G4VD99_SCHMA Loading...

Methionine aminopeptidase 2

Cotranslationally removes the N-terminal methionine from nascent proteins. The N-terminal methionine is often cleaved when the second residue in the primary sequence is small and uncharged (Met-Ala-, Cys, Gly, Pro, Ser, Thr, or Val).

AlphaFold DB , UniProt , Accession G4VD99, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 463 aa.

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

 

Download Structure   PDB   PAE   Table  
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
1M35.2Very low41.9Very low247 Ų247141.2 Ų141.2100%1.21777%0.765SS**  0110.90-82.917718000106.5
2E33.4Very low42.5Very low182 Ų182139.5 Ų139.585%0.8575%0.748SS**  trans-61.9144.1173.4-70.1154.4135.800110.8
3C35Very low43.6Very low131 Ų131139.6 Ų139.689%0.88574%0.738SS**  trans-155.373.1147.8-95.90000106.6S5C3-S5 PolarHBondContact O-N 3.3Å
4T40.3Very low44.9Very low137 Ų137139.2 Ų139.284%0.8473%0.727SS**  trans-8193.9158.1490000106.8
5S43.7Very low45.7Very low108 Ų108133.3 Ų133.376%0.75570%0.696SS**PPolyproline II helixtrans-72.1122.5166.149.60000108.6C3C3-S5 PolarHBondContact O-N 3.3Å
6E42Very low46.9Very low170 Ų170131 Ų13179%0.79469%0.685SS**PPolyproline II helixtrans-56.1139.8164.6-71.3-174.8144.900109.3D8E6-D8 PolarHBondContact O-N 3.41Å
7P41.7Very low47.9Very low104 Ų104130.2 Ų130.268%0.67568%0.677SS**PPolyproline II helixtrans-65.3133.8175.425.4-31000110.2K9P7-K9 PolarHBondContact O-N 3.46Å
8D43.9Very low48.8Very low135 Ų135125.5 Ų125.572%0.72266%0.655SS**  trans-57.4109.7175.2-98.1-35.7000110.4E6 E10 P11E6-D8 PolarHBondContact O-N 3.41Å; D8-E10 VanDerWaalsContact C-N 3.26Å; D8-E10 PolarHBondContact O-N 3.25Å; D8-P11 WeakPolarHBondContact O-CD 3.48Å; D8-P11 WeakPolarHBondContact O-CG 2.72Å
9K50Low49.5Very low135 Ų135119.8 Ų119.859%0.58763%0.627SS**  trans-79-4.9178.7-64.9-177.7-179.6173.90113.9P7 K13P7-K9 PolarHBondContact O-N 3.46Å; K9-K13 PolarHBondContact O-N 3.07Å
10E45.8Very low50.3Low129 Ų129120.1 Ų120.160%0.60362%0.624SS**Hα-helixtrans-68.3-43.3-176.6-149.7-179.5179.400114.2D8 E12 K13 K14D8-E10 VanDerWaalsContact C-N 3.26Å; D8-E10 PolarHBondContact O-N 3.25Å; E10-E12 VanDerWaalsContact C-N 3.35Å; E10-E12 PolarHBondContact O-N 3.4Å; E10-K13 PolarHBondContact O-N 3.38Å; E10-K14 PolarHBondContact O-N 3.14Å
11P49.9Very low51Low75 Ų75121 Ų12149%0.48762%0.623SS.*Hα-helixtrans-62.7-37.8172.820.7-32.2000113.1D8 K13 K14 L15D8-P11 WeakPolarHBondContact O-CD 3.48Å; D8-P11 WeakPolarHBondContact O-CG 2.72Å; P11-K13 PolarHBondContact O-N 2.93Å; P11-K14 PolarHBondContact O-N 3.44Å; P11-L15 WeakPolarHBondContact O-CD1 3.25Å; P11-L15 PolarHBondContact O-N 3.21Å
12E49.9Very low52.2Low121 Ų121112.6 Ų112.657%0.56558%0.582SS**Hα-helixtrans-60.4-45.2177.5-67.8-176.4159.300111.7E10 K14 L15 D16E10-E12 VanDerWaalsContact C-N 3.35Å; E10-E12 PolarHBondContact O-N 3.4Å; E12-K14 PolarHBondContact O-N 3.2Å; E12-L15 WeakPolarHBondContact O-CB 3.31Å; E12-L15 PolarHBondContact O-N 3.27Å; E12-D16 PolarHBondContact O-N 3.2Å
13K57Low53.6Low141 Ų141106.5 Ų106.561%0.61356%0.555SS**Hα-helixtrans-62.4-39.1177.2-75.8-175.6178.7-179.40113.4K9 E10 P11 L15 D16 E17K9-K13 PolarHBondContact O-N 3.07Å; E10-K13 PolarHBondContact O-N 3.38Å; P11-K13 PolarHBondContact O-N 2.93Å; K13-L15 VanDerWaalsContact C-N 3.34Å; K13-D16 PolarHBondContact O-N 3.22Å; K13-E17 PolarHBondContact O-N 3.44Å
14K61Low54.7Low134 Ų134106.9 Ų106.958%0.58354%0.542SS*.Hα-helixtrans-67.8-36.6177.9-76.8-179.1-179.4168.70111.7E10 P11 E12 V18E10-K14 PolarHBondContact O-N 3.14Å; P11-K14 PolarHBondContact O-N 3.44Å; E12-K14 PolarHBondContact O-N 3.2Å; K14-V18 WeakPolarHBondContact O-CG2 3.4Å; K14-V18 PolarHBondContact O-N 2.97Å
15L57.2Low55.1Low50 Ų50105.3 Ų105.326%0.26253%0.528SS..Hα-helixtrans-63.6-45.8174.1-79.5155.3000111.1P11 E12 K13 E17 V18 C19 P104 L194P11-L15 WeakPolarHBondContact O-CD1 3.25Å; P11-L15 PolarHBondContact O-N 3.21Å; E12-L15 WeakPolarHBondContact O-CB 3.31Å; E12-L15 PolarHBondContact O-N 3.27Å; K13-L15 VanDerWaalsContact C-N 3.34Å; L15-E17 VanDerWaalsContact C-N 3.34Å; L15-E17 PolarHBondContact O-N 2.87Å; L15-V18 PolarHBondContact O-N 3.19Å; L15-V18 VanDerWaalsContact O-N 3.15Å; L15-C19 PolarHBondContact O-N 3.47Å; L15-C19 PolarHBondContact O-SG 3.44Å; L15-P104 HydrophobicContact CD2-CG 4.27Å; L15-L194 HydrophobicContact CD2-CD1 3.62Å
16D64.6Low55.2Low97 Ų97102.7 Ų102.752%0.51951%0.513SS..Hα-helixtrans-58-43.1177.4-73.4-19.5000112.6E12 K13 V18 C19 Q20E12-D16 PolarHBondContact O-N 3.2Å; K13-D16 PolarHBondContact O-N 3.22Å; D16-V18 VanDerWaalsContact C-N 3.34Å; D16-V18 PolarHBondContact O-N 2.94Å; D16-C19 PolarHBondContact O-N 3.49Å; D16-Q20 VanDerWaalsContact O-CG 3.31Å; D16-Q20 WeakPolarHBondContact O-CG 3.5Å; D16-Q20 PolarHBondContact O-N 3.48Å
17E63.7Low55.5Low118 Ų118101.6 Ų101.655%0.55151%0.508SS*.Hα-helixtrans-64.7-35.2177.6-74.9-175.9-174.800113.1K13 L15 K21K13-E17 PolarHBondContact O-N 3.44Å; L15-E17 VanDerWaalsContact C-N 3.34Å; L15-E17 PolarHBondContact O-N 2.87Å; E17-K21 WeakPolarHBondContact O-CG 3.49Å; E17-K21 PolarHBondContact O-N 3.37Å
18V64.5Low55.8Low45 Ų45103.3 Ų103.327%0.27351%0.51SS..Hα-helixtrans-72.6-44.4177175.20000110.4K14 L15 D16 Q20 K21 M22 L194K14-V18 WeakPolarHBondContact O-CG2 3.4Å; K14-V18 PolarHBondContact O-N 2.97Å; L15-V18 PolarHBondContact O-N 3.19Å; L15-V18 VanDerWaalsContact O-N 3.15Å; D16-V18 VanDerWaalsContact C-N 3.34Å; D16-V18 PolarHBondContact O-N 2.94Å; V18-Q20 VanDerWaalsContact C-N 3.35Å; V18-Q20 PolarHBondContact O-N 3.08Å; V18-K21 PolarHBondContact O-N 2.97Å; V18-K21 VanDerWaalsContact O-N 3.17Å; V18-M22 HydrophobicContact CG1-SD 4.47Å; V18-M22 PolarHBondContact O-N 3.45Å; V18-L194 HydrophobicContact CG1-CD2 4.04Å
19C62Low55.8Low18 Ų18102.6 Ų102.612%0.12251%0.506CS..Hα-helixtrans-54.8-49.5174.6-73.60000111.3L15 D16 K21 M22 D23 L194 R196L15-C19 PolarHBondContact O-N 3.47Å; L15-C19 PolarHBondContact O-SG 3.44Å; D16-C19 PolarHBondContact O-N 3.49Å; C19-K21 VanDerWaalsContact C-N 3.28Å; C19-K21 PolarHBondContact O-N 3.02Å; C19-M22 PolarHBondContact O-N 3.4Å; C19-M22 VanDerWaalsContact O-N 3.11Å; C19-D23 PolarHBondContact O-N 2.9Å; C19-L194 WeakPolarHBondContact SG-CD1 3.26Å; C19-R196 HydrophobicContact CB-CG 4.16Å
20Q64.7Low55.4Low125 Ų12599 Ų9958%0.58451%0.508SS*.Hα-helixtrans-61-33.3179.2-72.217622.500113.7D16 V18 K24D16-Q20 VanDerWaalsContact O-CG 3.31Å; D16-Q20 WeakPolarHBondContact O-CG 3.5Å; D16-Q20 PolarHBondContact O-N 3.48Å; V18-Q20 VanDerWaalsContact C-N 3.35Å; V18-Q20 PolarHBondContact O-N 3.08Å; Q20-K24 WeakPolarHBondContact O-CG 3.46Å; Q20-K24 PolarHBondContact O-N 3.23Å
21K65.2Low55.1Low138 Ų138100.4 Ų100.460%0.652%0.52SS*.Hα-helixtrans-71.7-40.5175.4-75.8175.6-175.9169.90111.6E17 V18 C19 L25E17-K21 WeakPolarHBondContact O-CG 3.49Å; E17-K21 PolarHBondContact O-N 3.37Å; V18-K21 PolarHBondContact O-N 2.97Å; V18-K21 VanDerWaalsContact O-N 3.17Å; C19-K21 VanDerWaalsContact C-N 3.28Å; C19-K21 PolarHBondContact O-N 3.02Å; K21-L25 WeakPolarHBondContact O-CD1 3.29Å; K21-L25 PolarHBondContact O-N 3.43Å
22M61.7Low54.3Low71 Ų71101.6 Ų101.635%0.3553%0.53SS..Hα-helixtrans-71.8-38179.7-66.2-164.38800112.3V18 C19 K24 L25 A26 L194V18-M22 HydrophobicContact CG1-SD 4.47Å; V18-M22 PolarHBondContact O-N 3.45Å; C19-M22 PolarHBondContact O-N 3.4Å; C19-M22 VanDerWaalsContact O-N 3.11Å; M22-K24 VanDerWaalsContact C-N 3.33Å; M22-K24 PolarHBondContact O-N 3.13Å; M22-L25 CarbonylContact O-C 3.41Å; M22-L25 WeakPolarHBondContact O-CA 3.4Å; M22-L25 WeakPolarHBondContact O-CB 3.48Å; M22-L25 PolarHBondContact O-N 2.83Å; M22-L25 VanDerWaalsContact O-N 3.07Å; M22-A26 PolarHBondContact O-N 3.46Å; M22-L194 HydrophobicContact SD-CD2 3.67Å
23D61.2Low53.6Low54 Ų54100.9 Ų100.929%0.28954%0.538SS..Hα-helixtrans-61.2-42.1175.4-71.2-22.9000111.2C19 L25 A26 E27C19-D23 PolarHBondContact O-N 2.9Å; D23-L25 VanDerWaalsContact C-N 3.3Å; D23-L25 PolarHBondContact O-N 3.17Å; D23-A26 PolarHBondContact O-N 3.37Å; D23-E27 WeakPolarHBondContact O-CG 3.47Å; D23-E27 PolarHBondContact O-N 3.27Å
24K59Low52.3Low140 Ų140100 Ų10061%0.60954%0.544SS*.Hα-helixtrans-61.4-36.1172.4-78179.5178.6177.10113.2Q20 M22 L28Q20-K24 WeakPolarHBondContact O-CG 3.46Å; Q20-K24 PolarHBondContact O-N 3.23Å; M22-K24 VanDerWaalsContact C-N 3.33Å; M22-K24 PolarHBondContact O-N 3.13Å; K24-L28 WeakPolarHBondContact O-CD1 3.38Å; K24-L28 VanDerWaalsContact O-CG 3.25Å; K24-L28 WeakPolarHBondContact O-CG 3.46Å; K24-L28 PolarHBondContact O-N 3.08Å
25L48.5Very low50.8Low103 Ų103104 Ų10454%0.53956%0.562SS.*Hα-helixtrans-70.5-36.9175.9-100.2134000111.9K21 M22 D23 L28 N29K21-L25 WeakPolarHBondContact O-CD1 3.29Å; K21-L25 PolarHBondContact O-N 3.43Å; M22-L25 CarbonylContact O-C 3.41Å; M22-L25 WeakPolarHBondContact O-CA 3.4Å; M22-L25 WeakPolarHBondContact O-CB 3.48Å; M22-L25 PolarHBondContact O-N 2.83Å; M22-L25 VanDerWaalsContact O-N 3.07Å; D23-L25 VanDerWaalsContact C-N 3.3Å; D23-L25 PolarHBondContact O-N 3.17Å; L25-L28 PolarHBondContact O-N 3.43Å; L25-N29 PolarHBondContact O-N 3.13Å; L25-N29 PolarHBondContact O-ND2 2.78Å
26A45.6Very low49.6Very low53 Ų53106.3 Ų106.344%0.43858%0.582SS.*Hα-helixtrans-68.3-41.6175.900000111.8M22 D23 L28 N29 G30M22-A26 PolarHBondContact O-N 3.46Å; D23-A26 PolarHBondContact O-N 3.37Å; A26-L28 VanDerWaalsContact C-N 3.32Å; A26-L28 PolarHBondContact O-N 3.24Å; A26-N29 PolarHBondContact O-N 3.3Å; A26-G30 PolarHBondContact O-N 3.18Å
27E49Very low48.1Very low148 Ų148106.4 Ų106.469%0.69260%0.596SS**Hα-helixtrans-61-39.4174.3-73.9179.1171.900112.3D23 N29D23-E27 WeakPolarHBondContact O-CG 3.47Å; D23-E27 PolarHBondContact O-N 3.27Å; E27-N29 PolarHBondContact O-N 3.4Å
28L46.9Very low46.6Very low139 Ų139107.9 Ų107.973%0.72861%0.613SS**Hα-helixtrans-69.7-29.7178.2-73.2166.9000113.5K24 L25 A26K24-L28 WeakPolarHBondContact O-CD1 3.38Å; K24-L28 VanDerWaalsContact O-CG 3.25Å; K24-L28 WeakPolarHBondContact O-CG 3.46Å; K24-L28 PolarHBondContact O-N 3.08Å; L25-L28 PolarHBondContact O-N 3.43Å; A26-L28 VanDerWaalsContact C-N 3.32Å; A26-L28 PolarHBondContact O-N 3.24Å
29N44.7Very low45.2Very low120 Ų120115.2 Ų115.264%0.64264%0.642SS**Hα-helixtrans-91.4-17.1-179.9-70.1-22.5000113.3L25 A26 E27L25-N29 PolarHBondContact O-N 3.13Å; L25-N29 PolarHBondContact O-ND2 2.78Å; A26-N29 PolarHBondContact O-N 3.3Å; E27-N29 PolarHBondContact O-N 3.4Å
30G41.8Very low43.7Very low60 Ų60124 Ų12462%0.61968%0.677SS**Hα-helixtrans-82.2-14.2-177.300000115.8A26 S32A26-G30 PolarHBondContact O-N 3.18Å; G30-S32 VanDerWaalsContact C-N 3.33Å; G30-S32 PolarHBondContact O-N 3.37Å
31D39.3Very low42.1Very low159 Ų159128.3 Ų128.385%0.8570%0.695SS**THydrogen-bonded Turntrans-91.212-172.3-143.39.9000114.2
32S32.6Very low40.8Very low100 Ų100132 Ų13270%0.69971%0.71SS**SBendtrans-121.354.4-179.268.80000113.8G30G30-S32 VanDerWaalsContact C-N 3.33Å; G30-S32 PolarHBondContact O-N 3.37Å
33S34.6Very low39.7Very low106 Ų106138.7 Ų138.774%0.74174%0.738SS**SBendtrans-164.8139.2151.357.90000114.3
34V31.6Very low38.5Very low121 Ų121145.5 Ų145.573%0.73377%0.767SS**  trans77.870.9163.9-151.60000118.5
35K29.4Very low37.6Very low220 Ų220148.8 Ų148.896%0.95778%0.782SS**  trans-88.892.5139.8-75.6-179.6-179.3169.50108.9
36S31.5Very low37Very low98 Ų98153.7 Ų153.769%0.68580%0.799SS**  trans-94.4112167.776.30000110.1
37A32.8Very low36.6Very low99 Ų99161.1 Ų161.182%0.81882%0.821SS**  trans-81114.2176.600000110.3K39A37-K39 PolarHBondContact O-N 3.44Å
38T32.4Very low36Very low149 Ų149161.1 Ų161.191%0.91483%0.831SS**  trans-82.698.7170.4-4.60000110.1
39K33.9Very low35.6Very low199 Ų199158.4 Ų158.487%0.86584%0.837SS**  trans-87.7112.2170.5-101.6179.4179.6172.40111.5A37A37-K39 PolarHBondContact O-N 3.44Å
40K30.6Very low35Very low201 Ų201162 Ų16287%0.87485%0.847SS**  trans27.9122143.6-72.7178.4175.3173.50120.1
41K31.9Very low34.7Very low217 Ų217164 Ų16494%0.94385%0.85SS**  trans-131.3110.4137.4-87.9-177179.9173.30109.8
42K37.2Very low34.7Very low215 Ų215162.5 Ų162.594%0.93585%0.847SS**  trans-134.4132.6159.6-107.6-177.9-179.2175.60109.6
43K39.1Very low34.6Very low212 Ų212165.1 Ų165.192%0.92285%0.853SS**  trans-64.2148.2-167.6-78169.8167.1172.40114
44H35.9Very low34.9Very low196 Ų196163.8 Ų163.891%0.90786%0.855SS**  trans-52.4137.5166-84-52.9000114.1
45K41.1Very low35.1Very low210 Ų210165 Ų16591%0.91386%0.858SS**  trans-149.7119139.7-142.7172.6-175.51760110.3
46K34.3Very low35.7Very low206 Ų206162.6 Ų162.690%0.89686%0.856SS**  trans-60.4137174.4-110.3170.4172.1174.10111.3
47K38.6Very low35.9Very low209 Ų209166.4 Ų166.491%0.90986%0.863SS**  trans-165.2139.2135.5-109.5175.8-178.4-175.20111.1
48T35.6Very low36.2Very low147 Ų147168.7 Ų168.790%0.90287%0.867SS**  trans-75.2147.8-172.140.20000114.2
49G38.8Very low36.3Very low82 Ų82168 Ų16885%0.84586%0.862SS**  trans-172.5132.8168.100000111
50K32.8Very low36.5Very low197 Ų197167.3 Ų167.386%0.85786%0.864SS**  trans-102.7164.9-159.1-163.5-172.5175.3177.10112.3
51C34Very low36.6Very low100 Ų100167.2 Ų167.268%0.67686%0.863SS**  trans82.8141.1161-58.50000116.7
52T38.8Very low36.8Very low128 Ų128165.8 Ų165.879%0.78586%0.86SS**  cis-170153.35.515.70000109.6
53N32.2Very low36.6Very low156 Ų156163.4 Ų163.483%0.83486%0.858SS**  trans-22.2150.6174.3-60.3-6.1000122.2
54G39.8Very low36.5Very low77 Ų77162.9 Ų162.979%0.79486%0.858SS**  trans-167.5112.9155.200000109.4
55D35.8Very low36.4Very low146 Ų146160.3 Ų160.378%0.78186%0.857SS**  trans-73.6149.5-175.4-55.8-58.8000112.8
56D42.1Very low35.9Very low171 Ų171154 Ų15491%0.91485%0.851SS**  trans-166.7135.2133-109.7-22.8000112.4
57E36.8Very low35.9Very low178 Ų178152.4 Ų152.483%0.83285%0.853SS**  trans-78.6145.4-177-61.8-177.7141.800112.5
58T37.4Very low35.8Very low147 Ų147146.2 Ų146.290%0.90284%0.841SS**  -170.3128126.610.20000111.8
59V35.3Very low35.6Very low133 Ų133144.7 Ų144.781%0.80684%0.836SS**  trans-92.9133.4175.7171.90000108.4
60M37.5Very low35.6Very low186 Ų186147.1 Ų147.192%0.91683%0.834SS**  trans-151.8125.4143.1-77.9-138.7-170.700110.2
61K34.3Very low35.5Very low198 Ų198145 Ų14586%0.86183%0.832SS**  trans-105.4130.1165.8-86.6-179.8172.8177.80106.8
62E35.5Very low35.4Very low188 Ų188145.8 Ų145.888%0.87984%0.838SS**  trans-137.4124.7153-76.2-173.2163.600108.9
63N32.4Very low35Very low165 Ų165150.8 Ų150.888%0.88284%0.842SS**  trans-109.8121.9164.6-103.5-5.3000104.4
64E37.7Very low35.2Very low200 Ų200152.9 Ų152.994%0.93585%0.847SS**  trans-142.2142.2153.6-78.1-160.2156.400111.1
65T33.1Very low34.7Very low142 Ų142156.8 Ų156.887%0.87185%0.849SS**  trans-100.6148-17240.40000111.6
66G30.5Very low34.9Very low78 Ų78157 Ų15780%0.80486%0.856SS**  trans95.312514700000116.4
67D35.3Very low34.4Very low173 Ų173153.9 Ų153.993%0.92585%0.847SS**  -164.8156.5107.7-144.9-8.1000112.2
68A36Very low34.4Very low79 Ų79150.4 Ų150.465%0.65384%0.843SS**  trans-94.9175-163.500000114.4
69S31.7Very low34.2Very low115 Ų115149.7 Ų149.780%0.80484%0.838SS**  trans-48.3145.517553.80000116.8
70V37.9Very low34.2Very low133 Ų133148.9 Ų148.981%0.80683%0.833SS**  trans-126.4124.1159.4-1780000110
71N30.9Very low34.2Very low152 Ų152149.5 Ų149.581%0.81383%0.831SS**  trans-126.8122.3170.4-165.79.4000106.2
72C32.2Very low34.1Very low117 Ų117146.8 Ų146.879%0.79183%0.831SS**  trans-131.2112.2175-66.70000109.7
73R30.2Very low34.2Very low232 Ų232143.2 Ų143.288%0.87583%0.827SS**  trans-94.8140.1157.6-78176168.2162.9-3.2107.3
74E37Very low34.2Very low201 Ų201143.4 Ų143.494%0.93983%0.828SS**  trans-161.1139.8141.2-113.4170.7-160.800112.2
75N30.1Very low34.2Very low159 Ų159143.8 Ų143.885%0.8583%0.827SS**  trans-82.3147-174.4-75.8-40.7000111.9
76V38.7Very low34.1Very low150 Ų150146.1 Ų146.191%0.90983%0.825SS**  trans-144.4128.1141.4-173.40000110.3
77S31.3Very low34.1Very low106 Ų106147.9 Ų147.974%0.74182%0.824SS**  trans-85.5147.4177.463.90000113.1
78S37Very low34Very low105 Ų105148.7 Ų148.773%0.73482%0.82SS**  -178.4105.9129.753.20000113.5
79T34.3Very low33.7Very low131 Ų131150.1 Ų150.180%0.80483%0.825SS**  58.5121.6122.66.70000124.2
80V35.3Very low33.9Very low117 Ų117153.5 Ų153.571%0.70983%0.828SS**  trans75.4110.5144.5-145.40000120.2
81K36.1Very low33.8Very low198 Ų198154.4 Ų154.486%0.86183%0.828SS**  178.4124.8103.2-90.6177-174174.80112.1
82T32.4Very low34.5Very low142 Ų142152.5 Ų152.587%0.87183%0.827SS**  trans-62.3132.417525.40000112.7
83S37.4Very low35.6Very low113 Ų113149.6 Ų149.679%0.7982%0.817SS**  trans-142.8118151.360.20000109.7K85S83-K85 PolarHBondContact O-N 3.28Å
84N32.9Very low37.5Very low168 Ų168144.5 Ų144.590%0.89881%0.812SS**  trans-62.9117.7174.8-85.1-29.4000110.2
85K38.1Very low39.7Very low209 Ų209138.8 Ų138.891%0.90979%0.79SS**  trans-106.3102.6159.1-102.2179.5176.6175.10109.3S83S83-K85 PolarHBondContact O-N 3.28Å
86K31.4Very low42.6Very low191 Ų191141 Ų14183%0.8379%0.787SS**  trans-66.9157.5157.9-91.5175.4170175.90109.7
87S30.7Very low45.4Very low114 Ų114136.3 Ų136.380%0.79776%0.755SS**  trans80.7133.116979.80000115.2
88K31.8Very low48.5Very low190 Ų190134.1 Ų134.183%0.82674%0.737SS**  cis-130.9136.821.9-79.3164.4166.5171.20110.3E90K88-E90 PolarHBondContact O-N 3.45Å
89S31.2Very low51.2Low110 Ų110136.4 Ų136.477%0.76974%0.741SS**  trans-61.9113.415353.10000107.1N91S89-N91 PolarHBondContact O-N 3.15Å
90E35.6Very low54.2Low186 Ų186133.4 Ų133.487%0.86972%0.724SS**  trans-64.794.7160.6-75.3-178.716600106.3K88 S92K88-E90 PolarHBondContact O-N 3.45Å; E90-S92 PolarHBondContact O-N 3.03Å
91N35.4Very low57.1Low151 Ų151128.3 Ų128.381%0.80769%0.693SS**  trans-59103.8154.3-108.32.3000104.1S89 G93S89-N91 PolarHBondContact O-N 3.15Å; N91-G93 PolarHBondContact O-N 3.31Å
92S44.7Very low60Low112 Ų112121.9 Ų121.978%0.78367%0.673SS**  trans-6475.8161.658.10000106.7E90 V94E90-S92 PolarHBondContact O-N 3.03Å; S92-V94 PolarHBondContact O-N 3.43Å; S92-V94 VanDerWaalsContact O-N 3.13Å
93G57Low63.2Low57 Ų57116.6 Ų116.659%0.58864%0.639SS**  trans-64.1112.3176.900000107N91 T95N91-G93 PolarHBondContact O-N 3.31Å; G93-T95 PolarHBondContact O-N 3.26Å
94V69.1Low66.1Low125 Ų125111.4 Ų111.476%0.75860%0.603SS**  trans-52.3113.7170.6178.30000106.9S92 R96S92-V94 PolarHBondContact O-N 3.43Å; S92-V94 VanDerWaalsContact O-N 3.13Å; V94-R96 PolarHBondContact O-N 3.17Å
95T83.4Confident69.2Low80 Ų80103.4 Ų103.449%0.49156%0.56SS.*  trans-64.4122.9177.2-600000106.9G93 I103 L108G93-T95 PolarHBondContact O-N 3.26Å; T95-I103 HydrophobicContact CG2-CD1 3.95Å; T95-I103 HydrophobicContact CG2-CG2 4.48Å; T95-L108 HydrophobicContact CG2-CD2 3.9Å
96R91.8Very high72Confident206 Ų20694.1 Ų94.178%0.77752%0.522SS*.  trans-105.3147.7178-67-174.6178.3-173.1-2.1108.9V94 I103V94-R96 PolarHBondContact O-N 3.17Å; R96-I103 VanDerWaalsContact O-CD1 3.26Å; R96-I103 WeakPolarHBondContact O-CD1 3.4Å
97Q96.5Very high75.1Confident51 Ų5189 Ų8924%0.23850%0.5CS..  trans-59150.2172.3-172.154.4-89.400111.3P101 I103 L108 L192Q97-P101 HydrophobicContact CG-CB 3.7Å; Q97-I103 PolarHBondContact NE2-O 3.03Å; Q97-L108 HydrophobicContact CB-CD1 4.25Å; Q97-L192 VanDerWaalsContact NE2-CD2 3.33Å
98T96.9Very high78.3Confident60 Ų6084.9 Ų84.937%0.36847%0.47SS..  trans-83.2170.7174.256.40000112P100 P101 S102 I103T98-P100 CarbonylContact C-O 3.51Å; T98-P100 VanDerWaalsContact C-O 3.24Å; T98-P100 WeakPolarHBondContact CB-O 3.43Å; T98-P100 CarbonylContact O-C 3.45Å; T98-P100 PolarHBondContact OG1-O 2.9Å; T98-P101 WeakPolarHBondContact O-CA 3.37Å; T98-S102 WeakPolarHBondContact OG1-CB 3.49Å; T98-S102 PolarHBondContact OG1-N 3.42Å; T98-S102 PolarHBondContact OG1-OG 2.93Å; T98-I103 HydrophobicContact CG2-CD1 4.03Å; T98-I103 HydrophobicContact CG2-CG1 4.08Å
99D94.1Very high81.4Confident153 Ų15378.8 Ų78.882%0.81844%0.442SS*.SBendtrans-128.7109.3169.5-170.914.3000109.1
100P95.4Very high84.4Confident68 Ų6879 Ų7944%0.44244%0.44SS..SBendcis-66.4158.61.230.5-36.8000112.9T98 S102 Y167T98-P100 CarbonylContact C-O 3.51Å; T98-P100 VanDerWaalsContact C-O 3.24Å; T98-P100 WeakPolarHBondContact CB-O 3.43Å; T98-P100 CarbonylContact O-C 3.45Å; T98-P100 PolarHBondContact OG1-O 2.9Å; P100-S102 PolarHBondContact O-N 3.11Å; P100-Y167 HydrophobicContact CB-CD2 4.3Å; P100-Y167 HydrophobicContact CB-CE2 3.63Å
101P97.6Very high87.2Confident10 Ų1078.6 Ų78.67%0.06544%0.436CS..  trans-68.8132.4-176.431.5-37.6000111.2Q97 T98 Y167 T188 L192Q97-P101 HydrophobicContact CG-CB 3.7Å; T98-P101 WeakPolarHBondContact O-CA 3.37Å; P101-Y167 HydrophobicContact CG-CD1 4.24Å; P101-Y167 HydrophobicContact CG-CD2 4.31Å; P101-Y167 HydrophobicContact CG-CG 3.85Å; P101-T188 HydrophobicContact CG-CG2 3.77Å; P101-L192 HydrophobicContact CB-CD1 4.06Å; P101-L192 HydrophobicContact CB-CD2 4.07Å; P101-L192 HydrophobicContact CG-CD1 4.31Å
102S97.2Very high90Very high63 Ų6372.6 Ų72.644%0.44141%0.41SS..  trans-146.7-16.1-173.7690000114.7T98 P100 P104T98-S102 WeakPolarHBondContact OG1-CB 3.49Å; T98-S102 PolarHBondContact OG1-N 3.42Å; T98-S102 PolarHBondContact OG1-OG 2.93Å; P100-S102 PolarHBondContact O-N 3.11Å; S102-P104 WeakPolarHBondContact O-CD 3.41Å
103I97.9Very high92.4Very high31 Ų3171.3 Ų71.316%0.15939%0.394CS..SBendtrans-83.2124.4179-58.5178.9000108.5T95 R96 Q97 T98 Q107 L108 L192T95-I103 HydrophobicContact CG2-CD1 3.95Å; T95-I103 HydrophobicContact CG2-CG2 4.48Å; R96-I103 VanDerWaalsContact O-CD1 3.26Å; R96-I103 WeakPolarHBondContact O-CD1 3.4Å; Q97-I103 PolarHBondContact NE2-O 3.03Å; T98-I103 HydrophobicContact CG2-CD1 4.03Å; T98-I103 HydrophobicContact CG2-CG1 4.08Å; I103-Q107 HydrophobicContact CG2-CB 3.94Å; I103-L108 HydrophobicContact CB-CD2 4.24Å; I103-L108 HydrophobicContact CG2-CD2 3.75Å; I103-L108 HydrophobicContact CG2-CG 4.09Å; I103-L192 WeakPolarHBondContact O-CD2 3.46Å
104P98.4Very high94.3Very high4 Ų469.7 Ų69.73%0.02637%0.37CS..  trans-53.4140.5174.1-28.835.4000113.4L15 S102 C106 Q107 L108 L192 L194L15-P104 HydrophobicContact CD2-CG 4.27Å; S102-P104 WeakPolarHBondContact O-CD 3.41Å; P104-C106 VanDerWaalsContact C-N 3.27Å; P104-C106 PolarHBondContact O-N 3.48Å; P104-Q107 HydrophobicContact CB-CG 4.18Å; P104-Q107 HydrophobicContact CG-CG 4.46Å; P104-Q107 WeakPolarHBondContact O-CB 3.48Å; P104-Q107 PolarHBondContact O-N 3.44Å; P104-L108 PolarHBondContact O-N 3.48Å; P104-L192 CarbonylContact C-O 3.58Å; P104-L192 WeakPolarHBondContact CA-O 3.47Å; P104-L194 HydrophobicContact CB-CB 3.93Å; P104-L194 HydrophobicContact CG-CB 4.07Å; P104-L194 HydrophobicContact CG-CD1 4.13Å
105V98.2Very high95.7Very high0 Ų065.6 Ų65.60%035%0.346CS..Hα-helixtrans-59.4-38.7-178.5166.60000111.7Q107 L108 Y109 Y114 E156 E159 V160 L192V105-Q107 PolarHBondContact O-N 3Å; V105-Q107 VanDerWaalsContact O-N 3.15Å; V105-L108 WeakPolarHBondContact O-CB 3.49Å; V105-L108 PolarHBondContact O-N 3.35Å; V105-Y109 HydrophobicContact CG1-CD2 4Å; V105-Y109 HydrophobicContact CG1-CE2 4.32Å; V105-Y109 WeakPolarHBondContact O-CD2 3.48Å; V105-Y109 PolarHBondContact O-N 3.36Å; V105-Y109 VanDerWaalsContact O-N 3.12Å; V105-Y114 HydrophobicContact CG1-CD1 3.9Å; V105-Y114 HydrophobicContact CG1-CE1 3.88Å; V105-E156 HydrophobicContact CG1-CG 4.31Å; V105-E159 HydrophobicContact CG1-CB 3.9Å; V105-E159 HydrophobicContact CG1-CG 3.73Å; V105-E159 HydrophobicContact CG2-CG 4.07Å; V105-V160 HydrophobicContact CB-CG2 3.8Å; V105-V160 HydrophobicContact CG2-CB 4.38Å; V105-V160 HydrophobicContact CG2-CG2 3.43Å; V105-V160 VanDerWaalsContact CG2-CG2 3.43Å; V105-L192 PolarHBondContact N-O 2.92Å
106C97.1Very high96.4Very high15 Ų1565.6 Ų65.610%0.10135%0.346CS..Hα-helixtrans-59.8-24.5175.264.10000113.9P104 Y109P104-C106 VanDerWaalsContact C-N 3.27Å; P104-C106 PolarHBondContact O-N 3.48Å; C106-Y109 CarbonylContact O-C 3.52Å
107Q97.2Very high96.7Very high82 Ų8256.3 Ų56.338%0.38332%0.315SS..Hα-helixtrans-83-25.4174.8-63.5179.612.600112.7I103 P104 V105I103-Q107 HydrophobicContact CG2-CB 3.94Å; P104-Q107 HydrophobicContact CB-CG 4.18Å; P104-Q107 HydrophobicContact CG-CG 4.46Å; P104-Q107 WeakPolarHBondContact O-CB 3.48Å; P104-Q107 PolarHBondContact O-N 3.44Å; V105-Q107 PolarHBondContact O-N 3Å; V105-Q107 VanDerWaalsContact O-N 3.15Å
108L97.2Very high96.8Very high29 Ų2957.8 Ų57.815%0.15232%0.322CS..Hα-helixtrans-73.8-30.5172.8-59.5177.7000111.6T95 Q97 I103 P104 V105 P110T95-L108 HydrophobicContact CG2-CD2 3.9Å; Q97-L108 HydrophobicContact CB-CD1 4.25Å; I103-L108 HydrophobicContact CB-CD2 4.24Å; I103-L108 HydrophobicContact CG2-CD2 3.75Å; I103-L108 HydrophobicContact CG2-CG 4.09Å; P104-L108 PolarHBondContact O-N 3.48Å; V105-L108 WeakPolarHBondContact O-CB 3.49Å; V105-L108 PolarHBondContact O-N 3.35Å; L108-P110 VanDerWaalsContact C-CD 3.44Å; L108-P110 WeakPolarHBondContact O-CD 3.48Å
109Y97Very high96.9Very high62 Ų6258.6 Ų58.624%0.24332%0.323CS..  trans-120.568.3-180-59.2-87.6000111.3V105 C106 K111 G112 D113 Y114 P115 E159V105-Y109 HydrophobicContact CG1-CD2 4Å; V105-Y109 HydrophobicContact CG1-CE2 4.32Å; V105-Y109 WeakPolarHBondContact O-CD2 3.48Å; V105-Y109 PolarHBondContact O-N 3.36Å; V105-Y109 VanDerWaalsContact O-N 3.12Å; C106-Y109 CarbonylContact O-C 3.52Å; Y109-K111 PolarHBondContact O-N 3.1Å; Y109-G112 PolarHBondContact O-N 3.36Å; Y109-D113 WeakPolarHBondContact CD1-O 3.48Å; Y109-Y114 AromaticContact CD2-CD1 3.84Å; Y109-Y114 HydrophobicContact CD2-CD1 3.84Å; Y109-Y114 HydrophobicContact CD2-CE1 4.32Å; Y109-Y114 AromaticContact CG-CD1 3.86Å; Y109-Y114 HydrophobicContact CG-CD1 3.86Å; Y109-Y114 HydrophobicContact CG-CE1 4.36Å; Y109-P115 HydrophobicContact CE1-CG 3.82Å; Y109-P115 HydrophobicContact CE2-CG 4.32Å; Y109-P115 VanDerWaalsContact OH-CG 3.26Å; Y109-P115 WeakPolarHBondContact OH-CG 3.42Å; Y109-E159 HydrophobicContact CE2-CG 4.06Å
110P95Very high97Very high113 Ų11353.3 Ų53.373%0.73429%0.294SS*.THydrogen-bonded Turntrans-64.1-12.6-172.425.9-35.9000114.7L108L108-P110 VanDerWaalsContact C-CD 3.44Å; L108-P110 WeakPolarHBondContact O-CD 3.48Å
111K94.8Very high96.8Very high179 Ų17954.4 Ų54.478%0.77830%0.296SS*.THydrogen-bonded Turntrans-91.6-3.3174.6-61.5177.6-179.4174.70113.2Y109 D113Y109-K111 PolarHBondContact O-N 3.1Å; K111-D113 HydrophobicContact CB-CB 4.48Å; K111-D113 PolarHBondContact O-N 2.81Å
112G94.1Very high96.4Very high25 Ų2555 Ų5526%0.25830%0.297SS..SBendtrans69.520.6-172.200000113.4Y109 Y114 Q152Y109-G112 PolarHBondContact O-N 3.36Å; G112-Y114 VanDerWaalsContact C-N 3.28Å; G112-Y114 PolarHBondContact O-N 2.91Å; G112-Q152 PolarHBondContact O-OE1 3.11Å
113D94.3Very high95.4Very high84 Ų8459.6 Ų59.645%0.44931%0.312SS..  trans-9058.7177.556.4-18.2000111.1Y109 K111Y109-D113 WeakPolarHBondContact CD1-O 3.48Å; K111-D113 HydrophobicContact CB-CB 4.48Å; K111-D113 PolarHBondContact O-N 2.81Å
114Y97.8Very high94.2Very high23 Ų2361.1 Ų61.19%0.0932%0.324CS..PPolyproline II helixtrans-63.6150.2-178.5-54.8-69000111.8V105 Y109 G112 V116 Q152 E156V105-Y114 HydrophobicContact CG1-CD1 3.9Å; V105-Y114 HydrophobicContact CG1-CE1 3.88Å; Y109-Y114 AromaticContact CD2-CD1 3.84Å; Y109-Y114 HydrophobicContact CD2-CD1 3.84Å; Y109-Y114 HydrophobicContact CD2-CE1 4.32Å; Y109-Y114 AromaticContact CG-CD1 3.86Å; Y109-Y114 HydrophobicContact CG-CD1 3.86Å; Y109-Y114 HydrophobicContact CG-CE1 4.36Å; G112-Y114 VanDerWaalsContact C-N 3.28Å; G112-Y114 PolarHBondContact O-N 2.91Å; Y114-V116 PolarHBondContact O-N 3.39Å; Y114-Q152 HydrophobicContact CD2-CB 4.12Å; Y114-Q152 VanDerWaalsContact CD2-O 3.29Å; Y114-Q152 WeakPolarHBondContact CD2-O 3.4Å; Y114-E156 HydrophobicContact CD1-CB 4.14Å; Y114-E156 HydrophobicContact CD1-CG 4.36Å; Y114-E156 HydrophobicContact CD2-CB 3.77Å; Y114-E156 HydrophobicContact CE1-CB 4Å; Y114-E156 HydrophobicContact CE1-CG 3.82Å; Y114-E156 HydrophobicContact CE2-CB 3.58Å; Y114-E156 HydrophobicContact CE2-CG 4.03Å; Y114-E156 WeakPolarHBondContact CE2-OE2 3.48Å; Y114-E156 HydrophobicContact CG-CB 4.02Å; Y114-E156 VanDerWaalsContact CZ-CD 3.48Å; Y114-E156 VanDerWaalsContact CZ-OE2 3.3Å; Y114-E156 PolarHBondContact OH-OE1 2.87Å; Y114-E156 PolarHBondContact OH-OE2 3.06Å
115P97.8Very high92.8Very high40 Ų4065 Ų6526%0.2634%0.344SS..PPolyproline II helixtrans-58.2131.5-177.5-24.534.9000112.5Y109 R155Y109-P115 HydrophobicContact CE1-CG 3.82Å; Y109-P115 HydrophobicContact CE2-CG 4.32Å; Y109-P115 VanDerWaalsContact OH-CG 3.26Å; Y109-P115 WeakPolarHBondContact OH-CG 3.42Å; P115-R155 WeakPolarHBondContact O-CG 3.46Å
116V98.3Very high91.4Very high79 Ų7970.6 Ų70.648%0.47938%0.384SS..PPolyproline II helixtrans-70.2138.8172.4-173.70000108.9Y114 I119 E455Y114-V116 PolarHBondContact O-N 3.39Å; V116-I119 HydrophobicContact CG1-CD1 3.68Å; V116-I119 HydrophobicContact CG1-CG1 3.94Å; V116-E455 HydrophobicContact CG1-CG 4.46Å; V116-E455 WeakPolarHBondContact CG1-OE1 3.45Å
117G98.5Very high89.9Confident12 Ų1273.4 Ų73.412%0.12440%0.398CS..  trans-70.2-172.1172.400000113.2I119 E455G117-I119 PolarHBondContact O-N 2.91Å; G117-E455 PolarHBondContact N-OE1 2.84Å
118E98.6Very high88.3Confident82 Ų8273.1 Ų73.138%0.38340%0.404SS..EExtended strand (participates in β ladder)trans-65.9127.8175.3179.2-168.5-172.500110.3I120 E455 V456 R459E118-I120 HydrophobicContact CG-CG1 4.23Å; E118-E455 CarbonylContact O-C 3.55Å; E118-E455 WeakPolarHBondContact O-CA 3.4Å; E118-V456 HydrophobicContact CB-CB 4.17Å; E118-V456 PolarHBondContact N-O 2.85Å; E118-V456 PolarHBondContact O-N 3.37Å; E118-R459 HydrophobicContact CB-CB 3.95Å; E118-R459 HydrophobicContact CB-CG 3.95Å; E118-R459 IonicContact OE2-CZ 2.75Å; E118-R459 IonicContact OE2-NE 3.9Å; E118-R459 PolarHBondContact OE2-NE 3.2Å; E118-R459 IonicContact OE2-NH2 2.85Å; E118-R459 PolarHBondContact OE2-NH2 2.92Å
119I97.8Very high86.8Confident77 Ų7781.4 Ų81.440%0.39543%0.433SS..EExtended strand (participates in β ladder)trans-98.4121.5178.4-60.3-62.2000109.8V116 G117 C453 E455V116-I119 HydrophobicContact CG1-CD1 3.68Å; V116-I119 HydrophobicContact CG1-CG1 3.94Å; G117-I119 PolarHBondContact O-N 2.91Å; I119-C453 HydrophobicContact CG2-CB 3.74Å; I119-E455 HydrophobicContact CD1-CB 3.77Å; I119-E455 HydrophobicContact CD1-CG 3.77Å
120I95.8Very high85.4Confident41 Ų4180.4 Ų80.421%0.2143%0.433CS..EExtended strand (participates in β ladder)trans-115.4126.2176.3-58.1174.8000107.9E118 I273 K454 V456E118-I120 HydrophobicContact CG-CG1 4.23Å; I120-I273 HydrophobicContact CD1-CG2 4.13Å; I120-K454 HydrophobicContact CB-CB 4.36Å; I120-K454 PolarHBondContact N-O 3.13Å; I120-K454 PolarHBondContact O-N 3.01Å; I120-V456 HydrophobicContact CD1-CG2 3.73Å; I120-V456 HydrophobicContact CG1-CG2 4.46Å
121N92.7Very high84.3Confident92 Ų9275.8 Ų75.849%0.49241%0.405SS..PPolyproline II helixtrans-69.8143.2171.7-68.6-44000109.6E123 T135N121-E123 PolarHBondContact O-N 2.82Å; N121-T135 PolarHBondContact OD1-OG1 3.44Å
122Y89Confident83.3Confident22 Ų2271.5 Ų71.59%0.08639%0.39CS..PPolyproline II helixtrans-68.3131.6169.9-65.8-65.4000109.7A131 I278 L449 R450 C453 K454Y122-A131 HydrophobicContact CG-CB 4.48Å; Y122-I278 HydrophobicContact CD2-CD1 4.43Å; Y122-I278 HydrophobicContact CE1-CD1 4.45Å; Y122-I278 HydrophobicContact CE1-CG1 4.15Å; Y122-I278 HydrophobicContact CE2-CD1 3.58Å; Y122-I278 HydrophobicContact CE2-CG1 4.17Å; Y122-I278 WeakPolarHBondContact OH-CD1 3.35Å; Y122-L449 HydrophobicContact CE1-CD2 4.2Å; Y122-L449 VanDerWaalsContact OH-C 3.29Å; Y122-L449 WeakPolarHBondContact OH-CA 3.43Å; Y122-L449 WeakPolarHBondContact OH-CB 3.42Å; Y122-R450 WeakPolarHBondContact CE2-O 3.47Å; Y122-R450 PolarHBondContact OH-N 2.92Å; Y122-R450 PolarHBondContact OH-O 3.34Å; Y122-C453 PolarHBondContact OH-O 2.79Å; Y122-K454 HydrophobicContact CD1-CB 4.39Å; Y122-K454 HydrophobicContact CE1-CB 3.73Å
123E76.5Confident82.6Confident159 Ų15975.6 Ų75.674%0.74341%0.405SS*.PPolyproline II helixtrans-75.3134.8170-64.7-62.3156.200108.8N121N121-E123 PolarHBondContact O-N 2.82Å
124P71.8Confident82.3Confident64 Ų6473.1 Ų73.142%0.41639%0.39SS..PPolyproline II helixtrans-62140.2171.326.2-31.4000109.6
125D69.7Low81.6Confident85 Ų8575.5 Ų75.546%0.45541%0.407SS..PPolyproline II helixtrans-62.2163.8172.3-163.2-9.5000110D127 C128 T130D125-D127 PolarHBondContact O-N 3.43Å; D125-C128 WeakPolarHBondContact O-CA 3.32Å; D125-C128 PolarHBondContact O-N 3.19Å; D125-T130 WeakPolarHBondContact CB-OG1 3.41Å
126S67.8Low81.1Confident118 Ų11877.8 Ų77.883%0.82542%0.42SS*.THydrogen-bonded Turntrans-49.6-28.4177.855.60000114.9
127D65.7Low80.8Confident74 Ų7475.8 Ų75.840%0.39641%0.409SS..THydrogen-bonded Turntrans-90.2-1.7176.472.3-4.5000113.8D125 R129D125-D127 PolarHBondContact O-N 3.43Å; D127-R129 HydrophobicContact CB-CG 4.19Å; D127-R129 WeakPolarHBondContact O-CG 3.45Å; D127-R129 PolarHBondContact O-N 2.96Å; D127-R129 WeakPolarHBondContact OD1-CB 3.38Å; D127-R129 PolarHBondContact OD1-N 2.92Å; D127-R129 VanDerWaalsContact OD2-CD 3.22Å; D127-R129 WeakPolarHBondContact OD2-CD 3.4Å; D127-R129 WeakPolarHBondContact OD2-CG 3.38Å; D127-R129 IonicContact OD2-NE 3.56Å
128C64.2Low80.5Confident76 Ų7681.6 Ų81.651%0.51443%0.433SS..SBendtrans47.441.7-173.8-62.50000111.8D125 I132D125-C128 WeakPolarHBondContact O-CA 3.32Å; D125-C128 PolarHBondContact O-N 3.19Å; C128-I132 HydrophobicContact CB-CD1 4.36Å; C128-I132 WeakPolarHBondContact O-CD1 3.48Å
129R64.7Low80.3Confident203 Ų20384.1 Ų84.177%0.76645%0.445SS*.  trans-103.2-29.3177.4-65.3-172.3-175.3164.6-2.2113.6D127D127-R129 HydrophobicContact CB-CG 4.19Å; D127-R129 WeakPolarHBondContact O-CG 3.45Å; D127-R129 PolarHBondContact O-N 2.96Å; D127-R129 WeakPolarHBondContact OD1-CB 3.38Å; D127-R129 PolarHBondContact OD1-N 2.92Å; D127-R129 VanDerWaalsContact OD2-CD 3.22Å; D127-R129 WeakPolarHBondContact OD2-CD 3.4Å; D127-R129 WeakPolarHBondContact OD2-CG 3.38Å; D127-R129 IonicContact OD2-NE 3.56Å
130T68.2Low80.1Confident40 Ų4081 Ų8125%0.24543%0.43CS..SBendtrans-106.1159.2-178.556.80000110.2D125 I132 D279D125-T130 WeakPolarHBondContact CB-OG1 3.41Å; T130-I132 PolarHBondContact O-N 3.19Å; T130-D279 HydrophobicContact CG2-CB 4.31Å
131A72.7Confident80.1Confident17 Ų1782.5 Ų82.514%0.1444%0.435CS..SBendtrans60.5-1.5177.200000118.7Y122 N133Y122-A131 HydrophobicContact CG-CB 4.48Å; A131-N133 PolarHBondContact O-N 2.98Å
132I73.6Confident80.2Confident89 Ų8981 Ų8146%0.45644%0.436SS..THydrogen-bonded Turntrans-61.6132.7177.9-51.6176.6000110.9C128 T130 R134C128-I132 HydrophobicContact CB-CD1 4.36Å; C128-I132 WeakPolarHBondContact O-CD1 3.48Å; T130-I132 PolarHBondContact O-N 3.19Å; I132-R134 PolarHBondContact O-N 2.66Å
133N78.6Confident80.5Confident110 Ų11084.1 Ų84.159%0.58845%0.447SS*.THydrogen-bonded Turntrans58.820.5168.5-62.5-33000113.8A131 T135 T136 S137A131-N133 PolarHBondContact O-N 2.98Å; N133-T135 PolarHBondContact O-N 3.04Å; N133-T136 WeakPolarHBondContact CB-OG1 3.38Å; N133-T136 PolarHBondContact O-N 3.43Å; N133-T136 VanDerWaalsContact O-N 3.09Å; N133-T136 PolarHBondContact O-OG1 3.31Å; N133-S137 WeakPolarHBondContact O-CB 3.35Å; N133-S137 PolarHBondContact O-N 3.14Å
134R87.6Confident81.5Confident33 Ų3376.8 Ų76.813%0.12541%0.413CS..THydrogen-bonded Turntrans-56.5-39.5177.8-82.2-175.1163.6-92.90.1112.1I132 T136 C140 I278 E342 P451I132-R134 PolarHBondContact O-N 2.66Å; R134-T136 VanDerWaalsContact C-N 3.33Å; R134-T136 PolarHBondContact O-N 3.41Å; R134-C140 VanDerWaalsContact O-CB 3.22Å; R134-C140 WeakPolarHBondContact O-CB 3.49Å; R134-I278 VanDerWaalsContact CZ-CD1 3.43Å; R134-I278 VanDerWaalsContact NH1-CD1 3.3Å; R134-E342 IonicContact CZ-OE2 3.48Å; R134-E342 IonicContact NH1-OE2 2.86Å; R134-E342 PolarHBondContact NH1-OE2 3.02Å; R134-E342 IonicContact NH2-OE2 3.58Å; R134-E342 PolarHBondContact NH2-OE2 2.92Å; R134-E342 VanDerWaalsContact NH2-OE2 3.14Å; R134-P451 WeakPolarHBondContact CD-O 3.34Å; R134-P451 PolarHBondContact NH1-O 3.23Å
135T83.9Confident82.6Confident72 Ų7279.1 Ų79.144%0.44242%0.422SS..THydrogen-bonded Turntrans-67-31.5178.2-380000113.1N121 N133 K141N121-T135 PolarHBondContact OD1-OG1 3.44Å; N133-T135 PolarHBondContact O-N 3.04Å; T135-K141 WeakPolarHBondContact O-CE 3.46Å
136T87.8Confident83.9Confident89 Ų8978.8 Ų78.855%0.54643%0.431SS..THydrogen-bonded Turntrans-101.2-19.6-175.354.90000113.6N133 R134 E138N133-T136 WeakPolarHBondContact CB-OG1 3.38Å; N133-T136 PolarHBondContact O-N 3.43Å; N133-T136 VanDerWaalsContact O-N 3.09Å; N133-T136 PolarHBondContact O-OG1 3.31Å; R134-T136 VanDerWaalsContact C-N 3.33Å; R134-T136 PolarHBondContact O-N 3.41Å; T136-E138 PolarHBondContact O-N 3.44Å
137S91.3Very high85.3Confident36 Ų3676 Ų7625%0.25241%0.405SS..  trans-64.3120.2179.6172.50000111.5N133 E139 C140 K141N133-S137 WeakPolarHBondContact O-CB 3.35Å; N133-S137 PolarHBondContact O-N 3.14Å; S137-E139 PolarHBondContact O-N 3.31Å; S137-C140 PolarHBondContact O-N 2.86Å; S137-C140 VanDerWaalsContact O-N 3.14Å; S137-C140 PolarHBondContact OG-N 3.1Å; S137-K141 WeakPolarHBondContact O-CG 3.33Å; S137-K141 PolarHBondContact O-N 2.94Å
138E93.4Very high86.7Confident134 Ų13475.6 Ų75.663%0.62641%0.405SS*.Hα-helixtrans-61.7-32.9177.1-67-57.3128.200112.3T136 K141 A142T136-E138 PolarHBondContact O-N 3.44Å; E138-K141 PolarHBondContact O-N 3.16Å; E138-K141 IonicContact OE1-NZ 3.33Å; E138-K141 PolarHBondContact OE1-NZ 3.29Å; E138-A142 WeakPolarHBondContact O-CB 3.24Å; E138-A142 PolarHBondContact O-N 3.36Å
139E93.6Very high88.3Confident136 Ų13679.3 Ų79.364%0.63642%0.415SS*.Hα-helixtrans-65.9-42.9174.1-175.6-175.7-179.800111.6S137 A142 R143S137-E139 PolarHBondContact O-N 3.31Å; E139-A142 PolarHBondContact O-N 3.43Å; E139-R143 WeakPolarHBondContact O-CG 3.35Å; E139-R143 PolarHBondContact O-N 3.26Å
140C93.4Very high89.9Confident10 Ų1071.3 Ų71.37%0.06839%0.387CS..Hα-helixtrans-65.3-43.9176.3-65.20000110.9R134 S137 A142 R143 D144 P451 T452R134-C140 VanDerWaalsContact O-CB 3.22Å; R134-C140 WeakPolarHBondContact O-CB 3.49Å; S137-C140 PolarHBondContact O-N 2.86Å; S137-C140 VanDerWaalsContact O-N 3.14Å; S137-C140 PolarHBondContact OG-N 3.1Å; C140-A142 VanDerWaalsContact C-N 3.35Å; C140-A142 PolarHBondContact O-N 3.45Å; C140-R143 PolarHBondContact O-N 3.48Å; C140-R143 PolarHBondContact SG-NH2 3.24Å; C140-D144 WeakPolarHBondContact O-CB 3.4Å; C140-D144 PolarHBondContact O-N 3.06Å; C140-P451 HydrophobicContact CB-CB 4.39Å; C140-P451 WeakPolarHBondContact O-CB 3.35Å; C140-T452 HydrophobicContact CB-CG2 4.13Å
141K95Very high91.3Very high73 Ų7369.5 Ų69.532%0.31738%0.376SS..Hα-helixtrans-60.6-42175.6-68.7175.3-169.2165.30112.4T135 S137 E138 D144 N145 T452T135-K141 WeakPolarHBondContact O-CE 3.46Å; S137-K141 WeakPolarHBondContact O-CG 3.33Å; S137-K141 PolarHBondContact O-N 2.94Å; E138-K141 PolarHBondContact O-N 3.16Å; E138-K141 IonicContact OE1-NZ 3.33Å; E138-K141 PolarHBondContact OE1-NZ 3.29Å; K141-D144 PolarHBondContact O-N 3.4Å; K141-N145 WeakPolarHBondContact O-CB 3.49Å; K141-N145 PolarHBondContact O-N 3.06Å; K141-N145 PolarHBondContact O-ND2 2.69Å; K141-T452 HydrophobicContact CG-CG2 4.08Å
142A95.5Very high92.5Very high62 Ų6270.7 Ų70.751%0.51238%0.378SS..Hα-helixtrans-62-44.2177.300000111.7E138 E139 C140 A146E138-A142 WeakPolarHBondContact O-CB 3.24Å; E138-A142 PolarHBondContact O-N 3.36Å; E139-A142 PolarHBondContact O-N 3.43Å; C140-A142 VanDerWaalsContact C-N 3.35Å; C140-A142 PolarHBondContact O-N 3.45Å; A142-A146 PolarHBondContact O-N 3.44Å
143R95.6Very high93.7Very high87 Ų8768.3 Ų68.333%0.32837%0.366SS..Hα-helixtrans-65.1-41.2174.9-69.7-174.9-65.1145.18.9112.1E139 C140 A146 H147 E342 P451E139-R143 WeakPolarHBondContact O-CG 3.35Å; E139-R143 PolarHBondContact O-N 3.26Å; C140-R143 PolarHBondContact O-N 3.48Å; C140-R143 PolarHBondContact SG-NH2 3.24Å; R143-A146 WeakPolarHBondContact O-CB 3.38Å; R143-A146 PolarHBondContact O-N 3.3Å; R143-H147 PolarHBondContact O-CD2 3.17Å; R143-E342 IonicContact CZ-OE1 2.74Å; R143-E342 VanDerWaalsContact CZ-OE1 3.31Å; R143-E342 IonicContact CZ-OE2 3.25Å; R143-E342 VanDerWaalsContact CZ-OE2 3.25Å; R143-E342 IonicContact NE-OE1 2.77Å; R143-E342 IonicContact NH1-OE1 2.7Å; R143-E342 PolarHBondContact NH1-OE1 3.5Å; R143-E342 IonicContact NH1-OE2 3.24Å; R143-E342 PolarHBondContact NH1-OE2 3.31Å; R143-E342 IonicContact NH2-OE1 3.4Å; R143-E342 IonicContact NH2-OE2 2.77Å; R143-E342 PolarHBondContact NH2-OE2 2.91Å; R143-P451 HydrophobicContact CB-CB 4.09Å; R143-P451 HydrophobicContact CB-CG 3.89Å
144D96.4Very high94.7Very high5 Ų563.3 Ų63.33%0.02734%0.338CS..Hα-helixtrans-62.6-47.7178-154.2-56.3000111.2C140 K141 A146 H147 Y151 R450 P451 T452C140-D144 WeakPolarHBondContact O-CB 3.4Å; C140-D144 PolarHBondContact O-N 3.06Å; K141-D144 PolarHBondContact O-N 3.4Å; D144-A146 PolarHBondContact O-N 3.29Å; D144-H147 PolarHBondContact O-N 3.01Å; D144-Y151 WeakPolarHBondContact O-CE2 3.37Å; D144-Y151 WeakPolarHBondContact OD1-CE2 3.42Å; D144-R450 IonicContact OD1-CZ 3.58Å; D144-R450 VanDerWaalsContact OD1-CZ 3.32Å; D144-R450 IonicContact OD1-NE 2.78Å; D144-R450 PolarHBondContact OD1-NE 3.09Å; D144-R450 IonicContact OD1-NH2 3.28Å; D144-R450 PolarHBondContact OD1-NH2 3.48Å; D144-R450 WeakPolarHBondContact OD2-CB 3.33Å; D144-R450 IonicContact OD2-CZ 3.64Å; D144-R450 IonicContact OD2-NE 2.77Å; D144-R450 IonicContact OD2-NH2 2.81Å; D144-R450 PolarHBondContact OD2-NH2 3.37Å; D144-P451 HydrophobicContact CB-CB 4.26Å; D144-P451 HydrophobicContact CB-CG 4.23Å; D144-T452 HydrophobicContact CB-CG2 3.86Å; D144-T452 WeakPolarHBondContact OD2-CB 3.12Å; D144-T452 WeakPolarHBondContact OD2-CG2 3.44Å; D144-T452 PolarHBondContact OD2-N 3.46Å; D144-T452 VanDerWaalsContact OD2-N 3.07Å; D144-T452 PolarHBondContact OD2-OG1 3.47Å
145N95.9Very high95.2Very high112 Ų11262.3 Ų62.360%0.59934%0.335SS*.Hα-helixtrans-60.8-31177.5-73.1-23.3000112.9K141 H147 V148K141-N145 WeakPolarHBondContact O-CB 3.49Å; K141-N145 PolarHBondContact O-N 3.06Å; K141-N145 PolarHBondContact O-ND2 2.69Å; N145-H147 PolarHBondContact O-N 3.27Å; N145-V148 WeakPolarHBondContact O-CG1 3.27Å; N145-V148 PolarHBondContact O-N 3.21Å
146A97Very high95.9Very high79 Ų7959.5 Ų59.565%0.65332%0.317SS*.Hα-helixtrans-65.6-1917700000113.4A142 R143 D144A142-A146 PolarHBondContact O-N 3.44Å; R143-A146 WeakPolarHBondContact O-CB 3.38Å; R143-A146 PolarHBondContact O-N 3.3Å; D144-A146 PolarHBondContact O-N 3.29Å
147H96.3Very high96.4Very high58 Ų5855.3 Ų55.327%0.26929%0.291SS..THydrogen-bonded Turntrans-108.89.7-179-73.5-103.1000113.3R143 D144 N145 E149 I150 Y151R143-H147 PolarHBondContact O-CD2 3.17Å; D144-H147 PolarHBondContact O-N 3.01Å; N145-H147 PolarHBondContact O-N 3.27Å; H147-E149 VanDerWaalsContact C-N 3.27Å; H147-E149 PolarHBondContact O-N 2.89Å; H147-E149 VanDerWaalsContact O-N 3.17Å; H147-I150 WeakPolarHBondContact O-CB 3.42Å; H147-I150 PolarHBondContact O-N 3.49Å; H147-Y151 HydrophobicContact CB-CD2 4.46Å; H147-Y151 HydrophobicContact CB-CE1 3.94Å; H147-Y151 HydrophobicContact CB-CE2 3.7Å; H147-Y151 WeakPolarHBondContact CB-OH 3.48Å; H147-Y151 WeakPolarHBondContact O-CD2 3.29Å; H147-Y151 PolarHBondContact O-N 3.24Å; H147-Y151 VanDerWaalsContact O-N 3.13Å
148V96.7Very high96.8Very high66 Ų6653.6 Ų53.640%0.428%0.279SS..Hα-helixtrans-55.4-38.5-17470.10000113.4N145 I150 Y151 Q152N145-V148 WeakPolarHBondContact O-CG1 3.27Å; N145-V148 PolarHBondContact O-N 3.21Å; V148-I150 VanDerWaalsContact C-N 3.34Å; V148-I150 PolarHBondContact O-N 3.47Å; V148-Y151 PolarHBondContact O-N 2.83Å; V148-Q152 WeakPolarHBondContact O-CG 3.25Å; V148-Q152 PolarHBondContact O-N 3.27Å
149E96.7Very high97.1Very high155 Ų15548.2 Ų48.272%0.72425%0.254SS*.Hα-helixtrans-64.1-39178.4-66.1-178-179.300112H147 Y151 Q152 Q153H147-E149 VanDerWaalsContact C-N 3.27Å; H147-E149 PolarHBondContact O-N 2.89Å; H147-E149 VanDerWaalsContact O-N 3.17Å; E149-Y151 VanDerWaalsContact C-N 3.35Å; E149-Q152 PolarHBondContact O-N 2.74Å; E149-Q153 WeakPolarHBondContact O-CG 3.4Å; E149-Q153 PolarHBondContact O-N 2.92Å; E149-Q153 VanDerWaalsContact O-N 3.16Å
150I98Very high97.3Very high35 Ų3541.8 Ų41.818%0.17922%0.223CC..Hα-helixtrans-65.4-42.4175.8-64.6172.9000109.8H147 V148 Q152 Q153 F154 R244 Y345H147-I150 WeakPolarHBondContact O-CB 3.42Å; H147-I150 PolarHBondContact O-N 3.49Å; V148-I150 VanDerWaalsContact C-N 3.34Å; V148-I150 PolarHBondContact O-N 3.47Å; I150-Q152 VanDerWaalsContact C-N 3.33Å; I150-Q152 PolarHBondContact O-N 3.18Å; I150-Q153 WeakPolarHBondContact O-CB 3.4Å; I150-Q153 PolarHBondContact O-N 3Å; I150-F154 HydrophobicContact CG2-CD2 3.96Å; I150-F154 HydrophobicContact CG2-CE2 3.73Å; I150-F154 VanDerWaalsContact O-CD2 3.32Å; I150-F154 WeakPolarHBondContact O-CD2 3.45Å; I150-F154 PolarHBondContact O-N 3.48Å; I150-R244 HydrophobicContact CG2-CG 4.37Å; I150-Y345 HydrophobicContact CG2-CE2 4.46Å; I150-Y345 WeakPolarHBondContact CG2-OH 3.4Å
151Y98.3Very high97.6Very high2 Ų241.3 Ų41.31%0.00822%0.22CC..Hα-helixtrans-64.7-37.6178-53.2-33000112.2D144 H147 V148 E149 Q153 F154 R155 Y345 L448 R450 P451D144-Y151 WeakPolarHBondContact O-CE2 3.37Å; D144-Y151 WeakPolarHBondContact OD1-CE2 3.42Å; H147-Y151 HydrophobicContact CB-CD2 4.46Å; H147-Y151 HydrophobicContact CB-CE1 3.94Å; H147-Y151 HydrophobicContact CB-CE2 3.7Å; H147-Y151 WeakPolarHBondContact CB-OH 3.48Å; H147-Y151 WeakPolarHBondContact O-CD2 3.29Å; H147-Y151 PolarHBondContact O-N 3.24Å; H147-Y151 VanDerWaalsContact O-N 3.13Å; V148-Y151 PolarHBondContact O-N 2.83Å; E149-Y151 VanDerWaalsContact C-N 3.35Å; Y151-Q153 VanDerWaalsContact C-N 3.32Å; Y151-Q153 PolarHBondContact O-N 3.38Å; Y151-F154 PolarHBondContact O-N 2.98Å; Y151-R155 WeakPolarHBondContact O-CB 3.39Å; Y151-R155 VanDerWaalsContact O-CG 3.25Å; Y151-R155 WeakPolarHBondContact O-CG 3.4Å; Y151-R155 PolarHBondContact O-N 3.5Å; Y151-Y345 HydrophobicContact CE1-CE1 4.33Å; Y151-L448 HydrophobicContact CD1-CD1 4.01Å; Y151-R450 HydrophobicContact CD1-CG 4.35Å; Y151-R450 HydrophobicContact CE1-CG 3.79Å; Y151-R450 HydrophobicContact CE2-CG 4.11Å; Y151-P451 WeakPolarHBondContact OH-CD 3.07Å
152Q98.4Very high97.8Very high41 Ų4139.3 Ų39.319%0.19221%0.211CC..Hα-helixtrans-64.5-36.3175.2-68.6-58.8-3.600112.5G112 Y114 V148 E149 I150 R155 E156G112-Q152 PolarHBondContact O-OE1 3.11Å; Y114-Q152 HydrophobicContact CD2-CB 4.12Å; Y114-Q152 VanDerWaalsContact CD2-O 3.29Å; Y114-Q152 WeakPolarHBondContact CD2-O 3.4Å; V148-Q152 WeakPolarHBondContact O-CG 3.25Å; V148-Q152 PolarHBondContact O-N 3.27Å; E149-Q152 PolarHBondContact O-N 2.74Å; I150-Q152 VanDerWaalsContact C-N 3.33Å; I150-Q152 PolarHBondContact O-N 3.18Å; Q152-R155 PolarHBondContact O-N 2.61Å; Q152-E156 PolarHBondContact O-N 3.36Å
153Q98.6Very high97.9Very high40 Ų4037.6 Ų37.619%0.18719%0.192CC..Hα-helixtrans-63.2-42.4174.3-69170.33.300112.2E149 I150 Y151 G157 V241 N242 R244E149-Q153 WeakPolarHBondContact O-CG 3.4Å; E149-Q153 PolarHBondContact O-N 2.92Å; E149-Q153 VanDerWaalsContact O-N 3.16Å; I150-Q153 WeakPolarHBondContact O-CB 3.4Å; I150-Q153 PolarHBondContact O-N 3Å; Y151-Q153 VanDerWaalsContact C-N 3.32Å; Y151-Q153 PolarHBondContact O-N 3.38Å; Q153-G157 PolarHBondContact O-N 3.23Å; Q153-V241 HydrophobicContact CB-CB 4.06Å; Q153-V241 HydrophobicContact CB-CG1 4.19Å; Q153-V241 HydrophobicContact CG-CB 4.4Å; Q153-V241 HydrophobicContact CG-CG1 3.96Å; Q153-N242 PolarHBondContact NE2-ND2 3.31Å; Q153-N242 VanDerWaalsContact NE2-ND2 3.18Å; Q153-R244 HydrophobicContact CB-CB 4.05Å; Q153-R244 HydrophobicContact CB-CG 3.77Å
154F98.8Very high98Very high4 Ų433.5 Ų33.52%0.01818%0.177CC..Hα-helixtrans-63.2-44.3172.2-79.5-74.4000111.9I150 Y151 E156 G157 A158 R244 I245 I246 Y345 T446 L448 V457I150-F154 HydrophobicContact CG2-CD2 3.96Å; I150-F154 HydrophobicContact CG2-CE2 3.73Å; I150-F154 VanDerWaalsContact O-CD2 3.32Å; I150-F154 WeakPolarHBondContact O-CD2 3.45Å; I150-F154 PolarHBondContact O-N 3.48Å; Y151-F154 PolarHBondContact O-N 2.98Å; F154-E156 PolarHBondContact O-N 2.96Å; F154-G157 PolarHBondContact O-N 3.43Å; F154-A158 WeakPolarHBondContact O-CB 3.42Å; F154-A158 PolarHBondContact O-N 3.11Å; F154-R244 HydrophobicContact CD1-CB 4.05Å; F154-R244 HydrophobicContact CD2-CB 4.04Å; F154-R244 HydrophobicContact CD2-CG 4.39Å; F154-R244 HydrophobicContact CE1-CB 4.01Å; F154-R244 HydrophobicContact CE2-CB 3.97Å; F154-R244 HydrophobicContact CE2-CG 4.18Å; F154-R244 HydrophobicContact CG-CB 4.08Å; F154-R244 HydrophobicContact CZ-CB 3.96Å; F154-R244 HydrophobicContact CZ-CG 4.5Å; F154-I245 VanDerWaalsContact CE1-O 3.23Å; F154-I245 WeakPolarHBondContact CE1-O 3.47Å; F154-I246 HydrophobicContact CB-CD1 4.23Å; F154-I246 HydrophobicContact CD1-CD1 3.81Å; F154-I246 WeakPolarHBondContact O-CD1 3.19Å; F154-I246 WeakPolarHBondContact O-CG1 3.49Å; F154-Y345 HydrophobicContact CE1-CG 4.48Å; F154-Y345 AromaticContact CE2-CD1 4Å; F154-Y345 HydrophobicContact CE2-CD1 4Å; F154-Y345 AromaticContact CE2-CD2 3.76Å; F154-Y345 HydrophobicContact CE2-CD2 3.76Å; F154-Y345 AromaticContact CE2-CE1 3.93Å; F154-Y345 HydrophobicContact CE2-CE1 3.93Å; F154-Y345 AromaticContact CE2-CE2 3.67Å; F154-Y345 HydrophobicContact CE2-CE2 3.67Å; F154-Y345 AromaticContact CE2-CG 3.91Å; F154-Y345 HydrophobicContact CE2-CG 3.91Å; F154-Y345 AromaticContact CE2-CZ 3.77Å; F154-Y345 HydrophobicContact CZ-CD1 4.11Å; F154-Y345 AromaticContact CZ-CD2 3.46Å; F154-Y345 HydrophobicContact CZ-CD2 3.46Å; F154-Y345 VanDerWaalsContact CZ-CD2 3.46Å; F154-Y345 HydrophobicContact CZ-CE1 4.46Å; F154-Y345 AromaticContact CZ-CE2 3.85Å; F154-Y345 HydrophobicContact CZ-CE2 3.85Å; F154-Y345 AromaticContact CZ-CG 3.59Å; F154-Y345 HydrophobicContact CZ-CG 3.59Å; F154-T446 HydrophobicContact CD1-CG2 4.47Å; F154-T446 HydrophobicContact CE1-CG2 4.43Å; F154-L448 HydrophobicContact CB-CD1 4.13Å; F154-L448 HydrophobicContact CB-CD2 4.33Å; F154-L448 HydrophobicContact CD1-CD2 3.92Å; F154-L448 HydrophobicContact CD2-CD1 4.24Å; F154-L448 HydrophobicContact CD2-CD2 3.77Å; F154-L448 HydrophobicContact CE1-CD2 4.07Å; F154-L448 HydrophobicContact CE2-CD2 3.95Å; F154-L448 HydrophobicContact CG-CD1 4.31Å; F154-L448 HydrophobicContact CG-CD2 3.77Å; F154-L448 HydrophobicContact CZ-CD2 4.1Å; F154-V457 HydrophobicContact CB-CG1 4.5Å; F154-V457 HydrophobicContact CB-CG2 4.05Å
155R98.8Very high98.2Very high13 Ų1333.2 Ų33.25%0.04918%0.175CC..Hα-helixtrans-64.9-37.1-179.2-71.2169-172.8156.24.2112.9P115 Y151 Q152 A158 E159 E455 V457P115-R155 WeakPolarHBondContact O-CG 3.46Å; Y151-R155 WeakPolarHBondContact O-CB 3.39Å; Y151-R155 VanDerWaalsContact O-CG 3.25Å; Y151-R155 WeakPolarHBondContact O-CG 3.4Å; Y151-R155 PolarHBondContact O-N 3.5Å; Q152-R155 PolarHBondContact O-N 2.61Å; R155-A158 PolarHBondContact O-N 3.35Å; R155-E159 WeakPolarHBondContact O-CB 3.15Å; R155-E159 PolarHBondContact O-N 3.15Å; R155-E455 IonicContact CZ-OE1 3.73Å; R155-E455 IonicContact CZ-OE2 3.99Å; R155-E455 IonicContact NE-OE1 2.72Å; R155-E455 PolarHBondContact NE-OE1 3.35Å; R155-E455 IonicContact NE-OE2 3.39Å; R155-E455 IonicContact NH2-OE1 3.64Å; R155-E455 PolarHBondContact NH2-OE1 2.87Å; R155-E455 IonicContact NH2-OE2 3.4Å; R155-E455 PolarHBondContact NH2-OE2 3Å; R155-V457 HydrophobicContact CB-CG2 4.49Å; R155-V457 HydrophobicContact CG-CG2 3.78Å
156E98.8Very high98.3Very high13 Ų1331.8 Ų31.86%0.06117%0.168CC..Hα-helixtrans-59.1-53.3171.9-175.6173.4175.400110.9V105 Y114 Q152 F154 A158 E159 V160 I193 V241V105-E156 HydrophobicContact CG1-CG 4.31Å; Y114-E156 HydrophobicContact CD1-CB 4.14Å; Y114-E156 HydrophobicContact CD1-CG 4.36Å; Y114-E156 HydrophobicContact CD2-CB 3.77Å; Y114-E156 HydrophobicContact CE1-CB 4Å; Y114-E156 HydrophobicContact CE1-CG 3.82Å; Y114-E156 HydrophobicContact CE2-CB 3.58Å; Y114-E156 HydrophobicContact CE2-CG 4.03Å; Y114-E156 WeakPolarHBondContact CE2-OE2 3.48Å; Y114-E156 HydrophobicContact CG-CB 4.02Å; Y114-E156 VanDerWaalsContact CZ-CD 3.48Å; Y114-E156 VanDerWaalsContact CZ-OE2 3.3Å; Y114-E156 PolarHBondContact OH-OE1 2.87Å; Y114-E156 PolarHBondContact OH-OE2 3.06Å; Q152-E156 PolarHBondContact O-N 3.36Å; F154-E156 PolarHBondContact O-N 2.96Å; E156-A158 PolarHBondContact O-N 2.77Å; E156-E159 PolarHBondContact O-N 3.12Å; E156-V160 PolarHBondContact O-N 2.84Å; E156-I193 HydrophobicContact CG-CD1 4.38Å; E156-V241 HydrophobicContact CB-CG2 4.02Å; E156-V241 HydrophobicContact CG-CG2 3.92Å
157G98.8Very high98.3Very high0 Ų029.5 Ų29.50%014%0.142CC..Hα-helixtrans-58.9-37.5176.900000112.5Q153 F154 V160 H161Q153-G157 PolarHBondContact O-N 3.23Å; F154-G157 PolarHBondContact O-N 3.43Å; G157-V160 PolarHBondContact O-N 3.13Å; G157-H161 WeakPolarHBondContact O-CB 3.23Å; G157-H161 PolarHBondContact O-N 3.04Å
158A98.9Very high98.4Very high0 Ų026.7 Ų26.70%013%0.129CC..Hα-helixtrans-71.8-35.9-17800000111.7F154 R155 E156 H161 R162 I246 V457F154-A158 WeakPolarHBondContact O-CB 3.42Å; F154-A158 PolarHBondContact O-N 3.11Å; R155-A158 PolarHBondContact O-N 3.35Å; E156-A158 PolarHBondContact O-N 2.77Å; A158-H161 WeakPolarHBondContact O-CB 3.32Å; A158-H161 PolarHBondContact O-N 3.25Å; A158-R162 WeakPolarHBondContact O-CG 3.43Å; A158-R162 PolarHBondContact O-N 2.7Å; A158-I246 HydrophobicContact CB-CD1 3.91Å; A158-I246 HydrophobicContact CB-CG1 4.07Å; A158-V457 HydrophobicContact CB-CG2 4Å; A158-V457 WeakPolarHBondContact CB-O 3.44Å
159E98.8Very high98.4Very high22 Ų2226.4 Ų26.410%0.10312%0.123CC..Hα-helixtrans-68.3-39.8174.7-176.156-153.900111.7V105 Y109 R155 E156 H161 R162 Q163V105-E159 HydrophobicContact CG1-CB 3.9Å; V105-E159 HydrophobicContact CG1-CG 3.73Å; V105-E159 HydrophobicContact CG2-CG 4.07Å; Y109-E159 HydrophobicContact CE2-CG 4.06Å; R155-E159 WeakPolarHBondContact O-CB 3.15Å; R155-E159 PolarHBondContact O-N 3.15Å; E156-E159 PolarHBondContact O-N 3.12Å; E159-H161 VanDerWaalsContact C-N 3.32Å; E159-H161 PolarHBondContact O-N 3.48Å; E159-R162 PolarHBondContact O-N 3.2Å; E159-R162 IonicContact OE2-CZ 2.75Å; E159-R162 VanDerWaalsContact OE2-CZ 3.25Å; E159-R162 IonicContact OE2-NE 3.47Å; E159-R162 PolarHBondContact OE2-NE 2.67Å; E159-R162 IonicContact OE2-NH2 2.75Å; E159-R162 PolarHBondContact OE2-NH2 3.2Å; E159-Q163 WeakPolarHBondContact O-CG 3.33Å; E159-Q163 PolarHBondContact O-N 3.46Å; E159-Q163 WeakPolarHBondContact OE1-CG 3.47Å; E159-Q163 PolarHBondContact OE1-NE2 2.94Å
160V98.8Very high98.4Very high0 Ų026.4 Ų26.40%012%0.12CC..Hα-helixtrans-59.9-44.7170.5172.60000111V105 E156 G157 Q163 T164 L192 I193 V239V105-V160 HydrophobicContact CB-CG2 3.8Å; V105-V160 HydrophobicContact CG2-CB 4.38Å; V105-V160 HydrophobicContact CG2-CG2 3.43Å; V105-V160 VanDerWaalsContact CG2-CG2 3.43Å; E156-V160 PolarHBondContact O-N 2.84Å; G157-V160 PolarHBondContact O-N 3.13Å; V160-Q163 PolarHBondContact O-N 3.07Å; V160-T164 VanDerWaalsContact O-CB 3.26Å; V160-T164 WeakPolarHBondContact O-CB 3.36Å; V160-T164 PolarHBondContact O-N 2.91Å; V160-T164 PolarHBondContact O-OG1 3.14Å; V160-L192 HydrophobicContact CB-CB 4.47Å; V160-L192 HydrophobicContact CG1-CB 3.8Å; V160-L192 HydrophobicContact CG2-CB 4.17Å; V160-I193 HydrophobicContact CB-CD1 4.43Å; V160-I193 HydrophobicContact CG1-CB 4.18Å; V160-I193 HydrophobicContact CG2-CB 4.14Å; V160-I193 HydrophobicContact CG2-CD1 3.79Å; V160-V239 HydrophobicContact CB-CG1 4.11Å; V160-V239 HydrophobicContact CG1-CG1 3.99Å; V160-V239 HydrophobicContact CG1-CG2 3.99Å
161H98.9Very high98.3Very high0 Ų027.7 Ų27.70%012%0.123CC..Hα-helixtrans-60-49.7178.4-165.5-71.2000111.5G157 A158 E159 Q163 T164 R165 F237 I246 C248G157-H161 WeakPolarHBondContact O-CB 3.23Å; G157-H161 PolarHBondContact O-N 3.04Å; A158-H161 WeakPolarHBondContact O-CB 3.32Å; A158-H161 PolarHBondContact O-N 3.25Å; E159-H161 VanDerWaalsContact C-N 3.32Å; E159-H161 PolarHBondContact O-N 3.48Å; H161-Q163 PolarHBondContact O-N 3.32Å; H161-T164 PolarHBondContact O-N 2.99Å; H161-R165 WeakPolarHBondContact ND1-CD 3.42Å; H161-R165 PolarHBondContact ND1-NH1 3.15Å; H161-R165 WeakPolarHBondContact O-CB 3.46Å; H161-R165 WeakPolarHBondContact O-CG 3.48Å; H161-R165 PolarHBondContact O-N 2.92Å; H161-F237 HydrophobicContact CB-CE2 4.4Å; H161-F237 HydrophobicContact CB-CZ 4.43Å; H161-F237 AromaticContact CD2-CD2 3.86Å; H161-F237 AromaticContact CD2-CE1 3.97Å; H161-F237 AromaticContact CD2-CE2 3.42Å; H161-F237 VanDerWaalsContact CD2-CE2 3.42Å; H161-F237 WeakPolarHBondContact CD2-CE2 3.36Å; H161-F237 AromaticContact CD2-CZ 3.48Å; H161-F237 VanDerWaalsContact CD2-CZ 3.48Å; H161-F237 WeakPolarHBondContact CD2-CZ 3.49Å; H161-F237 PolarHBondContact CD2-O 3.05Å; H161-F237 AromaticContact CE1-CE1 3.36Å; H161-F237 WeakPolarHBondContact CE1-CE1 3.48Å; H161-F237 AromaticContact CE1-CZ 3.44Å; H161-F237 VanDerWaalsContact CE1-CZ 3.44Å; H161-F237 WeakPolarHBondContact CE1-CZ 3.49Å; H161-F237 AromaticContact CG-CE2 3.82Å; H161-F237 AromaticContact CG-CZ 3.62Å; H161-F237 AromaticContact ND1-CE1 4Å; H161-F237 AromaticContact ND1-CZ 3.62Å; H161-F237 AromaticContact NE2-CD1 3.64Å; H161-F237 AromaticContact NE2-CD2 3.94Å; H161-F237 AromaticContact NE2-CE1 3.33Å; H161-F237 VanDerWaalsContact NE2-CE1 3.33Å; H161-F237 WeakPolarHBondContact NE2-CE1 3.45Å; H161-F237 AromaticContact NE2-CE2 3.67Å; H161-F237 AromaticContact NE2-CG 3.94Å; H161-F237 AromaticContact NE2-CZ 3.35Å; H161-F237 WeakPolarHBondContact NE2-CZ 3.34Å; H161-F237 PolarHBondContact NE2-O 2.75Å; H161-I246 HydrophobicContact CB-CG2 4.1Å; H161-C248 PolarHBondContact CE1-O 3.07Å; H161-C248 PolarHBondContact NE2-O 3.19Å
162R98.8Very high98.3Very high32 Ų3228 Ų2812%0.12113%0.125CC..Hα-helixtrans-56.1-48.8175.5-79.5-172.2-70.5-87.1-1.9112.9A158 E159 R165 N166 V457 R459A158-R162 WeakPolarHBondContact O-CG 3.43Å; A158-R162 PolarHBondContact O-N 2.7Å; E159-R162 PolarHBondContact O-N 3.2Å; E159-R162 IonicContact OE2-CZ 2.75Å; E159-R162 VanDerWaalsContact OE2-CZ 3.25Å; E159-R162 IonicContact OE2-NE 3.47Å; E159-R162 PolarHBondContact OE2-NE 2.67Å; E159-R162 IonicContact OE2-NH2 2.75Å; E159-R162 PolarHBondContact OE2-NH2 3.2Å; R162-R165 WeakPolarHBondContact O-CG 3.33Å; R162-N166 WeakPolarHBondContact O-CB 3.41Å; R162-N166 PolarHBondContact O-N 3.25Å; R162-V457 PolarHBondContact NH1-O 2.77Å; R162-R459 WeakPolarHBondContact CD-O 3.4Å; R162-R459 PolarHBondContact NH1-O 3.2Å; R162-R459 VanDerWaalsContact NH1-O 3.14Å
163Q98.6Very high98.3Very high26 Ų2631.5 Ų31.512%0.12114%0.136CC..Hα-helixtrans-67.5-42.3-179.2-69.5-172.429.600111.7E159 V160 H161 Y167 L192E159-Q163 WeakPolarHBondContact O-CG 3.33Å; E159-Q163 PolarHBondContact O-N 3.46Å; E159-Q163 WeakPolarHBondContact OE1-CG 3.47Å; E159-Q163 PolarHBondContact OE1-NE2 2.94Å; V160-Q163 PolarHBondContact O-N 3.07Å; H161-Q163 PolarHBondContact O-N 3.32Å; Q163-Y167 PolarHBondContact O-N 3.15Å; Q163-Y167 VanDerWaalsContact O-N 3.11Å; Q163-L192 HydrophobicContact CB-CD1 3.74Å
164T98.7Very high98.2Very high0 Ų032 Ų320%014%0.143CC..Hα-helixtrans-61.9-51.8177.4-57.70000110.9V160 H161 N166 Y167 I168 L185 T188 F237V160-T164 VanDerWaalsContact O-CB 3.26Å; V160-T164 WeakPolarHBondContact O-CB 3.36Å; V160-T164 PolarHBondContact O-N 2.91Å; V160-T164 PolarHBondContact O-OG1 3.14Å; H161-T164 PolarHBondContact O-N 2.99Å; T164-N166 VanDerWaalsContact C-N 3.35Å; T164-N166 PolarHBondContact O-N 3.41Å; T164-Y167 PolarHBondContact O-N 3.19Å; T164-I168 HydrophobicContact CG2-CG1 4.24Å; T164-I168 WeakPolarHBondContact O-CB 3.46Å; T164-I168 VanDerWaalsContact O-CG1 3.32Å; T164-I168 WeakPolarHBondContact O-CG1 3.18Å; T164-I168 PolarHBondContact O-N 3.14Å; T164-L185 HydrophobicContact CG2-CD2 4.25Å; T164-L185 HydrophobicContact CG2-CG 3.92Å; T164-T188 HydrophobicContact CG2-CG2 4.32Å; T164-F237 HydrophobicContact CG2-CE2 3.88Å; T164-F237 HydrophobicContact CG2-CZ 3.95Å
165R98.5Very high98.2Very high0 Ų034.6 Ų34.60%017%0.17CC..Hα-helixtrans-65.9-36.5-17879.2-164.1-169.1-159.53.3112.4H161 R162 I168 K169 F237 C248 F250 S458 G460 D462 Y463H161-R165 WeakPolarHBondContact ND1-CD 3.42Å; H161-R165 PolarHBondContact ND1-NH1 3.15Å; H161-R165 WeakPolarHBondContact O-CB 3.46Å; H161-R165 WeakPolarHBondContact O-CG 3.48Å; H161-R165 PolarHBondContact O-N 2.92Å; R162-R165 WeakPolarHBondContact O-CG 3.33Å; R165-I168 PolarHBondContact O-N 3.17Å; R165-K169 WeakPolarHBondContact O-CB 3.29Å; R165-K169 VanDerWaalsContact O-CG 3.26Å; R165-K169 WeakPolarHBondContact O-CG 3.18Å; R165-K169 PolarHBondContact O-N 3.14Å; R165-F237 HydrophobicContact CB-CE1 4.01Å; R165-F237 HydrophobicContact CB-CZ 4.04Å; R165-C248 PolarHBondContact NH1-SG 2.56Å; R165-F250 HydrophobicContact CB-CD1 4.4Å; R165-F250 HydrophobicContact CB-CE1 3.79Å; R165-S458 PolarHBondContact NH1-O 3.28Å; R165-S458 PolarHBondContact NH2-O 2.8Å; R165-S458 VanDerWaalsContact NH2-O 3.15Å; R165-G460 VanDerWaalsContact NH2-N 3.14Å; R165-D462 IonicContact CZ-OD1 2.74Å; R165-D462 IonicContact CZ-OD2 2.75Å; R165-D462 IonicContact NE-OD1 3.59Å; R165-D462 PolarHBondContact NE-OD1 3.38Å; R165-D462 IonicContact NE-OD2 3.75Å; R165-D462 PolarHBondContact NE-OD2 3.11Å; R165-D462 IonicContact NH2-OD1 3.47Å; R165-D462 PolarHBondContact NH2-OD1 3.46Å; R165-D462 IonicContact NH2-OD2 3.18Å; R165-Y463 VanDerWaalsContact NE-CE1 3.33Å
166N98.2Very high98.2Very high82 Ų8234.6 Ų34.644%0.43917%0.171SC..Hα-helixtrans-63-40.9175.2179.640000112.1R162 T164 K170R162-N166 WeakPolarHBondContact O-CB 3.41Å; R162-N166 PolarHBondContact O-N 3.25Å; T164-N166 VanDerWaalsContact C-N 3.35Å; T164-N166 PolarHBondContact O-N 3.41Å; N166-K170 PolarHBondContact ND2-NZ 2.92Å; N166-K170 WeakPolarHBondContact O-CD 3.31Å; N166-K170 WeakPolarHBondContact O-CG 3.31Å; N166-K170 VanDerWaalsContact OD1-CE 3.31Å; N166-K170 WeakPolarHBondContact OD1-CE 3.43Å; N166-K170 PolarHBondContact OD1-NZ 3.26Å
167Y98.1Very high98.2Very high30 Ų3038.6 Ų38.612%0.11819%0.186CC..Hα-helixtrans-67-50.4174.2168.8-113.9000111.5P100 P101 Q163 T164 K169 K170 W171 E184 T188P100-Y167 HydrophobicContact CB-CD2 4.3Å; P100-Y167 HydrophobicContact CB-CE2 3.63Å; P101-Y167 HydrophobicContact CG-CD1 4.24Å; P101-Y167 HydrophobicContact CG-CD2 4.31Å; P101-Y167 HydrophobicContact CG-CG 3.85Å; Q163-Y167 PolarHBondContact O-N 3.15Å; Q163-Y167 VanDerWaalsContact O-N 3.11Å; T164-Y167 PolarHBondContact O-N 3.19Å; Y167-K169 PolarHBondContact O-N 3.33Å; Y167-K170 WeakPolarHBondContact O-CB 3.35Å; Y167-K170 PolarHBondContact O-N 3.2Å; Y167-W171 HydrophobicContact CE2-CB 4.48Å; Y167-W171 AromaticContact CZ-CD1 3.84Å; Y167-W171 PolarHBondContact O-N 3.47Å; Y167-E184 HydrophobicContact CE1-CG 4.18Å; Y167-E184 VanDerWaalsContact CE1-OE1 3.29Å; Y167-E184 WeakPolarHBondContact CE1-OE1 3.18Å; Y167-E184 PolarHBondContact OH-OE1 3.17Å; Y167-T188 HydrophobicContact CD1-CG2 3.94Å; Y167-T188 HydrophobicContact CE1-CG2 4.47Å; Y167-T188 WeakPolarHBondContact CE1-OG1 3.44Å
168I97.8Very high98.1Very high0 Ų038.6 Ų38.60%019%0.186CC..Hα-helixtrans-66.5-35.8-173.9-67.1-61.4000112.4T164 R165 K170 W171 I172 E184 L185T164-I168 HydrophobicContact CG2-CG1 4.24Å; T164-I168 WeakPolarHBondContact O-CB 3.46Å; T164-I168 VanDerWaalsContact O-CG1 3.32Å; T164-I168 WeakPolarHBondContact O-CG1 3.18Å; T164-I168 PolarHBondContact O-N 3.14Å; R165-I168 PolarHBondContact O-N 3.17Å; I168-K170 PolarHBondContact O-N 3.23Å; I168-W171 PolarHBondContact O-N 3.23Å; I168-W171 VanDerWaalsContact O-N 3.08Å; I168-I172 HydrophobicContact CG2-CD1 3.21Å; I168-I172 HydrophobicContact CG2-CG1 3.65Å; I168-I172 VanDerWaalsContact O-CG1 3.27Å; I168-I172 WeakPolarHBondContact O-CG1 3.36Å; I168-I172 PolarHBondContact O-N 3.16Å; I168-E184 HydrophobicContact CD1-CG 3.99Å; I168-L185 HydrophobicContact CB-CD1 4.42Å; I168-L185 HydrophobicContact CD1-CB 3.98Å; I168-L185 HydrophobicContact CG1-CB 3.91Å; I168-L185 HydrophobicContact CG1-CD1 4.22Å; I168-L185 HydrophobicContact CG1-CG 3.97Å; I168-L185 HydrophobicContact CG2-CB 4.5Å; I168-L185 HydrophobicContact CG2-CD1 4.02Å
169K97.1Very high98.1Very high60 Ų6039.6 Ų39.626%0.26119%0.191SC..Hα-helixtrans-56.3-34171.4-79.4175.5176.71770113.4R165 Y167 F250 D462R165-K169 WeakPolarHBondContact O-CB 3.29Å; R165-K169 VanDerWaalsContact O-CG 3.26Å; R165-K169 WeakPolarHBondContact O-CG 3.18Å; R165-K169 PolarHBondContact O-N 3.14Å; Y167-K169 PolarHBondContact O-N 3.33Å; K169-F250 HydrophobicContact CD-CD2 4.45Å; K169-F250 HydrophobicContact CD-CE2 4.1Å; K169-F250 HydrophobicContact CD-CZ 4.28Å; K169-F250 HydrophobicContact CG-CD2 4.37Å; K169-F250 HydrophobicContact CG-CE2 3.57Å; K169-F250 HydrophobicContact CG-CZ 3.65Å; K169-D462 IonicContact NZ-OD2 3.4Å; K169-D462 PolarHBondContact NZ-OD2 2.98Å
170K96.5Very high98.1Very high154 Ų15441 Ų4167%0.6720%0.199SC*.Hα-helixtrans-81.5-30.5177.1-61.8167.5-171.4170.30112.1N166 Y167 I168N166-K170 PolarHBondContact ND2-NZ 2.92Å; N166-K170 WeakPolarHBondContact O-CD 3.31Å; N166-K170 WeakPolarHBondContact O-CG 3.31Å; N166-K170 VanDerWaalsContact OD1-CE 3.31Å; N166-K170 WeakPolarHBondContact OD1-CE 3.43Å; N166-K170 PolarHBondContact OD1-NZ 3.26Å; Y167-K170 WeakPolarHBondContact O-CB 3.35Å; Y167-K170 PolarHBondContact O-N 3.2Å; I168-K170 PolarHBondContact O-N 3.23Å
171W96.8Very high98.1Very high63 Ų6341 Ų4124%0.23920%0.199CC..Hα-helixtrans-80.6-36.9-176.9-171.995.5000112.2Y167 I168 R173 I176 M181 E184Y167-W171 HydrophobicContact CE2-CB 4.48Å; Y167-W171 AromaticContact CZ-CD1 3.84Å; Y167-W171 PolarHBondContact O-N 3.47Å; I168-W171 PolarHBondContact O-N 3.23Å; I168-W171 VanDerWaalsContact O-N 3.08Å; W171-R173 VanDerWaalsContact CE3-NH1 3.26Å; W171-R173 VanDerWaalsContact CZ2-NH1 3.28Å; W171-R173 WeakPolarHBondContact O-CD 3.32Å; W171-R173 PolarHBondContact O-NH1 2.89Å; W171-I176 HydrophobicContact CE3-CD1 4.34Å; W171-I176 HydrophobicContact CZ3-CD1 3.68Å; W171-M181 HydrophobicContact CZ3-CB 4.43Å; W171-E184 HydrophobicContact CD2-CG 4.03Å; W171-E184 HydrophobicContact CE3-CG 4.35Å; W171-E184 HydrophobicContact CH2-CB 4.11Å; W171-E184 HydrophobicContact CH2-CG 4.31Å; W171-E184 HydrophobicContact CZ2-CB 4.19Å; W171-E184 HydrophobicContact CZ2-CG 3.98Å; W171-E184 HydrophobicContact CZ3-CB 4.33Å; W171-E184 HydrophobicContact CZ3-CG 4.47Å
172I97.5Very high98Very high8 Ų841 Ų414%0.04120%0.199CC..  trans-70.2135.9-176.5-62.3165.9000111.2I168 I176 M181 L227 I235 L252 F254I168-I172 HydrophobicContact CG2-CD1 3.21Å; I168-I172 HydrophobicContact CG2-CG1 3.65Å; I168-I172 VanDerWaalsContact O-CG1 3.27Å; I168-I172 WeakPolarHBondContact O-CG1 3.36Å; I168-I172 PolarHBondContact O-N 3.16Å; I172-I176 HydrophobicContact CB-CD1 4.28Å; I172-I176 HydrophobicContact CG1-CD1 4.24Å; I172-I176 HydrophobicContact CG2-CD1 3.7Å; I172-M181 HydrophobicContact CD1-CG 3.81Å; I172-M181 HydrophobicContact CD1-SD 3.43Å; I172-M181 WeakPolarHBondContact CD1-SD 3.49Å; I172-M181 HydrophobicContact CG1-CG 3.81Å; I172-M181 HydrophobicContact CG1-SD 3.77Å; I172-M181 HydrophobicContact CG2-SD 4.02Å; I172-L227 HydrophobicContact CG2-CD2 3.33Å; I172-I235 HydrophobicContact CD1-CD1 4.25Å; I172-I235 HydrophobicContact CD1-CG1 4.41Å; I172-L252 HydrophobicContact CB-CD2 3.89Å; I172-L252 HydrophobicContact CD1-CD2 3.92Å; I172-L252 HydrophobicContact CG2-CD2 3.33Å; I172-F254 HydrophobicContact CG2-CZ 4.07Å
173R97.5Very high98Very high115 Ų11543.9 Ų43.943%0.43421%0.214SC..  trans-147.8153.617558.1-78.6-174.3-144.8-3.8109.7W171 I176W171-R173 VanDerWaalsContact CE3-NH1 3.26Å; W171-R173 VanDerWaalsContact CZ2-NH1 3.28Å; W171-R173 WeakPolarHBondContact O-CD 3.32Å; W171-R173 PolarHBondContact O-NH1 2.89Å; R173-I176 HydrophobicContact CG-CG2 4.14Å; R173-I176 WeakPolarHBondContact O-CG1 3.46Å
174P98.3Very high98Very high51 Ų5144.2 Ų44.233%0.33122%0.215SC..THydrogen-bonded Turntrans-54.9145.1170.9-2435.4000111.3L227 Y229 F254P174-L227 CarbonylContact C-O 3.24Å; P174-L227 WeakPolarHBondContact CA-O 3.29Å; P174-Y229 HydrophobicContact CG-CD2 4.41Å; P174-F254 HydrophobicContact CG-CB 4.37Å; P174-F254 HydrophobicContact CG-CD1 4.15Å; P174-F254 HydrophobicContact CG-CD2 3.53Å; P174-F254 HydrophobicContact CG-CE1 4.34Å; P174-F254 HydrophobicContact CG-CE2 3.74Å; P174-F254 HydrophobicContact CG-CG 3.74Å; P174-F254 HydrophobicContact CG-CZ 4.14Å
175G98.3Very high98Very high57 Ų5744.3 Ų44.359%0.58822%0.216SC*.THydrogen-bonded Turntrans97.4-9.6-178.400000114.9L227G175-L227 PolarHBondContact N-O 2.93Å
176I98.1Very high98Very high14 Ų1444.4 Ų44.47%0.07222%0.216CC..  trans-78.6148.9171.570.5175.9000111.1W171 I172 R173 M181 V226 L227W171-I176 HydrophobicContact CE3-CD1 4.34Å; W171-I176 HydrophobicContact CZ3-CD1 3.68Å; I172-I176 HydrophobicContact CB-CD1 4.28Å; I172-I176 HydrophobicContact CG1-CD1 4.24Å; I172-I176 HydrophobicContact CG2-CD1 3.7Å; R173-I176 HydrophobicContact CG-CG2 4.14Å; R173-I176 WeakPolarHBondContact O-CG1 3.46Å; I176-M181 HydrophobicContact CD1-CB 3.71Å; I176-M181 HydrophobicContact CD1-CG 3.99Å; I176-M181 HydrophobicContact CD1-SD 4.13Å; I176-V226 WeakPolarHBondContact O-CA 3.39Å; I176-L227 HydrophobicContact CD1-CD2 4.49Å; I176-L227 HydrophobicContact CG1-CB 4.19Å; I176-L227 HydrophobicContact CG1-CD2 4.37Å; I176-L227 PolarHBondContact O-N 3.27Å
177R98.4Very high98Very high97 Ų9745.5 Ų45.537%0.36621%0.214SC..BIsolated β-bridgetrans-75.2142.9168.4-54.9-178-62.6159.52.6109.4I179 D180 M181 T225 V226R177-I179 HydrophobicContact CB-CG2 3.97Å; R177-I179 PolarHBondContact O-N 3.45Å; R177-D180 WeakPolarHBondContact CB-OD2 3.36Å; R177-D180 IonicContact CZ-OD1 2.75Å; R177-D180 IonicContact CZ-OD2 3.88Å; R177-D180 IonicContact NE-OD1 3.16Å; R177-D180 IonicContact NE-OD2 3.2Å; R177-D180 PolarHBondContact NE-OD2 3.4Å; R177-D180 IonicContact NH2-OD1 3.39Å; R177-D180 PolarHBondContact NH2-OD1 3.16Å; R177-D180 IonicContact NH2-OD2 3.79Å; R177-D180 PolarHBondContact NH2-OD2 3.15Å; R177-D180 PolarHBondContact O-N 3.18Å; R177-D180 VanDerWaalsContact O-N 3.14Å; R177-M181 PolarHBondContact O-N 3.12Å; R177-M181 VanDerWaalsContact O-N 3.13Å; R177-T225 WeakPolarHBondContact CA-O 3.44Å; R177-V226 HydrophobicContact CG-CG2 4.23Å
178L98.4Very high98.1Very high0 Ų044.1 Ų44.10%021%0.209CC..Hα-helixtrans-61.6-30.9178-61.9-176000111.8M181 C182 I210 Y217 P219 T225 L227L178-M181 HydrophobicContact CD2-CE 3.88Å; L178-M181 WeakPolarHBondContact O-CB 3.45Å; L178-M181 PolarHBondContact O-N 2.96Å; L178-C182 PolarHBondContact O-N 2.88Å; L178-C182 PolarHBondContact O-SG 2.95Å; L178-C182 VanDerWaalsContact O-SG 3.36Å; L178-I210 HydrophobicContact CD1-CD1 4.46Å; L178-I210 HydrophobicContact CD1-CG2 4.21Å; L178-Y217 HydrophobicContact CD1-CE1 3.64Å; L178-P219 HydrophobicContact CB-CG 4.27Å; L178-T225 HydrophobicContact CD1-CG2 3.55Å; L178-T225 HydrophobicContact CG-CG2 4.15Å; L178-T225 PolarHBondContact N-O 3.38Å; L178-L227 HydrophobicContact CD2-CB 3.88Å; L178-L227 HydrophobicContact CD2-CD1 4.24Å
179I98.3Very high98.1Very high20 Ų2044.1 Ų44.110%0.10321%0.209CC..Hα-helixtrans-64.4-44175.5-165.2164.5000112.1R177 M181 C182 E183 P219R177-I179 HydrophobicContact CB-CG2 3.97Å; R177-I179 PolarHBondContact O-N 3.45Å; I179-M181 VanDerWaalsContact C-N 3.27Å; I179-M181 PolarHBondContact O-N 3.23Å; I179-C182 PolarHBondContact O-N 3.18Å; I179-E183 WeakPolarHBondContact O-CB 3.45Å; I179-E183 WeakPolarHBondContact O-CG 3.37Å; I179-E183 PolarHBondContact O-N 3.31Å; I179-P219 HydrophobicContact CB-CB 4.18Å; I179-P219 HydrophobicContact CB-CG 4Å; I179-P219 HydrophobicContact CG1-CG 4.41Å
180D98.1Very high98.2Very high51 Ų5142.3 Ų42.327%0.27320%0.2SC..Hα-helixtrans-64.6-36.8178.1-60.2-36.2000110.7R177 E184R177-D180 WeakPolarHBondContact CB-OD2 3.36Å; R177-D180 IonicContact CZ-OD1 2.75Å; R177-D180 IonicContact CZ-OD2 3.88Å; R177-D180 IonicContact NE-OD1 3.16Å; R177-D180 IonicContact NE-OD2 3.2Å; R177-D180 PolarHBondContact NE-OD2 3.4Å; R177-D180 IonicContact NH2-OD1 3.39Å; R177-D180 PolarHBondContact NH2-OD1 3.16Å; R177-D180 IonicContact NH2-OD2 3.79Å; R177-D180 PolarHBondContact NH2-OD2 3.15Å; R177-D180 PolarHBondContact O-N 3.18Å; R177-D180 VanDerWaalsContact O-N 3.14Å; D180-E184 WeakPolarHBondContact O-CB 3.33Å; D180-E184 PolarHBondContact O-N 3.23Å
181M98.3Very high98.3Very high1 Ų135.8 Ų35.81%0.00518%0.176CC..Hα-helixtrans-63.2-50.8174.9-175.8-179.874.400112.4W171 I172 I176 R177 L178 I179 E184 L185 C208 I235W171-M181 HydrophobicContact CZ3-CB 4.43Å; I172-M181 HydrophobicContact CD1-CG 3.81Å; I172-M181 HydrophobicContact CD1-SD 3.43Å; I172-M181 WeakPolarHBondContact CD1-SD 3.49Å; I172-M181 HydrophobicContact CG1-CG 3.81Å; I172-M181 HydrophobicContact CG1-SD 3.77Å; I172-M181 HydrophobicContact CG2-SD 4.02Å; I176-M181 HydrophobicContact CD1-CB 3.71Å; I176-M181 HydrophobicContact CD1-CG 3.99Å; I176-M181 HydrophobicContact CD1-SD 4.13Å; R177-M181 PolarHBondContact O-N 3.12Å; R177-M181 VanDerWaalsContact O-N 3.13Å; L178-M181 HydrophobicContact CD2-CE 3.88Å; L178-M181 WeakPolarHBondContact O-CB 3.45Å; L178-M181 PolarHBondContact O-N 2.96Å; I179-M181 VanDerWaalsContact C-N 3.27Å; I179-M181 PolarHBondContact O-N 3.23Å; M181-E184 PolarHBondContact O-N 3.13Å; M181-L185 WeakPolarHBondContact O-CB 3.43Å; M181-L185 PolarHBondContact O-N 3.34Å; M181-C208 HydrophobicContact CE-CB 3.3Å; M181-I235 HydrophobicContact CE-CD1 3.51Å; M181-I235 HydrophobicContact SD-CD1 3.86Å
182C98.7Very high98.4Very high0 Ų032.8 Ų32.80%016%0.164CC..Hα-helixtrans-62.4-44.2178-68.40000110.9L178 I179 E184 L185 E186L178-C182 PolarHBondContact O-N 2.88Å; L178-C182 PolarHBondContact O-SG 2.95Å; L178-C182 VanDerWaalsContact O-SG 3.36Å; I179-C182 PolarHBondContact O-N 3.18Å; C182-E184 PolarHBondContact O-N 3.46Å; C182-L185 PolarHBondContact O-N 3.25Å; C182-E186 VanDerWaalsContact O-CB 3.29Å; C182-E186 WeakPolarHBondContact O-CB 3.39Å; C182-E186 WeakPolarHBondContact O-CG 3.38Å; C182-E186 PolarHBondContact O-N 3.03Å
183E98.3Very high98.4Very high93 Ų9332.4 Ų32.444%0.43516%0.162SC..Hα-helixtrans-61.9-41.9178.9-73.9-177.5170.300112.4I179 R187I179-E183 WeakPolarHBondContact O-CB 3.45Å; I179-E183 WeakPolarHBondContact O-CG 3.37Å; I179-E183 PolarHBondContact O-N 3.31Å; E183-R187 WeakPolarHBondContact O-CB 3.34Å; E183-R187 PolarHBondContact O-N 3.28Å
184E98.4Very high98.5Very high32 Ų3227 Ų2715%0.1514%0.142CC..Hα-helixtrans-69.2-41.4178179.960.3-174.600112.8Y167 I168 W171 D180 M181 C182 R187 T188Y167-E184 HydrophobicContact CE1-CG 4.18Å; Y167-E184 VanDerWaalsContact CE1-OE1 3.29Å; Y167-E184 WeakPolarHBondContact CE1-OE1 3.18Å; Y167-E184 PolarHBondContact OH-OE1 3.17Å; I168-E184 HydrophobicContact CD1-CG 3.99Å; W171-E184 HydrophobicContact CD2-CG 4.03Å; W171-E184 HydrophobicContact CE3-CG 4.35Å; W171-E184 HydrophobicContact CH2-CB 4.11Å; W171-E184 HydrophobicContact CH2-CG 4.31Å; W171-E184 HydrophobicContact CZ2-CB 4.19Å; W171-E184 HydrophobicContact CZ2-CG 3.98Å; W171-E184 HydrophobicContact CZ3-CB 4.33Å; W171-E184 HydrophobicContact CZ3-CG 4.47Å; D180-E184 WeakPolarHBondContact O-CB 3.33Å; D180-E184 PolarHBondContact O-N 3.23Å; M181-E184 PolarHBondContact O-N 3.13Å; C182-E184 PolarHBondContact O-N 3.46Å; E184-R187 VanDerWaalsContact CD-NH2 3.25Å; E184-R187 IonicContact OE1-CZ 3.68Å; E184-R187 IonicContact OE1-NE 2.83Å; E184-R187 IonicContact OE1-NH2 3.23Å; E184-R187 PolarHBondContact OE1-NH2 3.36Å; E184-R187 IonicContact OE2-CZ 3.17Å; E184-R187 IonicContact OE2-NE 2.63Å; E184-R187 PolarHBondContact OE2-NE 2.9Å; E184-R187 IonicContact OE2-NH2 2.95Å; E184-R187 PolarHBondContact OE2-NH2 2.95Å; E184-R187 VanDerWaalsContact OE2-NH2 3.12Å; E184-T188 WeakPolarHBondContact O-CB 3.36Å; E184-T188 PolarHBondContact O-N 3.23Å; E184-T188 PolarHBondContact O-OG1 3Å
185L98.7Very high98.5Very high2 Ų228.7 Ų28.71%0.0115%0.145CC..Hα-helixtrans-60.2-51.6173.8-176.3153.3000110.6T164 I168 M181 C182 R187 T188 S189 T206 I235 F237T164-L185 HydrophobicContact CG2-CD2 4.25Å; T164-L185 HydrophobicContact CG2-CG 3.92Å; I168-L185 HydrophobicContact CB-CD1 4.42Å; I168-L185 HydrophobicContact CD1-CB 3.98Å; I168-L185 HydrophobicContact CG1-CB 3.91Å; I168-L185 HydrophobicContact CG1-CD1 4.22Å; I168-L185 HydrophobicContact CG1-CG 3.97Å; I168-L185 HydrophobicContact CG2-CB 4.5Å; I168-L185 HydrophobicContact CG2-CD1 4.02Å; M181-L185 WeakPolarHBondContact O-CB 3.43Å; M181-L185 PolarHBondContact O-N 3.34Å; C182-L185 PolarHBondContact O-N 3.25Å; L185-R187 PolarHBondContact O-N 3.28Å; L185-T188 PolarHBondContact O-N 3.28Å; L185-S189 WeakPolarHBondContact O-CB 3.41Å; L185-S189 PolarHBondContact O-N 2.88Å; L185-T206 HydrophobicContact CD1-CG2 3.91Å; L185-T206 HydrophobicContact CD2-CG2 3.98Å; L185-T206 WeakPolarHBondContact CD2-OG1 3.33Å; L185-T206 HydrophobicContact CG-CG2 4.38Å; L185-I235 HydrophobicContact CD1-CG2 3.73Å; L185-F237 HydrophobicContact CD1-CD1 3.89Å; L185-F237 HydrophobicContact CD1-CE1 4.17Å; L185-F237 HydrophobicContact CD1-CG 4.21Å; L185-F237 HydrophobicContact CD2-CB 3.92Å; L185-F237 HydrophobicContact CD2-CD1 4.21Å; L185-F237 HydrophobicContact CD2-CD2 3.77Å; L185-F237 HydrophobicContact CD2-CE2 4.32Å; L185-F237 HydrophobicContact CD2-CG 3.69Å
186E98.8Very high98.4Very high3 Ų327.6 Ų27.61%0.01412%0.124CC..Hα-helixtrans-68.6-35.9-176.3-66.1172.7-166.200111.8C182 T188 S189 R190 L202 T206 R403 W404C182-E186 VanDerWaalsContact O-CB 3.29Å; C182-E186 WeakPolarHBondContact O-CB 3.39Å; C182-E186 WeakPolarHBondContact O-CG 3.38Å; C182-E186 PolarHBondContact O-N 3.03Å; E186-T188 VanDerWaalsContact C-N 3.34Å; E186-S189 PolarHBondContact O-N 2.83Å; E186-R190 WeakPolarHBondContact O-CB 3.47Å; E186-R190 VanDerWaalsContact O-CG 3.23Å; E186-R190 WeakPolarHBondContact O-CG 3.41Å; E186-R190 PolarHBondContact O-N 3.38Å; E186-R190 IonicContact OE2-CZ 3.73Å; E186-R190 IonicContact OE2-NH1 2.66Å; E186-R190 PolarHBondContact OE2-NH1 2.85Å; E186-R190 IonicContact OE2-NH2 2.91Å; E186-R190 PolarHBondContact OE2-NH2 3.07Å; E186-L202 HydrophobicContact CB-CD1 3.85Å; E186-L202 HydrophobicContact CG-CD1 3.89Å; E186-T206 VanDerWaalsContact CG-OG1 3.25Å; E186-T206 WeakPolarHBondContact CG-OG1 3.42Å; E186-R403 IonicContact OE1-CZ 3.12Å; E186-R403 VanDerWaalsContact OE1-CZ 3.28Å; E186-R403 IonicContact OE1-NH1 2.82Å; E186-R403 PolarHBondContact OE1-NH1 2.87Å; E186-R403 IonicContact OE1-NH2 3.93Å; E186-R403 PolarHBondContact OE1-NH2 3.2Å; E186-R403 IonicContact OE2-NH1 2.72Å; E186-R403 PolarHBondContact OE2-NH1 3.24Å; E186-W404 PolarHBondContact OE1-NE1 3.23Å; E186-W404 VanDerWaalsContact OE1-NE1 3.12Å; E186-W404 PolarHBondContact OE2-NE1 3.18Å
187R98.5Very high98.4Very high105 Ų10529.5 Ų29.540%0.39615%0.147SC..Hα-helixtrans-60-46173-175.9-164.566.367.72.1110.7E183 E184 L185 A191E183-R187 WeakPolarHBondContact O-CB 3.34Å; E183-R187 PolarHBondContact O-N 3.28Å; E184-R187 VanDerWaalsContact CD-NH2 3.25Å; E184-R187 IonicContact OE1-CZ 3.68Å; E184-R187 IonicContact OE1-NE 2.83Å; E184-R187 IonicContact OE1-NH2 3.23Å; E184-R187 PolarHBondContact OE1-NH2 3.36Å; E184-R187 IonicContact OE2-CZ 3.17Å; E184-R187 IonicContact OE2-NE 2.63Å; E184-R187 PolarHBondContact OE2-NE 2.9Å; E184-R187 IonicContact OE2-NH2 2.95Å; E184-R187 PolarHBondContact OE2-NH2 2.95Å; E184-R187 VanDerWaalsContact OE2-NH2 3.12Å; L185-R187 PolarHBondContact O-N 3.28Å; R187-A191 PolarHBondContact O-N 3.29Å; R187-A191 VanDerWaalsContact O-N 3.14Å
188T98.6Very high98.4Very high0 Ų027.2 Ų27.20%014%0.141CC..Hα-helixtrans-62.8-50177.7-57.70000110.8P101 T164 Y167 E184 L185 E186 R190 A191 L192P101-T188 HydrophobicContact CG-CG2 3.77Å; T164-T188 HydrophobicContact CG2-CG2 4.32Å; Y167-T188 HydrophobicContact CD1-CG2 3.94Å; Y167-T188 HydrophobicContact CE1-CG2 4.47Å; Y167-T188 WeakPolarHBondContact CE1-OG1 3.44Å; E184-T188 WeakPolarHBondContact O-CB 3.36Å; E184-T188 PolarHBondContact O-N 3.23Å; E184-T188 PolarHBondContact O-OG1 3Å; L185-T188 PolarHBondContact O-N 3.28Å; E186-T188 VanDerWaalsContact C-N 3.34Å; T188-R190 PolarHBondContact O-N 3.38Å; T188-A191 PolarHBondContact O-N 3.42Å; T188-L192 HydrophobicContact CG2-CD1 3.97Å; T188-L192 HydrophobicContact CG2-CG 4.3Å; T188-L192 WeakPolarHBondContact O-CG 3.36Å; T188-L192 PolarHBondContact O-N 3.38Å
189S98.7Very high98.4Very high0 Ų030.5 Ų30.50%016%0.159CC..Hα-helixtrans-60-44.7-179.6-171.70000112.2L185 E186 A191 L192 I193 L202 V239L185-S189 WeakPolarHBondContact O-CB 3.41Å; L185-S189 PolarHBondContact O-N 2.88Å; E186-S189 PolarHBondContact O-N 2.83Å; S189-A191 PolarHBondContact O-N 3.45Å; S189-L192 PolarHBondContact O-N 3.5Å; S189-I193 WeakPolarHBondContact O-CB 3.34Å; S189-I193 VanDerWaalsContact O-CG2 3.25Å; S189-I193 WeakPolarHBondContact O-CG2 3.46Å; S189-I193 PolarHBondContact O-N 3.06Å; S189-L202 WeakPolarHBondContact OG-CD2 3.5Å; S189-V239 WeakPolarHBondContact OG-CG2 3.36Å
190R98.8Very high98.4Very high22 Ų2229.6 Ų29.68%0.08315%0.154CC..Hα-helixtrans-59-41.4174.8-74.9179.4-174.8102.85.6113.2E186 T188 L194 E195 L202E186-R190 WeakPolarHBondContact O-CB 3.47Å; E186-R190 VanDerWaalsContact O-CG 3.23Å; E186-R190 WeakPolarHBondContact O-CG 3.41Å; E186-R190 PolarHBondContact O-N 3.38Å; E186-R190 IonicContact OE2-CZ 3.73Å; E186-R190 IonicContact OE2-NH1 2.66Å; E186-R190 PolarHBondContact OE2-NH1 2.85Å; E186-R190 IonicContact OE2-NH2 2.91Å; E186-R190 PolarHBondContact OE2-NH2 3.07Å; T188-R190 PolarHBondContact O-N 3.38Å; R190-L194 WeakPolarHBondContact O-CA 3.4Å; R190-L194 PolarHBondContact O-N 3.34Å; R190-L194 VanDerWaalsContact O-N 3.14Å; R190-E195 HydrophobicContact CB-CB 4.25Å; R190-E195 VanDerWaalsContact CD-OE2 3.24Å; R190-E195 WeakPolarHBondContact CD-OE2 3.43Å; R190-E195 HydrophobicContact CG-CB 4.31Å; R190-E195 IonicContact NE-OE1 3.85Å; R190-E195 PolarHBondContact NE-OE1 3.46Å; R190-E195 IonicContact NE-OE2 3.31Å; R190-E195 PolarHBondContact O-N 3.06Å; R190-L202 HydrophobicContact CG-CD1 4.13Å; R190-L202 HydrophobicContact CG-CD2 4.24Å; R190-L202 HydrophobicContact CG-CG 4.09Å
191A98.5Very high98.4Very high18 Ų1827.2 Ų27.215%0.14914%0.142CC..Hα-helixtrans-67-43.6177.700000111.5R187 T188 S189 L194R187-A191 PolarHBondContact O-N 3.29Å; R187-A191 VanDerWaalsContact O-N 3.14Å; T188-A191 PolarHBondContact O-N 3.42Å; S189-A191 PolarHBondContact O-N 3.45Å; A191-L194 PolarHBondContact O-N 2.9Å
192L98.7Very high98.4Very high0 Ų027.9 Ų27.90%015%0.145CC..Hα-helixtrans-73.5-34.4-176.8-66.6-172.3000113.7Q97 P101 I103 P104 V105 V160 Q163 T188 S189 L194Q97-L192 VanDerWaalsContact NE2-CD2 3.33Å; P101-L192 HydrophobicContact CB-CD1 4.06Å; P101-L192 HydrophobicContact CB-CD2 4.07Å; P101-L192 HydrophobicContact CG-CD1 4.31Å; I103-L192 WeakPolarHBondContact O-CD2 3.46Å; P104-L192 CarbonylContact C-O 3.58Å; P104-L192 WeakPolarHBondContact CA-O 3.47Å; V105-L192 PolarHBondContact N-O 2.92Å; V160-L192 HydrophobicContact CB-CB 4.47Å; V160-L192 HydrophobicContact CG1-CB 3.8Å; V160-L192 HydrophobicContact CG2-CB 4.17Å; Q163-L192 HydrophobicContact CB-CD1 3.74Å; T188-L192 HydrophobicContact CG2-CD1 3.97Å; T188-L192 HydrophobicContact CG2-CG 4.3Å; T188-L192 WeakPolarHBondContact O-CG 3.36Å; T188-L192 PolarHBondContact O-N 3.38Å; S189-L192 PolarHBondContact O-N 3.5Å; L192-L194 VanDerWaalsContact C-N 3.28Å
193I98.7Very high98.4Very high0 Ų027.9 Ų27.90%015%0.145CC..Hα-helixtrans-79.4-14173.4-160.956.4000112.9E156 V160 S189 E195 R196 A200 V239 V241E156-I193 HydrophobicContact CG-CD1 4.38Å; V160-I193 HydrophobicContact CB-CD1 4.43Å; V160-I193 HydrophobicContact CG1-CB 4.18Å; V160-I193 HydrophobicContact CG2-CB 4.14Å; V160-I193 HydrophobicContact CG2-CD1 3.79Å; S189-I193 WeakPolarHBondContact O-CB 3.34Å; S189-I193 VanDerWaalsContact O-CG2 3.25Å; S189-I193 WeakPolarHBondContact O-CG2 3.46Å; S189-I193 PolarHBondContact O-N 3.06Å; I193-E195 HydrophobicContact CG2-CB 4.42Å; I193-R196 PolarHBondContact O-NH1 3.07Å; I193-A200 HydrophobicContact CG1-CB 4.11Å; I193-V239 HydrophobicContact CB-CG1 4.04Å; I193-V239 HydrophobicContact CD1-CG1 3.49Å; I193-V239 VanDerWaalsContact CD1-CG1 3.49Å; I193-V239 HydrophobicContact CG1-CG1 3.6Å; I193-V241 HydrophobicContact CD1-CG2 3.64Å
194L98.4Very high98.5Very high2 Ų224.3 Ų24.31%0.0113%0.129CC..THydrogen-bonded Turntrans5373.4-168.3-177.870000109.5L15 V18 C19 M22 P104 R190 A191 L192 R196L15-L194 HydrophobicContact CD2-CD1 3.62Å; V18-L194 HydrophobicContact CG1-CD2 4.04Å; C19-L194 WeakPolarHBondContact SG-CD1 3.26Å; M22-L194 HydrophobicContact SD-CD2 3.67Å; P104-L194 HydrophobicContact CB-CB 3.93Å; P104-L194 HydrophobicContact CG-CB 4.07Å; P104-L194 HydrophobicContact CG-CD1 4.13Å; R190-L194 WeakPolarHBondContact O-CA 3.4Å; R190-L194 PolarHBondContact O-N 3.34Å; R190-L194 VanDerWaalsContact O-N 3.14Å; A191-L194 PolarHBondContact O-N 2.9Å; L192-L194 VanDerWaalsContact C-N 3.28Å; L194-R196 WeakPolarHBondContact O-CG 3.45Å; L194-R196 PolarHBondContact O-N 2.91Å; L194-R196 PolarHBondContact O-NH1 2.9Å
195E98.4Very high98.5Very high86 Ų8622.8 Ų22.840%0.40212%0.122SC..  trans-50.8125.4-176.3-171.1178.3-122.800112.2R190 I193 A200R190-E195 HydrophobicContact CB-CB 4.25Å; R190-E195 VanDerWaalsContact CD-OE2 3.24Å; R190-E195 WeakPolarHBondContact CD-OE2 3.43Å; R190-E195 HydrophobicContact CG-CB 4.31Å; R190-E195 IonicContact NE-OE1 3.85Å; R190-E195 PolarHBondContact NE-OE1 3.46Å; R190-E195 IonicContact NE-OE2 3.31Å; R190-E195 PolarHBondContact O-N 3.06Å; I193-E195 HydrophobicContact CG2-CB 4.42Å; E195-A200 CarbonylContact C-O 3.52Å; E195-A200 WeakPolarHBondContact CA-O 3.21Å
196R97.6Very high98.5Very high34 Ų3422.9 Ų22.913%0.12812%0.122CC..BIsolated β-bridgetrans-140.569.1-175.3-72.1-179.5-47.1-80.68.4110.8C19 I193 L194 L198 N199 A200C19-R196 HydrophobicContact CB-CG 4.16Å; I193-R196 PolarHBondContact O-NH1 3.07Å; L194-R196 WeakPolarHBondContact O-CG 3.45Å; L194-R196 PolarHBondContact O-N 2.91Å; L194-R196 PolarHBondContact O-NH1 2.9Å; R196-L198 PolarHBondContact O-N 2.88Å; R196-N199 HydrophobicContact CB-CB 4.47Å; R196-N199 WeakPolarHBondContact O-CB 3.42Å; R196-N199 PolarHBondContact O-N 2.63Å; R196-A200 PolarHBondContact N-O 2.91Å
197G96.9Very high98.5Very high54 Ų5422.9 Ų22.956%0.55712%0.123SC*.THydrogen-bonded Turntrans53.8-131.5-177.700000111.7N199G197-N199 VanDerWaalsContact C-N 3.31Å; G197-N199 PolarHBondContact O-N 3.45Å
198L98Very high98.5Very high48 Ų4817.9 Ų17.925%0.25110%0.104SC..THydrogen-bonded Turntrans-78.7-10.1177.8-63.5175.1000113.8R196 H240 Y321R196-L198 PolarHBondContact O-N 2.88Å; L198-H240 PolarHBondContact O-CE1 3.29Å; L198-H240 VanDerWaalsContact O-CE1 3.23Å; L198-Y321 HydrophobicContact CB-CE1 4.27Å; L198-Y321 VanDerWaalsContact O-CE1 3.27Å; L198-Y321 WeakPolarHBondContact O-CE1 3Å; L198-Y321 PolarHBondContact O-OH 2.83Å
199N98.3Very high98.5Very high70 Ų7018 Ų1837%0.37411%0.105SC..THydrogen-bonded Turntrans-75.5-33.5-177.7-64.9-28.7000112.1R196 G197 V241 N242R196-N199 HydrophobicContact CB-CB 4.47Å; R196-N199 WeakPolarHBondContact O-CB 3.42Å; R196-N199 PolarHBondContact O-N 2.63Å; G197-N199 VanDerWaalsContact C-N 3.31Å; G197-N199 PolarHBondContact O-N 3.45Å; N199-V241 CarbonylContact O-C 3.6Å; N199-N242 PolarHBondContact O-N 3.44Å; N199-N242 PolarHBondContact O-OD1 3.48Å
200A98.6Very high98.5Very high0 Ų019.5 Ų19.50%011%0.113CC..EExtended strand (participates in β ladder)trans-158.2133.6179.100000109.5I193 E195 R196 H240I193-A200 HydrophobicContact CG1-CB 4.11Å; E195-A200 CarbonylContact C-O 3.52Å; E195-A200 WeakPolarHBondContact CA-O 3.21Å; R196-A200 PolarHBondContact N-O 2.91Å; A200-H240 WeakPolarHBondContact CA-O 3.14Å
201G98.7Very high98.5Very high2 Ų219.9 Ų19.92%0.02112%0.117CC..EExtended strand (participates in β ladder)trans173.5-163.3-173.800000114H240G201-H240 PolarHBondContact N-O 3.18Å; G201-H240 VanDerWaalsContact N-O 3.14Å; G201-H240 PolarHBondContact O-CD2 2.71Å; G201-H240 PolarHBondContact O-N 2.94Å
202L98.8Very high98.5Very high14 Ų1421.2 Ų21.27%0.07312%0.119CC..EExtended strand (participates in β ladder)trans-82.2130.8175.6-50.7-174.9000109.7E186 S189 R190 G238 W404E186-L202 HydrophobicContact CB-CD1 3.85Å; E186-L202 HydrophobicContact CG-CD1 3.89Å; S189-L202 WeakPolarHBondContact OG-CD2 3.5Å; R190-L202 HydrophobicContact CG-CD1 4.13Å; R190-L202 HydrophobicContact CG-CD2 4.24Å; R190-L202 HydrophobicContact CG-CG 4.09Å; L202-G238 WeakPolarHBondContact CA-O 3.25Å; L202-W404 HydrophobicContact CB-CH2 3.62Å; L202-W404 HydrophobicContact CB-CZ2 3.97Å; L202-W404 HydrophobicContact CB-CZ3 4.49Å; L202-W404 HydrophobicContact CD1-CH2 4.15Å; L202-W404 HydrophobicContact CD1-CZ2 3.6Å; L202-W404 HydrophobicContact CG-CZ2 4.44Å
203A98.9Very high98.5Very high0 Ų021.6 Ų21.60%012%0.122CC..EExtended strand (participates in β ladder)trans-81.3-31.9-175.400000113.1G238 H240 I245 A399A203-G238 PolarHBondContact N-O 3.01Å; A203-H240 HydrophobicContact CB-CB 4.17Å; A203-I245 HydrophobicContact CB-CB 4.26Å; A203-I245 HydrophobicContact CB-CG1 3.96Å; A203-I245 HydrophobicContact CB-CG2 3.49Å; A203-I245 VanDerWaalsContact CB-CG2 3.49Å; A203-A399 PolarHBondContact O-N 3.01Å
204F98.9Very high98.5Very high19 Ų1921.6 Ų21.68%0.08312%0.122CC..EExtended strand (participates in β ladder)trans-160.6161.617953.8-97.5000109.9D236 F237 I245 D247 I323 A399 W404F204-D236 VanDerWaalsContact CE2-OD1 3.29Å; F204-D236 WeakPolarHBondContact CE2-OD1 3.35Å; F204-F237 VanDerWaalsContact CE2-CA 3.44Å; F204-I245 HydrophobicContact CD1-CG2 4.47Å; F204-I245 HydrophobicContact CE1-CG2 4.21Å; F204-D247 HydrophobicContact CE1-CB 4.09Å; F204-D247 HydrophobicContact CZ-CB 4.34Å; F204-D247 WeakPolarHBondContact CZ-OD1 3.23Å; F204-I323 HydrophobicContact CD1-CD1 3.54Å; F204-I323 HydrophobicContact CD1-CG1 4.19Å; F204-I323 HydrophobicContact CE1-CD1 3.57Å; F204-I323 HydrophobicContact CE1-CG1 4.49Å; F204-A399 HydrophobicContact CB-CB 3.81Å; F204-W404 WeakPolarHBondContact O-CH2 3.36Å
205P98.8Very high98.5Very high0 Ų021.7 Ų21.70%012%0.123CC..EExtended strand (participates in β ladder)trans-62.8152-175.6-20.732.7000113.6G207 T218 C401 W404P205-G207 PolarHBondContact O-N 3.13Å; P205-T218 HydrophobicContact CB-CG2 4.12Å; P205-C401 HydrophobicContact CB-CB 3.74Å; P205-C401 HydrophobicContact CG-CB 3.59Å; P205-W404 VanDerWaalsContact CA-CZ2 3.49Å; P205-W404 HydrophobicContact CB-CH2 4.43Å; P205-W404 HydrophobicContact CB-CZ2 4.2Å; P205-W404 HydrophobicContact CG-CH2 4.25Å; P205-W404 HydrophobicContact CG-CZ2 4.43Å; P205-W404 HydrophobicContact CG-CZ3 4.31Å
206T98.9Very high98.5Very high3 Ų320.1 Ų20.12%0.01812%0.116CC..EExtended strand (participates in β ladder)trans-67.7101.4175.5-54.40000111L185 E186 T218 D236 F237L185-T206 HydrophobicContact CD1-CG2 3.91Å; L185-T206 HydrophobicContact CD2-CG2 3.98Å; L185-T206 WeakPolarHBondContact CD2-OG1 3.33Å; L185-T206 HydrophobicContact CG-CG2 4.38Å; E186-T206 VanDerWaalsContact CG-OG1 3.25Å; E186-T206 WeakPolarHBondContact CG-OG1 3.42Å; T206-T218 WeakPolarHBondContact O-CB 3.45Å; T206-T218 PolarHBondContact O-OG1 3.27Å; T206-D236 CarbonylContact C-O 3.58Å; T206-D236 WeakPolarHBondContact CA-O 3.35Å; T206-F237 HydrophobicContact CG2-CB 4.36Å
207G98.8Very high98.6Very high4 Ų420.2 Ų20.24%0.04112%0.116CC..EExtended strand (participates in β ladder)trans-62.7130.8164.900000110.5P205 Y217 K234 I235 D236P205-G207 PolarHBondContact O-N 3.13Å; G207-Y217 WeakPolarHBondContact CA-O 3.18Å; G207-K234 CarbonylContact C-O 3.53Å; G207-I235 WeakPolarHBondContact O-CA 3.12Å; G207-D236 WeakPolarHBondContact CA-O 3.36Å; G207-D236 PolarHBondContact N-O 2.74Å; G207-D236 PolarHBondContact O-N 3.36Å
208C98.7Very high98.7Very high0 Ų017.7 Ų17.70%09%0.09CC..EExtended strand (participates in β ladder)trans-138.139.4176.161.70000110.7M181 I210 Y217 P219 C233 K234 I235M181-C208 HydrophobicContact CE-CB 3.3Å; C208-I210 PolarHBondContact O-N 2.82Å; C208-Y217 PolarHBondContact N-O 2.98Å; C208-P219 WeakPolarHBondContact SG-CD 3.37Å; C208-C233 PolarHBondContact O-SG 2.8Å; C208-K234 CarbonylContact C-O 3.56Å; C208-K234 WeakPolarHBondContact CA-O 3.25Å; C208-I235 HydrophobicContact CB-CD1 4.34Å
209S98.8Very high98.7Very high2 Ų215.4 Ų15.41%0.0148%0.078CC..EExtended strand (participates in β ladder)trans-60.2130.3-173.4-49.40000111.1C213 A214 A215 Y217 C233 K234S209-C213 CarbonylContact C-O 3.52Å; S209-C213 WeakPolarHBondContact CB-O 3.29Å; S209-A214 WeakPolarHBondContact CB-O 3.45Å; S209-A215 VanDerWaalsContact OG-CA 3.3Å; S209-A215 WeakPolarHBondContact OG-CA 3.47Å; S209-A215 PolarHBondContact OG-O 2.72Å; S209-Y217 PolarHBondContact OG-N 3.12Å; S209-C233 WeakPolarHBondContact O-CA 3.44Å; S209-K234 PolarHBondContact N-O 2.81Å; S209-K234 WeakPolarHBondContact O-CE 3.43Å; S209-K234 PolarHBondContact O-N 2.78Å; S209-K234 PolarHBondContact O-NZ 2.69Å
210I98.4Very high98.7Very high31 Ų3112.4 Ų12.416%0.1596%0.062CC..EExtended strand (participates in β ladder)trans-109.1138.7-175.257.2173.6000112.7L178 C208 H212 C213 T225 V232 C233L178-I210 HydrophobicContact CD1-CD1 4.46Å; L178-I210 HydrophobicContact CD1-CG2 4.21Å; C208-I210 PolarHBondContact O-N 2.82Å; I210-H212 PolarHBondContact O-N 3.12Å; I210-C213 WeakPolarHBondContact O-CB 3.32Å; I210-C213 PolarHBondContact O-N 2.86Å; I210-C213 VanDerWaalsContact O-N 3.07Å; I210-T225 HydrophobicContact CD1-CG2 3.93Å; I210-V232 CarbonylContact C-O 3.58Å; I210-V232 WeakPolarHBondContact CA-O 3.38Å; I210-C233 HydrophobicContact CG2-CB 4.07Å
211N98.6Very high98.5Very high31 Ų3115 Ų1517%0.1669%0.089CC..THydrogen-bonded Turntrans57.6-117.2171-55-35.5000113.1C213 D231 V232 K234 Y439 T440N211-C213 PolarHBondContact O-N 3.48Å; N211-D231 PolarHBondContact ND2-OD1 2.84Å; N211-D231 WeakPolarHBondContact OD1-CA 3.25Å; N211-V232 PolarHBondContact N-O 2.83Å; N211-V232 PolarHBondContact OD1-N 3.07Å; N211-K234 PolarHBondContact O-NZ 2.78Å; N211-Y439 HydrophobicContact CB-CD1 4.42Å; N211-T440 PolarHBondContact O-N 2.99Å; N211-T440 PolarHBondContact O-OG1 3.38Å
212H98.6Very high98.3Very high45 Ų4518 Ų1821%0.20812%0.119CC..THydrogen-bonded Turntrans-64.4-21.1177.967.7-65.7000114.5I210 A214 C433 D434 Q435 C438I210-H212 PolarHBondContact O-N 3.12Å; H212-A214 PolarHBondContact O-N 2.91Å; H212-C433 WeakPolarHBondContact O-CA 3.32Å; H212-D434 PolarHBondContact CD2-O 3.28Å; H212-D434 PolarHBondContact O-N 2.97Å; H212-Q435 WeakPolarHBondContact CB-O 3.5Å; H212-C438 WeakPolarHBondContact CA-O 3.25Å; H212-C438 PolarHBondContact N-O 2.87Å
213C98.7Very high98.3Very high8 Ų818.8 Ų18.85%0.05412%0.124CC..EExtended strand (participates in β ladder)trans-79.3114.7173.6-171.90000109.3S209 I210 N211 K234 L432 T440S209-C213 CarbonylContact C-O 3.52Å; S209-C213 WeakPolarHBondContact CB-O 3.29Å; I210-C213 WeakPolarHBondContact O-CB 3.32Å; I210-C213 PolarHBondContact O-N 2.86Å; I210-C213 VanDerWaalsContact O-N 3.07Å; N211-C213 PolarHBondContact O-N 3.48Å; C213-K234 WeakPolarHBondContact O-CE 3.22Å; C213-K234 PolarHBondContact O-NZ 2.69Å; C213-L432 CarbonylContact C-O 3.58Å; C213-T440 PolarHBondContact O-OG1 3.42Å
214A98.8Very high98.2Very high0 Ų024.2 Ų24.20%015%0.153CC..EExtended strand (participates in β ladder)trans-81.4-48.7-177.100000112.4S209 H212 K234 I310 L313 F351 V359 L432 T440S209-A214 WeakPolarHBondContact CB-O 3.45Å; H212-A214 PolarHBondContact O-N 2.91Å; A214-K234 VanDerWaalsContact O-CE 3.24Å; A214-K234 WeakPolarHBondContact O-CE 3.35Å; A214-I310 HydrophobicContact CB-CD1 3.65Å; A214-L313 HydrophobicContact CB-CD1 3.81Å; A214-F351 HydrophobicContact CB-CD1 4.03Å; A214-F351 HydrophobicContact CB-CE1 4.42Å; A214-V359 HydrophobicContact CB-CG1 4Å; A214-L432 PolarHBondContact N-O 3.27Å; A214-T440 WeakPolarHBondContact CA-OG1 3.01Å; A214-T440 HydrophobicContact CB-CG2 4.35Å
215A98.7Very high98.1Very high5 Ų525.6 Ų25.64%0.04116%0.163CC..EExtended strand (participates in β ladder)trans-143.6170.9-171.300000112.9S209 Y217 F351 P431 L432S209-A215 VanDerWaalsContact OG-CA 3.3Å; S209-A215 WeakPolarHBondContact OG-CA 3.47Å; S209-A215 PolarHBondContact OG-O 2.72Å; A215-Y217 PolarHBondContact O-N 2.88Å; A215-Y217 VanDerWaalsContact O-N 3.12Å; A215-F351 HydrophobicContact CB-CE1 4.17Å; A215-F351 HydrophobicContact CB-CZ 4.34Å; A215-P431 WeakPolarHBondContact O-CA 3.46Å; A215-L432 HydrophobicContact CB-CB 4.46Å; A215-L432 PolarHBondContact O-N 3.46Å
216H98.7Very high98.1Very high52 Ų5228.2 Ų28.224%0.24118%0.179CC..  trans60.516170.5-57.2162.7000117.6S366 H367 P430 L432H216-S366 PolarHBondContact O-OG 2.92Å; H216-H367 PolarHBondContact O-CE1 3.15Å; H216-H367 PolarHBondContact O-ND1 3.42Å; H216-H367 VanDerWaalsContact O-ND1 3.12Å; H216-P430 VanDerWaalsContact CB-O 3.25Å; H216-P430 WeakPolarHBondContact CB-O 3.31Å; H216-L432 WeakPolarHBondContact ND1-CD1 3.38Å
217Y98.7Very high98.1Very high36 Ų3628.1 Ų28.114%0.14118%0.178CC..  trans-95.9123.9167.8171.3-96000111L178 G207 C208 S209 A215 D223 P431L178-Y217 HydrophobicContact CD1-CE1 3.64Å; G207-Y217 WeakPolarHBondContact CA-O 3.18Å; C208-Y217 PolarHBondContact N-O 2.98Å; S209-Y217 PolarHBondContact OG-N 3.12Å; A215-Y217 PolarHBondContact O-N 2.88Å; A215-Y217 VanDerWaalsContact O-N 3.12Å; Y217-D223 PolarHBondContact OH-OD2 2.86Å; Y217-P431 HydrophobicContact CD2-CG 4.32Å
218T98.8Very high98.1Very high1 Ų132 Ų321%0.00620%0.198CC..  trans-137.4143.4162.5-163.30000107.6P205 T206 N220 S366 H367 C401 R403P205-T218 HydrophobicContact CB-CG2 4.12Å; T206-T218 WeakPolarHBondContact O-CB 3.45Å; T206-T218 PolarHBondContact O-OG1 3.27Å; T218-N220 PolarHBondContact O-N 3.36Å; T218-S366 PolarHBondContact N-OG 3.42Å; T218-S366 WeakPolarHBondContact O-CB 3.24Å; T218-S366 PolarHBondContact O-OG 3.27Å; T218-H367 VanDerWaalsContact CG2-CE1 3.45Å; T218-H367 WeakPolarHBondContact CG2-CE1 3.41Å; T218-C401 HydrophobicContact CG2-CB 3.79Å; T218-R403 PolarHBondContact OG1-NH2 2.97Å
219P98.4Very high98.1Very high0 Ų037.5 Ų37.50%022%0.219CC..PPolyproline II helixtrans-60.7138.6-176.822.3-34.4000111.4L178 I179 C208 D223 R403L178-P219 HydrophobicContact CB-CG 4.27Å; I179-P219 HydrophobicContact CB-CB 4.18Å; I179-P219 HydrophobicContact CB-CG 4Å; I179-P219 HydrophobicContact CG1-CG 4.41Å; C208-P219 WeakPolarHBondContact SG-CD 3.37Å; P219-D223 HydrophobicContact CB-CB 3.64Å; P219-R403 WeakPolarHBondContact O-CD 3.21Å; P219-R403 VanDerWaalsContact O-CG 3.31Å; P219-R403 WeakPolarHBondContact O-CG 3.46Å; P219-R403 PolarHBondContact O-NE 3.05Å
220N98.3Very high98.1Very high8 Ų840.8 Ų40.84%0.04324%0.237CC..PPolyproline II helixtrans-87.2170.7165.8-74.3-31.7000110.2T218 G222 D223 E364 V365 S366 R402T218-N220 PolarHBondContact O-N 3.36Å; N220-G222 PolarHBondContact O-N 2.86Å; N220-D223 VanDerWaalsContact O-CB 3.32Å; N220-D223 WeakPolarHBondContact O-CB 3.47Å; N220-D223 PolarHBondContact O-N 3.39Å; N220-D223 VanDerWaalsContact O-N 3.11Å; N220-E364 VanDerWaalsContact ND2-CD 3.31Å; N220-E364 PolarHBondContact ND2-OE1 3.43Å; N220-V365 PolarHBondContact ND2-O 2.91Å; N220-S366 WeakPolarHBondContact OD1-CA 3.1Å; N220-S366 WeakPolarHBondContact OD1-CB 3.45Å; N220-R402 PolarHBondContact ND2-NH1 2.66Å; N220-R402 WeakPolarHBondContact OD1-CB 3.43Å; N220-R402 WeakPolarHBondContact OD1-CD 3.44Å; N220-R402 WeakPolarHBondContact OD1-CG 3.49Å
221G94.8Very high98.1Very high55 Ų5540 Ų4057%0.56723%0.233SC*.THydrogen-bonded Turntrans-56124.6172.600000112
222G95.1Very high98.1Very high63 Ų6338.5 Ų38.565%0.64923%0.225SC*.THydrogen-bonded Turntrans95.5-4.6-178.100000115.2N220 N224N220-G222 PolarHBondContact O-N 2.86Å; G222-N224 PolarHBondContact O-N 3.4Å; G222-N224 PolarHBondContact O-ND2 2.88Å
223D97.2Very high98.1Very high32 Ų3236.3 Ų36.317%0.17122%0.215CC..  trans-67.8123.4171.9-166.4-27.3000110.4Y217 P219 N220 T225Y217-D223 PolarHBondContact OH-OD2 2.86Å; P219-D223 HydrophobicContact CB-CB 3.64Å; N220-D223 VanDerWaalsContact O-CB 3.32Å; N220-D223 WeakPolarHBondContact O-CB 3.47Å; N220-D223 PolarHBondContact O-N 3.39Å; N220-D223 VanDerWaalsContact O-N 3.11Å; D223-T225 WeakPolarHBondContact OD1-CB 3.04Å; D223-T225 PolarHBondContact OD1-N 3.06Å; D223-T225 PolarHBondContact OD1-OG1 3.31Å
224N97.2Very high98.1Very high113 Ų11336 Ų3660%0.60421%0.213SC*.  trans-110.217.8-179.3-64.3-64.9000112.3G222 V226G222-N224 PolarHBondContact O-N 3.4Å; G222-N224 PolarHBondContact O-ND2 2.88Å; N224-V226 PolarHBondContact O-N 3.34Å
225T98.1Very high98.1Very high48 Ų4836 Ų3629%0.29421%0.213SC..  trans-60.3128.4178.8-56.80000110.1R177 L178 I210 D223R177-T225 WeakPolarHBondContact CA-O 3.44Å; L178-T225 HydrophobicContact CD1-CG2 3.55Å; L178-T225 HydrophobicContact CG-CG2 4.15Å; L178-T225 PolarHBondContact N-O 3.38Å; I210-T225 HydrophobicContact CD1-CG2 3.93Å; D223-T225 WeakPolarHBondContact OD1-CB 3.04Å; D223-T225 PolarHBondContact OD1-N 3.06Å; D223-T225 PolarHBondContact OD1-OG1 3.31Å
226V98.6Very high98.1Very high55 Ų5536.8 Ų36.833%0.33322%0.216SC..BIsolated β-bridgetrans-107.9133.4179.5177.30000108.6I176 R177 N224 N228I176-V226 WeakPolarHBondContact O-CA 3.39Å; R177-V226 HydrophobicContact CG-CG2 4.23Å; N224-V226 PolarHBondContact O-N 3.34Å; V226-N228 PolarHBondContact O-N 3.3Å; V226-N228 PolarHBondContact O-ND2 3.26Å
227L98.6Very high98.1Very high1 Ų134.4 Ų34.41%0.00521%0.205CC..  trans-68.9126.1174.6-175.865.1000110.3I172 P174 G175 I176 L178 D231 C233 L252 F254I172-L227 HydrophobicContact CG2-CD2 3.33Å; P174-L227 CarbonylContact C-O 3.24Å; P174-L227 WeakPolarHBondContact CA-O 3.29Å; G175-L227 PolarHBondContact N-O 2.93Å; I176-L227 HydrophobicContact CD1-CD2 4.49Å; I176-L227 HydrophobicContact CG1-CB 4.19Å; I176-L227 HydrophobicContact CG1-CD2 4.37Å; I176-L227 PolarHBondContact O-N 3.27Å; L178-L227 HydrophobicContact CD2-CB 3.88Å; L178-L227 HydrophobicContact CD2-CD1 4.24Å; L227-D231 HydrophobicContact CD1-CB 3.83Å; L227-C233 HydrophobicContact CD1-CB 3.89Å; L227-L252 HydrophobicContact CD2-CD2 4.24Å; L227-F254 HydrophobicContact CD2-CE2 3.8Å; L227-F254 HydrophobicContact CD2-CZ 4.32Å; L227-F254 HydrophobicContact CG-CE2 4.26Å
228N98.4Very high98.1Very high85 Ų8532.8 Ų32.846%0.45520%0.199SC..  trans-104.2167-178.8-55.2-72.8000112V226 D230 D231V226-N228 PolarHBondContact O-N 3.3Å; V226-N228 PolarHBondContact O-ND2 3.26Å; N228-D230 VanDerWaalsContact C-N 3.31Å; N228-D230 PolarHBondContact O-N 2.93Å; N228-D231 WeakPolarHBondContact CB-OD2 3.23Å; N228-D231 PolarHBondContact N-OD2 3.11Å; N228-D231 PolarHBondContact ND2-OD2 3.39Å; N228-D231 PolarHBondContact O-N 2.92Å
229Y98.5Very high98.1Very high116 Ų11632.7 Ų32.746%0.45520%0.199SC..THydrogen-bonded Turntrans-63.7-35.6178.9179.1-101000112.9P174 D231 F254 N255P174-Y229 HydrophobicContact CG-CD2 4.41Å; Y229-D231 VanDerWaalsContact C-N 3.35Å; Y229-F254 HydrophobicContact CD2-CB 3.64Å; Y229-F254 HydrophobicContact CE2-CB 3.8Å; Y229-F254 HydrophobicContact CG-CB 4.44Å; Y229-N255 HydrophobicContact CD1-CB 4.11Å; Y229-N255 HydrophobicContact CE1-CB 3.62Å; Y229-N255 PolarHBondContact O-N 3.47Å
230D98.3Very high98.1Very high72 Ų7232.9 Ų32.939%0.38520%0.199SC..THydrogen-bonded Turntrans-90.88.7179.7-72.9-56.8000113.8N228 N255 K257 F258N228-D230 VanDerWaalsContact C-N 3.31Å; N228-D230 PolarHBondContact O-N 2.93Å; D230-N255 PolarHBondContact OD1-ND2 3.06Å; D230-K257 IonicContact OD1-NZ 3.3Å; D230-F258 WeakPolarHBondContact O-CE2 3.44Å; D230-F258 WeakPolarHBondContact O-CZ 3.36Å
231D98.6Very high98.2Very high13 Ų1332.7 Ų32.77%0.0720%0.199CC..  trans-81.7138.7176.7-72.9-29.1000111.7N211 L227 N228 Y229N211-D231 PolarHBondContact ND2-OD1 2.84Å; N211-D231 WeakPolarHBondContact OD1-CA 3.25Å; L227-D231 HydrophobicContact CD1-CB 3.83Å; N228-D231 WeakPolarHBondContact CB-OD2 3.23Å; N228-D231 PolarHBondContact N-OD2 3.11Å; N228-D231 PolarHBondContact ND2-OD2 3.39Å; N228-D231 PolarHBondContact O-N 2.92Å; Y229-D231 VanDerWaalsContact C-N 3.35Å
232V98.7Very high98.3Very high0 Ų033 Ų330%019%0.187CC..  trans-103.2102.8166.9-174.90000108.5I210 N211 K234 T251 F258 Y439 T440I210-V232 CarbonylContact C-O 3.58Å; I210-V232 WeakPolarHBondContact CA-O 3.38Å; N211-V232 PolarHBondContact N-O 2.83Å; N211-V232 PolarHBondContact OD1-N 3.07Å; V232-K234 PolarHBondContact O-NZ 3.22Å; V232-T251 HydrophobicContact CG1-CG2 3.36Å; V232-F258 HydrophobicContact CG2-CB 4.16Å; V232-F258 HydrophobicContact CG2-CD1 3.6Å; V232-F258 HydrophobicContact CG2-CD2 3.57Å; V232-F258 HydrophobicContact CG2-CE1 3.73Å; V232-F258 HydrophobicContact CG2-CE2 3.69Å; V232-F258 HydrophobicContact CG2-CG 3.5Å; V232-F258 HydrophobicContact CG2-CZ 3.75Å; V232-Y439 HydrophobicContact CG2-CD1 4.02Å; V232-T440 VanDerWaalsContact CG1-O 3.23Å; V232-T440 WeakPolarHBondContact CG1-O 3.37Å
233C98.8Very high98.5Very high0 Ų030 Ų300%016%0.156CC..EExtended strand (participates in β ladder)trans-106.8122-171.7-172.60000111C208 S209 I210 L227 L252C208-C233 PolarHBondContact O-SG 2.8Å; S209-C233 WeakPolarHBondContact O-CA 3.44Å; I210-C233 HydrophobicContact CG2-CB 4.07Å; L227-C233 HydrophobicContact CD1-CB 3.89Å; C233-L252 PolarHBondContact N-O 3.34Å; C233-L252 PolarHBondContact O-N 3.23Å
234K98.8Very high98.6Very high1 Ų130.8 Ų30.80%0.00416%0.157CC..EExtended strand (participates in β ladder)trans-88.9113.8174.8-72.570.159.5-173.80108.4G207 C208 S209 N211 C213 A214 V232 T440 Q442G207-K234 CarbonylContact C-O 3.53Å; C208-K234 CarbonylContact C-O 3.56Å; C208-K234 WeakPolarHBondContact CA-O 3.25Å; S209-K234 PolarHBondContact N-O 2.81Å; S209-K234 WeakPolarHBondContact O-CE 3.43Å; S209-K234 PolarHBondContact O-N 2.78Å; S209-K234 PolarHBondContact O-NZ 2.69Å; N211-K234 PolarHBondContact O-NZ 2.78Å; C213-K234 WeakPolarHBondContact O-CE 3.22Å; C213-K234 PolarHBondContact O-NZ 2.69Å; A214-K234 VanDerWaalsContact O-CE 3.24Å; A214-K234 WeakPolarHBondContact O-CE 3.35Å; V232-K234 PolarHBondContact O-NZ 3.22Å; K234-T440 VanDerWaalsContact CD-O 3.3Å; K234-T440 WeakPolarHBondContact CD-O 3.36Å; K234-T440 WeakPolarHBondContact CE-OG1 3.34Å; K234-T440 PolarHBondContact NZ-O 2.8Å; K234-T440 PolarHBondContact NZ-OG1 2.77Å; K234-Q442 HydrophobicContact CB-CB 4.25Å; K234-Q442 HydrophobicContact CG-CB 3.46Å; K234-Q442 VanDerWaalsContact CG-CB 3.46Å
235I98.8Very high98.7Very high1 Ų125.5 Ų25.51%0.00513%0.128CC..EExtended strand (participates in β ladder)trans-94107.1175.1-54.2-59.6000107.7I172 M181 L185 G207 C208 F237 A249 F250 L252I172-I235 HydrophobicContact CD1-CD1 4.25Å; I172-I235 HydrophobicContact CD1-CG1 4.41Å; M181-I235 HydrophobicContact CE-CD1 3.51Å; M181-I235 HydrophobicContact SD-CD1 3.86Å; L185-I235 HydrophobicContact CD1-CG2 3.73Å; G207-I235 WeakPolarHBondContact O-CA 3.12Å; C208-I235 HydrophobicContact CB-CD1 4.34Å; I235-F237 HydrophobicContact CG2-CD1 4.19Å; I235-A249 VanDerWaalsContact O-CA 3.3Å; I235-A249 WeakPolarHBondContact O-CA 3.44Å; I235-F250 HydrophobicContact CB-CD1 4.21Å; I235-F250 HydrophobicContact CB-CD2 4.41Å; I235-F250 HydrophobicContact CB-CE1 3.7Å; I235-F250 HydrophobicContact CB-CE2 3.95Å; I235-F250 HydrophobicContact CB-CZ 3.57Å; I235-F250 HydrophobicContact CG1-CE1 4.47Å; I235-F250 HydrophobicContact CG1-CE2 3.91Å; I235-F250 HydrophobicContact CG1-CZ 3.83Å; I235-F250 HydrophobicContact CG2-CE1 3.68Å; I235-F250 HydrophobicContact CG2-CZ 3.73Å; I235-F250 PolarHBondContact N-O 3.43Å; I235-F250 PolarHBondContact O-N 2.96Å; I235-L252 HydrophobicContact CG1-CB 4.29Å
236D98.9Very high98.7Very high20 Ų2023.2 Ų23.211%0.10711%0.114CC..EExtended strand (participates in β ladder)trans-127.3117-174.1-174.6-9.2000108.4F204 T206 G207 A249 Q442F204-D236 VanDerWaalsContact CE2-OD1 3.29Å; F204-D236 WeakPolarHBondContact CE2-OD1 3.35Å; T206-D236 CarbonylContact C-O 3.58Å; T206-D236 WeakPolarHBondContact CA-O 3.35Å; G207-D236 WeakPolarHBondContact CA-O 3.36Å; G207-D236 PolarHBondContact N-O 2.74Å; G207-D236 PolarHBondContact O-N 3.36Å; D236-A249 HydrophobicContact CB-CB 3.72Å; D236-Q442 PolarHBondContact OD2-NE2 3.47Å
237F98.9Very high98.7Very high3 Ų320.9 Ų20.91%0.01310%0.1CC..EExtended strand (participates in β ladder)trans-152.6146.8-176.873.6-80.1000111.5H161 T164 R165 L185 F204 T206 I235 V239H161-F237 HydrophobicContact CB-CE2 4.4Å; H161-F237 HydrophobicContact CB-CZ 4.43Å; H161-F237 AromaticContact CD2-CD2 3.86Å; H161-F237 AromaticContact CD2-CE1 3.97Å; H161-F237 AromaticContact CD2-CE2 3.42Å; H161-F237 VanDerWaalsContact CD2-CE2 3.42Å; H161-F237 WeakPolarHBondContact CD2-CE2 3.36Å; H161-F237 AromaticContact CD2-CZ 3.48Å; H161-F237 VanDerWaalsContact CD2-CZ 3.48Å; H161-F237 WeakPolarHBondContact CD2-CZ 3.49Å; H161-F237 PolarHBondContact CD2-O 3.05Å; H161-F237 AromaticContact CE1-CE1 3.36Å; H161-F237 WeakPolarHBondContact CE1-CE1 3.48Å; H161-F237 AromaticContact CE1-CZ 3.44Å; H161-F237 VanDerWaalsContact CE1-CZ 3.44Å; H161-F237 WeakPolarHBondContact CE1-CZ 3.49Å; H161-F237 AromaticContact CG-CE2 3.82Å; H161-F237 AromaticContact CG-CZ 3.62Å; H161-F237 AromaticContact ND1-CE1 4Å; H161-F237 AromaticContact ND1-CZ 3.62Å; H161-F237 AromaticContact NE2-CD1 3.64Å; H161-F237 AromaticContact NE2-CD2 3.94Å; H161-F237 AromaticContact NE2-CE1 3.33Å; H161-F237 VanDerWaalsContact NE2-CE1 3.33Å; H161-F237 WeakPolarHBondContact NE2-CE1 3.45Å; H161-F237 AromaticContact NE2-CE2 3.67Å; H161-F237 AromaticContact NE2-CG 3.94Å; H161-F237 AromaticContact NE2-CZ 3.35Å; H161-F237 WeakPolarHBondContact NE2-CZ 3.34Å; H161-F237 PolarHBondContact NE2-O 2.75Å; T164-F237 HydrophobicContact CG2-CE2 3.88Å; T164-F237 HydrophobicContact CG2-CZ 3.95Å; R165-F237 HydrophobicContact CB-CE1 4.01Å; R165-F237 HydrophobicContact CB-CZ 4.04Å; L185-F237 HydrophobicContact CD1-CD1 3.89Å; L185-F237 HydrophobicContact CD1-CE1 4.17Å; L185-F237 HydrophobicContact CD1-CG 4.21Å; L185-F237 HydrophobicContact CD2-CB 3.92Å; L185-F237 HydrophobicContact CD2-CD1 4.21Å; L185-F237 HydrophobicContact CD2-CD2 3.77Å; L185-F237 HydrophobicContact CD2-CE2 4.32Å; L185-F237 HydrophobicContact CD2-CG 3.69Å; F204-F237 VanDerWaalsContact CE2-CA 3.44Å; T206-F237 HydrophobicContact CG2-CB 4.36Å; I235-F237 HydrophobicContact CG2-CD1 4.19Å; F237-V239 HydrophobicContact CD2-CG2 4.37Å; F237-V239 HydrophobicContact CE2-CG2 4.24Å
238G98.8Very high98.7Very high1 Ų120.9 Ų20.91%0.0110%0.1CC..EExtended strand (participates in β ladder)trans-116.6147.8-17500000114.1L202 A203 I246L202-G238 WeakPolarHBondContact CA-O 3.25Å; A203-G238 PolarHBondContact N-O 3.01Å; G238-I246 WeakPolarHBondContact CA-O 3.34Å
239V98.9Very high98.8Very high0 Ų016.8 Ų16.80%08%0.078CC..EExtended strand (participates in β ladder)trans-127.7144.6173.9-174.40000108.3V160 S189 I193 F237 I246V160-V239 HydrophobicContact CB-CG1 4.11Å; V160-V239 HydrophobicContact CG1-CG1 3.99Å; V160-V239 HydrophobicContact CG1-CG2 3.99Å; S189-V239 WeakPolarHBondContact OG-CG2 3.36Å; I193-V239 HydrophobicContact CB-CG1 4.04Å; I193-V239 HydrophobicContact CD1-CG1 3.49Å; I193-V239 VanDerWaalsContact CD1-CG1 3.49Å; I193-V239 HydrophobicContact CG1-CG1 3.6Å; F237-V239 HydrophobicContact CD2-CG2 4.37Å; F237-V239 HydrophobicContact CE2-CG2 4.24Å; V239-I246 PolarHBondContact N-O 2.83Å; V239-I246 PolarHBondContact O-N 2.86Å
240H98.8Very high98.8Very high3 Ų311.3 Ų11.31%0.0146%0.057CC..EExtended strand (participates in β ladder)trans-136.9155.1173.276.485.9000113.7L198 A200 G201 A203 G243 R244 I245 L398L198-H240 PolarHBondContact O-CE1 3.29Å; L198-H240 VanDerWaalsContact O-CE1 3.23Å; A200-H240 WeakPolarHBondContact CA-O 3.14Å; G201-H240 PolarHBondContact N-O 3.18Å; G201-H240 VanDerWaalsContact N-O 3.14Å; G201-H240 PolarHBondContact O-CD2 2.71Å; G201-H240 PolarHBondContact O-N 2.94Å; A203-H240 HydrophobicContact CB-CB 4.17Å; H240-G243 PolarHBondContact ND1-N 3.48Å; H240-R244 WeakPolarHBondContact CA-O 3.47Å; H240-R244 WeakPolarHBondContact CB-O 3.41Å; H240-I245 HydrophobicContact CB-CG1 4.06Å; H240-L398 VanDerWaalsContact NE2-CD1 3.29Å; H240-L398 WeakPolarHBondContact NE2-CD1 3.35Å
241V98.8Very high98.8Very high5 Ų58.2 Ų8.23%0.034%0.041CC..EExtended strand (participates in β ladder)trans-127.2122.3164.4-176.90000107.9Q153 E156 I193 N199 G243 R244Q153-V241 HydrophobicContact CB-CB 4.06Å; Q153-V241 HydrophobicContact CB-CG1 4.19Å; Q153-V241 HydrophobicContact CG-CB 4.4Å; Q153-V241 HydrophobicContact CG-CG1 3.96Å; E156-V241 HydrophobicContact CB-CG2 4.02Å; E156-V241 HydrophobicContact CG-CG2 3.92Å; I193-V241 HydrophobicContact CD1-CG2 3.64Å; N199-V241 CarbonylContact O-C 3.6Å; V241-G243 PolarHBondContact O-N 3.12Å; V241-G243 VanDerWaalsContact O-N 3.15Å; V241-R244 PolarHBondContact N-O 3.31Å; V241-R244 VanDerWaalsContact O-CB 3.31Å; V241-R244 WeakPolarHBondContact O-CB 3.28Å; V241-R244 WeakPolarHBondContact O-CG 3.31Å; V241-R244 PolarHBondContact O-N 2.99Å
242N98.5Very high98.8Very high61 Ų618.5 Ų8.533%0.3264%0.042SC..THydrogen-bonded Turntrans48.740.2-176.8-60.3-38.9000113.3Q153 N199 R244 Y321Q153-N242 PolarHBondContact NE2-ND2 3.31Å; Q153-N242 VanDerWaalsContact NE2-ND2 3.18Å; N199-N242 PolarHBondContact O-N 3.44Å; N199-N242 PolarHBondContact O-OD1 3.48Å; N242-R244 VanDerWaalsContact C-N 3.27Å; N242-R244 PolarHBondContact O-N 3.38Å; N242-Y321 VanDerWaalsContact C-CZ 3.45Å; N242-Y321 VanDerWaalsContact C-OH 3.31Å; N242-Y321 WeakPolarHBondContact CA-OH 3.03Å
243G98.5Very high98.8Very high0 Ų010.5 Ų10.50%05%0.051CC..THydrogen-bonded Turntrans74.15.4-177.500000115.6H240 V241 I245 P320 Y321H240-G243 PolarHBondContact ND1-N 3.48Å; V241-G243 PolarHBondContact O-N 3.12Å; V241-G243 VanDerWaalsContact O-N 3.15Å; G243-I245 PolarHBondContact O-N 3.26Å; G243-P320 WeakPolarHBondContact O-CA 3.48Å; G243-Y321 VanDerWaalsContact N-CZ 3.29Å; G243-Y321 PolarHBondContact N-OH 2.86Å; G243-Y321 PolarHBondContact O-N 2.74Å
244R98.7Very high98.7Very high49 Ų4913.1 Ų13.119%0.1856%0.063CC..EExtended strand (participates in β ladder)trans-80.7105.1168.7-52.7-51.6175.5-176.8-1.2108.6I150 Q153 F154 H240 V241 N242I150-R244 HydrophobicContact CG2-CG 4.37Å; Q153-R244 HydrophobicContact CB-CB 4.05Å; Q153-R244 HydrophobicContact CB-CG 3.77Å; F154-R244 HydrophobicContact CD1-CB 4.05Å; F154-R244 HydrophobicContact CD2-CB 4.04Å; F154-R244 HydrophobicContact CD2-CG 4.39Å; F154-R244 HydrophobicContact CE1-CB 4.01Å; F154-R244 HydrophobicContact CE2-CB 3.97Å; F154-R244 HydrophobicContact CE2-CG 4.18Å; F154-R244 HydrophobicContact CG-CB 4.08Å; F154-R244 HydrophobicContact CZ-CB 3.96Å; F154-R244 HydrophobicContact CZ-CG 4.5Å; H240-R244 WeakPolarHBondContact CA-O 3.47Å; H240-R244 WeakPolarHBondContact CB-O 3.41Å; V241-R244 PolarHBondContact N-O 3.31Å; V241-R244 VanDerWaalsContact O-CB 3.31Å; V241-R244 WeakPolarHBondContact O-CB 3.28Å; V241-R244 WeakPolarHBondContact O-CG 3.31Å; V241-R244 PolarHBondContact O-N 2.99Å; N242-R244 VanDerWaalsContact C-N 3.27Å; N242-R244 PolarHBondContact O-N 3.38Å
245I98.9Very high98.7Very high1 Ų114.5 Ų14.51%0.0057%0.07CC..EExtended strand (participates in β ladder)trans-93.1132-168.4-61163.8000110.2F154 A203 F204 H240 G243 L318 I323 L398F154-I245 VanDerWaalsContact CE1-O 3.23Å; F154-I245 WeakPolarHBondContact CE1-O 3.47Å; A203-I245 HydrophobicContact CB-CB 4.26Å; A203-I245 HydrophobicContact CB-CG1 3.96Å; A203-I245 HydrophobicContact CB-CG2 3.49Å; A203-I245 VanDerWaalsContact CB-CG2 3.49Å; F204-I245 HydrophobicContact CD1-CG2 4.47Å; F204-I245 HydrophobicContact CE1-CG2 4.21Å; H240-I245 HydrophobicContact CB-CG1 4.06Å; G243-I245 PolarHBondContact O-N 3.26Å; I245-L318 HydrophobicContact CB-CD2 4.36Å; I245-L318 HydrophobicContact CG2-CD2 4.37Å; I245-I323 HydrophobicContact CD1-CB 4.29Å; I245-I323 HydrophobicContact CD1-CD1 4.19Å; I245-I323 HydrophobicContact CG2-CD1 3.59Å; I245-L398 HydrophobicContact CD1-CD2 3.82Å; I245-L398 HydrophobicContact CG1-CD2 4.25Å
246I98.9Very high98.7Very high0 Ų018 Ų180%09%0.093CC..EExtended strand (participates in β ladder)trans-96.5114.4160.8-63.7-64.4000107.7F154 A158 H161 G238 V239 C248 T446 V457F154-I246 HydrophobicContact CB-CD1 4.23Å; F154-I246 HydrophobicContact CD1-CD1 3.81Å; F154-I246 WeakPolarHBondContact O-CD1 3.19Å; F154-I246 WeakPolarHBondContact O-CG1 3.49Å; A158-I246 HydrophobicContact CB-CD1 3.91Å; A158-I246 HydrophobicContact CB-CG1 4.07Å; H161-I246 HydrophobicContact CB-CG2 4.1Å; G238-I246 WeakPolarHBondContact CA-O 3.34Å; V239-I246 PolarHBondContact N-O 2.83Å; V239-I246 PolarHBondContact O-N 2.86Å; I246-C248 HydrophobicContact CG2-CB 4.17Å; I246-T446 HydrophobicContact CD1-CG2 4.09Å; I246-V457 HydrophobicContact CD1-CG1 3.57Å
247D98.9Very high98.6Very high7 Ų719.5 Ų19.54%0.03710%0.099CC..  trans-106.3119.3169.7-158.3-11.8000109.2F204 H316 L318 I323 A347 H445 T446F204-D247 HydrophobicContact CE1-CB 4.09Å; F204-D247 HydrophobicContact CZ-CB 4.34Å; F204-D247 WeakPolarHBondContact CZ-OD1 3.23Å; D247-H316 IonicContact OD2-CE1 2.68Å; D247-H316 PolarHBondContact OD2-CE1 3.49Å; D247-H316 VanDerWaalsContact OD2-CE1 3.26Å; D247-H316 IonicContact OD2-NE2 2.8Å; D247-H316 PolarHBondContact OD2-NE2 2.97Å; D247-L318 HydrophobicContact CB-CD2 4.29Å; D247-I323 HydrophobicContact CB-CD1 4.2Å; D247-I323 VanDerWaalsContact OD2-CD1 3.25Å; D247-I323 WeakPolarHBondContact OD2-CD1 3.09Å; D247-A347 HydrophobicContact CB-CB 3.88Å; D247-H445 CarbonylContact O-C 3.59Å; D247-T446 PolarHBondContact N-OG1 3.11Å; D247-T446 PolarHBondContact O-N 3.03Å; D247-T446 PolarHBondContact O-OG1 2.81Å
248C98.9Very high98.6Very high0 Ų019.3 Ų19.30%010%0.098CC..  trans-166131.8-170.4-175.50000110.1H161 R165 I246 E444 Y463H161-C248 PolarHBondContact CE1-O 3.07Å; H161-C248 PolarHBondContact NE2-O 3.19Å; R165-C248 PolarHBondContact NH1-SG 2.56Å; I246-C248 HydrophobicContact CG2-CB 4.17Å; C248-E444 PolarHBondContact SG-O 3.47Å; C248-Y463 PolarHBondContact SG-OH 2.87Å
249A98.9Very high98.6Very high0 Ų023.2 Ų23.20%012%0.119CC..EExtended strand (participates in β ladder)trans-140.3155.5-170.200000111.3I235 D236 Q442 E444 Y463I235-A249 VanDerWaalsContact O-CA 3.3Å; I235-A249 WeakPolarHBondContact O-CA 3.44Å; D236-A249 HydrophobicContact CB-CB 3.72Å; A249-Q442 HydrophobicContact CB-CG 4.23Å; A249-E444 HydrophobicContact CB-CB 3.87Å; A249-E444 PolarHBondContact N-O 2.97Å; A249-E444 PolarHBondContact O-N 3.5Å; A249-E444 VanDerWaalsContact O-N 3.15Å; A249-Y463 WeakPolarHBondContact O-CE2 3.49Å; A249-Y463 PolarHBondContact O-OH 2.82Å
250F98.9Very high98.6Very high1 Ų126.2 Ų26.20%0.00414%0.137CC..EExtended strand (participates in β ladder)trans-141.9153.9172.965.1-84.7000111.3R165 K169 I235 L252 Q442 W443 Y463R165-F250 HydrophobicContact CB-CD1 4.4Å; R165-F250 HydrophobicContact CB-CE1 3.79Å; K169-F250 HydrophobicContact CD-CD2 4.45Å; K169-F250 HydrophobicContact CD-CE2 4.1Å; K169-F250 HydrophobicContact CD-CZ 4.28Å; K169-F250 HydrophobicContact CG-CD2 4.37Å; K169-F250 HydrophobicContact CG-CE2 3.57Å; K169-F250 HydrophobicContact CG-CZ 3.65Å; I235-F250 HydrophobicContact CB-CD1 4.21Å; I235-F250 HydrophobicContact CB-CD2 4.41Å; I235-F250 HydrophobicContact CB-CE1 3.7Å; I235-F250 HydrophobicContact CB-CE2 3.95Å; I235-F250 HydrophobicContact CB-CZ 3.57Å; I235-F250 HydrophobicContact CG1-CE1 4.47Å; I235-F250 HydrophobicContact CG1-CE2 3.91Å; I235-F250 HydrophobicContact CG1-CZ 3.83Å; I235-F250 HydrophobicContact CG2-CE1 3.68Å; I235-F250 HydrophobicContact CG2-CZ 3.73Å; I235-F250 PolarHBondContact N-O 3.43Å; I235-F250 PolarHBondContact O-N 2.96Å; F250-L252 HydrophobicContact CE2-CB 4.24Å; F250-Q442 CarbonylContact C-O 3.59Å; F250-W443 HydrophobicContact CB-CE3 3.67Å; F250-W443 HydrophobicContact CB-CH2 4.01Å; F250-W443 HydrophobicContact CB-CZ3 3.31Å; F250-Y463 HydrophobicContact CB-CD1 4.4Å; F250-Y463 HydrophobicContact CB-CE1 3.83Å; F250-Y463 HydrophobicContact CB-CE2 4.35Å; F250-Y463 HydrophobicContact CD1-CE1 4.15Å; F250-Y463 HydrophobicContact CG-CE1 4.25Å
251T98.8Very high98.6Very high7 Ų726.1 Ų26.14%0.04314%0.136CC..EExtended strand (participates in β ladder)trans-89.9129.9170.6-58.90000110.5V232 V262 A441 Q442V232-T251 HydrophobicContact CG1-CG2 3.36Å; T251-V262 HydrophobicContact CG2-CG2 3.74Å; T251-A441 HydrophobicContact CG2-CB 4.05Å; T251-Q442 PolarHBondContact N-O 3.34Å; T251-Q442 VanDerWaalsContact N-O 3.16Å; T251-Q442 PolarHBondContact OG1-N 3.02Å; T251-Q442 PolarHBondContact OG1-O 3.06Å
252L98.2Very high98.6Very high19 Ų1926.2 Ų26.210%0.09914%0.137CC..EExtended strand (participates in β ladder)trans-103.9129.2169.6-176.178.1000109.4I172 L227 C233 I235 F250 F254I172-L252 HydrophobicContact CB-CD2 3.89Å; I172-L252 HydrophobicContact CD1-CD2 3.92Å; I172-L252 HydrophobicContact CG2-CD2 3.33Å; L227-L252 HydrophobicContact CD2-CD2 4.24Å; C233-L252 PolarHBondContact N-O 3.34Å; C233-L252 PolarHBondContact O-N 3.23Å; I235-L252 HydrophobicContact CG1-CB 4.29Å; F250-L252 HydrophobicContact CE2-CB 4.24Å; L252-F254 HydrophobicContact CD2-CE2 4.1Å; L252-F254 HydrophobicContact CD2-CZ 3.91Å; L252-F254 HydrophobicContact CG-CE2 4.43Å; L252-F254 HydrophobicContact CG-CZ 4.3Å
253H98.3Very high98.6Very high42 Ų4228 Ų2819%0.19414%0.143CC..  trans-145.3151.3172.563.4-68.2000109.5N255 F258 D259H253-N255 PolarHBondContact CD2-O 3.14Å; H253-F258 HydrophobicContact CB-CB 4.26Å; H253-F258 HydrophobicContact CB-CD2 4.21Å; H253-D259 IonicContact CD2-OD1 3.31Å; H253-D259 IonicContact CE1-OD1 3.7Å; H253-D259 IonicContact NE2-OD1 3.26Å; H253-D259 PolarHBondContact NE2-OD1 3.42Å
254F98.4Very high98.6Very high55 Ų5528 Ų2824%0.24114%0.143CC..SBendtrans-109.6-32178.6-61.4-78.6000113I172 P174 L227 Y229 L252 P256I172-F254 HydrophobicContact CG2-CZ 4.07Å; P174-F254 HydrophobicContact CG-CB 4.37Å; P174-F254 HydrophobicContact CG-CD1 4.15Å; P174-F254 HydrophobicContact CG-CD2 3.53Å; P174-F254 HydrophobicContact CG-CE1 4.34Å; P174-F254 HydrophobicContact CG-CE2 3.74Å; P174-F254 HydrophobicContact CG-CG 3.74Å; P174-F254 HydrophobicContact CG-CZ 4.14Å; L227-F254 HydrophobicContact CD2-CE2 3.8Å; L227-F254 HydrophobicContact CD2-CZ 4.32Å; L227-F254 HydrophobicContact CG-CE2 4.26Å; Y229-F254 HydrophobicContact CD2-CB 3.64Å; Y229-F254 HydrophobicContact CE2-CB 3.8Å; Y229-F254 HydrophobicContact CG-CB 4.44Å; L252-F254 HydrophobicContact CD2-CE2 4.1Å; L252-F254 HydrophobicContact CD2-CZ 3.91Å; L252-F254 HydrophobicContact CG-CE2 4.43Å; L252-F254 HydrophobicContact CG-CZ 4.3Å; F254-P256 WeakPolarHBondContact O-CD 3.31Å
255N98.3Very high98.6Very high29 Ų2925.6 Ų25.616%0.15513%0.134CC..SBendtrans-81.7118.9177.4-168-24.2000110.5Y229 D230 H253 K257 F258Y229-N255 HydrophobicContact CD1-CB 4.11Å; Y229-N255 HydrophobicContact CE1-CB 3.62Å; Y229-N255 PolarHBondContact O-N 3.47Å; D230-N255 PolarHBondContact OD1-ND2 3.06Å; H253-N255 PolarHBondContact CD2-O 3.14Å; N255-K257 HydrophobicContact CB-CG 4.15Å; N255-K257 WeakPolarHBondContact ND2-CD 3.5Å; N255-K257 PolarHBondContact O-N 2.82Å; N255-K257 PolarHBondContact OD1-N 2.76Å; N255-K257 VanDerWaalsContact OD1-N 3.13Å; N255-F258 HydrophobicContact CB-CD2 4.06Å; N255-F258 HydrophobicContact CB-CE2 4.01Å; N255-F258 WeakPolarHBondContact O-CD2 3.2Å; N255-F258 PolarHBondContact O-N 3.45Å; N255-F258 VanDerWaalsContact O-N 3.16Å
256P98.2Very high98.6Very high76 Ų7627.8 Ų27.849%0.49414%0.144SC..G310 helixtrans-58.2-15.5179.7-25.535.4000114.7F254 F258 D259F254-P256 WeakPolarHBondContact O-CD 3.31Å; P256-F258 PolarHBondContact O-N 2.79Å; P256-D259 WeakPolarHBondContact O-CB 3.15Å; P256-D259 PolarHBondContact O-N 2.8Å
257K97.9Very high98.6Very high50 Ų5030.3 Ų30.322%0.21716%0.157CC..G310 helixtrans-55.2-23.7174.377.5-178.4-175.8176.10113.1D230 N255 L300 D301D230-K257 IonicContact OD1-NZ 3.3Å; N255-K257 HydrophobicContact CB-CG 4.15Å; N255-K257 WeakPolarHBondContact ND2-CD 3.5Å; N255-K257 PolarHBondContact O-N 2.82Å; N255-K257 PolarHBondContact OD1-N 2.76Å; N255-K257 VanDerWaalsContact OD1-N 3.13Å; K257-L300 HydrophobicContact CB-CD2 4.3Å; K257-L300 HydrophobicContact CG-CD2 4.14Å; K257-L300 WeakPolarHBondContact O-CD2 3.48Å; K257-D301 IonicContact NZ-OD1 3.42Å; K257-D301 PolarHBondContact NZ-OD1 2.81Å; K257-D301 IonicContact NZ-OD2 3.14Å; K257-D301 PolarHBondContact NZ-OD2 2.99Å
258F98.6Very high98.6Very high0 Ų030 Ų300%016%0.155CC..G310 helixtrans-91.4-3.8179.4-55.4-62.7000114.7D230 V232 H253 N255 P256 T260 L261 V262 L300 Y439D230-F258 WeakPolarHBondContact O-CE2 3.44Å; D230-F258 WeakPolarHBondContact O-CZ 3.36Å; V232-F258 HydrophobicContact CG2-CB 4.16Å; V232-F258 HydrophobicContact CG2-CD1 3.6Å; V232-F258 HydrophobicContact CG2-CD2 3.57Å; V232-F258 HydrophobicContact CG2-CE1 3.73Å; V232-F258 HydrophobicContact CG2-CE2 3.69Å; V232-F258 HydrophobicContact CG2-CG 3.5Å; V232-F258 HydrophobicContact CG2-CZ 3.75Å; H253-F258 HydrophobicContact CB-CB 4.26Å; H253-F258 HydrophobicContact CB-CD2 4.21Å; N255-F258 HydrophobicContact CB-CD2 4.06Å; N255-F258 HydrophobicContact CB-CE2 4.01Å; N255-F258 WeakPolarHBondContact O-CD2 3.2Å; N255-F258 PolarHBondContact O-N 3.45Å; N255-F258 VanDerWaalsContact O-N 3.16Å; P256-F258 PolarHBondContact O-N 2.79Å; F258-T260 VanDerWaalsContact C-N 3.34Å; F258-T260 PolarHBondContact O-N 3.31Å; F258-L261 PolarHBondContact O-N 3.4Å; F258-L261 VanDerWaalsContact O-N 3.09Å; F258-V262 PolarHBondContact O-N 3.32Å; F258-L300 HydrophobicContact CD1-CD1 4.34Å; F258-L300 HydrophobicContact CD1-CD2 3.84Å; F258-L300 HydrophobicContact CE1-CD1 4.38Å; F258-L300 HydrophobicContact CE1-CD2 4.14Å; F258-Y439 HydrophobicContact CD1-CD1 4.46Å; F258-Y439 HydrophobicContact CD1-CG 4.4Å; F258-Y439 AromaticContact CE1-CD1 3.52Å; F258-Y439 HydrophobicContact CE1-CD1 3.52Å; F258-Y439 AromaticContact CE1-CD2 3.9Å; F258-Y439 HydrophobicContact CE1-CD2 3.9Å; F258-Y439 AromaticContact CE1-CE1 3.56Å; F258-Y439 HydrophobicContact CE1-CE1 3.56Å; F258-Y439 AromaticContact CE1-CE2 3.92Å; F258-Y439 HydrophobicContact CE1-CE2 3.92Å; F258-Y439 AromaticContact CE1-CG 3.68Å; F258-Y439 HydrophobicContact CE1-CG 3.68Å; F258-Y439 AromaticContact CE1-CZ 3.75Å; F258-Y439 AromaticContact CZ-CD1 3.8Å; F258-Y439 HydrophobicContact CZ-CD1 3.8Å; F258-Y439 AromaticContact CZ-CE1 3.49Å; F258-Y439 HydrophobicContact CZ-CE1 3.49Å; F258-Y439 VanDerWaalsContact CZ-CE1 3.49Å; F258-Y439 HydrophobicContact CZ-CE2 4.49Å; F258-Y439 HydrophobicContact CZ-CG 4.42Å; F258-Y439 AromaticContact CZ-CZ 3.87Å
259D98.6Very high98.6Very high83 Ų8330 Ų3044%0.44416%0.156SC..Hα-helixtrans-53.2-48.7-174.1-73.5-12000112.1H253 P256 L261 V262 E263H253-D259 IonicContact CD2-OD1 3.31Å; H253-D259 IonicContact CE1-OD1 3.7Å; H253-D259 IonicContact NE2-OD1 3.26Å; H253-D259 PolarHBondContact NE2-OD1 3.42Å; P256-D259 WeakPolarHBondContact O-CB 3.15Å; P256-D259 PolarHBondContact O-N 2.8Å; D259-L261 PolarHBondContact O-N 3.14Å; D259-V262 PolarHBondContact O-N 2.72Å; D259-E263 WeakPolarHBondContact O-CB 3.36Å; D259-E263 PolarHBondContact O-N 3.35Å
260T98.6Very high98.6Very high63 Ų6332.3 Ų32.339%0.38717%0.168SC..Hα-helixtrans-64.7-36.9-179.2-500000112.8F258 A264 Y296 E297 V298F258-T260 VanDerWaalsContact C-N 3.34Å; F258-T260 PolarHBondContact O-N 3.31Å; T260-A264 VanDerWaalsContact O-CB 3.3Å; T260-A264 WeakPolarHBondContact O-CB 3.29Å; T260-A264 PolarHBondContact O-N 2.91Å; T260-Y296 HydrophobicContact CG2-CD1 4.23Å; T260-E297 WeakPolarHBondContact CG2-O 3.45Å; T260-V298 HydrophobicContact CG2-CB 4.39Å
261L98.8Very high98.6Very high0 Ų033.7 Ų33.70%018%0.177CC..Hα-helixtrans-65-45.2175.7171.163.4000110.4F258 D259 A264 V265 V298 V307 T354 A441F258-L261 PolarHBondContact O-N 3.4Å; F258-L261 VanDerWaalsContact O-N 3.09Å; D259-L261 PolarHBondContact O-N 3.14Å; L261-A264 PolarHBondContact O-N 3Å; L261-V265 WeakPolarHBondContact O-CG2 3.33Å; L261-V265 PolarHBondContact O-N 2.74Å; L261-V298 HydrophobicContact CB-CG2 4.39Å; L261-V307 HydrophobicContact CD1-CG1 3.79Å; L261-V307 HydrophobicContact CD1-CG2 4.09Å; L261-T354 HydrophobicContact CD1-CG2 4.49Å; L261-T354 HydrophobicContact CD2-CG2 4.32Å; L261-A441 HydrophobicContact CG-CB 4.13Å
262V98.7Very high98.6Very high8 Ų833.4 Ų33.45%0.04818%0.175CC..Hα-helixtrans-67.9-38.7-179174.10000111.2T251 F258 D259 V265 K266 A441 W443T251-V262 HydrophobicContact CG2-CG2 3.74Å; F258-V262 PolarHBondContact O-N 3.32Å; D259-V262 PolarHBondContact O-N 2.72Å; V262-V265 PolarHBondContact O-N 3.39Å; V262-K266 WeakPolarHBondContact O-CB 3.43Å; V262-K266 PolarHBondContact O-N 2.71Å; V262-A441 HydrophobicContact CG2-CB 4.19Å; V262-W443 HydrophobicContact CG1-CZ2 3.59Å; V262-W443 PolarHBondContact O-NE1 2.85Å
263E98.8Very high98.6Very high97 Ų9732.5 Ų32.545%0.45317%0.17SC..Hα-helixtrans-66.6-43.4175.5-172.859.6-159.400111.9D259 V265 K266 D267 Y296D259-E263 WeakPolarHBondContact O-CB 3.36Å; D259-E263 PolarHBondContact O-N 3.35Å; E263-V265 VanDerWaalsContact C-N 3.25Å; E263-V265 PolarHBondContact O-N 2.89Å; E263-K266 WeakPolarHBondContact O-CB 3.32Å; E263-K266 PolarHBondContact O-N 2.72Å; E263-D267 WeakPolarHBondContact O-CB 3.26Å; E263-D267 PolarHBondContact O-N 3.02Å; E263-Y296 HydrophobicContact CG-CE1 4.5Å
264A98.8Very high98.6Very high0 Ų038.5 Ų38.50%020%0.196CC..Hα-helixtrans-55-42.2176.900000112.3T260 L261 A268 Y296 V307T260-A264 VanDerWaalsContact O-CB 3.3Å; T260-A264 WeakPolarHBondContact O-CB 3.29Å; T260-A264 PolarHBondContact O-N 2.91Å; L261-A264 PolarHBondContact O-N 3Å; A264-A268 VanDerWaalsContact O-CB 3.28Å; A264-A268 WeakPolarHBondContact O-CB 3.44Å; A264-A268 PolarHBondContact O-N 2.86Å; A264-Y296 HydrophobicContact CB-CD1 3.7Å; A264-Y296 HydrophobicContact CB-CD2 3.74Å; A264-Y296 HydrophobicContact CB-CE1 4.34Å; A264-Y296 HydrophobicContact CB-CE2 4.39Å; A264-Y296 HydrophobicContact CB-CG 3.36Å; A264-V307 HydrophobicContact CB-CB 4.35Å; A264-V307 HydrophobicContact CB-CG1 4.27Å; A264-V307 HydrophobicContact CB-CG2 3.99Å
265V98.9Very high98.5Very high0 Ų037.4 Ų37.40%020%0.197CC..Hα-helixtrans-75.1-34.2178.6-176.50000111.6L261 V262 E263 T269 M293 T350 G352 A441L261-V265 WeakPolarHBondContact O-CG2 3.33Å; L261-V265 PolarHBondContact O-N 2.74Å; V262-V265 PolarHBondContact O-N 3.39Å; E263-V265 VanDerWaalsContact C-N 3.25Å; E263-V265 PolarHBondContact O-N 2.89Å; V265-T269 WeakPolarHBondContact O-CB 3.39Å; V265-T269 PolarHBondContact O-N 2.76Å; V265-T269 PolarHBondContact O-OG1 2.68Å; V265-M293 HydrophobicContact CG1-CE 4.33Å; V265-M293 HydrophobicContact CG2-CE 4.29Å; V265-T350 VanDerWaalsContact CG1-O 3.26Å; V265-T350 WeakPolarHBondContact CG1-O 3.41Å; V265-T350 WeakPolarHBondContact CG1-OG1 3.18Å; V265-T350 PolarHBondContact O-OG1 2.99Å; V265-G352 VanDerWaalsContact CG2-CA 3.44Å; V265-G352 VanDerWaalsContact CG2-N 3.34Å; V265-A441 HydrophobicContact CB-CB 4.32Å; V265-A441 HydrophobicContact CG2-CB 3.94Å
266K98.9Very high98.4Very high47 Ų4736.1 Ų36.120%0.20419%0.19CC..Hα-helixtrans-63.4-47.9175.2-167.2175.1178.1173.30110.9V262 E263 T269 N270 W443 D462V262-K266 WeakPolarHBondContact O-CB 3.43Å; V262-K266 PolarHBondContact O-N 2.71Å; E263-K266 WeakPolarHBondContact O-CB 3.32Å; E263-K266 PolarHBondContact O-N 2.72Å; K266-T269 PolarHBondContact O-N 2.94Å; K266-N270 PolarHBondContact O-N 3.03Å; K266-N270 PolarHBondContact O-ND2 3.43Å; K266-W443 HydrophobicContact CB-CD2 4.23Å; K266-W443 HydrophobicContact CB-CG 4.07Å; K266-W443 HydrophobicContact CD-CH2 4.43Å; K266-W443 HydrophobicContact CD-CZ2 4.06Å; K266-W443 HydrophobicContact CG-CD2 4.13Å; K266-W443 HydrophobicContact CG-CG 4.29Å; K266-W443 HydrophobicContact CG-CZ2 4.46Å; K266-D462 PolarHBondContact NZ-O 3.43Å
267D98.8Very high98.2Very high52 Ų5232.7 Ų32.728%0.27817%0.168SC..Hα-helixtrans-62.3-47.3178-168.221.9000110.6E263 T269 N270 T271 T292 Y296E263-D267 WeakPolarHBondContact O-CB 3.26Å; E263-D267 PolarHBondContact O-N 3.02Å; D267-T269 VanDerWaalsContact C-N 3.3Å; D267-T269 PolarHBondContact O-N 3.04Å; D267-N270 CarbonylContact O-C 3.57Å; D267-N270 PolarHBondContact O-N 3.01Å; D267-N270 VanDerWaalsContact O-N 3.11Å; D267-T271 PolarHBondContact O-N 2.99Å; D267-T271 PolarHBondContact O-OG1 3.24Å; D267-T292 HydrophobicContact CB-CG2 4.03Å; D267-T292 WeakPolarHBondContact OD2-CG2 3.43Å; D267-Y296 HydrophobicContact CB-CE2 4.2Å; D267-Y296 WeakPolarHBondContact OD2-CE2 3.42Å; D267-Y296 PolarHBondContact OD2-OH 2.87Å
268A98.9Very high98.1Very high0 Ų030.9 Ų30.90%016%0.161CC..Hα-helixtrans-58.3-39.8175.600000113.1A264 T271 G272 I289 T292 M293A264-A268 VanDerWaalsContact O-CB 3.28Å; A264-A268 WeakPolarHBondContact O-CB 3.44Å; A264-A268 PolarHBondContact O-N 2.86Å; A268-T271 PolarHBondContact O-N 3.48Å; A268-G272 PolarHBondContact O-N 2.65Å; A268-I289 HydrophobicContact CB-CG2 4.27Å; A268-T292 HydrophobicContact CB-CG2 4.36Å; A268-M293 HydrophobicContact CB-CB 3.8Å; A268-M293 HydrophobicContact CB-CE 3.44Å; A268-M293 VanDerWaalsContact CB-CE 3.44Å; A268-M293 HydrophobicContact CB-CG 4.29Å
269T98.9Very high97.8Very high2 Ų234.1 Ų34.11%0.01218%0.178CC..Hα-helixtrans-64.8-44.6175.1-55.90000111.4V265 K266 D267 T271 G272 I273 I348 T350 W443V265-T269 WeakPolarHBondContact O-CB 3.39Å; V265-T269 PolarHBondContact O-N 2.76Å; V265-T269 PolarHBondContact O-OG1 2.68Å; K266-T269 PolarHBondContact O-N 2.94Å; D267-T269 VanDerWaalsContact C-N 3.3Å; D267-T269 PolarHBondContact O-N 3.04Å; T269-T271 VanDerWaalsContact C-N 3.35Å; T269-T271 PolarHBondContact O-N 2.6Å; T269-G272 WeakPolarHBondContact O-CA 3.48Å; T269-G272 PolarHBondContact O-N 3.33Å; T269-G272 VanDerWaalsContact O-N 3.16Å; T269-I273 HydrophobicContact CG2-CD1 4.14Å; T269-I273 WeakPolarHBondContact O-CG1 3.43Å; T269-I273 PolarHBondContact O-N 2.8Å; T269-I348 WeakPolarHBondContact CG2-O 3.39Å; T269-T350 PolarHBondContact OG1-OG1 3.09Å; T269-W443 HydrophobicContact CG2-CB 4.17Å; T269-W443 WeakPolarHBondContact OG1-CB 3.44Å; T269-W443 PolarHBondContact OG1-O 3.25Å
270N98.8Very high97.6Very high47 Ų4732 Ų3225%0.25117%0.169SC..Hα-helixtrans-65.4-36.1176-77.1-38.7000112.6K266 D267 I273 K274 R459K266-N270 PolarHBondContact O-N 3.03Å; K266-N270 PolarHBondContact O-ND2 3.43Å; D267-N270 CarbonylContact O-C 3.57Å; D267-N270 PolarHBondContact O-N 3.01Å; D267-N270 VanDerWaalsContact O-N 3.11Å; N270-I273 PolarHBondContact O-N 3.42Å; N270-K274 WeakPolarHBondContact O-CB 3.4Å; N270-K274 PolarHBondContact O-N 3.11Å; N270-R459 PolarHBondContact OD1-NH1 3.29Å; N270-R459 PolarHBondContact OD1-NH2 3.45Å
271T98.7Very high97.5Very high31 Ų3132.9 Ų32.919%0.1917%0.165CC..Hα-helixtrans-60-46.3169.5-68.20000110.8D267 A268 T269 I273 K274 A275 A288 T292D267-T271 PolarHBondContact O-N 2.99Å; D267-T271 PolarHBondContact O-OG1 3.24Å; A268-T271 PolarHBondContact O-N 3.48Å; T269-T271 VanDerWaalsContact C-N 3.35Å; T269-T271 PolarHBondContact O-N 2.6Å; T271-I273 PolarHBondContact O-N 2.76Å; T271-K274 PolarHBondContact O-N 3.45Å; T271-A275 VanDerWaalsContact O-CB 3.3Å; T271-A275 WeakPolarHBondContact O-CB 3.41Å; T271-A275 PolarHBondContact O-N 3.43Å; T271-A288 HydrophobicContact CG2-CB 3.8Å; T271-T292 WeakPolarHBondContact CG2-OG1 3.49Å; T271-T292 PolarHBondContact OG1-OG1 3.42Å
272G98.5Very high97.4Very high0 Ų033 Ų330%017%0.165CC..Hα-helixtrans-57.8-47.5174.900000112.6A268 T269 K274 A275 A276A268-G272 PolarHBondContact O-N 2.65Å; T269-G272 WeakPolarHBondContact O-CA 3.48Å; T269-G272 PolarHBondContact O-N 3.33Å; T269-G272 VanDerWaalsContact O-N 3.16Å; G272-K274 VanDerWaalsContact C-N 3.34Å; G272-K274 PolarHBondContact O-N 2.83Å; G272-A275 PolarHBondContact O-N 2.9Å; G272-A276 WeakPolarHBondContact O-CB 3.44Å; G272-A276 PolarHBondContact O-N 3.25Å
273I98.5Very high97.4Very high1 Ų133.3 Ų33.31%0.00517%0.168CC..Hα-helixtrans-60.3-44.7176.6-69.7165.8000110.6I120 T269 N270 T271 A276 I348 H445 I447 K454 V456I120-I273 HydrophobicContact CD1-CG2 4.13Å; T269-I273 HydrophobicContact CG2-CD1 4.14Å; T269-I273 WeakPolarHBondContact O-CG1 3.43Å; T269-I273 PolarHBondContact O-N 2.8Å; N270-I273 PolarHBondContact O-N 3.42Å; T271-I273 PolarHBondContact O-N 2.76Å; I273-A276 PolarHBondContact O-N 3.34Å; I273-I348 HydrophobicContact CG1-CB 3.94Å; I273-I348 HydrophobicContact CG1-CG1 4.35Å; I273-I348 HydrophobicContact CG1-CG2 3.86Å; I273-H445 HydrophobicContact CD1-CB 3.83Å; I273-I447 HydrophobicContact CG1-CG2 4.33Å; I273-I447 HydrophobicContact CG2-CG2 4.27Å; I273-K454 WeakPolarHBondContact O-CE 3.42Å; I273-K454 PolarHBondContact O-NZ 2.89Å; I273-V456 HydrophobicContact CD1-CG1 4.36Å; I273-V456 HydrophobicContact CG2-CG2 3.54Å
274K97.4Very high97.3Very high167 Ų16731.7 Ų31.773%0.72616%0.162SC*.Hα-helixtrans-63.5-45.6178.6-176.4178.5178-178.50111.4N270 T271 G272 K454N270-K274 WeakPolarHBondContact O-CB 3.4Å; N270-K274 PolarHBondContact O-N 3.11Å; T271-K274 PolarHBondContact O-N 3.45Å; G272-K274 VanDerWaalsContact C-N 3.34Å; G272-K274 PolarHBondContact O-N 2.83Å; K274-K454 PolarHBondContact O-NZ 2.71Å
275A96.3Very high97.2Very high33 Ų3331.7 Ų31.727%0.27316%0.162SC..Hα-helixtrans-68.8-31.3-179.900000113.1T271 G272 V280 V285 A288T271-A275 VanDerWaalsContact O-CB 3.3Å; T271-A275 WeakPolarHBondContact O-CB 3.41Å; T271-A275 PolarHBondContact O-N 3.43Å; G272-A275 PolarHBondContact O-N 2.9Å; A275-V280 WeakPolarHBondContact O-CG1 3.35Å; A275-V285 HydrophobicContact CB-CG2 4.41Å; A275-A288 HydrophobicContact CB-CB 4.3Å
276A96.8Very high97.2Very high2 Ų231.7 Ų31.72%0.01716%0.162CC..  trans-61.9141179.700000112.3G272 I273 M340 I348 I447 K454G272-A276 WeakPolarHBondContact O-CB 3.44Å; G272-A276 PolarHBondContact O-N 3.25Å; I273-A276 PolarHBondContact O-N 3.34Å; A276-M340 HydrophobicContact CB-CE 3.85Å; A276-M340 HydrophobicContact CB-SD 3.77Å; A276-I348 HydrophobicContact CB-CD1 4.34Å; A276-I447 HydrophobicContact CB-CD1 3.63Å; A276-K454 WeakPolarHBondContact O-CD 3.3Å; A276-K454 PolarHBondContact O-NZ 2.96Å
277G95.1Very high97.2Very high3 Ų331 Ų313%0.03117%0.165CC..  trans177.6168.2175.600000113.6D279 V280 M340G277-D279 PolarHBondContact O-N 2.98Å; G277-V280 VanDerWaalsContact O-CB 3.23Å; G277-V280 WeakPolarHBondContact O-CB 3.48Å; G277-V280 WeakPolarHBondContact O-CG2 3.42Å; G277-V280 PolarHBondContact O-N 2.76Å; G277-V280 VanDerWaalsContact O-N 3.09Å; G277-M340 VanDerWaalsContact O-CB 3.32Å; G277-M340 WeakPolarHBondContact O-CB 3.31Å
278I94.2Very high97.2Very high13 Ų1329.8 Ų29.87%0.06716%0.162CC..THydrogen-bonded Turntrans-60.4135.8178-61.4166.6000109.1Y122 R134 V280 E342 L449Y122-I278 HydrophobicContact CD2-CD1 4.43Å; Y122-I278 HydrophobicContact CE1-CD1 4.45Å; Y122-I278 HydrophobicContact CE1-CG1 4.15Å; Y122-I278 HydrophobicContact CE2-CD1 3.58Å; Y122-I278 HydrophobicContact CE2-CG1 4.17Å; Y122-I278 WeakPolarHBondContact OH-CD1 3.35Å; R134-I278 VanDerWaalsContact CZ-CD1 3.43Å; R134-I278 VanDerWaalsContact NH1-CD1 3.3Å; I278-V280 PolarHBondContact O-N 3.43Å; I278-E342 HydrophobicContact CD1-CB 3.79Å; I278-E342 HydrophobicContact CD1-CG 3.71Å; I278-E342 HydrophobicContact CG1-CB 4.25Å; I278-E342 HydrophobicContact CG2-CB 4.35Å; I278-L449 HydrophobicContact CG1-CB 4.12Å
279D93.7Very high97.2Very high67 Ų6729.8 Ų29.836%0.35816%0.163SC..THydrogen-bonded Turntrans69.10.7-175.8-56-49.1000115.7T130 G277 R339 M340T130-D279 HydrophobicContact CG2-CB 4.31Å; G277-D279 PolarHBondContact O-N 2.98Å; D279-R339 WeakPolarHBondContact O-CD 3.25Å; D279-R339 WeakPolarHBondContact O-CG 3.41Å; D279-R339 PolarHBondContact O-NE 3.47Å; D279-M340 PolarHBondContact N-O 3.04Å
280V94Very high97.2Very high40 Ų4030.8 Ų30.824%0.24217%0.167CC..  trans-73.2136.7174.7177.60000110.3A275 G277 I278 V285 R339 M340A275-V280 WeakPolarHBondContact O-CG1 3.35Å; G277-V280 VanDerWaalsContact O-CB 3.23Å; G277-V280 WeakPolarHBondContact O-CB 3.48Å; G277-V280 WeakPolarHBondContact O-CG2 3.42Å; G277-V280 PolarHBondContact O-N 2.76Å; G277-V280 VanDerWaalsContact O-N 3.09Å; I278-V280 PolarHBondContact O-N 3.43Å; V280-V285 HydrophobicContact CG1-CG2 3.72Å; V280-R339 CarbonylContact O-C 3.54Å; V280-R339 VanDerWaalsContact O-CA 3.25Å; V280-R339 WeakPolarHBondContact O-CA 3.13Å; V280-M340 PolarHBondContact O-N 3.42Å
281R95.8Very high97.2Very high81 Ų8135.3 Ų35.331%0.30619%0.187SC..BIsolated β-bridgetrans-76.5133.3174.5-59.8179-65.3178.52.6110.4C283 D284 V285 T338 R339R281-C283 VanDerWaalsContact C-N 3.25Å; R281-C283 PolarHBondContact O-N 2.86Å; R281-D284 IonicContact CZ-OD1 3.05Å; R281-D284 IonicContact CZ-OD2 3.54Å; R281-D284 IonicContact NE-OD1 3.76Å; R281-D284 IonicContact NE-OD2 3.77Å; R281-D284 PolarHBondContact NE-OD2 3.4Å; R281-D284 IonicContact NH2-OD1 3.5Å; R281-D284 PolarHBondContact NH2-OD1 2.77Å; R281-D284 IonicContact NH2-OD2 2.71Å; R281-D284 PolarHBondContact NH2-OD2 3.36Å; R281-D284 WeakPolarHBondContact O-CB 3.33Å; R281-D284 PolarHBondContact O-N 3.33Å; R281-V285 PolarHBondContact O-N 3.13Å; R281-T338 WeakPolarHBondContact CA-O 3.35Å; R281-R339 HydrophobicContact CG-CG 4.03Å
282L97.3Very high97.2Very high2 Ų235 Ų351%0.0118%0.184CC..Hα-helixtrans-57.5-37.7179.9-67174.3000112.2D284 V285 G286 K327 T328 V329 P330 T338 M340 Y346L282-D284 VanDerWaalsContact C-N 3.27Å; L282-D284 PolarHBondContact O-N 2.96Å; L282-V285 WeakPolarHBondContact O-CB 3.36Å; L282-V285 PolarHBondContact O-N 3.36Å; L282-G286 PolarHBondContact O-N 3.32Å; L282-G286 VanDerWaalsContact O-N 3.17Å; L282-K327 HydrophobicContact CD1-CB 4.2Å; L282-T328 WeakPolarHBondContact CD1-O 3.43Å; L282-V329 HydrophobicContact CD2-CG2 4Å; L282-P330 WeakPolarHBondContact O-CD 3.33Å; L282-P330 WeakPolarHBondContact O-CG 3.38Å; L282-T338 HydrophobicContact CD1-CG2 4.08Å; L282-T338 WeakPolarHBondContact CG-O 3.46Å; L282-T338 PolarHBondContact N-O 2.91Å; L282-M340 HydrophobicContact CD2-CE 3.56Å; L282-M340 HydrophobicContact CD2-CG 3.62Å; L282-M340 HydrophobicContact CD2-SD 4.42Å; L282-Y346 HydrophobicContact CD2-CE1 4.25Å
283C97.5Very high97.2Very high14 Ų1435 Ų3510%0.09518%0.184CC..Hα-helixtrans-60.4-31.4175.362.40000114.6R281 G286 A287 G335 E336R281-C283 VanDerWaalsContact C-N 3.25Å; R281-C283 PolarHBondContact O-N 2.86Å; C283-G286 PolarHBondContact O-N 3.14Å; C283-A287 PolarHBondContact O-N 3.25Å; C283-G335 WeakPolarHBondContact CB-O 3.34Å; C283-E336 VanDerWaalsContact CB-O 3.31Å; C283-E336 WeakPolarHBondContact CB-O 3.45Å; C283-E336 PolarHBondContact N-O 3.14Å; C283-E336 VanDerWaalsContact N-O 3.11Å
284D97.1Very high97.2Very high63 Ų6337.5 Ų37.534%0.33720%0.196SC..Hα-helixtrans-75.1-36.7-179.1-63.4-16.6000110.4R281 L282 A287 A288R281-D284 IonicContact CZ-OD1 3.05Å; R281-D284 IonicContact CZ-OD2 3.54Å; R281-D284 IonicContact NE-OD1 3.76Å; R281-D284 IonicContact NE-OD2 3.77Å; R281-D284 PolarHBondContact NE-OD2 3.4Å; R281-D284 IonicContact NH2-OD1 3.5Å; R281-D284 PolarHBondContact NH2-OD1 2.77Å; R281-D284 IonicContact NH2-OD2 2.71Å; R281-D284 PolarHBondContact NH2-OD2 3.36Å; R281-D284 WeakPolarHBondContact O-CB 3.33Å; R281-D284 PolarHBondContact O-N 3.33Å; L282-D284 VanDerWaalsContact C-N 3.27Å; L282-D284 PolarHBondContact O-N 2.96Å; D284-A287 PolarHBondContact O-N 2.93Å; D284-A288 PolarHBondContact O-N 3.03Å
285V97.7Very high97.2Very high0 Ų033.6 Ų33.60%019%0.19CC..Hα-helixtrans-59-48.3171.2-176.70000110A275 V280 R281 L282 A287 A288 I289 V329 M340A275-V285 HydrophobicContact CB-CG2 4.41Å; V280-V285 HydrophobicContact CG1-CG2 3.72Å; R281-V285 PolarHBondContact O-N 3.13Å; L282-V285 WeakPolarHBondContact O-CB 3.36Å; L282-V285 PolarHBondContact O-N 3.36Å; V285-A287 PolarHBondContact O-N 2.85Å; V285-A288 PolarHBondContact O-N 2.89Å; V285-I289 HydrophobicContact CG1-CD1 3.79Å; V285-I289 HydrophobicContact CG1-CG1 4.48Å; V285-I289 VanDerWaalsContact O-CG1 3.29Å; V285-I289 WeakPolarHBondContact O-CG1 3.26Å; V285-I289 PolarHBondContact O-N 3Å; V285-V329 HydrophobicContact CB-CG1 4.27Å; V285-V329 HydrophobicContact CG1-CG1 3.76Å; V285-M340 HydrophobicContact CG2-CE 4.24Å
286G98.5Very high97.4Very high0 Ų034.7 Ų34.70%019%0.187CC..Hα-helixtrans-65.2-34.3178.500000114.6L282 C283 Q290 P330 I331 V332L282-G286 PolarHBondContact O-N 3.32Å; L282-G286 VanDerWaalsContact O-N 3.17Å; C283-G286 PolarHBondContact O-N 3.14Å; G286-Q290 WeakPolarHBondContact O-CB 3.41Å; G286-Q290 PolarHBondContact O-N 2.71Å; G286-P330 WeakPolarHBondContact CA-O 3.42Å; G286-P330 PolarHBondContact N-O 3.08Å; G286-I331 CarbonylContact O-C 3.46Å; G286-V332 CarbonylContact O-C 3.57Å; G286-V332 PolarHBondContact O-N 3.03Å
287A98.5Very high97.4Very high33 Ų3341.1 Ų41.127%0.27322%0.217SC..Hα-helixtrans-65.7-44.4174.200000111.8C283 D284 V285 Q290 E291 R333C283-A287 PolarHBondContact O-N 3.25Å; D284-A287 PolarHBondContact O-N 2.93Å; V285-A287 PolarHBondContact O-N 2.85Å; A287-Q290 PolarHBondContact O-N 2.78Å; A287-E291 PolarHBondContact O-N 3.13Å; A287-R333 HydrophobicContact CB-CB 4.05Å
288A98.5Very high97.6Very high26 Ų2641.1 Ų41.122%0.21522%0.216CC..Hα-helixtrans-64.7-43.8177.900000112T271 A275 D284 V285 Q290 E291 T292T271-A288 HydrophobicContact CG2-CB 3.8Å; A275-A288 HydrophobicContact CB-CB 4.3Å; D284-A288 PolarHBondContact O-N 3.03Å; V285-A288 PolarHBondContact O-N 2.89Å; A288-Q290 PolarHBondContact O-N 2.62Å; A288-E291 PolarHBondContact O-N 2.83Å; A288-T292 PolarHBondContact O-N 2.89Å; A288-T292 VanDerWaalsContact O-N 3.09Å; A288-T292 PolarHBondContact O-OG1 2.91Å
289I98.8Very high97.7Very high1 Ų147.1 Ų47.11%0.00524%0.244CC..Hα-helixtrans-56.9-49.4175.1-72.1165.7000110.7A268 V285 T292 M293 I331 T350A268-I289 HydrophobicContact CB-CG2 4.27Å; V285-I289 HydrophobicContact CG1-CD1 3.79Å; V285-I289 HydrophobicContact CG1-CG1 4.48Å; V285-I289 VanDerWaalsContact O-CG1 3.29Å; V285-I289 WeakPolarHBondContact O-CG1 3.26Å; V285-I289 PolarHBondContact O-N 3Å; I289-T292 PolarHBondContact O-N 3.18Å; I289-M293 HydrophobicContact CG2-CE 4.44Å; I289-M293 WeakPolarHBondContact O-CB 3.44Å; I289-M293 PolarHBondContact O-N 2.98Å; I289-I331 HydrophobicContact CD1-CG2 4.32Å; I289-I331 HydrophobicContact CG2-CB 3.83Å; I289-I331 HydrophobicContact CG2-CG2 4.33Å; I289-T350 HydrophobicContact CD1-CG2 3.95Å; I289-T350 HydrophobicContact CG1-CG2 4.17Å; I289-T350 HydrophobicContact CG2-CG2 3.58Å
290Q98.8Very high97.9Very high22 Ų2244 Ų4410%0.10323%0.228CC..Hα-helixtrans-62.5-44.7-179.4177.9176.824.600112.1G286 A287 A288 T292 M293 E294 P309G286-Q290 WeakPolarHBondContact O-CB 3.41Å; G286-Q290 PolarHBondContact O-N 2.71Å; A287-Q290 PolarHBondContact O-N 2.78Å; A288-Q290 PolarHBondContact O-N 2.62Å; Q290-T292 PolarHBondContact O-N 3.35Å; Q290-M293 PolarHBondContact O-N 3.3Å; Q290-E294 HydrophobicContact CG-CG 4.03Å; Q290-E294 WeakPolarHBondContact CG-OE1 3.33Å; Q290-E294 WeakPolarHBondContact CG-OE2 3.44Å; Q290-E294 PolarHBondContact NE2-OE1 3.26Å; Q290-E294 PolarHBondContact NE2-OE2 2.74Å; Q290-E294 WeakPolarHBondContact O-CB 3.37Å; Q290-E294 WeakPolarHBondContact O-CG 3.2Å; Q290-E294 PolarHBondContact O-N 3.16Å; Q290-P309 HydrophobicContact CB-CG 4.23Å; Q290-P309 HydrophobicContact CG-CG 4.08Å
291E98.8Very high97.9Very high143 Ų14347 Ų4767%0.66824%0.243SC*.Hα-helixtrans-58.4-47.4178.7-178.9176.5-173.300111.6A287 A288 S295A287-E291 PolarHBondContact O-N 3.13Å; A288-E291 PolarHBondContact O-N 2.83Å; E291-S295 PolarHBondContact O-N 2.6Å
292T98.8Very high98Very high23 Ų2346.1 Ų46.114%0.14126%0.258CS..Hα-helixtrans-62.1-49.7175.4-62.50000111D267 A268 T271 A288 I289 Q290 E294 S295 Y296D267-T292 HydrophobicContact CB-CG2 4.03Å; D267-T292 WeakPolarHBondContact OD2-CG2 3.43Å; A268-T292 HydrophobicContact CB-CG2 4.36Å; T271-T292 WeakPolarHBondContact CG2-OG1 3.49Å; T271-T292 PolarHBondContact OG1-OG1 3.42Å; A288-T292 PolarHBondContact O-N 2.89Å; A288-T292 VanDerWaalsContact O-N 3.09Å; A288-T292 PolarHBondContact O-OG1 2.91Å; I289-T292 PolarHBondContact O-N 3.18Å; Q290-T292 PolarHBondContact O-N 3.35Å; T292-E294 PolarHBondContact O-N 3Å; T292-S295 WeakPolarHBondContact O-CB 3.18Å; T292-S295 PolarHBondContact O-N 2.86Å; T292-S295 PolarHBondContact O-OG 2.68Å; T292-Y296 HydrophobicContact CG2-CE2 4.33Å; T292-Y296 VanDerWaalsContact O-CD2 3.32Å; T292-Y296 WeakPolarHBondContact O-CD2 3.47Å
293M98.7Very high98Very high0 Ų050.2 Ų50.20%028%0.28CS..Hα-helixtrans-64.2-44.2-174.9-165.7173.8-66.900112.7V265 A268 I289 Q290 S295 Y296 V307 P309 T350 G352V265-M293 HydrophobicContact CG1-CE 4.33Å; V265-M293 HydrophobicContact CG2-CE 4.29Å; A268-M293 HydrophobicContact CB-CB 3.8Å; A268-M293 HydrophobicContact CB-CE 3.44Å; A268-M293 VanDerWaalsContact CB-CE 3.44Å; A268-M293 HydrophobicContact CB-CG 4.29Å; I289-M293 HydrophobicContact CG2-CE 4.44Å; I289-M293 WeakPolarHBondContact O-CB 3.44Å; I289-M293 PolarHBondContact O-N 2.98Å; Q290-M293 PolarHBondContact O-N 3.3Å; M293-S295 PolarHBondContact O-N 3.03Å; M293-Y296 PolarHBondContact O-N 2.99Å; M293-V307 HydrophobicContact CG-CB 4.36Å; M293-V307 HydrophobicContact CG-CG1 3.75Å; M293-V307 HydrophobicContact SD-CG1 4.25Å; M293-P309 HydrophobicContact CB-CG 4.1Å; M293-P309 HydrophobicContact CG-CG 4.26Å; M293-P309 WeakPolarHBondContact SD-CA 3.41Å; M293-P309 HydrophobicContact SD-CB 3.86Å; M293-P309 HydrophobicContact SD-CG 3.69Å; M293-T350 WeakPolarHBondContact CE-OG1 3.3Å; M293-G352 VanDerWaalsContact SD-CA 3.54Å
294E98.8Very high98Very high55 Ų5554 Ų5426%0.25730%0.303SS..Hα-helixtrans-73.7-7179.9-68.4179.1169.200113.1Q290 T292 Y296 Q306 P309Q290-E294 HydrophobicContact CG-CG 4.03Å; Q290-E294 WeakPolarHBondContact CG-OE1 3.33Å; Q290-E294 WeakPolarHBondContact CG-OE2 3.44Å; Q290-E294 PolarHBondContact NE2-OE1 3.26Å; Q290-E294 PolarHBondContact NE2-OE2 2.74Å; Q290-E294 WeakPolarHBondContact O-CB 3.37Å; Q290-E294 WeakPolarHBondContact O-CG 3.2Å; Q290-E294 PolarHBondContact O-N 3.16Å; T292-E294 PolarHBondContact O-N 3Å; E294-Y296 VanDerWaalsContact C-N 3.28Å; E294-Q306 WeakPolarHBondContact O-CG 3.21Å; E294-Q306 PolarHBondContact O-NE2 3.37Å; E294-P309 HydrophobicContact CG-CG 4.48Å
295S98.7Very high98Very high85 Ų8554.6 Ų54.659%0.59430%0.301SS*.THydrogen-bonded Turntrans-77.5-1317378.40000113.7E291 T292 M293E291-S295 PolarHBondContact O-N 2.6Å; T292-S295 WeakPolarHBondContact O-CB 3.18Å; T292-S295 PolarHBondContact O-N 2.86Å; T292-S295 PolarHBondContact O-OG 2.68Å; M293-S295 PolarHBondContact O-N 3.03Å
296Y98.7Very high98.1Very high55 Ų5559.1 Ų59.122%0.21632%0.322CS..  trans-95139.6178.8-72.9-103.5000112T260 E263 A264 D267 T292 M293 E294 V307T260-Y296 HydrophobicContact CG2-CD1 4.23Å; E263-Y296 HydrophobicContact CG-CE1 4.5Å; A264-Y296 HydrophobicContact CB-CD1 3.7Å; A264-Y296 HydrophobicContact CB-CD2 3.74Å; A264-Y296 HydrophobicContact CB-CE1 4.34Å; A264-Y296 HydrophobicContact CB-CE2 4.39Å; A264-Y296 HydrophobicContact CB-CG 3.36Å; D267-Y296 HydrophobicContact CB-CE2 4.2Å; D267-Y296 WeakPolarHBondContact OD2-CE2 3.42Å; D267-Y296 PolarHBondContact OD2-OH 2.87Å; T292-Y296 HydrophobicContact CG2-CE2 4.33Å; T292-Y296 VanDerWaalsContact O-CD2 3.32Å; T292-Y296 WeakPolarHBondContact O-CD2 3.47Å; M293-Y296 PolarHBondContact O-N 2.99Å; E294-Y296 VanDerWaalsContact C-N 3.28Å; Y296-V307 PolarHBondContact O-N 3.28Å; Y296-V307 VanDerWaalsContact O-N 3.09Å
297E98.4Very high98.1Very high137 Ų13759.1 Ų59.164%0.6432%0.322SS*.EExtended strand (participates in β ladder)trans-117.4139.4167.1-63.1-176.416400109.4T260 T304 Y305T260-E297 WeakPolarHBondContact CG2-O 3.45Å; E297-T304 HydrophobicContact CB-CG2 4.27Å; E297-Y305 CarbonylContact C-O 3.56Å; E297-Y305 WeakPolarHBondContact CA-O 3.31Å
298V97.8Very high98.1Very high3 Ų361.7 Ų61.72%0.01833%0.327CS..EExtended strand (participates in β ladder)trans-125.8138.417864.60000110.5T260 L261 L300 T304 Y305 V307 T354T260-V298 HydrophobicContact CG2-CB 4.39Å; L261-V298 HydrophobicContact CB-CG2 4.39Å; V298-L300 HydrophobicContact CG1-CD1 4.37Å; V298-L300 HydrophobicContact CG1-CG 4.39Å; V298-L300 HydrophobicContact CG2-CD1 4.46Å; V298-L300 HydrophobicContact CG2-CD2 3.93Å; V298-L300 HydrophobicContact CG2-CG 3.91Å; V298-T304 CarbonylContact O-C 3.46Å; V298-T304 WeakPolarHBondContact O-CA 3.14Å; V298-Y305 PolarHBondContact N-O 2.8Å; V298-Y305 PolarHBondContact O-N 3.02Å; V298-V307 HydrophobicContact CG1-CG2 4.2Å; V298-T354 HydrophobicContact CG1-CG2 4.03Å
299E97.7Very high98.1Very high139 Ų13960.7 Ų60.765%0.6532%0.319SS*.EExtended strand (participates in β ladder)trans-100.3116.6171.9-170.8-175.8148.500109.7N303E299-N303 CarbonylContact C-O 3.57Å; E299-N303 WeakPolarHBondContact CA-O 3.49Å
300L97.1Very high98.1Very high2 Ų260.7 Ų60.71%0.0132%0.318CS..EExtended strand (participates in β ladder)trans-127.3124.8177.6-60.2176000109.6K257 F258 V298 G302 N303 Y305 T354 Y439K257-L300 HydrophobicContact CB-CD2 4.3Å; K257-L300 HydrophobicContact CG-CD2 4.14Å; K257-L300 WeakPolarHBondContact O-CD2 3.48Å; F258-L300 HydrophobicContact CD1-CD1 4.34Å; F258-L300 HydrophobicContact CD1-CD2 3.84Å; F258-L300 HydrophobicContact CE1-CD1 4.38Å; F258-L300 HydrophobicContact CE1-CD2 4.14Å; V298-L300 HydrophobicContact CG1-CD1 4.37Å; V298-L300 HydrophobicContact CG1-CG 4.39Å; V298-L300 HydrophobicContact CG2-CD1 4.46Å; V298-L300 HydrophobicContact CG2-CD2 3.93Å; V298-L300 HydrophobicContact CG2-CG 3.91Å; L300-G302 PolarHBondContact O-N 3.29Å; L300-G302 VanDerWaalsContact O-N 3.11Å; L300-N303 PolarHBondContact N-O 2.81Å; L300-N303 PolarHBondContact O-N 2.98Å; L300-Y305 HydrophobicContact CB-CD2 4.38Å; L300-Y305 HydrophobicContact CB-CE2 4.04Å; L300-T354 HydrophobicContact CD1-CG2 3.67Å; L300-Y439 HydrophobicContact CD1-CD2 3.6Å; L300-Y439 HydrophobicContact CD1-CE2 4.11Å; L300-Y439 HydrophobicContact CD1-CG 4.41Å
301D95.1Very high98.1Very high104 Ų10465.7 Ų65.756%0.55634%0.336SS*.THydrogen-bonded Turntrans50.639.5173.6-51.3-42.4000112.7K257 N303 Y439K257-D301 IonicContact NZ-OD1 3.42Å; K257-D301 PolarHBondContact NZ-OD1 2.81Å; K257-D301 IonicContact NZ-OD2 3.14Å; K257-D301 PolarHBondContact NZ-OD2 2.99Å; D301-N303 PolarHBondContact O-ND2 2.92Å; D301-Y439 PolarHBondContact OD2-OH 3.49Å
302G95.9Very high98.1Very high62 Ų6261.3 Ų61.364%0.63932%0.318SS*.THydrogen-bonded Turntrans83.76178.400000116.1L300L300-G302 PolarHBondContact O-N 3.29Å; L300-G302 VanDerWaalsContact O-N 3.11Å
303N97.3Very high98.1Very high88 Ų8861 Ų6147%0.47132%0.315SS..EExtended strand (participates in β ladder)trans-118.1139.5177-61-79.5000110.8E299 L300 D301 Y305E299-N303 CarbonylContact C-O 3.57Å; E299-N303 WeakPolarHBondContact CA-O 3.49Å; L300-N303 PolarHBondContact N-O 2.81Å; L300-N303 PolarHBondContact O-N 2.98Å; D301-N303 PolarHBondContact O-ND2 2.92Å; N303-Y305 HydrophobicContact CB-CD2 4.42Å; N303-Y305 HydrophobicContact CB-CE2 3.51Å; N303-Y305 WeakPolarHBondContact CB-OH 3.29Å; N303-Y305 WeakPolarHBondContact O-CD2 3.33Å; N303-Y305 WeakPolarHBondContact O-CE2 3.46Å
304T98.1Very high98.1Very high92 Ų9263.5 Ų63.556%0.56433%0.328SS*.EExtended strand (participates in β ladder)trans-94.7134.2174.2-50.70000110.5E297 V298E297-T304 HydrophobicContact CB-CG2 4.27Å; V298-T304 CarbonylContact O-C 3.46Å; V298-T304 WeakPolarHBondContact O-CA 3.14Å
305Y98.4Very high98.1Very high76 Ų7660.9 Ų60.930%0.29832%0.317SS..EExtended strand (participates in β ladder)trans-127.8130.6178.5-55-92000109.7E297 V298 L300 N303 T354E297-Y305 CarbonylContact C-O 3.56Å; E297-Y305 WeakPolarHBondContact CA-O 3.31Å; V298-Y305 PolarHBondContact N-O 2.8Å; V298-Y305 PolarHBondContact O-N 3.02Å; L300-Y305 HydrophobicContact CB-CD2 4.38Å; L300-Y305 HydrophobicContact CB-CE2 4.04Å; N303-Y305 HydrophobicContact CB-CD2 4.42Å; N303-Y305 HydrophobicContact CB-CE2 3.51Å; N303-Y305 WeakPolarHBondContact CB-OH 3.29Å; N303-Y305 WeakPolarHBondContact O-CD2 3.33Å; N303-Y305 WeakPolarHBondContact O-CE2 3.46Å; Y305-T354 WeakPolarHBondContact CD1-O 3.37Å; Y305-T354 HydrophobicContact CD2-CG2 4.33Å; Y305-T354 HydrophobicContact CG-CG2 4.15Å
306Q98.6Very high98.1Very high96 Ų9657 Ų5745%0.44929%0.289SS..EExtended strand (participates in β ladder)trans-71131157.9-174.1-179.738.700108.3E294 K308E294-Q306 WeakPolarHBondContact O-CG 3.21Å; E294-Q306 PolarHBondContact O-NE2 3.37Å; Q306-K308 PolarHBondContact O-N 3.44Å
307V98.8Very high98.1Very high0 Ų054.7 Ų54.70%028%0.281CS..  trans-70.6124.1179.6-175.90000109.2L261 A264 M293 Y296 V298L261-V307 HydrophobicContact CD1-CG1 3.79Å; L261-V307 HydrophobicContact CD1-CG2 4.09Å; A264-V307 HydrophobicContact CB-CB 4.35Å; A264-V307 HydrophobicContact CB-CG1 4.27Å; A264-V307 HydrophobicContact CB-CG2 3.99Å; M293-V307 HydrophobicContact CG-CB 4.36Å; M293-V307 HydrophobicContact CG-CG1 3.75Å; M293-V307 HydrophobicContact SD-CG1 4.25Å; Y296-V307 PolarHBondContact O-N 3.28Å; Y296-V307 VanDerWaalsContact O-N 3.09Å; V298-V307 HydrophobicContact CG1-CG2 4.2Å
308K98.8Very high98.1Very high86 Ų8648.6 Ų48.637%0.37425%0.253SS..EExtended strand (participates in β ladder)trans-106.6132.5-177.8-63.8174.7-167.4162.50110.9Q306 G352 S353 G355Q306-K308 PolarHBondContact O-N 3.44Å; K308-G352 CarbonylContact O-C 3.47Å; K308-G352 WeakPolarHBondContact O-CA 3.48Å; K308-S353 PolarHBondContact N-O 3.33Å; K308-S353 PolarHBondContact O-N 3.1Å; K308-G355 PolarHBondContact NZ-O 2.88Å; K308-G355 VanDerWaalsContact NZ-O 3.13Å
309P98.8Very high98.1Very high6 Ų649 Ų494%0.03926%0.258CS..EExtended strand (participates in β ladder)trans-60.2140.2165.5-18.328.7000111.1Q290 M293 E294 R311 I331 V332 F351Q290-P309 HydrophobicContact CB-CG 4.23Å; Q290-P309 HydrophobicContact CG-CG 4.08Å; M293-P309 HydrophobicContact CB-CG 4.1Å; M293-P309 HydrophobicContact CG-CG 4.26Å; M293-P309 WeakPolarHBondContact SD-CA 3.41Å; M293-P309 HydrophobicContact SD-CB 3.86Å; M293-P309 HydrophobicContact SD-CG 3.69Å; E294-P309 HydrophobicContact CG-CG 4.48Å; P309-R311 PolarHBondContact O-N 2.78Å; P309-I331 HydrophobicContact CB-CD1 4.04Å; P309-I331 HydrophobicContact CB-CG1 3.97Å; P309-I331 WeakPolarHBondContact CB-O 3.32Å; P309-V332 HydrophobicContact CB-CG1 3.78Å; P309-V332 HydrophobicContact CG-CG1 4.25Å; P309-F351 CarbonylContact C-O 3.38Å; P309-F351 WeakPolarHBondContact CA-O 3.17Å
310I98.9Very high98.1Very high0 Ų045.5 Ų45.50%025%0.247CC..  trans-76.292.8171.2-56.3-173.9000108.9A214 N312 L313 I331 F351 V359 T440A214-I310 HydrophobicContact CB-CD1 3.65Å; I310-N312 PolarHBondContact O-N 3.25Å; I310-L313 HydrophobicContact CB-CB 4.36Å; I310-L313 HydrophobicContact CB-CD1 4.12Å; I310-L313 HydrophobicContact CB-CG 4.31Å; I310-L313 HydrophobicContact CD1-CD1 4.12Å; I310-L313 HydrophobicContact CG2-CB 4.21Å; I310-L313 HydrophobicContact CG2-CD1 3.79Å; I310-L313 HydrophobicContact CG2-CG 3.74Å; I310-L313 PolarHBondContact O-N 3.09Å; I310-I331 WeakPolarHBondContact O-CD1 3.23Å; I310-F351 HydrophobicContact CB-CB 3.96Å; I310-F351 HydrophobicContact CD1-CB 3.75Å; I310-F351 HydrophobicContact CG1-CB 3.82Å; I310-F351 PolarHBondContact N-O 3.33Å; I310-V359 HydrophobicContact CD1-CG1 4.01Å; I310-V359 HydrophobicContact CG2-CB 4.26Å; I310-V359 HydrophobicContact CG2-CG1 3.61Å; I310-V359 HydrophobicContact CG2-CG2 3.99Å; I310-T440 HydrophobicContact CD1-CG2 3.85Å
311R98.5Very high98.2Very high127 Ų12748 Ų4848%0.47926%0.257SS..THydrogen-bonded Turntrans-61.1-14.6-165.271.8-173.6168.8-89.30.9116.7P309 V332 K356 G357 Y358P309-R311 PolarHBondContact O-N 2.78Å; R311-V332 HydrophobicContact CB-CG1 3.82Å; R311-V332 HydrophobicContact CB-CG2 4.13Å; R311-K356 PolarHBondContact NH1-O 3.26Å; R311-G357 WeakPolarHBondContact CG-O 3.29Å; R311-G357 PolarHBondContact N-O 3.33Å; R311-G357 PolarHBondContact NH1-O 3.08Å; R311-Y358 HydrophobicContact CG-CD2 3.85Å
312N98.5Very high98.4Very high52 Ų5245 Ų4528%0.27824%0.239SC..THydrogen-bonded Turntrans-109.916.817668.1-46.4000113.6I310 Y358 V359I310-N312 PolarHBondContact O-N 3.25Å; N312-Y358 HydrophobicContact CB-CD2 3.96Å; N312-Y358 HydrophobicContact CB-CE2 3.65Å; N312-Y358 WeakPolarHBondContact OD1-CA 3.3Å; N312-Y358 WeakPolarHBondContact OD1-CD2 3.3Å; N312-V359 WeakPolarHBondContact ND2-CG2 3.36Å; N312-V359 PolarHBondContact ND2-O 3.06Å; N312-V359 WeakPolarHBondContact OD1-CG2 3.02Å; N312-V359 PolarHBondContact OD1-N 3.25Å
313L98.6Very high98.5Very high16 Ų1642.6 Ų42.68%0.08421%0.211CC..  trans-111.1153.4161.5-66.6-179.1000109.3A214 I310 I331 F351 V359 L432A214-L313 HydrophobicContact CB-CD1 3.81Å; I310-L313 HydrophobicContact CB-CB 4.36Å; I310-L313 HydrophobicContact CB-CD1 4.12Å; I310-L313 HydrophobicContact CB-CG 4.31Å; I310-L313 HydrophobicContact CD1-CD1 4.12Å; I310-L313 HydrophobicContact CG2-CB 4.21Å; I310-L313 HydrophobicContact CG2-CD1 3.79Å; I310-L313 HydrophobicContact CG2-CG 3.74Å; I310-L313 PolarHBondContact O-N 3.09Å; L313-I331 WeakPolarHBondContact O-CG1 3.36Å; L313-F351 HydrophobicContact CB-CD2 3.56Å; L313-F351 HydrophobicContact CB-CE2 3.86Å; L313-F351 HydrophobicContact CB-CG 4.25Å; L313-F351 HydrophobicContact CD1-CB 4.07Å; L313-F351 HydrophobicContact CD1-CD1 3.73Å; L313-F351 HydrophobicContact CD1-CD2 3.6Å; L313-F351 HydrophobicContact CD1-CE1 3.96Å; L313-F351 HydrophobicContact CD1-CE2 3.85Å; L313-F351 HydrophobicContact CD1-CG 3.53Å; L313-F351 HydrophobicContact CD1-CZ 4.01Å; L313-F351 HydrophobicContact CG-CD2 4.22Å; L313-F351 HydrophobicContact CG-CE2 4.39Å; L313-V359 HydrophobicContact CD1-CG1 4.25Å; L313-V359 HydrophobicContact CD1-CG2 4.23Å; L313-V359 HydrophobicContact CD2-CG2 3.85Å; L313-V359 HydrophobicContact CG-CG2 3.8Å; L313-L432 HydrophobicContact CD2-CD1 3.54Å
314N98.3Very high98.5Very high52 Ų5242.1 Ų42.128%0.27821%0.206SC..EExtended strand (participates in β ladder)trans-156.1147.4-166-54.2101.2000108.8V329N314-V329 CarbonylContact C-O 3.6Å; N314-V329 WeakPolarHBondContact CA-O 3.4Å; N314-V329 WeakPolarHBondContact CB-O 3.49Å
315G98.7Very high98.5Very high1 Ų139.4 Ų39.41%0.0119%0.193CC..EExtended strand (participates in β ladder)trans-70.1178159.100000111.5T328 V329 A347 E349G315-T328 CarbonylContact O-C 3.49Å; G315-T328 WeakPolarHBondContact O-CA 3.22Å; G315-V329 PolarHBondContact N-O 3.12Å; G315-V329 PolarHBondContact O-N 2.9Å; G315-A347 CarbonylContact C-O 3.57Å; G315-A347 VanDerWaalsContact CA-O 3.25Å; G315-A347 WeakPolarHBondContact CA-O 3.43Å; G315-E349 VanDerWaalsContact CA-CG 3.45Å
316H98.8Very high98.4Very high4 Ų439.1 Ų39.12%0.01921%0.213CC..EExtended strand (participates in β ladder)trans-154.8156.2-173.753.982.9000113.5D247 I323 H324 K327 Y346 A347 E349D247-H316 IonicContact OD2-CE1 2.68Å; D247-H316 PolarHBondContact OD2-CE1 3.49Å; D247-H316 VanDerWaalsContact OD2-CE1 3.26Å; D247-H316 IonicContact OD2-NE2 2.8Å; D247-H316 PolarHBondContact OD2-NE2 2.97Å; H316-I323 PolarHBondContact CE1-O 3.41Å; H316-I323 PolarHBondContact ND1-O 3.09Å; H316-H324 AromaticContact CD2-CD2 3.58Å; H316-H324 AromaticContact CD2-CE1 4Å; H316-H324 AromaticContact CD2-NE2 3.34Å; H316-H324 PolarHBondContact CD2-NE2 3.4Å; H316-H324 VanDerWaalsContact CD2-NE2 3.34Å; H316-H324 AromaticContact CG-CD2 3.5Å; H316-H324 VanDerWaalsContact CG-CD2 3.5Å; H316-H324 AromaticContact CG-NE2 3.79Å; H316-H324 AromaticContact NE2-CE1 3.95Å; H316-H324 AromaticContact NE2-NE2 3.75Å; H316-K327 CarbonylContact C-O 3.59Å; H316-K327 VanDerWaalsContact CA-O 3.31Å; H316-K327 WeakPolarHBondContact CA-O 3.46Å; H316-Y346 CarbonylContact O-C 3.56Å; H316-Y346 VanDerWaalsContact O-CA 3.31Å; H316-Y346 WeakPolarHBondContact O-CA 3.44Å; H316-A347 VanDerWaalsContact CE1-CB 3.47Å; H316-A347 WeakPolarHBondContact CE1-CB 3.44Å; H316-A347 PolarHBondContact N-O 3.33Å; H316-A347 PolarHBondContact O-N 3.24Å; H316-E349 IonicContact CD2-OE1 3.55Å; H316-E349 PolarHBondContact CD2-OE1 2.83Å; H316-E349 IonicContact NE2-OE1 3.32Å
317S98.7Very high98.4Very high5 Ų536.2 Ų36.24%0.03520%0.199CC..EExtended strand (participates in β ladder)trans-70.9146.5167.356.10000110.8A325 G326 K327 Y345S317-A325 WeakPolarHBondContact O-CB 3.25Å; S317-A325 PolarHBondContact O-N 3.34Å; S317-G326 PolarHBondContact OG-N 2.93Å; S317-K327 PolarHBondContact N-O 3.07Å; S317-K327 PolarHBondContact OG-N 3.03Å; S317-K327 PolarHBondContact OG-O 3.37Å; S317-Y345 CarbonylContact C-O 3.55Å; S317-Y345 VanDerWaalsContact CA-O 3.28Å; S317-Y345 WeakPolarHBondContact CA-O 3.35Å
318L98.8Very high98.3Very high10 Ų1039.4 Ų39.45%0.05222%0.219CC..EExtended strand (participates in β ladder)trans-109141.7178-64.8158.7000110.9I245 D247 I323 Y345 A347 T446I245-L318 HydrophobicContact CB-CD2 4.36Å; I245-L318 HydrophobicContact CG2-CD2 4.37Å; D247-L318 HydrophobicContact CB-CD2 4.29Å; L318-I323 HydrophobicContact CD2-CD1 3.78Å; L318-I323 WeakPolarHBondContact CD2-O 3.42Å; L318-Y345 PolarHBondContact N-O 3.41Å; L318-A347 HydrophobicContact CD1-CB 4.27Å; L318-A347 HydrophobicContact CG-CB 4.41Å; L318-T446 HydrophobicContact CD1-CG2 3.65Å
319G98.3Very high98.3Very high12 Ų1235.4 Ų35.412%0.12420%0.201CC..BIsolated β-bridgetrans-129.6169.8177.100000111.8Y321 Q322G319-Y321 PolarHBondContact O-N 3.38Å; G319-Y321 VanDerWaalsContact O-N 3.12Å; G319-Q322 PolarHBondContact N-O 2.93Å; G319-Q322 PolarHBondContact O-N 2.75Å; G319-Q322 VanDerWaalsContact O-N 3.07Å
320P98.2Very high98.3Very high65 Ų6535.5 Ų35.542%0.42220%0.202SC..THydrogen-bonded Turntrans-62.3116.6177.226.6-32.4000110.5G243 Q322G243-P320 WeakPolarHBondContact O-CA 3.48Å; P320-Q322 PolarHBondContact O-N 3.03Å
321Y98.6Very high98.3Very high55 Ų5535.5 Ų35.522%0.21620%0.202CC..THydrogen-bonded Turntrans57.922.1-174.4-55.2-85.7000114.2L198 N242 G243 G319 T397 L398L198-Y321 HydrophobicContact CB-CE1 4.27Å; L198-Y321 VanDerWaalsContact O-CE1 3.27Å; L198-Y321 WeakPolarHBondContact O-CE1 3Å; L198-Y321 PolarHBondContact O-OH 2.83Å; N242-Y321 VanDerWaalsContact C-CZ 3.45Å; N242-Y321 VanDerWaalsContact C-OH 3.31Å; N242-Y321 WeakPolarHBondContact CA-OH 3.03Å; G243-Y321 VanDerWaalsContact N-CZ 3.29Å; G243-Y321 PolarHBondContact N-OH 2.86Å; G243-Y321 PolarHBondContact O-N 2.74Å; G319-Y321 PolarHBondContact O-N 3.38Å; G319-Y321 VanDerWaalsContact O-N 3.12Å; Y321-T397 WeakPolarHBondContact CB-OG1 3.2Å; Y321-T397 WeakPolarHBondContact O-CB 2.82Å; Y321-T397 PolarHBondContact O-OG1 3.37Å; Y321-L398 HydrophobicContact CD1-CD1 4.06Å; Y321-L398 HydrophobicContact CD1-CD2 4.26Å; Y321-L398 HydrophobicContact CD1-CG 4.06Å
322Q98.6Very high98.3Very high40 Ų4030.8 Ų30.819%0.18719%0.187CC..BIsolated β-bridgetrans-133.599.2-175.9-172178.912.800109G319 P320 H324 A325 F372G319-Q322 PolarHBondContact N-O 2.93Å; G319-Q322 PolarHBondContact O-N 2.75Å; G319-Q322 VanDerWaalsContact O-N 3.07Å; P320-Q322 PolarHBondContact O-N 3.03Å; Q322-H324 VanDerWaalsContact C-N 3.33Å; Q322-H324 WeakPolarHBondContact CG-O 3.25Å; Q322-H324 PolarHBondContact NE2-O 2.86Å; Q322-H324 VanDerWaalsContact NE2-O 3.15Å; Q322-H324 PolarHBondContact O-N 3.26Å; Q322-A325 HydrophobicContact CG-CB 4.42Å; Q322-F372 HydrophobicContact CB-CD2 3.89Å; Q322-F372 HydrophobicContact CB-CE2 3.79Å; Q322-F372 HydrophobicContact CB-CZ 4.43Å; Q322-F372 HydrophobicContact CG-CD2 3.87Å; Q322-F372 HydrophobicContact CG-CE2 4.16Å; Q322-F372 HydrophobicContact CG-CG 4.14Å
323I98.6Very high98.2Very high12 Ų1235.6 Ų35.66%0.06220%0.202CC..SBendtrans-63-39.8-178.4-169.370.8000111.4F204 I245 D247 H316 L318 M369F204-I323 HydrophobicContact CD1-CD1 3.54Å; F204-I323 HydrophobicContact CD1-CG1 4.19Å; F204-I323 HydrophobicContact CE1-CD1 3.57Å; F204-I323 HydrophobicContact CE1-CG1 4.49Å; I245-I323 HydrophobicContact CD1-CB 4.29Å; I245-I323 HydrophobicContact CD1-CD1 4.19Å; I245-I323 HydrophobicContact CG2-CD1 3.59Å; D247-I323 HydrophobicContact CB-CD1 4.2Å; D247-I323 VanDerWaalsContact OD2-CD1 3.25Å; D247-I323 WeakPolarHBondContact OD2-CD1 3.09Å; H316-I323 PolarHBondContact CE1-O 3.41Å; H316-I323 PolarHBondContact ND1-O 3.09Å; L318-I323 HydrophobicContact CD2-CD1 3.78Å; L318-I323 WeakPolarHBondContact CD2-O 3.42Å; I323-M369 HydrophobicContact CG2-CE 3.85Å; I323-M369 HydrophobicContact CG2-SD 3.46Å; I323-M369 WeakPolarHBondContact CG2-SD 3.31Å
324H97.4Very high98Very high78 Ų7838.6 Ų38.636%0.36124%0.236SC..  trans-111.699.3172.4-66.482.8000111.2H316 Q322 G326H316-H324 AromaticContact CD2-CD2 3.58Å; H316-H324 AromaticContact CD2-CE1 4Å; H316-H324 AromaticContact CD2-NE2 3.34Å; H316-H324 PolarHBondContact CD2-NE2 3.4Å; H316-H324 VanDerWaalsContact CD2-NE2 3.34Å; H316-H324 AromaticContact CG-CD2 3.5Å; H316-H324 VanDerWaalsContact CG-CD2 3.5Å; H316-H324 AromaticContact CG-NE2 3.79Å; H316-H324 AromaticContact NE2-CE1 3.95Å; H316-H324 AromaticContact NE2-NE2 3.75Å; Q322-H324 VanDerWaalsContact C-N 3.33Å; Q322-H324 WeakPolarHBondContact CG-O 3.25Å; Q322-H324 PolarHBondContact NE2-O 2.86Å; Q322-H324 VanDerWaalsContact NE2-O 3.15Å; Q322-H324 PolarHBondContact O-N 3.26Å; H324-G326 VanDerWaalsContact C-N 3.34Å; H324-G326 PolarHBondContact O-N 2.86Å
325A97.3Very high97.5Very high35 Ų3537.7 Ų37.729%0.28924%0.239SC..  trans-88.112.2-175.900000115.6S317 Q322S317-A325 WeakPolarHBondContact O-CB 3.25Å; S317-A325 PolarHBondContact O-N 3.34Å; Q322-A325 HydrophobicContact CG-CB 4.42Å
326G96.3Very high97.1Very high70 Ų7043.7 Ų43.772%0.72227%0.267SS*.SBendtrans110.4-23.3165.900000116.4S317 H324S317-G326 PolarHBondContact OG-N 2.93Å; H324-G326 VanDerWaalsContact C-N 3.34Å; H324-G326 PolarHBondContact O-N 2.86Å
327K98.3Very high96.9Very high34 Ų3450 Ų5015%0.14830%0.296CS..  trans-93.4134.7170.7-65.8-178.8179.61780110.3L282 H316 S317 T338 R339 E341 E344 Y346L282-K327 HydrophobicContact CD1-CB 4.2Å; H316-K327 CarbonylContact C-O 3.59Å; H316-K327 VanDerWaalsContact CA-O 3.31Å; H316-K327 WeakPolarHBondContact CA-O 3.46Å; S317-K327 PolarHBondContact N-O 3.07Å; S317-K327 PolarHBondContact OG-N 3.03Å; S317-K327 PolarHBondContact OG-O 3.37Å; K327-T338 HydrophobicContact CD-CG2 4.18Å; K327-T338 HydrophobicContact CG-CG2 4.42Å; K327-R339 PolarHBondContact NZ-O 2.7Å; K327-E341 IonicContact NZ-OE1 3.85Å; K327-E341 PolarHBondContact NZ-OE1 2.87Å; K327-E344 WeakPolarHBondContact CD-OE1 3.44Å; K327-E344 WeakPolarHBondContact CE-OE1 3.19Å; K327-E344 IonicContact NZ-OE1 2.75Å; K327-E344 PolarHBondContact NZ-OE1 3.2Å; K327-E344 IonicContact NZ-OE2 2.92Å; K327-E344 PolarHBondContact NZ-OE2 3.1Å; K327-Y346 HydrophobicContact CB-CE1 4.24Å; K327-Y346 WeakPolarHBondContact CD-OH 3.39Å
328T98.1Very high96.8Very high68 Ų6852.2 Ų52.242%0.41731%0.31SS..EExtended strand (participates in β ladder)trans-108.5131.1176.256.80000110.9L282 G315 P330L282-T328 WeakPolarHBondContact CD1-O 3.43Å; G315-T328 CarbonylContact O-C 3.49Å; G315-T328 WeakPolarHBondContact O-CA 3.22Å; T328-P330 WeakPolarHBondContact O-CD 3.5Å
329V98.5Very high96.7Very high1 Ų158 Ų581%0.00633%0.331CS..EExtended strand (participates in β ladder)trans-90.7105.9174.3-171.50000108.2L282 V285 N314 G315 M340 Y346 I348L282-V329 HydrophobicContact CD2-CG2 4Å; V285-V329 HydrophobicContact CB-CG1 4.27Å; V285-V329 HydrophobicContact CG1-CG1 3.76Å; N314-V329 CarbonylContact C-O 3.6Å; N314-V329 WeakPolarHBondContact CA-O 3.4Å; N314-V329 WeakPolarHBondContact CB-O 3.49Å; G315-V329 PolarHBondContact N-O 3.12Å; G315-V329 PolarHBondContact O-N 2.9Å; V329-M340 HydrophobicContact CG1-CE 4.29Å; V329-M340 HydrophobicContact CG2-CE 3.98Å; V329-Y346 HydrophobicContact CG2-CD1 3.48Å; V329-Y346 VanDerWaalsContact CG2-CD1 3.48Å; V329-Y346 HydrophobicContact CG2-CE1 3.83Å; V329-Y346 HydrophobicContact CG2-CG 4.46Å; V329-I348 HydrophobicContact CG1-CD1 4.17Å; V329-I348 HydrophobicContact CG2-CD1 4.07Å
330P98.4Very high96.6Very high9 Ų957.5 Ų57.56%0.05833%0.325CS..EExtended strand (participates in β ladder)trans-65.5152.3179.430.3-34.8000110.9L282 G286 T328L282-P330 WeakPolarHBondContact O-CD 3.33Å; L282-P330 WeakPolarHBondContact O-CG 3.38Å; G286-P330 WeakPolarHBondContact CA-O 3.42Å; G286-P330 PolarHBondContact N-O 3.08Å; T328-P330 WeakPolarHBondContact O-CD 3.5Å
331I98.6Very high96.6Very high0 Ų059.5 Ų59.50%033%0.329CS..SBendtrans-110.311.6171.970.8175.4000112G286 I289 P309 I310 L313 E349 T350 F351G286-I331 CarbonylContact O-C 3.46Å; I289-I331 HydrophobicContact CD1-CG2 4.32Å; I289-I331 HydrophobicContact CG2-CB 3.83Å; I289-I331 HydrophobicContact CG2-CG2 4.33Å; P309-I331 HydrophobicContact CB-CD1 4.04Å; P309-I331 HydrophobicContact CB-CG1 3.97Å; P309-I331 WeakPolarHBondContact CB-O 3.32Å; I310-I331 WeakPolarHBondContact O-CD1 3.23Å; L313-I331 WeakPolarHBondContact O-CG1 3.36Å; I331-E349 WeakPolarHBondContact CG2-O 3.26Å; I331-T350 HydrophobicContact CG2-CG2 4.14Å; I331-F351 HydrophobicContact CD1-CB 4.37Å; I331-F351 HydrophobicContact CD1-CD2 4.49Å
332V98.5Very high96.5Very high27 Ų2758.6 Ų58.616%0.16433%0.327CS..SBendtrans-136.5155.6175.5-64.80000110.4G286 P309 R311G286-V332 CarbonylContact O-C 3.57Å; G286-V332 PolarHBondContact O-N 3.03Å; P309-V332 HydrophobicContact CB-CG1 3.78Å; P309-V332 HydrophobicContact CG-CG1 4.25Å; R311-V332 HydrophobicContact CB-CG1 3.82Å; R311-V332 HydrophobicContact CB-CG2 4.13Å
333R97.3Very high96.4Very high154 Ų15458.7 Ų58.758%0.58133%0.329SS*.THydrogen-bonded Turntrans-62.4154172.674.2-171.372.1-164.73.7111.7A287A287-R333 HydrophobicContact CB-CB 4.05Å
334G93.6Very high96.4Very high78 Ų7860.1 Ų60.180%0.80434%0.335SS*.THydrogen-bonded Turntrans94.69.1172.500000115.9
335G87.6Confident96.4Very high33 Ų3357.2 Ų57.234%0.3432%0.321SS..  trans-71.4-172.9173.900000114.3C283C283-G335 WeakPolarHBondContact CB-O 3.34Å
336E90.3Very high96.5Very high127 Ų12755.6 Ų55.659%0.59331%0.307SS*.  trans-65.6148.9178.4-60.6-171.5165.300113C283 T338C283-E336 VanDerWaalsContact CB-O 3.31Å; C283-E336 WeakPolarHBondContact CB-O 3.45Å; C283-E336 PolarHBondContact N-O 3.14Å; C283-E336 VanDerWaalsContact N-O 3.11Å; E336-T338 PolarHBondContact O-N 3.39Å; E336-T338 PolarHBondContact OE2-OG1 3.23Å
337Q94.6Very high96.6Very high136 Ų13652.2 Ų52.264%0.63627%0.273SS*.  trans-84.39.2174.5-60.4-168.733.200113.4
338T96.9Very high96.7Very high52 Ų5250.7 Ų50.732%0.31927%0.266SS..PPolyproline II helixtrans-52.1138.6173.5-57.20000109.7R281 L282 K327 E336R281-T338 WeakPolarHBondContact CA-O 3.35Å; L282-T338 HydrophobicContact CD1-CG2 4.08Å; L282-T338 WeakPolarHBondContact CG-O 3.46Å; L282-T338 PolarHBondContact N-O 2.91Å; K327-T338 HydrophobicContact CD-CG2 4.18Å; K327-T338 HydrophobicContact CG-CG2 4.42Å; E336-T338 PolarHBondContact O-N 3.39Å; E336-T338 PolarHBondContact OE2-OG1 3.23Å
339R96.7Very high96.7Very high133 Ų13348.3 Ų48.350%0.50225%0.25SS..BIsolated β-bridgetrans-98.4148.9-179.3-72.8-179167.491.1-1.6111.7D279 V280 R281 K327D279-R339 WeakPolarHBondContact O-CD 3.25Å; D279-R339 WeakPolarHBondContact O-CG 3.41Å; D279-R339 PolarHBondContact O-NE 3.47Å; V280-R339 CarbonylContact O-C 3.54Å; V280-R339 VanDerWaalsContact O-CA 3.25Å; V280-R339 WeakPolarHBondContact O-CA 3.13Å; R281-R339 HydrophobicContact CG-CG 4.03Å; K327-R339 PolarHBondContact NZ-O 2.7Å
340M97.5Very high96.7Very high0 Ų048.2 Ų48.20%025%0.25CC..PPolyproline II helixtrans-73.5139.6165.5-62.1-177.716300109.7A276 G277 D279 V280 L282 V285 V329 Y346 I348 L449A276-M340 HydrophobicContact CB-CE 3.85Å; A276-M340 HydrophobicContact CB-SD 3.77Å; G277-M340 VanDerWaalsContact O-CB 3.32Å; G277-M340 WeakPolarHBondContact O-CB 3.31Å; D279-M340 PolarHBondContact N-O 3.04Å; V280-M340 PolarHBondContact O-N 3.42Å; L282-M340 HydrophobicContact CD2-CE 3.56Å; L282-M340 HydrophobicContact CD2-CG 3.62Å; L282-M340 HydrophobicContact CD2-SD 4.42Å; V285-M340 HydrophobicContact CG2-CE 4.24Å; V329-M340 HydrophobicContact CG1-CE 4.29Å; V329-M340 HydrophobicContact CG2-CE 3.98Å; M340-Y346 HydrophobicContact CB-CE2 3.98Å; M340-Y346 HydrophobicContact CE-CD1 4.24Å; M340-Y346 HydrophobicContact CE-CD2 4.38Å; M340-Y346 HydrophobicContact CE-CE1 4.26Å; M340-Y346 HydrophobicContact CE-CE2 4.4Å; M340-Y346 HydrophobicContact CE-CG 4.28Å; M340-Y346 HydrophobicContact CG-CE1 4.47Å; M340-Y346 HydrophobicContact CG-CE2 3.79Å; M340-Y346 HydrophobicContact SD-CD2 4.43Å; M340-Y346 HydrophobicContact SD-CE2 4.22Å; M340-I348 HydrophobicContact CE-CD1 4.11Å; M340-L449 HydrophobicContact CB-CD1 3.7Å; M340-L449 HydrophobicContact CG-CD1 4.39Å; M340-L449 HydrophobicContact SD-CD1 4.15Å
341E96.8Very high96.8Very high107 Ų10747.9 Ų47.950%0.525%0.247SC..  trans-115.3159.1-174.2-63173.7-123.700111.7K327 E344K327-E341 IonicContact NZ-OE1 3.85Å; K327-E341 PolarHBondContact NZ-OE1 2.87Å; E341-E344 HydrophobicContact CB-CG 4.03Å; E341-E344 WeakPolarHBondContact CB-OE2 3.46Å; E341-E344 PolarHBondContact N-OE2 2.75Å; E341-E344 WeakPolarHBondContact O-CB 3.27Å; E341-E344 PolarHBondContact O-N 2.92Å
342E96.3Very high96.8Very high37 Ų3747.9 Ų47.917%0.17325%0.247CC..THydrogen-bonded Turntrans-64140.1175.7-169.1-170.499.800111.4R134 R143 I278 E344 P451R134-E342 IonicContact CZ-OE2 3.48Å; R134-E342 IonicContact NH1-OE2 2.86Å; R134-E342 PolarHBondContact NH1-OE2 3.02Å; R134-E342 IonicContact NH2-OE2 3.58Å; R134-E342 PolarHBondContact NH2-OE2 2.92Å; R134-E342 VanDerWaalsContact NH2-OE2 3.14Å; R143-E342 IonicContact CZ-OE1 2.74Å; R143-E342 VanDerWaalsContact CZ-OE1 3.31Å; R143-E342 IonicContact CZ-OE2 3.25Å; R143-E342 VanDerWaalsContact CZ-OE2 3.25Å; R143-E342 IonicContact NE-OE1 2.77Å; R143-E342 IonicContact NH1-OE1 2.7Å; R143-E342 PolarHBondContact NH1-OE1 3.5Å; R143-E342 IonicContact NH1-OE2 3.24Å; R143-E342 PolarHBondContact NH1-OE2 3.31Å; R143-E342 IonicContact NH2-OE1 3.4Å; R143-E342 IonicContact NH2-OE2 2.77Å; R143-E342 PolarHBondContact NH2-OE2 2.91Å; I278-E342 HydrophobicContact CD1-CB 3.79Å; I278-E342 HydrophobicContact CD1-CG 3.71Å; I278-E342 HydrophobicContact CG1-CB 4.25Å; I278-E342 HydrophobicContact CG2-CB 4.35Å; E342-E344 PolarHBondContact O-N 2.75Å; E342-P451 HydrophobicContact CG-CB 4.3Å; E342-P451 HydrophobicContact CG-CG 4.05Å; E342-P451 WeakPolarHBondContact OE1-CG 3.39Å
343N97Very high96.8Very high42 Ų4246.6 Ų46.623%0.22524%0.24CC..THydrogen-bonded Turntrans67.912.3-176-48.6-63.8000114.5L449 P451N343-L449 WeakPolarHBondContact CA-O 3.46Å; N343-L449 PolarHBondContact N-O 3.31Å; N343-P451 WeakPolarHBondContact OD1-CD 3.38Å; N343-P451 WeakPolarHBondContact OD1-CG 2.96Å
344E98.4Very high96.8Very high42 Ų4239.7 Ų39.720%0.19621%0.214CC..  trans-79.8153162.1-65.8-172.6138.100111.2K327 E341 E342 Y346 L449K327-E344 WeakPolarHBondContact CD-OE1 3.44Å; K327-E344 WeakPolarHBondContact CE-OE1 3.19Å; K327-E344 IonicContact NZ-OE1 2.75Å; K327-E344 PolarHBondContact NZ-OE1 3.2Å; K327-E344 IonicContact NZ-OE2 2.92Å; K327-E344 PolarHBondContact NZ-OE2 3.1Å; E341-E344 HydrophobicContact CB-CG 4.03Å; E341-E344 WeakPolarHBondContact CB-OE2 3.46Å; E341-E344 PolarHBondContact N-OE2 2.75Å; E341-E344 WeakPolarHBondContact O-CB 3.27Å; E341-E344 PolarHBondContact O-N 2.92Å; E342-E344 PolarHBondContact O-N 2.75Å; E344-Y346 HydrophobicContact CB-CD2 4.24Å; E344-Y346 HydrophobicContact CB-CE2 3.63Å; E344-Y346 PolarHBondContact OE2-OH 3.15Å; E344-L449 WeakPolarHBondContact O-CB 3.45Å; E344-L449 PolarHBondContact O-N 3.47Å
345Y98.7Very high97.1Very high17 Ų1736.1 Ų36.17%0.06718%0.178CC..EExtended strand (participates in β ladder)trans-121.9139.9177.8-44.7-57.2000107.3I150 Y151 F154 S317 L318 I447 L448I150-Y345 HydrophobicContact CG2-CE2 4.46Å; I150-Y345 WeakPolarHBondContact CG2-OH 3.4Å; Y151-Y345 HydrophobicContact CE1-CE1 4.33Å; F154-Y345 HydrophobicContact CE1-CG 4.48Å; F154-Y345 AromaticContact CE2-CD1 4Å; F154-Y345 HydrophobicContact CE2-CD1 4Å; F154-Y345 AromaticContact CE2-CD2 3.76Å; F154-Y345 HydrophobicContact CE2-CD2 3.76Å; F154-Y345 AromaticContact CE2-CE1 3.93Å; F154-Y345 HydrophobicContact CE2-CE1 3.93Å; F154-Y345 AromaticContact CE2-CE2 3.67Å; F154-Y345 HydrophobicContact CE2-CE2 3.67Å; F154-Y345 AromaticContact CE2-CG 3.91Å; F154-Y345 HydrophobicContact CE2-CG 3.91Å; F154-Y345 AromaticContact CE2-CZ 3.77Å; F154-Y345 HydrophobicContact CZ-CD1 4.11Å; F154-Y345 AromaticContact CZ-CD2 3.46Å; F154-Y345 HydrophobicContact CZ-CD2 3.46Å; F154-Y345 VanDerWaalsContact CZ-CD2 3.46Å; F154-Y345 HydrophobicContact CZ-CE1 4.46Å; F154-Y345 AromaticContact CZ-CE2 3.85Å; F154-Y345 HydrophobicContact CZ-CE2 3.85Å; F154-Y345 AromaticContact CZ-CG 3.59Å; F154-Y345 HydrophobicContact CZ-CG 3.59Å; S317-Y345 CarbonylContact C-O 3.55Å; S317-Y345 VanDerWaalsContact CA-O 3.28Å; S317-Y345 WeakPolarHBondContact CA-O 3.35Å; L318-Y345 PolarHBondContact N-O 3.41Å; Y345-I447 WeakPolarHBondContact CA-O 3.37Å; Y345-L448 HydrophobicContact CD1-CB 4.03Å; Y345-L448 HydrophobicContact CD1-CD2 3.43Å; Y345-L448 VanDerWaalsContact CD1-CD2 3.43Å; Y345-L448 HydrophobicContact CD1-CG 4.3Å; Y345-L448 HydrophobicContact CE1-CB 4.35Å; Y345-L448 HydrophobicContact CE1-CD2 4.07Å; Y345-L448 HydrophobicContact CG-CD2 4.06Å
346Y98.9Very high97.6Very high0 Ų040.8 Ų40.80%019%0.189CC..EExtended strand (participates in β ladder)trans-133.7138.6-175.6-76.1-88.4000110.8L282 H316 K327 V329 M340 E344 T446 I447 L449L282-Y346 HydrophobicContact CD2-CE1 4.25Å; H316-Y346 CarbonylContact O-C 3.56Å; H316-Y346 VanDerWaalsContact O-CA 3.31Å; H316-Y346 WeakPolarHBondContact O-CA 3.44Å; K327-Y346 HydrophobicContact CB-CE1 4.24Å; K327-Y346 WeakPolarHBondContact CD-OH 3.39Å; V329-Y346 HydrophobicContact CG2-CD1 3.48Å; V329-Y346 VanDerWaalsContact CG2-CD1 3.48Å; V329-Y346 HydrophobicContact CG2-CE1 3.83Å; V329-Y346 HydrophobicContact CG2-CG 4.46Å; M340-Y346 HydrophobicContact CB-CE2 3.98Å; M340-Y346 HydrophobicContact CE-CD1 4.24Å; M340-Y346 HydrophobicContact CE-CD2 4.38Å; M340-Y346 HydrophobicContact CE-CE1 4.26Å; M340-Y346 HydrophobicContact CE-CE2 4.4Å; M340-Y346 HydrophobicContact CE-CG 4.28Å; M340-Y346 HydrophobicContact CG-CE1 4.47Å; M340-Y346 HydrophobicContact CG-CE2 3.79Å; M340-Y346 HydrophobicContact SD-CD2 4.43Å; M340-Y346 HydrophobicContact SD-CE2 4.22Å; E344-Y346 HydrophobicContact CB-CD2 4.24Å; E344-Y346 HydrophobicContact CB-CE2 3.63Å; E344-Y346 PolarHBondContact OE2-OH 3.15Å; Y346-T446 CarbonylContact O-C 3.54Å; Y346-T446 VanDerWaalsContact O-CA 3.3Å; Y346-T446 WeakPolarHBondContact O-CA 3.4Å; Y346-I447 PolarHBondContact N-O 2.88Å; Y346-I447 PolarHBondContact O-N 3.37Å; Y346-L449 HydrophobicContact CD2-CD1 3.87Å; Y346-L449 HydrophobicContact CD2-CG 4.3Å; Y346-L449 HydrophobicContact CE2-CD1 3.74Å
347A98.9Very high98Very high0 Ų034.8 Ų34.80%016%0.161CC..EExtended strand (participates in β ladder)trans-85.9111.8158.600000107.3D247 G315 H316 L318 E444D247-A347 HydrophobicContact CB-CB 3.88Å; G315-A347 CarbonylContact C-O 3.57Å; G315-A347 VanDerWaalsContact CA-O 3.25Å; G315-A347 WeakPolarHBondContact CA-O 3.43Å; H316-A347 VanDerWaalsContact CE1-CB 3.47Å; H316-A347 WeakPolarHBondContact CE1-CB 3.44Å; H316-A347 PolarHBondContact N-O 3.33Å; H316-A347 PolarHBondContact O-N 3.24Å; L318-A347 HydrophobicContact CD1-CB 4.27Å; L318-A347 HydrophobicContact CG-CB 4.41Å; A347-E444 WeakPolarHBondContact CB-OE1 3.39Å
348I98.9Very high98.2Very high1 Ų133.2 Ų33.21%0.00515%0.15CC..EExtended strand (participates in β ladder)trans-98.396.5175.4-54.8-60.8000107.2T269 I273 A276 V329 M340 E444 H445 I447T269-I348 WeakPolarHBondContact CG2-O 3.39Å; I273-I348 HydrophobicContact CG1-CB 3.94Å; I273-I348 HydrophobicContact CG1-CG1 4.35Å; I273-I348 HydrophobicContact CG1-CG2 3.86Å; A276-I348 HydrophobicContact CB-CD1 4.34Å; V329-I348 HydrophobicContact CG1-CD1 4.17Å; V329-I348 HydrophobicContact CG2-CD1 4.07Å; M340-I348 HydrophobicContact CE-CD1 4.11Å; I348-E444 VanDerWaalsContact O-CA 3.31Å; I348-E444 WeakPolarHBondContact O-CA 3.46Å; I348-H445 PolarHBondContact N-O 3.3Å; I348-H445 PolarHBondContact O-N 3.03Å; I348-H445 VanDerWaalsContact O-N 3.1Å; I348-I447 HydrophobicContact CD1-CD1 4.06Å; I348-I447 HydrophobicContact CG1-CD1 3.69Å; I348-I447 HydrophobicContact CG1-CG1 3.94Å; I348-I447 HydrophobicContact CG1-CG2 4.28Å
349E98.8Very high98.3Very high18 Ų1831 Ų318%0.08414%0.136CC..EExtended strand (participates in β ladder)trans-114.4149.5176.244.9176170.300111.6G315 H316 I331 F351 Q442 W443 E444G315-E349 VanDerWaalsContact CA-CG 3.45Å; H316-E349 IonicContact CD2-OE1 3.55Å; H316-E349 PolarHBondContact CD2-OE1 2.83Å; H316-E349 IonicContact NE2-OE1 3.32Å; I331-E349 WeakPolarHBondContact CG2-O 3.26Å; E349-F351 HydrophobicContact CB-CE2 4.26Å; E349-F351 HydrophobicContact CG-CE2 4.17Å; E349-F351 WeakPolarHBondContact OE2-CE2 3.34Å; E349-F351 WeakPolarHBondContact OE2-CZ 3.4Å; E349-Q442 PolarHBondContact OE2-NE2 3.46Å; E349-W443 WeakPolarHBondContact CA-O 3.49Å; E349-E444 HydrophobicContact CB-CB 3.72Å; E349-E444 HydrophobicContact CB-CG 3.68Å; E349-E444 HydrophobicContact CG-CG 4.47Å; E349-E444 WeakPolarHBondContact CG-OE1 3.43Å
350T98.9Very high98.3Very high0 Ų029.9 Ų29.90%014%0.139CC..EExtended strand (participates in β ladder)trans-137.6150.6170.776.10000110.5V265 T269 I289 M293 I331 Q442 W443V265-T350 VanDerWaalsContact CG1-O 3.26Å; V265-T350 WeakPolarHBondContact CG1-O 3.41Å; V265-T350 WeakPolarHBondContact CG1-OG1 3.18Å; V265-T350 PolarHBondContact O-OG1 2.99Å; T269-T350 PolarHBondContact OG1-OG1 3.09Å; I289-T350 HydrophobicContact CD1-CG2 3.95Å; I289-T350 HydrophobicContact CG1-CG2 4.17Å; I289-T350 HydrophobicContact CG2-CG2 3.58Å; M293-T350 WeakPolarHBondContact CE-OG1 3.3Å; I331-T350 HydrophobicContact CG2-CG2 4.14Å; T350-Q442 WeakPolarHBondContact O-CA 3.23Å; T350-W443 PolarHBondContact N-O 2.85Å; T350-W443 VanDerWaalsContact N-O 3.14Å; T350-W443 PolarHBondContact O-N 3.03Å
351F98.9Very high98.4Very high2 Ų235.3 Ų35.31%0.00917%0.168CC..EExtended strand (participates in β ladder)trans-128.9119.3-179.1-61.2-95.1000109.8A214 A215 P309 I310 L313 I331 E349 A441 Q442A214-F351 HydrophobicContact CB-CD1 4.03Å; A214-F351 HydrophobicContact CB-CE1 4.42Å; A215-F351 HydrophobicContact CB-CE1 4.17Å; A215-F351 HydrophobicContact CB-CZ 4.34Å; P309-F351 CarbonylContact C-O 3.38Å; P309-F351 WeakPolarHBondContact CA-O 3.17Å; I310-F351 HydrophobicContact CB-CB 3.96Å; I310-F351 HydrophobicContact CD1-CB 3.75Å; I310-F351 HydrophobicContact CG1-CB 3.82Å; I310-F351 PolarHBondContact N-O 3.33Å; L313-F351 HydrophobicContact CB-CD2 3.56Å; L313-F351 HydrophobicContact CB-CE2 3.86Å; L313-F351 HydrophobicContact CB-CG 4.25Å; L313-F351 HydrophobicContact CD1-CB 4.07Å; L313-F351 HydrophobicContact CD1-CD1 3.73Å; L313-F351 HydrophobicContact CD1-CD2 3.6Å; L313-F351 HydrophobicContact CD1-CE1 3.96Å; L313-F351 HydrophobicContact CD1-CE2 3.85Å; L313-F351 HydrophobicContact CD1-CG 3.53Å; L313-F351 HydrophobicContact CD1-CZ 4.01Å; L313-F351 HydrophobicContact CG-CD2 4.22Å; L313-F351 HydrophobicContact CG-CE2 4.39Å; I331-F351 HydrophobicContact CD1-CB 4.37Å; I331-F351 HydrophobicContact CD1-CD2 4.49Å; E349-F351 HydrophobicContact CB-CE2 4.26Å; E349-F351 HydrophobicContact CG-CE2 4.17Å; E349-F351 WeakPolarHBondContact OE2-CE2 3.34Å; E349-F351 WeakPolarHBondContact OE2-CZ 3.4Å; F351-A441 VanDerWaalsContact CA-O 3.29Å; F351-A441 WeakPolarHBondContact CA-O 3.36Å; F351-Q442 HydrophobicContact CD1-CB 3.75Å; F351-Q442 HydrophobicContact CD1-CG 3.83Å; F351-Q442 HydrophobicContact CE1-CB 3.71Å; F351-Q442 HydrophobicContact CE1-CG 3.39Å; F351-Q442 HydrophobicContact CE2-CG 4.44Å; F351-Q442 HydrophobicContact CZ-CG 3.74Å
352G98.9Very high98.3Very high0 Ų031.1 Ų31.10%015%0.154CC..EExtended strand (participates in β ladder)trans-100.5144.817200000111.2V265 M293 K308 T440 A441V265-G352 VanDerWaalsContact CG2-CA 3.44Å; V265-G352 VanDerWaalsContact CG2-N 3.34Å; M293-G352 VanDerWaalsContact SD-CA 3.54Å; K308-G352 CarbonylContact O-C 3.47Å; K308-G352 WeakPolarHBondContact O-CA 3.48Å; G352-T440 CarbonylContact O-C 3.55Å; G352-T440 WeakPolarHBondContact O-CA 3.37Å; G352-A441 PolarHBondContact N-O 3.24Å; G352-A441 PolarHBondContact O-N 2.71Å
353S98.9Very high98Very high0 Ų036.3 Ų36.30%018%0.183CC..EExtended strand (participates in β ladder)trans-137.5143.3-178.9-179.70000111.7K308 G355 D434 Y439K308-S353 PolarHBondContact N-O 3.33Å; K308-S353 PolarHBondContact O-N 3.1Å; S353-G355 VanDerWaalsContact C-N 3.28Å; S353-G355 WeakPolarHBondContact OG-CA 3.17Å; S353-G355 PolarHBondContact OG-N 3.42Å; S353-D434 WeakPolarHBondContact CB-OD2 3.43Å; S353-D434 PolarHBondContact OG-OD2 3.46Å; S353-Y439 WeakPolarHBondContact CA-O 3.35Å
354T98.7Very high97.9Very high8 Ų839.5 Ų39.55%0.04920%0.196CC..SBendtrans-86.3-0.9165.863.50000112.6L261 V298 L300 Y305 Y439L261-T354 HydrophobicContact CD1-CG2 4.49Å; L261-T354 HydrophobicContact CD2-CG2 4.32Å; V298-T354 HydrophobicContact CG1-CG2 4.03Å; L300-T354 HydrophobicContact CD1-CG2 3.67Å; Y305-T354 WeakPolarHBondContact CD1-O 3.37Å; Y305-T354 HydrophobicContact CD2-CG2 4.33Å; Y305-T354 HydrophobicContact CG-CG2 4.15Å; T354-Y439 PolarHBondContact N-O 3.48Å; T354-Y439 PolarHBondContact OG1-N 3.44Å
355G98.3Very high97.9Very high3 Ų338.8 Ų38.83%0.03120%0.195CC..SBendtrans-92.5-134-175.900000114.4K308 S353 G357 C438K308-G355 PolarHBondContact NZ-O 2.88Å; K308-G355 VanDerWaalsContact NZ-O 3.13Å; S353-G355 VanDerWaalsContact C-N 3.28Å; S353-G355 WeakPolarHBondContact OG-CA 3.17Å; S353-G355 PolarHBondContact OG-N 3.42Å; G355-G357 VanDerWaalsContact C-N 3.32Å; G355-C438 VanDerWaalsContact CA-CB 3.49Å
356K98.2Very high97.9Very high132 Ų13238 Ų3857%0.57419%0.192SC*.  trans-83.8-9.5178.4-66.3-174.2179.6176.90112.8R311 Y358 D434 Q435R311-K356 PolarHBondContact NH1-O 3.26Å; K356-Y358 VanDerWaalsContact C-N 3.28Å; K356-D434 PolarHBondContact N-OD1 3.04Å; K356-D434 PolarHBondContact N-OD2 3.07Å; K356-Q435 HydrophobicContact CG-CG 4.38Å
357G98.5Very high97.9Very high1 Ų138.7 Ų38.71%0.0120%0.195CC..SBendtrans62.639.7-172.700000110.8R311 G355 D434R311-G357 WeakPolarHBondContact CG-O 3.29Å; R311-G357 PolarHBondContact N-O 3.33Å; R311-G357 PolarHBondContact NH1-O 3.08Å; G355-G357 VanDerWaalsContact C-N 3.32Å; G357-D434 WeakPolarHBondContact CA-OD2 3.41Å; G357-D434 PolarHBondContact N-OD2 3.41Å
358Y98.7Very high97.9Very high103 Ų10339.4 Ų39.440%0.40420%0.198SC..  trans-156.4129.9179.3-167.1-91.1000110.1R311 N312 K356 I360 D434R311-Y358 HydrophobicContact CG-CD2 3.85Å; N312-Y358 HydrophobicContact CB-CD2 3.96Å; N312-Y358 HydrophobicContact CB-CE2 3.65Å; N312-Y358 WeakPolarHBondContact OD1-CA 3.3Å; N312-Y358 WeakPolarHBondContact OD1-CD2 3.3Å; K356-Y358 VanDerWaalsContact C-N 3.28Å; Y358-I360 HydrophobicContact CD1-CG2 4.27Å; Y358-I360 HydrophobicContact CE1-CG2 4.16Å; Y358-D434 PolarHBondContact N-OD2 3.35Å; Y358-D434 WeakPolarHBondContact O-CA 3.43Å
359V98.7Very high97.9Very high4 Ų440.4 Ų40.42%0.02420%0.202CC..  trans-100147.8179.4-69.20000111.9A214 I310 N312 L313 L432 C433 D434A214-V359 HydrophobicContact CB-CG1 4Å; I310-V359 HydrophobicContact CD1-CG1 4.01Å; I310-V359 HydrophobicContact CG2-CB 4.26Å; I310-V359 HydrophobicContact CG2-CG1 3.61Å; I310-V359 HydrophobicContact CG2-CG2 3.99Å; N312-V359 WeakPolarHBondContact ND2-CG2 3.36Å; N312-V359 PolarHBondContact ND2-O 3.06Å; N312-V359 WeakPolarHBondContact OD1-CG2 3.02Å; N312-V359 PolarHBondContact OD1-N 3.25Å; L313-V359 HydrophobicContact CD1-CG1 4.25Å; L313-V359 HydrophobicContact CD1-CG2 4.23Å; L313-V359 HydrophobicContact CD2-CG2 3.85Å; L313-V359 HydrophobicContact CG-CG2 3.8Å; V359-L432 HydrophobicContact CB-CB 3.96Å; V359-L432 HydrophobicContact CG1-CB 4.33Å; V359-L432 HydrophobicContact CG2-CB 3.93Å; V359-C433 CarbonylContact C-O 3.56Å; V359-C433 VanDerWaalsContact CA-O 3.29Å; V359-C433 WeakPolarHBondContact CA-O 3.49Å; V359-D434 HydrophobicContact CG1-CB 4.45Å
360I98.3Very high97.8Very high111 Ų11141.3 Ų41.357%0.56921%0.206SC*.EExtended strand (participates in β ladder)trans-122.9161.4167.859.5170.5000109.2Y358 G362 C433Y358-I360 HydrophobicContact CD1-CG2 4.27Å; Y358-I360 HydrophobicContact CE1-CG2 4.16Å; I360-G362 PolarHBondContact O-N 3.35Å; I360-C433 WeakPolarHBondContact CG1-O 3.29Å; I360-C433 PolarHBondContact N-O 3Å; I360-C433 PolarHBondContact O-N 3.27Å
361D98.3Very high97.8Very high114 Ų11443.3 Ų43.361%0.6122%0.217SC*.EExtended strand (participates in β ladder)trans-61129.9176-63.6-4.7000110.8P430 P431D361-P430 HydrophobicContact CB-CB 4.02Å; D361-P430 HydrophobicContact CB-CG 3.65Å; D361-P431 CarbonylContact C-O 3.51Å
362G95.1Very high97.7Very high19 Ų1947.6 Ų47.620%0.19624%0.236CC..  trans-81178.7168.600000112.2I360 P431I360-G362 PolarHBondContact O-N 3.35Å; G362-P431 PolarHBondContact N-O 2.92Å
363D89.9Confident97.6Very high146 Ų14654.2 Ų54.278%0.78127%0.271SS*.SBendtrans-74.3-70.6-167.6-59.5-47.7000113.3V365D363-V365 PolarHBondContact O-N 3.38Å
364E95.2Very high97.4Very high108 Ų10856.1 Ų56.151%0.50528%0.282SS..SBendtrans-88.5112.1-170.2-162.9-179.4173.100112.8N220 S366 R402 P431N220-E364 VanDerWaalsContact ND2-CD 3.31Å; N220-E364 PolarHBondContact ND2-OE1 3.43Å; E364-S366 PolarHBondContact O-N 2.81Å; E364-R402 IonicContact OE1-CZ 3.49Å; E364-R402 IonicContact OE1-NH1 3.59Å; E364-R402 PolarHBondContact OE1-NH1 2.75Å; E364-P431 WeakPolarHBondContact O-CD 3.49Å
365V98.1Very high97.1Very high28 Ų2858.5 Ų58.517%0.1731%0.309CS..  trans-68.6127.4175.5-173.20000111.2N220 D363 H367 Y368 R402 P428 P430N220-V365 PolarHBondContact ND2-O 2.91Å; D363-V365 PolarHBondContact O-N 3.38Å; V365-H367 WeakPolarHBondContact CG1-O 3.39Å; V365-Y368 HydrophobicContact CG1-CE1 3.91Å; V365-Y368 HydrophobicContact CG1-CE2 3.99Å; V365-R402 PolarHBondContact O-NE 2.76Å; V365-R402 PolarHBondContact O-NH2 3.18Å; V365-P428 HydrophobicContact CG1-CB 3.87Å; V365-P428 HydrophobicContact CG2-CB 4.48Å; V365-P430 HydrophobicContact CG2-CB 4.06Å
366S98.5Very high96.8Very high1 Ų166.9 Ų66.91%0.00735%0.347CS..  trans-113.4-36.4173.556.10000112.6H216 T218 N220 E364 Y368 C401 R402H216-S366 PolarHBondContact O-OG 2.92Å; T218-S366 PolarHBondContact N-OG 3.42Å; T218-S366 WeakPolarHBondContact O-CB 3.24Å; T218-S366 PolarHBondContact O-OG 3.27Å; N220-S366 WeakPolarHBondContact OD1-CA 3.1Å; N220-S366 WeakPolarHBondContact OD1-CB 3.45Å; E364-S366 PolarHBondContact O-N 2.81Å; S366-Y368 WeakPolarHBondContact O-CD2 3.06Å; S366-Y368 WeakPolarHBondContact O-CE2 3.3Å; S366-C401 WeakPolarHBondContact O-CA 3.47Å; S366-C401 WeakPolarHBondContact O-CB 3.43Å; S366-R402 PolarHBondContact O-N 3.5Å
367H98.7Very high96.5Very high13 Ų1362.8 Ų62.86%0.0633%0.333CS..EExtended strand (participates in β ladder)trans-92.2140.5-176.5-69.160.3000112.3H216 T218 V365 Y429H216-H367 PolarHBondContact O-CE1 3.15Å; H216-H367 PolarHBondContact O-ND1 3.42Å; H216-H367 VanDerWaalsContact O-ND1 3.12Å; T218-H367 VanDerWaalsContact CG2-CE1 3.45Å; T218-H367 WeakPolarHBondContact CG2-CE1 3.41Å; V365-H367 WeakPolarHBondContact CG1-O 3.39Å; H367-Y429 WeakPolarHBondContact CB-O 3.47Å; H367-Y429 PolarHBondContact O-N 3Å
368Y98.9Very high96.2Very high16 Ų1667.9 Ų67.96%0.06337%0.366CS..EExtended strand (participates in β ladder)trans-143.5148.2178.6-62.2-90.3000109.3V365 S366 A399 F400 R402 L417 V426 N427 P428V365-Y368 HydrophobicContact CG1-CE1 3.91Å; V365-Y368 HydrophobicContact CG1-CE2 3.99Å; S366-Y368 WeakPolarHBondContact O-CD2 3.06Å; S366-Y368 WeakPolarHBondContact O-CE2 3.3Å; Y368-A399 CarbonylContact O-C 3.59Å; Y368-A399 WeakPolarHBondContact O-CA 3.21Å; Y368-F400 VanDerWaalsContact CB-CZ 3.48Å; Y368-F400 HydrophobicContact CD2-CE2 4.43Å; Y368-F400 HydrophobicContact CG-CE2 4.25Å; Y368-F400 HydrophobicContact CG-CZ 4.41Å; Y368-F400 PolarHBondContact N-O 3.01Å; Y368-F400 WeakPolarHBondContact O-CD1 2.94Å; Y368-F400 PolarHBondContact O-N 2.76Å; Y368-F400 VanDerWaalsContact O-O 3.11Å; Y368-R402 HydrophobicContact CE2-CG 3.84Å; Y368-R402 PolarHBondContact OH-NE 3.16Å; Y368-R402 PolarHBondContact OH-NH2 2.75Å; Y368-L417 HydrophobicContact CD1-CD1 3.92Å; Y368-L417 HydrophobicContact CD1-CD2 4.01Å; Y368-L417 HydrophobicContact CD1-CG 4Å; Y368-L417 HydrophobicContact CD2-CD2 3.89Å; Y368-L417 HydrophobicContact CE1-CD1 4.27Å; Y368-L417 HydrophobicContact CE1-CD2 3.71Å; Y368-L417 HydrophobicContact CE1-CG 3.82Å; Y368-L417 HydrophobicContact CE2-CD2 3.61Å; Y368-L417 HydrophobicContact CG-CD1 4.16Å; Y368-L417 HydrophobicContact CG-CD2 4.09Å; Y368-L417 HydrophobicContact CG-CG 4.44Å; Y368-V426 HydrophobicContact CD1-CG1 4.13Å; Y368-V426 HydrophobicContact CG-CG1 4.44Å; Y368-N427 WeakPolarHBondContact CA-O 3.46Å; Y368-P428 HydrophobicContact CD1-CB 4.26Å; Y368-P428 HydrophobicContact CE1-CB 4.08Å
369M98.8Very high96Very high21 Ų2163.7 Ų63.710%0.10335%0.35CS..EExtended strand (participates in β ladder)trans-147.2140175.2-171.4169.860.600109.9I323 N371 T397 A399 V426 N427 Y429I323-M369 HydrophobicContact CG2-CE 3.85Å; I323-M369 HydrophobicContact CG2-SD 3.46Å; I323-M369 WeakPolarHBondContact CG2-SD 3.31Å; M369-N371 PolarHBondContact O-N 3.1Å; M369-T397 VanDerWaalsContact CG-O 3.23Å; M369-T397 WeakPolarHBondContact CG-O 3.32Å; M369-A399 HydrophobicContact CB-CB 4.09Å; M369-A399 HydrophobicContact CG-CB 4.19Å; M369-A399 HydrophobicContact SD-CB 4.05Å; M369-V426 CarbonylContact O-C 3.55Å; M369-V426 WeakPolarHBondContact O-CA 3.17Å; M369-N427 PolarHBondContact N-O 3.28Å; M369-N427 PolarHBondContact O-N 2.83Å; M369-Y429 HydrophobicContact CB-CD2 4.27Å; M369-Y429 HydrophobicContact CB-CE2 3.76Å; M369-Y429 HydrophobicContact CE-CE2 4.01Å; M369-Y429 WeakPolarHBondContact CE-OH 3.42Å
370K98.5Very high95.8Very high37 Ų3775.1 Ų75.116%0.16139%0.393CS..EExtended strand (participates in β ladder)trans-65.4135.4173.3-170.5-179.2176.7-179.50109.1F372 I391 D392 S396 I425K370-F372 PolarHBondContact O-N 3.28Å; K370-I391 HydrophobicContact CB-CG2 4.49Å; K370-D392 IonicContact NZ-OD1 2.74Å; K370-D392 PolarHBondContact NZ-OD1 2.75Å; K370-D392 IonicContact NZ-OD2 3.25Å; K370-S396 VanDerWaalsContact CB-O 3.32Å; K370-S396 WeakPolarHBondContact CB-O 3.48Å; K370-I425 WeakPolarHBondContact CA-O 3.44Å; K370-I425 HydrophobicContact CG-CG2 4.34Å; K370-I425 WeakPolarHBondContact CG-O 3.35Å
371N98.2Very high95.6Very high42 Ų4274 Ų7423%0.22539%0.388CS..  trans-64.9119.8174.2-174-27.1000109.2M369 D373 V374 I425M369-N371 PolarHBondContact O-N 3.1Å; N371-D373 VanDerWaalsContact C-N 3.26Å; N371-D373 PolarHBondContact O-N 3.33Å; N371-D373 PolarHBondContact OD1-N 3.07Å; N371-D373 VanDerWaalsContact OD1-N 3.1Å; N371-V374 HydrophobicContact CB-CB 4.09Å; N371-V374 HydrophobicContact CB-CG2 3.71Å; N371-V374 PolarHBondContact O-N 2.76Å; N371-I425 PolarHBondContact N-O 2.87Å
372F97.5Very high95.5Very high93 Ų9372.4 Ų72.441%0.40839%0.39SS..THydrogen-bonded Turntrans-59.5-36.1-174.9-171.3-91000112.7Q322 K370 T397Q322-F372 HydrophobicContact CB-CD2 3.89Å; Q322-F372 HydrophobicContact CB-CE2 3.79Å; Q322-F372 HydrophobicContact CB-CZ 4.43Å; Q322-F372 HydrophobicContact CG-CD2 3.87Å; Q322-F372 HydrophobicContact CG-CE2 4.16Å; Q322-F372 HydrophobicContact CG-CG 4.14Å; K370-F372 PolarHBondContact O-N 3.28Å; F372-T397 HydrophobicContact CD2-CG2 3.79Å; F372-T397 HydrophobicContact CE2-CG2 4.41Å
373D96.3Very high95.6Very high138 Ų13874.8 Ų74.874%0.73840%0.395SS*.THydrogen-bonded Turntrans-86.5-9.5-174.1-60.3-46000113.4N371 G375N371-D373 VanDerWaalsContact C-N 3.26Å; N371-D373 PolarHBondContact O-N 3.33Å; N371-D373 PolarHBondContact OD1-N 3.07Å; N371-D373 VanDerWaalsContact OD1-N 3.1Å; D373-G375 PolarHBondContact O-N 3.46Å
374V94.7Very high96Very high40 Ų4067.8 Ų67.824%0.24236%0.358CS..  trans-84.9114.5-175.5172.90000110.5N371 V377 I425N371-V374 HydrophobicContact CB-CB 4.09Å; N371-V374 HydrophobicContact CB-CG2 3.71Å; N371-V374 PolarHBondContact O-N 2.76Å; V374-V377 HydrophobicContact CG1-CG2 3.7Å; V374-I425 HydrophobicContact CG1-CG1 4.32Å
375G92Very high96.1Very high59 Ų5967.6 Ų67.661%0.60836%0.355SS*.  trans-72.4-159.1170.800000113.5D373 V377D373-G375 PolarHBondContact O-N 3.46Å; G375-V377 PolarHBondContact O-N 3.42Å
376H91.7Very high96.1Very high178 Ų17870.6 Ų70.682%0.82437%0.368SS*.  trans-66.2123.8-179.9-179.173000112.3
377V92.2Very high96.1Very high46 Ų4670.6 Ų70.628%0.27937%0.367SS..  trans-116.6123.8174.3177.50000109.7V374 G375 L379 I425V374-V377 HydrophobicContact CG1-CG2 3.7Å; G375-V377 PolarHBondContact O-N 3.42Å; V377-L379 PolarHBondContact O-N 3.14Å; V377-L379 VanDerWaalsContact O-N 3.14Å; V377-I425 HydrophobicContact CB-CD1 3.7Å; V377-I425 HydrophobicContact CB-CG1 3.89Å; V377-I425 HydrophobicContact CG1-CD1 4.04Å; V377-I425 HydrophobicContact CG1-CG1 4.32Å; V377-I425 HydrophobicContact CG2-CD1 4.36Å; V377-I425 HydrophobicContact CG2-CG1 3.98Å
378P91.8Very high96.1Very high108 Ų10870.9 Ų70.970%0.70137%0.369SS*.  trans-72.4109.1-178.527.9-33.7000111.7
379L95.6Very high96Very high16 Ų1675 Ų758%0.08439%0.392CS..  trans-83.1145.7175.1-66.5169.5000111.7V377 K385 L388 L420 V423 I425V377-L379 PolarHBondContact O-N 3.14Å; V377-L379 VanDerWaalsContact O-N 3.14Å; L379-K385 HydrophobicContact CB-CG 3.76Å; L379-K385 HydrophobicContact CD1-CG 4.34Å; L379-K385 WeakPolarHBondContact O-CE 3.42Å; L379-K385 PolarHBondContact O-NZ 3.36Å; L379-L388 HydrophobicContact CD1-CB 4.21Å; L379-L388 HydrophobicContact CD1-CD2 3.76Å; L379-L420 HydrophobicContact CD1-CD2 3.54Å; L379-L420 HydrophobicContact CD2-CD2 4.1Å; L379-L420 HydrophobicContact CG-CD2 4.47Å; L379-V423 HydrophobicContact CD2-CG2 3.95Å; L379-I425 HydrophobicContact CD1-CD1 4.18Å; L379-I425 HydrophobicContact CD2-CD1 3.84Å; L379-I425 HydrophobicContact CG-CD1 4.09Å
380R92.8Very high96Very high244 Ų24475.1 Ų75.192%0.92139%0.394SS*.  trans-92.8-39.3173.8-65.8-177.2-176.5174.31.4112.7
381L94.6Very high96Very high87 Ų8773.3 Ų73.346%0.45539%0.386SS..  trans-76.5126.3-176-61.6177.9000111.2K383 S384 K385 N419L381-K383 PolarHBondContact O-N 2.7Å; L381-S384 WeakPolarHBondContact CB-OG 3.35Å; L381-S384 PolarHBondContact O-N 2.89Å; L381-K385 PolarHBondContact O-N 3.27Å; L381-K385 VanDerWaalsContact O-N 3.13Å; L381-N419 HydrophobicContact CD1-CB 4.22Å
382A96.5Very high96Very high80 Ų8074 Ų7466%0.66139%0.39SS*.Hα-helixtrans-61.4-41.4-179.300000112.6S384 K385 Q386A382-S384 VanDerWaalsContact C-N 3.35Å; A382-S384 PolarHBondContact O-N 2.68Å; A382-K385 WeakPolarHBondContact O-CB 3.36Å; A382-K385 PolarHBondContact O-N 3.48Å; A382-Q386 PolarHBondContact O-N 2.86Å
383K97.2Very high96Very high69 Ų6978.9 Ų78.930%0.341%0.406SS..Hα-helixtrans-66.8-34.1178.6-167.261.8171.4162.20112.3L381 Q386 L387 E410 T411 A416L381-K383 PolarHBondContact O-N 2.7Å; K383-Q386 PolarHBondContact O-N 3.33Å; K383-L387 WeakPolarHBondContact O-CB 3.39Å; K383-L387 PolarHBondContact O-N 3.45Å; K383-E410 IonicContact NZ-OE2 3Å; K383-E410 PolarHBondContact NZ-OE2 3.2Å; K383-T411 WeakPolarHBondContact CE-O 3.35Å; K383-T411 PolarHBondContact NZ-O 2.76Å; K383-A416 HydrophobicContact CB-CB 4.25Å; K383-A416 HydrophobicContact CG-CB 3.88Å
384S97.9Very high96.1Very high0 Ų075 Ų750%039%0.385CS..Hα-helixtrans-66.4-40.3172.5-51.70000112.2L381 A382 L387 L388 N419L381-S384 WeakPolarHBondContact CB-OG 3.35Å; L381-S384 PolarHBondContact O-N 2.89Å; A382-S384 VanDerWaalsContact C-N 3.35Å; A382-S384 PolarHBondContact O-N 2.68Å; S384-L387 PolarHBondContact O-N 2.92Å; S384-L388 WeakPolarHBondContact O-CB 3.37Å; S384-L388 PolarHBondContact O-N 2.94Å; S384-N419 WeakPolarHBondContact CB-OD1 3.45Å; S384-N419 PolarHBondContact OG-OD1 2.9Å
385K97.6Very high96.3Very high104 Ų10474 Ų7445%0.45238%0.377SS..Hα-helixtrans-62-46.2173.5-68.3179.5-175.1-178.40111.9L379 L381 A382 L388 N389L379-K385 HydrophobicContact CB-CG 3.76Å; L379-K385 HydrophobicContact CD1-CG 4.34Å; L379-K385 WeakPolarHBondContact O-CE 3.42Å; L379-K385 PolarHBondContact O-NZ 3.36Å; L381-K385 PolarHBondContact O-N 3.27Å; L381-K385 VanDerWaalsContact O-N 3.13Å; A382-K385 WeakPolarHBondContact O-CB 3.36Å; A382-K385 PolarHBondContact O-N 3.48Å; K385-L388 PolarHBondContact O-N 3.43Å; K385-N389 VanDerWaalsContact O-CG 3.27Å; K385-N389 PolarHBondContact O-N 3.46Å; K385-N389 PolarHBondContact O-ND2 3Å
386Q97.8Very high96.5Very high91 Ų9172.9 Ų72.943%0.42536%0.36SS..Hα-helixtrans-58.5-49.7177.2178.2-176.2-16.700110.5A382 K383 L388 N389 V390 E410A382-Q386 PolarHBondContact O-N 2.86Å; K383-Q386 PolarHBondContact O-N 3.33Å; Q386-L388 PolarHBondContact O-N 3.48Å; Q386-N389 WeakPolarHBondContact O-CB 3.49Å; Q386-N389 PolarHBondContact O-N 2.85Å; Q386-V390 WeakPolarHBondContact O-CG2 3.4Å; Q386-V390 PolarHBondContact O-N 2.91Å; Q386-V390 VanDerWaalsContact O-N 3.08Å; Q386-E410 PolarHBondContact NE2-OE1 2.84Å
387L98.6Very high96.9Very high0 Ų065.4 Ų65.40%033%0.327CS..Hα-helixtrans-63.4-41.2-179.5-175.964.3000112K383 S384 N389 V390 I391 L405 E410 A416 L417 L420K383-L387 WeakPolarHBondContact O-CB 3.39Å; K383-L387 PolarHBondContact O-N 3.45Å; S384-L387 PolarHBondContact O-N 2.92Å; L387-N389 VanDerWaalsContact C-N 3.32Å; L387-N389 PolarHBondContact O-N 3.45Å; L387-V390 WeakPolarHBondContact O-CB 3.48Å; L387-V390 PolarHBondContact O-N 3.01Å; L387-V390 VanDerWaalsContact O-N 3.13Å; L387-I391 HydrophobicContact CG-CD1 4.13Å; L387-I391 WeakPolarHBondContact O-CG1 3.29Å; L387-I391 PolarHBondContact O-N 2.9Å; L387-L405 HydrophobicContact CD1-CD1 4.13Å; L387-L405 HydrophobicContact CD1-CD2 3.95Å; L387-E410 HydrophobicContact CD1-CG 4.47Å; L387-A416 HydrophobicContact CB-CB 4.36Å; L387-A416 HydrophobicContact CD2-CB 3.91Å; L387-L417 HydrophobicContact CD2-CB 3.8Å; L387-L417 HydrophobicContact CD2-CD1 4.32Å; L387-L420 HydrophobicContact CB-CD1 4.37Å; L387-L420 HydrophobicContact CD2-CD1 3.94Å; L387-L420 HydrophobicContact CG-CD1 4.09Å
388L98.3Very high97.2Very high20 Ų2063.5 Ų63.511%0.10532%0.315CS..Hα-helixtrans-60.5-41.8175.3-178.958.9000111.7L379 S384 K385 Q386 V390 I391 D392 L420 I425L379-L388 HydrophobicContact CD1-CB 4.21Å; L379-L388 HydrophobicContact CD1-CD2 3.76Å; S384-L388 WeakPolarHBondContact O-CB 3.37Å; S384-L388 PolarHBondContact O-N 2.94Å; K385-L388 PolarHBondContact O-N 3.43Å; Q386-L388 PolarHBondContact O-N 3.48Å; L388-V390 VanDerWaalsContact C-N 3.27Å; L388-V390 PolarHBondContact O-N 3.24Å; L388-I391 PolarHBondContact O-N 3.17Å; L388-D392 WeakPolarHBondContact O-CB 3.46Å; L388-D392 PolarHBondContact O-N 3.29Å; L388-L420 HydrophobicContact CB-CD1 4.34Å; L388-L420 HydrophobicContact CB-CD2 4.11Å; L388-I425 HydrophobicContact CD1-CG2 3.66Å; L388-I425 HydrophobicContact CD2-CD1 4.17Å; L388-I425 HydrophobicContact CD2-CG2 4.33Å
389N97.6Very high97.5Very high102 Ų10258.9 Ų58.955%0.54529%0.286SS..Hα-helixtrans-62.8-34.6175.3-68.3-19000112.4K385 Q386 L387 R393K385-N389 VanDerWaalsContact O-CG 3.27Å; K385-N389 PolarHBondContact O-N 3.46Å; K385-N389 PolarHBondContact O-ND2 3Å; Q386-N389 WeakPolarHBondContact O-CB 3.49Å; Q386-N389 PolarHBondContact O-N 2.85Å; L387-N389 VanDerWaalsContact C-N 3.32Å; L387-N389 PolarHBondContact O-N 3.45Å; N389-R393 VanDerWaalsContact O-CB 3.29Å; N389-R393 WeakPolarHBondContact O-CB 3.44Å; N389-R393 PolarHBondContact O-N 3.31Å; N389-R393 VanDerWaalsContact O-N 3.08Å
390V98.5Very high97.7Very high23 Ų2358.1 Ų58.114%0.13928%0.282CS..Hα-helixtrans-66.3-45.2173.51730000110.3Q386 L387 L388 R393 N394 L405 L408 E410Q386-V390 WeakPolarHBondContact O-CG2 3.4Å; Q386-V390 PolarHBondContact O-N 2.91Å; Q386-V390 VanDerWaalsContact O-N 3.08Å; L387-V390 WeakPolarHBondContact O-CB 3.48Å; L387-V390 PolarHBondContact O-N 3.01Å; L387-V390 VanDerWaalsContact O-N 3.13Å; L388-V390 VanDerWaalsContact C-N 3.27Å; L388-V390 PolarHBondContact O-N 3.24Å; V390-R393 PolarHBondContact O-N 3.11Å; V390-N394 WeakPolarHBondContact O-CB 3.5Å; V390-N394 PolarHBondContact O-N 2.97Å; V390-N394 PolarHBondContact O-ND2 3.3Å; V390-L405 HydrophobicContact CG1-CD2 4.34Å; V390-L408 HydrophobicContact CG1-CD1 3.88Å; V390-E410 HydrophobicContact CG1-CG 4.27Å; V390-E410 HydrophobicContact CG2-CG 4.34Å; V390-E410 WeakPolarHBondContact CG2-OE1 3.3Å
391I98.5Very high97.9Very high0 Ų046.5 Ų46.50%024%0.238CC..Hα-helixtrans-60.8-49.2177.2-67.7164.3000110.6K370 L387 L388 R393 N394 F395 S396 F400 L420 V426K370-I391 HydrophobicContact CB-CG2 4.49Å; L387-I391 HydrophobicContact CG-CD1 4.13Å; L387-I391 WeakPolarHBondContact O-CG1 3.29Å; L387-I391 PolarHBondContact O-N 2.9Å; L388-I391 PolarHBondContact O-N 3.17Å; I391-R393 VanDerWaalsContact C-N 3.31Å; I391-R393 PolarHBondContact O-N 3.25Å; I391-N394 PolarHBondContact O-N 2.96Å; I391-F395 HydrophobicContact CG1-CD2 4.46Å; I391-F395 HydrophobicContact CG2-CD2 4.48Å; I391-F395 WeakPolarHBondContact O-CA 3.37Å; I391-F395 PolarHBondContact O-N 3.49Å; I391-S396 PolarHBondContact O-N 2.75Å; I391-F400 HydrophobicContact CD1-CE1 4.07Å; I391-F400 HydrophobicContact CD1-CE2 4.3Å; I391-F400 HydrophobicContact CD1-CZ 3.54Å; I391-F400 HydrophobicContact CG1-CE1 3.99Å; I391-F400 HydrophobicContact CG1-CE2 4.31Å; I391-F400 HydrophobicContact CG1-CZ 3.75Å; I391-F400 HydrophobicContact CG2-CD1 4.42Å; I391-F400 HydrophobicContact CG2-CE1 3.79Å; I391-F400 HydrophobicContact CG2-CZ 4.38Å; I391-L420 HydrophobicContact CD1-CD1 3.72Å; I391-V426 HydrophobicContact CD1-CG2 4.07Å
392D97.5Very high98.1Very high57 Ų5744.1 Ų44.131%0.30522%0.223SC..Hα-helixtrans-61.2-38.5-179.6-75.3-18.9000112.4K370 L388K370-D392 IonicContact NZ-OD1 2.74Å; K370-D392 PolarHBondContact NZ-OD1 2.75Å; K370-D392 IonicContact NZ-OD2 3.25Å; L388-D392 WeakPolarHBondContact O-CB 3.46Å; L388-D392 PolarHBondContact O-N 3.29Å
393R97.8Very high98.2Very high195 Ų19541 Ų4174%0.73619%0.194SC*.Hα-helixtrans-72.6-39.5-179.8-179-179.1-67.6170-1.9113.1N389 V390 I391N389-R393 VanDerWaalsContact O-CB 3.29Å; N389-R393 WeakPolarHBondContact O-CB 3.44Å; N389-R393 PolarHBondContact O-N 3.31Å; N389-R393 VanDerWaalsContact O-N 3.08Å; V390-R393 PolarHBondContact O-N 3.11Å; I391-R393 VanDerWaalsContact C-N 3.31Å; I391-R393 PolarHBondContact O-N 3.25Å
394N98.5Very high98.3Very high55 Ų5538.2 Ų38.229%0.29418%0.182SC..Hα-helixtrans-102.4-29.6-168.4-64.6-83.8000113.4V390 I391 L408V390-N394 WeakPolarHBondContact O-CB 3.5Å; V390-N394 PolarHBondContact O-N 2.97Å; V390-N394 PolarHBondContact O-ND2 3.3Å; I391-N394 PolarHBondContact O-N 2.96Å; N394-L408 HydrophobicContact CB-CD1 3.97Å
395F98.4Very high98.3Very high20 Ų2038.2 Ų38.29%0.08818%0.182CC..THydrogen-bonded Turntrans-125.3-28.1-172.9-45.5-56.6000112.5I391 T397 L398 F400 W404 L405 L408I391-F395 HydrophobicContact CG1-CD2 4.46Å; I391-F395 HydrophobicContact CG2-CD2 4.48Å; I391-F395 WeakPolarHBondContact O-CA 3.37Å; I391-F395 PolarHBondContact O-N 3.49Å; F395-T397 PolarHBondContact O-N 2.78Å; F395-L398 VanDerWaalsContact O-CB 3.25Å; F395-L398 WeakPolarHBondContact O-CB 3.34Å; F395-L398 PolarHBondContact O-N 3.3Å; F395-F400 HydrophobicContact CB-CB 4.44Å; F395-F400 HydrophobicContact CB-CD1 4.17Å; F395-F400 HydrophobicContact CD1-CB 3.89Å; F395-F400 HydrophobicContact CD2-CB 3.6Å; F395-F400 AromaticContact CD2-CD1 3.66Å; F395-F400 HydrophobicContact CD2-CD1 3.66Å; F395-F400 HydrophobicContact CD2-CD2 4.23Å; F395-F400 HydrophobicContact CD2-CE1 4.41Å; F395-F400 AromaticContact CD2-CG 3.56Å; F395-F400 HydrophobicContact CD2-CG 3.56Å; F395-F400 HydrophobicContact CE1-CB 4Å; F395-F400 HydrophobicContact CE2-CB 3.72Å; F395-F400 HydrophobicContact CE2-CD1 4.35Å; F395-F400 HydrophobicContact CE2-CD2 4.12Å; F395-F400 AromaticContact CE2-CG 3.81Å; F395-F400 HydrophobicContact CE2-CG 3.81Å; F395-F400 HydrophobicContact CG-CB 3.7Å; F395-F400 HydrophobicContact CG-CD1 4.05Å; F395-F400 HydrophobicContact CG-CG 4.07Å; F395-F400 HydrophobicContact CZ-CB 3.93Å; F395-F400 HydrophobicContact CZ-CG 4.49Å; F395-W404 HydrophobicContact CD1-CE3 4.26Å; F395-W404 HydrophobicContact CE1-CB 4.3Å; F395-W404 AromaticContact CE1-CE3 3.8Å; F395-W404 HydrophobicContact CE1-CE3 3.8Å; F395-W404 HydrophobicContact CZ-CB 3.98Å; F395-W404 HydrophobicContact CZ-CE3 4.44Å; F395-L405 HydrophobicContact CE2-CD2 3.95Å; F395-L408 HydrophobicContact CE2-CD1 4.21Å; F395-L408 HydrophobicContact CZ-CD1 3.76Å
396S97.7Very high98.4Very high36 Ų3636.4 Ų36.425%0.25218%0.177SC..THydrogen-bonded Turntrans54.3-108-172.2-177.30000110.6K370 I391K370-S396 VanDerWaalsContact CB-O 3.32Å; K370-S396 WeakPolarHBondContact CB-O 3.48Å; I391-S396 PolarHBondContact O-N 2.75Å
397T98.5Very high98.4Very high20 Ų2039.6 Ų39.612%0.12319%0.185CC..THydrogen-bonded Turntrans-105.50.2176.652.40000113.6Y321 M369 F372 F395Y321-T397 WeakPolarHBondContact CB-OG1 3.2Å; Y321-T397 WeakPolarHBondContact O-CB 2.82Å; Y321-T397 PolarHBondContact O-OG1 3.37Å; M369-T397 VanDerWaalsContact CG-O 3.23Å; M369-T397 WeakPolarHBondContact CG-O 3.32Å; F372-T397 HydrophobicContact CD2-CG2 3.79Å; F372-T397 HydrophobicContact CE2-CG2 4.41Å; F395-T397 PolarHBondContact O-N 2.78Å
398L98.8Very high98.3Very high7 Ų743.2 Ų43.24%0.03720%0.204CC..SBendtrans-68.9152.2170.4-62.2173.6000110.6H240 I245 Y321 F395H240-L398 VanDerWaalsContact NE2-CD1 3.29Å; H240-L398 WeakPolarHBondContact NE2-CD1 3.35Å; I245-L398 HydrophobicContact CD1-CD2 3.82Å; I245-L398 HydrophobicContact CG1-CD2 4.25Å; Y321-L398 HydrophobicContact CD1-CD1 4.06Å; Y321-L398 HydrophobicContact CD1-CD2 4.26Å; Y321-L398 HydrophobicContact CD1-CG 4.06Å; F395-L398 VanDerWaalsContact O-CB 3.25Å; F395-L398 WeakPolarHBondContact O-CB 3.34Å; F395-L398 PolarHBondContact O-N 3.3Å
399A98.8Very high98.3Very high10 Ų1045 Ų458%0.08323%0.227CC..EExtended strand (participates in β ladder)trans-73.8151.9176.600000110.7A203 F204 Y368 M369 W404A203-A399 PolarHBondContact O-N 3.01Å; F204-A399 HydrophobicContact CB-CB 3.81Å; Y368-A399 CarbonylContact O-C 3.59Å; Y368-A399 WeakPolarHBondContact O-CA 3.21Å; M369-A399 HydrophobicContact CB-CB 4.09Å; M369-A399 HydrophobicContact CG-CB 4.19Å; M369-A399 HydrophobicContact SD-CB 4.05Å; A399-W404 VanDerWaalsContact O-CZ3 3.31Å; A399-W404 WeakPolarHBondContact O-CZ3 3.43Å
400F98.9Very high98.3Very high0 Ų041.1 Ų41.10%021%0.206CC..EExtended strand (participates in β ladder)trans-142.7167.5177.463.7-87.2000110.6Y368 I391 F395 W404 L405 L417 V426Y368-F400 VanDerWaalsContact CB-CZ 3.48Å; Y368-F400 HydrophobicContact CD2-CE2 4.43Å; Y368-F400 HydrophobicContact CG-CE2 4.25Å; Y368-F400 HydrophobicContact CG-CZ 4.41Å; Y368-F400 PolarHBondContact N-O 3.01Å; Y368-F400 WeakPolarHBondContact O-CD1 2.94Å; Y368-F400 PolarHBondContact O-N 2.76Å; Y368-F400 VanDerWaalsContact O-O 3.11Å; I391-F400 HydrophobicContact CD1-CE1 4.07Å; I391-F400 HydrophobicContact CD1-CE2 4.3Å; I391-F400 HydrophobicContact CD1-CZ 3.54Å; I391-F400 HydrophobicContact CG1-CE1 3.99Å; I391-F400 HydrophobicContact CG1-CE2 4.31Å; I391-F400 HydrophobicContact CG1-CZ 3.75Å; I391-F400 HydrophobicContact CG2-CD1 4.42Å; I391-F400 HydrophobicContact CG2-CE1 3.79Å; I391-F400 HydrophobicContact CG2-CZ 4.38Å; F395-F400 HydrophobicContact CB-CB 4.44Å; F395-F400 HydrophobicContact CB-CD1 4.17Å; F395-F400 HydrophobicContact CD1-CB 3.89Å; F395-F400 HydrophobicContact CD2-CB 3.6Å; F395-F400 AromaticContact CD2-CD1 3.66Å; F395-F400 HydrophobicContact CD2-CD1 3.66Å; F395-F400 HydrophobicContact CD2-CD2 4.23Å; F395-F400 HydrophobicContact CD2-CE1 4.41Å; F395-F400 AromaticContact CD2-CG 3.56Å; F395-F400 HydrophobicContact CD2-CG 3.56Å; F395-F400 HydrophobicContact CE1-CB 4Å; F395-F400 HydrophobicContact CE2-CB 3.72Å; F395-F400 HydrophobicContact CE2-CD1 4.35Å; F395-F400 HydrophobicContact CE2-CD2 4.12Å; F395-F400 AromaticContact CE2-CG 3.81Å; F395-F400 HydrophobicContact CE2-CG 3.81Å; F395-F400 HydrophobicContact CG-CB 3.7Å; F395-F400 HydrophobicContact CG-CD1 4.05Å; F395-F400 HydrophobicContact CG-CG 4.07Å; F395-F400 HydrophobicContact CZ-CB 3.93Å; F395-F400 HydrophobicContact CZ-CG 4.49Å; F400-W404 HydrophobicContact CB-CE3 3.76Å; F400-W404 HydrophobicContact CB-CZ3 4.32Å; F400-L405 HydrophobicContact CD2-CD1 4.29Å; F400-L405 HydrophobicContact CD2-CD2 4.4Å; F400-L405 HydrophobicContact CD2-CG 4.17Å; F400-L405 HydrophobicContact CE2-CD1 3.92Å; F400-L405 HydrophobicContact CE2-CD2 4.41Å; F400-L405 HydrophobicContact CE2-CG 4.25Å; F400-L417 HydrophobicContact CE2-CD1 4.27Å; F400-L417 HydrophobicContact CZ-CD1 4.21Å; F400-V426 HydrophobicContact CZ-CG1 4.17Å
401C98.9Very high98.2Very high0 Ų044.5 Ų44.50%023%0.226CC..EExtended strand (participates in β ladder)trans-124.6170.2174.369.80000112.1P205 T218 S366 R403 W404 L405P205-C401 HydrophobicContact CB-CB 3.74Å; P205-C401 HydrophobicContact CG-CB 3.59Å; T218-C401 HydrophobicContact CG2-CB 3.79Å; S366-C401 WeakPolarHBondContact O-CA 3.47Å; S366-C401 WeakPolarHBondContact O-CB 3.43Å; C401-R403 VanDerWaalsContact C-N 3.33Å; C401-R403 PolarHBondContact O-N 2.94Å; C401-W404 PolarHBondContact O-N 3.28Å; C401-W404 VanDerWaalsContact O-N 3.16Å; C401-L405 PolarHBondContact O-N 2.69Å
402R98.7Very high98.1Very high38 Ų3853.9 Ų53.914%0.14327%0.267CS..Hα-helixtrans-57.9-42.5177.6-62-165-172.6162.17.8112.8N220 E364 V365 S366 Y368 W404 L405 D406 Y413N220-R402 PolarHBondContact ND2-NH1 2.66Å; N220-R402 WeakPolarHBondContact OD1-CB 3.43Å; N220-R402 WeakPolarHBondContact OD1-CD 3.44Å; N220-R402 WeakPolarHBondContact OD1-CG 3.49Å; E364-R402 IonicContact OE1-CZ 3.49Å; E364-R402 IonicContact OE1-NH1 3.59Å; E364-R402 PolarHBondContact OE1-NH1 2.75Å; V365-R402 PolarHBondContact O-NE 2.76Å; V365-R402 PolarHBondContact O-NH2 3.18Å; S366-R402 PolarHBondContact O-N 3.5Å; Y368-R402 HydrophobicContact CE2-CG 3.84Å; Y368-R402 PolarHBondContact OH-NE 3.16Å; Y368-R402 PolarHBondContact OH-NH2 2.75Å; R402-W404 PolarHBondContact O-N 2.68Å; R402-L405 WeakPolarHBondContact O-CA 3.22Å; R402-L405 WeakPolarHBondContact O-CB 3.49Å; R402-L405 PolarHBondContact O-N 2.81Å; R402-D406 VanDerWaalsContact O-CG 3.26Å; R402-D406 PolarHBondContact O-N 2.91Å; R402-Y413 WeakPolarHBondContact CB-OH 3.5Å; R402-Y413 HydrophobicContact CG-CE2 4.44Å; R402-Y413 PolarHBondContact O-OH 2.88Å
403R98.6Very high98.2Very high13 Ų1351.7 Ų51.75%0.04926%0.255CS..Hα-helixtrans-57-34.1177.3-70.1-175.2-6797.62.9112.8E186 T218 P219 C401 D406 R407E186-R403 IonicContact OE1-CZ 3.12Å; E186-R403 VanDerWaalsContact OE1-CZ 3.28Å; E186-R403 IonicContact OE1-NH1 2.82Å; E186-R403 PolarHBondContact OE1-NH1 2.87Å; E186-R403 IonicContact OE1-NH2 3.93Å; E186-R403 PolarHBondContact OE1-NH2 3.2Å; E186-R403 IonicContact OE2-NH1 2.72Å; E186-R403 PolarHBondContact OE2-NH1 3.24Å; T218-R403 PolarHBondContact OG1-NH2 2.97Å; P219-R403 WeakPolarHBondContact O-CD 3.21Å; P219-R403 VanDerWaalsContact O-CG 3.31Å; P219-R403 WeakPolarHBondContact O-CG 3.46Å; P219-R403 PolarHBondContact O-NE 3.05Å; C401-R403 VanDerWaalsContact C-N 3.33Å; C401-R403 PolarHBondContact O-N 2.94Å; R403-D406 WeakPolarHBondContact O-CB 3.31Å; R403-D406 PolarHBondContact O-N 3.43Å; R403-R407 WeakPolarHBondContact O-CB 3.33Å; R403-R407 PolarHBondContact O-N 3.33Å
404W98.7Very high98.2Very high11 Ų1146.8 Ų46.84%0.04224%0.243CC..Hα-helixtrans-72.7-35.1178-64.3-1.4000112E186 L202 F204 P205 F395 A399 F400 C401 R402 R407 L408E186-W404 PolarHBondContact OE1-NE1 3.23Å; E186-W404 VanDerWaalsContact OE1-NE1 3.12Å; E186-W404 PolarHBondContact OE2-NE1 3.18Å; L202-W404 HydrophobicContact CB-CH2 3.62Å; L202-W404 HydrophobicContact CB-CZ2 3.97Å; L202-W404 HydrophobicContact CB-CZ3 4.49Å; L202-W404 HydrophobicContact CD1-CH2 4.15Å; L202-W404 HydrophobicContact CD1-CZ2 3.6Å; L202-W404 HydrophobicContact CG-CZ2 4.44Å; F204-W404 WeakPolarHBondContact O-CH2 3.36Å; P205-W404 VanDerWaalsContact CA-CZ2 3.49Å; P205-W404 HydrophobicContact CB-CH2 4.43Å; P205-W404 HydrophobicContact CB-CZ2 4.2Å; P205-W404 HydrophobicContact CG-CH2 4.25Å; P205-W404 HydrophobicContact CG-CZ2 4.43Å; P205-W404 HydrophobicContact CG-CZ3 4.31Å; F395-W404 HydrophobicContact CD1-CE3 4.26Å; F395-W404 HydrophobicContact CE1-CB 4.3Å; F395-W404 AromaticContact CE1-CE3 3.8Å; F395-W404 HydrophobicContact CE1-CE3 3.8Å; F395-W404 HydrophobicContact CZ-CB 3.98Å; F395-W404 HydrophobicContact CZ-CE3 4.44Å; A399-W404 VanDerWaalsContact O-CZ3 3.31Å; A399-W404 WeakPolarHBondContact O-CZ3 3.43Å; F400-W404 HydrophobicContact CB-CE3 3.76Å; F400-W404 HydrophobicContact CB-CZ3 4.32Å; C401-W404 PolarHBondContact O-N 3.28Å; C401-W404 VanDerWaalsContact O-N 3.16Å; R402-W404 PolarHBondContact O-N 2.68Å; W404-R407 PolarHBondContact O-N 2.98Å; W404-L408 WeakPolarHBondContact O-CG 3.37Å; W404-L408 PolarHBondContact O-N 3.27Å
405L98.7Very high98.1Very high0 Ų051.7 Ų51.70%027%0.266CS..Hα-helixtrans-64.3-41.9169-64.1176000111.2L387 V390 F395 F400 C401 R402 R407 L408 G409 E410 Y413 L417L387-L405 HydrophobicContact CD1-CD1 4.13Å; L387-L405 HydrophobicContact CD1-CD2 3.95Å; V390-L405 HydrophobicContact CG1-CD2 4.34Å; F395-L405 HydrophobicContact CE2-CD2 3.95Å; F400-L405 HydrophobicContact CD2-CD1 4.29Å; F400-L405 HydrophobicContact CD2-CD2 4.4Å; F400-L405 HydrophobicContact CD2-CG 4.17Å; F400-L405 HydrophobicContact CE2-CD1 3.92Å; F400-L405 HydrophobicContact CE2-CD2 4.41Å; F400-L405 HydrophobicContact CE2-CG 4.25Å; C401-L405 PolarHBondContact O-N 2.69Å; R402-L405 WeakPolarHBondContact O-CA 3.22Å; R402-L405 WeakPolarHBondContact O-CB 3.49Å; R402-L405 PolarHBondContact O-N 2.81Å; L405-R407 PolarHBondContact O-N 3.3Å; L405-L408 PolarHBondContact O-N 3.18Å; L405-L408 VanDerWaalsContact O-N 3.17Å; L405-G409 PolarHBondContact O-N 2.66Å; L405-E410 HydrophobicContact CB-CB 4.36Å; L405-E410 WeakPolarHBondContact O-CB 3.17Å; L405-E410 PolarHBondContact O-N 2.69Å; L405-E410 VanDerWaalsContact O-N 3.11Å; L405-Y413 HydrophobicContact CB-CD1 4.46Å; L405-Y413 HydrophobicContact CB-CE1 4.02Å; L405-Y413 HydrophobicContact CB-CE2 4.26Å; L405-Y413 HydrophobicContact CD1-CD2 3.73Å; L405-Y413 HydrophobicContact CD1-CE2 3.63Å; L405-Y413 HydrophobicContact CD1-CG 4.35Å; L405-L417 HydrophobicContact CD1-CD2 4.33Å
406D98.3Very high98.1Very high67 Ų6751 Ų5136%0.35826%0.263SS..Hα-helixtrans-60.5-44.5176.4-58-30.8000111.2R402 R403 L408 G409 Y413R402-D406 VanDerWaalsContact O-CG 3.26Å; R402-D406 PolarHBondContact O-N 2.91Å; R403-D406 WeakPolarHBondContact O-CB 3.31Å; R403-D406 PolarHBondContact O-N 3.43Å; D406-L408 PolarHBondContact O-N 2.8Å; D406-G409 WeakPolarHBondContact O-CA 3.17Å; D406-G409 PolarHBondContact O-N 3.02Å; D406-Y413 WeakPolarHBondContact OD1-CE1 3.45Å; D406-Y413 VanDerWaalsContact OD1-CZ 3.28Å; D406-Y413 PolarHBondContact OD1-OH 2.99Å
407R97.6Very high98.1Very high158 Ų15849.3 Ų49.360%0.59625%0.252SS*.Hα-helixtrans-58.7-33.2175.3171.1178.2-84.7-83.80.7112.7R403 W404 L405 G409R403-R407 WeakPolarHBondContact O-CB 3.33Å; R403-R407 PolarHBondContact O-N 3.33Å; W404-R407 PolarHBondContact O-N 2.98Å; L405-R407 PolarHBondContact O-N 3.3Å; R407-G409 PolarHBondContact O-N 3.01Å
408L97.9Very high98.1Very high76 Ų7654.2 Ų54.240%0.39827%0.271SS..THydrogen-bonded Turntrans-78.81.5175.7-66.1172.3000113.2V390 N394 F395 W404 L405 D406 E410V390-L408 HydrophobicContact CG1-CD1 3.88Å; N394-L408 HydrophobicContact CB-CD1 3.97Å; F395-L408 HydrophobicContact CE2-CD1 4.21Å; F395-L408 HydrophobicContact CZ-CD1 3.76Å; W404-L408 WeakPolarHBondContact O-CG 3.37Å; W404-L408 PolarHBondContact O-N 3.27Å; L405-L408 PolarHBondContact O-N 3.18Å; L405-L408 VanDerWaalsContact O-N 3.17Å; D406-L408 PolarHBondContact O-N 2.8Å; L408-E410 VanDerWaalsContact C-N 3.32Å
409G97.8Very high98.1Very high56 Ų5655.4 Ų55.458%0.57728%0.278SS*.THydrogen-bonded Turntrans79.710-179.800000114.2L405 D406 R407 T411L405-G409 PolarHBondContact O-N 2.66Å; D406-G409 WeakPolarHBondContact O-CA 3.17Å; D406-G409 PolarHBondContact O-N 3.02Å; R407-G409 PolarHBondContact O-N 3.01Å; G409-T411 PolarHBondContact O-N 3.04Å
410E98.1Very high98.1Very high21 Ų2155 Ų5510%0.09827%0.274CS..  trans-69.9132.4173.7-76.1-62.6148.900110.1K383 Q386 L387 V390 L405 L408 Y413K383-E410 IonicContact NZ-OE2 3Å; K383-E410 PolarHBondContact NZ-OE2 3.2Å; Q386-E410 PolarHBondContact NE2-OE1 2.84Å; L387-E410 HydrophobicContact CD1-CG 4.47Å; V390-E410 HydrophobicContact CG1-CG 4.27Å; V390-E410 HydrophobicContact CG2-CG 4.34Å; V390-E410 WeakPolarHBondContact CG2-OE1 3.3Å; L405-E410 HydrophobicContact CB-CB 4.36Å; L405-E410 WeakPolarHBondContact O-CB 3.17Å; L405-E410 PolarHBondContact O-N 2.69Å; L405-E410 VanDerWaalsContact O-N 3.11Å; L408-E410 VanDerWaalsContact C-N 3.32Å; E410-Y413 HydrophobicContact CB-CD1 3.81Å; E410-Y413 HydrophobicContact CB-CE1 4.39Å; E410-Y413 WeakPolarHBondContact O-CD1 3.42Å; E410-Y413 WeakPolarHBondContact O-CE1 3.39Å
411T96.8Very high98Very high94 Ų9456.2 Ų56.258%0.57728%0.282SS*.  trans-131155.1178.361.20000110.4K383 G409 Y413K383-T411 WeakPolarHBondContact CE-O 3.35Å; K383-T411 PolarHBondContact NZ-O 2.76Å; G409-T411 PolarHBondContact O-N 3.04Å; T411-Y413 PolarHBondContact O-N 2.95Å; T411-Y413 VanDerWaalsContact O-N 3.1Å
412K96.4Very high97.9Very high197 Ų19761.1 Ų61.186%0.85731%0.309SS*.SBendtrans51.733.7179.4-58.6177.6-179.81770112.9
413Y97.9Very high97.9Very high12 Ų1262.3 Ų62.35%0.04732%0.32CS..  trans-88.9-12.2-174.258.2-99.4000113.8R402 L405 D406 E410 T411 M415 A416 L417R402-Y413 WeakPolarHBondContact CB-OH 3.5Å; R402-Y413 HydrophobicContact CG-CE2 4.44Å; R402-Y413 PolarHBondContact O-OH 2.88Å; L405-Y413 HydrophobicContact CB-CD1 4.46Å; L405-Y413 HydrophobicContact CB-CE1 4.02Å; L405-Y413 HydrophobicContact CB-CE2 4.26Å; L405-Y413 HydrophobicContact CD1-CD2 3.73Å; L405-Y413 HydrophobicContact CD1-CE2 3.63Å; L405-Y413 HydrophobicContact CD1-CG 4.35Å; D406-Y413 WeakPolarHBondContact OD1-CE1 3.45Å; D406-Y413 VanDerWaalsContact OD1-CZ 3.28Å; D406-Y413 PolarHBondContact OD1-OH 2.99Å; E410-Y413 HydrophobicContact CB-CD1 3.81Å; E410-Y413 HydrophobicContact CB-CE1 4.39Å; E410-Y413 WeakPolarHBondContact O-CD1 3.42Å; E410-Y413 WeakPolarHBondContact O-CE1 3.39Å; T411-Y413 PolarHBondContact O-N 2.95Å; T411-Y413 VanDerWaalsContact O-N 3.1Å; Y413-M415 VanDerWaalsContact C-N 3.32Å; Y413-M415 PolarHBondContact O-N 3.11Å; Y413-A416 CarbonylContact O-C 3.57Å; Y413-A416 WeakPolarHBondContact O-CA 3.37Å; Y413-A416 WeakPolarHBondContact O-CB 3.47Å; Y413-A416 PolarHBondContact O-N 3.16Å; Y413-L417 HydrophobicContact CD2-CB 4.45Å; Y413-L417 HydrophobicContact CD2-CD2 4.35Å; Y413-L417 HydrophobicContact CE2-CD2 4.36Å; Y413-L417 PolarHBondContact O-N 2.94Å
414L97.6Very high97.8Very high92 Ų9263 Ų6348%0.48233%0.331SS..Hα-helixtrans-54.8-41.2-172.3-65.8177.7000114L417 K418L414-L417 PolarHBondContact O-N 3.39Å; L414-K418 WeakPolarHBondContact O-CB 3.19Å; L414-K418 PolarHBondContact O-N 3.37Å
415M97.5Very high97.8Very high157 Ų15762.6 Ų62.677%0.77333%0.33SS*.Hα-helixtrans-69-35.5176.7-177.3178.4-89.300112.1Y413 N419Y413-M415 VanDerWaalsContact C-N 3.32Å; Y413-M415 PolarHBondContact O-N 3.11Å; M415-N419 WeakPolarHBondContact O-CB 3.29Å; M415-N419 PolarHBondContact O-N 2.87Å
416A98.3Very high97.8Very high5 Ų562.6 Ų62.64%0.04133%0.33CS..Hα-helixtrans-68.3-42.8174.500000111.1K383 L387 Y413 N419 L420K383-A416 HydrophobicContact CB-CB 4.25Å; K383-A416 HydrophobicContact CG-CB 3.88Å; L387-A416 HydrophobicContact CB-CB 4.36Å; L387-A416 HydrophobicContact CD2-CB 3.91Å; Y413-A416 CarbonylContact O-C 3.57Å; Y413-A416 WeakPolarHBondContact O-CA 3.37Å; Y413-A416 WeakPolarHBondContact O-CB 3.47Å; Y413-A416 PolarHBondContact O-N 3.16Å; A416-N419 WeakPolarHBondContact O-CB 3.26Å; A416-N419 PolarHBondContact O-N 3.48Å; A416-L420 WeakPolarHBondContact O-CG 3.43Å; A416-L420 PolarHBondContact O-N 3.29Å
417L98.4Very high97.8Very high1 Ų161.8 Ų61.81%0.00533%0.326CS..Hα-helixtrans-62.1-47.1175.8-174.856.8000111.2Y368 L387 F400 L405 Y413 L414 N419 L420 C421 V426Y368-L417 HydrophobicContact CD1-CD1 3.92Å; Y368-L417 HydrophobicContact CD1-CD2 4.01Å; Y368-L417 HydrophobicContact CD1-CG 4Å; Y368-L417 HydrophobicContact CD2-CD2 3.89Å; Y368-L417 HydrophobicContact CE1-CD1 4.27Å; Y368-L417 HydrophobicContact CE1-CD2 3.71Å; Y368-L417 HydrophobicContact CE1-CG 3.82Å; Y368-L417 HydrophobicContact CE2-CD2 3.61Å; Y368-L417 HydrophobicContact CG-CD1 4.16Å; Y368-L417 HydrophobicContact CG-CD2 4.09Å; Y368-L417 HydrophobicContact CG-CG 4.44Å; L387-L417 HydrophobicContact CD2-CB 3.8Å; L387-L417 HydrophobicContact CD2-CD1 4.32Å; F400-L417 HydrophobicContact CE2-CD1 4.27Å; F400-L417 HydrophobicContact CZ-CD1 4.21Å; L405-L417 HydrophobicContact CD1-CD2 4.33Å; Y413-L417 HydrophobicContact CD2-CB 4.45Å; Y413-L417 HydrophobicContact CD2-CD2 4.35Å; Y413-L417 HydrophobicContact CE2-CD2 4.36Å; Y413-L417 PolarHBondContact O-N 2.94Å; L414-L417 PolarHBondContact O-N 3.39Å; L417-N419 VanDerWaalsContact C-N 3.28Å; L417-N419 PolarHBondContact O-N 2.85Å; L417-L420 WeakPolarHBondContact O-CB 3.5Å; L417-L420 PolarHBondContact O-N 3.25Å; L417-L420 VanDerWaalsContact O-N 3.11Å; L417-C421 PolarHBondContact O-N 2.84Å; L417-C421 PolarHBondContact O-SG 3.48Å; L417-V426 HydrophobicContact CD1-CG1 4.27Å
418K97.9Very high97.8Very high123 Ų12357.2 Ų57.254%0.53532%0.316SS..Hα-helixtrans-55.6-44.9172.8-172.5-168.8-178.6-52.50111.1L414 L420 C421 D422L414-K418 WeakPolarHBondContact O-CB 3.19Å; L414-K418 PolarHBondContact O-N 3.37Å; K418-L420 VanDerWaalsContact C-N 3.34Å; K418-L420 PolarHBondContact O-N 3.41Å; K418-C421 WeakPolarHBondContact O-CB 3.3Å; K418-C421 PolarHBondContact O-N 2.8Å; K418-C421 VanDerWaalsContact O-N 3.13Å; K418-D422 IonicContact NZ-OD1 2.71Å; K418-D422 PolarHBondContact NZ-OD1 2.9Å; K418-D422 IonicContact NZ-OD2 2.86Å; K418-D422 PolarHBondContact NZ-OD2 2.93Å; K418-D422 PolarHBondContact O-N 3.46Å
419N98Very high97.9Very high33 Ų3356.7 Ų56.718%0.17631%0.31CS..Hα-helixtrans-61.8-40.3178176-119.7000112.4L381 S384 M415 A416 L417 C421 D422 V423L381-N419 HydrophobicContact CD1-CB 4.22Å; S384-N419 WeakPolarHBondContact CB-OD1 3.45Å; S384-N419 PolarHBondContact OG-OD1 2.9Å; M415-N419 WeakPolarHBondContact O-CB 3.29Å; M415-N419 PolarHBondContact O-N 2.87Å; A416-N419 WeakPolarHBondContact O-CB 3.26Å; A416-N419 PolarHBondContact O-N 3.48Å; L417-N419 VanDerWaalsContact C-N 3.28Å; L417-N419 PolarHBondContact O-N 2.85Å; N419-C421 VanDerWaalsContact C-N 3.26Å; N419-C421 PolarHBondContact O-N 3.49Å; N419-D422 PolarHBondContact O-N 3.11Å; N419-V423 WeakPolarHBondContact O-CG2 3.48Å; N419-V423 PolarHBondContact O-N 3.21Å; N419-V423 VanDerWaalsContact O-N 3.14Å
420L98.5Very high97.9Very high0 Ų055 Ų550%029%0.288CS..Hα-helixtrans-62-34.7174.5-65.5177.5000112.2L379 L387 L388 I391 A416 L417 K418 V423 G424 I425 V426L379-L420 HydrophobicContact CD1-CD2 3.54Å; L379-L420 HydrophobicContact CD2-CD2 4.1Å; L379-L420 HydrophobicContact CG-CD2 4.47Å; L387-L420 HydrophobicContact CB-CD1 4.37Å; L387-L420 HydrophobicContact CD2-CD1 3.94Å; L387-L420 HydrophobicContact CG-CD1 4.09Å; L388-L420 HydrophobicContact CB-CD1 4.34Å; L388-L420 HydrophobicContact CB-CD2 4.11Å; I391-L420 HydrophobicContact CD1-CD1 3.72Å; A416-L420 WeakPolarHBondContact O-CG 3.43Å; A416-L420 PolarHBondContact O-N 3.29Å; L417-L420 WeakPolarHBondContact O-CB 3.5Å; L417-L420 PolarHBondContact O-N 3.25Å; L417-L420 VanDerWaalsContact O-N 3.11Å; K418-L420 VanDerWaalsContact C-N 3.34Å; K418-L420 PolarHBondContact O-N 3.41Å; L420-V423 WeakPolarHBondContact O-CG2 3.39Å; L420-G424 PolarHBondContact O-N 2.59Å; L420-I425 HydrophobicContact CD2-CD1 4.12Å; L420-I425 PolarHBondContact O-N 3.27Å; L420-V426 HydrophobicContact CB-CB 4.08Å; L420-V426 HydrophobicContact CB-CG2 3.86Å; L420-V426 HydrophobicContact CD1-CG2 4.16Å; L420-V426 PolarHBondContact O-N 3.41Å
421C98Very high97.9Very high26 Ų2654.3 Ų54.318%0.17629%0.286CS..Hα-helixtrans-69.3-47.3171.9-61.60000113.1L417 K418 N419 V423 G424 V426L417-C421 PolarHBondContact O-N 2.84Å; L417-C421 PolarHBondContact O-SG 3.48Å; K418-C421 WeakPolarHBondContact O-CB 3.3Å; K418-C421 PolarHBondContact O-N 2.8Å; K418-C421 VanDerWaalsContact O-N 3.13Å; N419-C421 VanDerWaalsContact C-N 3.26Å; N419-C421 PolarHBondContact O-N 3.49Å; C421-V423 PolarHBondContact O-N 2.97Å; C421-V423 VanDerWaalsContact O-N 3.16Å; C421-G424 PolarHBondContact O-N 3.43Å; C421-V426 WeakPolarHBondContact CA-O 3.32Å; C421-V426 PolarHBondContact SG-O 2.88Å
422D97.3Very high98Very high103 Ų10351.1 Ų51.155%0.55127%0.265SS*.Hα-helixtrans-59.8-29.3-179.5-64.4-24000112.2K418 N419K418-D422 IonicContact NZ-OD1 2.71Å; K418-D422 PolarHBondContact NZ-OD1 2.9Å; K418-D422 IonicContact NZ-OD2 2.86Å; K418-D422 PolarHBondContact NZ-OD2 2.93Å; K418-D422 PolarHBondContact O-N 3.46Å; N419-D422 PolarHBondContact O-N 3.11Å
423V96.9Very high98.1Very high64 Ų6442.6 Ų42.639%0.38823%0.23SC..THydrogen-bonded Turntrans-92.71.9176.5-57.20000114.3L379 N419 L420 C421 I425L379-V423 HydrophobicContact CD2-CG2 3.95Å; N419-V423 WeakPolarHBondContact O-CG2 3.48Å; N419-V423 PolarHBondContact O-N 3.21Å; N419-V423 VanDerWaalsContact O-N 3.14Å; L420-V423 WeakPolarHBondContact O-CG2 3.39Å; C421-V423 PolarHBondContact O-N 2.97Å; C421-V423 VanDerWaalsContact O-N 3.16Å; V423-I425 VanDerWaalsContact C-N 3.35Å; V423-I425 HydrophobicContact CG2-CB 4.31Å; V423-I425 HydrophobicContact CG2-CD1 3.6Å; V423-I425 HydrophobicContact CG2-CG1 3.71Å; V423-I425 PolarHBondContact O-N 3.3Å
424G97.2Very high98.2Very high27 Ų2742.4 Ų42.428%0.27823%0.23SC..THydrogen-bonded Turntrans76.311.117600000116L420 C421L420-G424 PolarHBondContact O-N 2.59Å; C421-G424 PolarHBondContact O-N 3.43Å
425I98.3Very high98.1Very high3 Ų342.1 Ų42.12%0.01523%0.226CC..SBendtrans-75.7-37.7176.3-62.5169.4000110.4K370 N371 V374 V377 L379 L388 L420 V423K370-I425 WeakPolarHBondContact CA-O 3.44Å; K370-I425 HydrophobicContact CG-CG2 4.34Å; K370-I425 WeakPolarHBondContact CG-O 3.35Å; N371-I425 PolarHBondContact N-O 2.87Å; V374-I425 HydrophobicContact CG1-CG1 4.32Å; V377-I425 HydrophobicContact CB-CD1 3.7Å; V377-I425 HydrophobicContact CB-CG1 3.89Å; V377-I425 HydrophobicContact CG1-CD1 4.04Å; V377-I425 HydrophobicContact CG1-CG1 4.32Å; V377-I425 HydrophobicContact CG2-CD1 4.36Å; V377-I425 HydrophobicContact CG2-CG1 3.98Å; L379-I425 HydrophobicContact CD1-CD1 4.18Å; L379-I425 HydrophobicContact CD2-CD1 3.84Å; L379-I425 HydrophobicContact CG-CD1 4.09Å; L388-I425 HydrophobicContact CD1-CG2 3.66Å; L388-I425 HydrophobicContact CD2-CD1 4.17Å; L388-I425 HydrophobicContact CD2-CG2 4.33Å; L420-I425 HydrophobicContact CD2-CD1 4.12Å; L420-I425 PolarHBondContact O-N 3.27Å; V423-I425 VanDerWaalsContact C-N 3.35Å; V423-I425 HydrophobicContact CG2-CB 4.31Å; V423-I425 HydrophobicContact CG2-CD1 3.6Å; V423-I425 HydrophobicContact CG2-CG1 3.71Å; V423-I425 PolarHBondContact O-N 3.3Å
426V98.6Very high98.1Very high0 Ų044.1 Ų44.10%023%0.225CC..EExtended strand (participates in β ladder)trans-122.9129.1-179.2175.30000108.9Y368 M369 I391 F400 L417 L420 C421Y368-V426 HydrophobicContact CD1-CG1 4.13Å; Y368-V426 HydrophobicContact CG-CG1 4.44Å; M369-V426 CarbonylContact O-C 3.55Å; M369-V426 WeakPolarHBondContact O-CA 3.17Å; I391-V426 HydrophobicContact CD1-CG2 4.07Å; F400-V426 HydrophobicContact CZ-CG1 4.17Å; L417-V426 HydrophobicContact CD1-CG1 4.27Å; L420-V426 HydrophobicContact CB-CB 4.08Å; L420-V426 HydrophobicContact CB-CG2 3.86Å; L420-V426 HydrophobicContact CD1-CG2 4.16Å; L420-V426 PolarHBondContact O-N 3.41Å; C421-V426 WeakPolarHBondContact CA-O 3.32Å; C421-V426 PolarHBondContact SG-O 2.88Å
427N98.5Very high98Very high50 Ų5047.1 Ų47.127%0.26726%0.257SS..EExtended strand (participates in β ladder)trans-92.8131.9174.7-64.2-26.7000109.8Y368 M369 Y429Y368-N427 WeakPolarHBondContact CA-O 3.46Å; M369-N427 PolarHBondContact N-O 3.28Å; M369-N427 PolarHBondContact O-N 2.83Å; N427-Y429 HydrophobicContact CB-CD2 4.43Å; N427-Y429 HydrophobicContact CB-CE2 3.65Å; N427-Y429 WeakPolarHBondContact O-CD2 3.48Å
428P98.6Very high98Very high62 Ų6247.3 Ų47.340%0.40326%0.258SS..EExtended strand (participates in β ladder)trans-77.2140.2167.731.8-31.6000110.4V365 Y368V365-P428 HydrophobicContact CG1-CB 3.87Å; V365-P428 HydrophobicContact CG2-CB 4.48Å; Y368-P428 HydrophobicContact CD1-CB 4.26Å; Y368-P428 HydrophobicContact CE1-CB 4.08Å
429Y98.7Very high98Very high65 Ų6543.4 Ų43.426%0.25524%0.24SC..EExtended strand (participates in β ladder)trans-119.888.9174.2-70.4-95000108.2H367 M369 N427H367-Y429 WeakPolarHBondContact CB-O 3.47Å; H367-Y429 PolarHBondContact O-N 3Å; M369-Y429 HydrophobicContact CB-CD2 4.27Å; M369-Y429 HydrophobicContact CB-CE2 3.76Å; M369-Y429 HydrophobicContact CE-CE2 4.01Å; M369-Y429 WeakPolarHBondContact CE-OH 3.42Å; N427-Y429 HydrophobicContact CB-CD2 4.43Å; N427-Y429 HydrophobicContact CB-CE2 3.65Å; N427-Y429 WeakPolarHBondContact O-CD2 3.48Å
430P98.5Very high98Very high19 Ų1941.8 Ų41.812%0.12323%0.232CC..  trans-63.3158.2178.225.2-31.8000111.3H216 D361 V365H216-P430 VanDerWaalsContact CB-O 3.25Å; H216-P430 WeakPolarHBondContact CB-O 3.31Å; D361-P430 HydrophobicContact CB-CB 4.02Å; D361-P430 HydrophobicContact CB-CG 3.65Å; V365-P430 HydrophobicContact CG2-CB 4.06Å
431P98.7Very high98.1Very high8 Ų841.8 Ų41.85%0.05223%0.232CC..  trans-49.3141.4164.7-27.336.3000111.5A215 Y217 D361 G362 E364A215-P431 WeakPolarHBondContact O-CA 3.46Å; Y217-P431 HydrophobicContact CD2-CG 4.32Å; D361-P431 CarbonylContact C-O 3.51Å; G362-P431 PolarHBondContact N-O 2.92Å; E364-P431 WeakPolarHBondContact O-CD 3.49Å
432L98.8Very high98.1Very high26 Ų2640.6 Ų40.614%0.13622%0.224CC..EExtended strand (participates in β ladder)trans-110.1108.6-178.3-61.9-178.6000109.8C213 A214 A215 H216 L313 V359C213-L432 CarbonylContact C-O 3.58Å; A214-L432 PolarHBondContact N-O 3.27Å; A215-L432 HydrophobicContact CB-CB 4.46Å; A215-L432 PolarHBondContact O-N 3.46Å; H216-L432 WeakPolarHBondContact ND1-CD1 3.38Å; L313-L432 HydrophobicContact CD2-CD1 3.54Å; V359-L432 HydrophobicContact CB-CB 3.96Å; V359-L432 HydrophobicContact CG1-CB 4.33Å; V359-L432 HydrophobicContact CG2-CB 3.93Å
433C98.6Very high98.2Very high18 Ų1836.7 Ų36.712%0.12220%0.201CC..EExtended strand (participates in β ladder)trans-117.3130.5-168.3-60.80000112.9H212 V359 I360H212-C433 WeakPolarHBondContact O-CA 3.32Å; V359-C433 CarbonylContact C-O 3.56Å; V359-C433 VanDerWaalsContact CA-O 3.29Å; V359-C433 WeakPolarHBondContact CA-O 3.49Å; I360-C433 WeakPolarHBondContact CG1-O 3.29Å; I360-C433 PolarHBondContact N-O 3Å; I360-C433 PolarHBondContact O-N 3.27Å
434D98.5Very high98.3Very high8 Ų833.6 Ų33.64%0.04318%0.182CC..  trans-78.2-177.1163.1-161.5-31.7000109H212 S353 K356 G357 Y358 V359 R436 T440H212-D434 PolarHBondContact CD2-O 3.28Å; H212-D434 PolarHBondContact O-N 2.97Å; S353-D434 WeakPolarHBondContact CB-OD2 3.43Å; S353-D434 PolarHBondContact OG-OD2 3.46Å; K356-D434 PolarHBondContact N-OD1 3.04Å; K356-D434 PolarHBondContact N-OD2 3.07Å; G357-D434 WeakPolarHBondContact CA-OD2 3.41Å; G357-D434 PolarHBondContact N-OD2 3.41Å; Y358-D434 PolarHBondContact N-OD2 3.35Å; Y358-D434 WeakPolarHBondContact O-CA 3.43Å; V359-D434 HydrophobicContact CG1-CB 4.45Å; D434-R436 PolarHBondContact O-N 3.06Å; D434-T440 HydrophobicContact CB-CG2 4.31Å
435Q96.8Very high98.4Very high87 Ų8732.4 Ų32.441%0.40717%0.17SC..SBendtrans-56.5137.1-178.170.1179.410.300112.2H212 K356 G437 C438H212-Q435 WeakPolarHBondContact CB-O 3.5Å; K356-Q435 HydrophobicContact CG-CG 4.38Å; Q435-G437 PolarHBondContact O-N 3.04Å; Q435-C438 HydrophobicContact CG-CB 4.13Å; Q435-C438 PolarHBondContact O-N 2.78Å; Q435-C438 PolarHBondContact O-SG 3.31Å
436R96.5Very high98.4Very high198 Ų19832.3 Ų32.375%0.74717%0.169SC*.THydrogen-bonded Turntrans-54138.4175.5-70.5-177.4179.9-111.80.2110.8D434D434-R436 PolarHBondContact O-N 3.06Å
437G96.3Very high98.4Very high69 Ų6932.3 Ų32.371%0.71117%0.169SC*.THydrogen-bonded Turntrans90.2-7.4-179.100000114.9Q435Q435-G437 PolarHBondContact O-N 3.04Å
438C98.1Very high98.4Very high5 Ų529.9 Ų29.93%0.03416%0.156CC..  trans-87.3172.4168.682.20000112.1H212 G355 Q435H212-C438 WeakPolarHBondContact CA-O 3.25Å; H212-C438 PolarHBondContact N-O 2.87Å; G355-C438 VanDerWaalsContact CA-CB 3.49Å; Q435-C438 HydrophobicContact CG-CB 4.13Å; Q435-C438 PolarHBondContact O-N 2.78Å; Q435-C438 PolarHBondContact O-SG 3.31Å
439Y98.7Very high98.4Very high40 Ų4027 Ų2716%0.15714%0.137CC..  trans-121.4141.7175.7-56.8-81.7000109.4N211 V232 F258 L300 D301 S353 T354N211-Y439 HydrophobicContact CB-CD1 4.42Å; V232-Y439 HydrophobicContact CG2-CD1 4.02Å; F258-Y439 HydrophobicContact CD1-CD1 4.46Å; F258-Y439 HydrophobicContact CD1-CG 4.4Å; F258-Y439 AromaticContact CE1-CD1 3.52Å; F258-Y439 HydrophobicContact CE1-CD1 3.52Å; F258-Y439 AromaticContact CE1-CD2 3.9Å; F258-Y439 HydrophobicContact CE1-CD2 3.9Å; F258-Y439 AromaticContact CE1-CE1 3.56Å; F258-Y439 HydrophobicContact CE1-CE1 3.56Å; F258-Y439 AromaticContact CE1-CE2 3.92Å; F258-Y439 HydrophobicContact CE1-CE2 3.92Å; F258-Y439 AromaticContact CE1-CG 3.68Å; F258-Y439 HydrophobicContact CE1-CG 3.68Å; F258-Y439 AromaticContact CE1-CZ 3.75Å; F258-Y439 AromaticContact CZ-CD1 3.8Å; F258-Y439 HydrophobicContact CZ-CD1 3.8Å; F258-Y439 AromaticContact CZ-CE1 3.49Å; F258-Y439 HydrophobicContact CZ-CE1 3.49Å; F258-Y439 VanDerWaalsContact CZ-CE1 3.49Å; F258-Y439 HydrophobicContact CZ-CE2 4.49Å; F258-Y439 HydrophobicContact CZ-CG 4.42Å; F258-Y439 AromaticContact CZ-CZ 3.87Å; L300-Y439 HydrophobicContact CD1-CD2 3.6Å; L300-Y439 HydrophobicContact CD1-CE2 4.11Å; L300-Y439 HydrophobicContact CD1-CG 4.41Å; D301-Y439 PolarHBondContact OD2-OH 3.49Å; S353-Y439 WeakPolarHBondContact CA-O 3.35Å; T354-Y439 PolarHBondContact N-O 3.48Å; T354-Y439 PolarHBondContact OG1-N 3.44Å
440T98.9Very high98.3Very high0 Ų025.3 Ų25.30%013%0.13CC..EExtended strand (participates in β ladder)trans-127.5144.2176.564.70000110.1N211 C213 A214 V232 K234 I310 G352 D434N211-T440 PolarHBondContact O-N 2.99Å; N211-T440 PolarHBondContact O-OG1 3.38Å; C213-T440 PolarHBondContact O-OG1 3.42Å; A214-T440 WeakPolarHBondContact CA-OG1 3.01Å; A214-T440 HydrophobicContact CB-CG2 4.35Å; V232-T440 VanDerWaalsContact CG1-O 3.23Å; V232-T440 WeakPolarHBondContact CG1-O 3.37Å; K234-T440 VanDerWaalsContact CD-O 3.3Å; K234-T440 WeakPolarHBondContact CD-O 3.36Å; K234-T440 WeakPolarHBondContact CE-OG1 3.34Å; K234-T440 PolarHBondContact NZ-O 2.8Å; K234-T440 PolarHBondContact NZ-OG1 2.77Å; I310-T440 HydrophobicContact CD1-CG2 3.85Å; G352-T440 CarbonylContact O-C 3.55Å; G352-T440 WeakPolarHBondContact O-CA 3.37Å; D434-T440 HydrophobicContact CB-CG2 4.31Å
441A98.9Very high98.2Very high0 Ų024.4 Ų24.40%012%0.124CC..EExtended strand (participates in β ladder)trans-128.3152.2174.300000109.9T251 L261 V262 V265 F351 G352T251-A441 HydrophobicContact CG2-CB 4.05Å; L261-A441 HydrophobicContact CG-CB 4.13Å; V262-A441 HydrophobicContact CG2-CB 4.19Å; V265-A441 HydrophobicContact CB-CB 4.32Å; V265-A441 HydrophobicContact CG2-CB 3.94Å; F351-A441 VanDerWaalsContact CA-O 3.29Å; F351-A441 WeakPolarHBondContact CA-O 3.36Å; G352-A441 PolarHBondContact N-O 3.24Å; G352-A441 PolarHBondContact O-N 2.71Å
442Q98.9Very high98.1Very high1 Ų124.8 Ų24.81%0.00513%0.127CC..EExtended strand (participates in β ladder)trans-135.6142.6178.2-176-168.110.200110.4K234 D236 A249 F250 T251 E349 T350 F351K234-Q442 HydrophobicContact CB-CB 4.25Å; K234-Q442 HydrophobicContact CG-CB 3.46Å; K234-Q442 VanDerWaalsContact CG-CB 3.46Å; D236-Q442 PolarHBondContact OD2-NE2 3.47Å; A249-Q442 HydrophobicContact CB-CG 4.23Å; F250-Q442 CarbonylContact C-O 3.59Å; T251-Q442 PolarHBondContact N-O 3.34Å; T251-Q442 VanDerWaalsContact N-O 3.16Å; T251-Q442 PolarHBondContact OG1-N 3.02Å; T251-Q442 PolarHBondContact OG1-O 3.06Å; E349-Q442 PolarHBondContact OE2-NE2 3.46Å; T350-Q442 WeakPolarHBondContact O-CA 3.23Å; F351-Q442 HydrophobicContact CD1-CB 3.75Å; F351-Q442 HydrophobicContact CD1-CG 3.83Å; F351-Q442 HydrophobicContact CE1-CB 3.71Å; F351-Q442 HydrophobicContact CE1-CG 3.39Å; F351-Q442 HydrophobicContact CE2-CG 4.44Å; F351-Q442 HydrophobicContact CZ-CG 3.74Å
443W98.9Very high98Very high20 Ų2023.8 Ų23.88%0.07612%0.122CC..EExtended strand (participates in β ladder)trans-136.1150.1160.4-69.594000108.6F250 V262 K266 T269 E349 T350 Y463F250-W443 HydrophobicContact CB-CE3 3.67Å; F250-W443 HydrophobicContact CB-CH2 4.01Å; F250-W443 HydrophobicContact CB-CZ3 3.31Å; V262-W443 HydrophobicContact CG1-CZ2 3.59Å; V262-W443 PolarHBondContact O-NE1 2.85Å; K266-W443 HydrophobicContact CB-CD2 4.23Å; K266-W443 HydrophobicContact CB-CG 4.07Å; K266-W443 HydrophobicContact CD-CH2 4.43Å; K266-W443 HydrophobicContact CD-CZ2 4.06Å; K266-W443 HydrophobicContact CG-CD2 4.13Å; K266-W443 HydrophobicContact CG-CG 4.29Å; K266-W443 HydrophobicContact CG-CZ2 4.46Å; T269-W443 HydrophobicContact CG2-CB 4.17Å; T269-W443 WeakPolarHBondContact OG1-CB 3.44Å; T269-W443 PolarHBondContact OG1-O 3.25Å; E349-W443 WeakPolarHBondContact CA-O 3.49Å; T350-W443 PolarHBondContact N-O 2.85Å; T350-W443 VanDerWaalsContact N-O 3.14Å; T350-W443 PolarHBondContact O-N 3.03Å; W443-Y463 HydrophobicContact CE3-CD1 4.25Å; W443-Y463 AromaticContact CE3-CD2 3.34Å; W443-Y463 HydrophobicContact CE3-CD2 3.34Å; W443-Y463 AromaticContact CE3-CE2 3.81Å; W443-Y463 HydrophobicContact CE3-CE2 3.81Å; W443-Y463 AromaticContact CE3-CG 3.59Å; W443-Y463 HydrophobicContact CE3-CG 3.59Å; W443-Y463 HydrophobicContact CH2-CG 4.3Å; W443-Y463 AromaticContact CZ3-CD1 3.55Å; W443-Y463 HydrophobicContact CZ3-CD1 3.55Å; W443-Y463 AromaticContact CZ3-CD2 3.52Å; W443-Y463 HydrophobicContact CZ3-CD2 3.52Å; W443-Y463 HydrophobicContact CZ3-CE1 4.09Å; W443-Y463 HydrophobicContact CZ3-CE2 4.07Å; W443-Y463 AromaticContact CZ3-CG 3.22Å; W443-Y463 HydrophobicContact CZ3-CG 3.22Å
444E98.9Very high97.9Very high0 Ų023.1 Ų23.10%012%0.117CC..EExtended strand (participates in β ladder)trans-155.4144.3-176.2178169.9-144.100113C248 A249 A347 I348 E349C248-E444 PolarHBondContact SG-O 3.47Å; A249-E444 HydrophobicContact CB-CB 3.87Å; A249-E444 PolarHBondContact N-O 2.97Å; A249-E444 PolarHBondContact O-N 3.5Å; A249-E444 VanDerWaalsContact O-N 3.15Å; A347-E444 WeakPolarHBondContact CB-OE1 3.39Å; I348-E444 VanDerWaalsContact O-CA 3.31Å; I348-E444 WeakPolarHBondContact O-CA 3.46Å; E349-E444 HydrophobicContact CB-CB 3.72Å; E349-E444 HydrophobicContact CB-CG 3.68Å; E349-E444 HydrophobicContact CG-CG 4.47Å; E349-E444 WeakPolarHBondContact CG-OE1 3.43Å
445H99Very high97.9Very high2 Ų222.8 Ų22.81%0.00912%0.115CC..EExtended strand (participates in β ladder)trans-136.9142.3165.9-76.6-67.5000112.6D247 I273 I348 V456 S458 R459 Y463D247-H445 CarbonylContact O-C 3.59Å; I273-H445 HydrophobicContact CD1-CB 3.83Å; I348-H445 PolarHBondContact N-O 3.3Å; I348-H445 PolarHBondContact O-N 3.03Å; I348-H445 VanDerWaalsContact O-N 3.1Å; H445-V456 HydrophobicContact CB-CG1 3.77Å; H445-S458 WeakPolarHBondContact CA-OG 3.33Å; H445-S458 VanDerWaalsContact CB-OG 3.31Å; H445-S458 WeakPolarHBondContact CB-OG 3.4Å; H445-S458 PolarHBondContact ND1-O 3.37Å; H445-S458 PolarHBondContact ND1-OG 2.66Å; H445-R459 PolarHBondContact CD2-NH1 3.47Å; H445-R459 VanDerWaalsContact CD2-NH1 3.28Å; H445-R459 PolarHBondContact NE2-NH1 2.95Å; H445-Y463 AromaticContact CE1-CD2 3.37Å; H445-Y463 WeakPolarHBondContact CE1-CD2 3.28Å; H445-Y463 AromaticContact CE1-CE2 3.48Å; H445-Y463 VanDerWaalsContact CE1-CE2 3.48Å; H445-Y463 WeakPolarHBondContact CE1-CE2 3.36Å; H445-Y463 PolarHBondContact CE1-O 3.04Å; H445-Y463 VanDerWaalsContact CE1-O 3.25Å; H445-Y463 AromaticContact NE2-CD2 3.17Å; H445-Y463 WeakPolarHBondContact NE2-CD2 3.34Å; H445-Y463 AromaticContact NE2-CE2 3.67Å; H445-Y463 PolarHBondContact NE2-O 3.31Å; H445-Y463 PolarHBondContact NE2-OXT 2.95Å
446T98.9Very high98Very high0 Ų018.6 Ų18.60%010%0.096CC..EExtended strand (participates in β ladder)trans-72.6129.2158.9-60.60000110.8F154 I246 D247 L318 Y346 L448 V457 S458F154-T446 HydrophobicContact CD1-CG2 4.47Å; F154-T446 HydrophobicContact CE1-CG2 4.43Å; I246-T446 HydrophobicContact CD1-CG2 4.09Å; D247-T446 PolarHBondContact N-OG1 3.11Å; D247-T446 PolarHBondContact O-N 3.03Å; D247-T446 PolarHBondContact O-OG1 2.81Å; L318-T446 HydrophobicContact CD1-CG2 3.65Å; Y346-T446 CarbonylContact O-C 3.54Å; Y346-T446 VanDerWaalsContact O-CA 3.3Å; Y346-T446 WeakPolarHBondContact O-CA 3.4Å; T446-L448 HydrophobicContact CG2-CD2 4.29Å; T446-V457 HydrophobicContact CG2-CG1 3.77Å; T446-V457 WeakPolarHBondContact O-CG1 3.37Å; T446-V457 PolarHBondContact O-N 3.3Å; T446-S458 PolarHBondContact N-OG 3.09Å; T446-S458 PolarHBondContact O-OG 3.31Å
447I98.9Very high98.1Very high0 Ų09.2 Ų9.20%06%0.06CC..EExtended strand (participates in β ladder)trans-118147.2171.469.1170.4000111.4I273 A276 Y345 Y346 I348 L449 K454 E455 V456I273-I447 HydrophobicContact CG1-CG2 4.33Å; I273-I447 HydrophobicContact CG2-CG2 4.27Å; A276-I447 HydrophobicContact CB-CD1 3.63Å; Y345-I447 WeakPolarHBondContact CA-O 3.37Å; Y346-I447 PolarHBondContact N-O 2.88Å; Y346-I447 PolarHBondContact O-N 3.37Å; I348-I447 HydrophobicContact CD1-CD1 4.06Å; I348-I447 HydrophobicContact CG1-CD1 3.69Å; I348-I447 HydrophobicContact CG1-CG1 3.94Å; I348-I447 HydrophobicContact CG1-CG2 4.28Å; I447-L449 HydrophobicContact CD1-CD2 3.96Å; I447-K454 HydrophobicContact CD1-CD 4.21Å; I447-E455 CarbonylContact C-O 3.58Å; I447-E455 VanDerWaalsContact CA-O 3.3Å; I447-E455 WeakPolarHBondContact CA-O 3.32Å; I447-V456 HydrophobicContact CG2-CB 4.36Å; I447-V456 HydrophobicContact CG2-CG1 4.15Å; I447-V456 HydrophobicContact CG2-CG2 4.14Å
448L98.7Very high98.3Very high0 Ų05.9 Ų5.90%03%0.026CC..EExtended strand (participates in β ladder)trans-111.3121.7174.9-43.6179000109.6Y151 F154 Y345 T446 R450 K454 E455 V457Y151-L448 HydrophobicContact CD1-CD1 4.01Å; F154-L448 HydrophobicContact CB-CD1 4.13Å; F154-L448 HydrophobicContact CB-CD2 4.33Å; F154-L448 HydrophobicContact CD1-CD2 3.92Å; F154-L448 HydrophobicContact CD2-CD1 4.24Å; F154-L448 HydrophobicContact CD2-CD2 3.77Å; F154-L448 HydrophobicContact CE1-CD2 4.07Å; F154-L448 HydrophobicContact CE2-CD2 3.95Å; F154-L448 HydrophobicContact CG-CD1 4.31Å; F154-L448 HydrophobicContact CG-CD2 3.77Å; F154-L448 HydrophobicContact CZ-CD2 4.1Å; Y345-L448 HydrophobicContact CD1-CB 4.03Å; Y345-L448 HydrophobicContact CD1-CD2 3.43Å; Y345-L448 VanDerWaalsContact CD1-CD2 3.43Å; Y345-L448 HydrophobicContact CD1-CG 4.3Å; Y345-L448 HydrophobicContact CE1-CB 4.35Å; Y345-L448 HydrophobicContact CE1-CD2 4.07Å; Y345-L448 HydrophobicContact CG-CD2 4.06Å; T446-L448 HydrophobicContact CG2-CD2 4.29Å; L448-R450 VanDerWaalsContact C-N 3.31Å; L448-R450 HydrophobicContact CB-CG 4Å; L448-R450 PolarHBondContact O-N 3.39Å; L448-R450 VanDerWaalsContact O-N 3.11Å; L448-K454 WeakPolarHBondContact O-CA 3.43Å; L448-E455 HydrophobicContact CB-CB 4.3Å; L448-E455 PolarHBondContact N-O 3Å; L448-E455 PolarHBondContact O-N 3.03Å; L448-V457 HydrophobicContact CD1-CB 3.97Å; L448-V457 HydrophobicContact CD1-CG1 4.27Å; L448-V457 HydrophobicContact CD1-CG2 4.18Å; L448-V457 HydrophobicContact CD2-CG1 3.99Å; L448-V457 HydrophobicContact CG-CB 4.01Å; L448-V457 HydrophobicContact CG-CG1 3.93Å
449L98Very high98.3Very high0 Ų07.5 Ų7.50%03%0.031CC..EExtended strand (participates in β ladder)trans-87.272.6176.6-58.1-174000110.8Y122 I278 M340 N343 E344 Y346 I447 K454Y122-L449 HydrophobicContact CE1-CD2 4.2Å; Y122-L449 VanDerWaalsContact OH-C 3.29Å; Y122-L449 WeakPolarHBondContact OH-CA 3.43Å; Y122-L449 WeakPolarHBondContact OH-CB 3.42Å; I278-L449 HydrophobicContact CG1-CB 4.12Å; M340-L449 HydrophobicContact CB-CD1 3.7Å; M340-L449 HydrophobicContact CG-CD1 4.39Å; M340-L449 HydrophobicContact SD-CD1 4.15Å; N343-L449 WeakPolarHBondContact CA-O 3.46Å; N343-L449 PolarHBondContact N-O 3.31Å; E344-L449 WeakPolarHBondContact O-CB 3.45Å; E344-L449 PolarHBondContact O-N 3.47Å; Y346-L449 HydrophobicContact CD2-CD1 3.87Å; Y346-L449 HydrophobicContact CD2-CG 4.3Å; Y346-L449 HydrophobicContact CE2-CD1 3.74Å; I447-L449 HydrophobicContact CD1-CD2 3.96Å; L449-K454 HydrophobicContact CD2-CD 4.35Å; L449-K454 HydrophobicContact CD2-CG 4.23Å
450R97.8Very high98.3Very high30 Ų306.6 Ų6.611%0.1133%0.034CC..  trans-72.8157-175.2-56.1168.648.9-157.5-10.5110.6Y122 D144 Y151 L448 T452 C453 E455Y122-R450 WeakPolarHBondContact CE2-O 3.47Å; Y122-R450 PolarHBondContact OH-N 2.92Å; Y122-R450 PolarHBondContact OH-O 3.34Å; D144-R450 IonicContact OD1-CZ 3.58Å; D144-R450 VanDerWaalsContact OD1-CZ 3.32Å; D144-R450 IonicContact OD1-NE 2.78Å; D144-R450 PolarHBondContact OD1-NE 3.09Å; D144-R450 IonicContact OD1-NH2 3.28Å; D144-R450 PolarHBondContact OD1-NH2 3.48Å; D144-R450 WeakPolarHBondContact OD2-CB 3.33Å; D144-R450 IonicContact OD2-CZ 3.64Å; D144-R450 IonicContact OD2-NE 2.77Å; D144-R450 IonicContact OD2-NH2 2.81Å; D144-R450 PolarHBondContact OD2-NH2 3.37Å; Y151-R450 HydrophobicContact CD1-CG 4.35Å; Y151-R450 HydrophobicContact CE1-CG 3.79Å; Y151-R450 HydrophobicContact CE2-CG 4.11Å; L448-R450 VanDerWaalsContact C-N 3.31Å; L448-R450 HydrophobicContact CB-CG 4Å; L448-R450 PolarHBondContact O-N 3.39Å; L448-R450 VanDerWaalsContact O-N 3.11Å; R450-T452 PolarHBondContact O-N 3.13Å; R450-C453 CarbonylContact C-O 3.52Å; R450-C453 WeakPolarHBondContact CA-O 3.42Å; R450-C453 VanDerWaalsContact CB-O 3.22Å; R450-C453 WeakPolarHBondContact CB-O 3.37Å; R450-C453 PolarHBondContact N-O 3.43Å; R450-C453 PolarHBondContact O-N 3.36Å; R450-E455 VanDerWaalsContact CD-OE2 3.29Å; R450-E455 WeakPolarHBondContact CD-OE2 3.4Å; R450-E455 IonicContact CZ-OE2 2.84Å; R450-E455 IonicContact NE-OE2 3.43Å; R450-E455 IonicContact NH1-OE2 2.96Å; R450-E455 PolarHBondContact NH1-OE2 3.16Å
451P96.3Very high98.2Very high0 Ų016.7 Ų16.70%08%0.082CC..SBendtrans-58.1-33.9179.3-26.835.9000113.8R134 C140 R143 D144 Y151 E342 N343R134-P451 WeakPolarHBondContact CD-O 3.34Å; R134-P451 PolarHBondContact NH1-O 3.23Å; C140-P451 HydrophobicContact CB-CB 4.39Å; C140-P451 WeakPolarHBondContact O-CB 3.35Å; R143-P451 HydrophobicContact CB-CB 4.09Å; R143-P451 HydrophobicContact CB-CG 3.89Å; D144-P451 HydrophobicContact CB-CB 4.26Å; D144-P451 HydrophobicContact CB-CG 4.23Å; Y151-P451 WeakPolarHBondContact OH-CD 3.07Å; E342-P451 HydrophobicContact CG-CB 4.3Å; E342-P451 HydrophobicContact CG-CG 4.05Å; E342-P451 WeakPolarHBondContact OE1-CG 3.39Å; N343-P451 WeakPolarHBondContact OD1-CD 3.38Å; N343-P451 WeakPolarHBondContact OD1-CG 2.96Å
452T95.6Very high98.1Very high16 Ų1619.2 Ų19.210%0.09810%0.095CC..SBendtrans-91.7-27.6-178.961.60000114.2C140 K141 D144 R450C140-T452 HydrophobicContact CB-CG2 4.13Å; K141-T452 HydrophobicContact CG-CG2 4.08Å; D144-T452 HydrophobicContact CB-CG2 3.86Å; D144-T452 WeakPolarHBondContact OD2-CB 3.12Å; D144-T452 WeakPolarHBondContact OD2-CG2 3.44Å; D144-T452 PolarHBondContact OD2-N 3.46Å; D144-T452 VanDerWaalsContact OD2-N 3.07Å; D144-T452 PolarHBondContact OD2-OG1 3.47Å; R450-T452 PolarHBondContact O-N 3.13Å
453C96.2Very high98Very high5 Ų519.8 Ų19.83%0.03410%0.097CC..  trans-162.8167.3-169.157.40000112.5I119 Y122 R450I119-C453 HydrophobicContact CG2-CB 3.74Å; Y122-C453 PolarHBondContact OH-O 2.79Å; R450-C453 CarbonylContact C-O 3.52Å; R450-C453 WeakPolarHBondContact CA-O 3.42Å; R450-C453 VanDerWaalsContact CB-O 3.22Å; R450-C453 WeakPolarHBondContact CB-O 3.37Å; R450-C453 PolarHBondContact N-O 3.43Å; R450-C453 PolarHBondContact O-N 3.36Å
454K97.6Very high98Very high5 Ų519.8 Ų19.82%0.02210%0.098CC..EExtended strand (participates in β ladder)trans-92.3125.4165.1176171.656.8-170.50108.5I120 Y122 I273 K274 A276 I447 L448 L449I120-K454 HydrophobicContact CB-CB 4.36Å; I120-K454 PolarHBondContact N-O 3.13Å; I120-K454 PolarHBondContact O-N 3.01Å; Y122-K454 HydrophobicContact CD1-CB 4.39Å; Y122-K454 HydrophobicContact CE1-CB 3.73Å; I273-K454 WeakPolarHBondContact O-CE 3.42Å; I273-K454 PolarHBondContact O-NZ 2.89Å; K274-K454 PolarHBondContact O-NZ 2.71Å; A276-K454 WeakPolarHBondContact O-CD 3.3Å; A276-K454 PolarHBondContact O-NZ 2.96Å; I447-K454 HydrophobicContact CD1-CD 4.21Å; L448-K454 WeakPolarHBondContact O-CA 3.43Å; L449-K454 HydrophobicContact CD2-CD 4.35Å; L449-K454 HydrophobicContact CD2-CG 4.23Å
455E98.7Very high98Very high0 Ų020.8 Ų20.80%010%0.103CC..EExtended strand (participates in β ladder)trans-109.5115.9175.7-179.1173.2167.700110.1V116 G117 E118 I119 R155 I447 L448 R450 V457V116-E455 HydrophobicContact CG1-CG 4.46Å; V116-E455 WeakPolarHBondContact CG1-OE1 3.45Å; G117-E455 PolarHBondContact N-OE1 2.84Å; E118-E455 CarbonylContact O-C 3.55Å; E118-E455 WeakPolarHBondContact O-CA 3.4Å; I119-E455 HydrophobicContact CD1-CB 3.77Å; I119-E455 HydrophobicContact CD1-CG 3.77Å; R155-E455 IonicContact CZ-OE1 3.73Å; R155-E455 IonicContact CZ-OE2 3.99Å; R155-E455 IonicContact NE-OE1 2.72Å; R155-E455 PolarHBondContact NE-OE1 3.35Å; R155-E455 IonicContact NE-OE2 3.39Å; R155-E455 IonicContact NH2-OE1 3.64Å; R155-E455 PolarHBondContact NH2-OE1 2.87Å; R155-E455 IonicContact NH2-OE2 3.4Å; R155-E455 PolarHBondContact NH2-OE2 3Å; I447-E455 CarbonylContact C-O 3.58Å; I447-E455 VanDerWaalsContact CA-O 3.3Å; I447-E455 WeakPolarHBondContact CA-O 3.32Å; L448-E455 HydrophobicContact CB-CB 4.3Å; L448-E455 PolarHBondContact N-O 3Å; L448-E455 PolarHBondContact O-N 3.03Å; R450-E455 VanDerWaalsContact CD-OE2 3.29Å; R450-E455 WeakPolarHBondContact CD-OE2 3.4Å; R450-E455 IonicContact CZ-OE2 2.84Å; R450-E455 IonicContact NE-OE2 3.43Å; R450-E455 IonicContact NH1-OE2 2.96Å; R450-E455 PolarHBondContact NH1-OE2 3.16Å; E455-V457 HydrophobicContact CG-CB 4.19Å; E455-V457 PolarHBondContact O-N 3.41Å
456V98.8Very high97.9Very high0 Ų021.8 Ų21.80%011%0.108CC..EExtended strand (participates in β ladder)trans-80.177.7169-167.10000107.4E118 I120 I273 H445 I447 S458 R459E118-V456 HydrophobicContact CB-CB 4.17Å; E118-V456 PolarHBondContact N-O 2.85Å; E118-V456 PolarHBondContact O-N 3.37Å; I120-V456 HydrophobicContact CD1-CG2 3.73Å; I120-V456 HydrophobicContact CG1-CG2 4.46Å; I273-V456 HydrophobicContact CD1-CG1 4.36Å; I273-V456 HydrophobicContact CG2-CG2 3.54Å; H445-V456 HydrophobicContact CB-CG1 3.77Å; I447-V456 HydrophobicContact CG2-CB 4.36Å; I447-V456 HydrophobicContact CG2-CG1 4.15Å; I447-V456 HydrophobicContact CG2-CG2 4.14Å; V456-S458 PolarHBondContact O-N 3.09Å; V456-S458 VanDerWaalsContact O-N 3.16Å; V456-R459 HydrophobicContact CB-CB 4.11Å; V456-R459 HydrophobicContact CG1-CB 3.9Å; V456-R459 VanDerWaalsContact O-CB 3.29Å; V456-R459 WeakPolarHBondContact O-CB 3.35Å; V456-R459 PolarHBondContact O-N 3.26Å
457V98.8Very high97.8Very high0 Ų023.1 Ų23.10%012%0.115CC..THydrogen-bonded Turntrans-61.5-29.7-166.665.20000113F154 R155 A158 R162 I246 T446 L448 E455F154-V457 HydrophobicContact CB-CG1 4.5Å; F154-V457 HydrophobicContact CB-CG2 4.05Å; R155-V457 HydrophobicContact CB-CG2 4.49Å; R155-V457 HydrophobicContact CG-CG2 3.78Å; A158-V457 HydrophobicContact CB-CG2 4Å; A158-V457 WeakPolarHBondContact CB-O 3.44Å; R162-V457 PolarHBondContact NH1-O 2.77Å; I246-V457 HydrophobicContact CD1-CG1 3.57Å; T446-V457 HydrophobicContact CG2-CG1 3.77Å; T446-V457 WeakPolarHBondContact O-CG1 3.37Å; T446-V457 PolarHBondContact O-N 3.3Å; L448-V457 HydrophobicContact CD1-CB 3.97Å; L448-V457 HydrophobicContact CD1-CG1 4.27Å; L448-V457 HydrophobicContact CD1-CG2 4.18Å; L448-V457 HydrophobicContact CD2-CG1 3.99Å; L448-V457 HydrophobicContact CG-CB 4.01Å; L448-V457 HydrophobicContact CG-CG1 3.93Å; E455-V457 HydrophobicContact CG-CB 4.19Å; E455-V457 PolarHBondContact O-N 3.41Å
458S98.9Very high97.8Very high0 Ų024.6 Ų24.60%012%0.122CC..THydrogen-bonded Turntrans-91.30.5-179.660.80000114.6R165 H445 T446 V456R165-S458 PolarHBondContact NH1-O 3.28Å; R165-S458 PolarHBondContact NH2-O 2.8Å; R165-S458 VanDerWaalsContact NH2-O 3.15Å; H445-S458 WeakPolarHBondContact CA-OG 3.33Å; H445-S458 VanDerWaalsContact CB-OG 3.31Å; H445-S458 WeakPolarHBondContact CB-OG 3.4Å; H445-S458 PolarHBondContact ND1-O 3.37Å; H445-S458 PolarHBondContact ND1-OG 2.66Å; T446-S458 PolarHBondContact N-OG 3.09Å; T446-S458 PolarHBondContact O-OG 3.31Å; V456-S458 PolarHBondContact O-N 3.09Å; V456-S458 VanDerWaalsContact O-N 3.16Å
459R98.8Very high97.7Very high38 Ų3826.2 Ų26.214%0.14313%0.13CC..  trans-59141.9175.3-171.470.677.8-169.44.8110.5E118 R162 N270 H445 V456 Y463E118-R459 HydrophobicContact CB-CB 3.95Å; E118-R459 HydrophobicContact CB-CG 3.95Å; E118-R459 IonicContact OE2-CZ 2.75Å; E118-R459 IonicContact OE2-NE 3.9Å; E118-R459 PolarHBondContact OE2-NE 3.2Å; E118-R459 IonicContact OE2-NH2 2.85Å; E118-R459 PolarHBondContact OE2-NH2 2.92Å; R162-R459 WeakPolarHBondContact CD-O 3.4Å; R162-R459 PolarHBondContact NH1-O 3.2Å; R162-R459 VanDerWaalsContact NH1-O 3.14Å; N270-R459 PolarHBondContact OD1-NH1 3.29Å; N270-R459 PolarHBondContact OD1-NH2 3.45Å; H445-R459 PolarHBondContact CD2-NH1 3.47Å; H445-R459 VanDerWaalsContact CD2-NH1 3.28Å; H445-R459 PolarHBondContact NE2-NH1 2.95Å; V456-R459 HydrophobicContact CB-CB 4.11Å; V456-R459 HydrophobicContact CG1-CB 3.9Å; V456-R459 VanDerWaalsContact O-CB 3.29Å; V456-R459 WeakPolarHBondContact O-CB 3.35Å; V456-R459 PolarHBondContact O-N 3.26Å; R459-Y463 VanDerWaalsContact CD-C 3.47Å; R459-Y463 WeakPolarHBondContact CD-O 3.4Å; R459-Y463 WeakPolarHBondContact CD-OXT 3.39Å; R459-Y463 PolarHBondContact NH1-OXT 2.85Å
460G98.1Very high97.7Very high21 Ų2128.1 Ų28.122%0.21614%0.139CC..  trans-136.3-176.1172.100000112.1R165 D462 Y463R165-G460 VanDerWaalsContact NH2-N 3.14Å; G460-D462 PolarHBondContact O-N 2.79Å; G460-Y463 PolarHBondContact N-O 2.63Å; G460-Y463 VanDerWaalsContact N-O 3.1Å
461E96.8Very high97.7Very high213 Ų21327.9 Ų27.9100%0.99514%0.141SC*.SBendtrans-67.8-17174.9-64.2-177.416900112.7
462D97.4Very high97.8Very high52 Ų5230.3 Ų30.328%0.27815%0.153SC..  trans-89.2-42.5-175.558-28.1000113.7R165 K169 K266 G460R165-D462 IonicContact CZ-OD1 2.74Å; R165-D462 IonicContact CZ-OD2 2.75Å; R165-D462 IonicContact NE-OD1 3.59Å; R165-D462 PolarHBondContact NE-OD1 3.38Å; R165-D462 IonicContact NE-OD2 3.75Å; R165-D462 PolarHBondContact NE-OD2 3.11Å; R165-D462 IonicContact NH2-OD1 3.47Å; R165-D462 PolarHBondContact NH2-OD1 3.46Å; R165-D462 IonicContact NH2-OD2 3.18Å; K169-D462 IonicContact NZ-OD2 3.4Å; K169-D462 PolarHBondContact NZ-OD2 2.98Å; K266-D462 PolarHBondContact NZ-O 3.43Å; G460-D462 PolarHBondContact O-N 2.79Å
463Y98.2Very high98Very high13 Ų1331.5 Ų31.55%0.05116%0.158CC..  trans-157.90173.965.5-77.6000112.6R165 C248 A249 F250 W443 H445 R459 G460R165-Y463 VanDerWaalsContact NE-CE1 3.33Å; C248-Y463 PolarHBondContact SG-OH 2.87Å; A249-Y463 WeakPolarHBondContact O-CE2 3.49Å; A249-Y463 PolarHBondContact O-OH 2.82Å; F250-Y463 HydrophobicContact CB-CD1 4.4Å; F250-Y463 HydrophobicContact CB-CE1 3.83Å; F250-Y463 HydrophobicContact CB-CE2 4.35Å; F250-Y463 HydrophobicContact CD1-CE1 4.15Å; F250-Y463 HydrophobicContact CG-CE1 4.25Å; W443-Y463 HydrophobicContact CE3-CD1 4.25Å; W443-Y463 AromaticContact CE3-CD2 3.34Å; W443-Y463 HydrophobicContact CE3-CD2 3.34Å; W443-Y463 AromaticContact CE3-CE2 3.81Å; W443-Y463 HydrophobicContact CE3-CE2 3.81Å; W443-Y463 AromaticContact CE3-CG 3.59Å; W443-Y463 HydrophobicContact CE3-CG 3.59Å; W443-Y463 HydrophobicContact CH2-CG 4.3Å; W443-Y463 AromaticContact CZ3-CD1 3.55Å; W443-Y463 HydrophobicContact CZ3-CD1 3.55Å; W443-Y463 AromaticContact CZ3-CD2 3.52Å; W443-Y463 HydrophobicContact CZ3-CD2 3.52Å; W443-Y463 HydrophobicContact CZ3-CE1 4.09Å; W443-Y463 HydrophobicContact CZ3-CE2 4.07Å; W443-Y463 AromaticContact CZ3-CG 3.22Å; W443-Y463 HydrophobicContact CZ3-CG 3.22Å; H445-Y463 AromaticContact CE1-CD2 3.37Å; H445-Y463 WeakPolarHBondContact CE1-CD2 3.28Å; H445-Y463 AromaticContact CE1-CE2 3.48Å; H445-Y463 VanDerWaalsContact CE1-CE2 3.48Å; H445-Y463 WeakPolarHBondContact CE1-CE2 3.36Å; H445-Y463 PolarHBondContact CE1-O 3.04Å; H445-Y463 VanDerWaalsContact CE1-O 3.25Å; H445-Y463 AromaticContact NE2-CD2 3.17Å; H445-Y463 WeakPolarHBondContact NE2-CD2 3.34Å; H445-Y463 AromaticContact NE2-CE2 3.67Å; H445-Y463 PolarHBondContact NE2-O 3.31Å; H445-Y463 PolarHBondContact NE2-OXT 2.95Å; R459-Y463 VanDerWaalsContact CD-C 3.47Å; R459-Y463 WeakPolarHBondContact CD-O 3.4Å; R459-Y463 WeakPolarHBondContact CD-OXT 3.39Å; R459-Y463 PolarHBondContact NH1-OXT 2.85Å; G460-Y463 PolarHBondContact N-O 2.63Å; G460-Y463 VanDerWaalsContact N-O 3.1Å

Retrieved 463 of 463 residues in 151.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).