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Exosome complex component MTR3

Non-catalytic component of the RNA exosome complex which has 3'->5' exoribonuclease activity and participates in a multitude of cellular RNA processing and degradation events.

AlphaFold DB , UniProt , Accession A0A060X272, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene exosc6, Length 277 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M55.3Low79.7Confident227 Ų227136.5 Ų136.5100%1.11873%0.731SS**  0143.60-75.3-175.7171.500108.4T3M1-T3 PolarHBondContact O-N 3.06Å; M1-T3 VanDerWaalsContact O-N 3.12Å
2P59.5Low80.2Confident133 Ų133141.3 Ų141.386%0.86475%0.746SS**  trans-60.4118.4178.525.2-32.2000109D4P2-D4 PolarHBondContact O-N 3.14Å
3T74.1Confident80.7Confident114 Ų114138.8 Ų138.870%0.69974%0.739SS**  trans-70.7125.5177.540.80000108.7M1 T5M1-T3 PolarHBondContact O-N 3.06Å; M1-T3 VanDerWaalsContact O-N 3.12Å; T3-T5 PolarHBondContact O-N 3.1Å; T3-T5 VanDerWaalsContact O-N 3.1Å
4D79.9Confident81Confident57 Ų57135.5 Ų135.531%0.30573%0.733SS.*  trans-65.3112.9177.1-174-1000109.5P2 K6 R7 W113P2-D4 PolarHBondContact O-N 3.14Å; D4-K6 WeakPolarHBondContact OD1-CB 3.37Å; D4-K6 PolarHBondContact OD1-N 3.34Å; D4-R7 WeakPolarHBondContact OD2-CD 3.2Å; D4-R7 VanDerWaalsContact OD2-CG 3.26Å; D4-R7 WeakPolarHBondContact OD2-CG 3.48Å; D4-R7 IonicContact OD2-NE 3.39Å; D4-R7 PolarHBondContact OD2-NE 3.21Å; D4-W113 WeakPolarHBondContact OD2-CH2 3.28Å; D4-W113 WeakPolarHBondContact OD2-CZ3 3.48Å
5T86.2Confident81.4Confident119 Ų119135.2 Ų135.273%0.7373%0.725SS**THydrogen-bonded Turntrans-87.2-9.6-179.558.10000113.1T3 R7T3-T5 PolarHBondContact O-N 3.1Å; T3-T5 VanDerWaalsContact O-N 3.1Å; T5-R7 VanDerWaalsContact C-N 3.29Å
6K87.7Confident81.7Confident190 Ų190128 Ų12883%0.82669%0.688SS**THydrogen-bonded Turntrans-87.10.7-178.7-63.7-179179.2179.30112.8D4D4-K6 WeakPolarHBondContact OD1-CB 3.37Å; D4-K6 PolarHBondContact OD1-N 3.34Å
7R84.3Confident82Confident125 Ų125126.5 Ų126.547%0.47269%0.687SS.*SBendtrans-136.5165.2-169.7-63.6-170.9-179.8-138.4-20.1113.5D4 T5 R9 W113D4-R7 WeakPolarHBondContact OD2-CD 3.2Å; D4-R7 VanDerWaalsContact OD2-CG 3.26Å; D4-R7 WeakPolarHBondContact OD2-CG 3.48Å; D4-R7 IonicContact OD2-NE 3.39Å; D4-R7 PolarHBondContact OD2-NE 3.21Å; T5-R7 VanDerWaalsContact C-N 3.29Å; R7-R9 PolarHBondContact O-N 3.26Å; R7-W113 VanDerWaalsContact CZ-CD1 3.42Å; R7-W113 VanDerWaalsContact NH2-CD2 3.34Å; R7-W113 VanDerWaalsContact NH2-CE2 3.31Å
8V88.9Confident81.8Confident142 Ų142122.4 Ų122.486%0.86167%0.669SS**  trans-59.9130.6170.8-1770000109G10V8-G10 PolarHBondContact O-N 3.46Å; V8-G10 VanDerWaalsContact O-N 3.11Å
9R86.3Confident81.8Confident228 Ų228121.6 Ų121.686%0.8666%0.664SS**  trans-72.9102.6178.4-64.3-176.7-177.7-178.80.7109.5R7R7-R9 PolarHBondContact O-N 3.26Å
10G85.5Confident81.9Confident59 Ų59122.8 Ų122.861%0.60866%0.662SS**  trans-88.8-177.6170.900000112.6V8V8-G10 PolarHBondContact O-N 3.46Å; V8-G10 VanDerWaalsContact O-N 3.11Å
11P89.2Confident81.9Confident108 Ų108122.9 Ų122.970%0.70166%0.662SS**  trans-61.6151.5168.129.1-35.1000110.7V13P11-V13 VanDerWaalsContact C-N 3.29Å; P11-V13 PolarHBondContact O-N 3.03Å
12E85.6Confident82.1Confident194 Ų194116.9 Ų116.991%0.90764%0.641SS**SBendtrans-65.7-33.8-179.8-62.3-167.8160.300112.5
13V86.1Confident82.3Confident108 Ų108120 Ų12066%0.65564%0.641SS**  trans-134.7136-179.9-175.90000109P11 Q15P11-V13 VanDerWaalsContact C-N 3.29Å; P11-V13 PolarHBondContact O-N 3.03Å; V13-Q15 HydrophobicContact CG1-CG 4.32Å
14S86.1Confident80.9Confident93 Ų93121 Ų12165%0.6564%0.642SS**  trans-129.9125.8169.161.20000108.8
15Q86.8Confident79.3Confident131 Ų131122.7 Ų122.761%0.61266%0.664SS**  trans-106.1143.8175.6-69.7-177.3-6.300110.4V13 L19 F20V13-Q15 HydrophobicContact CG1-CG 4.32Å; Q15-L19 HydrophobicContact CB-CD1 4.42Å; Q15-F20 HydrophobicContact CB-CE2 4.21Å; Q15-F20 VanDerWaalsContact OE1-CZ 3.28Å
16S85.5Confident77.5Confident20 Ų20123.6 Ų123.614%0.1467%0.669CS.*  trans-72.1138.3177.960.50000109.9S18 L19 E109S16-S18 VanDerWaalsContact CB-OG 3.3Å; S16-S18 WeakPolarHBondContact CB-OG 3.39Å; S16-S18 PolarHBondContact O-N 2.97Å; S16-S18 PolarHBondContact OG-OG 3.09Å; S16-L19 PolarHBondContact O-N 3.14Å; S16-L19 WeakPolarHBondContact OG-CG 3.48Å; S16-E109 PolarHBondContact OG-OE1 2.82Å
17P86.3Confident75.2Confident103 Ų103123.9 Ų123.967%0.66967%0.67SS**G310 helixtrans-64.9-18.4177.215.1-19000113L19 F20 L21P17-L19 PolarHBondContact O-N 3.06Å; P17-F20 PolarHBondContact O-N 3.43Å; P17-F20 VanDerWaalsContact O-N 3.09Å; P17-L21 PolarHBondContact O-N 3.35Å
18S79.9Confident73.1Confident53 Ų53127.3 Ų127.337%0.37169%0.688SS.*G310 helixtrans-58.9-25.4174.141.70000114.2S16 F20S16-S18 VanDerWaalsContact CB-OG 3.3Å; S16-S18 WeakPolarHBondContact CB-OG 3.39Å; S16-S18 PolarHBondContact O-N 2.97Å; S16-S18 PolarHBondContact OG-OG 3.09Å; S18-F20 VanDerWaalsContact C-N 3.33Å
19L81.8Confident70.7Confident107 Ų107125.3 Ų125.356%0.5668%0.681SS**G310 helixtrans-71.7-29.8176.3-62.9173.4000112.5Q15 S16 P17Q15-L19 HydrophobicContact CB-CD1 4.42Å; S16-L19 PolarHBondContact O-N 3.14Å; S16-L19 WeakPolarHBondContact OG-CG 3.48Å; P17-L19 PolarHBondContact O-N 3.06Å
20F83.7Confident68.4Low144 Ų144121.1 Ų121.163%0.63268%0.681SS**THydrogen-bonded Turntrans-94.3-7-176.9-56.9-75.1000113.2Q15 P17 S18 C22Q15-F20 HydrophobicContact CB-CE2 4.21Å; Q15-F20 VanDerWaalsContact OE1-CZ 3.28Å; P17-F20 PolarHBondContact O-N 3.43Å; P17-F20 VanDerWaalsContact O-N 3.09Å; S18-F20 VanDerWaalsContact C-N 3.33Å; F20-C22 PolarHBondContact O-N 2.95Å; F20-C22 VanDerWaalsContact O-N 3.1Å
21L80.9Confident66.3Low126 Ų126120.8 Ų120.866%0.6667%0.673SS**SBendtrans-66.6109.6169.2-89.4150000108.2P17 K23P17-L21 PolarHBondContact O-N 3.35Å; L21-K23 PolarHBondContact O-N 2.91Å; L21-K23 VanDerWaalsContact O-N 3.11Å
22C59.7Low64Low100 Ų100120 Ų12068%0.67667%0.669SS**  trans-50.4124.2161.5-76.70000106.7F20 N24F20-C22 PolarHBondContact O-N 2.95Å; F20-C22 VanDerWaalsContact O-N 3.1Å; C22-N24 PolarHBondContact O-N 3.06Å
23K63.7Low62.5Low198 Ų198118.6 Ų118.686%0.86167%0.668SS**  trans-66.767.9169.9-63.4-179.4-177.8-179.90107.7L21 A25L21-K23 PolarHBondContact O-N 2.91Å; L21-K23 VanDerWaalsContact O-N 3.11Å; K23-A25 PolarHBondContact O-N 2.97Å
24N45.3Very low61.1Low137 Ų137117.8 Ų117.873%0.73366%0.66SS**  trans-54.9113.6165.6-76-11.4000103.9C22 V26C22-N24 PolarHBondContact O-N 3.06Å; N24-V26 PolarHBondContact O-N 3.01Å
25A46.6Very low60Low92 Ų92114.8 Ų114.876%0.7664%0.641SS**  trans-36.7108.9-176.700000108.1K23 K27K23-A25 PolarHBondContact O-N 2.97Å; A25-K27 PolarHBondContact O-N 3.43Å
26V47.3Very low59.1Low138 Ų138109 Ų10984%0.83661%0.613SS**  trans-48.2114179.1172.80000104.8N24 K28N24-V26 PolarHBondContact O-N 3.01Å; V26-K28 PolarHBondContact O-N 2.92Å
27K39.5Very low58.1Low195 Ų195113.5 Ų113.585%0.84864%0.64SS**  trans-51.1117.7179.6-79.2-179.5176.31780105.4A25 S29A25-K27 PolarHBondContact O-N 3.43Å; K27-S29 VanDerWaalsContact C-N 3.3Å; K27-S29 PolarHBondContact O-N 2.64Å
28K41Very low56.8Low197 Ų197112.4 Ų112.486%0.85763%0.629SS**  trans-46.5101168.5-86.7178.7170.11790106.6V26 T30V26-K28 PolarHBondContact O-N 2.92Å; K28-T30 VanDerWaalsContact C-N 3.32Å; K28-T30 PolarHBondContact O-N 2.99Å
29S37.7Very low56Low101 Ų101112.6 Ų112.671%0.70664%0.638SS**  trans-63.5110.7154.150.40000103.5K27 A31K27-S29 VanDerWaalsContact C-N 3.3Å; K27-S29 PolarHBondContact O-N 2.64Å; S29-A31 PolarHBondContact O-N 3.31Å
30T38.9Very low55.4Low139 Ų139108.5 Ų108.585%0.85362%0.616SS**  trans-6067.3170.146.50000109.3K28K28-T30 VanDerWaalsContact C-N 3.32Å; K28-T30 PolarHBondContact O-N 2.99Å
31A41.1Very low54.6Low53 Ų53107 Ų10744%0.43861%0.611SS.*  trans-85125.4162.700000105.6S29 N33S29-A31 PolarHBondContact O-N 3.31Å; A31-N33 PolarHBondContact O-N 2.82Å
32S41.5Very low53.7Low90 Ų90104.8 Ų104.863%0.62959%0.593SS**  trans-38137.9168.145.70000110.5D34 A35S32-D34 PolarHBondContact O-N 3.31Å; S32-A35 PolarHBondContact O-N 3.11Å
33N53.9Low53.6Low166 Ų166103.1 Ų103.189%0.88859%0.594SS**THydrogen-bonded Turntrans-48.1-1.6-171.2-77.9-24.2000117.5A31A31-N33 PolarHBondContact O-N 2.82Å
34D56.6Low53.7Low90 Ų9098.5 Ų98.548%0.48158%0.575SS.*THydrogen-bonded Turntrans-120.5-6.9-173-146.621.4000114.6S32 Q41 R42S32-D34 PolarHBondContact O-N 3.31Å; D34-Q41 WeakPolarHBondContact O-CA 3.4Å; D34-R42 PolarHBondContact O-N 3.4Å
35A61.8Low54.8Low30 Ų3093 Ų9325%0.24855%0.546CS..BIsolated β-bridgetrans-99.7130.1179.300000111.4S32S32-A35 PolarHBondContact O-N 3.11Å
36R69.3Low56.1Low9 Ų991.6 Ų91.63%0.03453%0.526CS..  trans-70167.2171.2-60.9-172.2-159.5-179.77110.6D38 G39 R40 R42 I194R36-D38 PolarHBondContact O-N 3.14Å; R36-D38 VanDerWaalsContact O-N 3.13Å; R36-G39 PolarHBondContact O-N 3.34Å; R36-R40 HydrophobicContact CB-CB 4.37Å; R36-R40 VanDerWaalsContact CB-O 3.3Å; R36-R40 WeakPolarHBondContact CB-O 3.47Å; R36-R40 HydrophobicContact CG-CB 4.45Å; R36-R40 VanDerWaalsContact CG-O 3.3Å; R36-R40 WeakPolarHBondContact CG-O 3.27Å; R36-R40 PolarHBondContact N-O 3.47Å; R36-R42 HydrophobicContact CG-CG 4.18Å; R36-I194 PolarHBondContact NH1-O 2.88Å
37V63.7Low57.7Low115 Ų11586 Ų8670%0.69749%0.492SS*.THydrogen-bonded Turntrans-55.8-31.9179-177.40000111.8G39V37-G39 VanDerWaalsContact C-N 3.34Å
38D60Low59.9Low81 Ų8177.4 Ų77.443%0.43345%0.454SS..THydrogen-bonded Turntrans-85-0.7178.1-55.6-25.6000114.1R36 R40 T197R36-D38 PolarHBondContact O-N 3.14Å; R36-D38 VanDerWaalsContact O-N 3.13Å; D38-R40 VanDerWaalsContact C-N 3.34Å; D38-R40 IonicContact OD2-CZ 2.74Å; D38-R40 IonicContact OD2-NE 3.37Å; D38-R40 IonicContact OD2-NH2 3.61Å; D38-R40 PolarHBondContact OD2-NH2 2.99Å; D38-T197 WeakPolarHBondContact OD2-CG2 3.44Å
39G61.1Low62.1Low56 Ų5672.9 Ų72.958%0.57745%0.447SS*.SBendtrans83.9-1.4-174.400000115.5R36 V37R36-G39 PolarHBondContact O-N 3.34Å; V37-G39 VanDerWaalsContact C-N 3.34Å
40R70.9Confident64.6Low22 Ų2269.3 Ų69.38%0.08342%0.421CS..PPolyproline II helixtrans-68.3144.7171.6-69.8-178-75.7160-3.2111R36 D38 D46 R48 I194 D195R36-R40 HydrophobicContact CB-CB 4.37Å; R36-R40 VanDerWaalsContact CB-O 3.3Å; R36-R40 WeakPolarHBondContact CB-O 3.47Å; R36-R40 HydrophobicContact CG-CB 4.45Å; R36-R40 VanDerWaalsContact CG-O 3.3Å; R36-R40 WeakPolarHBondContact CG-O 3.27Å; R36-R40 PolarHBondContact N-O 3.47Å; D38-R40 VanDerWaalsContact C-N 3.34Å; D38-R40 IonicContact OD2-CZ 2.74Å; D38-R40 IonicContact OD2-NE 3.37Å; D38-R40 IonicContact OD2-NH2 3.61Å; D38-R40 PolarHBondContact OD2-NH2 2.99Å; R40-D46 PolarHBondContact NH1-O 2.99Å; R40-R48 VanDerWaalsContact CZ-CG 3.48Å; R40-I194 PolarHBondContact NH1-O 3.48Å; R40-D195 PolarHBondContact NH1-O 3.13Å; R40-D195 PolarHBondContact NH2-O 3.39Å
41Q66.2Low67.2Low112 Ų11268 Ų6852%0.52340%0.404SS..BIsolated β-bridgetrans-80.7145.8177.5-70.2-175.2-15.300112.1D34D34-Q41 WeakPolarHBondContact O-CA 3.4Å
42R61.5Low69.8Low79 Ų7966.3 Ų66.330%0.29839%0.388SS..THydrogen-bonded Turntrans-71.1135.4170.6-64.4174.3173.7-126.7-10.7108.3D34 R36 Q44 E188 L193D34-R42 PolarHBondContact O-N 3.4Å; R36-R42 HydrophobicContact CG-CG 4.18Å; R42-Q44 PolarHBondContact O-N 3.39Å; R42-E188 IonicContact CZ-OE2 2.7Å; R42-E188 VanDerWaalsContact CZ-OE2 3.31Å; R42-E188 IonicContact NH1-OE2 3.56Å; R42-E188 PolarHBondContact NH1-OE2 2.99Å; R42-E188 IonicContact NH2-OE2 3.27Å; R42-E188 PolarHBondContact NH2-OE2 2.9Å; R42-L193 HydrophobicContact CG-CD2 4.26Å
43G58.4Low72.2Confident66 Ų6667.2 Ų67.268%0.6838%0.377SS*.THydrogen-bonded Turntrans88.9-15.4-179.200000116.6
44Q65.9Low74.1Confident101 Ų10159.9 Ų59.947%0.47234%0.339SS..SBendtrans-81.2134166.7-164.2172.55.400109.9R42 D46R42-Q44 PolarHBondContact O-N 3.39Å; Q44-D46 HydrophobicContact CB-CB 4.47Å; Q44-D46 HydrophobicContact CG-CB 4.22Å; Q44-D46 PolarHBondContact O-N 3Å
45V67.9Low75.7Confident21 Ų2157.3 Ų57.313%0.12733%0.334CS..  trans-72.965.8172.9179.50000108.7I194 T248 E251 K255V45-I194 VanDerWaalsContact CA-CD1 3.45Å; V45-I194 HydrophobicContact CB-CD1 3.6Å; V45-I194 HydrophobicContact CG1-CD1 3.2Å; V45-I194 HydrophobicContact CG2-CD1 3.88Å; V45-T248 HydrophobicContact CG2-CG2 4.33Å; V45-E251 HydrophobicContact CG1-CB 3.94Å; V45-K255 HydrophobicContact CG1-CD 3.99Å; V45-K255 WeakPolarHBondContact O-CD 3.45Å; V45-K255 WeakPolarHBondContact O-CE 3.35Å; V45-K255 PolarHBondContact O-NZ 3.41Å
46D74.8Confident77.1Confident63 Ų6359.5 Ų59.534%0.33734%0.341SS..  trans-110.7124.2-175.1-157.323000111.4R40 Q44R40-D46 PolarHBondContact NH1-O 2.99Å; Q44-D46 HydrophobicContact CB-CB 4.47Å; Q44-D46 HydrophobicContact CG-CB 4.22Å; Q44-D46 PolarHBondContact O-N 3Å
47V80.5Confident78.2Confident19 Ų1961.4 Ų61.412%0.11535%0.351CS..PPolyproline II helixtrans-95.9149.9-178.8-171.30000108.2I194 D195 L256V47-I194 HydrophobicContact CG2-CG2 4.26Å; V47-D195 HydrophobicContact CG1-CB 4.18Å; V47-L256 HydrophobicContact CB-CD2 4.32Å; V47-L256 HydrophobicContact CB-CG 4.5Å; V47-L256 HydrophobicContact CG1-CD1 4.11Å; V47-L256 HydrophobicContact CG1-CD2 3.71Å; V47-L256 HydrophobicContact CG1-CG 4Å; V47-L256 HydrophobicContact CG2-CG 4.32Å
48R85.6Confident79.4Confident16 Ų1661.4 Ų61.46%0.0636%0.356CS..PPolyproline II helixtrans-57.9159176.5-69.8178.4-85-165-12.1111.1R40 V50 D154 G155 D195 P196R40-R48 VanDerWaalsContact CZ-CG 3.48Å; R48-V50 WeakPolarHBondContact O-CG2 3.46Å; R48-V50 PolarHBondContact O-N 3.33Å; R48-V50 VanDerWaalsContact O-N 3.08Å; R48-D154 PolarHBondContact NH1-O 3.36Å; R48-D154 IonicContact NH1-OD2 2.73Å; R48-G155 PolarHBondContact NH2-O 3.35Å; R48-D195 VanDerWaalsContact CB-OD2 3.24Å; R48-D195 WeakPolarHBondContact CB-OD2 3.43Å; R48-D195 WeakPolarHBondContact CG-OD2 3.38Å; R48-D195 IonicContact CZ-OD1 2.84Å; R48-D195 IonicContact CZ-OD2 3.93Å; R48-D195 PolarHBondContact N-OD2 2.92Å; R48-D195 VanDerWaalsContact N-OD2 3.13Å; R48-D195 IonicContact NE-OD1 3.8Å; R48-D195 PolarHBondContact NE-OD1 3.39Å; R48-D195 IonicContact NE-OD2 3.31Å; R48-D195 PolarHBondContact NE-OD2 2.63Å; R48-D195 IonicContact NH2-OD1 3.72Å; R48-D195 PolarHBondContact NH2-OD1 3Å; R48-D195 IonicContact NH2-OD2 3.32Å; R48-P196 PolarHBondContact NH2-O 3.41Å
49S86.1Confident80.9Confident101 Ų10165.4 Ų65.471%0.70637%0.373SS*.PPolyproline II helixtrans-60.2116.9171.457.20000109.5G69S49-G69 PolarHBondContact O-N 3.21Å
50V91.1Very high82.5Confident26 Ų2663.2 Ų63.216%0.15835%0.349CS..EExtended strand (participates in β ladder)trans-103.2120.6-178.9174.50000110R48 V52 I66 E67 A68 L256R48-V50 WeakPolarHBondContact O-CG2 3.46Å; R48-V50 PolarHBondContact O-N 3.33Å; R48-V50 VanDerWaalsContact O-N 3.08Å; V50-V52 HydrophobicContact CG1-CG2 3.48Å; V50-V52 VanDerWaalsContact CG1-CG2 3.48Å; V50-I66 HydrophobicContact CG1-CD1 3.99Å; V50-I66 HydrophobicContact CG1-CG1 4.01Å; V50-E67 CarbonylContact C-O 3.6Å; V50-E67 WeakPolarHBondContact CA-O 3.34Å; V50-A68 HydrophobicContact CG2-CB 4.09Å; V50-L256 HydrophobicContact CB-CD2 4.28Å; V50-L256 HydrophobicContact CG2-CD2 3.63Å
51F94.1Very high83.6Confident113 Ų11367.9 Ų67.950%0.49637%0.37SS..EExtended strand (participates in β ladder)trans-104.8131.1166.8176.2-95.7000109.6R53 Y65 I66 E67F51-R53 HydrophobicContact CE1-CB 4.18Å; F51-R53 HydrophobicContact CZ-CB 4.37Å; F51-Y65 HydrophobicContact CD1-CD1 4.12Å; F51-Y65 AromaticContact CD1-CE1 3.95Å; F51-Y65 HydrophobicContact CD1-CE1 3.95Å; F51-Y65 HydrophobicContact CE1-CD1 4.06Å; F51-Y65 HydrophobicContact CE1-CE1 4.11Å; F51-I66 CarbonylContact O-C 3.47Å; F51-I66 WeakPolarHBondContact O-CA 3.36Å; F51-E67 HydrophobicContact CB-CB 4.26Å; F51-E67 PolarHBondContact N-O 2.97Å; F51-E67 PolarHBondContact O-N 2.81Å
52V93.9Very high85Confident16 Ų1662.6 Ų62.610%0.09735%0.345CS..EExtended strand (participates in β ladder)trans-137.6136.9-173.5163.70000109.9V50 Y65 I66 M167 A263V50-V52 HydrophobicContact CG1-CG2 3.48Å; V50-V52 VanDerWaalsContact CG1-CG2 3.48Å; V52-Y65 WeakPolarHBondContact CA-O 3.48Å; V52-I66 HydrophobicContact CG2-CB 4.14Å; V52-I66 HydrophobicContact CG2-CD1 3.82Å; V52-I66 HydrophobicContact CG2-CG1 3.65Å; V52-M167 HydrophobicContact CB-SD 4.37Å; V52-M167 HydrophobicContact CG1-CE 3.1Å; V52-M167 HydrophobicContact CG1-SD 3.17Å; V52-M167 WeakPolarHBondContact CG1-SD 3.43Å; V52-M167 HydrophobicContact CG2-SD 4.28Å; V52-A263 HydrophobicContact CB-CB 4.07Å; V52-A263 HydrophobicContact CG1-CB 3.6Å
53R93.4Very high86.6Confident110 Ų11058.9 Ų58.942%0.41533%0.331SS..EExtended strand (participates in β ladder)trans-143.9120.7176.8-176.1174.7177.8171.5-1.4111.5F51 A64 Y65F51-R53 HydrophobicContact CE1-CB 4.18Å; F51-R53 HydrophobicContact CZ-CB 4.37Å; R53-A64 CarbonylContact O-C 3.54Å; R53-A64 WeakPolarHBondContact O-CA 3.46Å; R53-Y65 PolarHBondContact N-O 2.78Å; R53-Y65 PolarHBondContact O-N 3.35Å
54C94.2Very high88.4Confident11 Ų1155.8 Ų55.87%0.07430%0.299CS..EExtended strand (participates in β ladder)trans-85.3158.2169.6-59.10000111.8S63 M167 D171 A267C54-S63 CarbonylContact C-O 3.57Å; C54-S63 WeakPolarHBondContact CA-O 3.44Å; C54-M167 WeakPolarHBondContact SG-CE 3.47Å; C54-D171 HydrophobicContact CB-CB 4.16Å; C54-A267 HydrophobicContact CB-CB 3.79Å
55G90.3Very high89.9Confident37 Ų3752.7 Ų52.738%0.38128%0.284SS..  trans67.839.2173.600000113.8S63 D171G55-S63 WeakPolarHBondContact CA-OG 3.49Å; G55-S63 PolarHBondContact N-O 3.03Å; G55-D171 WeakPolarHBondContact CA-OD2 2.9Å; G55-D171 PolarHBondContact N-OD2 3.43Å
56L90.4Very high91.2Very high76 Ų7651.9 Ų51.940%0.39828%0.278SS..  trans-77.2-39.7178.2-17076.4000112.1S63 Y65 I74L56-S63 PolarHBondContact N-OG 3.37Å; L56-Y65 HydrophobicContact CD2-CG 4.43Å; L56-I74 HydrophobicContact CD2-CD1 4.35Å
57I93.1Very high92.2Very high49 Ų4951.6 Ų51.625%0.25128%0.275SS..  trans-102.9120.1-173.7-63.1169.3000108.9Q59 A60 S63 I74 C76I57-Q59 HydrophobicContact CG2-CB 4.4Å; I57-A60 HydrophobicContact CB-CB 4.47Å; I57-A60 HydrophobicContact CG2-CB 4.03Å; I57-S63 PolarHBondContact N-OG 2.74Å; I57-S63 PolarHBondContact O-OG 2.55Å; I57-I74 HydrophobicContact CD1-CG2 3.48Å; I57-I74 VanDerWaalsContact CD1-CG2 3.48Å; I57-C76 WeakPolarHBondContact CD1-SG 3.44Å
58S88.8Confident92.7Very high114 Ų11450.7 Ų50.780%0.79727%0.27SS*.SBendtrans-77.1-24.9-177.653.70000114.3
59Q91.7Very high92.9Very high166 Ų16651 Ų5178%0.77628%0.278SS*.SBendtrans-81-23.1-177.9-62.1-62.2-29.600113.1I57I57-Q59 HydrophobicContact CG2-CB 4.4Å
60A93.6Very high93.1Very high10 Ų1050.3 Ų50.38%0.08327%0.266CS..SBendtrans-88.3150.2175.800000109.4I57 G62 C76 Y78I57-A60 HydrophobicContact CB-CB 4.47Å; I57-A60 HydrophobicContact CG2-CB 4.03Å; A60-G62 VanDerWaalsContact C-N 3.32Å; A60-G62 WeakPolarHBondContact CB-O 3.49Å; A60-C76 HydrophobicContact CB-CB 4.15Å; A60-Y78 HydrophobicContact CB-CE1 4.08Å
61K93.8Very high93.2Very high120 Ų12049.1 Ų49.152%0.52226%0.259SS..SBendtrans-68.4-37.8178.6-168.3-179.5-174.6-179.60111.4V77 G79 A172K61-V77 PolarHBondContact N-O 3.18Å; K61-G79 WeakPolarHBondContact CD-O 3.47Å; K61-G79 PolarHBondContact NZ-O 3.17Å; K61-A172 HydrophobicContact CB-CB 4.47Å; K61-A172 WeakPolarHBondContact CE-O 3.22Å; K61-A172 HydrophobicContact CG-CB 4.38Å
62G95.1Very high93.3Very high0 Ų046.1 Ų46.10%025%0.246CC..EExtended strand (participates in β ladder)trans-134.914716900000110.2A60 V77 D171A60-G62 VanDerWaalsContact C-N 3.32Å; A60-G62 WeakPolarHBondContact CB-O 3.49Å; G62-V77 PolarHBondContact N-O 2.95Å; G62-V77 PolarHBondContact O-N 3.43Å; G62-D171 WeakPolarHBondContact CA-OD2 3.43Å
63S96.2Very high93.5Very high1 Ų145.4 Ų45.41%0.00724%0.241CC..EExtended strand (participates in β ladder)trans-147153.4174.2560000111.3C54 G55 L56 I57 C75 D171C54-S63 CarbonylContact C-O 3.57Å; C54-S63 WeakPolarHBondContact CA-O 3.44Å; G55-S63 WeakPolarHBondContact CA-OG 3.49Å; G55-S63 PolarHBondContact N-O 3.03Å; L56-S63 PolarHBondContact N-OG 3.37Å; I57-S63 PolarHBondContact N-OG 2.74Å; I57-S63 PolarHBondContact O-OG 2.55Å; S63-C75 CarbonylContact C-O 3.53Å; S63-C75 WeakPolarHBondContact CA-O 3.22Å; S63-C75 WeakPolarHBondContact CB-O 2.87Å; S63-D171 PolarHBondContact N-OD2 3.37Å; S63-D171 VanDerWaalsContact N-OD2 3.11Å
64A96.6Very high93.6Very high1 Ų141.9 Ų41.91%0.00823%0.23CC..EExtended strand (participates in β ladder)trans-142148.1173.800000110.2R53 C75 C164 M167 A168R53-A64 CarbonylContact O-C 3.54Å; R53-A64 WeakPolarHBondContact O-CA 3.46Å; A64-C75 PolarHBondContact N-O 2.88Å; A64-C75 PolarHBondContact O-N 3.22Å; A64-C164 WeakPolarHBondContact CB-O 3.42Å; A64-C164 PolarHBondContact O-SG 2.79Å; A64-M167 HydrophobicContact CB-CB 3.89Å; A64-A168 HydrophobicContact CB-CB 3.93Å
65Y96.6Very high93.8Very high37 Ų3741.3 Ų41.315%0.14523%0.227CC..EExtended strand (participates in β ladder)trans-122.7132169.9173.4-103.9000108.1F51 V52 R53 L56 E67 K72 L73 I74 L151F51-Y65 HydrophobicContact CD1-CD1 4.12Å; F51-Y65 AromaticContact CD1-CE1 3.95Å; F51-Y65 HydrophobicContact CD1-CE1 3.95Å; F51-Y65 HydrophobicContact CE1-CD1 4.06Å; F51-Y65 HydrophobicContact CE1-CE1 4.11Å; V52-Y65 WeakPolarHBondContact CA-O 3.48Å; R53-Y65 PolarHBondContact N-O 2.78Å; R53-Y65 PolarHBondContact O-N 3.35Å; L56-Y65 HydrophobicContact CD2-CG 4.43Å; Y65-E67 HydrophobicContact CE1-CB 3.93Å; Y65-E67 PolarHBondContact OH-OE2 2.96Å; Y65-K72 HydrophobicContact CE2-CB 4.3Å; Y65-K72 WeakPolarHBondContact OH-CG 3.34Å; Y65-L73 WeakPolarHBondContact CA-O 3.47Å; Y65-L73 VanDerWaalsContact CD2-O 3.24Å; Y65-L73 WeakPolarHBondContact CD2-O 3.22Å; Y65-I74 HydrophobicContact CD2-CD1 4.42Å; Y65-I74 HydrophobicContact CD2-CG1 3.66Å; Y65-I74 HydrophobicContact CE2-CG1 4.35Å; Y65-L151 HydrophobicContact CE2-CD1 4.4Å
66I95.8Very high94.1Very high3 Ų340.3 Ų40.32%0.01521%0.214CC..EExtended strand (participates in β ladder)trans-127.7140.1174.1-172.5163.6000109.2V50 F51 V52 L73 T163 C164V50-I66 HydrophobicContact CG1-CD1 3.99Å; V50-I66 HydrophobicContact CG1-CG1 4.01Å; F51-I66 CarbonylContact O-C 3.47Å; F51-I66 WeakPolarHBondContact O-CA 3.36Å; V52-I66 HydrophobicContact CG2-CB 4.14Å; V52-I66 HydrophobicContact CG2-CD1 3.82Å; V52-I66 HydrophobicContact CG2-CG1 3.65Å; I66-L73 HydrophobicContact CG2-CB 3.68Å; I66-L73 HydrophobicContact CG2-CD1 3.93Å; I66-L73 HydrophobicContact CG2-CG 4.1Å; I66-L73 PolarHBondContact N-O 3.45Å; I66-L73 PolarHBondContact O-N 2.87Å; I66-T163 HydrophobicContact CD1-CG2 4.13Å; I66-C164 HydrophobicContact CB-CB 4.39Å; I66-C164 HydrophobicContact CG2-CB 3.62Å
67E95.1Very high94.4Very high58 Ų5836.7 Ų36.727%0.27120%0.195SC..EExtended strand (participates in β ladder)trans-132.4116.5175176.8167.5-17500107.9V50 F51 Y65 T71 K72V50-E67 CarbonylContact C-O 3.6Å; V50-E67 WeakPolarHBondContact CA-O 3.34Å; F51-E67 HydrophobicContact CB-CB 4.26Å; F51-E67 PolarHBondContact N-O 2.97Å; F51-E67 PolarHBondContact O-N 2.81Å; Y65-E67 HydrophobicContact CE1-CB 3.93Å; Y65-E67 PolarHBondContact OH-OE2 2.96Å; E67-T71 CarbonylContact C-O 3.56Å; E67-T71 VanDerWaalsContact CA-O 3.3Å; E67-T71 WeakPolarHBondContact CA-O 3.17Å; E67-K72 HydrophobicContact CB-CG 4.28Å; E67-K72 HydrophobicContact CG-CG 3.93Å; E67-K72 WeakPolarHBondContact OE1-CE 3.38Å
68A91.8Very high94.5Very high0 Ų037.3 Ų37.30%019%0.194CC..EExtended strand (participates in β ladder)trans-123.597.9179.600000108.4V50 N70 T71 H160V50-A68 HydrophobicContact CG2-CB 4.09Å; A68-N70 PolarHBondContact O-N 2.85Å; A68-T71 PolarHBondContact N-O 3.46Å; A68-T71 PolarHBondContact O-N 3.22Å; A68-T71 VanDerWaalsContact O-N 3.07Å; A68-H160 VanDerWaalsContact CB-CE1 3.4Å; A68-H160 WeakPolarHBondContact CB-CE1 3.4Å
69G89.3Confident94.3Very high23 Ų2332.4 Ų32.424%0.23716%0.161CC..THydrogen-bonded Turntrans60.5-120.4-165.200000110.5S49S49-G69 PolarHBondContact O-N 3.21Å
70N90.8Very high94.2Very high85 Ų8526.8 Ų26.846%0.45514%0.139SC..THydrogen-bonded Turntrans-92-9.7175.6-48.3-56.7000113.3A68 K72 E152 D154A68-N70 PolarHBondContact O-N 2.85Å; N70-K72 PolarHBondContact O-N 3.36Å; N70-E152 WeakPolarHBondContact O-CB 3.3Å; N70-E152 WeakPolarHBondContact O-CG 3.37Å; N70-D154 HydrophobicContact CB-CB 3.75Å; N70-D154 WeakPolarHBondContact CB-OD2 3.41Å; N70-D154 PolarHBondContact ND2-OD2 3.27Å
71T93.8Very high94Very high1 Ų132.4 Ų32.41%0.00616%0.158CC..EExtended strand (participates in β ladder)trans-71.6118.3177.1-62.20000109.3E67 A68 L73 E152 D154 G155E67-T71 CarbonylContact C-O 3.56Å; E67-T71 VanDerWaalsContact CA-O 3.3Å; E67-T71 WeakPolarHBondContact CA-O 3.17Å; A68-T71 PolarHBondContact N-O 3.46Å; A68-T71 PolarHBondContact O-N 3.22Å; A68-T71 VanDerWaalsContact O-N 3.07Å; T71-L73 HydrophobicContact CG2-CD2 4.42Å; T71-L73 HydrophobicContact CG2-CG 4.28Å; T71-E152 WeakPolarHBondContact CA-O 3.32Å; T71-D154 VanDerWaalsContact OG1-C 3.25Å; T71-D154 WeakPolarHBondContact OG1-CA 3.46Å; T71-D154 WeakPolarHBondContact OG1-CB 3.48Å; T71-D154 PolarHBondContact OG1-N 3.29Å; T71-G155 PolarHBondContact OG1-O 3.14Å; T71-G155 VanDerWaalsContact OG1-O 3.06Å
72K96.1Very high93.7Very high51 Ų5134.6 Ų34.622%0.22217%0.17CC..EExtended strand (participates in β ladder)trans-124125.5-177.9-67.2171.2-171.2138.90110.7Y65 E67 N70 L151 E152Y65-K72 HydrophobicContact CE2-CB 4.3Å; Y65-K72 WeakPolarHBondContact OH-CG 3.34Å; E67-K72 HydrophobicContact CB-CG 4.28Å; E67-K72 HydrophobicContact CG-CG 3.93Å; E67-K72 WeakPolarHBondContact OE1-CE 3.38Å; N70-K72 PolarHBondContact O-N 3.36Å; K72-L151 HydrophobicContact CB-CB 4.13Å; K72-L151 WeakPolarHBondContact O-CB 3.48Å; K72-L151 PolarHBondContact O-N 2.88Å; K72-E152 HydrophobicContact CB-CB 4.16Å; K72-E152 HydrophobicContact CD-CB 4.46Å; K72-E152 HydrophobicContact CG-CB 4.49Å; K72-E152 PolarHBondContact N-O 3.07Å; K72-E152 IonicContact NZ-OE2 3.8Å; K72-E152 PolarHBondContact NZ-OE2 3.07Å; K72-E152 PolarHBondContact O-N 3.06Å
73L96.4Very high93.1Very high0 Ų035.4 Ų35.40%018%0.175CC..EExtended strand (participates in β ladder)trans-131.3143.9-177.5-50.9173.7000110.8Y65 I66 T71 V150 V157 H160 A161Y65-L73 WeakPolarHBondContact CA-O 3.47Å; Y65-L73 VanDerWaalsContact CD2-O 3.24Å; Y65-L73 WeakPolarHBondContact CD2-O 3.22Å; I66-L73 HydrophobicContact CG2-CB 3.68Å; I66-L73 HydrophobicContact CG2-CD1 3.93Å; I66-L73 HydrophobicContact CG2-CG 4.1Å; I66-L73 PolarHBondContact N-O 3.45Å; I66-L73 PolarHBondContact O-N 2.87Å; T71-L73 HydrophobicContact CG2-CD2 4.42Å; T71-L73 HydrophobicContact CG2-CG 4.28Å; L73-V150 HydrophobicContact CD2-CB 3.71Å; L73-V150 HydrophobicContact CD2-CG1 3.59Å; L73-V150 HydrophobicContact CD2-CG2 3.56Å; L73-V157 HydrophobicContact CD2-CG1 4Å; L73-H160 VanDerWaalsContact CD1-C 3.41Å; L73-H160 HydrophobicContact CD1-CB 3.47Å; L73-H160 VanDerWaalsContact CD1-CB 3.47Å; L73-A161 HydrophobicContact CD1-CB 4.15Å; L73-A161 VanDerWaalsContact CD1-N 3.34Å
74I97Very high91.9Very high36 Ų3644.4 Ų44.419%0.18522%0.217CC..EExtended strand (participates in β ladder)trans-119130.5168.5-70.3178.3000108L56 I57 Y65 M149 L151L56-I74 HydrophobicContact CD2-CD1 4.35Å; I57-I74 HydrophobicContact CD1-CG2 3.48Å; I57-I74 VanDerWaalsContact CD1-CG2 3.48Å; Y65-I74 HydrophobicContact CD2-CD1 4.42Å; Y65-I74 HydrophobicContact CD2-CG1 3.66Å; Y65-I74 HydrophobicContact CE2-CG1 4.35Å; I74-M149 PolarHBondContact N-O 3.04Å; I74-M149 PolarHBondContact O-N 3.35Å; I74-L151 HydrophobicContact CD1-CD1 3.68Å; I74-L151 HydrophobicContact CD1-CG 4.41Å; I74-L151 HydrophobicContact CG1-CD1 3.92Å; I74-L151 HydrophobicContact CG1-CG 4.47Å
75C97.2Very high90.4Very high0 Ų052.6 Ų52.60%025%0.248CC..EExtended strand (participates in β ladder)trans-115.7137.7171.1-174.50000110.9S63 A64 V146 N147 V148 C164 A168S63-C75 CarbonylContact C-O 3.53Å; S63-C75 WeakPolarHBondContact CA-O 3.22Å; S63-C75 WeakPolarHBondContact CB-O 2.87Å; A64-C75 PolarHBondContact N-O 2.88Å; A64-C75 PolarHBondContact O-N 3.22Å; C75-V146 VanDerWaalsContact SG-CG1 3.53Å; C75-N147 CarbonylContact C-O 3.56Å; C75-N147 WeakPolarHBondContact CA-O 3.47Å; C75-V148 HydrophobicContact CB-CG2 4.19Å; C75-C164 HydrophobicContact CB-CB 4.21Å; C75-C164 WeakPolarHBondContact CB-SG 3.3Å; C75-A168 HydrophobicContact CB-CB 4Å
76C97.1Very high88.9Confident16 Ų1659.3 Ų59.311%0.10828%0.278CS..EExtended strand (participates in β ladder)trans-121.5135.3174.6-59.70000109.2I57 A60 Y78 N147I57-C76 WeakPolarHBondContact CD1-SG 3.44Å; A60-C76 HydrophobicContact CB-CB 4.15Å; C76-Y78 HydrophobicContact CB-CE2 3.88Å; C76-N147 PolarHBondContact N-O 2.94Å; C76-N147 PolarHBondContact O-N 3.43Å
77V97.1Very high87.6Confident0 Ų063 Ų630%030%0.297CS..EExtended strand (participates in β ladder)trans-115.6127173.2175.80000109.5K61 G62 I144 E145 V146 A168 L169 A172 I174K61-V77 PolarHBondContact N-O 3.18Å; G62-V77 PolarHBondContact N-O 2.95Å; G62-V77 PolarHBondContact O-N 3.43Å; V77-I144 HydrophobicContact CG1-CG2 4.11Å; V77-E145 WeakPolarHBondContact CA-O 3.33Å; V77-V146 HydrophobicContact CG2-CG1 4.21Å; V77-V146 HydrophobicContact CG2-CG2 4.18Å; V77-A168 HydrophobicContact CG2-CB 3.57Å; V77-L169 HydrophobicContact CG1-CD2 3.98Å; V77-L169 HydrophobicContact CG2-CD2 4.03Å; V77-L169 HydrophobicContact CG2-CG 4.24Å; V77-A172 HydrophobicContact CB-CB 4.24Å; V77-A172 HydrophobicContact CG1-CB 3.93Å; V77-I174 HydrophobicContact CG1-CD1 3.6Å
78Y94.8Very high86Confident62 Ų6268.4 Ų68.424%0.24332%0.323CS..EExtended strand (participates in β ladder)trans-115.3115.9172.3-56.7-79.6000108.7A60 C76 E145A60-Y78 HydrophobicContact CB-CE1 4.08Å; C76-Y78 HydrophobicContact CB-CE2 3.88Å; Y78-E145 PolarHBondContact N-O 3.12Å; Y78-E145 PolarHBondContact O-N 3.22Å
79G84.3Confident84.7Confident10 Ų1073.5 Ų73.510%0.10335%0.354CS..EExtended strand (participates in β ladder)trans162.3175.4176.700000113.2K61K61-G79 WeakPolarHBondContact CD-O 3.47Å; K61-G79 PolarHBondContact NZ-O 3.17Å
80P89.9Confident83.4Confident48 Ų4873.4 Ų73.431%0.31235%0.348SS..EExtended strand (participates in β ladder)cis-71.7130.3-12.525.9-27.8000111Y139 I144P80-Y139 HydrophobicContact CB-CD1 4.27Å; P80-Y139 HydrophobicContact CG-CD1 4.13Å; P80-Y139 HydrophobicContact CG-CE1 4.29Å; P80-I144 HydrophobicContact CB-CG1 4.48Å
81R90.5Very high82.3Confident128 Ų12873.6 Ų73.648%0.48335%0.347SS..EExtended strand (participates in β ladder)trans-107.4150.3172.7-69.7-179.1176.1167.9-1.6109.5T83 S142 Q143 E145R81-T83 PolarHBondContact O-N 3.24Å; R81-S142 CarbonylContact O-C 3.42Å; R81-S142 VanDerWaalsContact O-CA 3.26Å; R81-S142 WeakPolarHBondContact O-CA 3.38Å; R81-Q143 PolarHBondContact N-O 3.27Å; R81-Q143 PolarHBondContact O-N 2.83Å; R81-E145 IonicContact NH1-OE2 2.55Å; R81-E145 PolarHBondContact NH1-OE2 3.33Å
82E87.6Confident81.5Confident167 Ų16782.1 Ų82.178%0.7839%0.385SS*.EExtended strand (participates in β ladder)trans-69.7131.6174.7-171.1171.6-171.800110.4
83T80.8Confident80.9Confident16 Ų1681.4 Ų81.410%0.09839%0.386CS..  trans-78.3127178.9-49.50000110.2R81 R85 R141 Q143R81-T83 PolarHBondContact O-N 3.24Å; T83-R85 VanDerWaalsContact C-N 3.3Å; T83-R85 HydrophobicContact CG2-CB 4.21Å; T83-R85 WeakPolarHBondContact CG2-O 3.45Å; T83-R85 PolarHBondContact O-N 3.19Å; T83-R141 PolarHBondContact N-O 3.38Å; T83-R141 VanDerWaalsContact N-O 3.14Å; T83-Q143 WeakPolarHBondContact OG1-CB 3.35Å
84E71.2Confident80.4Confident190 Ų19081.6 Ų81.689%0.88839%0.388SS*.SBendtrans-70.1-27.8176.1-64.4-169.8159.400112.9
85R66.1Low80.1Confident173 Ų17384 Ų8465%0.65339%0.394SS*.  trans-84.4119.7178.2-65.5-172.4-179-176.11.6110.6T83 D87T83-R85 VanDerWaalsContact C-N 3.3Å; T83-R85 HydrophobicContact CG2-CB 4.21Å; T83-R85 WeakPolarHBondContact CG2-O 3.45Å; T83-R85 PolarHBondContact O-N 3.19Å; R85-D87 VanDerWaalsContact C-N 3.33Å; R85-D87 PolarHBondContact O-N 3.01Å
86K64.6Low79.9Confident178 Ų17884.7 Ų84.777%0.77440%0.398SS*.  trans-94.260.9178.8-65178-178.5176.30110.3
87D67.4Low79.7Confident80 Ų8085.8 Ų85.843%0.42840%0.403SS..  trans-74.8142171.2-64.3-28.1000108.9R85 T89 D90R85-D87 VanDerWaalsContact C-N 3.33Å; R85-D87 PolarHBondContact O-N 3.01Å; D87-T89 PolarHBondContact O-N 3.15Å; D87-D90 PolarHBondContact O-N 3.19Å
88E62.7Low79.7Confident172 Ų17286.1 Ų86.180%0.80441%0.405SS*.G310 helixtrans-60.7-31.5-174.5-68.9-171.8158.200113.1M91E88-M91 PolarHBondContact O-N 2.94Å
89T63.9Low79.7Confident107 Ų10785.5 Ų85.566%0.65641%0.405SS*.G310 helixtrans-66.5-35.8176.6-47.50000112.2D87 M91 K92D87-T89 PolarHBondContact O-N 3.15Å; T89-M91 PolarHBondContact O-N 3.19Å; T89-K92 PolarHBondContact O-N 3.31Å
90D62.3Low80.2Confident22 Ų2285 Ų8512%0.11840%0.401CS..G310 helixtrans-72.9-10.4-177.6-70.3-13.5000112.2D87 R95 R141D87-D90 PolarHBondContact O-N 3.19Å; D90-R95 IonicContact OD2-NH1 2.93Å; D90-R141 WeakPolarHBondContact O-CA 3.41Å; D90-R141 PolarHBondContact O-N 3.14Å
91M67.8Low80.3Confident88 Ų8888.4 Ų88.443%0.43341%0.407SS..G310 helixtrans-76.1-24.9176.4-61.4-158.3-176.500113.6E88 T89E88-M91 PolarHBondContact O-N 2.94Å; T89-M91 PolarHBondContact O-N 3.19Å
92K76.5Confident80.5Confident181 Ų18184 Ų8479%0.78739%0.392SS*.THydrogen-bonded Turntrans-103-27.7-175.4-65.4-175.7-177.2176.20113.7T89T89-K92 PolarHBondContact O-N 3.31Å
93S83.7Confident80.8Confident35 Ų3576.4 Ų76.425%0.24536%0.357CS..SBendtrans-138.5147.2179.8540000110.4
94G86Confident81.3Confident4 Ų478 Ų784%0.04137%0.367CS..PPolyproline II helixtrans-65.2155.6170.900000112.5L136 Y139 S142G94-L136 PolarHBondContact N-O 2.74Å; G94-Y139 WeakPolarHBondContact CA-O 3.44Å; G94-Y139 PolarHBondContact N-O 3.49Å; G94-Y139 VanDerWaalsContact N-O 3.13Å; G94-S142 CarbonylContact C-O 3.54Å; G94-S142 VanDerWaalsContact CA-O 3.29Å; G94-S142 WeakPolarHBondContact CA-O 3.49Å
95R89.9Confident82.2Confident87 Ų8776.1 Ų76.133%0.32836%0.357SS..EExtended strand (participates in β ladder)trans-102.2125.8178.6-174.8174.9178.5161.70.8110.1D90 I97 S142 Q143 I144D90-R95 IonicContact OD2-NH1 2.93Å; R95-I97 HydrophobicContact CG-CG1 4.06Å; R95-S142 PolarHBondContact N-O 3.47Å; R95-Q143 CarbonylContact O-C 3.59Å; R95-Q143 WeakPolarHBondContact O-CA 3.49Å; R95-I144 PolarHBondContact O-N 3.08Å
96L93Very high83.4Confident14 Ų1468.3 Ų68.37%0.07333%0.328CS..EExtended strand (participates in β ladder)trans-93.7128.7167.5-17364.3000108.3T98 L127 L130 L136 I144 V146L96-T98 HydrophobicContact CD1-CG2 4.41Å; L96-T98 HydrophobicContact CD2-CG2 4.19Å; L96-T98 HydrophobicContact CG-CG2 3.94Å; L96-L127 VanDerWaalsContact O-CD1 3.23Å; L96-L127 WeakPolarHBondContact O-CD1 3.45Å; L96-L130 HydrophobicContact CD2-CB 3.79Å; L96-L136 HydrophobicContact CB-CD1 4.43Å; L96-L136 HydrophobicContact CB-CD2 4.15Å; L96-I144 HydrophobicContact CD1-CB 4.08Å; L96-I144 HydrophobicContact CD1-CG2 3.85Å; L96-V146 HydrophobicContact CD1-CG2 3.76Å
97I94.1Very high84.5Confident40 Ų4061.8 Ų61.821%0.20531%0.305CS..EExtended strand (participates in β ladder)trans-120.9134169.4-57.1-166.7000107.2R95 Q143 I144 E145 V146R95-I97 HydrophobicContact CG-CG1 4.06Å; I97-Q143 VanDerWaalsContact CD1-CD 3.44Å; I97-Q143 HydrophobicContact CD1-CG 4.06Å; I97-Q143 HydrophobicContact CG1-CG 4.12Å; I97-I144 PolarHBondContact N-O 2.89Å; I97-E145 HydrophobicContact CB-CG 4.49Å; I97-E145 CarbonylContact O-C 3.54Å; I97-E145 WeakPolarHBondContact O-CA 3.29Å; I97-V146 PolarHBondContact O-N 2.99Å
98T95.7Very high85.3Confident7 Ų765.4 Ų65.44%0.04331%0.312CS..EExtended strand (participates in β ladder)trans-129.4127.8-179.661.10000109.5L96 S123 L126 L127 L130 V146L96-T98 HydrophobicContact CD1-CG2 4.41Å; L96-T98 HydrophobicContact CD2-CG2 4.19Å; L96-T98 HydrophobicContact CG-CG2 3.94Å; T98-S123 WeakPolarHBondContact O-CB 3.24Å; T98-S123 PolarHBondContact OG1-O 2.85Å; T98-L126 HydrophobicContact CG2-CD2 3.69Å; T98-L127 HydrophobicContact CG2-CB 4.27Å; T98-L127 HydrophobicContact CG2-CD1 4.44Å; T98-L127 WeakPolarHBondContact OG1-CA 3.5Å; T98-L127 VanDerWaalsContact OG1-CB 3.24Å; T98-L127 WeakPolarHBondContact OG1-CB 3.37Å; T98-L127 PolarHBondContact OG1-N 2.71Å; T98-L130 HydrophobicContact CG2-CD1 4.39Å; T98-V146 CarbonylContact C-O 3.58Å; T98-V146 VanDerWaalsContact CA-O 3.26Å; T98-V146 WeakPolarHBondContact CA-O 3.37Å; T98-V146 HydrophobicContact CG2-CB 4.02Å; T98-V146 HydrophobicContact CG2-CG2 4.3Å
99D95.3Very high86.4Confident49 Ų4962.1 Ų62.126%0.26230%0.297SS..EExtended strand (participates in β ladder)trans-120119.2176.2-79.7-6.7000108.8R101 V146 N147 V148D99-R101 IonicContact OD2-NH2 2.8Å; D99-V146 PolarHBondContact N-O 3.13Å; D99-N147 CarbonylContact O-C 3.55Å; D99-N147 WeakPolarHBondContact O-CA 3.26Å; D99-V148 PolarHBondContact O-N 3.23Å
100M94.5Very high87.5Confident0 Ų066.7 Ų66.70%030%0.302CS..EExtended strand (participates in β ladder)trans-103.4128.9170-171.9168.6175.500109.3F102 Q115 L122 S123 V148 V150 V157 A161M100-F102 HydrophobicContact CE-CE2 4Å; M100-F102 HydrophobicContact CE-CZ 3.79Å; M100-Q115 PolarHBondContact O-NE2 2.99Å; M100-L122 HydrophobicContact CE-CD1 4.2Å; M100-L122 HydrophobicContact SD-CB 3.65Å; M100-L122 HydrophobicContact SD-CD1 4.23Å; M100-L122 HydrophobicContact SD-CG 4.45Å; M100-S123 WeakPolarHBondContact CB-OG 3.21Å; M100-S123 PolarHBondContact N-OG 2.82Å; M100-S123 PolarHBondContact O-OG 3.16Å; M100-V148 HydrophobicContact CG-CB 4.49Å; M100-V150 HydrophobicContact CE-CG2 3.66Å; M100-V157 HydrophobicContact CE-CB 4.16Å; M100-V157 HydrophobicContact CE-CG1 3.32Å; M100-A161 HydrophobicContact CE-CB 4.11Å; M100-A161 HydrophobicContact SD-CB 4.22Å
101R93.7Very high88.4Confident119 Ų11967.2 Ų67.245%0.44931%0.313SS..EExtended strand (participates in β ladder)trans-134.1142.4178.3-65.8-170.7-174.1173.76.6111.1D99 V148 M149 V150D99-R101 IonicContact OD2-NH2 2.8Å; R101-V148 PolarHBondContact N-O 3.41Å; R101-M149 HydrophobicContact CB-CE 4.07Å; R101-M149 HydrophobicContact CB-SD 4.2Å; R101-M149 WeakPolarHBondContact O-CA 3.23Å; R101-V150 PolarHBondContact O-N 2.91Å
102F94.1Very high89.1Confident36 Ų3666.8 Ų66.816%0.15832%0.319CS..EExtended strand (participates in β ladder)trans-95.1133.9171.5-68.1-105.2000109.6M100 E119 L122 V150 V157M100-F102 HydrophobicContact CE-CE2 4Å; M100-F102 HydrophobicContact CE-CZ 3.79Å; F102-E119 VanDerWaalsContact CB-OE1 3.27Å; F102-E119 WeakPolarHBondContact CB-OE1 3.22Å; F102-E119 HydrophobicContact CD2-CG 3.72Å; F102-E119 WeakPolarHBondContact CD2-OE1 3.27Å; F102-E119 HydrophobicContact CE2-CG 4.2Å; F102-E119 PolarHBondContact N-OE1 3.47Å; F102-L122 HydrophobicContact CE2-CD1 3.63Å; F102-L122 HydrophobicContact CZ-CD1 3.75Å; F102-V150 HydrophobicContact CD1-CB 3.66Å; F102-V150 HydrophobicContact CD1-CG1 3.7Å; F102-V150 HydrophobicContact CD1-CG2 3.79Å; F102-V150 HydrophobicContact CD2-CG2 4.35Å; F102-V150 HydrophobicContact CE1-CB 4.04Å; F102-V150 HydrophobicContact CE1-CG1 3.87Å; F102-V150 HydrophobicContact CE1-CG2 3.76Å; F102-V150 HydrophobicContact CE2-CG2 4.33Å; F102-V150 HydrophobicContact CG-CB 4.11Å; F102-V150 HydrophobicContact CG-CG2 4.11Å; F102-V150 HydrophobicContact CZ-CG2 4.05Å; F102-V157 HydrophobicContact CE1-CG1 4.01Å; F102-V157 HydrophobicContact CE1-CG2 4.38Å; F102-V157 HydrophobicContact CZ-CG1 4.09Å
103A93.2Very high89.3Confident6 Ų664.3 Ų64.35%0.0531%0.305CS..  trans-63.1142.2168.900000108.3F105 S106 M149 V150A103-F105 HydrophobicContact CB-CD1 4.22Å; A103-F105 HydrophobicContact CB-CD2 4.19Å; A103-F105 HydrophobicContact CB-CE1 3.85Å; A103-F105 HydrophobicContact CB-CE2 3.81Å; A103-F105 HydrophobicContact CB-CG 4.39Å; A103-F105 HydrophobicContact CB-CZ 3.62Å; A103-F105 PolarHBondContact O-N 3.14Å; A103-S106 VanDerWaalsContact O-CB 3.28Å; A103-S106 WeakPolarHBondContact O-CB 3.32Å; A103-S106 PolarHBondContact O-N 2.89Å; A103-S106 PolarHBondContact O-OG 3.11Å; A103-M149 HydrophobicContact CB-SD 4.24Å; A103-V150 WeakPolarHBondContact CB-O 3.48Å; A103-V150 PolarHBondContact N-O 2.74Å
104P91.1Very high89.4Confident49 Ų4967.1 Ų67.132%0.31832%0.316SS..THydrogen-bonded Turntrans-57.2-21.5-178-2835.1000114.5R110 G111P104-R110 HydrophobicContact CB-CG 4.4Å; P104-R110 WeakPolarHBondContact O-CA 3.14Å; P104-R110 WeakPolarHBondContact O-CG 3.36Å; P104-G111 PolarHBondContact O-N 3.33Å
105F91.8Very high89.2Confident152 Ų15268.9 Ų68.967%0.66732%0.323SS*.THydrogen-bonded Turntrans-99.40.9178.856.4-103.1000113.9A103 L151A103-F105 HydrophobicContact CB-CD1 4.22Å; A103-F105 HydrophobicContact CB-CD2 4.19Å; A103-F105 HydrophobicContact CB-CE1 3.85Å; A103-F105 HydrophobicContact CB-CE2 3.81Å; A103-F105 HydrophobicContact CB-CG 4.39Å; A103-F105 HydrophobicContact CB-CZ 3.62Å; A103-F105 PolarHBondContact O-N 3.14Å; F105-L151 WeakPolarHBondContact CE2-O 2.89Å
106S90.7Very high89.1Confident8 Ų866.4 Ų66.46%0.05633%0.325CS..SBendtrans-74.4-31.4-172.361.20000114A103 V150 L151 N153A103-S106 VanDerWaalsContact O-CB 3.28Å; A103-S106 WeakPolarHBondContact O-CB 3.32Å; A103-S106 PolarHBondContact O-N 2.89Å; A103-S106 PolarHBondContact O-OG 3.11Å; S106-V150 WeakPolarHBondContact CB-O 3.48Å; S106-L151 VanDerWaalsContact CA-O 3.22Å; S106-L151 WeakPolarHBondContact CA-O 3.44Å; S106-L151 VanDerWaalsContact CB-O 3.22Å; S106-L151 WeakPolarHBondContact CB-O 3.15Å; S106-N153 PolarHBondContact O-N 3.48Å
107C87.4Confident89Confident42 Ų4269.5 Ų69.528%0.28435%0.348SS..SBendtrans-101.7161.5179.4-68.40000110.8E109C107-E109 CarbonylContact C-O 3.59Å; C107-E109 WeakPolarHBondContact CB-O 3.22Å; C107-E109 PolarHBondContact O-N 3.49Å
108R84.1Confident88.8Confident155 Ų15573 Ų7359%0.58537%0.367SS*.SBendtrans-58.3-35.3173.6-65.3-173.6179.7179.30.2112.4F198R108-F198 HydrophobicContact CG-CE1 4.29Å
109E85.8Confident88.6Confident104 Ų10473.8 Ų73.849%0.48637%0.37SS..SBendtrans-96136170.3-57.6-158.314000109.5S16 C107 G111S16-E109 PolarHBondContact OG-OE1 2.82Å; C107-E109 CarbonylContact C-O 3.59Å; C107-E109 WeakPolarHBondContact CB-O 3.22Å; C107-E109 PolarHBondContact O-N 3.49Å; E109-G111 PolarHBondContact O-N 2.9Å; E109-G111 VanDerWaalsContact O-N 3.13Å
110R86Confident88.5Confident202 Ų20276.5 Ų76.576%0.76238%0.38SS*.  trans-67.6115.1179.8-175.4179-177167.22.3109.2P104P104-R110 HydrophobicContact CB-CG 4.4Å; P104-R110 WeakPolarHBondContact O-CA 3.14Å; P104-R110 WeakPolarHBondContact O-CG 3.36Å
111G82.4Confident88.5Confident34 Ų3480.3 Ų80.335%0.35140%0.4SS..  trans-65.6149.5175.200000112.2P104 E109P104-G111 PolarHBondContact O-N 3.33Å; E109-G111 PolarHBondContact O-N 2.9Å; E109-G111 VanDerWaalsContact O-N 3.13Å
112S82.5Confident88.5Confident79 Ų7976.3 Ų76.355%0.55239%0.387SS*.  trans-63.6154.5164-1730000109.4I114S112-I114 VanDerWaalsContact C-N 3.33Å; S112-I114 PolarHBondContact OG-N 2.81Å
113W79.9Confident88.6Confident129 Ų12975 Ų7549%0.48938%0.382SS..SBendtrans-73.6-32.3171.9111.380.2000112D4 R7 Q115D4-W113 WeakPolarHBondContact OD2-CH2 3.28Å; D4-W113 WeakPolarHBondContact OD2-CZ3 3.48Å; R7-W113 VanDerWaalsContact CZ-CD1 3.42Å; R7-W113 VanDerWaalsContact NH2-CD2 3.34Å; R7-W113 VanDerWaalsContact NH2-CE2 3.31Å; W113-Q115 PolarHBondContact O-N 2.96Å
114I85.5Confident88.7Confident94 Ų9479.4 Ų79.448%0.48240%0.404SS..SBendtrans-68.2132.9-178.6-57.8174.2000105.3S112 G116S112-I114 VanDerWaalsContact C-N 3.33Å; S112-I114 PolarHBondContact OG-N 2.81Å; I114-G116 PolarHBondContact O-N 2.94Å
115Q83.5Confident88.9Confident40 Ų4078.8 Ų78.819%0.18740%0.398CS..  trans-55.6114.2173.7-165.5-177.422.700109.4M100 W113 E119 K120 S123M100-Q115 PolarHBondContact O-NE2 2.99Å; W113-Q115 PolarHBondContact O-N 2.96Å; Q115-E119 WeakPolarHBondContact CA-OE2 3.17Å; Q115-E119 HydrophobicContact CG-CB 3.58Å; Q115-E119 HydrophobicContact CG-CG 4.48Å; Q115-E119 WeakPolarHBondContact CG-OE2 3.37Å; Q115-K120 HydrophobicContact CG-CG 3.88Å; Q115-S123 PolarHBondContact NE2-OG 3.06Å
116G87.5Confident89.1Confident35 Ų3571.6 Ų71.636%0.36137%0.366SS..  trans-67.1177177.400000112I114 D118 K120I114-G116 PolarHBondContact O-N 2.94Å; G116-D118 VanDerWaalsContact C-N 3.33Å; G116-K120 WeakPolarHBondContact O-CG 3.34Å; G116-K120 PolarHBondContact O-N 3.08Å
117S90.9Very high89.4Confident79 Ų7973 Ų7355%0.55237%0.373SS*.Hα-helixtrans-58.2-49.1167.841.60000110.6E119 K120 D121S117-E119 VanDerWaalsContact C-N 3.31Å; S117-E119 PolarHBondContact O-N 3.13Å; S117-K120 WeakPolarHBondContact O-CA 3.31Å; S117-K120 WeakPolarHBondContact O-CB 3.45Å; S117-K120 PolarHBondContact O-N 3.46Å; S117-D121 PolarHBondContact O-N 2.81Å
118D89.1Confident89.8Confident114 Ų11477 Ų7761%0.6139%0.388SS*.Hα-helixtrans-65-37.8-170.6-48.3-5000111.2G116 K120 D121 L122G116-D118 VanDerWaalsContact C-N 3.33Å; D118-K120 VanDerWaalsContact C-N 3.32Å; D118-K120 PolarHBondContact O-N 2.84Å; D118-D121 PolarHBondContact O-N 2.84Å; D118-L122 WeakPolarHBondContact O-CB 3.46Å; D118-L122 VanDerWaalsContact O-CG 3.27Å; D118-L122 WeakPolarHBondContact O-CG 3.3Å; D118-L122 PolarHBondContact O-N 3.37Å
119E92.1Very high90.3Very high23 Ų2370 Ų7011%0.10736%0.363CS..Hα-helixtrans-65.9-34.7174.7-57.9-163.8155.700112.3F102 Q115 S117 S123F102-E119 VanDerWaalsContact CB-OE1 3.27Å; F102-E119 WeakPolarHBondContact CB-OE1 3.22Å; F102-E119 HydrophobicContact CD2-CG 3.72Å; F102-E119 WeakPolarHBondContact CD2-OE1 3.27Å; F102-E119 HydrophobicContact CE2-CG 4.2Å; F102-E119 PolarHBondContact N-OE1 3.47Å; Q115-E119 WeakPolarHBondContact CA-OE2 3.17Å; Q115-E119 HydrophobicContact CG-CB 3.58Å; Q115-E119 HydrophobicContact CG-CG 4.48Å; Q115-E119 WeakPolarHBondContact CG-OE2 3.37Å; S117-E119 VanDerWaalsContact C-N 3.31Å; S117-E119 PolarHBondContact O-N 3.13Å; E119-S123 WeakPolarHBondContact O-CB 3.22Å; E119-S123 PolarHBondContact O-N 2.95Å; E119-S123 PolarHBondContact O-OG 3.41Å
120K93.3Very high90.8Very high107 Ų10765.1 Ų65.147%0.46534%0.34SS..Hα-helixtrans-70.8-40.7175.5-69.9175.7-175.8177.90111.1Q115 G116 S117 D118 S123 L124Q115-K120 HydrophobicContact CG-CG 3.88Å; G116-K120 WeakPolarHBondContact O-CG 3.34Å; G116-K120 PolarHBondContact O-N 3.08Å; S117-K120 WeakPolarHBondContact O-CA 3.31Å; S117-K120 WeakPolarHBondContact O-CB 3.45Å; S117-K120 PolarHBondContact O-N 3.46Å; D118-K120 VanDerWaalsContact C-N 3.32Å; D118-K120 PolarHBondContact O-N 2.84Å; K120-S123 VanDerWaalsContact O-CB 3.3Å; K120-S123 WeakPolarHBondContact O-CB 3.38Å; K120-S123 PolarHBondContact O-N 3.45Å; K120-S123 VanDerWaalsContact O-N 3.16Å; K120-L124 WeakPolarHBondContact O-CG 3.17Å; K120-L124 PolarHBondContact O-N 2.84Å
121D94.3Very high91.1Very high79 Ų7962.8 Ų62.842%0.42233%0.331SS..Hα-helixtrans-63.5-45.7177.8-63.6-21000110.2S117 D118 S123 L124 M125S117-D121 PolarHBondContact O-N 2.81Å; D118-D121 PolarHBondContact O-N 2.84Å; D121-S123 VanDerWaalsContact C-N 3.29Å; D121-S123 PolarHBondContact O-N 3.34Å; D121-L124 WeakPolarHBondContact O-CB 3.4Å; D121-L124 PolarHBondContact O-N 3.46Å; D121-L124 VanDerWaalsContact O-N 3.13Å; D121-M125 HydrophobicContact CB-CE 4.21Å; D121-M125 WeakPolarHBondContact O-CG 3.4Å; D121-M125 PolarHBondContact O-N 3.47Å
122L94.1Very high91.7Very high36 Ų3664 Ų6419%0.18833%0.333CS..Hα-helixtrans-61.6-36.3173-70.3170.6000112.8M100 F102 D118 L124 M125 L126 L158M100-L122 HydrophobicContact CE-CD1 4.2Å; M100-L122 HydrophobicContact SD-CB 3.65Å; M100-L122 HydrophobicContact SD-CD1 4.23Å; M100-L122 HydrophobicContact SD-CG 4.45Å; F102-L122 HydrophobicContact CE2-CD1 3.63Å; F102-L122 HydrophobicContact CZ-CD1 3.75Å; D118-L122 WeakPolarHBondContact O-CB 3.46Å; D118-L122 VanDerWaalsContact O-CG 3.27Å; D118-L122 WeakPolarHBondContact O-CG 3.3Å; D118-L122 PolarHBondContact O-N 3.37Å; L122-L124 VanDerWaalsContact C-N 3.34Å; L122-M125 HydrophobicContact CD2-SD 4.16Å; L122-M125 PolarHBondContact O-N 2.81Å; L122-L126 VanDerWaalsContact O-CB 3.31Å; L122-L126 WeakPolarHBondContact O-CB 3.4Å; L122-L126 PolarHBondContact O-N 2.9Å; L122-L158 HydrophobicContact CD2-CB 4.12Å; L122-L158 HydrophobicContact CD2-CD1 4.13Å; L122-L158 HydrophobicContact CD2-CD2 4.28Å; L122-L158 HydrophobicContact CD2-CG 4.41Å
123S95.6Very high92.1Very high7 Ų760.3 Ų60.35%0.04931%0.307CS..Hα-helixtrans-63-41.1174.6-59.30000111.5T98 M100 Q115 E119 K120 D121 L126 L127T98-S123 WeakPolarHBondContact O-CB 3.24Å; T98-S123 PolarHBondContact OG1-O 2.85Å; M100-S123 WeakPolarHBondContact CB-OG 3.21Å; M100-S123 PolarHBondContact N-OG 2.82Å; M100-S123 PolarHBondContact O-OG 3.16Å; Q115-S123 PolarHBondContact NE2-OG 3.06Å; E119-S123 WeakPolarHBondContact O-CB 3.22Å; E119-S123 PolarHBondContact O-N 2.95Å; E119-S123 PolarHBondContact O-OG 3.41Å; K120-S123 VanDerWaalsContact O-CB 3.3Å; K120-S123 WeakPolarHBondContact O-CB 3.38Å; K120-S123 PolarHBondContact O-N 3.45Å; K120-S123 VanDerWaalsContact O-N 3.16Å; D121-S123 VanDerWaalsContact C-N 3.29Å; D121-S123 PolarHBondContact O-N 3.34Å; S123-L126 PolarHBondContact O-N 3.33Å; S123-L127 PolarHBondContact O-N 2.88Å
124L95.4Very high92.8Very high99 Ų9954.4 Ų54.452%0.51829%0.285SS..Hα-helixtrans-67.8-43.6176-69.2172.1000111.7K120 D121 L122 L126 L127 E128K120-L124 WeakPolarHBondContact O-CG 3.17Å; K120-L124 PolarHBondContact O-N 2.84Å; D121-L124 WeakPolarHBondContact O-CB 3.4Å; D121-L124 PolarHBondContact O-N 3.46Å; D121-L124 VanDerWaalsContact O-N 3.13Å; L122-L124 VanDerWaalsContact C-N 3.34Å; L124-L126 VanDerWaalsContact C-N 3.26Å; L124-L126 PolarHBondContact O-N 2.93Å; L124-L127 VanDerWaalsContact O-CB 3.29Å; L124-L127 WeakPolarHBondContact O-CB 3.44Å; L124-L127 PolarHBondContact O-N 2.83Å; L124-L127 VanDerWaalsContact O-N 3.13Å; L124-E128 WeakPolarHBondContact O-CG 3.27Å; L124-E128 PolarHBondContact O-N 3.04Å
125M95.4Very high93.2Very high37 Ų3750.3 Ų50.318%0.18226%0.264CS..Hα-helixtrans-60-39.3175.7-66.4171.9-159.700111.7D121 L122 S129 L158 Q232D121-M125 HydrophobicContact CB-CE 4.21Å; D121-M125 WeakPolarHBondContact O-CG 3.4Å; D121-M125 PolarHBondContact O-N 3.47Å; L122-M125 HydrophobicContact CD2-SD 4.16Å; L122-M125 PolarHBondContact O-N 2.81Å; M125-S129 VanDerWaalsContact O-CB 3.26Å; M125-S129 WeakPolarHBondContact O-CB 3.24Å; M125-S129 PolarHBondContact O-N 3.14Å; M125-S129 PolarHBondContact O-OG 3.1Å; M125-L158 HydrophobicContact CB-CD1 4.03Å; M125-L158 HydrophobicContact CB-CD2 4.08Å; M125-L158 HydrophobicContact SD-CD2 3.74Å; M125-Q232 VanDerWaalsContact CE-CD 3.48Å; M125-Q232 HydrophobicContact CE-CG 4.27Å; M125-Q232 HydrophobicContact SD-CB 4.44Å; M125-Q232 VanDerWaalsContact SD-CD 3.59Å; M125-Q232 HydrophobicContact SD-CG 3.86Å
126L96.1Very high93.6Very high1 Ų149.4 Ų49.41%0.00526%0.261CS..Hα-helixtrans-67.5-39.6176.4-166.3150.5000111.3T98 L122 S123 L124 S129 L130 V148 L158 A161 V162 A165T98-L126 HydrophobicContact CG2-CD2 3.69Å; L122-L126 VanDerWaalsContact O-CB 3.31Å; L122-L126 WeakPolarHBondContact O-CB 3.4Å; L122-L126 PolarHBondContact O-N 2.9Å; S123-L126 PolarHBondContact O-N 3.33Å; L124-L126 VanDerWaalsContact C-N 3.26Å; L124-L126 PolarHBondContact O-N 2.93Å; L126-S129 PolarHBondContact O-N 2.82Å; L126-L130 HydrophobicContact CD2-CD1 3.4Å; L126-L130 VanDerWaalsContact CD2-CD1 3.4Å; L126-L130 HydrophobicContact CD2-CG 4.22Å; L126-L130 HydrophobicContact CG-CD1 4.32Å; L126-L130 WeakPolarHBondContact O-CG 3.34Å; L126-L130 PolarHBondContact O-N 3.41Å; L126-V148 HydrophobicContact CD1-CG2 3.89Å; L126-L158 HydrophobicContact CB-CD1 4.48Å; L126-A161 HydrophobicContact CD1-CB 3.7Å; L126-V162 HydrophobicContact CG-CG2 4.36Å; L126-A165 HydrophobicContact CD2-CB 4.28Å
127L96Very high93.8Very high38 Ų3854.9 Ų54.920%0.19928%0.277CS..Hα-helixtrans-58.4-51.3173.8-172.5126.8000111.5L96 T98 S123 L124 S129 L130 R131L96-L127 VanDerWaalsContact O-CD1 3.23Å; L96-L127 WeakPolarHBondContact O-CD1 3.45Å; T98-L127 HydrophobicContact CG2-CB 4.27Å; T98-L127 HydrophobicContact CG2-CD1 4.44Å; T98-L127 WeakPolarHBondContact OG1-CA 3.5Å; T98-L127 VanDerWaalsContact OG1-CB 3.24Å; T98-L127 WeakPolarHBondContact OG1-CB 3.37Å; T98-L127 PolarHBondContact OG1-N 2.71Å; S123-L127 PolarHBondContact O-N 2.88Å; L124-L127 VanDerWaalsContact O-CB 3.29Å; L124-L127 WeakPolarHBondContact O-CB 3.44Å; L124-L127 PolarHBondContact O-N 2.83Å; L124-L127 VanDerWaalsContact O-N 3.13Å; L127-S129 VanDerWaalsContact C-N 3.28Å; L127-S129 PolarHBondContact O-N 2.9Å; L127-L130 PolarHBondContact O-N 3.47Å; L127-R131 WeakPolarHBondContact O-CB 3.32Å; L127-R131 PolarHBondContact O-N 2.67Å
128E95.3Very high93.8Very high125 Ų12557.1 Ų57.158%0.58428%0.277SS*.Hα-helixtrans-62-38.8179.8-70.3178.9174.300111.4L124 L130 P132L124-E128 WeakPolarHBondContact O-CG 3.27Å; L124-E128 PolarHBondContact O-N 3.04Å; E128-L130 VanDerWaalsContact C-N 3.35Å; E128-L130 PolarHBondContact O-N 2.89Å; E128-P132 VanDerWaalsContact O-CD 3.25Å; E128-P132 WeakPolarHBondContact O-CD 3.35Å
129S95.7Very high93.8Very high9 Ų953.3 Ų53.36%0.06325%0.254CS..Hα-helixtrans-70.8-22.6177.8-61.10000114.4M125 L126 L127 V180 S229M125-S129 VanDerWaalsContact O-CB 3.26Å; M125-S129 WeakPolarHBondContact O-CB 3.24Å; M125-S129 PolarHBondContact O-N 3.14Å; M125-S129 PolarHBondContact O-OG 3.1Å; L126-S129 PolarHBondContact O-N 2.82Å; L127-S129 VanDerWaalsContact C-N 3.28Å; L127-S129 PolarHBondContact O-N 2.9Å; S129-V180 WeakPolarHBondContact O-CG1 3.48Å; S129-S229 VanDerWaalsContact C-OG 3.24Å; S129-S229 WeakPolarHBondContact CA-OG 3.4Å; S129-S229 PolarHBondContact O-OG 2.87Å
130L95.4Very high93.7Very high1 Ų155.2 Ų55.21%0.00527%0.269CS..Hα-helixtrans-100.5-24.9179.6-69.1178.3000113L96 T98 L126 L127 E128 G133 V134 V162 A165 L169 V180L96-L130 HydrophobicContact CD2-CB 3.79Å; T98-L130 HydrophobicContact CG2-CD1 4.39Å; L126-L130 HydrophobicContact CD2-CD1 3.4Å; L126-L130 VanDerWaalsContact CD2-CD1 3.4Å; L126-L130 HydrophobicContact CD2-CG 4.22Å; L126-L130 HydrophobicContact CG-CD1 4.32Å; L126-L130 WeakPolarHBondContact O-CG 3.34Å; L126-L130 PolarHBondContact O-N 3.41Å; L127-L130 PolarHBondContact O-N 3.47Å; E128-L130 VanDerWaalsContact C-N 3.35Å; E128-L130 PolarHBondContact O-N 2.89Å; L130-G133 PolarHBondContact O-N 3.21Å; L130-G133 VanDerWaalsContact O-N 3.08Å; L130-V134 WeakPolarHBondContact O-CG2 3.17Å; L130-V134 PolarHBondContact O-N 3.44Å; L130-V162 HydrophobicContact CD2-CG1 4.37Å; L130-A165 HydrophobicContact CD1-CB 3.58Å; L130-A165 HydrophobicContact CD2-CB 4.4Å; L130-L169 HydrophobicContact CD1-CD1 4.2Å; L130-L169 HydrophobicContact CD2-CD1 4.35Å; L130-V180 HydrophobicContact CD2-CB 4.06Å; L130-V180 HydrophobicContact CD2-CG2 4.03Å
131R93.6Very high93.4Very high152 Ų15257.4 Ų57.457%0.57427%0.274SS*.THydrogen-bonded Turntrans-52.5-46.4-175.7-175.5174.5-1771452.2114.6L127 G133 L136L127-R131 WeakPolarHBondContact O-CB 3.32Å; L127-R131 PolarHBondContact O-N 2.67Å; R131-G133 VanDerWaalsContact C-N 3.32Å; R131-L136 HydrophobicContact CG-CD1 4.26Å
132P93.6Very high93.2Very high61 Ų6154.9 Ų54.940%0.39626%0.262SS..THydrogen-bonded Turntrans-78-17.6-17932.2-35.7000113E128 Y177 S229E128-P132 VanDerWaalsContact O-CD 3.25Å; E128-P132 WeakPolarHBondContact O-CD 3.35Å; P132-Y177 WeakPolarHBondContact O-CD2 3.39Å; P132-S229 VanDerWaalsContact CD-OG 3.3Å; P132-S229 WeakPolarHBondContact CD-OG 3.03Å; P132-S229 WeakPolarHBondContact CG-OG 3.38Å
133G92.4Very high93Very high0 Ų054.6 Ų54.60%026%0.26CS..THydrogen-bonded Turntrans-75.9-28.4174.700000113.3L130 R131 M176 Y177L130-G133 PolarHBondContact O-N 3.21Å; L130-G133 VanDerWaalsContact O-N 3.08Å; R131-G133 VanDerWaalsContact C-N 3.32Å; G133-M176 CarbonylContact O-C 3.59Å; G133-M176 WeakPolarHBondContact O-CA 3.33Å; G133-M176 VanDerWaalsContact O-CB 3.27Å; G133-M176 WeakPolarHBondContact O-CB 3.26Å; G133-Y177 PolarHBondContact O-N 3.42Å
134V94.7Very high93Very high5 Ų554.3 Ų54.33%0.0326%0.258CS..BIsolated β-bridgetrans-96.5134.2-172.6-178.50000112.5L130 L136 L169 I174 M176L130-V134 WeakPolarHBondContact O-CG2 3.17Å; L130-V134 PolarHBondContact O-N 3.44Å; V134-L136 VanDerWaalsContact C-N 3.26Å; V134-L136 HydrophobicContact CB-CD2 4.41Å; V134-L136 HydrophobicContact CB-CG 4.42Å; V134-L136 HydrophobicContact CG1-CD2 3.77Å; V134-L136 HydrophobicContact CG1-CG 4.16Å; V134-L136 PolarHBondContact O-N 2.86Å; V134-L169 HydrophobicContact CG2-CD1 3.75Å; V134-I174 HydrophobicContact CG1-CG2 3.94Å; V134-M176 HydrophobicContact CG2-CG 4.16Å; V134-M176 HydrophobicContact CG2-SD 4.17Å
135C93.6Very high93Very high8 Ų851.8 Ų51.85%0.05424%0.244CC..  trans-77.964.7177.9-66.20000112.5Q137 K138 E175 Y177C135-Q137 PolarHBondContact O-N 2.77Å; C135-Q137 VanDerWaalsContact O-N 3.11Å; C135-K138 HydrophobicContact CB-CD 4.25Å; C135-K138 HydrophobicContact CB-CG 4.41Å; C135-K138 PolarHBondContact O-N 2.86Å; C135-K138 VanDerWaalsContact O-N 3.14Å; C135-E175 HydrophobicContact CB-CB 4.18Å; C135-E175 WeakPolarHBondContact CB-O 3.16Å; C135-E175 PolarHBondContact N-O 3.17Å; C135-Y177 HydrophobicContact CB-CE2 4.43Å; C135-Y177 VanDerWaalsContact SG-CE2 3.53Å
136L91.2Very high93.1Very high22 Ų2250 Ų5012%0.11524%0.235CC..G310 helixtrans-59.8-25.7-175.3-65175.1000114.2G94 L96 R131 V134 K138 Y139 I144G94-L136 PolarHBondContact N-O 2.74Å; L96-L136 HydrophobicContact CB-CD1 4.43Å; L96-L136 HydrophobicContact CB-CD2 4.15Å; R131-L136 HydrophobicContact CG-CD1 4.26Å; V134-L136 VanDerWaalsContact C-N 3.26Å; V134-L136 HydrophobicContact CB-CD2 4.41Å; V134-L136 HydrophobicContact CB-CG 4.42Å; V134-L136 HydrophobicContact CG1-CD2 3.77Å; V134-L136 HydrophobicContact CG1-CG 4.16Å; V134-L136 PolarHBondContact O-N 2.86Å; L136-K138 PolarHBondContact O-N 2.86Å; L136-Y139 PolarHBondContact O-N 3.36Å; L136-Y139 VanDerWaalsContact O-N 3.16Å; L136-I144 HydrophobicContact CD2-CD1 4.46Å
137Q91.2Very high93.1Very high149 Ų14952.4 Ų52.470%0.69625%0.248SC*.G310 helixtrans-62-25.2178.4-65.6-179.1-13.200113.4C135 Y139C135-Q137 PolarHBondContact O-N 2.77Å; C135-Q137 VanDerWaalsContact O-N 3.11Å; Q137-Y139 VanDerWaalsContact C-N 3.27Å; Q137-Y139 PolarHBondContact O-N 2.98Å
138K90.8Very high93.1Very high126 Ų12650.7 Ų50.755%0.54824%0.239SC..G310 helixtrans-79.7-11.3-179.9-64.6-173.1178.6-169.30113.5C135 L136 P140 E175C135-K138 HydrophobicContact CB-CD 4.25Å; C135-K138 HydrophobicContact CB-CG 4.41Å; C135-K138 PolarHBondContact O-N 2.86Å; C135-K138 VanDerWaalsContact O-N 3.14Å; L136-K138 PolarHBondContact O-N 2.86Å; K138-P140 VanDerWaalsContact O-CD 3.31Å; K138-P140 WeakPolarHBondContact O-CD 3.38Å; K138-E175 HydrophobicContact CD-CB 4.47Å; K138-E175 WeakPolarHBondContact CD-OE2 3.36Å; K138-E175 VanDerWaalsContact CE-OE2 3.22Å; K138-E175 WeakPolarHBondContact CE-OE2 3.26Å; K138-E175 IonicContact NZ-OE2 3.77Å; K138-E175 PolarHBondContact NZ-OE2 3.04Å
139Y90.3Very high93.1Very high34 Ų3448.3 Ų48.313%0.13323%0.229CC..SBendtrans-12159.4-175.1-56.7-73000111.9P80 G94 L136 Q137 S142 I144 I174 E175P80-Y139 HydrophobicContact CB-CD1 4.27Å; P80-Y139 HydrophobicContact CG-CD1 4.13Å; P80-Y139 HydrophobicContact CG-CE1 4.29Å; G94-Y139 WeakPolarHBondContact CA-O 3.44Å; G94-Y139 PolarHBondContact N-O 3.49Å; G94-Y139 VanDerWaalsContact N-O 3.13Å; L136-Y139 PolarHBondContact O-N 3.36Å; L136-Y139 VanDerWaalsContact O-N 3.16Å; Q137-Y139 VanDerWaalsContact C-N 3.27Å; Q137-Y139 PolarHBondContact O-N 2.98Å; Y139-S142 WeakPolarHBondContact O-CB 3.29Å; Y139-S142 PolarHBondContact O-N 3.43Å; Y139-I144 HydrophobicContact CD2-CD1 4.23Å; Y139-I174 HydrophobicContact CE2-CG2 3.99Å; Y139-E175 HydrophobicContact CE2-CB 4.35Å; Y139-E175 WeakPolarHBondContact OH-CG 3.41Å; Y139-E175 PolarHBondContact OH-N 2.77Å
140P89.1Confident93.1Very high64 Ų6447.9 Ų47.942%0.41623%0.226SC..THydrogen-bonded Turntrans-60.9147.2177.328.8-35.2000110.8K138 S142K138-P140 VanDerWaalsContact O-CD 3.31Å; K138-P140 WeakPolarHBondContact O-CD 3.38Å; P140-S142 PolarHBondContact O-N 3.07Å; P140-S142 PolarHBondContact O-OG 3.02Å
141R86.9Confident93.1Very high153 Ų15350.1 Ų50.158%0.57724%0.237SC*.THydrogen-bonded Turntrans56.515.2-179.5-53.3179.9-178.3176.80.1115.1T83 D90T83-R141 PolarHBondContact N-O 3.38Å; T83-R141 VanDerWaalsContact N-O 3.14Å; D90-R141 WeakPolarHBondContact O-CA 3.41Å; D90-R141 PolarHBondContact O-N 3.14Å
142S90.1Very high93.2Very high25 Ų2546.3 Ų46.318%0.17523%0.226CC..EExtended strand (participates in β ladder)trans-111.2142.5-178.7-58.10000110.5R81 G94 R95 Y139 P140R81-S142 CarbonylContact O-C 3.42Å; R81-S142 VanDerWaalsContact O-CA 3.26Å; R81-S142 WeakPolarHBondContact O-CA 3.38Å; G94-S142 CarbonylContact C-O 3.54Å; G94-S142 VanDerWaalsContact CA-O 3.29Å; G94-S142 WeakPolarHBondContact CA-O 3.49Å; R95-S142 PolarHBondContact N-O 3.47Å; Y139-S142 WeakPolarHBondContact O-CB 3.29Å; Y139-S142 PolarHBondContact O-N 3.43Å; P140-S142 PolarHBondContact O-N 3.07Å; P140-S142 PolarHBondContact O-OG 3.02Å
143Q91.7Very high93.1Very high30 Ų3044.8 Ų44.814%0.1421%0.214CC..EExtended strand (participates in β ladder)trans-110.1132.2172.8-175.1169.5-45.600109.8R81 T83 R95 I97 E145R81-Q143 PolarHBondContact N-O 3.27Å; R81-Q143 PolarHBondContact O-N 2.83Å; T83-Q143 WeakPolarHBondContact OG1-CB 3.35Å; R95-Q143 CarbonylContact O-C 3.59Å; R95-Q143 WeakPolarHBondContact O-CA 3.49Å; I97-Q143 VanDerWaalsContact CD1-CD 3.44Å; I97-Q143 HydrophobicContact CD1-CG 4.06Å; I97-Q143 HydrophobicContact CG1-CG 4.12Å; Q143-E145 HydrophobicContact CG-CG 4.1Å; Q143-E145 PolarHBondContact NE2-OE1 2.84Å
144I94.7Very high93Very high1 Ų146 Ų461%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-113.7119.2172.5-62.9163.2000106.5V77 P80 R95 L96 I97 L136 Y139 V146 L169 I174V77-I144 HydrophobicContact CG1-CG2 4.11Å; P80-I144 HydrophobicContact CB-CG1 4.48Å; R95-I144 PolarHBondContact O-N 3.08Å; L96-I144 HydrophobicContact CD1-CB 4.08Å; L96-I144 HydrophobicContact CD1-CG2 3.85Å; I97-I144 PolarHBondContact N-O 2.89Å; L136-I144 HydrophobicContact CD2-CD1 4.46Å; Y139-I144 HydrophobicContact CD2-CD1 4.23Å; I144-V146 HydrophobicContact CG2-CG2 4.34Å; I144-L169 HydrophobicContact CG2-CD2 3.99Å; I144-I174 HydrophobicContact CD1-CD1 4.14Å; I144-I174 HydrophobicContact CD1-CG2 3.99Å; I144-I174 HydrophobicContact CG1-CD1 4.26Å; I144-I174 HydrophobicContact CG2-CD1 3.6Å
145E95.1Very high92.7Very high47 Ų4745.7 Ų45.722%0.2222%0.219CC..EExtended strand (participates in β ladder)trans-105.3122.7178.9-62173.7170.900109.5V77 Y78 R81 I97 Q143V77-E145 WeakPolarHBondContact CA-O 3.33Å; Y78-E145 PolarHBondContact N-O 3.12Å; Y78-E145 PolarHBondContact O-N 3.22Å; R81-E145 IonicContact NH1-OE2 2.55Å; R81-E145 PolarHBondContact NH1-OE2 3.33Å; I97-E145 HydrophobicContact CB-CG 4.49Å; I97-E145 CarbonylContact O-C 3.54Å; I97-E145 WeakPolarHBondContact O-CA 3.29Å; Q143-E145 HydrophobicContact CG-CG 4.1Å; Q143-E145 PolarHBondContact NE2-OE1 2.84Å
146V96.8Very high92.6Very high0 Ų045.4 Ų45.40%022%0.218CC..EExtended strand (participates in β ladder)trans-112.4112.6176.9-174.70000108.2C75 V77 L96 I97 T98 D99 I144 V148 A165 L169C75-V146 VanDerWaalsContact SG-CG1 3.53Å; V77-V146 HydrophobicContact CG2-CG1 4.21Å; V77-V146 HydrophobicContact CG2-CG2 4.18Å; L96-V146 HydrophobicContact CD1-CG2 3.76Å; I97-V146 PolarHBondContact O-N 2.99Å; T98-V146 CarbonylContact C-O 3.58Å; T98-V146 VanDerWaalsContact CA-O 3.26Å; T98-V146 WeakPolarHBondContact CA-O 3.37Å; T98-V146 HydrophobicContact CG2-CB 4.02Å; T98-V146 HydrophobicContact CG2-CG2 4.3Å; D99-V146 PolarHBondContact N-O 3.13Å; I144-V146 HydrophobicContact CG2-CG2 4.34Å; V146-V148 HydrophobicContact CG1-CG2 4.44Å; V146-A165 HydrophobicContact CG1-CB 3.78Å; V146-L169 HydrophobicContact CG2-CD2 3.86Å; V146-L169 HydrophobicContact CG2-CG 4.42Å
147N96.6Very high92.7Very high50 Ų5045 Ų4527%0.26722%0.216SC..EExtended strand (participates in β ladder)trans-110.8115.5-178.2-65.4-19.4000109.3C75 C76 D99C75-N147 CarbonylContact C-O 3.56Å; C75-N147 WeakPolarHBondContact CA-O 3.47Å; C76-N147 PolarHBondContact N-O 2.94Å; C76-N147 PolarHBondContact O-N 3.43Å; D99-N147 CarbonylContact O-C 3.55Å; D99-N147 WeakPolarHBondContact O-CA 3.26Å
148V96.7Very high92.9Very high3 Ų338.6 Ų38.62%0.01819%0.186CC..EExtended strand (participates in β ladder)trans-105.6126.1176.8-1750000109.4C75 D99 M100 R101 L126 V146 A161 A165C75-V148 HydrophobicContact CB-CG2 4.19Å; D99-V148 PolarHBondContact O-N 3.23Å; M100-V148 HydrophobicContact CG-CB 4.49Å; R101-V148 PolarHBondContact N-O 3.41Å; L126-V148 HydrophobicContact CD1-CG2 3.89Å; V146-V148 HydrophobicContact CG1-CG2 4.44Å; V148-A161 HydrophobicContact CG1-CB 4.01Å; V148-A165 HydrophobicContact CG2-CB 4.37Å
149M95.8Very high93Very high75 Ų7532.6 Ų32.637%0.36916%0.16SC..EExtended strand (participates in β ladder)trans-112.7119.2174.1-176.165.264.200109.5I74 R101 A103 L151I74-M149 PolarHBondContact N-O 3.04Å; I74-M149 PolarHBondContact O-N 3.35Å; R101-M149 HydrophobicContact CB-CE 4.07Å; R101-M149 HydrophobicContact CB-SD 4.2Å; R101-M149 WeakPolarHBondContact O-CA 3.23Å; A103-M149 HydrophobicContact CB-SD 4.24Å; M149-L151 HydrophobicContact CG-CD2 4.21Å
150V95.9Very high93.3Very high0 Ų031.1 Ų31.10%016%0.155CC..EExtended strand (participates in β ladder)trans-83.3115.4173-174.30000108.5L73 M100 R101 F102 A103 S106 N153 V157L73-V150 HydrophobicContact CD2-CB 3.71Å; L73-V150 HydrophobicContact CD2-CG1 3.59Å; L73-V150 HydrophobicContact CD2-CG2 3.56Å; M100-V150 HydrophobicContact CE-CG2 3.66Å; R101-V150 PolarHBondContact O-N 2.91Å; F102-V150 HydrophobicContact CD1-CB 3.66Å; F102-V150 HydrophobicContact CD1-CG1 3.7Å; F102-V150 HydrophobicContact CD1-CG2 3.79Å; F102-V150 HydrophobicContact CD2-CG2 4.35Å; F102-V150 HydrophobicContact CE1-CB 4.04Å; F102-V150 HydrophobicContact CE1-CG1 3.87Å; F102-V150 HydrophobicContact CE1-CG2 3.76Å; F102-V150 HydrophobicContact CE2-CG2 4.33Å; F102-V150 HydrophobicContact CG-CB 4.11Å; F102-V150 HydrophobicContact CG-CG2 4.11Å; F102-V150 HydrophobicContact CZ-CG2 4.05Å; A103-V150 WeakPolarHBondContact CB-O 3.48Å; A103-V150 PolarHBondContact N-O 2.74Å; S106-V150 WeakPolarHBondContact CB-O 3.48Å; V150-N153 HydrophobicContact CG1-CB 4.24Å; V150-V157 HydrophobicContact CB-CG1 4.44Å; V150-V157 HydrophobicContact CG1-CG1 3.97Å; V150-V157 HydrophobicContact CG2-CG1 3.59Å
151L95.3Very high93.6Very high48 Ų4828.1 Ų28.125%0.25114%0.135SC..EExtended strand (participates in β ladder)trans-86.7-41.7178.3-62.6-180000111.8Y65 K72 I74 F105 S106 M149Y65-L151 HydrophobicContact CE2-CD1 4.4Å; K72-L151 HydrophobicContact CB-CB 4.13Å; K72-L151 WeakPolarHBondContact O-CB 3.48Å; K72-L151 PolarHBondContact O-N 2.88Å; I74-L151 HydrophobicContact CD1-CD1 3.68Å; I74-L151 HydrophobicContact CD1-CG 4.41Å; I74-L151 HydrophobicContact CG1-CD1 3.92Å; I74-L151 HydrophobicContact CG1-CG 4.47Å; F105-L151 WeakPolarHBondContact CE2-O 2.89Å; S106-L151 VanDerWaalsContact CA-O 3.22Å; S106-L151 WeakPolarHBondContact CA-O 3.44Å; S106-L151 VanDerWaalsContact CB-O 3.22Å; S106-L151 WeakPolarHBondContact CB-O 3.15Å; M149-L151 HydrophobicContact CG-CD2 4.21Å
152E94.9Very high94.1Very high71 Ų7120.9 Ų20.933%0.33211%0.108SC..EExtended strand (participates in β ladder)trans-142.9129.6-179.1-172171.9-179.300108.1N70 T71 K72N70-E152 WeakPolarHBondContact O-CB 3.3Å; N70-E152 WeakPolarHBondContact O-CG 3.37Å; T71-E152 WeakPolarHBondContact CA-O 3.32Å; K72-E152 HydrophobicContact CB-CB 4.16Å; K72-E152 HydrophobicContact CD-CB 4.46Å; K72-E152 HydrophobicContact CG-CB 4.49Å; K72-E152 PolarHBondContact N-O 3.07Å; K72-E152 IonicContact NZ-OE2 3.8Å; K72-E152 PolarHBondContact NZ-OE2 3.07Å; K72-E152 PolarHBondContact O-N 3.06Å
153N92.2Very high94.3Very high29 Ų2919.8 Ų19.816%0.15510%0.1CC..  trans-107.1110.3-178.91798.1000110.4S106 V150 G155 V157S106-N153 PolarHBondContact O-N 3.48Å; V150-N153 HydrophobicContact CG1-CB 4.24Å; N153-G155 PolarHBondContact OD1-N 3.24Å; N153-V157 HydrophobicContact CB-CG2 4.38Å; N153-V157 VanDerWaalsContact CG-CG2 3.49Å; N153-V157 WeakPolarHBondContact OD1-CG2 3.34Å
154D89.8Confident94.6Very high25 Ų2518.4 Ų18.413%0.1349%0.093CC..  trans-123.329.5172.4-165.932000111.6R48 N70 T71 T197 F198R48-D154 PolarHBondContact NH1-O 3.36Å; R48-D154 IonicContact NH1-OD2 2.73Å; N70-D154 HydrophobicContact CB-CB 3.75Å; N70-D154 WeakPolarHBondContact CB-OD2 3.41Å; N70-D154 PolarHBondContact ND2-OD2 3.27Å; T71-D154 VanDerWaalsContact OG1-C 3.25Å; T71-D154 WeakPolarHBondContact OG1-CA 3.46Å; T71-D154 WeakPolarHBondContact OG1-CB 3.48Å; T71-D154 PolarHBondContact OG1-N 3.29Å; D154-T197 CarbonylContact O-C 3.47Å; D154-T197 VanDerWaalsContact O-CA 3.25Å; D154-T197 WeakPolarHBondContact O-CA 3.36Å; D154-F198 VanDerWaalsContact C-N 3.31Å; D154-F198 PolarHBondContact O-N 3.31Å
155G88.7Confident94.7Very high0 Ų018.3 Ų18.30%09%0.093CC..SBendtrans95.4168.517700000115R48 T71 N153 V157 E201R48-G155 PolarHBondContact NH2-O 3.35Å; T71-G155 PolarHBondContact OG1-O 3.14Å; T71-G155 VanDerWaalsContact OG1-O 3.06Å; N153-G155 PolarHBondContact OD1-N 3.24Å; G155-V157 PolarHBondContact O-N 3.03Å; G155-E201 VanDerWaalsContact CA-OE2 3.22Å; G155-E201 WeakPolarHBondContact CA-OE2 3.44Å
156A90.8Very high94.7Very high2 Ų216.1 Ų16.12%0.0178%0.083CC..  trans52.731.9-177.700000114.3L158 A159 H160 D195 E201A156-L158 VanDerWaalsContact C-N 3.35Å; A156-L158 PolarHBondContact O-N 3.28Å; A156-A159 PolarHBondContact O-N 2.85Å; A156-H160 PolarHBondContact O-CD2 3.27Å; A156-H160 PolarHBondContact O-N 2.76Å; A156-H160 VanDerWaalsContact O-N 3.17Å; A156-D195 VanDerWaalsContact CB-OD1 3.31Å; A156-D195 WeakPolarHBondContact CB-OD1 2.93Å; A156-E201 WeakPolarHBondContact CA-OE1 3.45Å; A156-E201 PolarHBondContact N-OE1 3.26Å
157V93.5Very high94.6Very high13 Ų1316.2 Ų16.28%0.0798%0.084CC..Hα-helixtrans-61.2-41.9-168-166.10000112.2L73 M100 F102 V150 N153 G155 H160 A161L73-V157 HydrophobicContact CD2-CG1 4Å; M100-V157 HydrophobicContact CE-CB 4.16Å; M100-V157 HydrophobicContact CE-CG1 3.32Å; F102-V157 HydrophobicContact CE1-CG1 4.01Å; F102-V157 HydrophobicContact CE1-CG2 4.38Å; F102-V157 HydrophobicContact CZ-CG1 4.09Å; V150-V157 HydrophobicContact CB-CG1 4.44Å; V150-V157 HydrophobicContact CG1-CG1 3.97Å; V150-V157 HydrophobicContact CG2-CG1 3.59Å; N153-V157 HydrophobicContact CB-CG2 4.38Å; N153-V157 VanDerWaalsContact CG-CG2 3.49Å; N153-V157 WeakPolarHBondContact OD1-CG2 3.34Å; G155-V157 PolarHBondContact O-N 3.03Å; V157-H160 PolarHBondContact O-N 2.84Å; V157-A161 WeakPolarHBondContact O-CB 3.39Å; V157-A161 PolarHBondContact O-N 3.34Å
158L94.3Very high94.6Very high14 Ų1413.9 Ų13.97%0.0737%0.071CC..Hα-helixtrans-62.2-45.2-179.5-179.361.7000111.7L122 M125 L126 A156 A161 V162 T218 Q232L122-L158 HydrophobicContact CD2-CB 4.12Å; L122-L158 HydrophobicContact CD2-CD1 4.13Å; L122-L158 HydrophobicContact CD2-CD2 4.28Å; L122-L158 HydrophobicContact CD2-CG 4.41Å; M125-L158 HydrophobicContact CB-CD1 4.03Å; M125-L158 HydrophobicContact CB-CD2 4.08Å; M125-L158 HydrophobicContact SD-CD2 3.74Å; L126-L158 HydrophobicContact CB-CD1 4.48Å; A156-L158 VanDerWaalsContact C-N 3.35Å; A156-L158 PolarHBondContact O-N 3.28Å; L158-A161 PolarHBondContact O-N 3.42Å; L158-V162 HydrophobicContact CD1-CG2 4.48Å; L158-V162 WeakPolarHBondContact O-CG2 3.38Å; L158-V162 PolarHBondContact O-N 2.8Å; L158-T218 HydrophobicContact CB-CG2 4.24Å; L158-T218 HydrophobicContact CD2-CG2 3.94Å; L158-T218 HydrophobicContact CG-CG2 4.06Å; L158-Q232 HydrophobicContact CD2-CB 4.36Å
159A94.9Very high94.6Very high0 Ų013.7 Ų13.70%07%0.07CC..Hα-helixtrans-61.2-46.917800000112.4A156 A161 V162 T163 G182 S184 T218A156-A159 PolarHBondContact O-N 2.85Å; A159-A161 VanDerWaalsContact C-N 3.31Å; A159-A161 PolarHBondContact O-N 2.89Å; A159-V162 PolarHBondContact O-N 2.8Å; A159-T163 PolarHBondContact O-N 2.84Å; A159-T163 VanDerWaalsContact O-N 3.14Å; A159-T163 PolarHBondContact O-OG1 3.27Å; A159-G182 VanDerWaalsContact CB-C 3.47Å; A159-G182 WeakPolarHBondContact O-CA 3.42Å; A159-S184 WeakPolarHBondContact CB-OG 3.34Å; A159-T218 HydrophobicContact CB-CG2 4.06Å
160H94.9Very high94.6Very high4 Ų412.5 Ų12.52%0.0197%0.067CC..Hα-helixtrans-67.4-34177.8-66.3-50.8000111.5A68 L73 A156 V157 T163 C164 D195A68-H160 VanDerWaalsContact CB-CE1 3.4Å; A68-H160 WeakPolarHBondContact CB-CE1 3.4Å; L73-H160 VanDerWaalsContact CD1-C 3.41Å; L73-H160 HydrophobicContact CD1-CB 3.47Å; L73-H160 VanDerWaalsContact CD1-CB 3.47Å; A156-H160 PolarHBondContact O-CD2 3.27Å; A156-H160 PolarHBondContact O-N 2.76Å; A156-H160 VanDerWaalsContact O-N 3.17Å; V157-H160 PolarHBondContact O-N 2.84Å; H160-T163 PolarHBondContact O-N 3.48Å; H160-C164 VanDerWaalsContact O-CB 3.27Å; H160-C164 WeakPolarHBondContact O-CB 3.42Å; H160-C164 PolarHBondContact O-N 2.9Å; H160-D195 IonicContact CE1-OD1 3.23Å; H160-D195 IonicContact NE2-OD1 3.65Å; H160-D195 PolarHBondContact NE2-OD1 3.21Å
161A96.5Very high94.5Very high0 Ų013.5 Ų13.50%07%0.072CC..Hα-helixtrans-66.7-45.2176.600000112.2L73 M100 L126 V148 V157 L158 A159 T163 C164 A165L73-A161 HydrophobicContact CD1-CB 4.15Å; L73-A161 VanDerWaalsContact CD1-N 3.34Å; M100-A161 HydrophobicContact CE-CB 4.11Å; M100-A161 HydrophobicContact SD-CB 4.22Å; L126-A161 HydrophobicContact CD1-CB 3.7Å; V148-A161 HydrophobicContact CG1-CB 4.01Å; V157-A161 WeakPolarHBondContact O-CB 3.39Å; V157-A161 PolarHBondContact O-N 3.34Å; L158-A161 PolarHBondContact O-N 3.42Å; A159-A161 VanDerWaalsContact C-N 3.31Å; A159-A161 PolarHBondContact O-N 2.89Å; A161-T163 VanDerWaalsContact C-N 3.32Å; A161-T163 PolarHBondContact O-N 2.7Å; A161-C164 PolarHBondContact O-N 2.81Å; A161-A165 VanDerWaalsContact O-CB 3.24Å; A161-A165 WeakPolarHBondContact O-CB 3.3Å; A161-A165 PolarHBondContact O-N 2.78Å
162V96.5Very high94.4Very high2 Ų211.5 Ų11.51%0.0126%0.063CC..Hα-helixtrans-58.5-46.9174.7169.90000110.6L126 L130 L158 A159 A165 S166 V180 A220L126-V162 HydrophobicContact CG-CG2 4.36Å; L130-V162 HydrophobicContact CD2-CG1 4.37Å; L158-V162 HydrophobicContact CD1-CG2 4.48Å; L158-V162 WeakPolarHBondContact O-CG2 3.38Å; L158-V162 PolarHBondContact O-N 2.8Å; A159-V162 PolarHBondContact O-N 2.8Å; V162-A165 PolarHBondContact O-N 3.17Å; V162-S166 PolarHBondContact O-N 2.93Å; V162-V180 HydrophobicContact CG1-CB 4.01Å; V162-V180 HydrophobicContact CG1-CG1 3.37Å; V162-A220 HydrophobicContact CG1-CB 4.13Å
163T95.8Very high94.4Very high2 Ų210.9 Ų10.91%0.0128%0.075CC..Hα-helixtrans-61.9-47178.6-54.20000111.4I66 A159 H160 A161 A165 S166 M167 L181 G182 I260I66-T163 HydrophobicContact CD1-CG2 4.13Å; A159-T163 PolarHBondContact O-N 2.84Å; A159-T163 VanDerWaalsContact O-N 3.14Å; A159-T163 PolarHBondContact O-OG1 3.27Å; H160-T163 PolarHBondContact O-N 3.48Å; A161-T163 VanDerWaalsContact C-N 3.32Å; A161-T163 PolarHBondContact O-N 2.7Å; T163-A165 VanDerWaalsContact C-N 3.34Å; T163-A165 PolarHBondContact O-N 3.43Å; T163-S166 PolarHBondContact O-N 2.77Å; T163-M167 WeakPolarHBondContact O-CG 3.39Å; T163-M167 PolarHBondContact O-N 3.47Å; T163-M167 VanDerWaalsContact O-N 3.14Å; T163-L181 HydrophobicContact CG2-CD2 4.14Å; T163-G182 PolarHBondContact OG1-N 3.08Å; T163-I260 HydrophobicContact CG2-CD1 3.36Å; T163-I260 HydrophobicContact CG2-CG1 4.32Å
164C96.2Very high94.5Very high0 Ų09.9 Ų9.90%07%0.069CC..Hα-helixtrans-61.1-43.5177.5-164.50000112A64 I66 C75 H160 A161 M167 A168A64-C164 WeakPolarHBondContact CB-O 3.42Å; A64-C164 PolarHBondContact O-SG 2.79Å; I66-C164 HydrophobicContact CB-CB 4.39Å; I66-C164 HydrophobicContact CG2-CB 3.62Å; C75-C164 HydrophobicContact CB-CB 4.21Å; C75-C164 WeakPolarHBondContact CB-SG 3.3Å; H160-C164 VanDerWaalsContact O-CB 3.27Å; H160-C164 WeakPolarHBondContact O-CB 3.42Å; H160-C164 PolarHBondContact O-N 2.9Å; A161-C164 PolarHBondContact O-N 2.81Å; C164-M167 PolarHBondContact O-N 3.26Å; C164-A168 PolarHBondContact O-N 3.27Å
165A96.7Very high94.7Very high0 Ų012.8 Ų12.80%08%0.082CC..Hα-helixtrans-64.7-44179.300000112.2L126 L130 V146 V148 A161 V162 T163 M167 A168 L169L126-A165 HydrophobicContact CD2-CB 4.28Å; L130-A165 HydrophobicContact CD1-CB 3.58Å; L130-A165 HydrophobicContact CD2-CB 4.4Å; V146-A165 HydrophobicContact CG1-CB 3.78Å; V148-A165 HydrophobicContact CG2-CB 4.37Å; A161-A165 VanDerWaalsContact O-CB 3.24Å; A161-A165 WeakPolarHBondContact O-CB 3.3Å; A161-A165 PolarHBondContact O-N 2.78Å; V162-A165 PolarHBondContact O-N 3.17Å; T163-A165 VanDerWaalsContact C-N 3.34Å; T163-A165 PolarHBondContact O-N 3.43Å; A165-M167 VanDerWaalsContact C-N 3.28Å; A165-M167 PolarHBondContact O-N 2.95Å; A165-A168 PolarHBondContact O-N 2.84Å; A165-L169 WeakPolarHBondContact O-CG 3.19Å; A165-L169 PolarHBondContact O-N 2.82Å
166S96.1Very high95Very high1 Ų114.6 Ų14.61%0.0079%0.091CC..Hα-helixtrans-57.1-44.8174.2-1750000111.1V162 T163 A168 L169 V170 V180V162-S166 PolarHBondContact O-N 2.93Å; T163-S166 PolarHBondContact O-N 2.77Å; S166-A168 PolarHBondContact O-N 2.86Å; S166-L169 WeakPolarHBondContact O-CB 3.24Å; S166-L169 PolarHBondContact O-N 2.75Å; S166-V170 WeakPolarHBondContact O-CG2 3.2Å; S166-V170 PolarHBondContact O-N 2.87Å; S166-V180 VanDerWaalsContact CB-O 3.29Å; S166-V180 WeakPolarHBondContact CB-O 3.46Å; S166-V180 PolarHBondContact OG-N 3.48Å
167M95.4Very high95.2Very high2 Ų221.1 Ų21.11%0.0112%0.116CC..Hα-helixtrans-65.4-36.6177.9-67.2-167.174.200113.9V52 C54 A64 T163 C164 A165 L169 V170 D171 I260 A263 L264V52-M167 HydrophobicContact CB-SD 4.37Å; V52-M167 HydrophobicContact CG1-CE 3.1Å; V52-M167 HydrophobicContact CG1-SD 3.17Å; V52-M167 WeakPolarHBondContact CG1-SD 3.43Å; V52-M167 HydrophobicContact CG2-SD 4.28Å; C54-M167 WeakPolarHBondContact SG-CE 3.47Å; A64-M167 HydrophobicContact CB-CB 3.89Å; T163-M167 WeakPolarHBondContact O-CG 3.39Å; T163-M167 PolarHBondContact O-N 3.47Å; T163-M167 VanDerWaalsContact O-N 3.14Å; C164-M167 PolarHBondContact O-N 3.26Å; A165-M167 VanDerWaalsContact C-N 3.28Å; A165-M167 PolarHBondContact O-N 2.95Å; M167-L169 VanDerWaalsContact C-N 3.33Å; M167-V170 PolarHBondContact O-N 2.92Å; M167-D171 WeakPolarHBondContact O-CB 3.31Å; M167-D171 PolarHBondContact O-N 3.45Å; M167-I260 HydrophobicContact CE-CG2 3.94Å; M167-I260 HydrophobicContact CG-CG2 3.98Å; M167-I260 HydrophobicContact SD-CB 4.45Å; M167-I260 HydrophobicContact SD-CG1 4.18Å; M167-I260 HydrophobicContact SD-CG2 3.75Å; M167-A263 HydrophobicContact CE-CB 4Å; M167-L264 HydrophobicContact CE-CD2 3.89Å; M167-L264 HydrophobicContact CE-CG 3.87Å
168A96.3Very high95.2Very high0 Ų021.1 Ų21.10%012%0.116CC..Hα-helixtrans-68.9-33.9175.800000111.8A64 C75 V77 C164 A165 S166 D171 A172A64-A168 HydrophobicContact CB-CB 3.93Å; C75-A168 HydrophobicContact CB-CB 4Å; V77-A168 HydrophobicContact CG2-CB 3.57Å; C164-A168 PolarHBondContact O-N 3.27Å; A165-A168 PolarHBondContact O-N 2.84Å; S166-A168 PolarHBondContact O-N 2.86Å; A168-D171 PolarHBondContact O-N 2.98Å; A168-A172 WeakPolarHBondContact O-CB 3.45Å; A168-A172 PolarHBondContact O-N 3.3Å
169L95.8Very high95.3Very high0 Ų021.5 Ų21.50%012%0.118CC..Hα-helixtrans-65.9-42.8173.6-70.3168.8000111.7V77 L130 V134 I144 V146 A165 S166 M167 D171 A172 G173 I174 M176V77-L169 HydrophobicContact CG1-CD2 3.98Å; V77-L169 HydrophobicContact CG2-CD2 4.03Å; V77-L169 HydrophobicContact CG2-CG 4.24Å; L130-L169 HydrophobicContact CD1-CD1 4.2Å; L130-L169 HydrophobicContact CD2-CD1 4.35Å; V134-L169 HydrophobicContact CG2-CD1 3.75Å; I144-L169 HydrophobicContact CG2-CD2 3.99Å; V146-L169 HydrophobicContact CG2-CD2 3.86Å; V146-L169 HydrophobicContact CG2-CG 4.42Å; A165-L169 WeakPolarHBondContact O-CG 3.19Å; A165-L169 PolarHBondContact O-N 2.82Å; S166-L169 WeakPolarHBondContact O-CB 3.24Å; S166-L169 PolarHBondContact O-N 2.75Å; M167-L169 VanDerWaalsContact C-N 3.33Å; L169-D171 VanDerWaalsContact C-N 3.34Å; L169-A172 PolarHBondContact O-N 3.46Å; L169-G173 PolarHBondContact O-N 3.46Å; L169-I174 HydrophobicContact CD2-CD1 3.59Å; L169-I174 PolarHBondContact O-N 3.46Å; L169-I174 VanDerWaalsContact O-N 3.12Å; L169-M176 HydrophobicContact CB-CE 4.18Å; L169-M176 HydrophobicContact CB-SD 3.59Å; L169-M176 VanDerWaalsContact CB-SD 3.59Å; L169-M176 HydrophobicContact CD1-SD 3.86Å; L169-M176 HydrophobicContact CG-SD 4.38Å
170V95.4Very high95.3Very high49 Ų4921.6 Ų21.630%0.29712%0.118SC..Hα-helixtrans-60.1-46.3172.4-176.70000110.7S166 M167 A172 G173 M176 L179 L264S166-V170 WeakPolarHBondContact O-CG2 3.2Å; S166-V170 PolarHBondContact O-N 2.87Å; M167-V170 PolarHBondContact O-N 2.92Å; V170-A172 PolarHBondContact O-N 3.24Å; V170-G173 WeakPolarHBondContact O-CA 3.44Å; V170-G173 PolarHBondContact O-N 3.05Å; V170-M176 HydrophobicContact CB-CE 4.29Å; V170-M176 HydrophobicContact CG2-CE 3.21Å; V170-L179 HydrophobicContact CG2-CD2 3.23Å; V170-L264 HydrophobicContact CB-CD2 4.01Å; V170-L264 HydrophobicContact CG1-CD1 4.38Å; V170-L264 HydrophobicContact CG1-CD2 3.81Å; V170-L264 HydrophobicContact CG2-CD1 4.35Å; V170-L264 HydrophobicContact CG2-CD2 4.42Å
171D94.4Very high95.4Very high22 Ų2221.4 Ų21.412%0.11812%0.118CC..Hα-helixtrans-63.9-32.1-177.5-17059.2000112.5C54 G55 G62 S63 M167 A168 L169 G173 K271C54-D171 HydrophobicContact CB-CB 4.16Å; G55-D171 WeakPolarHBondContact CA-OD2 2.9Å; G55-D171 PolarHBondContact N-OD2 3.43Å; G62-D171 WeakPolarHBondContact CA-OD2 3.43Å; S63-D171 PolarHBondContact N-OD2 3.37Å; S63-D171 VanDerWaalsContact N-OD2 3.11Å; M167-D171 WeakPolarHBondContact O-CB 3.31Å; M167-D171 PolarHBondContact O-N 3.45Å; A168-D171 PolarHBondContact O-N 2.98Å; L169-D171 VanDerWaalsContact C-N 3.34Å; D171-G173 PolarHBondContact O-N 2.87Å; D171-K271 VanDerWaalsContact CG-NZ 3.29Å; D171-K271 PolarHBondContact O-NZ 2.97Å; D171-K271 WeakPolarHBondContact OD1-CE 3.49Å; D171-K271 IonicContact OD1-NZ 2.64Å; D171-K271 PolarHBondContact OD1-NZ 2.91Å; D171-K271 IonicContact OD2-NZ 3.53Å
172A94.3Very high95.3Very high6 Ų621.5 Ų21.55%0.0512%0.118CC..THydrogen-bonded Turntrans-71.5-11.5172.500000113.7K61 V77 A168 L169 V170 I174K61-A172 HydrophobicContact CB-CB 4.47Å; K61-A172 WeakPolarHBondContact CE-O 3.22Å; K61-A172 HydrophobicContact CG-CB 4.38Å; V77-A172 HydrophobicContact CB-CB 4.24Å; V77-A172 HydrophobicContact CG1-CB 3.93Å; A168-A172 WeakPolarHBondContact O-CB 3.45Å; A168-A172 PolarHBondContact O-N 3.3Å; L169-A172 PolarHBondContact O-N 3.46Å; V170-A172 PolarHBondContact O-N 3.24Å; A172-I174 VanDerWaalsContact C-N 3.34Å; A172-I174 HydrophobicContact CB-CD1 3.96Å; A172-I174 HydrophobicContact CB-CG1 4.07Å
173G93.1Very high95.1Very high57 Ų5721.6 Ų21.659%0.58812%0.119SC*.THydrogen-bonded Turntrans70.329.5-174.800000113.1L169 V170 D171L169-G173 PolarHBondContact O-N 3.46Å; V170-G173 WeakPolarHBondContact O-CA 3.44Å; V170-G173 PolarHBondContact O-N 3.05Å; D171-G173 PolarHBondContact O-N 2.87Å
174I94.9Very high95Very high8 Ų821.6 Ų21.64%0.04112%0.119CC..  trans-80.2135174.2-66.6165.4000108.4V77 V134 Y139 I144 L169 A172 M176V77-I174 HydrophobicContact CG1-CD1 3.6Å; V134-I174 HydrophobicContact CG1-CG2 3.94Å; Y139-I174 HydrophobicContact CE2-CG2 3.99Å; I144-I174 HydrophobicContact CD1-CD1 4.14Å; I144-I174 HydrophobicContact CD1-CG2 3.99Å; I144-I174 HydrophobicContact CG1-CD1 4.26Å; I144-I174 HydrophobicContact CG2-CD1 3.6Å; L169-I174 HydrophobicContact CD2-CD1 3.59Å; L169-I174 PolarHBondContact O-N 3.46Å; L169-I174 VanDerWaalsContact O-N 3.12Å; A172-I174 VanDerWaalsContact C-N 3.34Å; A172-I174 HydrophobicContact CB-CD1 3.96Å; A172-I174 HydrophobicContact CB-CG1 4.07Å; I174-M176 PolarHBondContact O-N 3.2Å
175E94.2Very high94.8Very high86 Ų8621.7 Ų21.740%0.40212%0.12SC..  trans-71.4124.6-178.8-65.3-173.4-149.800111.4C135 K138 Y139C135-E175 HydrophobicContact CB-CB 4.18Å; C135-E175 WeakPolarHBondContact CB-O 3.16Å; C135-E175 PolarHBondContact N-O 3.17Å; K138-E175 HydrophobicContact CD-CB 4.47Å; K138-E175 WeakPolarHBondContact CD-OE2 3.36Å; K138-E175 VanDerWaalsContact CE-OE2 3.22Å; K138-E175 WeakPolarHBondContact CE-OE2 3.26Å; K138-E175 IonicContact NZ-OE2 3.77Å; K138-E175 PolarHBondContact NZ-OE2 3.04Å; Y139-E175 HydrophobicContact CE2-CB 4.35Å; Y139-E175 WeakPolarHBondContact OH-CG 3.41Å; Y139-E175 PolarHBondContact OH-N 2.77Å
176M94.6Very high94.4Very high38 Ų3823.3 Ų23.319%0.18713%0.126CC..BIsolated β-bridgetrans-128.5150.7179.1-61.5-164.9-59.300109.7G133 V134 L169 V170 I174 L179G133-M176 CarbonylContact O-C 3.59Å; G133-M176 WeakPolarHBondContact O-CA 3.33Å; G133-M176 VanDerWaalsContact O-CB 3.27Å; G133-M176 WeakPolarHBondContact O-CB 3.26Å; V134-M176 HydrophobicContact CG2-CG 4.16Å; V134-M176 HydrophobicContact CG2-SD 4.17Å; L169-M176 HydrophobicContact CB-CE 4.18Å; L169-M176 HydrophobicContact CB-SD 3.59Å; L169-M176 VanDerWaalsContact CB-SD 3.59Å; L169-M176 HydrophobicContact CD1-SD 3.86Å; L169-M176 HydrophobicContact CG-SD 4.38Å; V170-M176 HydrophobicContact CB-CE 4.29Å; V170-M176 HydrophobicContact CG2-CE 3.21Å; I174-M176 PolarHBondContact O-N 3.2Å; M176-L179 HydrophobicContact CE-CD2 3.93Å
177Y94.8Very high93.8Very high140 Ų14023.3 Ų23.355%0.54913%0.126SC..SBendtrans-71.6-40.9172.9-65.8-71.8000111.4P132 G133 C135P132-Y177 WeakPolarHBondContact O-CD2 3.39Å; G133-Y177 PolarHBondContact O-N 3.42Å; C135-Y177 HydrophobicContact CB-CE2 4.43Å; C135-Y177 VanDerWaalsContact SG-CE2 3.53Å
178D95.1Very high93Very high13 Ų1324.2 Ų24.27%0.0713%0.13CC..SBendtrans-158167.7-179-167.815000110.1L222 P223 S224 L225D178-L222 HydrophobicContact CB-CB 4.3Å; D178-L222 HydrophobicContact CB-CD2 3.76Å; D178-L222 WeakPolarHBondContact OD2-CA 3.23Å; D178-P223 WeakPolarHBondContact OD2-CD 3.38Å; D178-P223 VanDerWaalsContact OD2-N 3.1Å; D178-S224 VanDerWaalsContact CG-CB 3.43Å; D178-S224 WeakPolarHBondContact OD1-CB 3.35Å; D178-S224 PolarHBondContact OD1-OG 3.13Å; D178-S224 WeakPolarHBondContact OD2-CA 3.46Å; D178-S224 WeakPolarHBondContact OD2-CB 3.45Å; D178-S224 PolarHBondContact OD2-N 3.22Å; D178-S224 PolarHBondContact OD2-OG 3.4Å; D178-L225 HydrophobicContact CB-CD1 4.31Å; D178-L225 HydrophobicContact CB-CG 4.4Å; D178-L225 PolarHBondContact OD2-N 3.02Å
179L94.7Very high92.1Very high22 Ų2225.1 Ų25.112%0.11514%0.139CC..  trans-73.6143.3170.8-59.4-179.7000109.8V170 M176 P223 Y257 I260 L264V170-L179 HydrophobicContact CG2-CD2 3.23Å; M176-L179 HydrophobicContact CE-CD2 3.93Å; L179-P223 WeakPolarHBondContact O-CD 3.22Å; L179-Y257 HydrophobicContact CD1-CE2 4.07Å; L179-I260 HydrophobicContact CD1-CG2 4.08Å; L179-L264 HydrophobicContact CD1-CD1 3.64Å; L179-L264 HydrophobicContact CD2-CD1 4.1Å
180V95.9Very high91.1Very high1 Ų129.3 Ų29.31%0.00617%0.174CC..  trans-102.8119173.8-167.70000108.3S129 L130 V162 S166 A220 L222S129-V180 WeakPolarHBondContact O-CG1 3.48Å; L130-V180 HydrophobicContact CD2-CB 4.06Å; L130-V180 HydrophobicContact CD2-CG2 4.03Å; V162-V180 HydrophobicContact CG1-CB 4.01Å; V162-V180 HydrophobicContact CG1-CG1 3.37Å; S166-V180 VanDerWaalsContact CB-O 3.29Å; S166-V180 WeakPolarHBondContact CB-O 3.46Å; S166-V180 PolarHBondContact OG-N 3.48Å; V180-A220 HydrophobicContact CG1-CB 4Å; V180-L222 HydrophobicContact CG2-CD2 3.85Å
181L95.7Very high90.4Very high1 Ų129.9 Ų29.91%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-106.4134.5175.9-57.3-170.5000110T163 A220 F221 P223 C253 Y257 I260T163-L181 HydrophobicContact CG2-CD2 4.14Å; L181-A220 CarbonylContact O-C 3.53Å; L181-A220 WeakPolarHBondContact O-CA 3.37Å; L181-F221 PolarHBondContact N-O 3.41Å; L181-F221 PolarHBondContact O-N 2.81Å; L181-P223 HydrophobicContact CD1-CG 4.05Å; L181-P223 HydrophobicContact CG-CG 4.27Å; L181-C253 HydrophobicContact CB-CB 4.15Å; L181-C253 HydrophobicContact CD1-CB 4.3Å; L181-C253 VanDerWaalsContact CD1-O 3.22Å; L181-C253 WeakPolarHBondContact CD1-O 3.33Å; L181-Y257 HydrophobicContact CD1-CD2 3.93Å; L181-Y257 HydrophobicContact CD1-CG 4.3Å; L181-I260 HydrophobicContact CD2-CD1 3.22Å; L181-I260 HydrophobicContact CG-CD1 4.47Å
182G94.6Very high90Very high1 Ų131.2 Ų31.21%0.0118%0.181CC..EExtended strand (participates in β ladder)trans-102.6138.7172.500000111.4A159 T163 V219A159-G182 VanDerWaalsContact CB-C 3.47Å; A159-G182 WeakPolarHBondContact O-CA 3.42Å; T163-G182 PolarHBondContact OG1-N 3.08Å; G182-V219 CarbonylContact C-O 3.58Å; G182-V219 WeakPolarHBondContact CA-O 3.24Å
183C93.9Very high89.6Confident4 Ų431.1 Ų31.13%0.02718%0.179CC..EExtended strand (participates in β ladder)trans-135.8135.6166.9-172.60000109.6V219 C249 C253C183-V219 PolarHBondContact N-O 2.73Å; C183-V219 PolarHBondContact O-N 2.86Å; C183-C249 HydrophobicContact CB-CB 4.42Å; C183-C253 WeakPolarHBondContact CB-SG 3.27Å
184S93Very high89.4Confident3 Ų328.5 Ų28.52%0.02115%0.152CC..EExtended strand (participates in β ladder)trans-110.3145.2175.3-61.30000110.2A159 D195 P196 L217 T218A159-S184 WeakPolarHBondContact CB-OG 3.34Å; S184-D195 WeakPolarHBondContact O-CA 3.21Å; S184-D195 PolarHBondContact O-N 2.94Å; S184-P196 WeakPolarHBondContact O-CD 3.33Å; S184-L217 CarbonylContact C-O 3.58Å; S184-L217 VanDerWaalsContact CA-O 3.29Å; S184-L217 WeakPolarHBondContact CA-O 3.37Å; S184-T218 WeakPolarHBondContact OG-CG2 3.3Å; S184-T218 PolarHBondContact OG-OG1 2.72Å
185I91.4Very high89.1Confident2 Ų228.2 Ų28.21%0.0115%0.151CC..EExtended strand (participates in β ladder)trans-131.3143.5177-71.4-175000109.1Y192 L193 I194 S216 L217 G245 T248 C249I185-Y192 HydrophobicContact CG2-CD1 4.23Å; I185-Y192 HydrophobicContact CG2-CG 4.46Å; I185-L193 CarbonylContact C-O 3.45Å; I185-L193 VanDerWaalsContact CA-O 3.28Å; I185-L193 WeakPolarHBondContact CA-O 3.43Å; I185-I194 HydrophobicContact CD1-CG1 3.99Å; I185-I194 HydrophobicContact CG1-CB 4.43Å; I185-I194 HydrophobicContact CG1-CG1 4.06Å; I185-S216 CarbonylContact O-C 3.57Å; I185-S216 WeakPolarHBondContact O-CA 3.31Å; I185-L217 PolarHBondContact N-O 2.75Å; I185-L217 PolarHBondContact O-N 2.79Å; I185-G245 WeakPolarHBondContact CD1-O 3.44Å; I185-T248 HydrophobicContact CD1-CG2 3.67Å; I185-C249 HydrophobicContact CD1-CB 4.08Å; I185-C249 WeakPolarHBondContact CD1-SG 3.25Å; I185-C249 WeakPolarHBondContact CG1-SG 2.85Å
186R88.8Confident88.8Confident34 Ų3424.2 Ų24.213%0.12813%0.132CC..EExtended strand (participates in β ladder)trans-111.4130.9165.7-176.267.5175.9143.1-2.8109.3L193 P196 L214 G215R186-L193 HydrophobicContact CB-CB 4.33Å; R186-L193 PolarHBondContact N-O 3.01Å; R186-L193 WeakPolarHBondContact O-CB 3.28Å; R186-L193 PolarHBondContact O-N 3.13Å; R186-P196 HydrophobicContact CB-CB 3.85Å; R186-P196 HydrophobicContact CB-CG 4.04Å; R186-L214 PolarHBondContact NH1-O 3.07Å; R186-G215 WeakPolarHBondContact CD-O 3.38Å; R186-G215 PolarHBondContact NH1-O 3.4Å
187Q84.6Confident88.4Confident1 Ų122.6 Ų22.61%0.00512%0.124CC..EExtended strand (participates in β ladder)trans-88.5131.9171.8-173174.5-2.300110.2G189 Y192 N213 G215 M237 T241Q187-G189 WeakPolarHBondContact CG-O 3.17Å; Q187-G189 PolarHBondContact NE2-O 3.21Å; Q187-Y192 HydrophobicContact CB-CD1 4.4Å; Q187-Y192 HydrophobicContact CG-CD1 4.26Å; Q187-Y192 HydrophobicContact CG-CE1 4.14Å; Q187-N213 HydrophobicContact CG-CB 4.46Å; Q187-N213 WeakPolarHBondContact CG-O 3.22Å; Q187-G215 PolarHBondContact N-O 2.94Å; Q187-M237 HydrophobicContact CB-CE 4.27Å; Q187-T241 PolarHBondContact NE2-OG1 3.21Å
188E78.3Confident88Confident21 Ų2117.4 Ų17.410%0.09811%0.105CC..EExtended strand (participates in β ladder)trans-125.695171-167.8175.1-139.900107.5R42 A190 T191 L193 N205R42-E188 IonicContact CZ-OE2 2.7Å; R42-E188 VanDerWaalsContact CZ-OE2 3.31Å; R42-E188 IonicContact NH1-OE2 3.56Å; R42-E188 PolarHBondContact NH1-OE2 2.99Å; R42-E188 IonicContact NH2-OE2 3.27Å; R42-E188 PolarHBondContact NH2-OE2 2.9Å; E188-A190 PolarHBondContact O-N 3.2Å; E188-A190 VanDerWaalsContact O-N 3.16Å; E188-T191 PolarHBondContact N-O 2.88Å; E188-T191 PolarHBondContact O-N 2.98Å; E188-T191 PolarHBondContact O-OG1 2.94Å; E188-L193 HydrophobicContact CB-CD1 4.38Å; E188-N205 VanDerWaalsContact OE1-CB 3.31Å; E188-N205 WeakPolarHBondContact OE1-CB 3.46Å; E188-N205 PolarHBondContact OE1-ND2 2.86Å
189G77.1Confident87.4Confident18 Ų1820.8 Ų20.819%0.18612%0.122CC..THydrogen-bonded Turntrans61.5-113.4-175.500000112.1Q187Q187-G189 WeakPolarHBondContact CG-O 3.17Å; Q187-G189 PolarHBondContact NE2-O 3.21Å
190A74.2Confident86.8Confident89 Ų8920.5 Ų20.574%0.73612%0.121SC*.THydrogen-bonded Turntrans-91.1-5.2178.200000113.9E188E188-A190 PolarHBondContact O-N 3.2Å; E188-A190 VanDerWaalsContact O-N 3.16Å
191T81.7Confident86.1Confident60 Ų6023.1 Ų23.137%0.36813%0.133SC..EExtended strand (participates in β ladder)trans-108.2146.5-17460.50000112E188E188-T191 PolarHBondContact N-O 2.88Å; E188-T191 PolarHBondContact O-N 2.98Å; E188-T191 PolarHBondContact O-OG1 2.94Å
192Y84.3Confident85.2Confident50 Ų5027.8 Ų27.820%0.19616%0.158CC..EExtended strand (participates in β ladder)trans-105.7133.4175.6-52.5-66.2000110.6I185 Q187 T241I185-Y192 HydrophobicContact CG2-CD1 4.23Å; I185-Y192 HydrophobicContact CG2-CG 4.46Å; Q187-Y192 HydrophobicContact CB-CD1 4.4Å; Q187-Y192 HydrophobicContact CG-CD1 4.26Å; Q187-Y192 HydrophobicContact CG-CE1 4.14Å; Y192-T241 WeakPolarHBondContact CE1-O 3.36Å; Y192-T241 WeakPolarHBondContact OH-CA 3.22Å; Y192-T241 WeakPolarHBondContact OH-CB 3.36Å; Y192-T241 PolarHBondContact OH-O 2.67Å
193L86.4Confident83.8Confident4 Ų428.8 Ų28.82%0.02117%0.168CC..EExtended strand (participates in β ladder)trans-107.6107.3173.6-58.3174.6000108.2R42 I185 R186 E188R42-L193 HydrophobicContact CG-CD2 4.26Å; I185-L193 CarbonylContact C-O 3.45Å; I185-L193 VanDerWaalsContact CA-O 3.28Å; I185-L193 WeakPolarHBondContact CA-O 3.43Å; R186-L193 HydrophobicContact CB-CB 4.33Å; R186-L193 PolarHBondContact N-O 3.01Å; R186-L193 WeakPolarHBondContact O-CB 3.28Å; R186-L193 PolarHBondContact O-N 3.13Å; E188-L193 HydrophobicContact CB-CD1 4.38Å
194I88.6Confident81.7Confident2 Ų238.3 Ų38.31%0.0121%0.205CC..EExtended strand (participates in β ladder)trans-75.8137.9174.2-52.7-172.3000110.9R36 R40 V45 V47 I185 T248R36-I194 PolarHBondContact NH1-O 2.88Å; R40-I194 PolarHBondContact NH1-O 3.48Å; V45-I194 VanDerWaalsContact CA-CD1 3.45Å; V45-I194 HydrophobicContact CB-CD1 3.6Å; V45-I194 HydrophobicContact CG1-CD1 3.2Å; V45-I194 HydrophobicContact CG2-CD1 3.88Å; V47-I194 HydrophobicContact CG2-CG2 4.26Å; I185-I194 HydrophobicContact CD1-CG1 3.99Å; I185-I194 HydrophobicContact CG1-CB 4.43Å; I185-I194 HydrophobicContact CG1-CG1 4.06Å; I194-T248 HydrophobicContact CD1-CG2 3.4Å; I194-T248 HydrophobicContact CG1-CG2 3.73Å
195D88.7Confident79.6Confident3 Ų342 Ų422%0.01622%0.224CC..SBendtrans52.568.3176.6-170.630.3000111.4R40 V47 R48 A156 H160 S184R40-D195 PolarHBondContact NH1-O 3.13Å; R40-D195 PolarHBondContact NH2-O 3.39Å; V47-D195 HydrophobicContact CG1-CB 4.18Å; R48-D195 VanDerWaalsContact CB-OD2 3.24Å; R48-D195 WeakPolarHBondContact CB-OD2 3.43Å; R48-D195 WeakPolarHBondContact CG-OD2 3.38Å; R48-D195 IonicContact CZ-OD1 2.84Å; R48-D195 IonicContact CZ-OD2 3.93Å; R48-D195 PolarHBondContact N-OD2 2.92Å; R48-D195 VanDerWaalsContact N-OD2 3.13Å; R48-D195 IonicContact NE-OD1 3.8Å; R48-D195 PolarHBondContact NE-OD1 3.39Å; R48-D195 IonicContact NE-OD2 3.31Å; R48-D195 PolarHBondContact NE-OD2 2.63Å; R48-D195 IonicContact NH2-OD1 3.72Å; R48-D195 PolarHBondContact NH2-OD1 3Å; R48-D195 IonicContact NH2-OD2 3.32Å; A156-D195 VanDerWaalsContact CB-OD1 3.31Å; A156-D195 WeakPolarHBondContact CB-OD1 2.93Å; H160-D195 IonicContact CE1-OD1 3.23Å; H160-D195 IonicContact NE2-OD1 3.65Å; H160-D195 PolarHBondContact NE2-OD1 3.21Å; S184-D195 WeakPolarHBondContact O-CA 3.21Å; S184-D195 PolarHBondContact O-N 2.94Å
196P87.8Confident77.4Confident1 Ų148.7 Ų48.71%0.00626%0.259CS..  trans-69.8146.7-174.730.8-36.8000111.6R48 S184 R186 E200 E201R48-P196 PolarHBondContact NH2-O 3.41Å; S184-P196 WeakPolarHBondContact O-CD 3.33Å; R186-P196 HydrophobicContact CB-CB 3.85Å; R186-P196 HydrophobicContact CB-CG 4.04Å; P196-E200 WeakPolarHBondContact CA-OE2 3.43Å; P196-E200 HydrophobicContact CB-CB 4Å; P196-E201 HydrophobicContact CB-CG 3.92Å; P196-E201 HydrophobicContact CG-CG 3.71Å
197T88Confident75.3Confident5 Ų551.5 Ų51.53%0.03129%0.29CS..  trans-76.9163.6170.758.90000111.3D38 D154 L199 E200 E201D38-T197 WeakPolarHBondContact OD2-CG2 3.44Å; D154-T197 CarbonylContact O-C 3.47Å; D154-T197 VanDerWaalsContact O-CA 3.25Å; D154-T197 WeakPolarHBondContact O-CA 3.36Å; T197-L199 PolarHBondContact O-N 3.45Å; T197-L199 VanDerWaalsContact O-N 3.13Å; T197-E200 PolarHBondContact N-OE2 3.19Å; T197-E200 WeakPolarHBondContact O-CA 3.47Å; T197-E200 PolarHBondContact O-N 2.77Å; T197-E200 WeakPolarHBondContact OG1-CG 3.25Å; T197-E200 PolarHBondContact OG1-N 3.04Å; T197-E200 PolarHBondContact OG1-OE2 3.38Å; T197-E201 PolarHBondContact O-N 3.47Å
198F86.2Confident73.5Confident30 Ų3054.1 Ų54.113%0.13231%0.308CS..Hα-helixtrans-55.1-34.5175.5178.8-93.2000112.2R108 D154 E200 N202R108-F198 HydrophobicContact CG-CE1 4.29Å; D154-F198 VanDerWaalsContact C-N 3.31Å; D154-F198 PolarHBondContact O-N 3.31Å; F198-E200 VanDerWaalsContact C-N 3.34Å; F198-N202 HydrophobicContact CE1-CB 4.4Å; F198-N202 WeakPolarHBondContact CZ-ND2 3.5Å; F198-N202 WeakPolarHBondContact O-CB 3.22Å; F198-N202 PolarHBondContact O-N 2.9Å
199L82.6Confident71.8Confident85 Ų8557.3 Ų57.345%0.44535%0.347SS..Hα-helixtrans-71-27.1175.8-74.3178.8000113.4T197 G203T197-L199 PolarHBondContact O-N 3.45Å; T197-L199 VanDerWaalsContact O-N 3.13Å; L199-G203 WeakPolarHBondContact O-CA 3.28Å; L199-G203 PolarHBondContact O-N 2.93Å
200E81.2Confident70.5Confident16 Ų1659.7 Ų59.78%0.07536%0.36CS..Hα-helixtrans-84.8-31.8176.8-69.7168.2156.100111.3P196 T197 F198P196-E200 WeakPolarHBondContact CA-OE2 3.43Å; P196-E200 HydrophobicContact CB-CB 4Å; T197-E200 PolarHBondContact N-OE2 3.19Å; T197-E200 WeakPolarHBondContact O-CA 3.47Å; T197-E200 PolarHBondContact O-N 2.77Å; T197-E200 WeakPolarHBondContact OG1-CG 3.25Å; T197-E200 PolarHBondContact OG1-N 3.04Å; T197-E200 PolarHBondContact OG1-OE2 3.38Å; F198-E200 VanDerWaalsContact C-N 3.34Å
201E81.1Confident69.6Low56 Ų5665.5 Ų65.526%0.26236%0.363SS..Hα-helixtrans-70.5-52.2173.4-69.7-176.9161.700111.7G155 A156 P196 T197 G203G155-E201 VanDerWaalsContact CA-OE2 3.22Å; G155-E201 WeakPolarHBondContact CA-OE2 3.44Å; A156-E201 WeakPolarHBondContact CA-OE1 3.45Å; A156-E201 PolarHBondContact N-OE1 3.26Å; P196-E201 HydrophobicContact CB-CG 3.92Å; P196-E201 HydrophobicContact CG-CG 3.71Å; T197-E201 PolarHBondContact O-N 3.47Å; E201-G203 PolarHBondContact O-N 2.84Å
202N77.4Confident68.6Low99 Ų9969.2 Ų69.253%0.52938%0.376SS..SBendtrans-82.9-7.4177.5-67.936000112.4F198 Y204F198-N202 HydrophobicContact CE1-CB 4.4Å; F198-N202 WeakPolarHBondContact CZ-ND2 3.5Å; F198-N202 WeakPolarHBondContact O-CB 3.22Å; F198-N202 PolarHBondContact O-N 2.9Å; N202-Y204 PolarHBondContact O-N 2.91Å
203G65.4Low67.6Low22 Ų2269 Ų6923%0.22738%0.379CS..  trans-62.6102.9-173.900000112.7L199 E201 N205L199-G203 WeakPolarHBondContact O-CA 3.28Å; L199-G203 PolarHBondContact O-N 2.93Å; E201-G203 PolarHBondContact O-N 2.84Å; G203-N205 PolarHBondContact O-N 2.86Å
204Y50Low67.2Low204 Ų20472.3 Ų72.380%0.840%0.396SS*.  trans-62.471.5148.7-81.9-97.1000109.4N202 L206N202-Y204 PolarHBondContact O-N 2.91Å; Y204-L206 PolarHBondContact O-N 3.31Å
205N47.3Very low67Low81 Ų8172.2 Ų72.243%0.43340%0.396SS..  trans-70.870.7158.1-84.5-18.9000108.1E188 G203 A207E188-N205 VanDerWaalsContact OE1-CB 3.31Å; E188-N205 WeakPolarHBondContact OE1-CB 3.46Å; E188-N205 PolarHBondContact OE1-ND2 2.86Å; G203-N205 PolarHBondContact O-N 2.86Å; N205-A207 PolarHBondContact O-N 3Å
206L45.6Very low67Low141 Ų14173.6 Ų73.674%0.73841%0.406SS*.THydrogen-bonded Turntrans-73.337.4170.6-16378.1000110.5Y204Y204-L206 PolarHBondContact O-N 3.31Å
207A45Very low67.2Low93 Ų9373.6 Ų73.677%0.76941%0.406SS*.THydrogen-bonded Turntrans-117.3-31.2-17400000112.4N205N205-A207 PolarHBondContact O-N 3Å
208S46.8Very low67.5Low56 Ų5674.5 Ų74.539%0.39241%0.411SS..SBendtrans-86.6114.4162.945.50000107.5S210S208-S210 PolarHBondContact O-N 3.46Å
209G43.5Very low68Low88 Ų8873.1 Ų73.191%0.90741%0.405SS*.SBendtrans-59.18.5177.900000115.6R211G209-R211 PolarHBondContact O-N 2.8Å
210S49.9Very low68.7Low68 Ų6869.1 Ų69.148%0.47638%0.384SS..  trans-88.293.2172.1-51.90000108.9S208 E212S208-S210 PolarHBondContact O-N 3.46Å; S210-E212 PolarHBondContact O-N 3.16Å
211R54.3Low69.4Low211 Ų21168.4 Ų68.480%0.79638%0.381SS*.  trans-69.9-6.4167.5-95.9176.4152.6164.9-7.1113.2G209G209-R211 PolarHBondContact O-N 2.8Å
212E60.2Low70.1Confident138 Ų13865.9 Ų65.965%0.64537%0.369SS*.SBendtrans-91.8139.8-173.2-61.2174-177.700110.1S210S210-E212 PolarHBondContact O-N 3.16Å
213N63.2Low70.9Confident46 Ų4661.6 Ų61.625%0.24635%0.347CS..  trans67.556175.9-49.8-64.9000115.7Q187 E236Q187-N213 HydrophobicContact CG-CB 4.46Å; Q187-N213 WeakPolarHBondContact CG-O 3.22Å; N213-E236 CarbonylContact C-O 3.34Å; N213-E236 VanDerWaalsContact CA-O 3.26Å; N213-E236 WeakPolarHBondContact CA-O 3.35Å
214L78.8Confident72.2Confident74 Ų7464.2 Ų64.239%0.38736%0.362SS..  trans-102.675.9172.3-75.2162.8000110.3R186 E236R186-L214 PolarHBondContact NH1-O 3.07Å; L214-E236 CarbonylContact C-O 3.51Å; L214-E236 PolarHBondContact N-O 2.97Å; L214-E236 PolarHBondContact O-N 3.32Å
215G83.8Confident74.3Confident0 Ų058.5 Ų58.50%035%0.345CS..EExtended strand (participates in β ladder)trans-108.1149.2175.200000114.2R186 Q187 D234 E236R186-G215 WeakPolarHBondContact CD-O 3.38Å; R186-G215 PolarHBondContact NH1-O 3.4Å; Q187-G215 PolarHBondContact N-O 2.94Å; G215-D234 CarbonylContact C-O 3.49Å; G215-D234 WeakPolarHBondContact CA-O 3.46Å; G215-E236 PolarHBondContact N-O 3.36Å
216S89.6Confident76.6Confident32 Ų3259.8 Ų59.822%0.22435%0.351CS..EExtended strand (participates in β ladder)trans-113.8133.8165.246.70000108.8I185 S233 D234I185-S216 CarbonylContact O-C 3.57Å; I185-S216 WeakPolarHBondContact O-CA 3.31Å; S216-S233 WeakPolarHBondContact O-CA 3.43Å; S216-D234 PolarHBondContact N-O 3.43Å; S216-D234 PolarHBondContact O-N 2.63Å; S216-D234 PolarHBondContact OG-O 3.27Å
217L92.4Very high78.9Confident1 Ų158.3 Ų58.31%0.00534%0.341CS..EExtended strand (participates in β ladder)trans-124.8128.5-176.1-174.468.2000108.5S184 I185 V219 L231 Q232 M237 L242 V246S184-L217 CarbonylContact C-O 3.58Å; S184-L217 VanDerWaalsContact CA-O 3.29Å; S184-L217 WeakPolarHBondContact CA-O 3.37Å; I185-L217 PolarHBondContact N-O 2.75Å; I185-L217 PolarHBondContact O-N 2.79Å; L217-V219 HydrophobicContact CD2-CG2 4.25Å; L217-V219 HydrophobicContact CG-CG2 4.21Å; L217-L231 HydrophobicContact CD1-CD1 3.58Å; L217-L231 HydrophobicContact CD1-CG 4.14Å; L217-L231 HydrophobicContact CG-CD1 4.21Å; L217-Q232 CarbonylContact C-O 3.54Å; L217-Q232 WeakPolarHBondContact CA-O 3.3Å; L217-M237 HydrophobicContact CB-SD 4.38Å; L217-L242 HydrophobicContact CD1-CD1 3.59Å; L217-L242 HydrophobicContact CD2-CD1 4.17Å; L217-L242 HydrophobicContact CG-CD1 4.46Å; L217-V246 HydrophobicContact CD2-CG2 3.76Å
218T94.4Very high81.3Confident24 Ų2457.8 Ų57.815%0.14732%0.324CS..EExtended strand (participates in β ladder)trans-120.7126.3170.7-61.20000109.4L158 A159 S184 L231 Q232L158-T218 HydrophobicContact CB-CG2 4.24Å; L158-T218 HydrophobicContact CD2-CG2 3.94Å; L158-T218 HydrophobicContact CG-CG2 4.06Å; A159-T218 HydrophobicContact CB-CG2 4.06Å; S184-T218 WeakPolarHBondContact OG-CG2 3.3Å; S184-T218 PolarHBondContact OG-OG1 2.72Å; T218-L231 WeakPolarHBondContact O-CA 3.26Å; T218-Q232 PolarHBondContact N-O 2.79Å; T218-Q232 PolarHBondContact O-N 3.01Å
219V95.6Very high83.5Confident0 Ų056.1 Ų56.10%031%0.313CS..EExtended strand (participates in β ladder)trans-116.4129.1-179.2178.70000108.9G182 C183 L217 F221 I228 L231 C249G182-V219 CarbonylContact C-O 3.58Å; G182-V219 WeakPolarHBondContact CA-O 3.24Å; C183-V219 PolarHBondContact N-O 2.73Å; C183-V219 PolarHBondContact O-N 2.86Å; L217-V219 HydrophobicContact CD2-CG2 4.25Å; L217-V219 HydrophobicContact CG-CG2 4.21Å; V219-F221 HydrophobicContact CG1-CB 4.32Å; V219-I228 HydrophobicContact CG1-CG1 4.42Å; V219-I228 HydrophobicContact CG1-CG2 4.18Å; V219-L231 HydrophobicContact CB-CD1 4.49Å; V219-L231 HydrophobicContact CG2-CD1 3.51Å; V219-C249 HydrophobicContact CB-CB 3.8Å; V219-C249 HydrophobicContact CG1-CB 4.44Å; V219-C249 HydrophobicContact CG2-CB 3.53Å; V219-C249 VanDerWaalsContact CG2-SG 3.57Å
220A96.6Very high85.9Confident2 Ų252.7 Ų52.72%0.01728%0.277CS..EExtended strand (participates in β ladder)trans-99.812616400000109.2V162 V180 L181 S229 G230V162-A220 HydrophobicContact CG1-CB 4.13Å; V180-A220 HydrophobicContact CG1-CB 4Å; L181-A220 CarbonylContact O-C 3.53Å; L181-A220 WeakPolarHBondContact O-CA 3.37Å; A220-S229 PolarHBondContact O-N 3.13Å; A220-G230 PolarHBondContact N-O 2.95Å; A220-G230 PolarHBondContact O-N 3.35Å
221F96.4Very high88.1Confident0 Ų053.7 Ų53.70%028%0.277CS..EExtended strand (participates in β ladder)trans-134.1139.4-168.4-179.5-113.8000112.1L181 V219 P223 N226 Q227 I228 I250 C253 F254L181-F221 PolarHBondContact N-O 3.41Å; L181-F221 PolarHBondContact O-N 2.81Å; V219-F221 HydrophobicContact CG1-CB 4.32Å; F221-P223 HydrophobicContact CD1-CB 4.14Å; F221-P223 HydrophobicContact CE1-CB 3.89Å; F221-P223 WeakPolarHBondContact O-CD 3.35Å; F221-N226 VanDerWaalsContact CE2-OD1 3.3Å; F221-N226 WeakPolarHBondContact CE2-OD1 3.45Å; F221-N226 HydrophobicContact CZ-CB 4.34Å; F221-N226 WeakPolarHBondContact CZ-OD1 3.29Å; F221-Q227 WeakPolarHBondContact CD2-O 3.48Å; F221-I228 HydrophobicContact CD2-CG1 4.26Å; F221-I250 HydrophobicContact CD2-CG1 4.21Å; F221-I250 HydrophobicContact CE1-CG2 4.02Å; F221-I250 HydrophobicContact CE2-CG1 4.24Å; F221-I250 HydrophobicContact CE2-CG2 4.16Å; F221-I250 HydrophobicContact CZ-CG2 3.78Å; F221-C253 HydrophobicContact CB-CB 4.34Å; F221-C253 HydrophobicContact CD1-CB 3.78Å; F221-C253 HydrophobicContact CG-CB 4.47Å; F221-F254 HydrophobicContact CE1-CD2 4.34Å; F221-F254 HydrophobicContact CE1-CE1 4.25Å; F221-F254 AromaticContact CE1-CE2 3.79Å; F221-F254 HydrophobicContact CE1-CE2 3.79Å; F221-F254 AromaticContact CE1-CZ 3.73Å; F221-F254 HydrophobicContact CE1-CZ 3.73Å; F221-F254 AromaticContact CZ-CE2 3.92Å; F221-F254 HydrophobicContact CZ-CE2 3.92Å; F221-F254 AromaticContact CZ-CZ 3.85Å; F221-F254 HydrophobicContact CZ-CZ 3.85Å
222L96.2Very high89.9Confident3 Ų346.1 Ų46.12%0.01625%0.25CS..EExtended strand (participates in β ladder)trans-101.2100.1175-64.3147.6000107.9D178 V180 S224 L225 N226 Q227D178-L222 HydrophobicContact CB-CB 4.3Å; D178-L222 HydrophobicContact CB-CD2 3.76Å; D178-L222 WeakPolarHBondContact OD2-CA 3.23Å; V180-L222 HydrophobicContact CG2-CD2 3.85Å; L222-S224 PolarHBondContact O-N 2.91Å; L222-L225 HydrophobicContact CB-CB 4.32Å; L222-L225 PolarHBondContact O-N 2.82Å; L222-N226 WeakPolarHBondContact O-CA 3.29Å; L222-N226 PolarHBondContact O-N 3.17Å; L222-Q227 HydrophobicContact CB-CB 4.48Å; L222-Q227 WeakPolarHBondContact CB-O 3.4Å; L222-Q227 HydrophobicContact CD1-CB 4.13Å; L222-Q227 PolarHBondContact N-O 2.97Å; L222-Q227 PolarHBondContact O-N 3.42Å
223P94.3Very high91.4Very high10 Ų1042 Ų427%0.06524%0.237CC..THydrogen-bonded Turntrans-71-30.7-167.228.5-34000115D178 L179 L181 F221 F254 Y257D178-P223 WeakPolarHBondContact OD2-CD 3.38Å; D178-P223 VanDerWaalsContact OD2-N 3.1Å; L179-P223 WeakPolarHBondContact O-CD 3.22Å; L181-P223 HydrophobicContact CD1-CG 4.05Å; L181-P223 HydrophobicContact CG-CG 4.27Å; F221-P223 HydrophobicContact CD1-CB 4.14Å; F221-P223 HydrophobicContact CE1-CB 3.89Å; F221-P223 WeakPolarHBondContact O-CD 3.35Å; P223-F254 HydrophobicContact CB-CD1 4.47Å; P223-F254 HydrophobicContact CB-CE1 4.14Å; P223-Y257 HydrophobicContact CB-CD2 4.19Å; P223-Y257 HydrophobicContact CB-CE2 4.33Å; P223-Y257 HydrophobicContact CB-CG 4.29Å; P223-Y257 HydrophobicContact CG-CD2 3.51Å; P223-Y257 HydrophobicContact CG-CE2 3.45Å; P223-Y257 VanDerWaalsContact CG-CE2 3.45Å; P223-Y257 HydrophobicContact CG-CG 4.1Å
224S93.2Very high92.7Very high77 Ų7743.6 Ų43.654%0.53825%0.246SC..THydrogen-bonded Turntrans-76-36178.4-48.20000111.5D178 L222 Y257D178-S224 VanDerWaalsContact CG-CB 3.43Å; D178-S224 WeakPolarHBondContact OD1-CB 3.35Å; D178-S224 PolarHBondContact OD1-OG 3.13Å; D178-S224 WeakPolarHBondContact OD2-CA 3.46Å; D178-S224 WeakPolarHBondContact OD2-CB 3.45Å; D178-S224 PolarHBondContact OD2-N 3.22Å; D178-S224 PolarHBondContact OD2-OG 3.4Å; L222-S224 PolarHBondContact O-N 2.91Å; S224-Y257 PolarHBondContact OG-OH 3.1Å
225L93.3Very high93Very high84 Ų8443.2 Ų43.244%0.4426%0.259SS..THydrogen-bonded Turntrans-87.5-12.9177.9-65.3175.1000113.3D178 L222 Q227D178-L225 HydrophobicContact CB-CD1 4.31Å; D178-L225 HydrophobicContact CB-CG 4.4Å; D178-L225 PolarHBondContact OD2-N 3.02Å; L222-L225 HydrophobicContact CB-CB 4.32Å; L222-L225 PolarHBondContact O-N 2.82Å; L225-Q227 VanDerWaalsContact C-N 3.27Å; L225-Q227 HydrophobicContact CB-CB 4.3Å; L225-Q227 HydrophobicContact CB-CG 4.15Å; L225-Q227 PolarHBondContact O-N 2.88Å
226N94.8Very high93.1Very high107 Ų10749.2 Ų49.257%0.57229%0.287SS*.THydrogen-bonded Turntrans51.246.5-171-166.221.6000112.2F221 L222F221-N226 VanDerWaalsContact CE2-OD1 3.3Å; F221-N226 WeakPolarHBondContact CE2-OD1 3.45Å; F221-N226 HydrophobicContact CZ-CB 4.34Å; F221-N226 WeakPolarHBondContact CZ-OD1 3.29Å; L222-N226 WeakPolarHBondContact O-CA 3.29Å; L222-N226 PolarHBondContact O-N 3.17Å
227Q94.8Very high92.8Very high110 Ų11049.3 Ų49.351%0.51428%0.284SS..EExtended strand (participates in β ladder)trans-122.2138-177.7-73.6179.75.100111F221 L222 L225F221-Q227 WeakPolarHBondContact CD2-O 3.48Å; L222-Q227 HydrophobicContact CB-CB 4.48Å; L222-Q227 WeakPolarHBondContact CB-O 3.4Å; L222-Q227 HydrophobicContact CD1-CB 4.13Å; L222-Q227 PolarHBondContact N-O 2.97Å; L222-Q227 PolarHBondContact O-N 3.42Å; L225-Q227 VanDerWaalsContact C-N 3.27Å; L225-Q227 HydrophobicContact CB-CB 4.3Å; L225-Q227 HydrophobicContact CB-CG 4.15Å; L225-Q227 PolarHBondContact O-N 2.88Å
228I95.4Very high92.5Very high82 Ų8250.8 Ų50.842%0.42130%0.3SS..EExtended strand (participates in β ladder)trans-83.1124.4172.8-61.7170.3000107.7V219 F221 V246 I250V219-I228 HydrophobicContact CG1-CG1 4.42Å; V219-I228 HydrophobicContact CG1-CG2 4.18Å; F221-I228 HydrophobicContact CD2-CG1 4.26Å; I228-V246 HydrophobicContact CD1-CG1 3.68Å; I228-I250 HydrophobicContact CD1-CD1 4.45Å
229S93.9Very high92.3Very high22 Ų2257.3 Ų57.315%0.15433%0.329CS..EExtended strand (participates in β ladder)trans-85.6-37.6177.11790000112.5S129 P132 A220S129-S229 VanDerWaalsContact C-OG 3.24Å; S129-S229 WeakPolarHBondContact CA-OG 3.4Å; S129-S229 PolarHBondContact O-OG 2.87Å; P132-S229 VanDerWaalsContact CD-OG 3.3Å; P132-S229 WeakPolarHBondContact CD-OG 3.03Å; P132-S229 WeakPolarHBondContact CG-OG 3.38Å; A220-S229 PolarHBondContact O-N 3.13Å
230G93.9Very high92Very high16 Ų1664.2 Ų64.217%0.16537%0.366CS..EExtended strand (participates in β ladder)trans-158.7146-173.200000110.3A220A220-G230 PolarHBondContact N-O 2.95Å; A220-G230 PolarHBondContact O-N 3.35Å
231L94.3Very high91.5Very high89 Ų8965.5 Ų65.547%0.46637%0.373SS..EExtended strand (participates in β ladder)trans-139119.1-178.7-176.175000108.5L217 T218 V219 V246L217-L231 HydrophobicContact CD1-CD1 3.58Å; L217-L231 HydrophobicContact CD1-CG 4.14Å; L217-L231 HydrophobicContact CG-CD1 4.21Å; T218-L231 WeakPolarHBondContact O-CA 3.26Å; V219-L231 HydrophobicContact CB-CD1 4.49Å; V219-L231 HydrophobicContact CG2-CD1 3.51Å; L231-V246 HydrophobicContact CD1-CG2 4Å
232Q93.1Very high91.2Very high51 Ų5167.8 Ų67.824%0.23839%0.385CS..EExtended strand (participates in β ladder)trans-112.6124.5171.4-175.869.918.500108.2M125 L158 L217 T218 D234M125-Q232 VanDerWaalsContact CE-CD 3.48Å; M125-Q232 HydrophobicContact CE-CG 4.27Å; M125-Q232 HydrophobicContact SD-CB 4.44Å; M125-Q232 VanDerWaalsContact SD-CD 3.59Å; M125-Q232 HydrophobicContact SD-CG 3.86Å; L158-Q232 HydrophobicContact CD2-CB 4.36Å; L217-Q232 CarbonylContact C-O 3.54Å; L217-Q232 WeakPolarHBondContact CA-O 3.3Å; T218-Q232 PolarHBondContact N-O 2.79Å; T218-Q232 PolarHBondContact O-N 3.01Å; Q232-D234 PolarHBondContact NE2-OD1 3.46Å
233S91.8Very high91.1Very high51 Ų5170.6 Ų70.636%0.35740%0.403SS..EExtended strand (participates in β ladder)trans-124.5116.9175.9-177.50000108.7S216S216-S233 WeakPolarHBondContact O-CA 3.43Å
234D89.6Confident90.9Very high81 Ų8171 Ų7143%0.43341%0.409SS..EExtended strand (participates in β ladder)trans-116.7131.1177.9-57.3-44.6000109.3G215 S216 Q232G215-D234 CarbonylContact C-O 3.49Å; G215-D234 WeakPolarHBondContact CA-O 3.46Å; S216-D234 PolarHBondContact N-O 3.43Å; S216-D234 PolarHBondContact O-N 2.63Å; S216-D234 PolarHBondContact OG-O 3.27Å; Q232-D234 PolarHBondContact NE2-OD1 3.46Å
235G86.4Confident90.8Very high65 Ų6567.3 Ų67.367%0.6738%0.383SS*.EExtended strand (participates in β ladder)trans99.7-164178.700000114.2
236E84.8Confident90.8Very high126 Ų12664.4 Ų64.459%0.58937%0.369SS*.  trans-100.4116.6-172.8-171.6176.4-173.100110N213 L214 G215N213-E236 CarbonylContact C-O 3.34Å; N213-E236 VanDerWaalsContact CA-O 3.26Å; N213-E236 WeakPolarHBondContact CA-O 3.35Å; L214-E236 CarbonylContact C-O 3.51Å; L214-E236 PolarHBondContact N-O 2.97Å; L214-E236 PolarHBondContact O-N 3.32Å; G215-E236 PolarHBondContact N-O 3.36Å
237M84.3Confident90.7Very high34 Ų3467.3 Ų67.317%0.16737%0.372CS..  trans-137.9133.4175.2-59.1-176.171.800109.3Q187 L217 L242Q187-M237 HydrophobicContact CB-CE 4.27Å; L217-M237 HydrophobicContact CB-SD 4.38Å; M237-L242 HydrophobicContact CB-CB 4.43Å; M237-L242 HydrophobicContact CE-CD1 4.12Å; M237-L242 HydrophobicContact SD-CD1 3.91Å
238G86.3Confident90.6Very high32 Ų3263.3 Ų63.333%0.3336%0.355SS..  trans-70.8156.1167.100000111.8D240 T241 L242G238-D240 PolarHBondContact O-N 2.77Å; G238-T241 PolarHBondContact N-OG1 2.71Å; G238-T241 VanDerWaalsContact N-OG1 3.08Å; G238-T241 PolarHBondContact O-N 3.3Å; G238-T241 VanDerWaalsContact O-N 3.11Å; G238-T241 PolarHBondContact O-OG1 3.13Å; G238-L242 WeakPolarHBondContact O-CB 3.16Å; G238-L242 PolarHBondContact O-N 3.4Å
239E88.8Confident90.4Very high161 Ų16159.4 Ų59.475%0.75234%0.335SS*.Hα-helixtrans-57.6-46.4-177-176.2178.917600113.2T241 L242 T243E239-T241 VanDerWaalsContact C-N 3.26Å; E239-T241 PolarHBondContact O-N 3.13Å; E239-L242 PolarHBondContact O-N 3.46Å; E239-T243 PolarHBondContact O-N 2.92Å; E239-T243 PolarHBondContact O-OG1 3.06Å
240D89.1Confident90.4Very high145 Ų14559.9 Ų59.978%0.77534%0.336SS*.Hα-helixtrans-60.7-41177.3-67.9-34.6000111.1G238 T243 G244G238-D240 PolarHBondContact O-N 2.77Å; D240-T243 PolarHBondContact O-N 2.87Å; D240-G244 PolarHBondContact O-N 2.92Å
241T87.3Confident90.3Very high29 Ų2964.1 Ų64.118%0.17835%0.351CS..Hα-helixtrans-74.5-34.5-178.657.60000112.8Q187 Y192 G238 E239 G244 G245Q187-T241 PolarHBondContact NE2-OG1 3.21Å; Y192-T241 WeakPolarHBondContact CE1-O 3.36Å; Y192-T241 WeakPolarHBondContact OH-CA 3.22Å; Y192-T241 WeakPolarHBondContact OH-CB 3.36Å; Y192-T241 PolarHBondContact OH-O 2.67Å; G238-T241 PolarHBondContact N-OG1 2.71Å; G238-T241 VanDerWaalsContact N-OG1 3.08Å; G238-T241 PolarHBondContact O-N 3.3Å; G238-T241 VanDerWaalsContact O-N 3.11Å; G238-T241 PolarHBondContact O-OG1 3.13Å; E239-T241 VanDerWaalsContact C-N 3.26Å; E239-T241 PolarHBondContact O-N 3.13Å; T241-G244 PolarHBondContact O-N 3.31Å; T241-G245 PolarHBondContact O-N 3.29Å
242L90.4Very high90.2Very high48 Ų4859.9 Ų59.925%0.25133%0.329SS..Hα-helixtrans-63.8-45.8173.5-178.763.3000110.4L217 M237 G238 E239 G244 G245 V246L217-L242 HydrophobicContact CD1-CD1 3.59Å; L217-L242 HydrophobicContact CD2-CD1 4.17Å; L217-L242 HydrophobicContact CG-CD1 4.46Å; M237-L242 HydrophobicContact CB-CB 4.43Å; M237-L242 HydrophobicContact CE-CD1 4.12Å; M237-L242 HydrophobicContact SD-CD1 3.91Å; G238-L242 WeakPolarHBondContact O-CB 3.16Å; G238-L242 PolarHBondContact O-N 3.4Å; E239-L242 PolarHBondContact O-N 3.46Å; L242-G244 PolarHBondContact O-N 2.95Å; L242-G245 PolarHBondContact O-N 3.23Å; L242-G245 VanDerWaalsContact O-N 3.17Å; L242-V246 WeakPolarHBondContact O-CG2 3.33Å; L242-V246 PolarHBondContact O-N 2.95Å
243T92.5Very high90.1Very high62 Ų6257.5 Ų57.538%0.3832%0.318SS..Hα-helixtrans-63.1-41.6177.9-56.20000111.8E239 D240 R247E239-T243 PolarHBondContact O-N 2.92Å; E239-T243 PolarHBondContact O-OG1 3.06Å; D240-T243 PolarHBondContact O-N 2.87Å; T243-R247 WeakPolarHBondContact O-CG 3.33Å; T243-R247 PolarHBondContact O-N 3.36Å
244G90.7Very high90.2Very high19 Ų1959.5 Ų59.520%0.19632%0.32CS..Hα-helixtrans-62.2-41.9172.200000112.8D240 T241 L242 R247 T248D240-G244 PolarHBondContact O-N 2.92Å; T241-G244 PolarHBondContact O-N 3.31Å; L242-G244 PolarHBondContact O-N 2.95Å; G244-R247 PolarHBondContact O-N 3.29Å; G244-T248 WeakPolarHBondContact O-CB 3.48Å; G244-T248 PolarHBondContact O-N 2.93Å; G244-T248 PolarHBondContact O-OG1 2.89Å
245G90.4Very high90.3Very high0 Ų060.6 Ų60.60%032%0.321CS..Hα-helixtrans-60.4-48.2175.500000112.4I185 T241 L242 R247 T248 C249I185-G245 WeakPolarHBondContact CD1-O 3.44Å; T241-G245 PolarHBondContact O-N 3.29Å; L242-G245 PolarHBondContact O-N 3.23Å; L242-G245 VanDerWaalsContact O-N 3.17Å; G245-R247 PolarHBondContact O-N 2.73Å; G245-T248 WeakPolarHBondContact O-CB 2.83Å; G245-T248 PolarHBondContact O-N 3.47Å; G245-T248 VanDerWaalsContact O-N 3.17Å; G245-C249 PolarHBondContact O-N 2.91Å
246V93.8Very high90.5Very high23 Ų2358 Ų5814%0.13929%0.292CS..Hα-helixtrans-59.5-44.7177.8173.40000111.5L217 I228 L231 L242 T248 C249 I250L217-V246 HydrophobicContact CD2-CG2 3.76Å; I228-V246 HydrophobicContact CD1-CG1 3.68Å; L231-V246 HydrophobicContact CD1-CG2 4Å; L242-V246 WeakPolarHBondContact O-CG2 3.33Å; L242-V246 PolarHBondContact O-N 2.95Å; V246-T248 VanDerWaalsContact C-N 3.31Å; V246-T248 PolarHBondContact O-N 2.95Å; V246-C249 WeakPolarHBondContact O-CB 3.32Å; V246-C249 PolarHBondContact O-N 3.02Å; V246-I250 HydrophobicContact CG1-CD1 4.02Å; V246-I250 WeakPolarHBondContact O-CG1 3.27Å; V246-I250 PolarHBondContact O-N 2.83Å
247R93.2Very high90.9Very high167 Ų16754.2 Ų54.263%0.6327%0.272SS*.Hα-helixtrans-60.2-43.2176.8-70173.8-176.2172.54111.7T243 G244 G245 C249 I250 E251T243-R247 WeakPolarHBondContact O-CG 3.33Å; T243-R247 PolarHBondContact O-N 3.36Å; G244-R247 PolarHBondContact O-N 3.29Å; G245-R247 PolarHBondContact O-N 2.73Å; R247-C249 VanDerWaalsContact C-N 3.33Å; R247-C249 PolarHBondContact O-N 3.16Å; R247-I250 WeakPolarHBondContact O-CB 3.33Å; R247-I250 PolarHBondContact O-N 2.93Å; R247-E251 PolarHBondContact O-N 2.83Å; R247-E251 VanDerWaalsContact O-N 3.07Å
248T91.7Very high91.4Very high26 Ų2655.3 Ų55.316%0.1628%0.282CS..Hα-helixtrans-64.3-37.7177.3-53.40000111.6V45 I185 I194 G244 G245 V246 E251 G252V45-T248 HydrophobicContact CG2-CG2 4.33Å; I185-T248 HydrophobicContact CD1-CG2 3.67Å; I194-T248 HydrophobicContact CD1-CG2 3.4Å; I194-T248 HydrophobicContact CG1-CG2 3.73Å; G244-T248 WeakPolarHBondContact O-CB 3.48Å; G244-T248 PolarHBondContact O-N 2.93Å; G244-T248 PolarHBondContact O-OG1 2.89Å; G245-T248 WeakPolarHBondContact O-CB 2.83Å; G245-T248 PolarHBondContact O-N 3.47Å; G245-T248 VanDerWaalsContact O-N 3.17Å; V246-T248 VanDerWaalsContact C-N 3.31Å; V246-T248 PolarHBondContact O-N 2.95Å; T248-E251 PolarHBondContact O-N 3.36Å; T248-G252 PolarHBondContact O-N 2.87Å
249C91.8Very high91.7Very high0 Ų056.5 Ų56.50%028%0.283CS..Hα-helixtrans-62-44.6173.6-79.10000111.4C183 I185 V219 G245 V246 R247 E251 G252 C253C183-C249 HydrophobicContact CB-CB 4.42Å; I185-C249 HydrophobicContact CD1-CB 4.08Å; I185-C249 WeakPolarHBondContact CD1-SG 3.25Å; I185-C249 WeakPolarHBondContact CG1-SG 2.85Å; V219-C249 HydrophobicContact CB-CB 3.8Å; V219-C249 HydrophobicContact CG1-CB 4.44Å; V219-C249 HydrophobicContact CG2-CB 3.53Å; V219-C249 VanDerWaalsContact CG2-SG 3.57Å; G245-C249 PolarHBondContact O-N 2.91Å; V246-C249 WeakPolarHBondContact O-CB 3.32Å; V246-C249 PolarHBondContact O-N 3.02Å; R247-C249 VanDerWaalsContact C-N 3.33Å; R247-C249 PolarHBondContact O-N 3.16Å; C249-E251 VanDerWaalsContact C-N 3.33Å; C249-E251 PolarHBondContact O-N 2.84Å; C249-G252 WeakPolarHBondContact O-CA 3.45Å; C249-G252 PolarHBondContact O-N 2.97Å; C249-G252 VanDerWaalsContact O-N 3.1Å; C249-C253 PolarHBondContact O-N 2.87Å; C249-C253 PolarHBondContact O-SG 2.98Å
250I93.8Very high91.9Very high33 Ų3348.9 Ų48.917%0.16925%0.247CC..Hα-helixtrans-60.3-44.8179.5-68.3165.1000110.2F221 I228 V246 R247 G252 C253 F254F221-I250 HydrophobicContact CD2-CG1 4.21Å; F221-I250 HydrophobicContact CE1-CG2 4.02Å; F221-I250 HydrophobicContact CE2-CG1 4.24Å; F221-I250 HydrophobicContact CE2-CG2 4.16Å; F221-I250 HydrophobicContact CZ-CG2 3.78Å; I228-I250 HydrophobicContact CD1-CD1 4.45Å; V246-I250 HydrophobicContact CG1-CD1 4.02Å; V246-I250 WeakPolarHBondContact O-CG1 3.27Å; V246-I250 PolarHBondContact O-N 2.83Å; R247-I250 WeakPolarHBondContact O-CB 3.33Å; R247-I250 PolarHBondContact O-N 2.93Å; I250-G252 VanDerWaalsContact C-N 3.3Å; I250-G252 PolarHBondContact O-N 3.43Å; I250-C253 PolarHBondContact O-N 3.5Å; I250-F254 HydrophobicContact CG2-CD2 3.8Å; I250-F254 HydrophobicContact CG2-CE2 3.5Å; I250-F254 VanDerWaalsContact O-CD2 3.23Å; I250-F254 WeakPolarHBondContact O-CD2 3.46Å; I250-F254 PolarHBondContact O-N 3.33Å
251E92.6Very high92.1Very high105 Ų10546.3 Ų46.349%0.49123%0.23SC..Hα-helixtrans-60.2-39.5174-68.9178.8-168.700112.2V45 R247 T248 C249 F254 K255V45-E251 HydrophobicContact CG1-CB 3.94Å; R247-E251 PolarHBondContact O-N 2.83Å; R247-E251 VanDerWaalsContact O-N 3.07Å; T248-E251 PolarHBondContact O-N 3.36Å; C249-E251 VanDerWaalsContact C-N 3.33Å; C249-E251 PolarHBondContact O-N 2.84Å; E251-F254 PolarHBondContact O-N 2.74Å; E251-K255 WeakPolarHBondContact O-CG 3.41Å; E251-K255 PolarHBondContact O-N 2.82Å
252G91.3Very high92.5Very high0 Ų050.2 Ų50.20%025%0.247CC..Hα-helixtrans-61.2-44.7173.100000113T248 C249 I250 F254 K255 L256T248-G252 PolarHBondContact O-N 2.87Å; C249-G252 WeakPolarHBondContact O-CA 3.45Å; C249-G252 PolarHBondContact O-N 2.97Å; C249-G252 VanDerWaalsContact O-N 3.1Å; I250-G252 VanDerWaalsContact C-N 3.3Å; I250-G252 PolarHBondContact O-N 3.43Å; G252-F254 VanDerWaalsContact C-N 3.34Å; G252-F254 PolarHBondContact O-N 3.35Å; G252-K255 PolarHBondContact O-N 3.38Å; G252-L256 PolarHBondContact O-N 2.98Å
253C92.6Very high92.6Very high0 Ų048.6 Ų48.60%024%0.24CC..Hα-helixtrans-61-41.6175.9-70.40000111.9L181 C183 F221 C249 I250 K255 L256 Y257L181-C253 HydrophobicContact CB-CB 4.15Å; L181-C253 HydrophobicContact CD1-CB 4.3Å; L181-C253 VanDerWaalsContact CD1-O 3.22Å; L181-C253 WeakPolarHBondContact CD1-O 3.33Å; C183-C253 WeakPolarHBondContact CB-SG 3.27Å; F221-C253 HydrophobicContact CB-CB 4.34Å; F221-C253 HydrophobicContact CD1-CB 3.78Å; F221-C253 HydrophobicContact CG-CB 4.47Å; C249-C253 PolarHBondContact O-N 2.87Å; C249-C253 PolarHBondContact O-SG 2.98Å; I250-C253 PolarHBondContact O-N 3.5Å; C253-K255 VanDerWaalsContact C-N 3.26Å; C253-K255 PolarHBondContact O-N 3.11Å; C253-L256 PolarHBondContact O-N 3.11Å; C253-L256 VanDerWaalsContact O-N 3.15Å; C253-Y257 PolarHBondContact O-N 2.93Å
254F92.8Very high92.6Very high94 Ų9446.8 Ų46.841%0.41223%0.228SC..Hα-helixtrans-62.2-32.8176.9-82.3-62000113F221 P223 I250 E251 G252 P258F221-F254 HydrophobicContact CE1-CD2 4.34Å; F221-F254 HydrophobicContact CE1-CE1 4.25Å; F221-F254 AromaticContact CE1-CE2 3.79Å; F221-F254 HydrophobicContact CE1-CE2 3.79Å; F221-F254 AromaticContact CE1-CZ 3.73Å; F221-F254 HydrophobicContact CE1-CZ 3.73Å; F221-F254 AromaticContact CZ-CE2 3.92Å; F221-F254 HydrophobicContact CZ-CE2 3.92Å; F221-F254 AromaticContact CZ-CZ 3.85Å; F221-F254 HydrophobicContact CZ-CZ 3.85Å; P223-F254 HydrophobicContact CB-CD1 4.47Å; P223-F254 HydrophobicContact CB-CE1 4.14Å; I250-F254 HydrophobicContact CG2-CD2 3.8Å; I250-F254 HydrophobicContact CG2-CE2 3.5Å; I250-F254 VanDerWaalsContact O-CD2 3.23Å; I250-F254 WeakPolarHBondContact O-CD2 3.46Å; I250-F254 PolarHBondContact O-N 3.33Å; E251-F254 PolarHBondContact O-N 2.74Å; G252-F254 VanDerWaalsContact C-N 3.34Å; G252-F254 PolarHBondContact O-N 3.35Å; F254-P258 WeakPolarHBondContact O-CD 3.42Å
255K91Very high92.7Very high103 Ų10348.3 Ų48.345%0.44824%0.236SC..Hα-helixtrans-71.1-34.2174.8-68.8-177.5-177.8-164.50112.9V45 E251 G252 C253 P258V45-K255 HydrophobicContact CG1-CD 3.99Å; V45-K255 WeakPolarHBondContact O-CD 3.45Å; V45-K255 WeakPolarHBondContact O-CE 3.35Å; V45-K255 PolarHBondContact O-NZ 3.41Å; E251-K255 WeakPolarHBondContact O-CG 3.41Å; E251-K255 PolarHBondContact O-N 2.82Å; G252-K255 PolarHBondContact O-N 3.38Å; C253-K255 VanDerWaalsContact C-N 3.26Å; C253-K255 PolarHBondContact O-N 3.11Å; K255-P258 WeakPolarHBondContact O-CD 3.47Å; K255-P258 WeakPolarHBondContact O-CG 3.44Å
256L91.4Very high92.8Very high11 Ų1154.1 Ų54.16%0.05826%0.261CS..Hα-helixtrans-73.4-32.3176.5-77.5176.6000113.2V47 V50 G252 C253 V259 I260V47-L256 HydrophobicContact CB-CD2 4.32Å; V47-L256 HydrophobicContact CB-CG 4.5Å; V47-L256 HydrophobicContact CG1-CD1 4.11Å; V47-L256 HydrophobicContact CG1-CD2 3.71Å; V47-L256 HydrophobicContact CG1-CG 4Å; V47-L256 HydrophobicContact CG2-CG 4.32Å; V50-L256 HydrophobicContact CB-CD2 4.28Å; V50-L256 HydrophobicContact CG2-CD2 3.63Å; G252-L256 PolarHBondContact O-N 2.98Å; C253-L256 PolarHBondContact O-N 3.11Å; C253-L256 VanDerWaalsContact O-N 3.15Å; L256-V259 WeakPolarHBondContact O-CB 3.41Å; L256-V259 PolarHBondContact O-N 2.99Å; L256-V259 VanDerWaalsContact O-N 3.14Å; L256-I260 HydrophobicContact CB-CD1 4.39Å; L256-I260 PolarHBondContact O-N 3.41Å
257Y93.4Very high92.7Very high46 Ų4653.7 Ų53.718%0.1826%0.26CS..Hα-helixtrans-50.1-50.5-176-170.1-128.9000115.7L179 L181 P223 S224 C253 V259 I260 Q261L179-Y257 HydrophobicContact CD1-CE2 4.07Å; L181-Y257 HydrophobicContact CD1-CD2 3.93Å; L181-Y257 HydrophobicContact CD1-CG 4.3Å; P223-Y257 HydrophobicContact CB-CD2 4.19Å; P223-Y257 HydrophobicContact CB-CE2 4.33Å; P223-Y257 HydrophobicContact CB-CG 4.29Å; P223-Y257 HydrophobicContact CG-CD2 3.51Å; P223-Y257 HydrophobicContact CG-CE2 3.45Å; P223-Y257 VanDerWaalsContact CG-CE2 3.45Å; P223-Y257 HydrophobicContact CG-CG 4.1Å; S224-Y257 PolarHBondContact OG-OH 3.1Å; C253-Y257 PolarHBondContact O-N 2.93Å; Y257-V259 VanDerWaalsContact C-N 3.31Å; Y257-V259 PolarHBondContact O-N 3.38Å; Y257-I260 PolarHBondContact O-N 3Å; Y257-Q261 HydrophobicContact CD2-CG 4.32Å; Y257-Q261 HydrophobicContact CE1-CG 4.38Å; Y257-Q261 HydrophobicContact CE2-CG 4.08Å; Y257-Q261 WeakPolarHBondContact O-CG 3.36Å; Y257-Q261 PolarHBondContact O-N 2.85Å; Y257-Q261 PolarHBondContact OH-NE2 3.41Å
258P93.8Very high92.6Very high57 Ų5750.5 Ų50.537%0.3726%0.259SS..Hα-helixtrans-63.4-34-179.824-35.2000113.3F254 K255 I260 Q261 Q262F254-P258 WeakPolarHBondContact O-CD 3.42Å; K255-P258 WeakPolarHBondContact O-CD 3.47Å; K255-P258 WeakPolarHBondContact O-CG 3.44Å; P258-I260 VanDerWaalsContact C-N 3.31Å; P258-I260 PolarHBondContact O-N 2.94Å; P258-Q261 PolarHBondContact O-N 2.86Å; P258-Q262 WeakPolarHBondContact O-CB 3.33Å; P258-Q262 VanDerWaalsContact O-CG 3.27Å; P258-Q262 WeakPolarHBondContact O-CG 3.48Å; P258-Q262 PolarHBondContact O-N 2.85Å
259V92.8Very high92.5Very high57 Ų5758.8 Ų58.835%0.34529%0.287SS..Hα-helixtrans-63.3-42.8177.9-179.60000110.1L256 Y257 Q262 A263L256-V259 WeakPolarHBondContact O-CB 3.41Å; L256-V259 PolarHBondContact O-N 2.99Å; L256-V259 VanDerWaalsContact O-N 3.14Å; Y257-V259 VanDerWaalsContact C-N 3.31Å; Y257-V259 PolarHBondContact O-N 3.38Å; V259-Q262 PolarHBondContact O-N 3Å; V259-A263 PolarHBondContact O-N 3.3Å
260I94Very high92.3Very high2 Ų267.2 Ų67.21%0.0132%0.319CS..Hα-helixtrans-70.1-43.4-179.3-68.2164.2000111.1T163 M167 L179 L181 L256 Y257 P258 Q262 A263 L264T163-I260 HydrophobicContact CG2-CD1 3.36Å; T163-I260 HydrophobicContact CG2-CG1 4.32Å; M167-I260 HydrophobicContact CE-CG2 3.94Å; M167-I260 HydrophobicContact CG-CG2 3.98Å; M167-I260 HydrophobicContact SD-CB 4.45Å; M167-I260 HydrophobicContact SD-CG1 4.18Å; M167-I260 HydrophobicContact SD-CG2 3.75Å; L179-I260 HydrophobicContact CD1-CG2 4.08Å; L181-I260 HydrophobicContact CD2-CD1 3.22Å; L181-I260 HydrophobicContact CG-CD1 4.47Å; L256-I260 HydrophobicContact CB-CD1 4.39Å; L256-I260 PolarHBondContact O-N 3.41Å; Y257-I260 PolarHBondContact O-N 3Å; P258-I260 VanDerWaalsContact C-N 3.31Å; P258-I260 PolarHBondContact O-N 2.94Å; I260-Q262 VanDerWaalsContact C-N 3.3Å; I260-Q262 PolarHBondContact O-N 3.03Å; I260-A263 PolarHBondContact O-N 3.21Å; I260-A263 VanDerWaalsContact O-N 3.13Å; I260-L264 HydrophobicContact CG2-CD1 4.16Å; I260-L264 WeakPolarHBondContact O-CG 3.49Å; I260-L264 PolarHBondContact O-N 2.91Å
261Q93.4Very high91.9Very high90 Ų9071.6 Ų71.642%0.42134%0.337SS..Hα-helixtrans-59.4-41.1174.1-73.1-171.3-23.700112.2Y257 P258 A263 L264 S265Y257-Q261 HydrophobicContact CD2-CG 4.32Å; Y257-Q261 HydrophobicContact CE1-CG 4.38Å; Y257-Q261 HydrophobicContact CE2-CG 4.08Å; Y257-Q261 WeakPolarHBondContact O-CG 3.36Å; Y257-Q261 PolarHBondContact O-N 2.85Å; Y257-Q261 PolarHBondContact OH-NE2 3.41Å; P258-Q261 PolarHBondContact O-N 2.86Å; Q261-A263 VanDerWaalsContact C-N 3.35Å; Q261-L264 PolarHBondContact O-N 3.02Å; Q261-S265 WeakPolarHBondContact O-CB 3.4Å; Q261-S265 PolarHBondContact O-N 3.47Å; Q261-S265 PolarHBondContact O-OG 3.47Å
262Q94.4Very high91.5Very high111 Ų11169.1 Ų69.152%0.51934%0.335SS..Hα-helixtrans-64.6-39.1174.7-74179.71300112P258 V259 I260 S265 K266P258-Q262 WeakPolarHBondContact O-CB 3.33Å; P258-Q262 VanDerWaalsContact O-CG 3.27Å; P258-Q262 WeakPolarHBondContact O-CG 3.48Å; P258-Q262 PolarHBondContact O-N 2.85Å; V259-Q262 PolarHBondContact O-N 3Å; I260-Q262 VanDerWaalsContact C-N 3.3Å; I260-Q262 PolarHBondContact O-N 3.03Å; Q262-S265 WeakPolarHBondContact CA-OG 3.39Å; Q262-S265 PolarHBondContact O-OG 2.76Å; Q262-K266 WeakPolarHBondContact O-CB 3.43Å; Q262-K266 WeakPolarHBondContact O-CD 3.37Å; Q262-K266 WeakPolarHBondContact O-CG 3.3Å; Q262-K266 PolarHBondContact O-N 3.08Å
263A93.3Very high90.8Very high14 Ų1474.4 Ų74.412%0.11637%0.369CS..Hα-helixtrans-66-42.4176.600000112V52 M167 V259 I260 Q261 K266 A267V52-A263 HydrophobicContact CB-CB 4.07Å; V52-A263 HydrophobicContact CG1-CB 3.6Å; M167-A263 HydrophobicContact CE-CB 4Å; V259-A263 PolarHBondContact O-N 3.3Å; I260-A263 PolarHBondContact O-N 3.21Å; I260-A263 VanDerWaalsContact O-N 3.13Å; Q261-A263 VanDerWaalsContact C-N 3.35Å; A263-K266 PolarHBondContact O-N 3.42Å; A263-A267 WeakPolarHBondContact O-CB 3.18Å; A263-A267 PolarHBondContact O-N 3.1Å
264L92.5Very high90Very high24 Ų2480 Ų8013%0.12641%0.405CS..Hα-helixtrans-64.5-47.9176.4-72.5173.1000112M167 V170 L179 I260 Q261 K266 A267 V268M167-L264 HydrophobicContact CE-CD2 3.89Å; M167-L264 HydrophobicContact CE-CG 3.87Å; V170-L264 HydrophobicContact CB-CD2 4.01Å; V170-L264 HydrophobicContact CG1-CD1 4.38Å; V170-L264 HydrophobicContact CG1-CD2 3.81Å; V170-L264 HydrophobicContact CG2-CD1 4.35Å; V170-L264 HydrophobicContact CG2-CD2 4.42Å; L179-L264 HydrophobicContact CD1-CD1 3.64Å; L179-L264 HydrophobicContact CD2-CD1 4.1Å; I260-L264 HydrophobicContact CG2-CD1 4.16Å; I260-L264 WeakPolarHBondContact O-CG 3.49Å; I260-L264 PolarHBondContact O-N 2.91Å; Q261-L264 PolarHBondContact O-N 3.02Å; L264-K266 VanDerWaalsContact C-N 3.29Å; L264-K266 PolarHBondContact O-N 2.66Å; L264-A267 WeakPolarHBondContact O-CB 3.31Å; L264-A267 PolarHBondContact O-N 3.11Å; L264-V268 WeakPolarHBondContact O-CG2 3.12Å; L264-V268 PolarHBondContact O-N 3.33Å
265S93.6Very high89.2Confident52 Ų5280.8 Ų80.836%0.36442%0.422SS..Hα-helixtrans-60.9-38.2177.257.80000112.3Q261 Q262 R269Q261-S265 WeakPolarHBondContact O-CB 3.4Å; Q261-S265 PolarHBondContact O-N 3.47Å; Q261-S265 PolarHBondContact O-OG 3.47Å; Q262-S265 WeakPolarHBondContact CA-OG 3.39Å; Q262-S265 PolarHBondContact O-OG 2.76Å; S265-R269 WeakPolarHBondContact O-CB 3.41Å; S265-R269 VanDerWaalsContact O-CG 3.28Å; S265-R269 WeakPolarHBondContact O-CG 3.33Å; S265-R269 PolarHBondContact O-N 3.09Å
266K92.3Very high87.9Confident121 Ų12185.5 Ų85.553%0.52645%0.446SS..Hα-helixtrans-63.8-41.2171.7-74.5170.7-174.9172.60112.1Q262 A263 L264 R269 R270Q262-K266 WeakPolarHBondContact O-CB 3.43Å; Q262-K266 WeakPolarHBondContact O-CD 3.37Å; Q262-K266 WeakPolarHBondContact O-CG 3.3Å; Q262-K266 PolarHBondContact O-N 3.08Å; A263-K266 PolarHBondContact O-N 3.42Å; L264-K266 VanDerWaalsContact C-N 3.29Å; L264-K266 PolarHBondContact O-N 2.66Å; K266-R269 PolarHBondContact O-N 3.23Å; K266-R270 WeakPolarHBondContact O-CG 3.26Å; K266-R270 PolarHBondContact O-N 3.24Å; K266-R270 VanDerWaalsContact O-N 3.1Å
267A90.7Very high86.2Confident14 Ų1493.8 Ų93.812%0.11651%0.505CS..Hα-helixtrans-64.7-44.3178.200000111.9C54 A263 L264 R270 K271C54-A267 HydrophobicContact CB-CB 3.79Å; A263-A267 WeakPolarHBondContact O-CB 3.18Å; A263-A267 PolarHBondContact O-N 3.1Å; L264-A267 WeakPolarHBondContact O-CB 3.31Å; L264-A267 PolarHBondContact O-N 3.11Å; A267-R270 PolarHBondContact O-N 3.18Å; A267-K271 PolarHBondContact O-N 3.12Å; A267-K271 VanDerWaalsContact O-N 3.14Å
268V90.8Very high85.8Confident101 Ų10196.2 Ų96.261%0.61252%0.521SS*.Hα-helixtrans-61.3-46.2175.5174.20000111L264 R270 K271 A272L264-V268 WeakPolarHBondContact O-CG2 3.12Å; L264-V268 PolarHBondContact O-N 3.33Å; V268-R270 PolarHBondContact O-N 3.46Å; V268-K271 PolarHBondContact O-N 2.97Å; V268-K271 VanDerWaalsContact O-N 3.09Å; V268-A272 PolarHBondContact O-N 2.81Å
269R91.2Very high85.4Confident200 Ų20098.3 Ų98.376%0.75553%0.529SS*.Hα-helixtrans-60-32176.8-74.9176.4-176.9-173.42113.5S265 K266S265-R269 WeakPolarHBondContact O-CB 3.41Å; S265-R269 VanDerWaalsContact O-CG 3.28Å; S265-R269 WeakPolarHBondContact O-CG 3.33Å; S265-R269 PolarHBondContact O-N 3.09Å; K266-R269 PolarHBondContact O-N 3.23Å
270R87Confident85Confident176 Ų176100.6 Ų100.666%0.66454%0.539SS*.Hα-helixtrans-73.7-32.2175.8-75.5174.8175.6-179.8-1.1113.1K266 A267 V268K266-R270 WeakPolarHBondContact O-CG 3.26Å; K266-R270 PolarHBondContact O-N 3.24Å; K266-R270 VanDerWaalsContact O-N 3.1Å; A267-R270 PolarHBondContact O-N 3.18Å; V268-R270 PolarHBondContact O-N 3.46Å
271K84.5Confident84.5Confident126 Ų126106.4 Ų106.455%0.54857%0.57SS.*Hα-helixtrans-79.6-22.1176.3-72.9-177.6171.9176.50112.3D171 A267 V268D171-K271 VanDerWaalsContact CG-NZ 3.29Å; D171-K271 PolarHBondContact O-NZ 2.97Å; D171-K271 WeakPolarHBondContact OD1-CE 3.49Å; D171-K271 IonicContact OD1-NZ 2.64Å; D171-K271 PolarHBondContact OD1-NZ 2.91Å; D171-K271 IonicContact OD2-NZ 3.53Å; A267-K271 PolarHBondContact O-N 3.12Å; A267-K271 VanDerWaalsContact O-N 3.14Å; V268-K271 PolarHBondContact O-N 2.97Å; V268-K271 VanDerWaalsContact O-N 3.09Å
272A84.3Confident83.9Confident53 Ų53107.4 Ų107.444%0.43858%0.58SS.*SBendtrans-62.6136.1176.700000110.5V268V268-A272 PolarHBondContact O-N 2.81Å
273P76.7Confident83.2Confident111 Ų111107.1 Ų107.172%0.72158%0.584SS**PPolyproline II helixtrans-60.7149.5173.226.1-32.7000110S275P273-S275 PolarHBondContact O-N 2.76Å
274P76.9Confident82.5Confident118 Ų118113.8 Ų113.877%0.76662%0.617SS**PPolyproline II helixtrans-56.7134.4170.425.2-31.8000108.6E276P274-E276 PolarHBondContact O-N 3.43Å; P274-E276 VanDerWaalsContact O-N 3.14Å
275S74.7Confident81.7Confident109 Ų109120.7 Ų120.776%0.76266%0.655SS**PPolyproline II helixtrans-57.4120175.251.50000108.6P273 S277P273-S275 PolarHBondContact O-N 2.76Å; S275-S277 PolarHBondContact O-N 3.34Å
276E63.8Low80.7Confident203 Ų203126.4 Ų126.495%0.94968%0.679SS**  trans-58112.8171.1-67.9-177.1164.700108P274P274-E276 PolarHBondContact O-N 3.43Å; P274-E276 VanDerWaalsContact O-N 3.14Å
277S55.8Low79.7Confident185 Ų185126.9 Ų126.9100%1.29469%0.693SS**  trans-106.80176.461.70000110.1S275S275-S277 PolarHBondContact O-N 3.34Å

Retrieved 277 of 277 residues in 219.1 ms (Link to these results)