolarHBondContact O-N 3.41Å; A232-V270 HydrophobicContact CB-CB 4.11Å; A232-V270 HydrophobicContact CB-CG2 4.01Å; A232-M366 HydrophobicContact CB-CB 3.93Å; A232-M366 HydrophobicContact CB-SD 4.29Å
233I93.8Very high90.3Very high45 Ų4564.6 Ų64.623%0.23134%0.344CS..Hα-helixtrans-59.2-48.4176.1-66.2166.3000110.7V229 D230 S235 N237 T247 V249 V270V229-I233 HydrophobicContact CG1-CD1 4Å; V229-I233 VanDerWaalsContact O-CG1 3.27Å; V229-I233 WeakPolarHBondContact O-CG1 3.34Å; V229-I233 PolarHBondContact O-N 3.42Å; D230-I233 PolarHBondContact O-N 3.1Å; I233-S235 VanDerWaalsContact C-N 3.29Å; I233-S235 PolarHBondContact O-N 3.23Å; I233-N237 WeakPolarHBondContact CG2-ND2 3.32Å; I233-N237 WeakPolarHBondContact O-CB 3.46Å; I233-N237 VanDerWaalsContact O-CG 3.31Å; I233-N237 PolarHBondContact O-N 3.13Å; I233-N237 PolarHBondContact O-ND2 2.87Å; I233-T247 HydrophobicContact CB-CG2 4.33Å; I233-T247 HydrophobicContact CG1-CG2 3.84Å; I233-T247 HydrophobicContact CG2-CG2 4.21Å; I233-V249 HydrophobicContact CD1-CG2 4.28Å; I233-V270 HydrophobicContact CG1-CG1 3.93Å
234L92.9Very high90.4Very high52 Ų5264.8 Ų64.827%0.27234%0.339SS..Hα-helixtrans-60.1-41.5177.7177.568.5000111.7P221 L224 P225 D230 L231 A232 R238P221-L234 HydrophobicContact CG-CD1 4.3Å; P221-L234 HydrophobicContact CG-CD2 4.23Å; L224-L234 HydrophobicContact CD2-CD2 4.3Å; P225-L234 HydrophobicContact CG-CD2 4.21Å; D230-L234 WeakPolarHBondContact O-CB 3.13Å; D230-L234 PolarHBondContact O-N 2.97Å; L231-L234 PolarHBondContact O-N 3.33Å; A232-L234 PolarHBondContact O-N 2.96Å; L234-R238 WeakPolarHBondContact O-CB 3.48Å; L234-R238 PolarHBondContact O-N 3.14Å
235S93Very high90.6Very high0 Ų063.8 Ų63.80%034%0.336CS..Hα-helixtrans-68.3-48.1-177.9-58.70000111.6L231 A232 I233 R238 I239 L300 M366L231-S235 VanDerWaalsContact O-CB 3.28Å; L231-S235 WeakPolarHBondContact O-CB 3.2Å; L231-S235 PolarHBondContact O-N 3.33Å; L231-S235 PolarHBondContact O-OG 3.42Å; A232-S235 PolarHBondContact O-N 3.21Å; I233-S235 VanDerWaalsContact C-N 3.29Å; I233-S235 PolarHBondContact O-N 3.23Å; S235-R238 WeakPolarHBondContact O-CB 3.48Å; S235-R238 PolarHBondContact O-N 3.5Å; S235-R238 VanDerWaalsContact O-N 3.13Å; S235-I239 PolarHBondContact O-N 2.9Å; S235-I239 VanDerWaalsContact O-N 3.16Å; S235-L300 WeakPolarHBondContact OG-CD1 3.18Å; S235-M366 WeakPolarHBondContact CB-SD 3.44Å
236L93.9Very high90.6Very high0 Ų069.2 Ų69.20%036%0.356CS..Hα-helixtrans-62.6-45.8178.3-74.7176.9000111.8A232 R238 I239 A240 V270 I272 M364 M366A232-L236 WeakPolarHBondContact O-CB 3.35Å; A232-L236 WeakPolarHBondContact O-CG 3.34Å; A232-L236 PolarHBondContact O-N 3.41Å; L236-R238 PolarHBondContact O-N 2.79Å; L236-I239 HydrophobicContact CD2-CD1 4.15Å; L236-I239 WeakPolarHBondContact O-CG1 3.24Å; L236-I239 PolarHBondContact O-N 3.22Å; L236-A240 WeakPolarHBondContact O-CB 3.22Å; L236-A240 PolarHBondContact O-N 3.49Å; L236-V270 HydrophobicContact CD1-CB 4.13Å; L236-V270 HydrophobicContact CD1-CG1 3.72Å; L236-I272 HydrophobicContact CB-CB 4.07Å; L236-I272 HydrophobicContact CB-CD1 4.16Å; L236-I272 HydrophobicContact CB-CG2 3.88Å; L236-I272 HydrophobicContact CD1-CB 4.27Å; L236-I272 HydrophobicContact CD1-CG2 4.27Å; L236-I272 HydrophobicContact CD2-CG2 3.81Å; L236-I272 HydrophobicContact CG-CG2 4.19Å; L236-M364 HydrophobicContact CD2-CB 4.04Å; L236-M366 HydrophobicContact CD1-CB 4.44Å; L236-M366 HydrophobicContact CD1-CG 4.43Å; L236-M366 HydrophobicContact CD2-CE 3.85Å; L236-M366 HydrophobicContact CD2-CG 3.79Å; L236-M366 HydrophobicContact CD2-SD 4.05Å; L236-M366 HydrophobicContact CG-CB 4.47Å; L236-M366 HydrophobicContact CG-CE 4.14Å; L236-M366 HydrophobicContact CG-CG 3.96Å; L236-M366 HydrophobicContact CG-SD 3.84Å
237N92.1Very high90.9Very high78 Ų7862 Ų6242%0.41733%0.325SS..Hα-helixtrans-62.2-25.4175.6-74.7-44000112.9I233 T247 I272I233-N237 WeakPolarHBondContact CG2-ND2 3.32Å; I233-N237 WeakPolarHBondContact O-CB 3.46Å; I233-N237 VanDerWaalsContact O-CG 3.31Å; I233-N237 PolarHBondContact O-N 3.13Å; I233-N237 PolarHBondContact O-ND2 2.87Å; N237-T247 PolarHBondContact ND2-OG1 3.1Å; N237-T247 PolarHBondContact OD1-OG1 2.68Å; N237-T247 VanDerWaalsContact OD1-OG1 3.09Å; N237-I272 WeakPolarHBondContact OD1-CD1 3.38Å
238R89.8Confident91Very high99 Ų9960.7 Ų60.737%0.37432%0.319SS..Hα-helixtrans-78.6-36.9178.6-178.3178.7-176.8749.5112.7N216 F218 L234 S235 L236N216-R238 PolarHBondContact ND2-NH2 2.93Å; F218-R238 PolarHBondContact O-NH1 3.4Å; F218-R238 PolarHBondContact O-NH2 2.82Å; L234-R238 WeakPolarHBondContact O-CB 3.48Å; L234-R238 PolarHBondContact O-N 3.14Å; S235-R238 WeakPolarHBondContact O-CB 3.48Å; S235-R238 PolarHBondContact O-N 3.5Å; S235-R238 VanDerWaalsContact O-N 3.13Å; L236-R238 PolarHBondContact O-N 2.79Å
239I91.9Very high91.1Very high48 Ų4861 Ų6125%0.24632%0.32CS..Hα-helixtrans-88.5-19.7-179.864.2174.9000112.4S235 L236 N241 L298 Y307 M364 M366S235-I239 PolarHBondContact O-N 2.9Å; S235-I239 VanDerWaalsContact O-N 3.16Å; L236-I239 HydrophobicContact CD2-CD1 4.15Å; L236-I239 WeakPolarHBondContact O-CG1 3.24Å; L236-I239 PolarHBondContact O-N 3.22Å; I239-N241 PolarHBondContact O-N 3.41Å; I239-L298 HydrophobicContact CG2-CD1 3.77Å; I239-L298 HydrophobicContact CG2-CD2 3.76Å; I239-L298 HydrophobicContact CG2-CG 4.42Å; I239-Y307 HydrophobicContact CD1-CD1 4.32Å; I239-Y307 HydrophobicContact CD1-CD2 3.76Å; I239-Y307 HydrophobicContact CD1-CE2 4Å; I239-Y307 HydrophobicContact CD1-CG 3.94Å; I239-M364 HydrophobicContact CD1-CE 4.34Å; I239-M364 HydrophobicContact CD1-SD 3.67Å; I239-M364 HydrophobicContact CG1-CE 4.01Å; I239-M364 HydrophobicContact CG1-SD 3.94Å; I239-M366 HydrophobicContact CD1-CE 3.99Å
240A89.5Confident90.9Very high19 Ų1963.6 Ų63.616%0.15733%0.329CS..  trans-64.1123.7170.700000110.3L236 D242 A245 I272 M364L236-A240 WeakPolarHBondContact O-CB 3.22Å; L236-A240 PolarHBondContact O-N 3.49Å; A240-D242 VanDerWaalsContact C-N 3.31Å; A240-A245 HydrophobicContact CB-CB 4.06Å; A240-I272 HydrophobicContact CB-CD1 3.67Å; A240-I272 HydrophobicContact CB-CG1 4.44Å; A240-M364 HydrophobicContact CB-CE 4.16Å
241N79.6Confident90.6Very high155 Ų15561.1 Ų61.183%0.82932%0.315SS*.  trans-74.3-26.7176.6-169.242.1000112I239I239-N241 PolarHBondContact O-N 3.41Å
242D85.1Confident90.3Very high54 Ų5465.3 Ų65.329%0.28934%0.337SS..  trans-91.9129.8-172.3-64.5-25.1000112.2A240 D244 A245 S274A240-D242 VanDerWaalsContact C-N 3.31Å; D242-D244 VanDerWaalsContact C-N 3.26Å; D242-D244 PolarHBondContact O-N 3.34Å; D242-A245 HydrophobicContact CB-CB 4.28Å; D242-A245 VanDerWaalsContact O-CB 3.29Å; D242-A245 WeakPolarHBondContact O-CB 3.44Å; D242-A245 PolarHBondContact O-N 3.38Å; D242-S274 WeakPolarHBondContact OD2-CB 3.21Å; D242-S274 PolarHBondContact OD2-OG 3.41Å
243L83.4Confident89.9Confident179 Ų17968.1 Ų68.194%0.93736%0.355SS*.THydrogen-bonded Turntrans-67.5-26.7176-65.8174.8000113.2A245L243-A245 VanDerWaalsContact C-N 3.3Å
244D90.3Very high89.3Confident119 Ų11970.6 Ų70.664%0.63637%0.365SS*.THydrogen-bonded Turntrans-89.63.4-179-63.6-30.9000112.7D242 K246 P275D242-D244 VanDerWaalsContact C-N 3.26Å; D242-D244 PolarHBondContact O-N 3.34Å; D244-K246 PolarHBondContact O-N 2.88Å; D244-P275 HydrophobicContact CB-CG 4.41Å; D244-P275 WeakPolarHBondContact O-CD 3.42Å
245A91.9Very high88.8Confident16 Ų1672.8 Ų72.813%0.13238%0.38CS..  trans-61.8130.1177.800000111A240 D242 L243 I272A240-A245 HydrophobicContact CB-CB 4.06Å; D242-A245 HydrophobicContact CB-CB 4.28Å; D242-A245 VanDerWaalsContact O-CB 3.29Å; D242-A245 WeakPolarHBondContact O-CB 3.44Å; D242-A245 PolarHBondContact O-N 3.38Å; L243-A245 VanDerWaalsContact C-N 3.3Å; A245-I272 HydrophobicContact CB-CD1 3.92Å; A245-I272 HydrophobicContact CB-CG1 3.86Å
246K93.2Very high88.2Confident154 Ų15477 Ų7767%0.6740%0.403SS*.EExtended strand (participates in β ladder)trans-105127.6178.6-68.7-178.8-176.71730109.7D244 Q273D244-K246 PolarHBondContact O-N 2.88Å; K246-Q273 PolarHBondContact N-O 3.2Å; K246-Q273 PolarHBondContact O-N 3.39Å
247T92.9Very high87.4Confident41 Ų4182.2 Ų82.225%0.25243%0.429SS..EExtended strand (participates in β ladder)trans-83.5131.7172.3-52.50000109.6I233 N237 V270 G271I233-T247 HydrophobicContact CB-CG2 4.33Å; I233-T247 HydrophobicContact CG1-CG2 3.84Å; I233-T247 HydrophobicContact CG2-CG2 4.21Å; N237-T247 PolarHBondContact ND2-OG1 3.1Å; N237-T247 PolarHBondContact OD1-OG1 2.68Å; N237-T247 VanDerWaalsContact OD1-OG1 3.09Å; T247-V270 HydrophobicContact CG2-CG1 3.42Å; T247-V270 VanDerWaalsContact CG2-CG1 3.42Å; T247-G271 CarbonylContact C-O 3.52Å; T247-G271 WeakPolarHBondContact CA-O 3.42Å; T247-G271 WeakPolarHBondContact CG2-O 3.4Å
248T93.6Very high86.7Confident40 Ų4080.3 Ų80.325%0.24542%0.42CS..EExtended strand (participates in β ladder)trans-121127.2178.247.80000109.7Y250 G271T248-Y250 WeakPolarHBondContact OG1-CE2 3.48Å; T248-Y250 VanDerWaalsContact OG1-CZ 3.28Å; T248-Y250 PolarHBondContact OG1-OH 3.05Å; T248-G271 PolarHBondContact N-O 3.25Å; T248-G271 PolarHBondContact O-N 2.99Å; T248-G271 PolarHBondContact OG1-O 3.43Å
249V93.8Very high85.9Confident67 Ų6785.7 Ų85.741%0.40645%0.45SS..EExtended strand (participates in β ladder)trans-93.5111.2173.1-1770000107.4V229 I233 L252 V270V229-V249 HydrophobicContact CG1-CG1 4.44Å; V229-V249 HydrophobicContact CG1-CG2 4.22Å; I233-V249 HydrophobicContact CD1-CG2 4.28Å; V249-L252 HydrophobicContact CG1-CD2 3.87Å; V249-L252 HydrophobicContact CG1-CG 4.24Å; V249-V270 HydrophobicContact CG2-CG1 4.48Å; V249-V270 HydrophobicContact CG2-CG2 4.4Å
250Y88.1Confident85Confident60 Ų6087.8 Ų87.824%0.23547%0.469CS..EExtended strand (participates in β ladder)trans-85.9-34.2179.2-66.5-75.8000111.6T248 I269 W378 G381T248-Y250 WeakPolarHBondContact OG1-CE2 3.48Å; T248-Y250 VanDerWaalsContact OG1-CZ 3.28Å; T248-Y250 PolarHBondContact OG1-OH 3.05Å; Y250-I269 HydrophobicContact CD2-CG2 4.11Å; Y250-I269 HydrophobicContact CG-CG2 4.46Å; Y250-I269 PolarHBondContact N-O 3.41Å; Y250-W378 AromaticContact CD2-CD1 3.76Å; Y250-W378 AromaticContact CE2-CD1 3.56Å; Y250-W378 AromaticContact CE2-NE1 3.86Å; Y250-G381 WeakPolarHBondContact CE1-O 3.32Å
251Q87.3Confident84.3Confident34 Ų3489.5 Ų89.516%0.15949%0.488CS..EExtended strand (participates in β ladder)trans-148.1130.3-178.4-172.5167.5-59.300110.5F254 P267 H268 I269Q251-F254 HydrophobicContact CG-CE1 4.4Å; Q251-P267 PolarHBondContact NE2-O 2.97Å; Q251-H268 WeakPolarHBondContact O-CA 3.43Å; Q251-I269 HydrophobicContact CB-CB 4Å; Q251-I269 HydrophobicContact CB-CD1 4.12Å; Q251-I269 HydrophobicContact CB-CG1 4.02Å; Q251-I269 PolarHBondContact N-O 2.99Å; Q251-I269 PolarHBondContact O-N 2.89Å
252L86.8Confident84Confident109 Ų10988.4 Ų88.457%0.57148%0.478SS*.  trans-85.9150.4167.9-70.4173.3000109.5V229 V249 F254V229-L252 HydrophobicContact CG1-CD2 4.29Å; V229-L252 HydrophobicContact CG2-CD2 4.12Å; V249-L252 HydrophobicContact CG1-CD2 3.87Å; V249-L252 HydrophobicContact CG1-CG 4.24Å; L252-F254 WeakPolarHBondContact O-CD1 3.46Å; L252-F254 PolarHBondContact O-N 3.48Å
253P84Confident83.7Confident62 Ų6293.3 Ų93.340%0.40350%0.499SS..  trans-65127.8175.928.1-31.6000109.4V229 H268V229-P253 HydrophobicContact CG2-CG 4.28Å; P253-H268 HydrophobicContact CB-CB 4.4Å; P253-H268 HydrophobicContact CG-CB 4.41Å
254F82.8Confident83.4Confident97 Ų9788.4 Ų88.443%0.42547%0.473SS..EExtended strand (participates in β ladder)trans-144149.8174.674.1-87.5000110.7Q251 L252 D256 F266Q251-F254 HydrophobicContact CG-CE1 4.4Å; L252-F254 WeakPolarHBondContact O-CD1 3.46Å; L252-F254 PolarHBondContact O-N 3.48Å; F254-D256 HydrophobicContact CD2-CB 4.44Å; F254-D256 HydrophobicContact CE2-CB 4.13Å; F254-F266 HydrophobicContact CD1-CB 3.86Å; F254-F266 HydrophobicContact CD1-CG 4.39Å; F254-F266 AromaticContact CD2-CD2 3.86Å; F254-F266 HydrophobicContact CD2-CD2 3.86Å; F254-F266 HydrophobicContact CD2-CG 4.49Å; F254-F266 HydrophobicContact CE1-CB 3.59Å; F254-F266 HydrophobicContact CE1-CD1 4.42Å; F254-F266 HydrophobicContact CE1-CD2 4.02Å; F254-F266 AromaticContact CE1-CG 3.76Å; F254-F266 HydrophobicContact CE1-CG 3.76Å; F254-F266 HydrophobicContact CE2-CB 4.33Å; F254-F266 AromaticContact CE2-CD2 3.26Å; F254-F266 HydrophobicContact CE2-CD2 3.26Å; F254-F266 AromaticContact CE2-CE2 3.66Å; F254-F266 HydrophobicContact CE2-CE2 3.66Å; F254-F266 AromaticContact CE2-CG 3.89Å; F254-F266 HydrophobicContact CE2-CG 3.89Å; F254-F266 HydrophobicContact CG-CB 4.32Å; F254-F266 HydrophobicContact CG-CD2 4.46Å; F254-F266 HydrophobicContact CZ-CB 3.85Å; F254-F266 HydrophobicContact CZ-CD1 4.07Å; F254-F266 AromaticContact CZ-CD2 3.35Å; F254-F266 HydrophobicContact CZ-CD2 3.35Å; F254-F266 HydrophobicContact CZ-CE1 4.49Å; F254-F266 AromaticContact CZ-CE2 3.84Å; F254-F266 HydrophobicContact CZ-CE2 3.84Å; F254-F266 AromaticContact CZ-CG 3.47Å; F254-F266 HydrophobicContact CZ-CG 3.47Å; F254-F266 VanDerWaalsContact CZ-CG 3.47Å; F254-F266 HydrophobicContact CZ-CZ 4.38Å; F254-F266 WeakPolarHBondContact O-CB 3.48Å; F254-F266 PolarHBondContact O-N 2.86Å
255T82.3Confident82.9Confident97 Ų9786.6 Ų86.660%0.59547%0.47SS*.EExtended strand (participates in β ladder)trans-105.4126.7175.150.20000108.7I264T255-I264 WeakPolarHBondContact CA-O 3.33Å
256D79.1Confident82.3Confident89 Ų8988.7 Ų88.748%0.47648%0.476SS..EExtended strand (participates in β ladder)trans-109.1144.9172.4-156-3000110F254 I264 F266F254-D256 HydrophobicContact CD2-CB 4.44Å; F254-D256 HydrophobicContact CE2-CB 4.13Å; D256-I264 PolarHBondContact N-O 2.8Å; D256-I264 PolarHBondContact O-N 3.31Å; D256-F266 HydrophobicContact CB-CD2 4.31Å; D256-F266 HydrophobicContact CB-CE2 3.76Å
257I79.1Confident82Confident110 Ų11081.8 Ų81.856%0.56445%0.447SS*.EExtended strand (participates in β ladder)trans-103.7113.9178.6-56.1169.7000106.3E263I257-E263 HydrophobicContact CG1-CG 4.38Å
258T76.6Confident81.9Confident37 Ų3780.6 Ų80.623%0.22744%0.438CS..  trans-65.1161.4178.457.50000111.4S260 G261 E262 I264T258-S260 PolarHBondContact O-N 3.49Å; T258-S260 PolarHBondContact OG1-OG 2.98Å; T258-G261 PolarHBondContact O-N 3.37Å; T258-E262 PolarHBondContact N-O 2.85Å; T258-E262 WeakPolarHBondContact OG1-CB 3.32Å; T258-E262 PolarHBondContact OG1-N 3.19Å; T258-E262 PolarHBondContact OG1-O 3.37Å; T258-E262 VanDerWaalsContact OG1-O 3.04Å; T258-I264 HydrophobicContact CG2-CD1 3.29Å; T258-I264 HydrophobicContact CG2-CG1 3.79Å
259E72.4Confident82Confident213 Ų21378.8 Ų78.8100%0.99543%0.427SS*.THydrogen-bonded Turntrans-58.7-20.4175.1-60.7-177.617000112.9
260S72.4Confident82.1Confident92 Ų9275.6 Ų75.664%0.64341%0.408SS*.THydrogen-bonded Turntrans-86.2-1.1173.142.20000114.5T258T258-S260 PolarHBondContact O-N 3.49Å; T258-S260 PolarHBondContact OG1-OG 2.98Å
261G75.2Confident82.4Confident54 Ų5472.7 Ų72.756%0.55740%0.397SS*.SBendtrans81.614.8178.700000114.8T258T258-G261 PolarHBondContact O-N 3.37Å
262E74.2Confident82.8Confident132 Ų13271.2 Ų71.262%0.61739%0.39SS*.  trans-91.5131.5176.1-61.5177.9166.400110.2T258 I264T258-E262 PolarHBondContact N-O 2.85Å; T258-E262 WeakPolarHBondContact OG1-CB 3.32Å; T258-E262 PolarHBondContact OG1-N 3.19Å; T258-E262 PolarHBondContact OG1-O 3.37Å; T258-E262 VanDerWaalsContact OG1-O 3.04Å; E262-I264 PolarHBondContact O-N 3.03Å
263E77.7Confident83.2Confident157 Ų15766.6 Ų66.673%0.73437%0.365SS*.EExtended strand (participates in β ladder)trans-81.5111177.4-66.1-179.4-178.800110.1I257I257-E263 HydrophobicContact CG1-CG 4.38Å
264I77.7Confident83.7Confident77 Ų7763.7 Ų63.740%0.39535%0.346SS..EExtended strand (participates in β ladder)trans-98.1114.6173.3-61180000108.4T255 D256 T258 E262 F266T255-I264 WeakPolarHBondContact CA-O 3.33Å; D256-I264 PolarHBondContact N-O 2.8Å; D256-I264 PolarHBondContact O-N 3.31Å; T258-I264 HydrophobicContact CG2-CD1 3.29Å; T258-I264 HydrophobicContact CG2-CG1 3.79Å; E262-I264 PolarHBondContact O-N 3.03Å; I264-F266 HydrophobicContact CB-CE2 4.34Å; I264-F266 HydrophobicContact CG2-CD2 4.27Å; I264-F266 HydrophobicContact CG2-CE2 3.87Å; I264-F266 HydrophobicContact CG2-CZ 4.07Å
265S79Confident84.2Confident81 Ų8161.5 Ų61.557%0.56634%0.342SS*.EExtended strand (participates in β ladder)trans-84.5121.9171.8-170.70000110.1
266F81.1Confident84.6Confident59 Ų5961.3 Ų61.326%0.25934%0.337SS..EExtended strand (participates in β ladder)trans-90.6133.1174.4-73.5-89000110.6F254 D256 I264F254-F266 HydrophobicContact CD1-CB 3.86Å; F254-F266 HydrophobicContact CD1-CG 4.39Å; F254-F266 AromaticContact CD2-CD2 3.86Å; F254-F266 HydrophobicContact CD2-CD2 3.86Å; F254-F266 HydrophobicContact CD2-CG 4.49Å; F254-F266 HydrophobicContact CE1-CB 3.59Å; F254-F266 HydrophobicContact CE1-CD1 4.42Å; F254-F266 HydrophobicContact CE1-CD2 4.02Å; F254-F266 AromaticContact CE1-CG 3.76Å; F254-F266 HydrophobicContact CE1-CG 3.76Å; F254-F266 HydrophobicContact CE2-CB 4.33Å; F254-F266 AromaticContact CE2-CD2 3.26Å; F254-F266 HydrophobicContact CE2-CD2 3.26Å; F254-F266 AromaticContact CE2-CE2 3.66Å; F254-F266 HydrophobicContact CE2-CE2 3.66Å; F254-F266 AromaticContact CE2-CG 3.89Å; F254-F266 HydrophobicContact CE2-CG 3.89Å; F254-F266 HydrophobicContact CG-CB 4.32Å; F254-F266 HydrophobicContact CG-CD2 4.46Å; F254-F266 HydrophobicContact CZ-CB 3.85Å; F254-F266 HydrophobicContact CZ-CD1 4.07Å; F254-F266 AromaticContact CZ-CD2 3.35Å; F254-F266 HydrophobicContact CZ-CD2 3.35Å; F254-F266 HydrophobicContact CZ-CE1 4.49Å; F254-F266 AromaticContact CZ-CE2 3.84Å; F254-F266 HydrophobicContact CZ-CE2 3.84Å; F254-F266 AromaticContact CZ-CG 3.47Å; F254-F266 HydrophobicContact CZ-CG 3.47Å; F254-F266 VanDerWaalsContact CZ-CG 3.47Å; F254-F266 HydrophobicContact CZ-CZ 4.38Å; F254-F266 WeakPolarHBondContact O-CB 3.48Å; F254-F266 PolarHBondContact O-N 2.86Å; D256-F266 HydrophobicContact CB-CD2 4.31Å; D256-F266 HydrophobicContact CB-CE2 3.76Å; I264-F266 HydrophobicContact CB-CE2 4.34Å; I264-F266 HydrophobicContact CG2-CD2 4.27Å; I264-F266 HydrophobicContact CG2-CE2 3.87Å; I264-F266 HydrophobicContact CG2-CZ 4.07Å
267P87.1Confident85.2Confident9 Ų958.2 Ų58.26%0.05832%0.32CS..PPolyproline II helixtrans-70158.2-176.529.4-36.1000112Q251 S368 Q369 T374Q251-P267 PolarHBondContact NE2-O 2.97Å; P267-S368 WeakPolarHBondContact CA-OG 3.4Å; P267-S368 WeakPolarHBondContact CB-OG 3.48Å; P267-Q369 HydrophobicContact CB-CB 3.99Å; P267-Q369 HydrophobicContact CG-CB 4.32Å; P267-T374 HydrophobicContact CB-CG2 4.26Å; P267-T374 HydrophobicContact CG-CG2 3.49Å; P267-T374 VanDerWaalsContact CG-CG2 3.49Å
268H90.9Very high85.9Confident16 Ų1655.9 Ų55.97%0.07431%0.307CS..PPolyproline II helixtrans-77.5147.2167.267.3-85.1000110.1V229 Q251 P253 T367 S368V229-H268 HydrophobicContact CG2-CB 3.99Å; Q251-H268 WeakPolarHBondContact O-CA 3.43Å; P253-H268 HydrophobicContact CB-CB 4.4Å; P253-H268 HydrophobicContact CG-CB 4.41Å; H268-T367 VanDerWaalsContact O-CA 3.24Å; H268-T367 WeakPolarHBondContact O-CA 3.49Å; H268-T367 WeakPolarHBondContact O-CB 3.47Å; H268-S368 VanDerWaalsContact CE1-CB 3.44Å; H268-S368 WeakPolarHBondContact CE1-CB 3.38Å; H268-S368 PolarHBondContact CE1-N 3.09Å; H268-S368 PolarHBondContact N-OG 3.25Å; H268-S368 WeakPolarHBondContact ND1-CB 3.4Å; H268-S368 PolarHBondContact ND1-OG 3.46Å
269I94.3Very high86.6Confident2 Ų259.6 Ų59.61%0.0132%0.322CS..EExtended strand (participates in β ladder)trans-132.7112.3175.9-54.8175.3000108.5Y250 Q251 T367 T374 Q377 W378Y250-I269 HydrophobicContact CD2-CG2 4.11Å; Y250-I269 HydrophobicContact CG-CG2 4.46Å; Y250-I269 PolarHBondContact N-O 3.41Å; Q251-I269 HydrophobicContact CB-CB 4Å; Q251-I269 HydrophobicContact CB-CD1 4.12Å; Q251-I269 HydrophobicContact CB-CG1 4.02Å; Q251-I269 PolarHBondContact N-O 2.99Å; Q251-I269 PolarHBondContact O-N 2.89Å; I269-T367 HydrophobicContact CB-CG2 4.37Å; I269-T367 HydrophobicContact CG1-CG2 4.08Å; I269-T367 HydrophobicContact CG2-CG2 4.2Å; I269-T374 HydrophobicContact CD1-CG2 3.65Å; I269-T374 HydrophobicContact CG1-CG2 3.72Å; I269-Q377 HydrophobicContact CD1-CB 3.9Å; I269-W378 HydrophobicContact CG2-CB 3.75Å; I269-W378 HydrophobicContact CG2-CG 4.25Å
270V95.4Very high87.4Confident0 Ų053.7 Ų53.70%030%0.297CS..EExtended strand (participates in β ladder)trans-121.5127.7176.3-172.50000108.2V229 A232 I233 L236 T247 V249 C365 M366V229-V270 HydrophobicContact CG1-CG2 4.03Å; A232-V270 HydrophobicContact CB-CB 4.11Å; A232-V270 HydrophobicContact CB-CG2 4.01Å; I233-V270 HydrophobicContact CG1-CG1 3.93Å; L236-V270 HydrophobicContact CD1-CB 4.13Å; L236-V270 HydrophobicContact CD1-CG1 3.72Å; T247-V270 HydrophobicContact CG2-CG1 3.42Å; T247-V270 VanDerWaalsContact CG2-CG1 3.42Å; V249-V270 HydrophobicContact CG2-CG1 4.48Å; V249-V270 HydrophobicContact CG2-CG2 4.4Å; V270-C365 CarbonylContact O-C 3.58Å; V270-C365 VanDerWaalsContact O-CA 3.26Å; V270-C365 WeakPolarHBondContact O-CA 3.47Å; V270-C365 PolarHBondContact O-SG 2.98Å; V270-M366 PolarHBondContact N-O 3.3Å; V270-M366 PolarHBondContact O-N 3.48Å
271G95.3Very high88.3Confident0 Ų049.3 Ų49.30%027%0.266CS..EExtended strand (participates in β ladder)trans-117.1160.3174.700000111.8T247 T248 M364T247-G271 CarbonylContact C-O 3.52Å; T247-G271 WeakPolarHBondContact CA-O 3.42Å; T247-G271 WeakPolarHBondContact CG2-O 3.4Å; T248-G271 PolarHBondContact N-O 3.25Å; T248-G271 PolarHBondContact O-N 2.99Å; T248-G271 PolarHBondContact OG1-O 3.43Å; G271-M364 CarbonylContact C-O 3.59Å; G271-M364 VanDerWaalsContact CA-O 3.3Å; G271-M364 WeakPolarHBondContact CA-O 3.19Å
272I96.1Very high89Confident2 Ų249.8 Ų49.81%0.0127%0.265CS..EExtended strand (participates in β ladder)trans-135.3137.2171.3-169.4161.5000109.4L236 N237 A240 A245 M364L236-I272 HydrophobicContact CB-CB 4.07Å; L236-I272 HydrophobicContact CB-CD1 4.16Å; L236-I272 HydrophobicContact CB-CG2 3.88Å; L236-I272 HydrophobicContact CD1-CB 4.27Å; L236-I272 HydrophobicContact CD1-CG2 4.27Å; L236-I272 HydrophobicContact CD2-CG2 3.81Å; L236-I272 HydrophobicContact CG-CG2 4.19Å; N237-I272 WeakPolarHBondContact OD1-CD1 3.38Å; A240-I272 HydrophobicContact CB-CD1 3.67Å; A240-I272 HydrophobicContact CB-CG1 4.44Å; A245-I272 HydrophobicContact CB-CD1 3.92Å; A245-I272 HydrophobicContact CB-CG1 3.86Å; I272-M364 HydrophobicContact CG2-CB 3.82Å; I272-M364 HydrophobicContact CG2-CE 3.89Å; I272-M364 PolarHBondContact N-O 3.46Å; I272-M364 PolarHBondContact O-N 2.91Å; I272-M364 VanDerWaalsContact O-N 3.17Å
273Q94.9Very high89.7Confident12 Ų1250.4 Ų50.46%0.05627%0.266CS..EExtended strand (participates in β ladder)trans-149.1138.4177.8-168.317439.500110.5K246 Q277 M278 F362 A363 N386K246-Q273 PolarHBondContact N-O 3.2Å; K246-Q273 PolarHBondContact O-N 3.39Å; Q273-Q277 HydrophobicContact CG-CB 4Å; Q273-M278 HydrophobicContact CG-CG 3.81Å; Q273-M278 VanDerWaalsContact OE1-CG 3.3Å; Q273-F362 WeakPolarHBondContact CG-O 3.42Å; Q273-F362 PolarHBondContact NE2-O 3.44Å; Q273-F362 VanDerWaalsContact NE2-O 3.09Å; Q273-A363 HydrophobicContact CG-CB 4.5Å; Q273-N386 PolarHBondContact NE2-ND2 3Å; Q273-N386 VanDerWaalsContact NE2-ND2 3.15Å; Q273-N386 PolarHBondContact OE1-ND2 2.86Å
274S94.2Very high90.3Very high1 Ų143.7 Ų43.71%0.00723%0.234CC..  trans-93.1156.9172.478.10000112.5D242 N276 Q277 M278D242-S274 WeakPolarHBondContact OD2-CB 3.21Å; D242-S274 PolarHBondContact OD2-OG 3.41Å; S274-N276 VanDerWaalsContact C-N 3.26Å; S274-N276 PolarHBondContact O-N 3.4Å; S274-Q277 WeakPolarHBondContact O-CB 3.47Å; S274-Q277 PolarHBondContact O-N 2.93Å; S274-Q277 VanDerWaalsContact O-N 3.13Å; S274-Q277 VanDerWaalsContact OG-CG 3.27Å; S274-Q277 WeakPolarHBondContact OG-CG 3.16Å; S274-Q277 PolarHBondContact OG-N 3.05Å; S274-M278 PolarHBondContact O-N 3.07Å
275P93.1Very high90.8Very high51 Ų5142.4 Ų42.433%0.33123%0.228SC..Hα-helixtrans-56.8-40.7175-24.734.5000112.5D244 Q277 M278 E279D244-P275 HydrophobicContact CB-CG 4.41Å; D244-P275 WeakPolarHBondContact O-CD 3.42Å; P275-Q277 VanDerWaalsContact C-N 3.31Å; P275-Q277 PolarHBondContact O-N 3.07Å; P275-M278 WeakPolarHBondContact O-CB 3.42Å; P275-M278 PolarHBondContact O-N 3.32Å; P275-M278 VanDerWaalsContact O-N 3.12Å; P275-E279 WeakPolarHBondContact O-CG 3.12Å; P275-E279 PolarHBondContact O-N 2.82Å
276N90.9Very high91.2Very high93 Ų9340.9 Ų40.950%0.49722%0.216SC..Hα-helixtrans-61.1-41.4176.5-64.9-11.1000111.3S274 M278 E279 L280S274-N276 VanDerWaalsContact C-N 3.26Å; S274-N276 PolarHBondContact O-N 3.4Å; N276-M278 VanDerWaalsContact C-N 3.33Å; N276-M278 PolarHBondContact O-N 3.38Å; N276-E279 PolarHBondContact O-N 3.21Å; N276-L280 WeakPolarHBondContact O-CB 3.26Å; N276-L280 VanDerWaalsContact O-CG 3.28Å; N276-L280 WeakPolarHBondContact O-CG 3.46Å; N276-L280 PolarHBondContact O-N 3.24Å
277Q92.6Very high91.5Very high24 Ų2444.8 Ų44.811%0.11224%0.24CC..Hα-helixtrans-64.6-36.2175.3-73.8176.5-38.300112.9Q273 S274 P275 L281 V361 F362Q273-Q277 HydrophobicContact CG-CB 4Å; S274-Q277 WeakPolarHBondContact O-CB 3.47Å; S274-Q277 PolarHBondContact O-N 2.93Å; S274-Q277 VanDerWaalsContact O-N 3.13Å; S274-Q277 VanDerWaalsContact OG-CG 3.27Å; S274-Q277 WeakPolarHBondContact OG-CG 3.16Å; S274-Q277 PolarHBondContact OG-N 3.05Å; P275-Q277 VanDerWaalsContact C-N 3.31Å; P275-Q277 PolarHBondContact O-N 3.07Å; Q277-L281 WeakPolarHBondContact O-CB 3.4Å; Q277-L281 PolarHBondContact O-N 3.21Å; Q277-V361 PolarHBondContact NE2-O 3.26Å; Q277-V361 VanDerWaalsContact NE2-O 3.08Å; Q277-F362 VanDerWaalsContact CB-O 3.31Å; Q277-F362 WeakPolarHBondContact CB-O 3.32Å
278M91.9Very high91.6Very high61 Ų6147.6 Ų47.630%0.325%0.249SC..Hα-helixtrans-64.3-43.6173.4-65.8178.561.400111.4Q273 S274 P275 N276 L281 A282 N385Q273-M278 HydrophobicContact CG-CG 3.81Å; Q273-M278 VanDerWaalsContact OE1-CG 3.3Å; S274-M278 PolarHBondContact O-N 3.07Å; P275-M278 WeakPolarHBondContact O-CB 3.42Å; P275-M278 PolarHBondContact O-N 3.32Å; P275-M278 VanDerWaalsContact O-N 3.12Å; N276-M278 VanDerWaalsContact C-N 3.33Å; N276-M278 PolarHBondContact O-N 3.38Å; M278-L281 PolarHBondContact O-N 2.88Å; M278-A282 WeakPolarHBondContact O-CB 3.39Å; M278-A282 PolarHBondContact O-N 2.89Å; M278-N385 HydrophobicContact CE-CB 3.88Å
279E91.4Very high91.7Very high116 Ų11648.4 Ų48.454%0.54226%0.256SS..Hα-helixtrans-64.5-42.9177-70.1179.3-169.400111.9P275 N276 L281 A282 K283P275-E279 WeakPolarHBondContact O-CG 3.12Å; P275-E279 PolarHBondContact O-N 2.82Å; N276-E279 PolarHBondContact O-N 3.21Å; E279-L281 VanDerWaalsContact C-N 3.33Å; E279-L281 PolarHBondContact O-N 3.39Å; E279-A282 PolarHBondContact O-N 3.45Å; E279-K283 WeakPolarHBondContact O-CG 3.47Å; E279-K283 PolarHBondContact O-N 3.4Å
280L89.7Confident91.7Very high89 Ų8948.3 Ų48.347%0.46626%0.256SS..Hα-helixtrans-60.3-44.2174.5-74.4172.8000111.4N276 A282 K283 H284 F362N276-L280 WeakPolarHBondContact O-CB 3.26Å; N276-L280 VanDerWaalsContact O-CG 3.28Å; N276-L280 WeakPolarHBondContact O-CG 3.46Å; N276-L280 PolarHBondContact O-N 3.24Å; L280-A282 VanDerWaalsContact C-N 3.32Å; L280-A282 PolarHBondContact O-N 3.14Å; L280-K283 PolarHBondContact O-N 2.66Å; L280-H284 PolarHBondContact O-N 2.61Å; L280-H284 VanDerWaalsContact O-N 3.15Å; L280-F362 HydrophobicContact CB-CD1 4.28Å; L280-F362 HydrophobicContact CB-CE1 4.14Å
281L91.2Very high91.6Very high0 Ų048.8 Ų48.80%026%0.258CS..Hα-helixtrans-65.9-36.7176.9-174.960.1000111.5Q277 M278 E279 K283 H284 F362 N386 I388 L389 I392Q277-L281 WeakPolarHBondContact O-CB 3.4Å; Q277-L281 PolarHBondContact O-N 3.21Å; M278-L281 PolarHBondContact O-N 2.88Å; E279-L281 VanDerWaalsContact C-N 3.33Å; E279-L281 PolarHBondContact O-N 3.39Å; L281-K283 VanDerWaalsContact C-N 3.32Å; L281-K283 PolarHBondContact O-N 3.36Å; L281-H284 VanDerWaalsContact O-CB 3.25Å; L281-H284 WeakPolarHBondContact O-CB 3.29Å; L281-H284 PolarHBondContact O-N 3.02Å; L281-F362 HydrophobicContact CB-CB 4.39Å; L281-F362 HydrophobicContact CB-CD1 3.72Å; L281-F362 HydrophobicContact CB-CE1 4.18Å; L281-F362 HydrophobicContact CB-CG 4.15Å; L281-F362 HydrophobicContact CD1-CB 4.27Å; L281-F362 HydrophobicContact CD1-CD1 3.99Å; L281-F362 HydrophobicContact CD1-CD2 3.78Å; L281-F362 HydrophobicContact CD1-CE1 4.2Å; L281-F362 HydrophobicContact CD1-CE2 3.96Å; L281-F362 HydrophobicContact CD1-CG 3.77Å; L281-F362 HydrophobicContact CD1-CZ 4.18Å; L281-F362 HydrophobicContact CD2-CB 4.4Å; L281-F362 HydrophobicContact CG-CD1 4.41Å; L281-F362 HydrophobicContact CG-CG 4.42Å; L281-N386 HydrophobicContact CD2-CB 3.71Å; L281-I388 HydrophobicContact CD1-CG2 4.43Å; L281-I388 HydrophobicContact CG-CG2 3.92Å; L281-I388 WeakPolarHBondContact O-CG2 3.42Å; L281-L389 HydrophobicContact CD1-CD2 3.99Å; L281-L389 HydrophobicContact CD2-CD1 4.04Å; L281-L389 HydrophobicContact CD2-CD2 3.98Å; L281-L389 HydrophobicContact CD2-CG 3.94Å; L281-L389 HydrophobicContact CG-CD2 4.44Å; L281-I392 HydrophobicContact CD1-CD1 4.37Å
282A90.8Very high91.5Very high64 Ų6448.8 Ų48.853%0.52926%0.258SS..Hα-helixtrans-67.2-30.1176.500000113.3M278 E279 L280 I388M278-A282 WeakPolarHBondContact O-CB 3.39Å; M278-A282 PolarHBondContact O-N 2.89Å; E279-A282 PolarHBondContact O-N 3.45Å; L280-A282 VanDerWaalsContact C-N 3.32Å; L280-A282 PolarHBondContact O-N 3.14Å; A282-I388 WeakPolarHBondContact O-CD1 3.48Å
283K89.4Confident91.4Very high145 Ų14550.1 Ų50.163%0.6326%0.264SS*.Hα-helixtrans-81.3-13.5173.6-68.4177.5-178-178.20113.1E279 L280 L281E279-K283 WeakPolarHBondContact O-CG 3.47Å; E279-K283 PolarHBondContact O-N 3.4Å; L280-K283 PolarHBondContact O-N 2.66Å; L281-K283 VanDerWaalsContact C-N 3.32Å; L281-K283 PolarHBondContact O-N 3.36Å
284H89.4Confident91.1Very high16 Ų1649.7 Ų49.77%0.07426%0.262CS..SBendtrans-63.9140.7-175.2-173.568.2000112.4L280 L281 P286 R288 F362 I388L280-H284 PolarHBondContact O-N 2.61Å; L280-H284 VanDerWaalsContact O-N 3.15Å; L281-H284 VanDerWaalsContact O-CB 3.25Å; L281-H284 WeakPolarHBondContact O-CB 3.29Å; L281-H284 PolarHBondContact O-N 3.02Å; H284-P286 VanDerWaalsContact O-CD 3.3Å; H284-P286 WeakPolarHBondContact O-CD 3.23Å; H284-R288 PolarHBondContact NE2-O 2.95Å; H284-R288 VanDerWaalsContact NE2-O 3.12Å; H284-F362 HydrophobicContact CB-CZ 4.11Å; H284-F362 AromaticContact CG-CZ 3.91Å; H284-F362 AromaticContact ND1-CZ 3.75Å; H284-I388 WeakPolarHBondContact O-CD1 3.23Å
285N87.7Confident91Very high49 Ų4951.2 Ų51.226%0.26227%0.272SS..  trans-69.9119.5-179.5-173.4-20000110.9N287 R288N285-N287 PolarHBondContact O-N 3.11Å; N285-N287 WeakPolarHBondContact OD1-CB 3.41Å; N285-N287 PolarHBondContact OD1-N 3.27Å; N285-N287 VanDerWaalsContact OD1-N 3.08Å; N285-R288 PolarHBondContact O-N 3.46Å
286P88.1Confident91Very high50 Ų5051.8 Ų51.833%0.32527%0.27SS..THydrogen-bonded Turntrans-58.8-23.2-179-26.135.7000115.4H284 R288 I388 R391 I392H284-P286 VanDerWaalsContact O-CD 3.3Å; H284-P286 WeakPolarHBondContact O-CD 3.23Å; P286-R288 PolarHBondContact O-N 3.43Å; P286-I388 HydrophobicContact CG-CD1 4.4Å; P286-I388 HydrophobicContact CG-CG1 4.5Å; P286-R391 HydrophobicContact CB-CB 4.44Å; P286-I392 HydrophobicContact CB-CG1 4.47Å
287N88Confident91Very high141 Ų14151 Ų5175%0.75427%0.27SS*.THydrogen-bonded Turntrans-76.8-12.1-179-63.8-34.6000113N285N285-N287 PolarHBondContact O-N 3.11Å; N285-N287 WeakPolarHBondContact OD1-CB 3.41Å; N285-N287 PolarHBondContact OD1-N 3.27Å; N285-N287 VanDerWaalsContact OD1-N 3.08Å
288R88.9Confident91Very high68 Ų6851.3 Ų51.326%0.25727%0.272SS..SBendtrans-103.9129.5179.2-70.4-163.7-176.3134.415.6111.2H284 N285 P286 P316 E319 I392H284-R288 PolarHBondContact NE2-O 2.95Å; H284-R288 VanDerWaalsContact NE2-O 3.12Å; N285-R288 PolarHBondContact O-N 3.46Å; P286-R288 PolarHBondContact O-N 3.43Å; R288-P316 VanDerWaalsContact NH2-CG 3.28Å; R288-E319 IonicContact CZ-OE1 2.69Å; R288-E319 IonicContact CZ-OE2 3.86Å; R288-E319 IonicContact NH1-OE2 2.85Å; R288-E319 PolarHBondContact NH1-OE2 3.22Å; R288-E319 IonicContact NH2-OE1 3.09Å; R288-E319 PolarHBondContact NH2-OE1 3.3Å; R288-E319 IonicContact NH2-OE2 3.82Å; R288-E319 PolarHBondContact NH2-OE2 3.5Å; R288-I392 WeakPolarHBondContact O-CG2 3.43Å
289P92Very high91Very high33 Ų3355.4 Ų55.421%0.21428%0.284CS..  trans-65.6155.5-179.928.4-34.5000112.1F291 P393 L395P289-F291 HydrophobicContact CB-CZ 4.27Å; P289-F291 HydrophobicContact CG-CE1 4.34Å; P289-F291 HydrophobicContact CG-CE2 4.27Å; P289-F291 HydrophobicContact CG-CZ 3.71Å; P289-P393 CarbonylContact C-O 3.52Å; P289-P393 WeakPolarHBondContact CA-O 3.43Å; P289-P393 HydrophobicContact CB-CB 4.39Å; P289-P393 HydrophobicContact CB-CG 3.99Å; P289-P393 VanDerWaalsContact CB-O 3.29Å; P289-P393 WeakPolarHBondContact CB-O 2.95Å; P289-L395 HydrophobicContact CB-CD1 3.75Å; P289-L395 HydrophobicContact CB-CG 4.1Å; P289-L395 HydrophobicContact CG-CD1 4.04Å
290V93.8Very high90.8Very high0 Ų050 Ų500%026%0.259CS..EExtended strand (participates in β ladder)trans-108.3142.8165.1-166.30000108.6L310 R311 F362 I392 P393 T394 L395V290-L310 HydrophobicContact CB-CD1 4.07Å; V290-L310 HydrophobicContact CG1-CD1 3.31Å; V290-L310 HydrophobicContact CG1-CD2 4.31Å; V290-L310 HydrophobicContact CG1-CG 3.5Å; V290-R311 WeakPolarHBondContact CG1-O 3.39Å; V290-F362 HydrophobicContact CG1-CD2 3.78Å; V290-F362 HydrophobicContact CG1-CE2 3.96Å; V290-F362 HydrophobicContact CG2-CE2 4.14Å; V290-I392 HydrophobicContact CB-CG2 4.43Å; V290-I392 HydrophobicContact CG2-CD1 4.38Å; V290-I392 HydrophobicContact CG2-CG2 3.59Å; V290-P393 PolarHBondContact N-O 3.37Å; V290-T394 WeakPolarHBondContact O-CA 3.43Å; V290-L395 PolarHBondContact O-N 2.95Å
291F93.6Very high90.6Very high10 Ų1050.2 Ų50.24%0.04426%0.256CS..EExtended strand (participates in β ladder)trans-105.5134.3-177.6-54.7-79.7000110.8P289 E293 L310 R311 D313 L395 R397P289-F291 HydrophobicContact CB-CZ 4.27Å; P289-F291 HydrophobicContact CG-CE1 4.34Å; P289-F291 HydrophobicContact CG-CE2 4.27Å; P289-F291 HydrophobicContact CG-CZ 3.71Å; F291-E293 HydrophobicContact CB-CG 4.08Å; F291-L310 CarbonylContact O-C 3.25Å; F291-L310 WeakPolarHBondContact O-CA 3.32Å; F291-R311 WeakPolarHBondContact CA-O 3.32Å; F291-R311 PolarHBondContact N-O 3.16Å; F291-R311 PolarHBondContact O-N 3.5Å; F291-D313 WeakPolarHBondContact CE2-OD1 3.17Å; F291-D313 WeakPolarHBondContact CE2-OD2 3.5Å; F291-L395 CarbonylContact C-O 3.55Å; F291-L395 VanDerWaalsContact CA-O 3.26Å; F291-L395 WeakPolarHBondContact CA-O 3.48Å; F291-L395 HydrophobicContact CD1-CB 3.7Å; F291-L395 HydrophobicContact CD1-CD1 4.26Å; F291-L395 HydrophobicContact CE1-CB 3.9Å; F291-L395 HydrophobicContact CE1-CD1 3.55Å; F291-L395 HydrophobicContact CE1-CG 4.31Å; F291-L395 HydrophobicContact CZ-CD1 4.31Å; F291-R397 HydrophobicContact CD1-CG 4.05Å; F291-R397 VanDerWaalsContact CE1-CZ 3.45Å
292V94.4Very high90.3Very high0 Ų056.6 Ų56.60%028%0.284CS..EExtended strand (participates in β ladder)trans-94.4111.3163.8179.50000107.3I309 L310 L375 W378 I379 L395 F396 R397V292-I309 CarbonylContact C-O 3.59Å; V292-I309 WeakPolarHBondContact CA-O 3.47Å; V292-L310 HydrophobicContact CG2-CD1 3.8Å; V292-L375 HydrophobicContact CG1-CB 4.48Å; V292-L375 HydrophobicContact CG1-CD1 3.97Å; V292-W378 HydrophobicContact CG1-CZ3 4.09Å; V292-W378 HydrophobicContact CG2-CZ3 4.32Å; V292-I379 HydrophobicContact CG2-CD1 3.89Å; V292-I379 HydrophobicContact CG2-CG1 4.19Å; V292-L395 PolarHBondContact N-O 3.08Å; V292-F396 HydrophobicContact CB-CD1 3.72Å; V292-F396 HydrophobicContact CB-CE1 3.93Å; V292-F396 HydrophobicContact CG1-CD1 4.07Å; V292-F396 HydrophobicContact CG1-CE1 4.2Å; V292-F396 HydrophobicContact CG2-CD1 4.12Å; V292-F396 HydrophobicContact CG2-CE1 3.83Å; V292-R397 CarbonylContact O-C 3.47Å; V292-R397 PolarHBondContact O-N 3.2Å
293E92.3Very high90.2Very high30 Ų3056.3 Ų56.314%0.1428%0.276CS..EExtended strand (participates in β ladder)trans-110.8143.2-176.1-66.8-17716900110.8F291 F296 Y308 I309 R397F291-E293 HydrophobicContact CB-CG 4.08Å; E293-F296 HydrophobicContact CB-CE2 3.95Å; E293-F296 HydrophobicContact CB-CZ 4.07Å; E293-Y308 CarbonylContact O-C 3.6Å; E293-Y308 WeakPolarHBondContact O-CA 3.4Å; E293-I309 PolarHBondContact N-O 2.65Å; E293-I309 PolarHBondContact O-N 2.82Å; E293-R397 HydrophobicContact CG-CB 4.04Å; E293-R397 WeakPolarHBondContact OE1-CD 3.32Å; E293-R397 IonicContact OE1-CZ 2.79Å; E293-R397 IonicContact OE1-NH1 2.94Å; E293-R397 PolarHBondContact OE1-NH1 2.91Å
294G89.2Confident90.2Very high2 Ų250.9 Ų50.92%0.02126%0.255CS..EExtended strand (participates in β ladder)trans148.8-175.6179.100000111.7L398 D399G294-L398 WeakPolarHBondContact O-CA 3.2Å; G294-D399 PolarHBondContact O-N 3.29Å
295P92.7Very high90.3Very high33 Ų3351.4 Ų51.421%0.21426%0.26CS..EExtended strand (participates in β ladder)cis-78.2133.91.728.8-31.7000113.4Y306 Y308 D399P295-Y306 HydrophobicContact CB-CD1 3.98Å; P295-Y306 HydrophobicContact CB-CG 4.17Å; P295-Y308 HydrophobicContact CB-CE1 3.89Å; P295-D399 VanDerWaalsContact CD-O 3.26Å; P295-D399 WeakPolarHBondContact CD-O 3.13Å
296F92Very high90.6Very high64 Ų6451 Ų5128%0.28126%0.255SS..EExtended strand (participates in β ladder)trans-98.5129.2172.5-63.3-71.1000111.2E293 Y306 Y307 I309E293-F296 HydrophobicContact CB-CE2 3.95Å; E293-F296 HydrophobicContact CB-CZ 4.07Å; F296-Y306 VanDerWaalsContact O-CA 3.32Å; F296-Y306 WeakPolarHBondContact O-CA 3.43Å; F296-Y307 HydrophobicContact CB-CD1 3.81Å; F296-Y307 HydrophobicContact CB-CD2 4.4Å; F296-Y307 HydrophobicContact CB-CE1 3.35Å; F296-Y307 HydrophobicContact CB-CE2 4.02Å; F296-Y307 HydrophobicContact CB-CG 4.29Å; F296-Y307 VanDerWaalsContact CB-CZ 3.45Å; F296-Y307 HydrophobicContact CD2-CE2 4.15Å; F296-Y307 HydrophobicContact CG-CE1 4.46Å; F296-Y307 HydrophobicContact CG-CE2 4.4Å; F296-Y307 PolarHBondContact N-O 3.18Å; F296-Y307 WeakPolarHBondContact O-CD1 3.3Å; F296-Y307 PolarHBondContact O-N 3.33Å; F296-I309 HydrophobicContact CD2-CD1 3.71Å; F296-I309 HydrophobicContact CD2-CG1 3.84Å; F296-I309 HydrophobicContact CE2-CB 4.31Å; F296-I309 HydrophobicContact CE2-CD1 3.58Å; F296-I309 HydrophobicContact CE2-CG1 3.83Å; F296-I309 HydrophobicContact CZ-CD1 4.4Å
297P92.8Very high90.9Very high77 Ų7750.9 Ų50.950%0.525%0.248SC..EExtended strand (participates in β ladder)trans-77.7132.3-179.630.2-33.6000111.9Y306P297-Y306 HydrophobicContact CB-CD1 4.24Å; P297-Y306 HydrophobicContact CB-CE1 3.97Å
298L91.9Very high91.2Very high29 Ų2944.8 Ų44.815%0.15222%0.215CC..EExtended strand (participates in β ladder)trans-123.9117.5173.3176.767.4000109.5I239 V305 Y307 M366I239-L298 HydrophobicContact CG2-CD1 3.77Å; I239-L298 HydrophobicContact CG2-CD2 3.76Å; I239-L298 HydrophobicContact CG2-CG 4.42Å; L298-V305 WeakPolarHBondContact CA-O 3.24Å; L298-V305 HydrophobicContact CB-CG2 4.05Å; L298-V305 HydrophobicContact CD2-CG2 4.14Å; L298-V305 HydrophobicContact CG-CG2 4.29Å; L298-V305 PolarHBondContact N-O 3.24Å; L298-V305 WeakPolarHBondContact O-CG2 3.41Å; L298-V305 PolarHBondContact O-N 3.04Å; L298-Y307 HydrophobicContact CB-CD1 4.01Å; L298-Y307 HydrophobicContact CB-CE1 4.2Å; L298-M366 HydrophobicContact CD2-CE 3.6Å
299W91.1Very high91.5Very high147 Ų14742.7 Ų42.756%0.55721%0.208SC*.EExtended strand (participates in β ladder)trans-91.3111.6179.5-73.489.8000111.8C304 L405W299-C304 HydrophobicContact CD2-CB 3.86Å; W299-C304 HydrophobicContact CE3-CB 3.81Å; W299-C304 HydrophobicContact CH2-CB 3.68Å; W299-C304 HydrophobicContact CZ2-CB 3.71Å; W299-C304 HydrophobicContact CZ3-CB 3.72Å; W299-L405 HydrophobicContact CH2-CD1 4.25Å; W299-L405 HydrophobicContact CZ2-CD1 4.1Å
300L88.3Confident91.6Very high3 Ų341.1 Ų41.12%0.01620%0.198CC..EExtended strand (participates in β ladder)trans-98.191.1166.2-68.3-171.7000109.9L224 L231 S235 K302 T303L224-L300 HydrophobicContact CD1-CB 4.4Å; L224-L300 WeakPolarHBondContact CD1-O 3.44Å; L231-L300 HydrophobicContact CD2-CD1 4.16Å; L231-L300 HydrophobicContact CG-CD1 4.37Å; S235-L300 WeakPolarHBondContact OG-CD1 3.18Å; L300-K302 PolarHBondContact O-N 2.9Å; L300-T303 PolarHBondContact N-O 3.07Å; L300-T303 PolarHBondContact O-N 2.74Å; L300-T303 PolarHBondContact O-OG1 3.15Å
301K85.1Confident91.6Very high94 Ų9443.2 Ų43.241%0.40921%0.206SC..THydrogen-bonded Turntrans58.9-94.6-176.3-58.8173.9177.8161.60112.3V220 P221 L224V220-K301 HydrophobicContact CG1-CD 4.37Å; V220-K301 PolarHBondContact O-NZ 3.33Å; P221-K301 PolarHBondContact O-NZ 3.39Å; L224-K301 HydrophobicContact CD1-CD 4.35Å; L224-K301 HydrophobicContact CG-CD 4.4Å
302K84.1Confident91.5Very high133 Ų13342.8 Ų42.858%0.57820%0.204SC*.THydrogen-bonded Turntrans-106.9-15.9-177.7-64.7-171.6177-170.10112.3L300L300-K302 PolarHBondContact O-N 2.9Å
303T88.6Confident91.2Very high59 Ų5946.1 Ų46.136%0.36222%0.222SC..EExtended strand (participates in β ladder)trans-94.9127.9178.916.30000109.3L224 L300L224-T303 VanDerWaalsContact CD1-OG1 3.23Å; L224-T303 WeakPolarHBondContact CD1-OG1 3.43Å; L300-T303 PolarHBondContact N-O 3.07Å; L300-T303 PolarHBondContact O-N 2.74Å; L300-T303 PolarHBondContact O-OG1 3.15Å
304C90.7Very high90.8Very high30 Ų3047.3 Ų47.320%0.20323%0.232CC..EExtended strand (participates in β ladder)trans-94.9128.2168.7-170.60000107.8W299W299-C304 HydrophobicContact CD2-CB 3.86Å; W299-C304 HydrophobicContact CE3-CB 3.81Å; W299-C304 HydrophobicContact CH2-CB 3.68Å; W299-C304 HydrophobicContact CZ2-CB 3.71Å; W299-C304 HydrophobicContact CZ3-CB 3.72Å
305V91.7Very high90.3Very high27 Ų2750.1 Ų50.116%0.16425%0.249CC..EExtended strand (participates in β ladder)trans-124.9154.8173-660000110.4L231 L298L231-V305 HydrophobicContact CD2-CB 4.29Å; L231-V305 HydrophobicContact CD2-CG1 3.37Å; L231-V305 HydrophobicContact CD2-CG2 4.26Å; L298-V305 WeakPolarHBondContact CA-O 3.24Å; L298-V305 HydrophobicContact CB-CG2 4.05Å; L298-V305 HydrophobicContact CD2-CG2 4.14Å; L298-V305 HydrophobicContact CG-CG2 4.29Å; L298-V305 PolarHBondContact N-O 3.24Å; L298-V305 WeakPolarHBondContact O-CG2 3.41Å; L298-V305 PolarHBondContact O-N 3.04Å
306Y92.8Very high89.5Confident42 Ų4250.5 Ų50.517%0.16525%0.252CS..EExtended strand (participates in β ladder)trans-112.1141.3-175.2-60-78.6000110.8P295 F296 P297 M366P295-Y306 HydrophobicContact CB-CD1 3.98Å; P295-Y306 HydrophobicContact CB-CG 4.17Å; F296-Y306 VanDerWaalsContact O-CA 3.32Å; F296-Y306 WeakPolarHBondContact O-CA 3.43Å; P297-Y306 HydrophobicContact CB-CD1 4.24Å; P297-Y306 HydrophobicContact CB-CE1 3.97Å; Y306-M366 WeakPolarHBondContact O-CG 3.3Å
307Y94.7Very high88.5Confident46 Ų4652.5 Ų52.518%0.1827%0.271CS..EExtended strand (participates in β ladder)trans-129.8157175.772.8-81.2000111.6I239 F296 L298 I309 C365 M366I239-Y307 HydrophobicContact CD1-CD1 4.32Å; I239-Y307 HydrophobicContact CD1-CD2 3.76Å; I239-Y307 HydrophobicContact CD1-CE2 4Å; I239-Y307 HydrophobicContact CD1-CG 3.94Å; F296-Y307 HydrophobicContact CB-CD1 3.81Å; F296-Y307 HydrophobicContact CB-CD2 4.4Å; F296-Y307 HydrophobicContact CB-CE1 3.35Å; F296-Y307 HydrophobicContact CB-CE2 4.02Å; F296-Y307 HydrophobicContact CB-CG 4.29Å; F296-Y307 VanDerWaalsContact CB-CZ 3.45Å; F296-Y307 HydrophobicContact CD2-CE2 4.15Å; F296-Y307 HydrophobicContact CG-CE1 4.46Å; F296-Y307 HydrophobicContact CG-CE2 4.4Å; F296-Y307 PolarHBondContact N-O 3.18Å; F296-Y307 WeakPolarHBondContact O-CD1 3.3Å; F296-Y307 PolarHBondContact O-N 3.33Å; L298-Y307 HydrophobicContact CB-CD1 4.01Å; L298-Y307 HydrophobicContact CB-CE1 4.2Å; Y307-I309 HydrophobicContact CD2-CD1 4.36Å; Y307-I309 HydrophobicContact CD2-CG1 3.85Å; Y307-I309 HydrophobicContact CE2-CD1 3.6Å; Y307-I309 HydrophobicContact CE2-CG1 3.6Å; Y307-C365 CarbonylContact C-O 3.23Å; Y307-C365 VanDerWaalsContact CA-O 3.27Å; Y307-C365 WeakPolarHBondContact CA-O 3.45Å; Y307-C365 WeakPolarHBondContact CB-O 2.86Å; Y307-M366 HydrophobicContact CD1-CE 4.41Å; Y307-M366 HydrophobicContact CG-CE 4.19Å
308Y95.1Very high87.3Confident14 Ų1457.7 Ų57.76%0.05529%0.289CS..EExtended strand (participates in β ladder)trans-119.4148.3179.6-56.8-87000108.9E293 P295 M364 C365 G370 L375 L398E293-Y308 CarbonylContact O-C 3.6Å; E293-Y308 WeakPolarHBondContact O-CA 3.4Å; P295-Y308 HydrophobicContact CB-CE1 3.89Å; Y308-M364 CarbonylContact O-C 3.59Å; Y308-M364 VanDerWaalsContact O-CA 3.3Å; Y308-M364 WeakPolarHBondContact O-CA 3.46Å; Y308-C365 PolarHBondContact N-O 2.71Å; Y308-C365 PolarHBondContact O-N 3.44Å; Y308-G370 WeakPolarHBondContact OH-CA 3.45Å; Y308-L375 HydrophobicContact CD1-CD1 3.86Å; Y308-L375 HydrophobicContact CD1-CD2 4.19Å; Y308-L375 HydrophobicContact CD2-CD2 3.78Å; Y308-L375 HydrophobicContact CE1-CD1 4.06Å; Y308-L375 HydrophobicContact CE2-CD2 4.31Å; Y308-L375 HydrophobicContact CG-CD1 4.27Å; Y308-L375 HydrophobicContact CG-CD2 3.73Å; Y308-L398 HydrophobicContact CD1-CD2 4.22Å; Y308-L398 HydrophobicContact CE1-CD2 4.24Å
309I95.1Very high86.1Confident23 Ų2360.4 Ų60.412%0.11830%0.301CS..EExtended strand (participates in β ladder)trans-123138.8-177.3-53.2178.1000108.5V292 E293 F296 Y307 R311 V361 M364V292-I309 CarbonylContact C-O 3.59Å; V292-I309 WeakPolarHBondContact CA-O 3.47Å; E293-I309 PolarHBondContact N-O 2.65Å; E293-I309 PolarHBondContact O-N 2.82Å; F296-I309 HydrophobicContact CD2-CD1 3.71Å; F296-I309 HydrophobicContact CD2-CG1 3.84Å; F296-I309 HydrophobicContact CE2-CB 4.31Å; F296-I309 HydrophobicContact CE2-CD1 3.58Å; F296-I309 HydrophobicContact CE2-CG1 3.83Å; F296-I309 HydrophobicContact CZ-CD1 4.4Å; Y307-I309 HydrophobicContact CD2-CD1 4.36Å; Y307-I309 HydrophobicContact CD2-CG1 3.85Å; Y307-I309 HydrophobicContact CE2-CD1 3.6Å; Y307-I309 HydrophobicContact CE2-CG1 3.6Å; I309-R311 HydrophobicContact CG2-CB 4.29Å; I309-V361 HydrophobicContact CG2-CB 4.13Å; I309-V361 HydrophobicContact CG2-CG1 3.34Å; I309-V361 HydrophobicContact CG2-CG2 3.77Å; I309-M364 HydrophobicContact CG1-CG 4.4Å
310L94.6Very high84.9Confident0 Ų059.7 Ų59.70%030%0.302CS..EExtended strand (participates in β ladder)trans-97.6112.1166.7-177.170.8000108.6V290 F291 V292 F362 A363 W378 I379 L382 L389V290-L310 HydrophobicContact CB-CD1 4.07Å; V290-L310 HydrophobicContact CG1-CD1 3.31Å; V290-L310 HydrophobicContact CG1-CD2 4.31Å; V290-L310 HydrophobicContact CG1-CG 3.5Å; F291-L310 CarbonylContact O-C 3.25Å; F291-L310 WeakPolarHBondContact O-CA 3.32Å; V292-L310 HydrophobicContact CG2-CD1 3.8Å; L310-F362 HydrophobicContact CD2-CB 4.14Å; L310-F362 HydrophobicContact CG-CB 4.37Å; L310-F362 HydrophobicContact CG-CD2 4.48Å; L310-F362 PolarHBondContact O-N 3.25Å; L310-A363 HydrophobicContact CB-CB 4.25Å; L310-A363 HydrophobicContact CD2-CB 4.47Å; L310-A363 PolarHBondContact N-O 3.2Å; L310-W378 HydrophobicContact CB-CH2 3.71Å; L310-W378 HydrophobicContact CB-CZ2 4.45Å; L310-W378 HydrophobicContact CB-CZ3 4.35Å; L310-I379 HydrophobicContact CD1-CD1 3.86Å; L310-I379 HydrophobicContact CD2-CD1 4.33Å; L310-L382 HydrophobicContact CD2-CD2 3.54Å; L310-L389 HydrophobicContact CD2-CD2 4.27Å
311R92.5Very high83.7Confident44 Ų4467.9 Ų67.917%0.16634%0.339CS..EExtended strand (participates in β ladder)trans-133.8145.5-171.9172174.2157.9169.4-9.3111.6V290 F291 I309 E358 P360 V361V290-R311 WeakPolarHBondContact CG1-O 3.39Å; F291-R311 WeakPolarHBondContact CA-O 3.32Å; F291-R311 PolarHBondContact N-O 3.16Å; F291-R311 PolarHBondContact O-N 3.5Å; I309-R311 HydrophobicContact CG2-CB 4.29Å; R311-E358 IonicContact NH1-OE2 2.58Å; R311-E358 PolarHBondContact NH1-OE2 2.97Å; R311-E358 VanDerWaalsContact NH1-OE2 3.09Å; R311-E358 VanDerWaalsContact NH2-CA 3.34Å; R311-P360 WeakPolarHBondContact CA-O 3.49Å; R311-V361 HydrophobicContact CB-CG2 4.49Å
312A91.3Very high82.5Confident1 Ų172 Ų721%0.00836%0.361CS..EExtended strand (participates in β ladder)trans-103.2166.9167.700000111.8G359 P360 F362A312-G359 CarbonylContact O-C 3.57Å; A312-G359 VanDerWaalsContact O-CA 3.23Å; A312-G359 WeakPolarHBondContact O-CA 3.43Å; A312-P360 HydrophobicContact CB-CG 4.29Å; A312-P360 PolarHBondContact N-O 3.49Å; A312-P360 VanDerWaalsContact N-O 3.11Å; A312-F362 HydrophobicContact CB-CE2 3.5Å; A312-F362 VanDerWaalsContact CB-CE2 3.5Å; A312-F362 HydrophobicContact CB-CZ 3.92Å
313D89.4Confident81.4Confident71 Ų7173.4 Ų73.438%0.3837%0.369SS..PPolyproline II helixtrans-64.3152.2165.9-68-27.6000110.2F291 R397F291-D313 WeakPolarHBondContact CE2-OD1 3.17Å; F291-D313 WeakPolarHBondContact CE2-OD2 3.5Å; D313-R397 IonicContact OD1-NH2 3.73Å
314P83.5Confident79.9Confident54 Ų5477.4 Ų77.435%0.35139%0.393SS..PPolyproline II helixtrans-56.3141.8-179.223.3-34.4000111.8D357P314-D357 HydrophobicContact CG-CB 4.35Å
315T77.9Confident78.5Confident62 Ų6280.4 Ų80.438%0.3840%0.401SS..PPolyproline II helixtrans-67.7124.417545.60000108.9K320T315-K320 VanDerWaalsContact O-CE 3.24Å; T315-K320 WeakPolarHBondContact O-CE 3.45Å
316P76.5Confident77.2Confident40 Ų4083.1 Ų83.126%0.2641%0.414SS..PPolyproline II helixtrans-63.9151.9178.129.5-34.8000109.1R288 E318 E319 K320R288-P316 VanDerWaalsContact NH2-CG 3.28Å; P316-E318 PolarHBondContact O-N 3.19Å; P316-E319 HydrophobicContact CG-CB 4.28Å; P316-E319 HydrophobicContact CG-CG 4.18Å; P316-E319 PolarHBondContact O-N 3.46Å; P316-K320 PolarHBondContact O-N 3.42Å
317P70.9Confident75.7Confident106 Ų10685.6 Ų85.669%0.68844%0.435SS*.G310 helixtrans-56.5-27.8-17721.9-32.9000113.1E319 K320P317-E319 VanDerWaalsContact C-N 3.3Å; P317-E319 PolarHBondContact O-N 3.49Å; P317-K320 PolarHBondContact O-N 2.9Å
318E68.4Low74.3Confident187 Ų18790 Ų9087%0.87446%0.458SS*.G310 helixtrans-66.5-27178.6-60.7179.9179.700114.2P316P316-E318 PolarHBondContact O-N 3.19Å
319E66.6Low72.9Confident86 Ų8699 Ų9940%0.40249%0.492SS..G310 helixtrans-102.5-0.4180-69.3177.4173.400112.4R288 P316 P317 E321R288-E319 IonicContact CZ-OE1 2.69Å; R288-E319 IonicContact CZ-OE2 3.86Å; R288-E319 IonicContact NH1-OE2 2.85Å; R288-E319 PolarHBondContact NH1-OE2 3.22Å; R288-E319 IonicContact NH2-OE1 3.09Å; R288-E319 PolarHBondContact NH2-OE1 3.3Å; R288-E319 IonicContact NH2-OE2 3.82Å; R288-E319 PolarHBondContact NH2-OE2 3.5Å; P316-E319 HydrophobicContact CG-CB 4.28Å; P316-E319 HydrophobicContact CG-CG 4.18Å; P316-E319 PolarHBondContact O-N 3.46Å; P317-E319 VanDerWaalsContact C-N 3.3Å; P317-E319 PolarHBondContact O-N 3.49Å; E319-E321 PolarHBondContact O-N 3.27Å
320K65.9Low71.3Confident132 Ų13299.9 Ų99.957%0.57450%0.499SS*.  trans-72.697.2172.7-69-174.9-176.7-179.80107.7T315 P316 P317 E322T315-K320 VanDerWaalsContact O-CE 3.24Å; T315-K320 WeakPolarHBondContact O-CE 3.45Å; P316-K320 PolarHBondContact O-N 3.42Å; P317-K320 PolarHBondContact O-N 2.9Å; K320-E322 PolarHBondContact O-N 2.96Å; K320-E322 VanDerWaalsContact O-N 3.08Å
321E62.5Low69.6Low174 Ų174108.6 Ų108.681%0.81354%0.537SS*.  trans-62.4109.4164.3-67-176.8175.600107.4E319 E323E319-E321 PolarHBondContact O-N 3.27Å; E321-E323 PolarHBondContact O-N 3.22Å
322E60.4Low68.3Low182 Ų182116.4 Ų116.485%0.8557%0.568SS**  trans-61.9107.9164.8-76.1-177.4173.200106.8K320 V324K320-E322 PolarHBondContact O-N 2.96Å; K320-E322 VanDerWaalsContact O-N 3.08Å; E322-V324 PolarHBondContact O-N 3.21Å
323E59.7Low66.9Low161 Ų161124.7 Ų124.775%0.75260%0.601SS**  trans-58.7110.4172.9-69.2-166.8166.500107.7E321 Y325E321-E323 PolarHBondContact O-N 3.22Å; E323-Y325 PolarHBondContact O-N 2.84Å
324V57.9Low65.5Low143 Ų143125.4 Ų125.487%0.86761%0.609SS**  trans-60107.4178.9-179.60000107.5E322 D326E322-V324 PolarHBondContact O-N 3.21Å; V324-D326 PolarHBondContact O-N 3.31Å
325Y60.7Low64.3Low93 Ų93127.9 Ų127.937%0.36562%0.619SS.*  trans-63.5125.6-178.7171.5-100.8000109.7E323 P327 L335 Q336E323-Y325 PolarHBondContact O-N 2.84Å; Y325-P327 HydrophobicContact CD1-CB 4.45Å; Y325-P327 VanDerWaalsContact CE1-CA 3.44Å; Y325-P327 HydrophobicContact CE1-CB 3.94Å; Y325-P327 WeakPolarHBondContact O-CD 3.36Å; Y325-L335 HydrophobicContact CE2-CB 3.73Å; Y325-L335 HydrophobicContact CE2-CD1 3.69Å; Y325-L335 HydrophobicContact CE2-CG 4.32Å; Y325-L335 WeakPolarHBondContact OH-CB 2.93Å; Y325-L335 WeakPolarHBondContact OH-CD1 3.47Å; Y325-Q336 HydrophobicContact CE1-CB 4.48Å
326D64.1Low63.3Low85 Ų85130.2 Ų130.246%0.45563%0.625SS.*  trans-87.6105.3173.2-179.97000109.3V324 E328 R329V324-D326 PolarHBondContact O-N 3.31Å; D326-E328 PolarHBondContact O-N 3.04Å; D326-E328 VanDerWaalsContact O-N 3.14Å; D326-E328 PolarHBondContact OD1-N 2.94Å; D326-R329 HydrophobicContact CB-CB 4.3Å; D326-R329 WeakPolarHBondContact O-CB 3.24Å; D326-R329 PolarHBondContact O-N 3.06Å
327P62.9Low62.3Low93 Ų93133.9 Ų133.960%0.60464%0.642SS**THydrogen-bonded Turntrans-63.8-17.6-17927.6-34.8000113.3Y325Y325-P327 HydrophobicContact CD1-CB 4.45Å; Y325-P327 VanDerWaalsContact CE1-CA 3.44Å; Y325-P327 HydrophobicContact CE1-CB 3.94Å; Y325-P327 WeakPolarHBondContact O-CD 3.36Å
328E63.7Low61.7Low139 Ų139134.9 Ų134.965%0.6564%0.641SS**THydrogen-bonded Turntrans-87.9-4.5-179.3-58-168.6169.300113.2D326 C330D326-E328 PolarHBondContact O-N 3.04Å; D326-E328 VanDerWaalsContact O-N 3.14Å; D326-E328 PolarHBondContact OD1-N 2.94Å; E328-C330 VanDerWaalsContact C-N 3.25Å; E328-C330 PolarHBondContact O-N 3Å
329R66.4Low61.3Low204 Ų204131.2 Ų131.277%0.7763%0.628SS**SBendtrans-67.9-19.7-174.7-157174.6-175-175.22.1114.1D326D326-R329 HydrophobicContact CB-CB 4.3Å; D326-R329 WeakPolarHBondContact O-CB 3.24Å; D326-R329 PolarHBondContact O-N 3.06Å
330C61Low60.9Low40 Ų40134.7 Ų134.727%0.2765%0.649SS.*  trans-136100.6177.5-167.70000112.2E328 Y332 Y333 L335E328-C330 VanDerWaalsContact C-N 3.25Å; E328-C330 PolarHBondContact O-N 3Å; C330-Y332 VanDerWaalsContact C-N 3.31Å; C330-Y332 PolarHBondContact O-N 3.06Å; C330-Y333 WeakPolarHBondContact CB-O 3.49Å; C330-Y333 PolarHBondContact SG-N 3.27Å; C330-Y333 PolarHBondContact SG-O 3.27Å; C330-L335 HydrophobicContact CB-CD1 3.61Å; C330-L335 HydrophobicContact CB-CD2 4.33Å; C330-L335 HydrophobicContact CB-CG 3.8Å
331F60.1Low60.6Low183 Ų183134.3 Ų134.380%0.80365%0.652SS**SBendtrans-71.1-20.7179-74.2-78.3000114.8
332Y64.6Low60.2Low209 Ų209134 Ų13482%0.8266%0.656SS**SBendtrans-101.4-25.8-171.5-74.2-83.1000113.9C330C330-Y332 VanDerWaalsContact C-N 3.31Å; C330-Y332 PolarHBondContact O-N 3.06Å
333Y61.3Low60Low175 Ų175132 Ų13269%0.68664%0.641SS**SBendtrans-137.3118.7177.7-65.6-79000108.7C330 L335C330-Y333 WeakPolarHBondContact CB-O 3.49Å; C330-Y333 PolarHBondContact SG-N 3.27Å; C330-Y333 PolarHBondContact SG-O 3.27Å; Y333-L335 PolarHBondContact O-N 3.35Å; Y333-L335 VanDerWaalsContact O-N 3.1Å
334P60.7Low60Low85 Ų85131.1 Ų131.155%0.55264%0.641SS**  trans-61.4116.7170.826-31.1000107.8Q336 L337P334-Q336 PolarHBondContact O-N 2.8Å; P334-L337 HydrophobicContact CG-CG 4.38Å
335L58.7Low60Low106 Ų106133.4 Ų133.456%0.55565%0.648SS**SBendtrans-74.4-11.8179.5-51.8146.6000111.3Y325 C330 Y333Y325-L335 HydrophobicContact CE2-CB 3.73Å; Y325-L335 HydrophobicContact CE2-CD1 3.69Å; Y325-L335 HydrophobicContact CE2-CG 4.32Å; Y325-L335 WeakPolarHBondContact OH-CB 2.93Å; Y325-L335 WeakPolarHBondContact OH-CD1 3.47Å; C330-L335 HydrophobicContact CB-CD1 3.61Å; C330-L335 HydrophobicContact CB-CD2 4.33Å; C330-L335 HydrophobicContact CB-CG 3.8Å; Y333-L335 PolarHBondContact O-N 3.35Å; Y333-L335 VanDerWaalsContact O-N 3.1Å
336Q55.8Low60Low112 Ų112132 Ų13252%0.52366%0.661SS.*SBendtrans-119.2119.8167.3-172.7171.5-7.300109.4Y325 P334 D338Y325-Q336 HydrophobicContact CE1-CB 4.48Å; P334-Q336 PolarHBondContact O-N 2.8Å; Q336-D338 PolarHBondContact NE2-OD1 2.95Å
337L56.8Low59.8Low116 Ų116133.1 Ų133.161%0.60767%0.667SS**  trans-105.990.7173.9-96.9140.2000107.1P334 L339P334-L337 HydrophobicContact CG-CG 4.38Å; L337-L339 HydrophobicContact CB-CG 4.19Å; L337-L339 HydrophobicContact CD2-CD1 4.26Å; L337-L339 HydrophobicContact CD2-CD2 3.75Å; L337-L339 HydrophobicContact CD2-CG 3.88Å; L337-L339 PolarHBondContact O-N 3.39Å
338D57Low59.6Low127 Ų127137.8 Ų137.868%0.67968%0.681SS**  trans-73.679.8164.3-75.4-7.6000107.1Q336 D340Q336-D338 PolarHBondContact NE2-OD1 2.95Å; D338-D340 PolarHBondContact O-N 3.16Å
339L61Low59.2Low111 Ų111138.4 Ų138.458%0.58168%0.684SS**  trans-78.2104.5171.1-68.6169.5000106.8L337 L341L337-L339 HydrophobicContact CB-CG 4.19Å; L337-L339 HydrophobicContact CD2-CD1 4.26Å; L337-L339 HydrophobicContact CD2-CD2 3.75Å; L337-L339 HydrophobicContact CD2-CG 3.88Å; L337-L339 PolarHBondContact O-N 3.39Å; L339-L341 HydrophobicContact CB-CD1 4.19Å; L339-L341 HydrophobicContact CB-CG 4Å; L339-L341 HydrophobicContact CD1-CD1 4.4Å; L339-L341 PolarHBondContact O-N 3.18Å
340D56.8Low58.6Low159 Ų159134.8 Ų134.885%0.8568%0.68SS**  trans-65.863.8162.2-74.2-24.1000109.1D338 D342D338-D340 PolarHBondContact O-N 3.16Å; D340-D342 PolarHBondContact O-N 2.9Å
341L60.4Low58.3Low124 Ų124141.4 Ų141.465%0.64970%0.704SS**  trans-75.8105.4161.9-65.5168.9000104.2L339 R343L339-L341 HydrophobicContact CB-CD1 4.19Å; L339-L341 HydrophobicContact CB-CG 4Å; L339-L341 HydrophobicContact CD1-CD1 4.4Å; L339-L341 PolarHBondContact O-N 3.18Å; L341-R343 WeakPolarHBondContact O-CG 3.15Å; L341-R343 PolarHBondContact O-N 2.92Å
342D54.3Low58.2Low167 Ų167139.8 Ų139.889%0.89370%0.704SS**  trans-5694.3165.2-71.1-41.5000107.3D340D340-D342 PolarHBondContact O-N 2.9Å
343R56.1Low58.1Low141 Ų141134.5 Ų134.553%0.53269%0.693SS.*  trans-73.1133.2-174.9-77.116678.1-169.30.4109.1L341 E349L341-R343 WeakPolarHBondContact O-CG 3.15Å; L341-R343 PolarHBondContact O-N 2.92Å; R343-E349 IonicContact CZ-OE1 3.63Å; R343-E349 IonicContact NH1-OE1 2.9Å; R343-E349 PolarHBondContact NH1-OE1 2.92Å; R343-E349 IonicContact NH2-OE1 3.79Å
344D60.2Low58Low141 Ų141132.6 Ų132.675%0.75470%0.695SS**  trans-65.5146.6174.5-95.2-32.1000110.1G346 D347D344-G346 PolarHBondContact O-N 3.4Å; D344-D347 PolarHBondContact O-N 3.46Å
345L57.9Low58.1Low192 Ų192135.2 Ų135.2100%1.00570%0.704SS**THydrogen-bonded Turntrans-59.69.3-175.2-66.7166.4000115.9
346G61.3Low58.4Low62 Ų62136.5 Ų136.564%0.63971%0.711SS**THydrogen-bonded Turntrans-123.4-1.8-17300000115.8D344 E348D344-G346 PolarHBondContact O-N 3.4Å; G346-E348 PolarHBondContact O-N 3.41Å
347D59.9Low58.9Low109 Ų109137.5 Ų137.558%0.58372%0.72SS**  trans-84.790.8176.3-71.4-16.5000109.5D344 E349D344-D347 PolarHBondContact O-N 3.46Å; D347-E349 PolarHBondContact O-N 3.5Å
348E57.3Low59.8Low192 Ų192137.9 Ų137.990%0.89772%0.719SS**  trans-58122.9171.9-70.6-174.8172.900109.9G346 N350G346-E348 PolarHBondContact O-N 3.41Å; E348-N350 VanDerWaalsContact C-N 3.33Å; E348-N350 PolarHBondContact O-N 2.93Å
349E56.6Low61.1Low151 Ų151132.2 Ų132.271%0.70669%0.69SS**  trans-71.2-17.5-165.3-100.9-179.9162.700116.1R343 D347R343-E349 IonicContact CZ-OE1 3.63Å; R343-E349 IonicContact NH1-OE1 2.9Å; R343-E349 PolarHBondContact NH1-OE1 2.92Å; R343-E349 IonicContact NH2-OE1 3.79Å; D347-E349 PolarHBondContact O-N 3.5Å
350N53.6Low62.4Low129 Ų129128.9 Ų128.969%0.6968%0.675SS**  trans-104105.3-169.1-149.239.6000108.9E348 D352E348-N350 VanDerWaalsContact C-N 3.33Å; E348-N350 PolarHBondContact O-N 2.93Å; N350-D352 PolarHBondContact O-N 3.27Å; N350-D352 VanDerWaalsContact O-N 3.15Å
351F54.4Low64.1Low179 Ų179123.7 Ų123.779%0.78565%0.649SS**  trans-57.3121148.7-73.9-88.3000105.3V353F351-V353 HydrophobicContact CB-CG2 3.8Å; F351-V353 PolarHBondContact O-N 2.82Å
352D57.8Low65.6Low148 Ų148117.9 Ų117.979%0.79162%0.619SS**  trans-70.770.6174.3-144.818.3000107.3N350N350-D352 PolarHBondContact O-N 3.27Å; N350-D352 VanDerWaalsContact O-N 3.15Å
353V62Low67.5Low99 Ų99110 Ų11060%0.658%0.577SS**  trans-89110.9169.7-174.40000104.1F351 D355F351-V353 HydrophobicContact CB-CG2 3.8Å; F351-V353 PolarHBondContact O-N 2.82Å; V353-D355 PolarHBondContact O-N 2.75Å
354D60.6Low69.4Low134 Ų134104.2 Ų104.272%0.71756%0.556SS**  trans-58.5105.8167.1-71-43.3000107.1L356D354-L356 PolarHBondContact O-N 2.78Å
355D62.1Low71.1Confident141 Ų14197.5 Ų97.575%0.75452%0.52SS*.  trans-65.392.1169.7-75.9-32.6000107V353 D357V353-D355 PolarHBondContact O-N 2.75Å; D355-D357 PolarHBondContact O-N 2.8Å
356L63.8Low72.8Confident132 Ų13288.6 Ų88.669%0.69147%0.473SS*.  trans-67.1116.4171.9-66.2173.1000107.1D354 E358D354-L356 PolarHBondContact O-N 2.78Å; L356-E358 HydrophobicContact CB-CG 4.25Å; L356-E358 PolarHBondContact O-N 3.4Å
357D66.7Low74.3Confident133 Ų13386.2 Ų86.271%0.71145%0.446SS*.  trans-69.557176.9-74.6-39.5000111.6P314 D355P314-D357 HydrophobicContact CG-CB 4.35Å; D355-D357 PolarHBondContact O-N 2.8Å
358E76.9Confident75.4Confident125 Ų12584 Ų8458%0.58444%0.439SS*.PPolyproline II helixtrans-87.6124.9175.5-65.4-165.1-158.500111.1R311 L356R311-E358 IonicContact NH1-OE2 2.58Å; R311-E358 PolarHBondContact NH1-OE2 2.97Å; R311-E358 VanDerWaalsContact NH1-OE2 3.09Å; R311-E358 VanDerWaalsContact NH2-CA 3.34Å; L356-E358 HydrophobicContact CB-CG 4.25Å; L356-E358 PolarHBondContact O-N 3.4Å
359G83.1Confident76.7Confident8 Ų879.2 Ų79.28%0.08242%0.417CS..PPolyproline II helixtrans-80.7170.217800000113.4A312A312-G359 CarbonylContact O-C 3.57Å; A312-G359 VanDerWaalsContact O-CA 3.23Å; A312-G359 WeakPolarHBondContact O-CA 3.43Å
360P88.6Confident77.9Confident40 Ų4073.1 Ų73.126%0.2639%0.394SS..PPolyproline II helixtrans-66.9139.6-171.227.2-34.4000112.2R311 A312 F362R311-P360 WeakPolarHBondContact CA-O 3.49Å; A312-P360 HydrophobicContact CB-CG 4.29Å; A312-P360 PolarHBondContact N-O 3.49Å; A312-P360 VanDerWaalsContact N-O 3.11Å; P360-F362 HydrophobicContact CB-CE1 4.21Å; P360-F362 HydrophobicContact CB-CZ 4.39Å; P360-F362 HydrophobicContact CG-CE1 4.12Å; P360-F362 HydrophobicContact CG-CZ 3.84Å
361V92.3Very high79.5Confident51 Ų5170.3 Ų70.331%0.30938%0.379SS..EExtended strand (participates in β ladder)trans-95.4117.7173.4172.80000109.9Q277 I309 R311 M364Q277-V361 PolarHBondContact NE2-O 3.26Å; Q277-V361 VanDerWaalsContact NE2-O 3.08Å; I309-V361 HydrophobicContact CG2-CB 4.13Å; I309-V361 HydrophobicContact CG2-CG1 3.34Å; I309-V361 HydrophobicContact CG2-CG2 3.77Å; R311-V361 HydrophobicContact CB-CG2 4.49Å; V361-M364 HydrophobicContact CG1-CG 4.34Å
362F93.1Very high81.2Confident2 Ų267.2 Ų67.21%0.00937%0.367CS..EExtended strand (participates in β ladder)trans-95.6-27.4-174.6-59.6-61.4000114.8Q273 Q277 L280 L281 H284 V290 L310 A312 P360Q273-F362 WeakPolarHBondContact CG-O 3.42Å; Q273-F362 PolarHBondContact NE2-O 3.44Å; Q273-F362 VanDerWaalsContact NE2-O 3.09Å; Q277-F362 VanDerWaalsContact CB-O 3.31Å; Q277-F362 WeakPolarHBondContact CB-O 3.32Å; L280-F362 HydrophobicContact CB-CD1 4.28Å; L280-F362 HydrophobicContact CB-CE1 4.14Å; L281-F362 HydrophobicContact CB-CB 4.39Å; L281-F362 HydrophobicContact CB-CD1 3.72Å; L281-F362 HydrophobicContact CB-CE1 4.18Å; L281-F362 HydrophobicContact CB-CG 4.15Å; L281-F362 HydrophobicContact CD1-CB 4.27Å; L281-F362 HydrophobicContact CD1-CD1 3.99Å; L281-F362 HydrophobicContact CD1-CD2 3.78Å; L281-F362 HydrophobicContact CD1-CE1 4.2Å; L281-F362 HydrophobicContact CD1-CE2 3.96Å; L281-F362 HydrophobicContact CD1-CG 3.77Å; L281-F362 HydrophobicContact CD1-CZ 4.18Å; L281-F362 HydrophobicContact CD2-CB 4.4Å; L281-F362 HydrophobicContact CG-CD1 4.41Å; L281-F362 HydrophobicContact CG-CG 4.42Å; H284-F362 HydrophobicContact CB-CZ 4.11Å; H284-F362 AromaticContact CG-CZ 3.91Å; H284-F362 AromaticContact ND1-CZ 3.75Å; V290-F362 HydrophobicContact CG1-CD2 3.78Å; V290-F362 HydrophobicContact CG1-CE2 3.96Å; V290-F362 HydrophobicContact CG2-CE2 4.14Å; L310-F362 HydrophobicContact CD2-CB 4.14Å; L310-F362 HydrophobicContact CG-CB 4.37Å; L310-F362 HydrophobicContact CG-CD2 4.48Å; L310-F362 PolarHBondContact O-N 3.25Å; A312-F362 HydrophobicContact CB-CE2 3.5Å; A312-F362 VanDerWaalsContact CB-CE2 3.5Å; A312-F362 HydrophobicContact CB-CZ 3.92Å; P360-F362 HydrophobicContact CB-CE1 4.21Å; P360-F362 HydrophobicContact CB-CZ 4.39Å; P360-F362 HydrophobicContact CG-CE1 4.12Å; P360-F362 HydrophobicContact CG-CZ 3.84Å
363A94.5Very high82.8Confident1 Ų163.4 Ų63.41%0.00836%0.357CS..EExtended strand (participates in β ladder)trans-164.7159.5178.500000110.2Q273 L310 W378 L382Q273-A363 HydrophobicContact CG-CB 4.5Å; L310-A363 HydrophobicContact CB-CB 4.25Å; L310-A363 HydrophobicContact CD2-CB 4.47Å; L310-A363 PolarHBondContact N-O 3.2Å; A363-W378 HydrophobicContact CB-CH2 4.38Å; A363-W378 HydrophobicContact CB-CZ2 3.75Å; A363-L382 HydrophobicContact CB-CD1 4.29Å; A363-L382 HydrophobicContact CB-CD2 3.82Å
364M95.6Very high84.1Confident19 Ų1959.1 Ų59.19%0.09433%0.331CS..EExtended strand (participates in β ladder)trans-126.7153.2171.9-61.5177-73.300110.3L236 I239 A240 G271 I272 Y308 I309 V361L236-M364 HydrophobicContact CD2-CB 4.04Å; I239-M364 HydrophobicContact CD1-CE 4.34Å; I239-M364 HydrophobicContact CD1-SD 3.67Å; I239-M364 HydrophobicContact CG1-CE 4.01Å; I239-M364 HydrophobicContact CG1-SD 3.94Å; A240-M364 HydrophobicContact CB-CE 4.16Å; G271-M364 CarbonylContact C-O 3.59Å; G271-M364 VanDerWaalsContact CA-O 3.3Å; G271-M364 WeakPolarHBondContact CA-O 3.19Å; I272-M364 HydrophobicContact CG2-CB 3.82Å; I272-M364 HydrophobicContact CG2-CE 3.89Å; I272-M364 PolarHBondContact N-O 3.46Å; I272-M364 PolarHBondContact O-N 2.91Å; I272-M364 VanDerWaalsContact O-N 3.17Å; Y308-M364 CarbonylContact O-C 3.59Å; Y308-M364 VanDerWaalsContact O-CA 3.3Å; Y308-M364 WeakPolarHBondContact O-CA 3.46Å; I309-M364 HydrophobicContact CG1-CG 4.4Å; V361-M364 HydrophobicContact CG1-CG 4.34Å
365C94.9Very high85.6Confident0 Ų052.8 Ų52.80%030%0.297CS..EExtended strand (participates in β ladder)trans-142.5149.6-179.9-178.90000112V270 Y307 Y308 W378V270-C365 CarbonylContact O-C 3.58Å; V270-C365 VanDerWaalsContact O-CA 3.26Å; V270-C365 WeakPolarHBondContact O-CA 3.47Å; V270-C365 PolarHBondContact O-SG 2.98Å; Y307-C365 CarbonylContact C-O 3.23Å; Y307-C365 VanDerWaalsContact CA-O 3.27Å; Y307-C365 WeakPolarHBondContact CA-O 3.45Å; Y307-C365 WeakPolarHBondContact CB-O 2.86Å; Y308-C365 PolarHBondContact N-O 2.71Å; Y308-C365 PolarHBondContact O-N 3.44Å; C365-W378 HydrophobicContact CB-CD2 3.48Å; C365-W378 VanDerWaalsContact CB-CD2 3.48Å; C365-W378 HydrophobicContact CB-CE3 3.81Å; C365-W378 HydrophobicContact CB-CG 4.01Å; C365-W378 HydrophobicContact CB-CH2 3.79Å; C365-W378 HydrophobicContact CB-CZ2 3.51Å; C365-W378 HydrophobicContact CB-CZ3 3.95Å
366M94.7Very high87.1Confident5 Ų548.8 Ų48.83%0.02528%0.276CS..EExtended strand (participates in β ladder)trans-126.2136.3168-72.4-179.9-177.100109.4A232 S235 L236 I239 V270 L298 Y306 Y307A232-M366 HydrophobicContact CB-CB 3.93Å; A232-M366 HydrophobicContact CB-SD 4.29Å; S235-M366 WeakPolarHBondContact CB-SD 3.44Å; L236-M366 HydrophobicContact CD1-CB 4.44Å; L236-M366 HydrophobicContact CD1-CG 4.43Å; L236-M366 HydrophobicContact CD2-CE 3.85Å; L236-M366 HydrophobicContact CD2-CG 3.79Å; L236-M366 HydrophobicContact CD2-SD 4.05Å; L236-M366 HydrophobicContact CG-CB 4.47Å; L236-M366 HydrophobicContact CG-CE 4.14Å; L236-M366 HydrophobicContact CG-CG 3.96Å; L236-M366 HydrophobicContact CG-SD 3.84Å; I239-M366 HydrophobicContact CD1-CE 3.99Å; V270-M366 PolarHBondContact N-O 3.3Å; V270-M366 PolarHBondContact O-N 3.48Å; L298-M366 HydrophobicContact CD2-CE 3.6Å; Y306-M366 WeakPolarHBondContact O-CG 3.3Å; Y307-M366 HydrophobicContact CD1-CE 4.41Å; Y307-M366 HydrophobicContact CG-CE 4.19Å
367T91.6Very high88.4Confident12 Ų1246.4 Ų46.47%0.07426%0.261CS..EExtended strand (participates in β ladder)trans-139.5154.7178.567.80000109.6H268 I269 Q369 T374 L375H268-T367 VanDerWaalsContact O-CA 3.24Å; H268-T367 WeakPolarHBondContact O-CA 3.49Å; H268-T367 WeakPolarHBondContact O-CB 3.47Å; I269-T367 HydrophobicContact CB-CG2 4.37Å; I269-T367 HydrophobicContact CG1-CG2 4.08Å; I269-T367 HydrophobicContact CG2-CG2 4.2Å; T367-Q369 VanDerWaalsContact C-N 3.32Å; T367-Q369 PolarHBondContact OG1-O 3.08Å; T367-T374 HydrophobicContact CG2-CG2 4.07Å; T367-L375 HydrophobicContact CG2-CD2 4.43Å
368S83.8Confident89.7Confident62 Ų6240.1 Ų40.143%0.43423%0.227SC..SBendtrans-72.5-28.8171.246.60000112.5P267 H268P267-S368 WeakPolarHBondContact CA-OG 3.4Å; P267-S368 WeakPolarHBondContact CB-OG 3.48Å; H268-S368 VanDerWaalsContact CE1-CB 3.44Å; H268-S368 WeakPolarHBondContact CE1-CB 3.38Å; H268-S368 PolarHBondContact CE1-N 3.09Å; H268-S368 PolarHBondContact N-OG 3.25Å; H268-S368 WeakPolarHBondContact ND1-CB 3.4Å; H268-S368 PolarHBondContact ND1-OG 3.46Å
369Q84.3Confident90.6Very high92 Ų9234.6 Ų34.643%0.4320%0.202SC..SBendtrans-128.2123.3179.2-168.5168.30.300109.6P267 T367 D371P267-Q369 HydrophobicContact CB-CB 3.99Å; P267-Q369 HydrophobicContact CG-CB 4.32Å; T367-Q369 VanDerWaalsContact C-N 3.32Å; T367-Q369 PolarHBondContact OG1-O 3.08Å; Q369-D371 HydrophobicContact CG-CB 4.41Å; Q369-D371 PolarHBondContact NE2-OD2 2.94Å; Q369-D371 PolarHBondContact O-N 3.48Å
370G81.6Confident91Very high23 Ų2337.5 Ų37.524%0.23722%0.221CC..  trans-8324.2-174.600000115.9Y308Y308-G370 WeakPolarHBondContact OH-CA 3.45Å
371D88.1Confident91.2Very high70 Ų7035.9 Ų35.937%0.37421%0.211SC..  trans-74.7148.9-171.4-70.2-9.4000111.1Q369 A373 T374 L375Q369-D371 HydrophobicContact CG-CB 4.41Å; Q369-D371 PolarHBondContact NE2-OD2 2.94Å; Q369-D371 PolarHBondContact O-N 3.48Å; D371-A373 PolarHBondContact O-N 2.82Å; D371-A373 VanDerWaalsContact O-N 3.12Å; D371-T374 PolarHBondContact O-N 2.62Å; D371-L375 PolarHBondContact O-N 3.27Å
372Q90.3Very high91.2Very high114 Ų11433.6 Ų33.653%0.53320%0.197SC..Hα-helixtrans-54.9-33.9176.6-174.1178.6-5.400112N376 F396 L398Q372-N376 WeakPolarHBondContact O-CB 3.38Å; Q372-N376 VanDerWaalsContact O-CG 3.32Å; Q372-N376 PolarHBondContact O-N 3.25Å; Q372-N376 PolarHBondContact O-ND2 3.06Å; Q372-F396 HydrophobicContact CG-CB 4.41Å; Q372-F396 HydrophobicContact CG-CD1 4.18Å; Q372-F396 HydrophobicContact CG-CD2 3.74Å; Q372-F396 HydrophobicContact CG-CE1 4.46Å; Q372-F396 HydrophobicContact CG-CE2 4.04Å; Q372-F396 HydrophobicContact CG-CG 3.83Å; Q372-F396 HydrophobicContact CG-CZ 4.39Å; Q372-L398 HydrophobicContact CB-CD1 4.25Å
373A89.8Confident91.2Very high68 Ų6837.5 Ų37.556%0.56222%0.215SC*.Hα-helixtrans-65-45.4176.300000112.4D371 N376 Q377D371-A373 PolarHBondContact O-N 2.82Å; D371-A373 VanDerWaalsContact O-N 3.12Å; A373-N376 WeakPolarHBondContact O-CB 3.23Å; A373-N376 PolarHBondContact O-N 3.05Å; A373-Q377 PolarHBondContact O-N 2.8Å; A373-Q377 VanDerWaalsContact O-N 3.13Å
374T91.1Very high91Very high10 Ų1045.1 Ų45.16%0.06125%0.251CS..Hα-helixtrans-65.7-43.1178.2-51.20000111.3P267 I269 T367 D371 N376 Q377 W378P267-T374 HydrophobicContact CB-CG2 4.26Å; P267-T374 HydrophobicContact CG-CG2 3.49Å; P267-T374 VanDerWaalsContact CG-CG2 3.49Å; I269-T374 HydrophobicContact CD1-CG2 3.65Å; I269-T374 HydrophobicContact CG1-CG2 3.72Å; T367-T374 HydrophobicContact CG2-CG2 4.07Å; D371-T374 PolarHBondContact O-N 2.62Å; T374-N376 VanDerWaalsContact C-N 3.32Å; T374-N376 PolarHBondContact O-N 3.32Å; T374-Q377 WeakPolarHBondContact O-CB 3.46Å; T374-Q377 PolarHBondContact O-N 3.27Å; T374-Q377 VanDerWaalsContact O-N 3.12Å; T374-W378 PolarHBondContact O-N 3.06Å
375L92.1Very high90.7Very high0 Ų048 Ų480%027%0.267CS..Hα-helixtrans-68.4-32.2177.5-63.6171.9000111.8V292 Y308 T367 D371 Q377 W378 I379 F396 L398V292-L375 HydrophobicContact CG1-CB 4.48Å; V292-L375 HydrophobicContact CG1-CD1 3.97Å; Y308-L375 HydrophobicContact CD1-CD1 3.86Å; Y308-L375 HydrophobicContact CD1-CD2 4.19Å; Y308-L375 HydrophobicContact CD2-CD2 3.78Å; Y308-L375 HydrophobicContact CE1-CD1 4.06Å; Y308-L375 HydrophobicContact CE2-CD2 4.31Å; Y308-L375 HydrophobicContact CG-CD1 4.27Å; Y308-L375 HydrophobicContact CG-CD2 3.73Å; T367-L375 HydrophobicContact CG2-CD2 4.43Å; D371-L375 PolarHBondContact O-N 3.27Å; L375-Q377 VanDerWaalsContact C-N 3.32Å; L375-Q377 PolarHBondContact O-N 3.01Å; L375-W378 HydrophobicContact CD2-CE3 4.24Å; L375-W378 WeakPolarHBondContact O-CB 3.03Å; L375-W378 PolarHBondContact O-N 2.84Å; L375-I379 WeakPolarHBondContact O-CG1 3.41Å; L375-I379 PolarHBondContact O-N 3.33Å; L375-F396 HydrophobicContact CB-CD1 4.25Å; L375-F396 HydrophobicContact CB-CE1 3.63Å; L375-F396 HydrophobicContact CD1-CD1 4.44Å; L375-L398 HydrophobicContact CD1-CD1 4.04Å; L375-L398 HydrophobicContact CD1-CD2 3.44Å; L375-L398 VanDerWaalsContact CD1-CD2 3.44Å; L375-L398 HydrophobicContact CD1-CG 4.38Å
376N92.6Very high90.6Very high58 Ų5848.3 Ų48.331%0.3127%0.269SS..Hα-helixtrans-62.6-37.4169.7-85.2-52.5000112.6Q372 A373 T374 W378 I379 S380 F396Q372-N376 WeakPolarHBondContact O-CB 3.38Å; Q372-N376 VanDerWaalsContact O-CG 3.32Å; Q372-N376 PolarHBondContact O-N 3.25Å; Q372-N376 PolarHBondContact O-ND2 3.06Å; A373-N376 WeakPolarHBondContact O-CB 3.23Å; A373-N376 PolarHBondContact O-N 3.05Å; T374-N376 VanDerWaalsContact C-N 3.32Å; T374-N376 PolarHBondContact O-N 3.32Å; N376-W378 VanDerWaalsContact C-N 3.33Å; N376-I379 PolarHBondContact O-N 3.02Å; N376-S380 WeakPolarHBondContact O-CB 3.25Å; N376-S380 PolarHBondContact O-N 3.39Å; N376-S380 PolarHBondContact O-OG 3.19Å; N376-F396 HydrophobicContact CB-CZ 4.45Å; N376-F396 VanDerWaalsContact OD1-CE2 3.25Å; N376-F396 WeakPolarHBondContact OD1-CE2 3.18Å; N376-F396 WeakPolarHBondContact OD1-CZ 3.09Å
377Q91.8Very high90.4Very high82 Ų8253 Ų5338%0.38330%0.299SS..Hα-helixtrans-64.5-40.3173.5-68.7174-16.900111.2I269 A373 T374 L375 S380 G381I269-Q377 HydrophobicContact CD1-CB 3.9Å; A373-Q377 PolarHBondContact O-N 2.8Å; A373-Q377 VanDerWaalsContact O-N 3.13Å; T374-Q377 WeakPolarHBondContact O-CB 3.46Å; T374-Q377 PolarHBondContact O-N 3.27Å; T374-Q377 VanDerWaalsContact O-N 3.12Å; L375-Q377 VanDerWaalsContact C-N 3.32Å; L375-Q377 PolarHBondContact O-N 3.01Å; Q377-S380 PolarHBondContact O-N 3.08Å; Q377-G381 PolarHBondContact O-N 3.29Å
378W94.2Very high90.4Very high0 Ų053.7 Ų53.70%030%0.302CS..Hα-helixtrans-58.9-49.217217050.2000112.1Y250 I269 V292 L310 A363 C365 T374 L375 N376 S380 G381 L382Y250-W378 AromaticContact CD2-CD1 3.76Å; Y250-W378 AromaticContact CE2-CD1 3.56Å; Y250-W378 AromaticContact CE2-NE1 3.86Å; I269-W378 HydrophobicContact CG2-CB 3.75Å; I269-W378 HydrophobicContact CG2-CG 4.25Å; V292-W378 HydrophobicContact CG1-CZ3 4.09Å; V292-W378 HydrophobicContact CG2-CZ3 4.32Å; L310-W378 HydrophobicContact CB-CH2 3.71Å; L310-W378 HydrophobicContact CB-CZ2 4.45Å; L310-W378 HydrophobicContact CB-CZ3 4.35Å; A363-W378 HydrophobicContact CB-CH2 4.38Å; A363-W378 HydrophobicContact CB-CZ2 3.75Å; C365-W378 HydrophobicContact CB-CD2 3.48Å; C365-W378 VanDerWaalsContact CB-CD2 3.48Å; C365-W378 HydrophobicContact CB-CE3 3.81Å; C365-W378 HydrophobicContact CB-CG 4.01Å; C365-W378 HydrophobicContact CB-CH2 3.79Å; C365-W378 HydrophobicContact CB-CZ2 3.51Å; C365-W378 HydrophobicContact CB-CZ3 3.95Å; T374-W378 PolarHBondContact O-N 3.06Å; L375-W378 HydrophobicContact CD2-CE3 4.24Å; L375-W378 WeakPolarHBondContact O-CB 3.03Å; L375-W378 PolarHBondContact O-N 2.84Å; N376-W378 VanDerWaalsContact C-N 3.33Å; W378-S380 VanDerWaalsContact C-N 3.3Å; W378-S380 PolarHBondContact O-N 3.21Å; W378-G381 PolarHBondContact O-N 3.32Å; W378-G381 VanDerWaalsContact O-N 3.13Å; W378-L382 HydrophobicContact CZ2-CD2 4.43Å; W378-L382 WeakPolarHBondContact O-CB 3.39Å; W378-L382 PolarHBondContact O-N 3.45Å
379I94.6Very high90.7Very high10 Ų1051.1 Ų51.15%0.05128%0.283CS..Hα-helixtrans-59.7-41176.5-63.2-53.9000111.5V292 L310 L375 N376 G381 L382 Q383 T394V292-I379 HydrophobicContact CG2-CD1 3.89Å; V292-I379 HydrophobicContact CG2-CG1 4.19Å; L310-I379 HydrophobicContact CD1-CD1 3.86Å; L310-I379 HydrophobicContact CD2-CD1 4.33Å; L375-I379 WeakPolarHBondContact O-CG1 3.41Å; L375-I379 PolarHBondContact O-N 3.33Å; N376-I379 PolarHBondContact O-N 3.02Å; I379-G381 VanDerWaalsContact C-N 3.31Å; I379-G381 PolarHBondContact O-N 2.87Å; I379-L382 PolarHBondContact O-N 3.24Å; I379-Q383 PolarHBondContact O-N 3.41Å; I379-T394 HydrophobicContact CG2-CG2 4.12Å
380S92.8Very high91Very high69 Ų6949 Ų4948%0.48329%0.287SS..Hα-helixtrans-62.8-38.6176.4-57.10000111.9N376 Q377 W378 Q383N376-S380 WeakPolarHBondContact O-CB 3.25Å; N376-S380 PolarHBondContact O-N 3.39Å; N376-S380 PolarHBondContact O-OG 3.19Å; Q377-S380 PolarHBondContact O-N 3.08Å; W378-S380 VanDerWaalsContact C-N 3.3Å; W378-S380 PolarHBondContact O-N 3.21Å; S380-Q383 WeakPolarHBondContact O-CB 3.46Å
381G91.2Very high91.3Very high6 Ų657.7 Ų57.76%0.06231%0.312CS..Hα-helixtrans-66.6-42.3172.100000112.5Y250 Q377 W378 I379 Q383 Q384Y250-G381 WeakPolarHBondContact CE1-O 3.32Å; Q377-G381 PolarHBondContact O-N 3.29Å; W378-G381 PolarHBondContact O-N 3.32Å; W378-G381 VanDerWaalsContact O-N 3.13Å; I379-G381 VanDerWaalsContact C-N 3.31Å; I379-G381 PolarHBondContact O-N 2.87Å; G381-Q383 VanDerWaalsContact C-N 3.26Å; G381-Q383 PolarHBondContact O-N 3.03Å; G381-Q384 WeakPolarHBondContact O-CB 3.25Å; G381-Q384 PolarHBondContact O-N 3.17Å
382L92.8Very high91.5Very high2 Ų254.8 Ų54.81%0.0130%0.297CS..Hα-helixtrans-64.8-30.9178.3-165.266000112.3L310 A363 W378 I379 Q384 N385 N386 L389L310-L382 HydrophobicContact CD2-CD2 3.54Å; A363-L382 HydrophobicContact CB-CD1 4.29Å; A363-L382 HydrophobicContact CB-CD2 3.82Å; W378-L382 HydrophobicContact CZ2-CD2 4.43Å; W378-L382 WeakPolarHBondContact O-CB 3.39Å; W378-L382 PolarHBondContact O-N 3.45Å; I379-L382 PolarHBondContact O-N 3.24Å; L382-Q384 PolarHBondContact O-N 3.47Å; L382-N385 PolarHBondContact O-N 3.34Å; L382-N386 PolarHBondContact O-N 3.43Å; L382-N386 PolarHBondContact O-ND2 3.35Å; L382-L389 HydrophobicContact CB-CD1 4Å; L382-L389 HydrophobicContact CD2-CD1 3.72Å; L382-L389 HydrophobicContact CG-CD1 3.78Å
383Q92.9Very high91.6Very high84 Ų8452.4 Ų52.439%0.39329%0.291SS..Hα-helixtrans-62.5-26.2176.6-171.7-179.1-400113.2I379 S380 G381 N385 N386 L389 G390I379-Q383 PolarHBondContact O-N 3.41Å; S380-Q383 WeakPolarHBondContact O-CB 3.46Å; G381-Q383 VanDerWaalsContact C-N 3.26Å; G381-Q383 PolarHBondContact O-N 3.03Å; Q383-N385 PolarHBondContact O-N 3.33Å; Q383-N386 WeakPolarHBondContact CA-O 3.21Å; Q383-N386 CarbonylContact O-C 3.56Å; Q383-N386 VanDerWaalsContact O-C 3.25Å; Q383-N386 PolarHBondContact O-N 2.94Å; Q383-L389 HydrophobicContact CB-CB 4.44Å; Q383-L389 HydrophobicContact CG-CB 4.43Å; Q383-G390 VanDerWaalsContact NE2-CA 3.33Å
384Q90.8Very high91.7Very high161 Ų16151 Ų5175%0.75228%0.276SS*.THydrogen-bonded Turntrans-61.2-35.7177.1-61.7-178.16.300111.9G381 L382G381-Q384 WeakPolarHBondContact O-CB 3.25Å; G381-Q384 PolarHBondContact O-N 3.17Å; L382-Q384 PolarHBondContact O-N 3.47Å
385N89.4Confident91.7Very high81 Ų8154.6 Ų54.643%0.43329%0.294SS..THydrogen-bonded Turntrans-91.4-28.7176.5-64.3-21.7000111.9M278 L382 Q383M278-N385 HydrophobicContact CE-CB 3.88Å; L382-N385 PolarHBondContact O-N 3.34Å; Q383-N385 PolarHBondContact O-N 3.33Å
386N91.9Very high91.7Very high6 Ų656.6 Ų56.63%0.03230%0.303CS..  trans-124.186.3-175-57.4-61.5000111.1Q273 L281 L382 Q383 I388 L389Q273-N386 PolarHBondContact NE2-ND2 3Å; Q273-N386 VanDerWaalsContact NE2-ND2 3.15Å; Q273-N386 PolarHBondContact OE1-ND2 2.86Å; L281-N386 HydrophobicContact CD2-CB 3.71Å; L382-N386 PolarHBondContact O-N 3.43Å; L382-N386 PolarHBondContact O-ND2 3.35Å; Q383-N386 WeakPolarHBondContact CA-O 3.21Å; Q383-N386 CarbonylContact O-C 3.56Å; Q383-N386 VanDerWaalsContact O-C 3.25Å; Q383-N386 PolarHBondContact O-N 2.94Å; N386-I388 PolarHBondContact O-N 2.96Å; N386-I388 VanDerWaalsContact O-N 3.09Å; N386-L389 HydrophobicContact CB-CD1 4.07Å; N386-L389 HydrophobicContact CB-CG 4.28Å; N386-L389 PolarHBondContact O-N 3.26Å
387P91.4Very high91.6Very high102 Ų10258.8 Ų58.866%0.66231%0.307SS*.G310 helixtrans-65-19.7-174.125.6-34.9000113.6L389 G390P387-L389 PolarHBondContact O-N 2.98Å; P387-G390 PolarHBondContact O-N 3.47Å
388I91.2Very high91.5Very high28 Ų2857.7 Ų57.714%0.14430%0.303CS..G310 helixtrans-64.2-27179.8-159.9169.5000112.9L281 A282 H284 P286 N386 G390 R391 I392L281-I388 HydrophobicContact CD1-CG2 4.43Å; L281-I388 HydrophobicContact CG-CG2 3.92Å; L281-I388 WeakPolarHBondContact O-CG2 3.42Å; A282-I388 WeakPolarHBondContact O-CD1 3.48Å; H284-I388 WeakPolarHBondContact O-CD1 3.23Å; P286-I388 HydrophobicContact CG-CD1 4.4Å; P286-I388 HydrophobicContact CG-CG1 4.5Å; N386-I388 PolarHBondContact O-N 2.96Å; N386-I388 VanDerWaalsContact O-N 3.09Å; I388-G390 PolarHBondContact O-N 3.05Å; I388-G390 VanDerWaalsContact O-N 3.16Å; I388-R391 PolarHBondContact O-N 3.22Å; I388-I392 HydrophobicContact CB-CD1 4.33Å; I388-I392 HydrophobicContact CD1-CD1 4.38Å; I388-I392 HydrophobicContact CG1-CD1 3.84Å; I388-I392 HydrophobicContact CG1-CG1 4.29Å; I388-I392 HydrophobicContact CG2-CD1 3.94Å; I388-I392 WeakPolarHBondContact O-CG1 3.42Å; I388-I392 PolarHBondContact O-N 2.84Å
389L90.8Very high90.6Very high7 Ų763.3 Ų63.34%0.03733%0.333CS..G310 helixtrans-61.5-23.5176.3-70.1174.8000113L281 L310 L382 Q383 N386 P387 R391 I392L281-L389 HydrophobicContact CD1-CD2 3.99Å; L281-L389 HydrophobicContact CD2-CD1 4.04Å; L281-L389 HydrophobicContact CD2-CD2 3.98Å; L281-L389 HydrophobicContact CD2-CG 3.94Å; L281-L389 HydrophobicContact CG-CD2 4.44Å; L310-L389 HydrophobicContact CD2-CD2 4.27Å; L382-L389 HydrophobicContact CB-CD1 4Å; L382-L389 HydrophobicContact CD2-CD1 3.72Å; L382-L389 HydrophobicContact CG-CD1 3.78Å; Q383-L389 HydrophobicContact CB-CB 4.44Å; Q383-L389 HydrophobicContact CG-CB 4.43Å; N386-L389 HydrophobicContact CB-CD1 4.07Å; N386-L389 HydrophobicContact CB-CG 4.28Å; N386-L389 PolarHBondContact O-N 3.26Å; P387-L389 PolarHBondContact O-N 2.98Å; L389-R391 PolarHBondContact O-N 3.16Å; L389-I392 HydrophobicContact CD2-CD1 4.45Å
390G88.8Confident89Confident49 Ų4968.1 Ų68.151%0.50537%0.374SS..G310 helixtrans-71.9-13.5174.100000114.3Q383 P387 I388Q383-G390 VanDerWaalsContact NE2-CA 3.33Å; P387-G390 PolarHBondContact O-N 3.47Å; I388-G390 PolarHBondContact O-N 3.05Å; I388-G390 VanDerWaalsContact O-N 3.16Å
391R89.7Confident86.8Confident205 Ų20566.4 Ų66.477%0.77437%0.368SS*.THydrogen-bonded Turntrans-106-24.6178.3-61.1-178.1-177.4175.21.3112.6P286 I388 L389P286-R391 HydrophobicContact CB-CB 4.44Å; I388-R391 PolarHBondContact O-N 3.22Å; L389-R391 PolarHBondContact O-N 3.16Å
392I92.1Very high84.6Confident8 Ų870.3 Ų70.34%0.04139%0.391CS..SBendtrans-85.4131.9-177.5-60.9157.2000109.7L281 P286 R288 V290 I388 L389 T394L281-I392 HydrophobicContact CD1-CD1 4.37Å; P286-I392 HydrophobicContact CB-CG1 4.47Å; R288-I392 WeakPolarHBondContact O-CG2 3.43Å; V290-I392 HydrophobicContact CB-CG2 4.43Å; V290-I392 HydrophobicContact CG2-CD1 4.38Å; V290-I392 HydrophobicContact CG2-CG2 3.59Å; I388-I392 HydrophobicContact CB-CD1 4.33Å; I388-I392 HydrophobicContact CD1-CD1 4.38Å; I388-I392 HydrophobicContact CG1-CD1 3.84Å; I388-I392 HydrophobicContact CG1-CG1 4.29Å; I388-I392 HydrophobicContact CG2-CD1 3.94Å; I388-I392 WeakPolarHBondContact O-CG1 3.42Å; I388-I392 PolarHBondContact O-N 2.84Å; L389-I392 HydrophobicContact CD2-CD1 4.45Å; I392-T394 PolarHBondContact O-N 3.11Å
393P91Very high82.3Confident65 Ų6580.5 Ų80.542%0.42243%0.429SS..PPolyproline II helixtrans-65.6123170.222.5-29.1000111P289 V290P289-P393 CarbonylContact C-O 3.52Å; P289-P393 WeakPolarHBondContact CA-O 3.43Å; P289-P393 HydrophobicContact CB-CB 4.39Å; P289-P393 HydrophobicContact CB-CG 3.99Å; P289-P393 VanDerWaalsContact CB-O 3.29Å; P289-P393 WeakPolarHBondContact CB-O 2.95Å; V290-P393 PolarHBondContact N-O 3.37Å
394T92.1Very high79.9Confident39 Ų3984.4 Ų84.424%0.23945%0.447CS..EExtended strand (participates in β ladder)trans-96.1128.4173.751.30000110.5V290 I379 I392V290-T394 WeakPolarHBondContact O-CA 3.43Å; I379-T394 HydrophobicContact CG2-CG2 4.12Å; I392-T394 PolarHBondContact O-N 3.11Å
395L92.6Very high77.6Confident84 Ų8482.4 Ų82.444%0.4444%0.441SS..EExtended strand (participates in β ladder)trans-117.9138.7-179.4-64.8177.5000109.9P289 V290 F291 V292P289-L395 HydrophobicContact CB-CD1 3.75Å; P289-L395 HydrophobicContact CB-CG 4.1Å; P289-L395 HydrophobicContact CG-CD1 4.04Å; V290-L395 PolarHBondContact O-N 2.95Å; F291-L395 CarbonylContact C-O 3.55Å; F291-L395 VanDerWaalsContact CA-O 3.26Å; F291-L395 WeakPolarHBondContact CA-O 3.48Å; F291-L395 HydrophobicContact CD1-CB 3.7Å; F291-L395 HydrophobicContact CD1-CD1 4.26Å; F291-L395 HydrophobicContact CE1-CB 3.9Å; F291-L395 HydrophobicContact CE1-CD1 3.55Å; F291-L395 HydrophobicContact CE1-CG 4.31Å; F291-L395 HydrophobicContact CZ-CD1 4.31Å; V292-L395 PolarHBondContact N-O 3.08Å
396F92Very high75Confident43 Ų4384.8 Ų84.819%0.18945%0.45CS..EExtended strand (participates in β ladder)trans-101.1114.4-178.8-67.2-86.5000109.5V292 Q372 L375 N376 L398V292-F396 HydrophobicContact CB-CD1 3.72Å; V292-F396 HydrophobicContact CB-CE1 3.93Å; V292-F396 HydrophobicContact CG1-CD1 4.07Å; V292-F396 HydrophobicContact CG1-CE1 4.2Å; V292-F396 HydrophobicContact CG2-CD1 4.12Å; V292-F396 HydrophobicContact CG2-CE1 3.83Å; Q372-F396 HydrophobicContact CG-CB 4.41Å; Q372-F396 HydrophobicContact CG-CD1 4.18Å; Q372-F396 HydrophobicContact CG-CD2 3.74Å; Q372-F396 HydrophobicContact CG-CE1 4.46Å; Q372-F396 HydrophobicContact CG-CE2 4.04Å; Q372-F396 HydrophobicContact CG-CG 3.83Å; Q372-F396 HydrophobicContact CG-CZ 4.39Å; L375-F396 HydrophobicContact CB-CD1 4.25Å; L375-F396 HydrophobicContact CB-CE1 3.63Å; L375-F396 HydrophobicContact CD1-CD1 4.44Å; N376-F396 HydrophobicContact CB-CZ 4.45Å; N376-F396 VanDerWaalsContact OD1-CE2 3.25Å; N376-F396 WeakPolarHBondContact OD1-CE2 3.18Å; N376-F396 WeakPolarHBondContact OD1-CZ 3.09Å; F396-L398 HydrophobicContact CB-CD1 4.44Å; F396-L398 HydrophobicContact CB-CG 4.18Å
397R90.4Very high72.2Confident104 Ų10487.6 Ų87.639%0.39248%0.48SS..EExtended strand (participates in β ladder)trans-105.970.7171.3-69.8179.9-179.2163.40.8107.5F291 V292 E293 D313 D399F291-R397 HydrophobicContact CD1-CG 4.05Å; F291-R397 VanDerWaalsContact CE1-CZ 3.45Å; V292-R397 CarbonylContact O-C 3.47Å; V292-R397 PolarHBondContact O-N 3.2Å; E293-R397 HydrophobicContact CG-CB 4.04Å; E293-R397 WeakPolarHBondContact OE1-CD 3.32Å; E293-R397 IonicContact OE1-CZ 2.79Å; E293-R397 IonicContact OE1-NH1 2.94Å; E293-R397 PolarHBondContact OE1-NH1 2.91Å; D313-R397 IonicContact OD1-NH2 3.73Å; R397-D399 PolarHBondContact O-N 2.81Å
398L88.2Confident69.3Low59 Ų5990.7 Ų90.731%0.30950%0.496SS..EExtended strand (participates in β ladder)trans-87.2107.9177.6-55177.5000107.6G294 Y308 Q372 L375 F396G294-L398 WeakPolarHBondContact O-CA 3.2Å; Y308-L398 HydrophobicContact CD1-CD2 4.22Å; Y308-L398 HydrophobicContact CE1-CD2 4.24Å; Q372-L398 HydrophobicContact CB-CD1 4.25Å; L375-L398 HydrophobicContact CD1-CD1 4.04Å; L375-L398 HydrophobicContact CD1-CD2 3.44Å; L375-L398 VanDerWaalsContact CD1-CD2 3.44Å; L375-L398 HydrophobicContact CD1-CG 4.38Å; F396-L398 HydrophobicContact CB-CD1 4.44Å; F396-L398 HydrophobicContact CB-CG 4.18Å
399D76.9Confident66.6Low117 Ų11792.8 Ų92.863%0.62652%0.518SS*.  trans-66.8136.4169.3-74.2-28.4000107.8G294 P295 R397 G401G294-D399 PolarHBondContact O-N 3.29Å; P295-D399 VanDerWaalsContact CD-O 3.26Å; P295-D399 WeakPolarHBondContact CD-O 3.13Å; R397-D399 PolarHBondContact O-N 2.81Å; D399-G401 PolarHBondContact O-N 3.15Å
400A59.1Low64Low111 Ų111100 Ų10092%0.91756%0.557SS**  trans-70.325.9172.600000112.7T402A400-T402 PolarHBondContact O-N 3.13Å
401G48.4Very low61.1Low33 Ų33104 Ų10434%0.3457%0.572SS.*  trans-71.3114.7-163.200000114.8D399D399-G401 PolarHBondContact O-N 3.15Å
402T44.6Very low58.2Low89 Ų89104.2 Ų104.255%0.54658%0.581SS.*  trans48.973.3162.726.20000116.8A400 E404A400-T402 PolarHBondContact O-N 3.13Å; T402-E404 HydrophobicContact CG2-CB 4.3Å; T402-E404 HydrophobicContact CG2-CG 4.37Å; T402-E404 PolarHBondContact O-N 3.1Å
403R43.7Very low55.2Low216 Ų216107 Ų10782%0.81561%0.606SS**G310 helixtrans-60.21.3154.5-78.9-177.5173173.2-2.8114.3L405R403-L405 PolarHBondContact O-N 2.68Å; R403-L405 VanDerWaalsContact O-N 3.11Å
404E42.1Very low52.2Low166 Ų166107.7 Ų107.778%0.77663%0.625SS**G310 helixtrans-73.30.4-167.8-72-170.2153.500116.1T402T402-E404 HydrophobicContact CG2-CB 4.3Å; T402-E404 HydrophobicContact CG2-CG 4.37Å; T402-E404 PolarHBondContact O-N 3.1Å
405L42.9Very low49Very low119 Ų119114.2 Ų114.262%0.62365%0.652SS**G310 helixtrans-128.93.2-178.6-65.7172.9000115W299 R403 G407W299-L405 HydrophobicContact CH2-CD1 4.25Å; W299-L405 HydrophobicContact CZ2-CD1 4.1Å; R403-L405 PolarHBondContact O-N 2.68Å; R403-L405 VanDerWaalsContact O-N 3.11Å; L405-G407 PolarHBondContact O-N 2.8Å
406E35.1Very low45.9Very low131 Ų131116 Ų11661%0.61267%0.672SS**SBendtrans-76.3120.7158.6-73.3-179.7173.500107.1
407G33.2Very low42.7Very low65 Ų65123.1 Ų123.167%0.6771%0.705SS**  trans-55.2150.9-162.400000114.5L405 A409L405-G407 PolarHBondContact O-N 2.8Å; G407-A409 PolarHBondContact O-N 3.4Å
408V29.8Very low39.6Very low166 Ų166126.8 Ų126.8100%1.00673%0.727SS**SBendtrans-6170.2156.8-176.70000108.9
409A35.9Very low36.7Very low73 Ų73129.4 Ų129.460%0.60375%0.747SS**  trans-129.2119.1165.200000105.3G407G407-A409 PolarHBondContact O-N 3.4Å
410D34.8Very low34.4Very low158 Ų158129.4 Ų129.485%0.84575%0.753SS**SBendtrans83.764173.4-48.9-29.6000117.5
411T28.6Very low33Very low134 Ų134130.2 Ų130.282%0.82275%0.749SS**  trans-150.664.5138-33.50000111.7
412E29.6Very low31.9Very low208 Ų208137.7 Ų137.797%0.97278%0.776SS**  trans-93.276.9149.5-78.1-167.2171.900108.2
413A27.5Very low31.1Very low68 Ų68139.2 Ų139.256%0.56279%0.79SS**  trans-125.5111.4162.200000107.2H415A413-H415 PolarHBondContact O-N 3.34Å
414G28.7Very low30.3Very low79 Ų79137.7 Ų137.781%0.81479%0.792SS**  trans-58.6123.8-170.400000113.1
415H25.8Very low29.5Very low175 Ų175140.2 Ų140.281%0.8179%0.794SS**  trans-115.9112.2160.2-82.4-60.7000110.2A413 H417A413-H415 PolarHBondContact O-N 3.34Å; H415-H417 PolarHBondContact O-N 2.95Å
416S26.1Very low28.8Very low122 Ų122142.3 Ų142.385%0.85380%0.801SS**  trans-57.8114.9171.2-28.40000110Q418S416-Q418 PolarHBondContact O-N 3.07Å
417H25.2Very low28.3Very low193 Ų193144.1 Ų144.189%0.89482%0.815SS**  trans-79.1105.5168.5-83.8-65000110.4H415H415-H417 PolarHBondContact O-N 2.95Å
418Q24.5Very low28Very low180 Ų180144.8 Ų144.884%0.84182%0.821SS**PPolyproline II helixtrans-86.8133.1157.6-121.5176.5-12.200108.2S416S416-Q418 PolarHBondContact O-N 3.07Å
419P28.8Very low28Very low114 Ų114145.2 Ų145.274%0.7482%0.817SS**PPolyproline II helixtrans-75.3147.4176.529.7-31.3000111
420P29.1Very low28Very low117 Ų117147.2 Ų147.276%0.7682%0.824SS**PPolyproline II helixtrans-73.2151-176.728.8-33.1000112.5
421P28.9Very low27.7Very low128 Ų128144.7 Ų144.783%0.83183%0.825SS**PPolyproline II helixtrans-78.6134.9-176.230.9-32.1000112.3
422Q25Very low27.7Very low191 Ų191146.5 Ų146.589%0.89382%0.824SS**PPolyproline II helixtrans-74.6118.1168-69.8174.3-21.700109.7
423S28.3Very low27.6Very low121 Ų121143.3 Ų143.385%0.84681%0.814SS**  trans-84115.6164.955.80000109.8
424Q26.8Very low27.7Very low183 Ų183145.9 Ų145.986%0.85583%0.827SS**  trans-69.6150.3166.3-65.8174.8-22.700111.8
425R25.6Very low27.7Very low220 Ų220151.4 Ų151.483%0.8383%0.832SS**  trans157.5136.7141.3-86.8177.7-166.2-164.42.5107.2
426E27.8Very low27.9Very low163 Ų163148 Ų14876%0.76284%0.835SS**  cis-165.4150.55.4-123.8159.5-157.400106.8
427D24.6Very low27.9Very low169 Ų169146.8 Ų146.890%0.90483%0.832SS**  trans-63.6146.6176.5-71.4-56.7000113.5
428G25.8Very low28.2Very low78 Ų78143.8 Ų143.880%0.80483%0.827SS**  trans-158.8100.4165.900000110.9
429L30.1Very low28.4Very low175 Ų175143.5 Ų143.592%0.91683%0.825SS**  trans-68.8169.5-179.3-86163.1000113.9
430P36.6Very low28.4Very low116 Ų116147.1 Ų147.175%0.75383%0.832SS**  trans-98.1167.5-152.339.5-35.1000114.2
431A28.8Very low28.4Very low104 Ų104151 Ų15186%0.8684%0.841SS**  trans-131.9132.7163.800000110.3
432E28.2Very low28.4Very low173 Ų173153.3 Ų153.381%0.80884%0.84SS**  trans-78.4165-177.2-70.7179.2142.600114.1
433D27.9Very low29.2Very low140 Ų140148.9 Ų148.975%0.74983%0.828SS**  trans69.6115.9151.1-62.3-16.8000120.8
434S29.8Very low29.2Very low122 Ų122155.5 Ų155.585%0.85383%0.834SS**  169.3139.688.737.30000113.1
435E28Very low29.3Very low195 Ų195157.9 Ų157.991%0.91184%0.836SS**  trans-67.8147.6174.3-60.1173141.700112.8
436A29.3Very low29.5Very low105 Ų105152.4 Ų152.487%0.86883%0.831SS**  trans-168.2119.8137.100000111.2
437A27.5Very low29.8Very low96 Ų96155.7 Ų155.779%0.79384%0.836SS**  trans-83.5149.9173.200000112.2
438V30.9Very low29.9Very low130 Ų130151.6 Ų151.679%0.78883%0.834SS**  trans-153.3111.9145.5-179.90000110.4
439E29.3Very low30.3Very low173 Ų173155.9 Ų155.981%0.80884%0.836SS**  trans43.8116.1137.8-59.2-179.7169.400120.8
440E29Very low30.7Very low190 Ų190157.2 Ų157.289%0.88883%0.834SS**  64.6108.190.3-76.2-158.817200115.8
441E27.2Very low30.8Very low200 Ų200164.5 Ų164.594%0.93586%0.858SS**  -169.3131116.6-112-162.2167.400111.2
442E29.7Very low30.9Very low175 Ų175167.5 Ų167.582%0.81886%0.858SS**  trans-100.8-161.4174.1-146.3-164.1-156.300109
443P42Very low31Very low99 Ų99167.2 Ų167.264%0.64386%0.86SS**  -103173.5-98.129.7-9.4000114.9
444R27.6Very low31.2Very low259 Ų259168.7 Ų168.798%0.97787%0.866SS**  trans-122.6105.9158.4-78.8-170.3178.4174.82.1112.8
445R29.3Very low31.3Very low234 Ų234171.5 Ų171.588%0.88387%0.867SS**  trans-82.1150.5161.7-98.6-179.4173.3178.30.4110.9
446S30.6Very low31.5Very low104 Ų104170 Ų17073%0.72787%0.865SS**  trans106.3116.4132.779.20000120.6
447R33.8Very low31.7Very low232 Ų232174.3 Ų174.388%0.87586%0.864SS**  62.9109.8121.8-72.3-178.5168.3-179.1-4.2118.9
448G27.3Very low31.9Very low84 Ų84179.9 Ų179.987%0.86687%0.869SS**  trans-77.1129.3142.800000110.8
449M33.2Very low32Very low168 Ų168183.8 Ų183.883%0.82888%0.876SS**  trans-100153.8169.2-83.5170.268.900110.5
450K39.7Very low32.3Very low203 Ų203184.7 Ų184.788%0.88388%0.881SS**  trans159.5127.5131.6-85.9165.9-176.1-174.20106.3
451Q37.7Very low32.6Very low268 Ų268184.2 Ų184.2100%1.25288%0.881SS**  cis-136.4028.5-71.4175.9-26.500111.9

Retrieved 451 of 451 residues in 728.8 ms (Link to these results)