A0A087WZV9_HUMAN Loading...

D-aminoacyl-tRNA deacylase

An aminoacyl-tRNA editing enzyme that deacylates mischarged D-aminoacyl-tRNAs. Also deacylates mischarged glycyl-tRNA(Ala), protecting cells against glycine mischarging by AlaRS. Acts via tRNA-based rather than protein-based catalysis; rejects L-amino acids rather than detecting D-amino acids in the active site. By recycling D-aminoacyl-tRNA to D-amino acids and free tRNA molecules, this enzyme counteracts the toxicity associated with the formation of D-aminoacyl-tRNA entities in vivo and helps enforce protein L-homochirality.

AlphaFold DB , UniProt , Accession A0A087WZV9, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 223 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
1M34.6Very low28.6Very low230 Ų230180.4 Ų180.4100%1.13382%0.82SS**  0121.70-106.7170.4165.400107.9
2Y32.4Very low28.1Very low213 Ų213181.4 Ų181.484%0.83581%0.813SS**  trans55.289.6175.2-66.1-81.4000119.1
3R29Very low27.8Very low217 Ų217181.4 Ų181.482%0.81982%0.819SS**  trans-77.4109.5159-142.3-176.3-160.1-162.38.3107.1E5R3-E5 IonicContact NH1-OE1 3.58Å; R3-E5 PolarHBondContact O-N 3.23Å
4N29.8Very low27.6Very low141 Ų141171.7 Ų171.775%0.75478%0.783SS**  trans-81.190.9172.9-82.4-19.5000109.3F6N4-F6 PolarHBondContact O-N 3.37Å
5E30.3Very low27.8Very low137 Ų137163.7 Ų163.764%0.6475%0.752SS**  trans-86.383.7161.5-73-176.5-174.400108.4R3 T7R3-E5 IonicContact NH1-OE1 3.58Å; R3-E5 PolarHBondContact O-N 3.23Å; E5-T7 PolarHBondContact O-N 3.36Å
6F27.9Very low28Very low201 Ų201156.1 Ų156.188%0.88272%0.721SS**  trans-87.786.2161.7-112.2-93.5000107.3N4 A8N4-F6 PolarHBondContact O-N 3.37Å; F6-A8 PolarHBondContact O-N 2.99Å
7T29.1Very low28.3Very low126 Ų126153.8 Ų153.877%0.77371%0.706SS**  trans-63.596.1169.626.30000109.4E5 W9E5-T7 PolarHBondContact O-N 3.36Å; T7-W9 VanDerWaalsContact C-N 3.31Å; T7-W9 PolarHBondContact O-N 2.96Å
8A30.7Very low28.2Very low97 Ų97146.9 Ų146.980%0.80268%0.684SS**  trans-67.189163.200000109.2F6F6-A8 PolarHBondContact O-N 2.99Å
9W24.8Very low28.1Very low206 Ų206147.4 Ų147.478%0.7869%0.689SS**  trans-15192.4169.8-126.271000109.3T7T7-W9 VanDerWaalsContact C-N 3.31Å; T7-W9 PolarHBondContact O-N 2.96Å
10Y23.3Very low27.9Very low248 Ų248143.4 Ų143.497%0.97369%0.69SS**  trans-132.687.1160.9-107.4-88000108.7
11R22.9Very low27.9Very low168 Ų168142.9 Ų142.963%0.63470%0.696SS**  trans-98.5139167.7-115.2-178.5174-171.5-0.6108
12R22.6Very low27.4Very low193 Ų193143.3 Ų143.373%0.72869%0.685SS**  trans77.993.5151.7-67175-176.7148.8-3.3117.9
13M23.7Very low27.1Very low181 Ų181138.3 Ų138.389%0.89268%0.681SS**  trans-65.7129.5147.5-156.1128.870.300108.4V15M13-V15 HydrophobicContact CG-CG2 4.26Å
14S25.3Very low27Very low46 Ų46133.5 Ų133.532%0.32268%0.676SS.*  trans-123.4122.9172.7-66.40000108.9N162S14-N162 WeakPolarHBondContact CB-ND2 3.29Å; S14-N162 PolarHBondContact O-ND2 3.49Å
15V30.3Very low26.9Very low52 Ų52133 Ų13332%0.31567%0.673SS.*  trans-129.3144-173.3179.50000106.9M13 Y17 L55M13-V15 HydrophobicContact CG-CG2 4.26Å; V15-Y17 HydrophobicContact CB-CD2 3.73Å; V15-Y17 HydrophobicContact CB-CE2 4.06Å; V15-Y17 HydrophobicContact CG1-CD2 3.32Å; V15-Y17 HydrophobicContact CG1-CE2 3.4Å; V15-Y17 HydrophobicContact CG1-CG 4.41Å; V15-Y17 PolarHBondContact O-N 2.74Å; V15-Y17 VanDerWaalsContact O-N 3.08Å; V15-L55 HydrophobicContact CG1-CD1 3.51Å
16V31.2Very low26.6Very low42 Ų42127.9 Ų127.926%0.25566%0.656SS.*  trans-70.8100.1167.3-173.80000107.5T167 I168V16-T167 HydrophobicContact CB-CG2 4.16Å; V16-T167 HydrophobicContact CG1-CG2 4.22Å; V16-T167 HydrophobicContact CG2-CG2 4.02Å; V16-I168 WeakPolarHBondContact CG1-O 3.43Å
17Y32.7Very low26.4Very low117 Ų117120.1 Ų120.146%0.45963%0.627SS.*  trans-122.9147.2172.1-97.9-78000110V15 T106 L107V15-Y17 HydrophobicContact CB-CD2 3.73Å; V15-Y17 HydrophobicContact CB-CE2 4.06Å; V15-Y17 HydrophobicContact CG1-CD2 3.32Å; V15-Y17 HydrophobicContact CG1-CE2 3.4Å; V15-Y17 HydrophobicContact CG1-CG 4.41Å; V15-Y17 PolarHBondContact O-N 2.74Å; V15-Y17 VanDerWaalsContact O-N 3.08Å; Y17-T106 PolarHBondContact OH-OG1 2.96Å; Y17-L107 HydrophobicContact CD1-CD2 3.49Å; Y17-L107 VanDerWaalsContact CD1-CD2 3.49Å; Y17-L107 HydrophobicContact CE1-CD2 3.7Å; Y17-L107 HydrophobicContact CG-CD2 4.13Å
18G26Very low26.5Very low30 Ų30116 Ų11631%0.30960%0.6SS.*  trans-87153.7165.700000114.3E169G18-E169 WeakPolarHBondContact CA-OE1 3.37Å; G18-E169 WeakPolarHBondContact CA-OE2 3.41Å
19I27.3Very low26.2Very low155 Ų155115.2 Ų115.280%0.79558%0.582SS**SBendtrans79.9104.9175.8-45.3174.1000116.6
20G24.3Very low26.7Very low68 Ų68106.9 Ų106.970%0.70155%0.55SS**  trans124.494.5152.500000116.9
21T27.1Very low27Very low132 Ų132101.2 Ų101.281%0.8153%0.528SS*.  trans15.7125.1161.257.10000122
22W25.4Very low27.4Very low239 Ų23993.3 Ų93.391%0.90550%0.499SS*.  trans105.8119.4154.4-68.386.8000121
23S24.5Very low27.8Very low108 Ų10888 Ų8876%0.75548%0.479SS*.  trans94.7129.2139.3-60.70000122
24V28.8Very low28.3Very low117 Ų11779.4 Ų79.471%0.70944%0.436SS*.  trans-94.2148.6-174.5-179.90000111.7W88V24-W88 HydrophobicContact CG1-CZ2 4.42Å
25L25.8Very low28.5Very low131 Ų13179.6 Ų79.669%0.68643%0.433SS*.  trans-175.5138.6142.6-101.7143.3000111.1G164 P165L25-G164 CarbonylContact O-C 3.53Å; L25-P165 CarbonylContact O-C 3.53Å; L25-P165 VanDerWaalsContact O-CA 3.27Å; L25-P165 WeakPolarHBondContact O-CA 3.49Å; L25-P165 WeakPolarHBondContact O-CD 3.46Å
26G24.4Very low28.5Very low29 Ų2978.3 Ų78.330%0.29943%0.427SS..  trans-125177.8-161.400000119.8G164G26-G164 VanDerWaalsContact CA-CA 3.42Å; G26-G164 VanDerWaalsContact O-CA 3.29Å; G26-G164 WeakPolarHBondContact O-CA 3.4Å
27S25.2Very low28.4Very low38 Ų3883.9 Ų83.927%0.26645%0.448SS..  trans103.9139.4165.3-59.60000121.4E81 D163 G164S27-E81 PolarHBondContact OG-OE1 3.32Å; S27-D163 CarbonylContact C-O 3.43Å; S27-D163 CarbonylContact O-C 3.59Å; S27-D163 VanDerWaalsContact O-CA 3.3Å; S27-D163 WeakPolarHBondContact O-CA 3.32Å; S27-D163 VanDerWaalsContact O-CB 3.31Å; S27-D163 WeakPolarHBondContact O-CB 3.38Å; S27-G164 WeakPolarHBondContact O-CA 3.44Å; S27-G164 PolarHBondContact O-N 3.4Å
28L29.3Very low28.1Very low39 Ų3982.8 Ų82.820%0.20446%0.457CS..  trans-117.2130.1-130.8-172.189.5000123.7Y30 R50 F80 Y97 D163L28-Y30 HydrophobicContact CD1-CD2 3.99Å; L28-Y30 HydrophobicContact CD1-CE2 4.42Å; L28-R50 HydrophobicContact CD2-CB 4.18Å; L28-R50 HydrophobicContact CD2-CG 4.37Å; L28-F80 HydrophobicContact CD1-CD1 4.41Å; L28-F80 HydrophobicContact CD1-CE1 3.71Å; L28-F80 HydrophobicContact CD2-CD1 3.64Å; L28-F80 HydrophobicContact CD2-CE1 3.33Å; L28-F80 HydrophobicContact CD2-CZ 4.45Å; L28-F80 HydrophobicContact CG-CD1 4.4Å; L28-F80 HydrophobicContact CG-CE1 4.02Å; L28-Y97 HydrophobicContact CD2-CD2 4.04Å; L28-Y97 HydrophobicContact CD2-CE2 3.67Å; L28-D163 WeakPolarHBondContact CA-OD2 3.34Å; L28-D163 VanDerWaalsContact N-CG 3.32Å; L28-D163 PolarHBondContact N-OD2 3.43Å; L28-D163 VanDerWaalsContact O-OD2 3.08Å
29L25.3Very low28.3Very low80 Ų8086.6 Ų86.642%0.41948%0.479SS..  trans-162.5123.4162.4-151.891.5000108.6R50 D163L29-R50 HydrophobicContact CD1-CG 4.46Å; L29-D163 PolarHBondContact N-OD2 2.99Å
30Y35.7Very low28.3Very low32 Ų3286.3 Ų86.313%0.12548%0.484CS..  trans-136.9132.1-175.4-98.1-89.9000112.6L28 G49 I160 Q161 N162 D163L28-Y30 HydrophobicContact CD1-CD2 3.99Å; L28-Y30 HydrophobicContact CD1-CE2 4.42Å; Y30-G49 CarbonylContact O-C 3.21Å; Y30-G49 WeakPolarHBondContact O-CA 3.3Å; Y30-I160 HydrophobicContact CE1-CB 4.05Å; Y30-I160 HydrophobicContact CE1-CG2 3.4Å; Y30-I160 VanDerWaalsContact CE1-CG2 3.4Å; Y30-I160 WeakPolarHBondContact OH-CG2 2.87Å; Y30-Q161 HydrophobicContact CD1-CB 3.84Å; Y30-Q161 WeakPolarHBondContact CD1-O 3.35Å; Y30-Q161 WeakPolarHBondContact CD2-O 3.46Å; Y30-Q161 VanDerWaalsContact CE1-CA 3.45Å; Y30-Q161 HydrophobicContact CE1-CB 4.24Å; Y30-Q161 WeakPolarHBondContact CE1-O 3.29Å; Y30-Q161 WeakPolarHBondContact CE2-O 3.46Å; Y30-Q161 HydrophobicContact CG-CB 4.34Å; Y30-N162 VanDerWaalsContact CE2-CA 3.43Å; Y30-N162 WeakPolarHBondContact OH-CA 3.39Å; Y30-N162 WeakPolarHBondContact OH-CB 3.31Å; Y30-N162 PolarHBondContact OH-N 3.02Å; Y30-N162 PolarHBondContact OH-ND2 2.84Å; Y30-N162 PolarHBondContact OH-OD1 2.98Å; Y30-D163 HydrophobicContact CD2-CB 4.48Å; Y30-D163 VanDerWaalsContact CE2-N 3.28Å
31Y28.3Very low29.1Very low129 Ų12986.5 Ų86.551%0.50649%0.487SS..  trans-115.1112.2162.6178.4-101.4000106R33 Q44Y31-R33 HydrophobicContact CD1-CB 4.32Å; Y31-R33 HydrophobicContact CE1-CB 3.69Å; Y31-Q44 PolarHBondContact OH-OE1 2.98Å
32S32.1Very low30.5Very low2 Ų281.7 Ų81.71%0.01446%0.463CS..  trans-94.6126.3166.7-167.40000109A47 I48 L100 H159S32-A47 WeakPolarHBondContact O-CA 3.31Å; S32-A47 WeakPolarHBondContact O-CB 3.37Å; S32-I48 PolarHBondContact N-O 2.96Å; S32-L100 WeakPolarHBondContact OG-CD2 3.22Å; S32-H159 VanDerWaalsContact CA-O 3.31Å; S32-H159 WeakPolarHBondContact CA-O 3.48Å; S32-H159 WeakPolarHBondContact CB-O 3.35Å; S32-H159 PolarHBondContact OG-O 2.86Å
33R32.2Very low32.3Very low82 Ų8277.5 Ų77.531%0.30945%0.454SS..  trans-117.6111.5166.2-178.2169.4-168.2-127.2-8.5105.9Y31 M35 G42 Q44 H159Y31-R33 HydrophobicContact CD1-CB 4.32Å; Y31-R33 HydrophobicContact CE1-CB 3.69Å; R33-M35 HydrophobicContact CG-CG 4.22Å; R33-M35 PolarHBondContact NH1-SD 3.26Å; R33-M35 PolarHBondContact O-N 2.98Å; R33-G42 PolarHBondContact NH2-O 3.27Å; R33-Q44 HydrophobicContact CG-CB 4.28Å; R33-Q44 HydrophobicContact CG-CG 3.97Å; R33-H159 WeakPolarHBondContact O-CB 3.27Å; R33-H159 PolarHBondContact O-CD2 2.77Å; R33-H159 PolarHBondContact O-N 2.59Å
34T32.4Very low34.4Very low0 Ų076.2 Ų76.20%044%0.436CS..EExtended strand (participates in β ladder)trans-85.8107.1170.7-56.40000108.4Q44 I45 S46 M156 Q157T34-Q44 WeakPolarHBondContact O-CA 3.2Å; T34-I45 HydrophobicContact CG2-CD1 4.45Å; T34-I45 PolarHBondContact O-N 3.21Å; T34-I45 VanDerWaalsContact O-N 3.12Å; T34-S46 PolarHBondContact N-O 3.06Å; T34-M156 HydrophobicContact CG2-CB 3.88Å; T34-M156 HydrophobicContact CG2-CG 3.84Å; T34-M156 HydrophobicContact CG2-SD 3.82Å; T34-Q157 CarbonylContact C-O 3.11Å; T34-Q157 VanDerWaalsContact CA-O 3.28Å; T34-Q157 WeakPolarHBondContact CA-O 3.25Å
35M30.8Very low36.5Very low50 Ų5073.7 Ų73.725%0.24642%0.418CS..EExtended strand (participates in β ladder)trans-94.3114.5170.2-80.6-171.4-87.800109R33 Q157 H159R33-M35 HydrophobicContact CG-CG 4.22Å; R33-M35 PolarHBondContact NH1-SD 3.26Å; R33-M35 PolarHBondContact O-N 2.98Å; M35-Q157 HydrophobicContact CB-CB 4.25Å; M35-Q157 PolarHBondContact N-O 3.13Å; M35-Q157 VanDerWaalsContact O-CB 3.29Å; M35-Q157 WeakPolarHBondContact O-CB 3.43Å; M35-Q157 PolarHBondContact O-N 2.92Å; M35-H159 WeakPolarHBondContact CE-NE2 3.29Å
36A29.6Very low39Very low24 Ų2468.2 Ų68.220%0.19839%0.39CS..  trans-82.9124.1164.100000108.7I45A36-I45 HydrophobicContact CB-CD1 3.61Å; A36-I45 HydrophobicContact CB-CG1 4.48Å
37K29.6Very low41.5Very low160 Ų16068.1 Ų68.170%0.69639%0.387SS*.  trans-99.487175-166.4178.8-176178.20108.6
38S26.4Very low44.1Very low93 Ų9366.7 Ų66.765%0.6538%0.376SS*.SBendtrans-87.6143.1141.261.40000107.1V40S38-V40 PolarHBondContact O-N 3.2Å
39S30.1Very low46.6Very low110 Ų11066.3 Ų66.377%0.76938%0.382SS*.THydrogen-bonded Turntrans-50.2123.1-178.3-31.90000110.1
40V27.9Very low49.4Very low149 Ų14968.2 Ų68.290%0.90338%0.384SS*.THydrogen-bonded Turntrans77.791.3-177.2-1640000114.4S38S38-V40 PolarHBondContact O-N 3.2Å
41G40.9Very low51.9Low73 Ų7366.9 Ų66.975%0.75338%0.379SS*.THydrogen-bonded Turntrans152.8-35.8161.700000119.4E43G41-E43 VanDerWaalsContact C-N 3.32Å; G41-E43 PolarHBondContact O-N 2.89Å
42G55.3Low54.7Low31 Ų3162.2 Ų62.232%0.3236%0.363SS..  trans53.139.6173.200000116.1R33R33-G42 PolarHBondContact NH2-O 3.27Å
43E63.1Low57.4Low151 Ų15163.4 Ų63.471%0.70637%0.371SS*.  trans-69.5134.6-174.5-168.7177.5-176.400112G41 I45G41-E43 VanDerWaalsContact C-N 3.32Å; G41-E43 PolarHBondContact O-N 2.89Å; E43-I45 PolarHBondContact O-N 3.21Å
44Q68.6Low60.2Low80 Ų8060.3 Ų60.337%0.37436%0.361SS..BIsolated β-bridgetrans-83.1111.9174.2175.4177.6-50.500109.2Y31 R33 T34Y31-Q44 PolarHBondContact OH-OE1 2.98Å; R33-Q44 HydrophobicContact CG-CB 4.28Å; R33-Q44 HydrophobicContact CG-CG 3.97Å; T34-Q44 WeakPolarHBondContact O-CA 3.2Å
45I73.7Confident63Low65 Ų6561.3 Ų61.333%0.33337%0.366SS..  trans-76.2-41.2-179.4-63.5170000110.9T34 A36 E43 K151T34-I45 HydrophobicContact CG2-CD1 4.45Å; T34-I45 PolarHBondContact O-N 3.21Å; T34-I45 VanDerWaalsContact O-N 3.12Å; A36-I45 HydrophobicContact CB-CD1 3.61Å; A36-I45 HydrophobicContact CB-CG1 4.48Å; E43-I45 PolarHBondContact O-N 3.21Å; I45-K151 HydrophobicContact CD1-CB 3.96Å; I45-K151 HydrophobicContact CD1-CD 4.28Å
46S78.1Confident65.9Low15 Ų1559.9 Ų59.911%0.10536%0.359CS..  trans-159.2151-170.1-172.70000110.9T34 K148 D149T34-S46 PolarHBondContact N-O 3.06Å; S46-K148 WeakPolarHBondContact OG-CB 3.29Å; S46-D149 WeakPolarHBondContact CB-O 3.21Å; S46-D149 PolarHBondContact OG-O 3.07Å; S46-D149 VanDerWaalsContact OG-O 3.12Å
47A76.8Confident68.9Low28 Ų2859.5 Ų59.523%0.23136%0.358CS..  trans-148.9146.817400000111S32S32-A47 WeakPolarHBondContact O-CA 3.31Å; S32-A47 WeakPolarHBondContact O-CB 3.37Å
48I80.2Confident71.8Confident7 Ų752.3 Ų52.34%0.03633%0.327CS..  trans-124.8151.6168.759.4164000109.4S32 E98 L100 K148S32-I48 PolarHBondContact N-O 2.96Å; I48-E98 WeakPolarHBondContact CA-OE2 3.32Å; I48-E98 HydrophobicContact CB-CB 3.77Å; I48-E98 HydrophobicContact CG2-CB 3.7Å; I48-L100 HydrophobicContact CD1-CB 3.69Å; I48-L100 HydrophobicContact CG1-CB 3.98Å; I48-L100 HydrophobicContact CG2-CB 3.98Å; I48-K148 HydrophobicContact CG2-CB 3.77Å; I48-K148 HydrophobicContact CG2-CG 3.29Å
49G82.6Confident75Confident32 Ų3248.9 Ų48.933%0.3330%0.303SS..SBendtrans-82.6-133.6161.700000111.2Y30 G51 E98Y30-G49 CarbonylContact O-C 3.21Å; Y30-G49 WeakPolarHBondContact O-CA 3.3Å; G49-G51 PolarHBondContact O-N 2.61Å; G49-E98 PolarHBondContact N-OE2 2.89Å
50R83.6Confident77.8Confident120 Ų12048.3 Ų48.345%0.45329%0.291SS..SBendtrans-65129.1-179.5-69.1-172.2175.9-161.5-4.6110.4L28 L29 Y97 E98L28-R50 HydrophobicContact CD2-CB 4.18Å; L28-R50 HydrophobicContact CD2-CG 4.37Å; L29-R50 HydrophobicContact CD1-CG 4.46Å; R50-Y97 HydrophobicContact CB-CD1 3.88Å; R50-Y97 HydrophobicContact CB-CD2 3.96Å; R50-Y97 HydrophobicContact CB-CE1 3.81Å; R50-Y97 HydrophobicContact CB-CE2 3.89Å; R50-Y97 HydrophobicContact CB-CG 3.96Å; R50-Y97 WeakPolarHBondContact CD-OH 3.45Å; R50-Y97 PolarHBondContact NH1-OH 3.43Å; R50-Y97 WeakPolarHBondContact O-CA 3.37Å; R50-Y97 WeakPolarHBondContact O-CB 3.31Å; R50-E98 PolarHBondContact O-N 3.4Å
51G87.3Confident80.7Confident3 Ų347.3 Ų47.33%0.03128%0.276CS..EExtended strand (participates in β ladder)trans175.5-166.8-166.100000114.7G49 E98G49-G51 PolarHBondContact O-N 2.61Å; G51-E98 CarbonylContact C-O 3.52Å; G51-E98 WeakPolarHBondContact CA-O 3.39Å
52I87.1Confident82.8Confident31 Ų3145.2 Ų45.216%0.15925%0.248CC..EExtended strand (participates in β ladder)trans-120.6140.1170.157177.9000109.9V54 I74 V79 F80 V92 E98 I99 L100I52-V54 HydrophobicContact CD1-CG2 4.17Å; I52-V54 HydrophobicContact CG1-CG2 4.31Å; I52-I74 HydrophobicContact CD1-CG2 3.56Å; I52-V79 HydrophobicContact CG2-CG2 4.25Å; I52-F80 HydrophobicContact CG2-CE2 4.21Å; I52-F80 HydrophobicContact CG2-CZ 3.66Å; I52-V92 HydrophobicContact CD1-CB 4.28Å; I52-V92 HydrophobicContact CD1-CG1 4.18Å; I52-V92 HydrophobicContact CD1-CG2 4.48Å; I52-V92 HydrophobicContact CG1-CG2 4.28Å; I52-E98 PolarHBondContact N-O 2.81Å; I52-I99 HydrophobicContact CD1-CD1 4.15Å; I52-I99 HydrophobicContact CD1-CG1 4.1Å; I52-I99 HydrophobicContact CD1-CG2 4.46Å; I52-I99 HydrophobicContact CG1-CB 4.28Å; I52-I99 HydrophobicContact CG1-CD1 4.39Å; I52-I99 HydrophobicContact CG1-CG1 3.8Å; I52-I99 HydrophobicContact CG1-CG2 4.1Å; I52-I99 WeakPolarHBondContact O-CA 3.48Å; I52-L100 PolarHBondContact O-N 3.01Å
53C89.3Confident84.5Confident27 Ų2747.1 Ų47.118%0.18225%0.253CS..EExtended strand (participates in β ladder)trans-97.7124.1166.5-175.90000108.2L100C53-L100 CarbonylContact C-O 3.21Å; C53-L100 WeakPolarHBondContact CA-O 3.32Å
54V90Very high85.8Confident18 Ų1844.1 Ų44.111%0.10924%0.239CC..EExtended strand (participates in β ladder)trans-108.7113.2-179.7-179.90000108.4I52 L56 I74 I99 L100 C101 V102I52-V54 HydrophobicContact CD1-CG2 4.17Å; I52-V54 HydrophobicContact CG1-CG2 4.31Å; V54-L56 HydrophobicContact CG1-CB 4.48Å; V54-I74 HydrophobicContact CG1-CD1 3.91Å; V54-I74 HydrophobicContact CG2-CD1 4.31Å; V54-I74 HydrophobicContact CG2-CG2 4.13Å; V54-I99 HydrophobicContact CG2-CG2 3.95Å; V54-L100 PolarHBondContact N-O 2.9Å; V54-C101 WeakPolarHBondContact O-CA 2.96Å; V54-V102 PolarHBondContact O-N 3.23Å
55L91.9Very high86.8Confident21 Ų2146.7 Ų46.711%0.1125%0.249CC..EExtended strand (participates in β ladder)trans-88.3112.4165.6-58.1-177.7000107.5V15 V102 Q104 L107V15-L55 HydrophobicContact CG1-CD1 3.51Å; L55-V102 WeakPolarHBondContact CA-O 3.48Å; L55-V102 HydrophobicContact CD2-CB 3.98Å; L55-V102 HydrophobicContact CD2-CG1 4.46Å; L55-Q104 HydrophobicContact CB-CB 3.99Å; L55-Q104 HydrophobicContact CB-CG 4.35Å; L55-L107 HydrophobicContact CB-CD1 4.01Å; L55-L107 VanDerWaalsContact O-CD1 3.3Å; L55-L107 WeakPolarHBondContact O-CD1 3.17Å
56L91.8Very high87.5Confident19 Ų1944.2 Ų44.210%0.09924%0.236CC..EExtended strand (participates in β ladder)trans-104.3112.6-173.5-16973.1000111V54 I58 M70 V102 Q104 Y131 F134V54-L56 HydrophobicContact CG1-CB 4.48Å; L56-I58 HydrophobicContact CD2-CD1 4.26Å; L56-I58 HydrophobicContact CD2-CG1 4.1Å; L56-I58 HydrophobicContact CG-CG1 4.22Å; L56-M70 HydrophobicContact CD1-CG 4.41Å; L56-V102 PolarHBondContact N-O 3.33Å; L56-Q104 PolarHBondContact O-N 3.37Å; L56-Y131 HydrophobicContact CB-CE2 4.46Å; L56-Y131 HydrophobicContact CD2-CD2 3.88Å; L56-Y131 HydrophobicContact CD2-CE2 4.22Å; L56-F134 HydrophobicContact CD1-CE1 4.39Å; L56-F134 HydrophobicContact CD1-CE2 4.13Å; L56-F134 HydrophobicContact CD1-CZ 4.01Å; L56-F134 HydrophobicContact CD2-CB 4.28Å; L56-F134 HydrophobicContact CD2-CD1 3.51Å; L56-F134 HydrophobicContact CD2-CD2 4.05Å; L56-F134 HydrophobicContact CD2-CE1 3.72Å; L56-F134 HydrophobicContact CD2-CE2 4.25Å; L56-F134 HydrophobicContact CD2-CG 3.68Å; L56-F134 HydrophobicContact CD2-CZ 4.09Å
57G92Very high88.2Confident16 Ų1643.6 Ų43.617%0.16523%0.232CC..  trans-96125.4168.600000110Q104 Q108G57-Q104 WeakPolarHBondContact CA-O 3.43Å; G57-Q108 PolarHBondContact O-NE2 3.09Å
58I91.9Very high88.9Confident10 Ų1045.8 Ų45.85%0.05124%0.237CC..  trans-107.4121.3179.9-55.3165.3000108L56 D62 M122 F130 Y131L56-I58 HydrophobicContact CD2-CD1 4.26Å; L56-I58 HydrophobicContact CD2-CG1 4.1Å; L56-I58 HydrophobicContact CG-CG1 4.22Å; I58-D62 WeakPolarHBondContact CA-OD2 2.88Å; I58-D62 HydrophobicContact CG2-CB 4.13Å; I58-M122 HydrophobicContact CB-CB 4.37Å; I58-M122 HydrophobicContact CG2-CB 3.92Å; I58-M122 HydrophobicContact CG2-CE 3.68Å; I58-M122 HydrophobicContact CG2-CG 4.49Å; I58-M122 HydrophobicContact CG2-SD 3.81Å; I58-M122 PolarHBondContact O-N 2.89Å; I58-F130 HydrophobicContact CD1-CB 4.3Å; I58-F130 HydrophobicContact CD1-CD1 3.84Å; I58-F130 HydrophobicContact CD1-CG 4.45Å; I58-F130 HydrophobicContact CG1-CD1 4.15Å; I58-F130 HydrophobicContact CG2-CB 4.47Å; I58-F130 HydrophobicContact CG2-CD1 3.73Å; I58-F130 HydrophobicContact CG2-CE1 4.03Å; I58-F130 HydrophobicContact CG2-CG 4Å; I58-Y131 HydrophobicContact CD1-CD2 4.44Å
59S92.9Very high89.3Confident20 Ų2047.6 Ų47.614%0.1425%0.246CC..BIsolated β-bridgetrans-80.3153.6176.5175.30000111.4E61 D62 L120 M122S59-E61 PolarHBondContact O-N 3.19Å; S59-E61 VanDerWaalsContact O-N 3.17Å; S59-E61 PolarHBondContact OG-N 2.89Å; S59-D62 PolarHBondContact N-OD2 3.34Å; S59-D62 WeakPolarHBondContact O-CB 2.99Å; S59-D62 PolarHBondContact O-N 2.6Å; S59-D62 VanDerWaalsContact O-N 3.15Å; S59-L120 CarbonylContact C-O 3.59Å; S59-L120 WeakPolarHBondContact CA-O 3.48Å; S59-L120 PolarHBondContact OG-O 3.32Å; S59-M122 WeakPolarHBondContact O-CE 3.42Å
60L88Confident89.7Confident98 Ų9847.1 Ų47.151%0.51324%0.235SC..THydrogen-bonded Turntrans-53.1-31.3170.6-172.183.1000112.5L120 P123L60-L120 PolarHBondContact N-O 3.1Å; L60-P123 HydrophobicContact CD1-CG 4.29Å
61E88.7Confident90.2Very high128 Ų12841.5 Ų41.560%0.59821%0.214SC*.THydrogen-bonded Turntrans-93.4-2.6-175.9-60.5-174.717500113.7S59 T63S59-E61 PolarHBondContact O-N 3.19Å; S59-E61 VanDerWaalsContact O-N 3.17Å; S59-E61 PolarHBondContact OG-N 2.89Å; E61-T63 PolarHBondContact O-N 3.08Å
62D86.9Confident90.5Very high30 Ų3047.2 Ų47.216%0.1623%0.234CC..  trans-66.3133.1-179.2-82.3-37.1000111.1I58 S59 F130I58-D62 WeakPolarHBondContact CA-OD2 2.88Å; I58-D62 HydrophobicContact CG2-CB 4.13Å; S59-D62 PolarHBondContact N-OD2 3.34Å; S59-D62 WeakPolarHBondContact O-CB 2.99Å; S59-D62 PolarHBondContact O-N 2.6Å; S59-D62 VanDerWaalsContact O-N 3.15Å; D62-F130 HydrophobicContact CB-CE1 4.37Å; D62-F130 HydrophobicContact CB-CE2 4.1Å; D62-F130 HydrophobicContact CB-CZ 3.73Å; D62-F130 WeakPolarHBondContact O-CE2 3.04Å
63T90.6Very high90.7Very high70 Ų7049.4 Ų49.443%0.42924%0.243SC..  trans-118177.5176.186.90000110.9E61 K65 E66 L67 F130E61-T63 PolarHBondContact O-N 3.08Å; T63-K65 PolarHBondContact O-N 3.03Å; T63-K65 VanDerWaalsContact O-N 3.11Å; T63-K65 PolarHBondContact OG1-N 2.92Å; T63-E66 VanDerWaalsContact CA-OE2 3.27Å; T63-E66 WeakPolarHBondContact CA-OE2 2.94Å; T63-E66 WeakPolarHBondContact CB-OE2 3.09Å; T63-E66 PolarHBondContact N-OE2 2.9Å; T63-E66 PolarHBondContact O-N 3.35Å; T63-E66 VanDerWaalsContact O-N 3.12Å; T63-E66 PolarHBondContact OG1-OE2 3.39Å; T63-L67 PolarHBondContact O-N 2.99Å; T63-L67 VanDerWaalsContact O-N 3.11Å; T63-F130 WeakPolarHBondContact O-CZ 3.33Å
64Q90.3Very high90.8Very high89 Ų8948.4 Ų48.442%0.41624%0.236SC..Hα-helixtrans-54-30.7174.5-1735938.500112.7L67 E68Q64-L67 WeakPolarHBondContact O-CB 3.41Å; Q64-E68 WeakPolarHBondContact O-CG 3.46Å; Q64-E68 PolarHBondContact O-N 2.95Å
65K89.2Confident91.1Very high133 Ų13347.6 Ų47.658%0.57823%0.231SC*.Hα-helixtrans-66.7-43.9179.2-177.8-173.6172.2-163.90111.9T63 H69T63-K65 PolarHBondContact O-N 3.03Å; T63-K65 VanDerWaalsContact O-N 3.11Å; T63-K65 PolarHBondContact OG1-N 2.92Å; K65-H69 WeakPolarHBondContact O-CB 3.34Å; K65-H69 PolarHBondContact O-N 3.43Å
66E89Confident91.2Very high13 Ų1351 Ų516%0.06125%0.249CC..Hα-helixtrans-67.9-40.9178.8-69.465.2-133.300110T63 H69 M70T63-E66 VanDerWaalsContact CA-OE2 3.27Å; T63-E66 WeakPolarHBondContact CA-OE2 2.94Å; T63-E66 WeakPolarHBondContact CB-OE2 3.09Å; T63-E66 PolarHBondContact N-OE2 2.9Å; T63-E66 PolarHBondContact O-N 3.35Å; T63-E66 VanDerWaalsContact O-N 3.12Å; T63-E66 PolarHBondContact OG1-OE2 3.39Å; E66-H69 PolarHBondContact O-N 3.28Å; E66-M70 WeakPolarHBondContact O-CB 3.4Å; E66-M70 PolarHBondContact O-N 3.39Å
67L92.4Very high91.2Very high3 Ų352.5 Ų52.52%0.01626%0.257CS..Hα-helixtrans-54.4-56.3172-175.1164.6000111.2T63 Q64 H69 M70 V71 F130 F134 Q137T63-L67 PolarHBondContact O-N 2.99Å; T63-L67 VanDerWaalsContact O-N 3.11Å; Q64-L67 WeakPolarHBondContact O-CB 3.41Å; L67-H69 VanDerWaalsContact C-N 3.29Å; L67-H69 PolarHBondContact O-N 3.46Å; L67-M70 PolarHBondContact O-N 3.37Å; L67-V71 HydrophobicContact CD2-CG2 4.14Å; L67-V71 WeakPolarHBondContact O-CG2 3.43Å; L67-V71 PolarHBondContact O-N 3.35Å; L67-F130 HydrophobicContact CB-CE1 3.92Å; L67-F130 HydrophobicContact CB-CZ 3.79Å; L67-F130 HydrophobicContact CD1-CD1 4.18Å; L67-F130 HydrophobicContact CD1-CE1 3.83Å; L67-F130 HydrophobicContact CD1-CZ 4.07Å; L67-F130 HydrophobicContact CG-CE1 4.15Å; L67-F130 HydrophobicContact CG-CZ 4.42Å; L67-F134 HydrophobicContact CD1-CB 4.09Å; L67-F134 HydrophobicContact CG-CB 4.02Å; L67-F134 HydrophobicContact CG-CD2 4.16Å; L67-Q137 HydrophobicContact CD2-CB 3.77Å; L67-Q137 HydrophobicContact CD2-CG 3.89Å
68E91.3Very high91.2Very high74 Ų7459 Ų5935%0.34628%0.276SS..Hα-helixtrans-62.1-37.4179.6-73.7178.4-163.900112.7Q64 R72Q64-E68 WeakPolarHBondContact O-CG 3.46Å; Q64-E68 PolarHBondContact O-N 2.95Å; E68-R72 WeakPolarHBondContact O-CG 3.45Å; E68-R72 PolarHBondContact O-N 3.41Å; E68-R72 VanDerWaalsContact O-N 3.1Å; E68-R72 IonicContact OE2-NH1 3.94Å
69H88.4Confident90.9Very high45 Ų4559.8 Ų59.821%0.20828%0.281CS..Hα-helixtrans-62.5-46.6175.6-179.588000111.3K65 E66 L67 R72 K73 P173K65-H69 WeakPolarHBondContact O-CB 3.34Å; K65-H69 PolarHBondContact O-N 3.43Å; E66-H69 PolarHBondContact O-N 3.28Å; L67-H69 VanDerWaalsContact C-N 3.29Å; L67-H69 PolarHBondContact O-N 3.46Å; H69-R72 PolarHBondContact O-N 3.05Å; H69-K73 VanDerWaalsContact NE2-CD 3.27Å; H69-K73 WeakPolarHBondContact NE2-CD 3.43Å; H69-K73 WeakPolarHBondContact NE2-CE 3.45Å; H69-K73 PolarHBondContact NE2-NZ 3.06Å; H69-K73 PolarHBondContact O-N 3.17Å; H69-P173 WeakPolarHBondContact NE2-CD 3.4Å
70M91.3Very high90.5Very high22 Ų2259.4 Ų59.411%0.10828%0.277CS..Hα-helixtrans-65.4-43.2-178.9-169.156.371.700111.4L56 E66 L67 R72 K73 I74 F134 L170L56-M70 HydrophobicContact CD1-CG 4.41Å; E66-M70 WeakPolarHBondContact O-CB 3.4Å; E66-M70 PolarHBondContact O-N 3.39Å; L67-M70 PolarHBondContact O-N 3.37Å; M70-R72 PolarHBondContact O-N 2.71Å; M70-K73 PolarHBondContact O-N 2.89Å; M70-I74 HydrophobicContact CG-CD1 3.72Å; M70-I74 HydrophobicContact CG-CG1 4.31Å; M70-I74 WeakPolarHBondContact O-CB 3.31Å; M70-I74 WeakPolarHBondContact O-CG1 3.1Å; M70-I74 PolarHBondContact O-N 3.03Å; M70-I74 HydrophobicContact SD-CD1 4.16Å; M70-I74 HydrophobicContact SD-CG1 4.21Å; M70-F134 HydrophobicContact CB-CE2 4.28Å; M70-F134 HydrophobicContact CG-CE2 4.1Å; M70-L170 HydrophobicContact CE-CB 4.06Å; M70-L170 HydrophobicContact SD-CB 3.78Å; M70-L170 HydrophobicContact SD-CD1 4.11Å
71V94Very high90.5Very high2 Ų257.7 Ų57.71%0.01227%0.267CS..Hα-helixtrans-55.6-49.8173.6169.80000111L67 K73 I74 L75 F134 Q137 L138L67-V71 HydrophobicContact CD2-CG2 4.14Å; L67-V71 WeakPolarHBondContact O-CG2 3.43Å; L67-V71 PolarHBondContact O-N 3.35Å; V71-K73 VanDerWaalsContact C-N 3.34Å; V71-K73 PolarHBondContact O-N 3.08Å; V71-I74 PolarHBondContact O-N 3.48Å; V71-L75 HydrophobicContact CG1-CD1 3.88Å; V71-L75 HydrophobicContact CG1-CG 4.45Å; V71-L75 WeakPolarHBondContact O-CB 3.41Å; V71-L75 VanDerWaalsContact O-CG 3.32Å; V71-L75 WeakPolarHBondContact O-CG 3.49Å; V71-L75 PolarHBondContact O-N 3.34Å; V71-L75 VanDerWaalsContact O-N 3.07Å; V71-F134 HydrophobicContact CG2-CD2 3.76Å; V71-F134 HydrophobicContact CG2-CE2 3.69Å; V71-Q137 HydrophobicContact CB-CG 4.37Å; V71-Q137 HydrophobicContact CG1-CG 4.22Å; V71-Q137 HydrophobicContact CG2-CB 4.17Å; V71-Q137 HydrophobicContact CG2-CG 4Å; V71-L138 HydrophobicContact CB-CD2 4.5Å; V71-L138 HydrophobicContact CG1-CD2 4Å; V71-L138 HydrophobicContact CG1-CG 4.41Å; V71-L138 HydrophobicContact CG2-CD2 4.33Å; V71-L138 HydrophobicContact CG2-CG 4.1Å
72R94.4Very high90.5Very high122 Ų12253.2 Ų53.246%0.4625%0.247SC..Hα-helixtrans-60.8-42.5177.8-74.4-174-63.6-100.7-3.4112E68 H69 M70 N76E68-R72 WeakPolarHBondContact O-CG 3.45Å; E68-R72 PolarHBondContact O-N 3.41Å; E68-R72 VanDerWaalsContact O-N 3.1Å; E68-R72 IonicContact OE2-NH1 3.94Å; H69-R72 PolarHBondContact O-N 3.05Å; M70-R72 PolarHBondContact O-N 2.71Å; R72-N76 WeakPolarHBondContact O-CB 2.88Å; R72-N76 PolarHBondContact O-N 3.17Å; R72-N76 PolarHBondContact O-ND2 3.3Å
73K90.2Very high90.7Very high77 Ų7758.8 Ų58.834%0.33527%0.272SS..Hα-helixtrans-62.5-52.1178.4-92.7-171.6164.51610111.6H69 M70 V71 L75 N76 L77 L170 E171H69-K73 VanDerWaalsContact NE2-CD 3.27Å; H69-K73 WeakPolarHBondContact NE2-CD 3.43Å; H69-K73 WeakPolarHBondContact NE2-CE 3.45Å; H69-K73 PolarHBondContact NE2-NZ 3.06Å; H69-K73 PolarHBondContact O-N 3.17Å; M70-K73 PolarHBondContact O-N 2.89Å; V71-K73 VanDerWaalsContact C-N 3.34Å; V71-K73 PolarHBondContact O-N 3.08Å; K73-L75 PolarHBondContact O-N 3.14Å; K73-N76 PolarHBondContact O-N 2.79Å; K73-L77 WeakPolarHBondContact O-CB 3.22Å; K73-L77 PolarHBondContact O-N 3.11Å; K73-L170 HydrophobicContact CB-CD1 4.38Å; K73-L170 HydrophobicContact CD-CD2 4.47Å; K73-E171 PolarHBondContact NZ-O 3.12Å
74I92.4Very high90.8Very high6 Ų660.2 Ų60.23%0.03129%0.285CS..Hα-helixtrans-57.1-49.5-178.5-72.2168.2000110.7I52 V54 M70 V71 N76 L77 I99 F134 L170I52-I74 HydrophobicContact CD1-CG2 3.56Å; V54-I74 HydrophobicContact CG1-CD1 3.91Å; V54-I74 HydrophobicContact CG2-CD1 4.31Å; V54-I74 HydrophobicContact CG2-CG2 4.13Å; M70-I74 HydrophobicContact CG-CD1 3.72Å; M70-I74 HydrophobicContact CG-CG1 4.31Å; M70-I74 WeakPolarHBondContact O-CB 3.31Å; M70-I74 WeakPolarHBondContact O-CG1 3.1Å; M70-I74 PolarHBondContact O-N 3.03Å; M70-I74 HydrophobicContact SD-CD1 4.16Å; M70-I74 HydrophobicContact SD-CG1 4.21Å; V71-I74 PolarHBondContact O-N 3.48Å; I74-N76 VanDerWaalsContact C-N 3.32Å; I74-N76 PolarHBondContact O-N 3.16Å; I74-L77 PolarHBondContact O-N 3.19Å; I74-I99 HydrophobicContact CG2-CD1 4.29Å; I74-F134 HydrophobicContact CD1-CE2 4.16Å; I74-F134 HydrophobicContact CD1-CZ 3.67Å; I74-L170 HydrophobicContact CG1-CD1 3.96Å
75L95.6Very high90.7Very high1 Ų157.6 Ų57.61%0.00528%0.282CS..Hα-helixtrans-66.9-32.5-175.7-69.7-178.5000113.3V71 K73 S91 V92 M93 I99 L138 T141 Y142V71-L75 HydrophobicContact CG1-CD1 3.88Å; V71-L75 HydrophobicContact CG1-CG 4.45Å; V71-L75 WeakPolarHBondContact O-CB 3.41Å; V71-L75 VanDerWaalsContact O-CG 3.32Å; V71-L75 WeakPolarHBondContact O-CG 3.49Å; V71-L75 PolarHBondContact O-N 3.34Å; V71-L75 VanDerWaalsContact O-N 3.07Å; K73-L75 PolarHBondContact O-N 3.14Å; L75-S91 VanDerWaalsContact O-CB 3.3Å; L75-S91 WeakPolarHBondContact O-CB 3.38Å; L75-S91 PolarHBondContact O-OG 3.45Å; L75-V92 HydrophobicContact CD2-CG1 4.24Å; L75-M93 HydrophobicContact CB-CE 3.92Å; L75-M93 HydrophobicContact CB-CG 4.01Å; L75-M93 HydrophobicContact CB-SD 3.78Å; L75-M93 HydrophobicContact CD1-SD 4.23Å; L75-M93 HydrophobicContact CD2-CG 4.18Å; L75-M93 HydrophobicContact CG-SD 4.4Å; L75-M93 WeakPolarHBondContact O-CE 3.1Å; L75-M93 WeakPolarHBondContact O-CG 3.47Å; L75-I99 HydrophobicContact CD2-CD1 3.56Å; L75-L138 HydrophobicContact CD1-CD2 4.29Å; L75-L138 HydrophobicContact CD2-CD2 3.86Å; L75-L138 HydrophobicContact CG-CD2 3.94Å; L75-T141 HydrophobicContact CD1-CG2 3.52Å; L75-Y142 HydrophobicContact CD2-CD1 4.05Å; L75-Y142 HydrophobicContact CD2-CG 3.97Å
76N94.8Very high90.7Very high93 Ų9357.6 Ų57.650%0.49728%0.282SS..Hα-helixtrans-98.3-0.9-178-67.2-77.8000113.6R72 K73 I74 R78 M93R72-N76 WeakPolarHBondContact O-CB 2.88Å; R72-N76 PolarHBondContact O-N 3.17Å; R72-N76 PolarHBondContact O-ND2 3.3Å; K73-N76 PolarHBondContact O-N 2.79Å; I74-N76 VanDerWaalsContact C-N 3.32Å; I74-N76 PolarHBondContact O-N 3.16Å; N76-R78 PolarHBondContact O-N 3.22Å; N76-M93 VanDerWaalsContact OD1-CE 3.23Å; N76-M93 WeakPolarHBondContact OD1-CE 3.38Å
77L91.4Very high90.6Very high50 Ų5061.8 Ų61.826%0.26230%0.301SS..  trans-64.7119-177.6-175.768.3000109.9K73 I74 V79 S91 I168 L170K73-L77 WeakPolarHBondContact O-CB 3.22Å; K73-L77 PolarHBondContact O-N 3.11Å; I74-L77 PolarHBondContact O-N 3.19Å; L77-V79 HydrophobicContact CD2-CG1 3.66Å; L77-V79 HydrophobicContact CG-CG1 3.74Å; L77-V79 PolarHBondContact O-N 3.5Å; L77-S91 VanDerWaalsContact O-CA 3.25Å; L77-S91 WeakPolarHBondContact O-CA 3.42Å; L77-S91 WeakPolarHBondContact O-CB 3.47Å; L77-I168 HydrophobicContact CD1-CG2 4.3Å; L77-I168 HydrophobicContact CD2-CB 4.11Å; L77-I168 HydrophobicContact CD2-CG1 4.19Å; L77-I168 HydrophobicContact CD2-CG2 4.03Å; L77-L170 HydrophobicContact CD1-CD2 4.46Å; L77-L170 HydrophobicContact CD2-CD1 4.39Å
78R91.5Very high90.4Very high153 Ų15367.4 Ų67.458%0.57732%0.322SS*.  trans-87.288.3-177.9-64.1-178.5173.8-155.2-4111N76 W88 S89 K90N76-R78 PolarHBondContact O-N 3.22Å; R78-W88 WeakPolarHBondContact CB-O 3.44Å; R78-W88 WeakPolarHBondContact O-CA 3.48Å; R78-S89 WeakPolarHBondContact CD-O 3.28Å; R78-K90 CarbonylContact C-O 2.67Å; R78-K90 VanDerWaalsContact CA-O 3.31Å; R78-K90 WeakPolarHBondContact CA-O 3.05Å
79V86.1Confident90.4Very high26 Ų2664.6 Ų64.616%0.15831%0.311CS..  trans-112.3-6.6179.8-74.40000113.3I52 L77 W88 K90 V166 I168I52-V79 HydrophobicContact CG2-CG2 4.25Å; L77-V79 HydrophobicContact CD2-CG1 3.66Å; L77-V79 HydrophobicContact CG-CG1 3.74Å; L77-V79 PolarHBondContact O-N 3.5Å; V79-W88 HydrophobicContact CG1-CZ3 4.27Å; V79-K90 PolarHBondContact N-O 2.71Å; V79-K90 VanDerWaalsContact N-O 3.16Å; V79-V166 HydrophobicContact CB-CG1 4.42Å; V79-V166 HydrophobicContact CG1-CG1 4.11Å; V79-I168 HydrophobicContact CG1-CG1 3.9Å
80F84.9Confident90.6Very high12 Ų1265.2 Ų65.25%0.05331%0.313CS..BIsolated β-bridgetrans-106.7156.2-177.4-53.9-69.5000112.3L28 I52 S89 K90 V92 K95 Y97L28-F80 HydrophobicContact CD1-CD1 4.41Å; L28-F80 HydrophobicContact CD1-CE1 3.71Å; L28-F80 HydrophobicContact CD2-CD1 3.64Å; L28-F80 HydrophobicContact CD2-CE1 3.33Å; L28-F80 HydrophobicContact CD2-CZ 4.45Å; L28-F80 HydrophobicContact CG-CD1 4.4Å; L28-F80 HydrophobicContact CG-CE1 4.02Å; I52-F80 HydrophobicContact CG2-CE2 4.21Å; I52-F80 HydrophobicContact CG2-CZ 3.66Å; F80-S89 PolarHBondContact O-N 3.19Å; F80-K90 HydrophobicContact CB-CB 4.07Å; F80-K90 WeakPolarHBondContact CB-O 3.23Å; F80-K90 PolarHBondContact N-O 3.45Å; F80-K90 PolarHBondContact O-N 3.21Å; F80-V92 VanDerWaalsContact CE2-CA 3.47Å; F80-V92 HydrophobicContact CE2-CB 3.84Å; F80-V92 HydrophobicContact CE2-CG2 4.36Å; F80-K95 HydrophobicContact CB-CD 4.34Å; F80-K95 HydrophobicContact CB-CG 3.78Å; F80-K95 HydrophobicContact CD2-CG 4.05Å; F80-K95 HydrophobicContact CG-CG 4.01Å; F80-Y97 HydrophobicContact CD1-CD2 4.11Å; F80-Y97 HydrophobicContact CD1-CE2 4.12Å; F80-Y97 HydrophobicContact CD2-CD2 4.46Å; F80-Y97 AromaticContact CE1-CD2 3.87Å; F80-Y97 HydrophobicContact CE1-CD2 3.87Å; F80-Y97 HydrophobicContact CE1-CE2 4.24Å; F80-Y97 HydrophobicContact CE2-CD2 4.26Å; F80-Y97 HydrophobicContact CG-CD2 4.38Å; F80-Y97 HydrophobicContact CG-CE2 4.47Å; F80-Y97 AromaticContact CZ-CD2 3.92Å; F80-Y97 HydrophobicContact CZ-CD2 3.92Å
81E87.2Confident90.8Very high63 Ų6364.2 Ų64.229%0.29431%0.308SS..  trans-75.4148.5172.7-70166.4-151.400112S27 K86 H87 K95S27-E81 PolarHBondContact OG-OE1 3.32Å; E81-K86 VanDerWaalsContact CA-O 3.29Å; E81-K86 WeakPolarHBondContact CA-O 3.19Å; E81-H87 IonicContact OE1-CE1 2.98Å; E81-H87 PolarHBondContact OE1-CE1 3.18Å; E81-H87 IonicContact OE1-ND1 2.98Å; E81-H87 PolarHBondContact OE1-ND1 2.95Å; E81-K95 PolarHBondContact O-NZ 2.99Å; E81-K95 VanDerWaalsContact O-NZ 3.08Å
82D89.6Confident90.6Very high34 Ų3464.2 Ų64.218%0.18231%0.308CS..  trans-79.4-178.9164.871.917.5000112S84 G85 K86 K90D82-S84 PolarHBondContact O-N 3.02Å; D82-S84 WeakPolarHBondContact OD1-CA 3.32Å; D82-S84 WeakPolarHBondContact OD1-CB 3.49Å; D82-S84 PolarHBondContact OD1-N 2.83Å; D82-S84 PolarHBondContact OD1-OG 3.12Å; D82-S84 PolarHBondContact OD2-OG 3.28Å; D82-G85 PolarHBondContact O-N 3.12Å; D82-G85 PolarHBondContact OD1-N 3.2Å; D82-K86 PolarHBondContact N-O 3.48Å; D82-K86 VanDerWaalsContact OD1-CB 3.31Å; D82-K86 WeakPolarHBondContact OD1-CB 3.3Å; D82-K86 PolarHBondContact OD1-N 2.86Å; D82-K86 WeakPolarHBondContact OD2-CB 3.41Å; D82-K90 HydrophobicContact CB-CD 4.32Å; D82-K90 VanDerWaalsContact CB-CE 3.47Å; D82-K90 HydrophobicContact CB-CG 3.93Å
83E91.1Very high90.7Very high147 Ų14760.9 Ų60.969%0.68730%0.298SS*.THydrogen-bonded Turntrans-66-17.4-177.2-63.764.6-137.200112.9K90 K95E83-K90 WeakPolarHBondContact OE2-CE 3.39Å; E83-K90 IonicContact OE2-NZ 2.69Å; E83-K90 PolarHBondContact OE2-NZ 3.06Å; E83-K95 IonicContact OE1-NZ 3.55Å
84S92.3Very high91Very high99 Ų9961.3 Ų61.369%0.69230%0.304SS*.THydrogen-bonded Turntrans-91.10.5175.572.90000113.4D82 K86D82-S84 PolarHBondContact O-N 3.02Å; D82-S84 WeakPolarHBondContact OD1-CA 3.32Å; D82-S84 WeakPolarHBondContact OD1-CB 3.49Å; D82-S84 PolarHBondContact OD1-N 2.83Å; D82-S84 PolarHBondContact OD1-OG 3.12Å; D82-S84 PolarHBondContact OD2-OG 3.28Å; S84-K86 VanDerWaalsContact C-N 3.35Å
85G87.7Confident90.9Very high34 Ų3463.4 Ų63.435%0.35131%0.313SS..  trans80.613.4-175.100000113.6D82 H87D82-G85 PolarHBondContact O-N 3.12Å; D82-G85 PolarHBondContact OD1-N 3.2Å; G85-H87 PolarHBondContact O-N 2.76Å
86K89Confident90.9Very high133 Ų13368.7 Ų68.758%0.57834%0.338SS*.  trans-75.7115179.7-172-174.6172.6178.40110.3E81 D82 S84 S89E81-K86 VanDerWaalsContact CA-O 3.29Å; E81-K86 WeakPolarHBondContact CA-O 3.19Å; D82-K86 PolarHBondContact N-O 3.48Å; D82-K86 VanDerWaalsContact OD1-CB 3.31Å; D82-K86 WeakPolarHBondContact OD1-CB 3.3Å; D82-K86 PolarHBondContact OD1-N 2.86Å; D82-K86 WeakPolarHBondContact OD2-CB 3.41Å; S84-K86 VanDerWaalsContact C-N 3.35Å; K86-S89 WeakPolarHBondContact CD-OG 3.29Å; K86-S89 WeakPolarHBondContact CG-OG 3.31Å; K86-S89 WeakPolarHBondContact O-CB 3.25Å; K86-S89 PolarHBondContact O-OG 2.94Å; K86-S89 VanDerWaalsContact O-OG 3.07Å
87H87.8Confident90.8Very high101 Ų10166.1 Ų66.147%0.46832%0.322SS..THydrogen-bonded Turntrans-58.8158.7176.1-55.9-72.2000113.2E81 G85 S89E81-H87 IonicContact OE1-CE1 2.98Å; E81-H87 PolarHBondContact OE1-CE1 3.18Å; E81-H87 IonicContact OE1-ND1 2.98Å; E81-H87 PolarHBondContact OE1-ND1 2.95Å; G85-H87 PolarHBondContact O-N 2.76Å; H87-S89 PolarHBondContact O-N 2.76Å; H87-S89 PolarHBondContact O-OG 2.85Å
88W88.1Confident90.7Very high121 Ų12165.8 Ų65.846%0.45832%0.319SS..THydrogen-bonded Turntrans5732.3173.4-40.8112.2000114.8V24 R78 V79 V166V24-W88 HydrophobicContact CG1-CZ2 4.42Å; R78-W88 WeakPolarHBondContact CB-O 3.44Å; R78-W88 WeakPolarHBondContact O-CA 3.48Å; V79-W88 HydrophobicContact CG1-CZ3 4.27Å; W88-V166 HydrophobicContact CH2-CB 4.5Å; W88-V166 HydrophobicContact CH2-CG1 3.86Å; W88-V166 HydrophobicContact CH2-CG2 3.86Å; W88-V166 HydrophobicContact CZ3-CG1 3.73Å; W88-V166 HydrophobicContact CZ3-CG2 4.23Å
89S91.8Very high90.7Very high16 Ų1658.5 Ų58.511%0.11229%0.291CS..  trans-111.6-32.4-168.4-670000113.7R78 F80 K86 H87R78-S89 WeakPolarHBondContact CD-O 3.28Å; F80-S89 PolarHBondContact O-N 3.19Å; K86-S89 WeakPolarHBondContact CD-OG 3.29Å; K86-S89 WeakPolarHBondContact CG-OG 3.31Å; K86-S89 WeakPolarHBondContact O-CB 3.25Å; K86-S89 PolarHBondContact O-OG 2.94Å; K86-S89 VanDerWaalsContact O-OG 3.07Å; H87-S89 PolarHBondContact O-N 2.76Å; H87-S89 PolarHBondContact O-OG 2.85Å
90K92.5Very high90.9Very high57 Ų5757.3 Ų57.325%0.24828%0.284CS..BIsolated β-bridgetrans-120.6143.5-174.4-60.8-69.5-173.5162.80111.2R78 V79 F80 D82 E83 D94 K95R78-K90 CarbonylContact C-O 2.67Å; R78-K90 VanDerWaalsContact CA-O 3.31Å; R78-K90 WeakPolarHBondContact CA-O 3.05Å; V79-K90 PolarHBondContact N-O 2.71Å; V79-K90 VanDerWaalsContact N-O 3.16Å; F80-K90 HydrophobicContact CB-CB 4.07Å; F80-K90 WeakPolarHBondContact CB-O 3.23Å; F80-K90 PolarHBondContact N-O 3.45Å; F80-K90 PolarHBondContact O-N 3.21Å; D82-K90 HydrophobicContact CB-CD 4.32Å; D82-K90 VanDerWaalsContact CB-CE 3.47Å; D82-K90 HydrophobicContact CB-CG 3.93Å; E83-K90 WeakPolarHBondContact OE2-CE 3.39Å; E83-K90 IonicContact OE2-NZ 2.69Å; E83-K90 PolarHBondContact OE2-NZ 3.06Å; K90-D94 HydrophobicContact CB-CB 4.03Å; K90-D94 HydrophobicContact CD-CB 3.86Å; K90-D94 HydrophobicContact CG-CB 4.49Å; K90-K95 HydrophobicContact CB-CD 3.7Å; K90-K95 HydrophobicContact CB-CG 3.94Å; K90-K95 HydrophobicContact CG-CD 3.95Å
91S94Very high91.2Very high2 Ų256.7 Ų56.71%0.01428%0.281CS..  trans-90.6171.6173.167.70000112.5L75 L77 M93 D94 K95L75-S91 VanDerWaalsContact O-CB 3.3Å; L75-S91 WeakPolarHBondContact O-CB 3.38Å; L75-S91 PolarHBondContact O-OG 3.45Å; L77-S91 VanDerWaalsContact O-CA 3.25Å; L77-S91 WeakPolarHBondContact O-CA 3.42Å; L77-S91 WeakPolarHBondContact O-CB 3.47Å; S91-M93 PolarHBondContact O-N 2.98Å; S91-M93 PolarHBondContact OG-N 2.87Å; S91-D94 WeakPolarHBondContact CB-OD2 3.47Å; S91-D94 PolarHBondContact N-OD2 3.33Å; S91-D94 PolarHBondContact O-N 3.39Å; S91-D94 PolarHBondContact OG-N 3.42Å; S91-D94 PolarHBondContact OG-OD2 3.21Å; S91-K95 PolarHBondContact O-N 3.38Å; S91-K95 VanDerWaalsContact O-N 3.14Å
92V89.5Confident91.2Very high1 Ų153.8 Ų53.81%0.00627%0.267CS..Hα-helixtrans-58.3-37.1174.267.20000111.1I52 L75 F80 K95 Q96 Y97 I99 Y142I52-V92 HydrophobicContact CD1-CB 4.28Å; I52-V92 HydrophobicContact CD1-CG1 4.18Å; I52-V92 HydrophobicContact CD1-CG2 4.48Å; I52-V92 HydrophobicContact CG1-CG2 4.28Å; L75-V92 HydrophobicContact CD2-CG1 4.24Å; F80-V92 VanDerWaalsContact CE2-CA 3.47Å; F80-V92 HydrophobicContact CE2-CB 3.84Å; F80-V92 HydrophobicContact CE2-CG2 4.36Å; V92-K95 PolarHBondContact O-N 3.32Å; V92-Q96 PolarHBondContact O-N 3.18Å; V92-Q96 VanDerWaalsContact O-N 3.11Å; V92-Y97 WeakPolarHBondContact CG2-O 3.41Å; V92-Y97 PolarHBondContact O-N 3.27Å; V92-I99 HydrophobicContact CG1-CD1 3.89Å; V92-I99 HydrophobicContact CG1-CG1 4.37Å; V92-I99 HydrophobicContact CG2-CD1 4.3Å; V92-I99 HydrophobicContact CG2-CG1 3.87Å; V92-Y142 PolarHBondContact O-OH 3.07Å
93M97Very high91.1Very high52 Ų5253.2 Ų53.226%0.25627%0.266SS..Hα-helixtrans-64.2-46.9175-66-164.1-63.500112L75 N76 S91 K95 Q96 Y142L75-M93 HydrophobicContact CB-CE 3.92Å; L75-M93 HydrophobicContact CB-CG 4.01Å; L75-M93 HydrophobicContact CB-SD 3.78Å; L75-M93 HydrophobicContact CD1-SD 4.23Å; L75-M93 HydrophobicContact CD2-CG 4.18Å; L75-M93 HydrophobicContact CG-SD 4.4Å; L75-M93 WeakPolarHBondContact O-CE 3.1Å; L75-M93 WeakPolarHBondContact O-CG 3.47Å; N76-M93 VanDerWaalsContact OD1-CE 3.23Å; N76-M93 WeakPolarHBondContact OD1-CE 3.38Å; S91-M93 PolarHBondContact O-N 2.98Å; S91-M93 PolarHBondContact OG-N 2.87Å; M93-K95 VanDerWaalsContact C-N 3.26Å; M93-K95 PolarHBondContact O-N 2.93Å; M93-Q96 PolarHBondContact O-N 3.29Å; M93-Y142 HydrophobicContact CB-CD2 4.31Å; M93-Y142 HydrophobicContact CB-CE2 3.98Å; M93-Y142 HydrophobicContact CG-CD2 3.62Å; M93-Y142 HydrophobicContact CG-CE2 3.73Å; M93-Y142 HydrophobicContact CG-CG 4.2Å; M93-Y142 HydrophobicContact SD-CD2 4.17Å
94D96.1Very high91.1Very high87 Ų8748.6 Ų48.647%0.46525%0.245SC..Hα-helixtrans-61.5-35.5-178.2-62.4-51.2000112.3K90 S91K90-D94 HydrophobicContact CB-CB 4.03Å; K90-D94 HydrophobicContact CD-CB 3.86Å; K90-D94 HydrophobicContact CG-CB 4.49Å; S91-D94 WeakPolarHBondContact CB-OD2 3.47Å; S91-D94 PolarHBondContact N-OD2 3.33Å; S91-D94 PolarHBondContact O-N 3.39Å; S91-D94 PolarHBondContact OG-N 3.42Å; S91-D94 PolarHBondContact OG-OD2 3.21Å
95K91.1Very high91Very high49 Ų4949.4 Ų49.421%0.21324%0.236CC..Hα-helixtrans-86.5-6.5178.6-57.4-58.3-70.7-163.30113.6F80 E81 E83 K90 S91 V92 M93 Y97F80-K95 HydrophobicContact CB-CD 4.34Å; F80-K95 HydrophobicContact CB-CG 3.78Å; F80-K95 HydrophobicContact CD2-CG 4.05Å; F80-K95 HydrophobicContact CG-CG 4.01Å; E81-K95 PolarHBondContact O-NZ 2.99Å; E81-K95 VanDerWaalsContact O-NZ 3.08Å; E83-K95 IonicContact OE1-NZ 3.55Å; K90-K95 HydrophobicContact CB-CD 3.7Å; K90-K95 HydrophobicContact CB-CG 3.94Å; K90-K95 HydrophobicContact CG-CD 3.95Å; S91-K95 PolarHBondContact O-N 3.38Å; S91-K95 VanDerWaalsContact O-N 3.14Å; V92-K95 PolarHBondContact O-N 3.32Å; M93-K95 VanDerWaalsContact C-N 3.26Å; M93-K95 PolarHBondContact O-N 2.93Å; K95-Y97 HydrophobicContact CB-CD1 3.77Å; K95-Y97 HydrophobicContact CB-CD2 3.5Å; K95-Y97 VanDerWaalsContact CB-CD2 3.5Å; K95-Y97 HydrophobicContact CB-CE1 3.89Å; K95-Y97 HydrophobicContact CB-CE2 3.63Å; K95-Y97 HydrophobicContact CB-CG 3.57Å; K95-Y97 HydrophobicContact CG-CD2 4.1Å; K95-Y97 HydrophobicContact CG-CE2 3.95Å; K95-Y97 VanDerWaalsContact O-CD1 3.23Å; K95-Y97 WeakPolarHBondContact O-CD1 3.32Å; K95-Y97 PolarHBondContact O-N 2.93Å
96Q96.4Very high91Very high112 Ų11249.1 Ų49.152%0.52323%0.228SC..THydrogen-bonded Turntrans55.441.7-173.3-60.1-179.982.400112.1V92 M93 Y142 R143V92-Q96 PolarHBondContact O-N 3.18Å; V92-Q96 VanDerWaalsContact O-N 3.11Å; M93-Q96 PolarHBondContact O-N 3.29Å; Q96-Y142 VanDerWaalsContact C-OH 3.28Å; Q96-Y142 WeakPolarHBondContact CA-OH 3.4Å; Q96-R143 VanDerWaalsContact OE1-NH2 3.12Å
97Y91.3Very high91Very high40 Ų4045 Ų4516%0.15721%0.212CC..  trans-94.9164-176.3-79.1-2.6000112L28 R50 F80 V92 K95 Y142L28-Y97 HydrophobicContact CD2-CD2 4.04Å; L28-Y97 HydrophobicContact CD2-CE2 3.67Å; R50-Y97 HydrophobicContact CB-CD1 3.88Å; R50-Y97 HydrophobicContact CB-CD2 3.96Å; R50-Y97 HydrophobicContact CB-CE1 3.81Å; R50-Y97 HydrophobicContact CB-CE2 3.89Å; R50-Y97 HydrophobicContact CB-CG 3.96Å; R50-Y97 WeakPolarHBondContact CD-OH 3.45Å; R50-Y97 PolarHBondContact NH1-OH 3.43Å; R50-Y97 WeakPolarHBondContact O-CA 3.37Å; R50-Y97 WeakPolarHBondContact O-CB 3.31Å; F80-Y97 HydrophobicContact CD1-CD2 4.11Å; F80-Y97 HydrophobicContact CD1-CE2 4.12Å; F80-Y97 HydrophobicContact CD2-CD2 4.46Å; F80-Y97 AromaticContact CE1-CD2 3.87Å; F80-Y97 HydrophobicContact CE1-CD2 3.87Å; F80-Y97 HydrophobicContact CE1-CE2 4.24Å; F80-Y97 HydrophobicContact CE2-CD2 4.26Å; F80-Y97 HydrophobicContact CG-CD2 4.38Å; F80-Y97 HydrophobicContact CG-CE2 4.47Å; F80-Y97 AromaticContact CZ-CD2 3.92Å; F80-Y97 HydrophobicContact CZ-CD2 3.92Å; V92-Y97 WeakPolarHBondContact CG2-O 3.41Å; V92-Y97 PolarHBondContact O-N 3.27Å; K95-Y97 HydrophobicContact CB-CD1 3.77Å; K95-Y97 HydrophobicContact CB-CD2 3.5Å; K95-Y97 VanDerWaalsContact CB-CD2 3.5Å; K95-Y97 HydrophobicContact CB-CE1 3.89Å; K95-Y97 HydrophobicContact CB-CE2 3.63Å; K95-Y97 HydrophobicContact CB-CG 3.57Å; K95-Y97 HydrophobicContact CG-CD2 4.1Å; K95-Y97 HydrophobicContact CG-CE2 3.95Å; K95-Y97 VanDerWaalsContact O-CD1 3.23Å; K95-Y97 WeakPolarHBondContact O-CD1 3.32Å; K95-Y97 PolarHBondContact O-N 2.93Å; Y97-Y142 PolarHBondContact N-OH 2.76Å; Y97-Y142 VanDerWaalsContact N-OH 3.17Å; Y97-Y142 WeakPolarHBondContact O-CE1 3.37Å; Y97-Y142 PolarHBondContact O-OH 2.78Å
98E90.4Very high91Very high43 Ų4342.5 Ų42.520%0.20120%0.2CC..EExtended strand (participates in β ladder)trans-86.9160.3-174.3-67-180110.200112.6I48 G49 R50 G51 I52 L146 K148I48-E98 WeakPolarHBondContact CA-OE2 3.32Å; I48-E98 HydrophobicContact CB-CB 3.77Å; I48-E98 HydrophobicContact CG2-CB 3.7Å; G49-E98 PolarHBondContact N-OE2 2.89Å; R50-E98 PolarHBondContact O-N 3.4Å; G51-E98 CarbonylContact C-O 3.52Å; G51-E98 WeakPolarHBondContact CA-O 3.39Å; I52-E98 PolarHBondContact N-O 2.81Å; E98-L146 CarbonylContact C-O 2.8Å; E98-L146 WeakPolarHBondContact CA-O 3.17Å; E98-L146 HydrophobicContact CG-CB 4.43Å; E98-L146 HydrophobicContact CG-CD2 3.83Å; E98-K148 WeakPolarHBondContact OE1-CE 3.43Å
99I90.8Very high91.1Very high0 Ų038.5 Ų38.50%019%0.19CC..EExtended strand (participates in β ladder)trans-126.6124.7175-56-176.8000107.8I52 V54 I74 L75 V92 L138 Y142 L146 I147 K148I52-I99 HydrophobicContact CD1-CD1 4.15Å; I52-I99 HydrophobicContact CD1-CG1 4.1Å; I52-I99 HydrophobicContact CD1-CG2 4.46Å; I52-I99 HydrophobicContact CG1-CB 4.28Å; I52-I99 HydrophobicContact CG1-CD1 4.39Å; I52-I99 HydrophobicContact CG1-CG1 3.8Å; I52-I99 HydrophobicContact CG1-CG2 4.1Å; I52-I99 WeakPolarHBondContact O-CA 3.48Å; V54-I99 HydrophobicContact CG2-CG2 3.95Å; I74-I99 HydrophobicContact CG2-CD1 4.29Å; L75-I99 HydrophobicContact CD2-CD1 3.56Å; V92-I99 HydrophobicContact CG1-CD1 3.89Å; V92-I99 HydrophobicContact CG1-CG1 4.37Å; V92-I99 HydrophobicContact CG2-CD1 4.3Å; V92-I99 HydrophobicContact CG2-CG1 3.87Å; I99-L138 HydrophobicContact CD1-CD2 4.42Å; I99-Y142 HydrophobicContact CD1-CD1 4.26Å; I99-L146 PolarHBondContact N-O 2.75Å; I99-I147 HydrophobicContact CB-CD1 3.8Å; I99-I147 HydrophobicContact CD1-CD1 3.73Å; I99-I147 HydrophobicContact CG1-CD1 4Å; I99-K148 PolarHBondContact O-N 3.46Å
100L90.3Very high90.8Very high0 Ų040.1 Ų40.10%020%0.199CC..EExtended strand (participates in β ladder)trans-104.5119.7166.9175.464.5000108.6S32 I48 I52 C53 V54 V102 K148S32-L100 WeakPolarHBondContact OG-CD2 3.22Å; I48-L100 HydrophobicContact CD1-CB 3.69Å; I48-L100 HydrophobicContact CG1-CB 3.98Å; I48-L100 HydrophobicContact CG2-CB 3.98Å; I52-L100 PolarHBondContact O-N 3.01Å; C53-L100 CarbonylContact C-O 3.21Å; C53-L100 WeakPolarHBondContact CA-O 3.32Å; V54-L100 PolarHBondContact N-O 2.9Å; L100-V102 HydrophobicContact CD2-CG2 4.45Å; L100-V102 HydrophobicContact CG-CG2 4.21Å; L100-K148 WeakPolarHBondContact CA-O 2.93Å; L100-K148 HydrophobicContact CD1-CB 3.88Å
101C91Very high90.7Very high0 Ų043 Ų430%022%0.217CC..EExtended strand (participates in β ladder)trans-100.4137.9174.1-66.90000110.5V54 Y131 L135 L138 K148 G150V54-C101 WeakPolarHBondContact O-CA 2.96Å; C101-Y131 HydrophobicContact CB-CE2 4.49Å; C101-Y131 WeakPolarHBondContact CB-OH 3.32Å; C101-Y131 PolarHBondContact O-OH 2.69Å; C101-L135 HydrophobicContact CB-CD2 3.54Å; C101-L138 VanDerWaalsContact SG-CD1 3.53Å; C101-K148 PolarHBondContact N-O 2.99Å; C101-G150 PolarHBondContact O-N 3.09Å
102V87Confident90.5Very high1 Ų149.1 Ų49.11%0.00624%0.243CC..EExtended strand (participates in β ladder)trans-136.1124.7174.3-176.70000108.7V54 L55 L56 L100 Q104 Y131 M156 V158V54-V102 PolarHBondContact O-N 3.23Å; L55-V102 WeakPolarHBondContact CA-O 3.48Å; L55-V102 HydrophobicContact CD2-CB 3.98Å; L55-V102 HydrophobicContact CD2-CG1 4.46Å; L56-V102 PolarHBondContact N-O 3.33Å; L100-V102 HydrophobicContact CD2-CG2 4.45Å; L100-V102 HydrophobicContact CG-CG2 4.21Å; V102-Q104 PolarHBondContact O-N 3.11Å; V102-Y131 PolarHBondContact N-OH 2.67Å; V102-M156 HydrophobicContact CG1-CE 3.66Å; V102-V158 HydrophobicContact CG1-CG2 4.16Å; V102-V158 HydrophobicContact CG2-CG1 4.34Å; V102-V158 HydrophobicContact CG2-CG2 4.29Å
103S88.7Confident90.7Very high23 Ų2352 Ų5216%0.16127%0.273CS..EExtended strand (participates in β ladder)trans-62.6126.4172.358.70000111F152S103-F152 VanDerWaalsContact CB-CD2 3.49Å; S103-F152 WeakPolarHBondContact OG-CD2 3.12Å
104Q91.5Very high90.6Very high49 Ų4957.7 Ų57.723%0.22931%0.305CS..  trans-139.177.2-176.2-167.366.657.600111.3L55 L56 G57 V102 T106 L107L55-Q104 HydrophobicContact CB-CB 3.99Å; L55-Q104 HydrophobicContact CB-CG 4.35Å; L56-Q104 PolarHBondContact O-N 3.37Å; G57-Q104 WeakPolarHBondContact CA-O 3.43Å; V102-Q104 PolarHBondContact O-N 3.11Å; Q104-T106 PolarHBondContact NE2-OG1 2.92Å; Q104-T106 PolarHBondContact O-N 3.18Å; Q104-T106 VanDerWaalsContact O-N 3.1Å; Q104-L107 HydrophobicContact CB-CD1 4.03Å; Q104-L107 HydrophobicContact CB-CG 4.21Å; Q104-L107 HydrophobicContact CG-CD1 4.2Å; Q104-L107 HydrophobicContact CG-CG 3.9Å; Q104-L107 WeakPolarHBondContact O-CB 3.41Å; Q104-L107 PolarHBondContact O-N 2.78Å; Q104-L107 VanDerWaalsContact O-N 3.14Å
105F88.2Confident90.5Very high116 Ų11660.6 Ų60.651%0.50931%0.313SS..G310 helixtrans-59.8-24.4-178.984.6-86000113.3L107 Q108 F118 A121F105-L107 PolarHBondContact O-N 2.8Å; F105-L107 VanDerWaalsContact O-N 3.09Å; F105-Q108 WeakPolarHBondContact O-CB 3.23Å; F105-Q108 PolarHBondContact O-N 2.94Å; F105-F118 HydrophobicContact CD2-CB 4.01Å; F105-F118 HydrophobicContact CD2-CD1 4.19Å; F105-F118 HydrophobicContact CD2-CG 4.01Å; F105-F118 HydrophobicContact CE2-CB 3.9Å; F105-F118 AromaticContact CE2-CD1 3.98Å; F105-F118 HydrophobicContact CE2-CD1 3.98Å; F105-F118 AromaticContact CE2-CD2 3.67Å; F105-F118 HydrophobicContact CE2-CD2 3.67Å; F105-F118 HydrophobicContact CE2-CE1 4.41Å; F105-F118 HydrophobicContact CE2-CE2 4.12Å; F105-F118 AromaticContact CE2-CG 3.58Å; F105-F118 HydrophobicContact CE2-CG 3.58Å; F105-F118 HydrophobicContact CE2-CZ 4.46Å; F105-F118 HydrophobicContact CZ-CD2 4.47Å; F105-A121 HydrophobicContact CB-CB 4.21Å; F105-A121 HydrophobicContact CD2-CB 4.25Å
106T87.9Confident90.5Very high29 Ų2961.3 Ų61.318%0.17832%0.323CS..G310 helixtrans-66.8-9.7179.666.40000113.7Y17 Q104 C109 F118Y17-T106 PolarHBondContact OH-OG1 2.96Å; Q104-T106 PolarHBondContact NE2-OG1 2.92Å; Q104-T106 PolarHBondContact O-N 3.18Å; Q104-T106 VanDerWaalsContact O-N 3.1Å; T106-C109 VanDerWaalsContact O-CB 3.26Å; T106-C109 WeakPolarHBondContact O-CB 3.22Å; T106-F118 HydrophobicContact CG2-CE1 4.02Å; T106-F118 HydrophobicContact CG2-CZ 4.09Å
107L88.9Confident90.3Very high46 Ų4657.6 Ų57.624%0.24131%0.307CS..G310 helixtrans-68.2-26.6168.8-66.8173.7000111.7Y17 L55 Q104 F105 C109Y17-L107 HydrophobicContact CD1-CD2 3.49Å; Y17-L107 VanDerWaalsContact CD1-CD2 3.49Å; Y17-L107 HydrophobicContact CE1-CD2 3.7Å; Y17-L107 HydrophobicContact CG-CD2 4.13Å; L55-L107 HydrophobicContact CB-CD1 4.01Å; L55-L107 VanDerWaalsContact O-CD1 3.3Å; L55-L107 WeakPolarHBondContact O-CD1 3.17Å; Q104-L107 HydrophobicContact CB-CD1 4.03Å; Q104-L107 HydrophobicContact CB-CG 4.21Å; Q104-L107 HydrophobicContact CG-CD1 4.2Å; Q104-L107 HydrophobicContact CG-CG 3.9Å; Q104-L107 WeakPolarHBondContact O-CB 3.41Å; Q104-L107 PolarHBondContact O-N 2.78Å; Q104-L107 VanDerWaalsContact O-N 3.14Å; F105-L107 PolarHBondContact O-N 2.8Å; F105-L107 VanDerWaalsContact O-N 3.09Å; L107-C109 PolarHBondContact O-N 3.14Å
108Q88.8Confident90.4Very high49 Ų4958.8 Ų58.823%0.22931%0.312CS..SBendtrans-86.150.8174.1-59.1-60.9-21.700110.9G57 F105 A121G57-Q108 PolarHBondContact O-NE2 3.09Å; F105-Q108 WeakPolarHBondContact O-CB 3.23Å; F105-Q108 PolarHBondContact O-N 2.94Å; Q108-A121 HydrophobicContact CB-CB 3.86Å; Q108-A121 HydrophobicContact CG-CB 4.43Å
109C89.8Confident90.5Very high36 Ų3661.7 Ų61.724%0.24333%0.326CS..  trans-97.8132.1-176.7-1750000111.6T106 L107 P116 F118T106-C109 VanDerWaalsContact O-CB 3.26Å; T106-C109 WeakPolarHBondContact O-CB 3.22Å; L107-C109 PolarHBondContact O-N 3.14Å; C109-P116 VanDerWaalsContact SG-CB 3.58Å; C109-F118 HydrophobicContact CB-CD1 3.95Å; C109-F118 HydrophobicContact CB-CE1 3.67Å
110V86.3Confident90.5Very high50 Ų5065 Ų6530%0.30334%0.343SS..EExtended strand (participates in β ladder)trans-114.4134.5165.2176.30000108D117 L120V110-D117 PolarHBondContact N-O 2.97Å; V110-D117 WeakPolarHBondContact O-CA 3.07Å; V110-D117 WeakPolarHBondContact O-CB 3.45Å; V110-D117 PolarHBondContact O-N 3.42Å; V110-L120 HydrophobicContact CG2-CD1 3.54Å; V110-L120 HydrophobicContact CG2-CG 4.13Å
111L89.1Confident90.5Very high119 Ų11965.6 Ų65.662%0.62335%0.348SS*.EExtended strand (participates in β ladder)trans-92120.8177.8-63.7-179.8000110.8P116L111-P116 HydrophobicContact CD2-CB 4.3Å
112K91.2Very high90.5Very high130 Ų13066.6 Ų66.657%0.56535%0.353SS*.EExtended strand (participates in β ladder)trans-98.789.6166.3-71.3178179.9164.70108N114 K115 D117K112-N114 PolarHBondContact O-N 3.1Å; K112-K115 PolarHBondContact N-O 3.07Å; K112-K115 PolarHBondContact O-N 2.92Å; K112-D117 HydrophobicContact CD-CB 4.25Å; K112-D117 WeakPolarHBondContact CD-OD2 3.34Å; K112-D117 VanDerWaalsContact CE-OD2 3.25Å; K112-D117 WeakPolarHBondContact CE-OD2 3.26Å; K112-D117 HydrophobicContact CG-CB 4.43Å; K112-D117 IonicContact NZ-OD2 3.81Å; K112-D117 PolarHBondContact NZ-OD2 3.37Å
113G93.2Very high91Very high62 Ų6268.9 Ų68.964%0.63937%0.368SS*.THydrogen-bonded Turntrans66.1-119.1-164.800000109.8
114N94.1Very high91.2Very high170 Ų17072.1 Ų72.191%0.90939%0.387SS*.THydrogen-bonded Turntrans-98.6-0175.5-62.3-25000113.3K112K112-N114 PolarHBondContact O-N 3.1Å
115K95Very high91.2Very high149 Ų14977.2 Ų77.265%0.64841%0.411SS*.EExtended strand (participates in β ladder)trans-89.9122.6-179.7-176.8178.6175.5-178.40109.5K112K112-K115 PolarHBondContact N-O 3.07Å; K112-K115 PolarHBondContact O-N 2.92Å
116P91.8Very high91.5Very high63 Ų6377.5 Ų77.541%0.40941%0.414SS..EExtended strand (participates in β ladder)trans-70.4138.6171.530.2-33.8000110.7C109 L111 F118C109-P116 VanDerWaalsContact SG-CB 3.58Å; L111-P116 HydrophobicContact CD2-CB 4.3Å; P116-F118 HydrophobicContact CB-CE1 4.29Å; P116-F118 HydrophobicContact CB-CE2 4.02Å; P116-F118 HydrophobicContact CB-CZ 3.67Å; P116-F118 HydrophobicContact CG-CE2 4.34Å; P116-F118 HydrophobicContact CG-CZ 4.23Å
117D92Very high91.8Very high35 Ų3576.5 Ų76.519%0.18741%0.409CS..EExtended strand (participates in β ladder)trans-129.5131.1176.9-171-50.6000108.2V110 K112 H119V110-D117 PolarHBondContact N-O 2.97Å; V110-D117 WeakPolarHBondContact O-CA 3.07Å; V110-D117 WeakPolarHBondContact O-CB 3.45Å; V110-D117 PolarHBondContact O-N 3.42Å; K112-D117 HydrophobicContact CD-CB 4.25Å; K112-D117 WeakPolarHBondContact CD-OD2 3.34Å; K112-D117 VanDerWaalsContact CE-OD2 3.25Å; K112-D117 WeakPolarHBondContact CE-OD2 3.26Å; K112-D117 HydrophobicContact CG-CB 4.43Å; K112-D117 IonicContact NZ-OD2 3.81Å; K112-D117 PolarHBondContact NZ-OD2 3.37Å; D117-H119 WeakPolarHBondContact OD1-CB 3.45Å; D117-H119 IonicContact OD1-CE1 2.67Å; D117-H119 IonicContact OD1-CG 3.54Å; D117-H119 PolarHBondContact OD1-N 3.18Å; D117-H119 IonicContact OD1-ND1 3.35Å; D117-H119 PolarHBondContact OD1-ND1 3.42Å
118F92.6Very high92.2Very high64 Ų6478.9 Ų78.928%0.28142%0.419SS..  trans-117.225-173-51.6-76.3000112.5F105 T106 C109 P116 L120 A121F105-F118 HydrophobicContact CD2-CB 4.01Å; F105-F118 HydrophobicContact CD2-CD1 4.19Å; F105-F118 HydrophobicContact CD2-CG 4.01Å; F105-F118 HydrophobicContact CE2-CB 3.9Å; F105-F118 AromaticContact CE2-CD1 3.98Å; F105-F118 HydrophobicContact CE2-CD1 3.98Å; F105-F118 AromaticContact CE2-CD2 3.67Å; F105-F118 HydrophobicContact CE2-CD2 3.67Å; F105-F118 HydrophobicContact CE2-CE1 4.41Å; F105-F118 HydrophobicContact CE2-CE2 4.12Å; F105-F118 AromaticContact CE2-CG 3.58Å; F105-F118 HydrophobicContact CE2-CG 3.58Å; F105-F118 HydrophobicContact CE2-CZ 4.46Å; F105-F118 HydrophobicContact CZ-CD2 4.47Å; T106-F118 HydrophobicContact CG2-CE1 4.02Å; T106-F118 HydrophobicContact CG2-CZ 4.09Å; C109-F118 HydrophobicContact CB-CD1 3.95Å; C109-F118 HydrophobicContact CB-CE1 3.67Å; P116-F118 HydrophobicContact CB-CE1 4.29Å; P116-F118 HydrophobicContact CB-CE2 4.02Å; P116-F118 HydrophobicContact CB-CZ 3.67Å; P116-F118 HydrophobicContact CG-CE2 4.34Å; P116-F118 HydrophobicContact CG-CZ 4.23Å; F118-L120 PolarHBondContact O-N 2.98Å; F118-L120 VanDerWaalsContact O-N 3.07Å; F118-A121 HydrophobicContact CB-CB 4.41Å; F118-A121 VanDerWaalsContact O-CB 3.29Å; F118-A121 WeakPolarHBondContact O-CB 3.48Å; F118-A121 PolarHBondContact O-N 2.93Å
119H92.1Very high92.5Very high105 Ų10578.4 Ų78.449%0.48643%0.427SS..THydrogen-bonded Turntrans-59.8-17.4-179.668.7-76.7000114.5D117D117-H119 WeakPolarHBondContact OD1-CB 3.45Å; D117-H119 IonicContact OD1-CE1 2.67Å; D117-H119 IonicContact OD1-CG 3.54Å; D117-H119 PolarHBondContact OD1-N 3.18Å; D117-H119 IonicContact OD1-ND1 3.35Å; D117-H119 PolarHBondContact OD1-ND1 3.42Å
120L90.5Very high92.8Very high69 Ų6978.2 Ų78.236%0.36142%0.422SS..THydrogen-bonded Turntrans-83.9-13.8174.6-61-176.9000113.2S59 L60 V110 F118S59-L120 CarbonylContact C-O 3.59Å; S59-L120 WeakPolarHBondContact CA-O 3.48Å; S59-L120 PolarHBondContact OG-O 3.32Å; L60-L120 PolarHBondContact N-O 3.1Å; V110-L120 HydrophobicContact CG2-CD1 3.54Å; V110-L120 HydrophobicContact CG2-CG 4.13Å; F118-L120 PolarHBondContact O-N 2.98Å; F118-L120 VanDerWaalsContact O-N 3.07Å
121A90.6Very high93.3Very high13 Ų1375.8 Ų75.811%0.10741%0.407CS..BIsolated β-bridgetrans-70.7141.5176.800000111F105 Q108 F118F105-A121 HydrophobicContact CB-CB 4.21Å; F105-A121 HydrophobicContact CD2-CB 4.25Å; Q108-A121 HydrophobicContact CB-CB 3.86Å; Q108-A121 HydrophobicContact CG-CB 4.43Å; F118-A121 HydrophobicContact CB-CB 4.41Å; F118-A121 VanDerWaalsContact O-CB 3.29Å; F118-A121 WeakPolarHBondContact O-CB 3.48Å; F118-A121 PolarHBondContact O-N 2.93Å
122M92.1Very high93.7Very high20 Ų2073.7 Ų73.710%0.09940%0.396CS..PPolyproline II helixtrans-61.1135.6171.1-175.1176.2-72.300110.4I58 S59 Q126 A127 F130I58-M122 HydrophobicContact CB-CB 4.37Å; I58-M122 HydrophobicContact CG2-CB 3.92Å; I58-M122 HydrophobicContact CG2-CE 3.68Å; I58-M122 HydrophobicContact CG2-CG 4.49Å; I58-M122 HydrophobicContact CG2-SD 3.81Å; I58-M122 PolarHBondContact O-N 2.89Å; S59-M122 WeakPolarHBondContact O-CE 3.42Å; M122-Q126 HydrophobicContact CG-CB 3.81Å; M122-Q126 HydrophobicContact SD-CB 3.81Å; M122-A127 HydrophobicContact CB-CB 4.08Å; M122-A127 HydrophobicContact CG-CB 4.01Å; M122-A127 VanDerWaalsContact SD-CA 3.6Å; M122-A127 HydrophobicContact SD-CB 4.21Å; M122-F130 HydrophobicContact CE-CB 4.48Å; M122-F130 HydrophobicContact CE-CD2 3.77Å; M122-F130 HydrophobicContact CE-CE2 4.25Å; M122-F130 HydrophobicContact CE-CG 4.22Å; M122-F130 HydrophobicContact SD-CB 3.85Å; M122-F130 HydrophobicContact SD-CD2 4.24Å; M122-F130 HydrophobicContact SD-CG 4.21Å
123P95.7Very high94Very high50 Ų5070.2 Ų70.233%0.32539%0.389SS..PPolyproline II helixtrans-56.1147.8175.4-26.234.5000112.4L60 E125 Q126 A127L60-P123 HydrophobicContact CD1-CG 4.29Å; P123-E125 VanDerWaalsContact C-N 3.27Å; P123-E125 PolarHBondContact O-N 2.8Å; P123-Q126 PolarHBondContact O-N 3.12Å; P123-A127 VanDerWaalsContact O-CB 3.27Å; P123-A127 WeakPolarHBondContact O-CB 3.3Å; P123-A127 PolarHBondContact O-N 2.81Å
124T93.1Very high94.2Very high90 Ų9067.4 Ų67.455%0.55236%0.359SS*.Hα-helixtrans-57.6-40-169.7-59.30000112.3Q126 A127 E128 F152T124-Q126 VanDerWaalsContact C-N 3.29Å; T124-Q126 PolarHBondContact O-N 3.07Å; T124-A127 PolarHBondContact O-N 2.9Å; T124-E128 PolarHBondContact O-N 3.15Å; T124-E128 VanDerWaalsContact O-N 3.08Å; T124-F152 HydrophobicContact CG2-CE1 3.82Å; T124-F152 HydrophobicContact CG2-CZ 4.42Å
125E92.4Very high94.3Very high157 Ų15759.3 Ų59.373%0.73432%0.316SS*.Hα-helixtrans-63.1-34.6-178.5-58.776.3-16700112.4P123P123-E125 VanDerWaalsContact C-N 3.27Å; P123-E125 PolarHBondContact O-N 2.8Å
126Q94.7Very high94.5Very high121 Ų12157.5 Ų57.557%0.56531%0.309SS*.Hα-helixtrans-88.1-38.4177.5-63.5-179.127.600111.1M122 P123 T124 E128 G129 F130M122-Q126 HydrophobicContact CG-CB 3.81Å; M122-Q126 HydrophobicContact SD-CB 3.81Å; P123-Q126 PolarHBondContact O-N 3.12Å; T124-Q126 VanDerWaalsContact C-N 3.29Å; T124-Q126 PolarHBondContact O-N 3.07Å; Q126-E128 VanDerWaalsContact C-N 3.31Å; Q126-E128 PolarHBondContact O-N 3.2Å; Q126-G129 PolarHBondContact O-N 3.15Å; Q126-F130 PolarHBondContact O-N 3.09Å
127A93.9Very high94.8Very high9 Ų956.8 Ų56.87%0.07430%0.301CS..Hα-helixtrans-63.3-34.4-177.100000112.5M122 P123 T124 F130 Y131 F152M122-A127 HydrophobicContact CB-CB 4.08Å; M122-A127 HydrophobicContact CG-CB 4.01Å; M122-A127 VanDerWaalsContact SD-CA 3.6Å; M122-A127 HydrophobicContact SD-CB 4.21Å; P123-A127 VanDerWaalsContact O-CB 3.27Å; P123-A127 WeakPolarHBondContact O-CB 3.3Å; P123-A127 PolarHBondContact O-N 2.81Å; T124-A127 PolarHBondContact O-N 2.9Å; A127-F130 PolarHBondContact O-N 3.49Å; A127-Y131 WeakPolarHBondContact O-CB 3.46Å; A127-Y131 PolarHBondContact O-N 2.88Å; A127-F152 HydrophobicContact CB-CE2 4.36Å; A127-F152 HydrophobicContact CB-CZ 3.88Å
128E96.3Very high95Very high96 Ų9655.1 Ų55.145%0.44929%0.292SS..Hα-helixtrans-62.6-47.2176.1-172.2171.5-162.100111.5T124 Q126 F130 Y131 N132 F152T124-E128 PolarHBondContact O-N 3.15Å; T124-E128 VanDerWaalsContact O-N 3.08Å; Q126-E128 VanDerWaalsContact C-N 3.31Å; Q126-E128 PolarHBondContact O-N 3.2Å; E128-F130 PolarHBondContact O-N 2.9Å; E128-Y131 PolarHBondContact O-N 3.39Å; E128-N132 WeakPolarHBondContact O-CB 3.43Å; E128-N132 PolarHBondContact O-N 2.97Å; E128-N132 PolarHBondContact O-ND2 3.44Å; E128-F152 HydrophobicContact CB-CD1 3.81Å; E128-F152 HydrophobicContact CB-CE1 3.56Å; E128-F152 HydrophobicContact CB-CG 4.43Å; E128-F152 HydrophobicContact CB-CZ 3.98Å; E128-F152 HydrophobicContact CG-CD1 3.79Å; E128-F152 HydrophobicContact CG-CE1 4.09Å; E128-F152 HydrophobicContact CG-CG 4.2Å
129G97.1Very high95.3Very high39 Ų3955.4 Ų55.440%0.40229%0.291SS..Hα-helixtrans-63.5-40.5176.800000112.5Q126 S133Q126-G129 PolarHBondContact O-N 3.15Å; G129-S133 WeakPolarHBondContact O-CB 3.5Å; G129-S133 PolarHBondContact O-N 3.18Å; G129-S133 PolarHBondContact O-OG 3.23Å
130F96.1Very high95.5Very high31 Ų3158 Ų5814%0.13630%0.301CS..Hα-helixtrans-65.9-45.5176.4-163.2-75.3000111.7I58 D62 T63 L67 M122 Q126 A127 E128 N132 S133 F134I58-F130 HydrophobicContact CD1-CB 4.3Å; I58-F130 HydrophobicContact CD1-CD1 3.84Å; I58-F130 HydrophobicContact CD1-CG 4.45Å; I58-F130 HydrophobicContact CG1-CD1 4.15Å; I58-F130 HydrophobicContact CG2-CB 4.47Å; I58-F130 HydrophobicContact CG2-CD1 3.73Å; I58-F130 HydrophobicContact CG2-CE1 4.03Å; I58-F130 HydrophobicContact CG2-CG 4Å; D62-F130 HydrophobicContact CB-CE1 4.37Å; D62-F130 HydrophobicContact CB-CE2 4.1Å; D62-F130 HydrophobicContact CB-CZ 3.73Å; D62-F130 WeakPolarHBondContact O-CE2 3.04Å; T63-F130 WeakPolarHBondContact O-CZ 3.33Å; L67-F130 HydrophobicContact CB-CE1 3.92Å; L67-F130 HydrophobicContact CB-CZ 3.79Å; L67-F130 HydrophobicContact CD1-CD1 4.18Å; L67-F130 HydrophobicContact CD1-CE1 3.83Å; L67-F130 HydrophobicContact CD1-CZ 4.07Å; L67-F130 HydrophobicContact CG-CE1 4.15Å; L67-F130 HydrophobicContact CG-CZ 4.42Å; M122-F130 HydrophobicContact CE-CB 4.48Å; M122-F130 HydrophobicContact CE-CD2 3.77Å; M122-F130 HydrophobicContact CE-CE2 4.25Å; M122-F130 HydrophobicContact CE-CG 4.22Å; M122-F130 HydrophobicContact SD-CB 3.85Å; M122-F130 HydrophobicContact SD-CD2 4.24Å; M122-F130 HydrophobicContact SD-CG 4.21Å; Q126-F130 PolarHBondContact O-N 3.09Å; A127-F130 PolarHBondContact O-N 3.49Å; E128-F130 PolarHBondContact O-N 2.9Å; F130-N132 PolarHBondContact O-N 2.94Å; F130-S133 WeakPolarHBondContact O-CB 3.38Å; F130-S133 PolarHBondContact O-N 3.49Å; F130-F134 PolarHBondContact O-N 2.96Å
131Y96.2Very high95.9Very high0 Ų057.7 Ų57.70%030%0.302CS..Hα-helixtrans-60.9-44.8177.5-178.4-105.4000111.8L56 I58 C101 V102 A127 E128 S133 F134 L135 D149 F152L56-Y131 HydrophobicContact CB-CE2 4.46Å; L56-Y131 HydrophobicContact CD2-CD2 3.88Å; L56-Y131 HydrophobicContact CD2-CE2 4.22Å; I58-Y131 HydrophobicContact CD1-CD2 4.44Å; C101-Y131 HydrophobicContact CB-CE2 4.49Å; C101-Y131 WeakPolarHBondContact CB-OH 3.32Å; C101-Y131 PolarHBondContact O-OH 2.69Å; V102-Y131 PolarHBondContact N-OH 2.67Å; A127-Y131 WeakPolarHBondContact O-CB 3.46Å; A127-Y131 PolarHBondContact O-N 2.88Å; E128-Y131 PolarHBondContact O-N 3.39Å; Y131-S133 VanDerWaalsContact C-N 3.32Å; Y131-S133 PolarHBondContact O-N 3.18Å; Y131-F134 WeakPolarHBondContact O-CB 3.27Å; Y131-F134 PolarHBondContact O-N 3.48Å; Y131-L135 HydrophobicContact CD1-CD1 3.99Å; Y131-L135 HydrophobicContact CD1-CG 4.48Å; Y131-L135 HydrophobicContact CE1-CD1 3.49Å; Y131-L135 VanDerWaalsContact CE1-CD1 3.49Å; Y131-L135 HydrophobicContact CE1-CG 4.11Å; Y131-L135 WeakPolarHBondContact O-CG 3.5Å; Y131-L135 PolarHBondContact O-N 2.6Å; Y131-D149 WeakPolarHBondContact CE1-OD1 3.33Å; Y131-D149 VanDerWaalsContact CZ-OD1 3.31Å; Y131-D149 PolarHBondContact OH-OD1 3.36Å; Y131-F152 HydrophobicContact CD1-CB 4.41Å; Y131-F152 AromaticContact CD1-CD2 3.73Å; Y131-F152 HydrophobicContact CD1-CD2 3.73Å; Y131-F152 HydrophobicContact CD1-CG 4.46Å; Y131-F152 HydrophobicContact CE1-CD2 4.37Å; Y131-F152 AromaticContact CG-CD2 3.9Å; Y131-F152 HydrophobicContact CG-CD2 3.9Å; Y131-F152 HydrophobicContact CG-CE2 4.29Å
132N97.6Very high96.3Very high74 Ų7458.5 Ų58.540%0.39630%0.303SS..Hα-helixtrans-62.1-40.6175.6-73-27.7000111.8E128 F130 F134 L135 E136E128-N132 WeakPolarHBondContact O-CB 3.43Å; E128-N132 PolarHBondContact O-N 2.97Å; E128-N132 PolarHBondContact O-ND2 3.44Å; F130-N132 PolarHBondContact O-N 2.94Å; N132-F134 VanDerWaalsContact C-N 3.32Å; N132-F134 PolarHBondContact O-N 3.07Å; N132-L135 PolarHBondContact O-N 2.93Å; N132-E136 WeakPolarHBondContact O-CB 3.44Å; N132-E136 PolarHBondContact O-N 3.17Å
133S97.6Very high96.5Very high58 Ų5862.3 Ų62.341%0.40632%0.316SS..Hα-helixtrans-64.2-37.6175.1-58.40000112.1G129 F130 Y131 E136 Q137G129-S133 WeakPolarHBondContact O-CB 3.5Å; G129-S133 PolarHBondContact O-N 3.18Å; G129-S133 PolarHBondContact O-OG 3.23Å; F130-S133 WeakPolarHBondContact O-CB 3.38Å; F130-S133 PolarHBondContact O-N 3.49Å; Y131-S133 VanDerWaalsContact C-N 3.32Å; Y131-S133 PolarHBondContact O-N 3.18Å; S133-E136 PolarHBondContact O-N 3.46Å; S133-Q137 WeakPolarHBondContact O-CB 3.12Å; S133-Q137 PolarHBondContact O-N 3.28Å
134F96.8Very high96.6Very high2 Ų263.7 Ų63.71%0.00933%0.325CS..Hα-helixtrans-64.3-46.3175.1170.6-91.2000111.7L56 L67 M70 V71 I74 F130 Y131 N132 E136 Q137 L138L56-F134 HydrophobicContact CD1-CE1 4.39Å; L56-F134 HydrophobicContact CD1-CE2 4.13Å; L56-F134 HydrophobicContact CD1-CZ 4.01Å; L56-F134 HydrophobicContact CD2-CB 4.28Å; L56-F134 HydrophobicContact CD2-CD1 3.51Å; L56-F134 HydrophobicContact CD2-CD2 4.05Å; L56-F134 HydrophobicContact CD2-CE1 3.72Å; L56-F134 HydrophobicContact CD2-CE2 4.25Å; L56-F134 HydrophobicContact CD2-CG 3.68Å; L56-F134 HydrophobicContact CD2-CZ 4.09Å; L67-F134 HydrophobicContact CD1-CB 4.09Å; L67-F134 HydrophobicContact CG-CB 4.02Å; L67-F134 HydrophobicContact CG-CD2 4.16Å; M70-F134 HydrophobicContact CB-CE2 4.28Å; M70-F134 HydrophobicContact CG-CE2 4.1Å; V71-F134 HydrophobicContact CG2-CD2 3.76Å; V71-F134 HydrophobicContact CG2-CE2 3.69Å; I74-F134 HydrophobicContact CD1-CE2 4.16Å; I74-F134 HydrophobicContact CD1-CZ 3.67Å; F130-F134 PolarHBondContact O-N 2.96Å; Y131-F134 WeakPolarHBondContact O-CB 3.27Å; Y131-F134 PolarHBondContact O-N 3.48Å; N132-F134 VanDerWaalsContact C-N 3.32Å; N132-F134 PolarHBondContact O-N 3.07Å; F134-E136 VanDerWaalsContact C-N 3.35Å; F134-E136 PolarHBondContact O-N 2.96Å; F134-Q137 PolarHBondContact O-N 2.95Å; F134-L138 HydrophobicContact CD1-CD1 3.96Å; F134-L138 HydrophobicContact CE1-CD1 3.29Å; F134-L138 HydrophobicContact CE1-CG 4.17Å; F134-L138 HydrophobicContact CZ-CD1 3.63Å; F134-L138 HydrophobicContact CZ-CG 4.21Å; F134-L138 PolarHBondContact O-N 3.49Å
135L96.9Very high96.7Very high1 Ų164.7 Ų64.71%0.00532%0.323CS..Hα-helixtrans-60.7-44175.3-71.5177.9000111.9C101 Y131 N132 Q137 L138 R139 I147 D149C101-L135 HydrophobicContact CB-CD2 3.54Å; Y131-L135 HydrophobicContact CD1-CD1 3.99Å; Y131-L135 HydrophobicContact CD1-CG 4.48Å; Y131-L135 HydrophobicContact CE1-CD1 3.49Å; Y131-L135 VanDerWaalsContact CE1-CD1 3.49Å; Y131-L135 HydrophobicContact CE1-CG 4.11Å; Y131-L135 WeakPolarHBondContact O-CG 3.5Å; Y131-L135 PolarHBondContact O-N 2.6Å; N132-L135 PolarHBondContact O-N 2.93Å; L135-Q137 VanDerWaalsContact C-N 3.32Å; L135-Q137 PolarHBondContact O-N 2.92Å; L135-L138 WeakPolarHBondContact O-CB 3.39Å; L135-L138 PolarHBondContact O-N 3.45Å; L135-R139 VanDerWaalsContact O-CG 3.31Å; L135-R139 WeakPolarHBondContact O-CG 3.33Å; L135-R139 PolarHBondContact O-N 3.47Å; L135-I147 HydrophobicContact CD2-CG2 4.23Å; L135-D149 HydrophobicContact CD1-CB 3.97Å; L135-D149 VanDerWaalsContact CD1-CG 3.46Å; L135-D149 WeakPolarHBondContact CD1-OD2 3.48Å
136E98.3Very high96.8Very high110 Ų11058.4 Ų58.451%0.51430%0.295SS..Hα-helixtrans-62.3-42.4178.1-17256.2-150.500111.3N132 S133 F134 L138 R139 K140N132-E136 WeakPolarHBondContact O-CB 3.44Å; N132-E136 PolarHBondContact O-N 3.17Å; S133-E136 PolarHBondContact O-N 3.46Å; F134-E136 VanDerWaalsContact C-N 3.35Å; F134-E136 PolarHBondContact O-N 2.96Å; E136-L138 VanDerWaalsContact C-N 3.35Å; E136-L138 PolarHBondContact O-N 3.25Å; E136-R139 PolarHBondContact O-N 2.96Å; E136-R139 IonicContact OE2-NH1 3.35Å; E136-K140 VanDerWaalsContact O-CB 3.29Å; E136-K140 WeakPolarHBondContact O-CB 3.48Å; E136-K140 PolarHBondContact O-N 3.3Å
137Q97.9Very high96.9Very high48 Ų4853 Ų5322%0.22427%0.269CS..Hα-helixtrans-65.5-36.7176.7-17158.442.500112.3L67 V71 S133 F134 L135 T141L67-Q137 HydrophobicContact CD2-CB 3.77Å; L67-Q137 HydrophobicContact CD2-CG 3.89Å; V71-Q137 HydrophobicContact CB-CG 4.37Å; V71-Q137 HydrophobicContact CG1-CG 4.22Å; V71-Q137 HydrophobicContact CG2-CB 4.17Å; V71-Q137 HydrophobicContact CG2-CG 4Å; S133-Q137 WeakPolarHBondContact O-CB 3.12Å; S133-Q137 PolarHBondContact O-N 3.28Å; F134-Q137 PolarHBondContact O-N 2.95Å; L135-Q137 VanDerWaalsContact C-N 3.32Å; L135-Q137 PolarHBondContact O-N 2.92Å; Q137-T141 PolarHBondContact NE2-OG1 2.87Å; Q137-T141 VanDerWaalsContact NE2-OG1 3.09Å; Q137-T141 VanDerWaalsContact O-CB 3.31Å; Q137-T141 WeakPolarHBondContact O-CB 3.49Å; Q137-T141 PolarHBondContact O-N 3.22Å; Q137-T141 PolarHBondContact O-OG1 3.4Å
138L96.6Very high96.7Very high0 Ų055.6 Ų55.60%028%0.279CS..Hα-helixtrans-61.5-50.7171-84.6172.3000111.7V71 L75 I99 C101 F134 L135 E136 K140 T141 Y142 I147V71-L138 HydrophobicContact CB-CD2 4.5Å; V71-L138 HydrophobicContact CG1-CD2 4Å; V71-L138 HydrophobicContact CG1-CG 4.41Å; V71-L138 HydrophobicContact CG2-CD2 4.33Å; V71-L138 HydrophobicContact CG2-CG 4.1Å; L75-L138 HydrophobicContact CD1-CD2 4.29Å; L75-L138 HydrophobicContact CD2-CD2 3.86Å; L75-L138 HydrophobicContact CG-CD2 3.94Å; I99-L138 HydrophobicContact CD1-CD2 4.42Å; C101-L138 VanDerWaalsContact SG-CD1 3.53Å; F134-L138 HydrophobicContact CD1-CD1 3.96Å; F134-L138 HydrophobicContact CE1-CD1 3.29Å; F134-L138 HydrophobicContact CE1-CG 4.17Å; F134-L138 HydrophobicContact CZ-CD1 3.63Å; F134-L138 HydrophobicContact CZ-CG 4.21Å; F134-L138 PolarHBondContact O-N 3.49Å; L135-L138 WeakPolarHBondContact O-CB 3.39Å; L135-L138 PolarHBondContact O-N 3.45Å; E136-L138 VanDerWaalsContact C-N 3.35Å; E136-L138 PolarHBondContact O-N 3.25Å; L138-K140 VanDerWaalsContact C-N 3.31Å; L138-K140 PolarHBondContact O-N 2.68Å; L138-T141 PolarHBondContact O-N 3.03Å; L138-Y142 WeakPolarHBondContact O-CB 3.5Å; L138-Y142 PolarHBondContact O-N 3.49Å; L138-I147 HydrophobicContact CB-CD1 4.1Å; L138-I147 HydrophobicContact CB-CG1 4.2Å; L138-I147 HydrophobicContact CB-CG2 4.32Å
139R98.1Very high96.4Very high71 Ų7152.9 Ų52.927%0.26827%0.267SS..Hα-helixtrans-59.3-43.1-179.9-70.9178.1-172.1131.43.6111.5L135 E136 P144 I147L135-R139 VanDerWaalsContact O-CG 3.31Å; L135-R139 WeakPolarHBondContact O-CG 3.33Å; L135-R139 PolarHBondContact O-N 3.47Å; E136-R139 PolarHBondContact O-N 2.96Å; E136-R139 IonicContact OE2-NH1 3.35Å; R139-P144 HydrophobicContact CB-CB 4.15Å; R139-P144 HydrophobicContact CB-CG 4.24Å; R139-P144 HydrophobicContact CG-CB 4.35Å; R139-P144 WeakPolarHBondContact O-CD 3.42Å; R139-I147 HydrophobicContact CG-CB 3.77Å; R139-I147 HydrophobicContact CG-CG1 3.94Å; R139-I147 HydrophobicContact CG-CG2 4.05Å
140K98.1Very high95.9Very high158 Ų15851.4 Ų51.469%0.68725%0.252SS*.Hα-helixtrans-65.5-38.3177.5-178.3178.9178.1-178.90113.1E136 L138E136-K140 VanDerWaalsContact O-CB 3.29Å; E136-K140 WeakPolarHBondContact O-CB 3.48Å; E136-K140 PolarHBondContact O-N 3.3Å; L138-K140 VanDerWaalsContact C-N 3.31Å; L138-K140 PolarHBondContact O-N 2.68Å
141T97.9Very high95.3Very high64 Ų6456 Ų5639%0.39327%0.272SS..Hα-helixtrans-83.9-29.7-175-50.30000112.3L75 Q137 L138L75-T141 HydrophobicContact CD1-CG2 3.52Å; Q137-T141 PolarHBondContact NE2-OG1 2.87Å; Q137-T141 VanDerWaalsContact NE2-OG1 3.09Å; Q137-T141 VanDerWaalsContact O-CB 3.31Å; Q137-T141 WeakPolarHBondContact O-CB 3.49Å; Q137-T141 PolarHBondContact O-N 3.22Å; Q137-T141 PolarHBondContact O-OG1 3.4Å; L138-T141 PolarHBondContact O-N 3.03Å
142Y98.1Very high94.9Very high30 Ų3057.9 Ų57.912%0.11828%0.281CS..SBendtrans-110.4-100.2-176.2-176.6-146000112.8L75 V92 M93 Q96 Y97 I99 L138 L146 I147L75-Y142 HydrophobicContact CD2-CD1 4.05Å; L75-Y142 HydrophobicContact CD2-CG 3.97Å; V92-Y142 PolarHBondContact O-OH 3.07Å; M93-Y142 HydrophobicContact CB-CD2 4.31Å; M93-Y142 HydrophobicContact CB-CE2 3.98Å; M93-Y142 HydrophobicContact CG-CD2 3.62Å; M93-Y142 HydrophobicContact CG-CE2 3.73Å; M93-Y142 HydrophobicContact CG-CG 4.2Å; M93-Y142 HydrophobicContact SD-CD2 4.17Å; Q96-Y142 VanDerWaalsContact C-OH 3.28Å; Q96-Y142 WeakPolarHBondContact CA-OH 3.4Å; Y97-Y142 PolarHBondContact N-OH 2.76Å; Y97-Y142 VanDerWaalsContact N-OH 3.17Å; Y97-Y142 WeakPolarHBondContact O-CE1 3.37Å; Y97-Y142 PolarHBondContact O-OH 2.78Å; I99-Y142 HydrophobicContact CD1-CD1 4.26Å; L138-Y142 WeakPolarHBondContact O-CB 3.5Å; L138-Y142 PolarHBondContact O-N 3.49Å; Y142-L146 HydrophobicContact CD1-CB 4.35Å; Y142-L146 HydrophobicContact CE1-CB 3.85Å; Y142-L146 HydrophobicContact CE1-CD1 3.74Å; Y142-L146 HydrophobicContact CE1-CG 4.46Å; Y142-L146 HydrophobicContact CE2-CD1 4.29Å; Y142-L146 WeakPolarHBondContact OH-CD1 3.32Å; Y142-I147 HydrophobicContact CD1-CD1 3.87Å
143R96.8Very high94Very high100 Ų10057.7 Ų57.738%0.37730%0.296SS..  trans-151.8121176.9-70.8-165.8-174.9159.43109.2Q96 E145 L146Q96-R143 VanDerWaalsContact OE1-NH2 3.12Å; R143-E145 WeakPolarHBondContact CD-OE1 3.39Å; R143-E145 PolarHBondContact O-N 3.46Å; R143-L146 HydrophobicContact CB-CB 4.36Å; R143-L146 HydrophobicContact CB-CD1 4.08Å; R143-L146 HydrophobicContact CB-CG 4.11Å; R143-L146 HydrophobicContact CG-CD1 4.49Å; R143-L146 PolarHBondContact O-N 3.29Å; R143-L146 VanDerWaalsContact O-N 3.11Å
144P97.6Very high93.1Very high79 Ų7956.3 Ų56.351%0.51329%0.288SS..G310 helixtrans-55.4-37.4-173.8-27.134.6000114.2R139 L146 I147R139-P144 HydrophobicContact CB-CB 4.15Å; R139-P144 HydrophobicContact CB-CG 4.24Å; R139-P144 HydrophobicContact CG-CB 4.35Å; R139-P144 WeakPolarHBondContact O-CD 3.42Å; P144-L146 VanDerWaalsContact C-N 3.29Å; P144-L146 PolarHBondContact O-N 2.84Å; P144-I147 PolarHBondContact O-N 3.11Å
145E96.5Very high92.1Very high111 Ų11163.8 Ų63.852%0.51932%0.317SS..G310 helixtrans-69.4-23.3-177.469.8-79.7-171.500113.9R143 K148R143-E145 WeakPolarHBondContact CD-OE1 3.39Å; R143-E145 PolarHBondContact O-N 3.46Å; E145-K148 PolarHBondContact O-NZ 3.21Å
146L94.2Very high91Very high25 Ų2565.3 Ų65.313%0.13133%0.325CS..G310 helixtrans-92.1-7179.6-59.8-178000113E98 I99 Y142 R143 P144E98-L146 CarbonylContact C-O 2.8Å; E98-L146 WeakPolarHBondContact CA-O 3.17Å; E98-L146 HydrophobicContact CG-CB 4.43Å; E98-L146 HydrophobicContact CG-CD2 3.83Å; I99-L146 PolarHBondContact N-O 2.75Å; Y142-L146 HydrophobicContact CD1-CB 4.35Å; Y142-L146 HydrophobicContact CE1-CB 3.85Å; Y142-L146 HydrophobicContact CE1-CD1 3.74Å; Y142-L146 HydrophobicContact CE1-CG 4.46Å; Y142-L146 HydrophobicContact CE2-CD1 4.29Å; Y142-L146 WeakPolarHBondContact OH-CD1 3.32Å; R143-L146 HydrophobicContact CB-CB 4.36Å; R143-L146 HydrophobicContact CB-CD1 4.08Å; R143-L146 HydrophobicContact CB-CG 4.11Å; R143-L146 HydrophobicContact CG-CD1 4.49Å; R143-L146 PolarHBondContact O-N 3.29Å; R143-L146 VanDerWaalsContact O-N 3.11Å; P144-L146 VanDerWaalsContact C-N 3.29Å; P144-L146 PolarHBondContact O-N 2.84Å
147I96.3Very high90Very high7 Ų763.9 Ų63.94%0.03632%0.318CS..EExtended strand (participates in β ladder)trans-98.8114.5176.6-52.7-57.5000109.4I99 L135 L138 R139 Y142 P144I99-I147 HydrophobicContact CB-CD1 3.8Å; I99-I147 HydrophobicContact CD1-CD1 3.73Å; I99-I147 HydrophobicContact CG1-CD1 4Å; L135-I147 HydrophobicContact CD2-CG2 4.23Å; L138-I147 HydrophobicContact CB-CD1 4.1Å; L138-I147 HydrophobicContact CB-CG1 4.2Å; L138-I147 HydrophobicContact CB-CG2 4.32Å; R139-I147 HydrophobicContact CG-CB 3.77Å; R139-I147 HydrophobicContact CG-CG1 3.94Å; R139-I147 HydrophobicContact CG-CG2 4.05Å; Y142-I147 HydrophobicContact CD1-CD1 3.87Å; P144-I147 PolarHBondContact O-N 3.11Å
148K90.3Very high88.9Confident63 Ų6363.7 Ų63.727%0.27432%0.32SS..EExtended strand (participates in β ladder)trans-107.6147.8175.9-55.2-50-172.6-162.80110.6S46 I48 E98 I99 L100 C101 E145S46-K148 WeakPolarHBondContact OG-CB 3.29Å; I48-K148 HydrophobicContact CG2-CB 3.77Å; I48-K148 HydrophobicContact CG2-CG 3.29Å; E98-K148 WeakPolarHBondContact OE1-CE 3.43Å; I99-K148 PolarHBondContact O-N 3.46Å; L100-K148 WeakPolarHBondContact CA-O 2.93Å; L100-K148 HydrophobicContact CD1-CB 3.88Å; C101-K148 PolarHBondContact N-O 2.99Å; E145-K148 PolarHBondContact O-NZ 3.21Å
149D90.6Very high87.9Confident39 Ų3967.8 Ų67.821%0.20934%0.339CS..EExtended strand (participates in β ladder)trans-112.7153.7177.2-171.515.4000110.2S46 Y131 L135S46-D149 WeakPolarHBondContact CB-O 3.21Å; S46-D149 PolarHBondContact OG-O 3.07Å; S46-D149 VanDerWaalsContact OG-O 3.12Å; Y131-D149 WeakPolarHBondContact CE1-OD1 3.33Å; Y131-D149 VanDerWaalsContact CZ-OD1 3.31Å; Y131-D149 PolarHBondContact OH-OD1 3.36Å; L135-D149 HydrophobicContact CD1-CB 3.97Å; L135-D149 VanDerWaalsContact CD1-CG 3.46Å; L135-D149 WeakPolarHBondContact CD1-OD2 3.48Å
150G84.8Confident86.9Confident8 Ų866.8 Ų66.88%0.08234%0.338CS..  trans-76.9-150.2155.200000110.9C101C101-G150 PolarHBondContact O-N 3.09Å
151K84.5Confident85.8Confident127 Ų12763.9 Ų63.955%0.55233%0.327SS*.  trans-124.7108.4172.6-175.8175.1-178172.60108.4I45 G153 A154 M156I45-K151 HydrophobicContact CD1-CB 3.96Å; I45-K151 HydrophobicContact CD1-CD 4.28Å; K151-G153 PolarHBondContact O-N 2.85Å; K151-A154 HydrophobicContact CB-CB 3.88Å; K151-A154 HydrophobicContact CD-CB 3.8Å; K151-A154 HydrophobicContact CG-CB 3.7Å; K151-A154 WeakPolarHBondContact O-CB 3.5Å; K151-A154 PolarHBondContact O-N 3.28Å; K151-M156 HydrophobicContact CB-SD 4.28Å; K151-M156 PolarHBondContact N-SD 2.79Å; K151-M156 VanDerWaalsContact O-CE 3.22Å; K151-M156 WeakPolarHBondContact O-CE 3.31Å
152F86.6Confident84.4Confident41 Ų4162.9 Ų62.918%0.1832%0.319CS..THydrogen-bonded Turntrans-53.2138.3-179.6-171.2-88.5000111.2S103 T124 A127 E128 Y131 A154S103-F152 VanDerWaalsContact CB-CD2 3.49Å; S103-F152 WeakPolarHBondContact OG-CD2 3.12Å; T124-F152 HydrophobicContact CG2-CE1 3.82Å; T124-F152 HydrophobicContact CG2-CZ 4.42Å; A127-F152 HydrophobicContact CB-CE2 4.36Å; A127-F152 HydrophobicContact CB-CZ 3.88Å; E128-F152 HydrophobicContact CB-CD1 3.81Å; E128-F152 HydrophobicContact CB-CE1 3.56Å; E128-F152 HydrophobicContact CB-CG 4.43Å; E128-F152 HydrophobicContact CB-CZ 3.98Å; E128-F152 HydrophobicContact CG-CD1 3.79Å; E128-F152 HydrophobicContact CG-CE1 4.09Å; E128-F152 HydrophobicContact CG-CG 4.2Å; Y131-F152 HydrophobicContact CD1-CB 4.41Å; Y131-F152 AromaticContact CD1-CD2 3.73Å; Y131-F152 HydrophobicContact CD1-CD2 3.73Å; Y131-F152 HydrophobicContact CD1-CG 4.46Å; Y131-F152 HydrophobicContact CE1-CD2 4.37Å; Y131-F152 AromaticContact CG-CD2 3.9Å; Y131-F152 HydrophobicContact CG-CD2 3.9Å; Y131-F152 HydrophobicContact CG-CE2 4.29Å; F152-A154 PolarHBondContact O-N 2.96Å
153G79.5Confident82.5Confident69 Ų6964.3 Ų64.371%0.71133%0.329SS*.THydrogen-bonded Turntrans67.2-5.6179.100000116.2K151K151-G153 PolarHBondContact O-N 2.85Å
154A79.2Confident80.8Confident30 Ų3061 Ų6125%0.24833%0.326CS..SBendtrans-84.2148.1179.100000112.1K151 F152 M156K151-A154 HydrophobicContact CB-CB 3.88Å; K151-A154 HydrophobicContact CD-CB 3.8Å; K151-A154 HydrophobicContact CG-CB 3.7Å; K151-A154 WeakPolarHBondContact O-CB 3.5Å; K151-A154 PolarHBondContact O-N 3.28Å; F152-A154 PolarHBondContact O-N 2.96Å; A154-M156 HydrophobicContact CB-CG 4.34Å; A154-M156 PolarHBondContact O-N 3.13Å
155Y76.1Confident79.1Confident158 Ų15860 Ų6062%0.6232%0.319SS*.  trans-70117.9166.6-177.1-104.1000110Q157Y155-Q157 PolarHBondContact OH-NE2 3.12Å
156M74.1Confident77.8Confident33 Ų3356.3 Ų56.316%0.16330%0.304CS..  trans-126.5141.3-172.6-69.8-179.8-73.300111.6T34 V102 K151 A154 V158T34-M156 HydrophobicContact CG2-CB 3.88Å; T34-M156 HydrophobicContact CG2-CG 3.84Å; T34-M156 HydrophobicContact CG2-SD 3.82Å; V102-M156 HydrophobicContact CG1-CE 3.66Å; K151-M156 HydrophobicContact CB-SD 4.28Å; K151-M156 PolarHBondContact N-SD 2.79Å; K151-M156 VanDerWaalsContact O-CE 3.22Å; K151-M156 WeakPolarHBondContact O-CE 3.31Å; A154-M156 HydrophobicContact CB-CG 4.34Å; A154-M156 PolarHBondContact O-N 3.13Å; M156-V158 HydrophobicContact CB-CG2 4.24Å
157Q75.6Confident77.2Confident81 Ų8157.9 Ų57.938%0.37932%0.315SS..EExtended strand (participates in β ladder)trans-96.6108160.2-62.3-63.9-49.200107.7T34 M35 Y155T34-Q157 CarbonylContact C-O 3.11Å; T34-Q157 VanDerWaalsContact CA-O 3.28Å; T34-Q157 WeakPolarHBondContact CA-O 3.25Å; M35-Q157 HydrophobicContact CB-CB 4.25Å; M35-Q157 PolarHBondContact N-O 3.13Å; M35-Q157 VanDerWaalsContact O-CB 3.29Å; M35-Q157 WeakPolarHBondContact O-CB 3.43Å; M35-Q157 PolarHBondContact O-N 2.92Å; Y155-Q157 PolarHBondContact OH-NE2 3.12Å
158V75.9Confident76.4Confident43 Ų4360.5 Ų60.526%0.26133%0.329SS..EExtended strand (participates in β ladder)trans-95.6110178.2-170.30000108.4V102 M156 I160V102-V158 HydrophobicContact CG1-CG2 4.16Å; V102-V158 HydrophobicContact CG2-CG1 4.34Å; V102-V158 HydrophobicContact CG2-CG2 4.29Å; M156-V158 HydrophobicContact CB-CG2 4.24Å; V158-I160 HydrophobicContact CG1-CD1 4.01Å; V158-I160 HydrophobicContact CG1-CG1 3.81Å
159H75.3Confident76.2Confident86 Ų8662.7 Ų62.740%0.39834%0.34SS..  trans-83.5122.5174.9-69.9-103.3000109.7S32 R33 M35S32-H159 VanDerWaalsContact CA-O 3.31Å; S32-H159 WeakPolarHBondContact CA-O 3.48Å; S32-H159 WeakPolarHBondContact CB-O 3.35Å; S32-H159 PolarHBondContact OG-O 2.86Å; R33-H159 WeakPolarHBondContact O-CB 3.27Å; R33-H159 PolarHBondContact O-CD2 2.77Å; R33-H159 PolarHBondContact O-N 2.59Å; M35-H159 WeakPolarHBondContact CE-NE2 3.29Å
160I77.1Confident75.7Confident50 Ų5063.6 Ų63.626%0.25634%0.344SS..  trans-127.499.7-175-63.4-177.9000107.6Y30 V158 N162Y30-I160 HydrophobicContact CE1-CB 4.05Å; Y30-I160 HydrophobicContact CE1-CG2 3.4Å; Y30-I160 VanDerWaalsContact CE1-CG2 3.4Å; Y30-I160 WeakPolarHBondContact OH-CG2 2.87Å; V158-I160 HydrophobicContact CG1-CD1 4.01Å; V158-I160 HydrophobicContact CG1-CG1 3.81Å; I160-N162 PolarHBondContact O-N 2.94Å
161Q74.7Confident75.5Confident97 Ų9770.1 Ų70.145%0.45337%0.373SS..  trans-82.378.3171.6-174.9-176.2-13.300112.6Y30 D163Y30-Q161 HydrophobicContact CD1-CB 3.84Å; Y30-Q161 WeakPolarHBondContact CD1-O 3.35Å; Y30-Q161 WeakPolarHBondContact CD2-O 3.46Å; Y30-Q161 VanDerWaalsContact CE1-CA 3.45Å; Y30-Q161 HydrophobicContact CE1-CB 4.24Å; Y30-Q161 WeakPolarHBondContact CE1-O 3.29Å; Y30-Q161 WeakPolarHBondContact CE2-O 3.46Å; Y30-Q161 HydrophobicContact CG-CB 4.34Å; Q161-D163 PolarHBondContact O-N 2.85Å
162N68.4Low75.1Confident43 Ų4365 Ų6523%0.2335%0.353CS..  trans-52.9103.1177.1-102.6-50.6000113S14 Y30 I160 G164 P165S14-N162 WeakPolarHBondContact CB-ND2 3.29Å; S14-N162 PolarHBondContact O-ND2 3.49Å; Y30-N162 VanDerWaalsContact CE2-CA 3.43Å; Y30-N162 WeakPolarHBondContact OH-CA 3.39Å; Y30-N162 WeakPolarHBondContact OH-CB 3.31Å; Y30-N162 PolarHBondContact OH-N 3.02Å; Y30-N162 PolarHBondContact OH-ND2 2.84Å; Y30-N162 PolarHBondContact OH-OD1 2.98Å; I160-N162 PolarHBondContact O-N 2.94Å; N162-G164 PolarHBondContact O-N 3.35Å; N162-P165 HydrophobicContact CB-CB 4.03Å
163D59Low74.1Confident61 Ų6164.6 Ų64.633%0.32635%0.354SS..SBendtrans-96.7106.3167.8-163.333.7000108.7S27 L28 L29 Y30 Q161S27-D163 CarbonylContact C-O 3.43Å; S27-D163 CarbonylContact O-C 3.59Å; S27-D163 VanDerWaalsContact O-CA 3.3Å; S27-D163 WeakPolarHBondContact O-CA 3.32Å; S27-D163 VanDerWaalsContact O-CB 3.31Å; S27-D163 WeakPolarHBondContact O-CB 3.38Å; L28-D163 WeakPolarHBondContact CA-OD2 3.34Å; L28-D163 VanDerWaalsContact N-CG 3.32Å; L28-D163 PolarHBondContact N-OD2 3.43Å; L28-D163 VanDerWaalsContact O-OD2 3.08Å; L29-D163 PolarHBondContact N-OD2 2.99Å; Y30-D163 HydrophobicContact CD2-CB 4.48Å; Y30-D163 VanDerWaalsContact CE2-N 3.28Å; Q161-D163 PolarHBondContact O-N 2.85Å
164G60.8Low73Confident29 Ų2963.8 Ų63.830%0.29934%0.341SS..THydrogen-bonded Turntrans154.2-84.617300000112.2L25 G26 S27 N162L25-G164 CarbonylContact O-C 3.53Å; G26-G164 VanDerWaalsContact CA-CA 3.42Å; G26-G164 VanDerWaalsContact O-CA 3.29Å; G26-G164 WeakPolarHBondContact O-CA 3.4Å; S27-G164 WeakPolarHBondContact O-CA 3.44Å; S27-G164 PolarHBondContact O-N 3.4Å; N162-G164 PolarHBondContact O-N 3.35Å
165P61.8Low71.4Confident58 Ų5866.2 Ų66.238%0.37735%0.354SS..THydrogen-bonded Turncis-94.4113.310.135.3-34.9000117.7L25 N162L25-P165 CarbonylContact O-C 3.53Å; L25-P165 VanDerWaalsContact O-CA 3.27Å; L25-P165 WeakPolarHBondContact O-CA 3.49Å; L25-P165 WeakPolarHBondContact O-CD 3.46Å; N162-P165 HydrophobicContact CB-CB 4.03Å
166V69.5Low70Confident34 Ų3462.5 Ų62.521%0.20636%0.364CS..  trans-83.3124.6169.9-178.50000110.4V79 W88 I168V79-V166 HydrophobicContact CB-CG1 4.42Å; V79-V166 HydrophobicContact CG1-CG1 4.11Å; W88-V166 HydrophobicContact CH2-CB 4.5Å; W88-V166 HydrophobicContact CH2-CG1 3.86Å; W88-V166 HydrophobicContact CH2-CG2 3.86Å; W88-V166 HydrophobicContact CZ3-CG1 3.73Å; W88-V166 HydrophobicContact CZ3-CG2 4.23Å; V166-I168 HydrophobicContact CG1-CD1 4.19Å; V166-I168 HydrophobicContact CG1-CG1 4.02Å
167T80.3Confident68.5Low59 Ų5964.5 Ų64.536%0.36238%0.378SS..  trans-135.6124.4173.9-69.20000108.7V16V16-T167 HydrophobicContact CB-CG2 4.16Å; V16-T167 HydrophobicContact CG1-CG2 4.22Å; V16-T167 HydrophobicContact CG2-CG2 4.02Å
168I81.1Confident66.8Low62 Ų6264.8 Ų64.832%0.31839%0.394SS..  trans-124.1120.8-177.1-54.2-63.9000108.3V16 L77 V79 V166 L170V16-I168 WeakPolarHBondContact CG1-O 3.43Å; L77-I168 HydrophobicContact CD1-CG2 4.3Å; L77-I168 HydrophobicContact CD2-CB 4.11Å; L77-I168 HydrophobicContact CD2-CG1 4.19Å; L77-I168 HydrophobicContact CD2-CG2 4.03Å; V79-I168 HydrophobicContact CG1-CG1 3.9Å; V166-I168 HydrophobicContact CG1-CD1 4.19Å; V166-I168 HydrophobicContact CG1-CG1 4.02Å; I168-L170 HydrophobicContact CG2-CD2 3.76Å; I168-L170 HydrophobicContact CG2-CG 4.16Å
169E84.6Confident65.1Low109 Ų10967.9 Ų67.951%0.50941%0.414SS..  trans-83.8130.8169.3-173.9176.8-177.400109.1G18G18-E169 WeakPolarHBondContact CA-OE1 3.37Å; G18-E169 WeakPolarHBondContact CA-OE2 3.41Å
170L80.7Confident63.5Low57 Ų5767.4 Ų67.430%0.29842%0.42SS..  trans-125.1129.1176.9-62.2179.4000109.1M70 K73 I74 L77 I168M70-L170 HydrophobicContact CE-CB 4.06Å; M70-L170 HydrophobicContact SD-CB 3.78Å; M70-L170 HydrophobicContact SD-CD1 4.11Å; K73-L170 HydrophobicContact CB-CD1 4.38Å; K73-L170 HydrophobicContact CD-CD2 4.47Å; I74-L170 HydrophobicContact CG1-CD1 3.96Å; L77-L170 HydrophobicContact CD1-CD2 4.46Å; L77-L170 HydrophobicContact CD2-CD1 4.39Å; I168-L170 HydrophobicContact CG2-CD2 3.76Å; I168-L170 HydrophobicContact CG2-CG 4.16Å
171E81.3Confident62.1Low146 Ų14669 Ų6968%0.68243%0.429SS*.  trans-119.5142.2171.7-157179.9175.400109.4K73K73-E171 PolarHBondContact NZ-O 3.12Å
172S76.1Confident60.9Low20 Ų2069 Ų6914%0.1444%0.437CS..PPolyproline II helixtrans-74.6144165.343.20000109A174S172-A174 PolarHBondContact O-N 3.17Å
173P66.1Low60.1Low32 Ų3274.9 Ų74.921%0.20846%0.461CS..PPolyproline II helixtrans-58.6134.2175-2232.1000110.8H69 T179H69-P173 WeakPolarHBondContact NE2-CD 3.4Å; P173-T179 HydrophobicContact CG-CG2 4.46Å
174A54.8Low59.7Low52 Ų5278 Ų7843%0.4347%0.473SS..PPolyproline II helixtrans-58146.7176.400000111.4S172 G176 T177S172-A174 PolarHBondContact O-N 3.17Å; A174-G176 PolarHBondContact O-N 3.29Å; A174-G176 VanDerWaalsContact O-N 3.13Å; A174-T177 HydrophobicContact CB-CG2 4.29Å; A174-T177 PolarHBondContact N-OG1 2.92Å; A174-T177 VanDerWaalsContact N-OG1 3.13Å; A174-T177 PolarHBondContact O-N 3.13Å; A174-T177 PolarHBondContact O-OG1 2.83Å
175P46.5Very low59.1Low80 Ų8080.5 Ų80.552%0.51948%0.479SS..THydrogen-bonded Turntrans-51.5121174.3-22.931.3000110.8
176G47.3Very low58.9Low81 Ų8179.8 Ų79.884%0.83548%0.476SS*.THydrogen-bonded Turntrans95.7-13.5-17800000115.6A174 A178A174-G176 PolarHBondContact O-N 3.29Å; A174-G176 VanDerWaalsContact O-N 3.13Å; G176-A178 VanDerWaalsContact C-N 3.32Å; G176-A178 PolarHBondContact O-N 3Å; G176-A178 VanDerWaalsContact O-N 3.12Å
177T42.2Very low58.5Low74 Ų7485.2 Ų85.245%0.45450%0.497SS..  trans-86.576.8167.463.50000109.3A174 T179A174-T177 HydrophobicContact CB-CG2 4.29Å; A174-T177 PolarHBondContact N-OG1 2.92Å; A174-T177 VanDerWaalsContact N-OG1 3.13Å; A174-T177 PolarHBondContact O-N 3.13Å; A174-T177 PolarHBondContact O-OG1 2.83Å; T177-T179 VanDerWaalsContact C-N 3.28Å; T177-T179 PolarHBondContact O-N 3.36Å
178A39.6Very low57.4Low87 Ų8786.9 Ų86.972%0.71950%0.503SS*.  trans-59.6101.7159.600000106.4G176 S180G176-A178 VanDerWaalsContact C-N 3.32Å; G176-A178 PolarHBondContact O-N 3Å; G176-A178 VanDerWaalsContact O-N 3.12Å; A178-S180 PolarHBondContact O-N 3.49Å
179T40.7Very low56.7Low109 Ų10989.1 Ų89.167%0.66951%0.512SS*.  trans-57.598.9166.3440000106.2P173 T177 D181P173-T179 HydrophobicContact CG-CG2 4.46Å; T177-T179 VanDerWaalsContact C-N 3.28Å; T177-T179 PolarHBondContact O-N 3.36Å; T179-D181 PolarHBondContact O-N 3.08Å
180S41Very low55.9Low75 Ų7590.7 Ų90.752%0.52452%0.517SS..  trans-71.190.1175.252.20000106.4A178 P182 L185A178-S180 PolarHBondContact O-N 3.49Å; S180-P182 WeakPolarHBondContact O-CD 3.44Å; S180-L185 VanDerWaalsContact CB-CD1 3.47Å
181D48Very low55.1Low83 Ų8393.5 Ų93.544%0.44453%0.529SS..  trans-54.4115.1173.3-166.5-14.2000107.2T179 K183 Q184 L185T179-D181 PolarHBondContact O-N 3.08Å; D181-K183 PolarHBondContact O-N 3.41Å; D181-Q184 HydrophobicContact CB-CB 4.26Å; D181-Q184 HydrophobicContact CB-CG 4.14Å; D181-Q184 WeakPolarHBondContact O-CA 3.37Å; D181-Q184 PolarHBondContact O-N 3.36Å; D181-L185 PolarHBondContact O-N 3.36Å; D181-L185 VanDerWaalsContact O-N 3.12Å
182P49.2Very low54.5Low97 Ų9792.6 Ų92.663%0.6352%0.524SS*.Hα-helixtrans-57.7-25.1-173.2-25.133.6000112.3S180 S186S180-P182 WeakPolarHBondContact O-CD 3.44Å; P182-S186 WeakPolarHBondContact O-CB 3.45Å; P182-S186 PolarHBondContact O-N 3.49Å; P182-S186 VanDerWaalsContact O-N 3.09Å; P182-S186 PolarHBondContact O-OG 2.8Å
183K51.1Low54.1Low167 Ų16797.1 Ų97.173%0.72654%0.543SS*.Hα-helixtrans-72.4-29.1174.5-72.4-177.9179.3175.40113.4D181 S186 K187D181-K183 PolarHBondContact O-N 3.41Å; K183-S186 WeakPolarHBondContact CA-OG 3.36Å; K183-S186 PolarHBondContact O-OG 3.39Å; K183-K187 WeakPolarHBondContact O-CB 3.27Å; K183-K187 PolarHBondContact O-N 3.48Å
184Q51.6Low54Low127 Ų127104.8 Ų104.859%0.59357%0.568SS**Hα-helixtrans-81.8-40.5175.1-69.4-149.8-0.700112.1D181 S186 K187 L188D181-Q184 HydrophobicContact CB-CB 4.26Å; D181-Q184 HydrophobicContact CB-CG 4.14Å; D181-Q184 WeakPolarHBondContact O-CA 3.37Å; D181-Q184 PolarHBondContact O-N 3.36Å; Q184-S186 PolarHBondContact O-N 3.26Å; Q184-K187 PolarHBondContact O-N 3.48Å; Q184-K187 VanDerWaalsContact O-N 3.15Å; Q184-L188 PolarHBondContact O-N 3.36Å
185L46.9Very low54.5Low81 Ų81109.7 Ų109.742%0.42458%0.58SS.*Hα-helixtrans-56.1-50.6172.2-80.1169.8000111.2S180 D181 K187 L188 E189S180-L185 VanDerWaalsContact CB-CD1 3.47Å; D181-L185 PolarHBondContact O-N 3.36Å; D181-L185 VanDerWaalsContact O-N 3.12Å; L185-K187 PolarHBondContact O-N 3.36Å; L185-L188 PolarHBondContact O-N 3.17Å; L185-L188 VanDerWaalsContact O-N 3.15Å; L185-E189 WeakPolarHBondContact O-CB 3.41Å; L185-E189 WeakPolarHBondContact O-CG 3.38Å; L185-E189 PolarHBondContact O-N 2.92Å
186S58.3Low55.5Low43 Ų43112.4 Ų112.430%0.30159%0.586SS.*Hα-helixtrans-64.9-24.4178.759.40000113.9P182 K183 Q184 K190P182-S186 WeakPolarHBondContact O-CB 3.45Å; P182-S186 PolarHBondContact O-N 3.49Å; P182-S186 VanDerWaalsContact O-N 3.09Å; P182-S186 PolarHBondContact O-OG 2.8Å; K183-S186 WeakPolarHBondContact CA-OG 3.36Å; K183-S186 PolarHBondContact O-OG 3.39Å; Q184-S186 PolarHBondContact O-N 3.26Å; S186-K190 VanDerWaalsContact O-CB 3.32Å; S186-K190 WeakPolarHBondContact O-CB 3.4Å; S186-K190 WeakPolarHBondContact O-CD 3.48Å; S186-K190 WeakPolarHBondContact O-CG 3.45Å; S186-K190 PolarHBondContact O-N 3.03Å
187K61.1Low56.1Low149 Ų149115.9 Ų115.965%0.64858%0.578SS**Hα-helixtrans-78.4-38.6175.2-161.4175.6-174.1-179.10111.5K183 Q184 L185 Q191K183-K187 WeakPolarHBondContact O-CB 3.27Å; K183-K187 PolarHBondContact O-N 3.48Å; Q184-K187 PolarHBondContact O-N 3.48Å; Q184-K187 VanDerWaalsContact O-N 3.15Å; L185-K187 PolarHBondContact O-N 3.36Å; K187-Q191 WeakPolarHBondContact O-CB 3.46Å; K187-Q191 PolarHBondContact O-N 2.94Å
188L57Low56.9Low94 Ų94117.4 Ų117.449%0.49259%0.587SS.*Hα-helixtrans-68.8-43.9175.6-79.2157.9000111.6Q184 L185 K190 Q191 Q192Q184-L188 PolarHBondContact O-N 3.36Å; L185-L188 PolarHBondContact O-N 3.17Å; L185-L188 VanDerWaalsContact O-N 3.15Å; L188-K190 PolarHBondContact O-N 2.9Å; L188-Q191 PolarHBondContact O-N 2.83Å; L188-Q191 VanDerWaalsContact O-N 3.12Å; L188-Q192 PolarHBondContact O-N 3.44Å
189E66.9Low57.8Low109 Ų109124.1 Ų124.151%0.50959%0.594SS.*Hα-helixtrans-61.4-44174.8-71.2171.915000111.4L185 Q191 Q192 Q193L185-E189 WeakPolarHBondContact O-CB 3.41Å; L185-E189 WeakPolarHBondContact O-CG 3.38Å; L185-E189 PolarHBondContact O-N 2.92Å; E189-Q191 VanDerWaalsContact C-N 3.29Å; E189-Q191 PolarHBondContact O-N 3.02Å; E189-Q192 PolarHBondContact O-N 2.9Å; E189-Q193 WeakPolarHBondContact O-CB 3.46Å; E189-Q193 WeakPolarHBondContact O-CG 3.39Å; E189-Q193 PolarHBondContact O-N 2.83Å
190K67.1Low58.6Low141 Ų141123.1 Ų123.161%0.61360%0.597SS**Hα-helixtrans-65.1-31.3174.6-76.9174.5-176.3175.30112.7S186 L188 R194S186-K190 VanDerWaalsContact O-CB 3.32Å; S186-K190 WeakPolarHBondContact O-CB 3.4Å; S186-K190 WeakPolarHBondContact O-CD 3.48Å; S186-K190 WeakPolarHBondContact O-CG 3.45Å; S186-K190 PolarHBondContact O-N 3.03Å; L188-K190 PolarHBondContact O-N 2.9Å; K190-R194 WeakPolarHBondContact O-CB 3.4Å; K190-R194 WeakPolarHBondContact O-CG 3.49Å; K190-R194 PolarHBondContact O-N 3.22Å; K190-R194 VanDerWaalsContact O-N 3.17Å
191Q64.6Low59.4Low116 Ų116128.3 Ų128.354%0.54261%0.61SS.*Hα-helixtrans-74.9-38.7175.5-108178.6-4.400112.5K187 L188 E189 R194 K195K187-Q191 WeakPolarHBondContact O-CB 3.46Å; K187-Q191 PolarHBondContact O-N 2.94Å; L188-Q191 PolarHBondContact O-N 2.83Å; L188-Q191 VanDerWaalsContact O-N 3.12Å; E189-Q191 VanDerWaalsContact C-N 3.29Å; E189-Q191 PolarHBondContact O-N 3.02Å; Q191-R194 PolarHBondContact O-N 3.17Å; Q191-K195 WeakPolarHBondContact O-CG 3.19Å; Q191-K195 PolarHBondContact O-N 3.15Å
192Q67.8Low59.1Low127 Ų127127 Ų12759%0.59362%0.615SS**Hα-helixtrans-67.1-45.9175.1-83.7174.2-17.200111.4L188 E189 R194 K195 E196L188-Q192 PolarHBondContact O-N 3.44Å; E189-Q192 PolarHBondContact O-N 2.9Å; Q192-R194 VanDerWaalsContact C-N 3.27Å; Q192-R194 PolarHBondContact O-N 3.22Å; Q192-K195 PolarHBondContact O-N 2.51Å; Q192-K195 VanDerWaalsContact O-N 3.09Å; Q192-E196 PolarHBondContact O-N 3.23Å
193Q67.3Low58.7Low115 Ų115128.9 Ų128.954%0.53763%0.628SS.*Hα-helixtrans-61.9-33.4175-73.2178.17.300112.8E189 K197E189-Q193 WeakPolarHBondContact O-CB 3.46Å; E189-Q193 WeakPolarHBondContact O-CG 3.39Å; E189-Q193 PolarHBondContact O-N 2.83Å; Q193-K197 WeakPolarHBondContact O-CB 3.27Å; Q193-K197 WeakPolarHBondContact O-CG 3.37Å; Q193-K197 PolarHBondContact O-N 3.12Å; Q193-K197 VanDerWaalsContact O-N 3.13Å
194R64.5Low58.3Low193 Ų193126.4 Ų126.473%0.72863%0.631SS**Hα-helixtrans-68-45172.1-87.9-178.3172.4-173.2-2.1111.7K190 Q191 Q192 E196 K197 T198K190-R194 WeakPolarHBondContact O-CB 3.4Å; K190-R194 WeakPolarHBondContact O-CG 3.49Å; K190-R194 PolarHBondContact O-N 3.22Å; K190-R194 VanDerWaalsContact O-N 3.17Å; Q191-R194 PolarHBondContact O-N 3.17Å; Q192-R194 VanDerWaalsContact C-N 3.27Å; Q192-R194 PolarHBondContact O-N 3.22Å; R194-E196 PolarHBondContact O-N 3.11Å; R194-K197 PolarHBondContact O-N 2.92Å; R194-T198 PolarHBondContact O-N 3.09Å; R194-T198 PolarHBondContact O-OG1 3.03Å
195K65.3Low57.8Low155 Ų155129.2 Ų129.267%0.67465%0.645SS**Hα-helixtrans-63.7-39.3179-79.2-177.4175.1-177.20112.5Q191 Q192 T198 R199Q191-K195 WeakPolarHBondContact O-CG 3.19Å; Q191-K195 PolarHBondContact O-N 3.15Å; Q192-K195 PolarHBondContact O-N 2.51Å; Q192-K195 VanDerWaalsContact O-N 3.09Å; K195-T198 PolarHBondContact O-N 3.44Å; K195-R199 WeakPolarHBondContact O-CB 3.42Å; K195-R199 PolarHBondContact O-N 2.95Å
196E67.3Low57.2Low138 Ų138130.7 Ų130.765%0.64566%0.662SS**Hα-helixtrans-67.9-41175.7-74.3179.7158.700112.3Q192 R194 T198 R199 A200Q192-E196 PolarHBondContact O-N 3.23Å; R194-E196 PolarHBondContact O-N 3.11Å; E196-T198 VanDerWaalsContact C-N 3.34Å; E196-T198 PolarHBondContact O-N 3.44Å; E196-R199 PolarHBondContact O-N 3.19Å; E196-A200 WeakPolarHBondContact O-CB 3.47Å; E196-A200 PolarHBondContact O-N 3.06Å
197K61.3Low56.2Low154 Ų154134 Ų13467%0.6769%0.685SS**Hα-helixtrans-63.9-35.7174.2-79.7-179.8178179.40113.2Q193 R194Q193-K197 WeakPolarHBondContact O-CB 3.27Å; Q193-K197 WeakPolarHBondContact O-CG 3.37Å; Q193-K197 PolarHBondContact O-N 3.12Å; Q193-K197 VanDerWaalsContact O-N 3.13Å; R194-K197 PolarHBondContact O-N 2.92Å
198T59.1Low55.2Low106 Ų106137.2 Ų137.265%0.6570%0.699SS**Hα-helixtrans-73.1-31.9176-43.30000111.7R194 K195 E196R194-T198 PolarHBondContact O-N 3.09Å; R194-T198 PolarHBondContact O-OG1 3.03Å; K195-T198 PolarHBondContact O-N 3.44Å; E196-T198 VanDerWaalsContact C-N 3.34Å; E196-T198 PolarHBondContact O-N 3.44Å
199R58.4Low54.2Low228 Ų228141.7 Ų141.786%0.8672%0.717SS**Hα-helixtrans-75.8-28.3176.6-165.2175176.6-172.9-0.9113K195 E196 K201K195-R199 WeakPolarHBondContact O-CB 3.42Å; K195-R199 PolarHBondContact O-N 2.95Å; E196-R199 PolarHBondContact O-N 3.19Å; R199-K201 VanDerWaalsContact C-N 3.31Å
200A57Low52.7Low88 Ų88148.5 Ų148.573%0.72774%0.738SS**Hα-helixtrans-75.3-15.8174.600000113.9E196E196-A200 WeakPolarHBondContact O-CB 3.47Å; E196-A200 PolarHBondContact O-N 3.06Å
201K57.4Low51.1Low184 Ų184149.1 Ų149.180%0.875%0.748SS**  trans-97.573.6168.4-86-175.8171.6-177.10109.9R199R199-K201 VanDerWaalsContact C-N 3.31Å
202G41.2Very low49.7Very low54 Ų54150.2 Ų150.256%0.55776%0.763SS**PPolyproline II helixtrans-66.7161.5163.800000111.5S204G202-S204 PolarHBondContact O-N 3.3Å
203P40.8Very low48.6Very low137 Ų137150 Ų15089%0.8977%0.773SS**PPolyproline II helixtrans-68.5121.9-175-3.518.7000110.2
204S42.7Very low47.1Very low115 Ų115155.8 Ų155.880%0.80479%0.79SS**PPolyproline II helixtrans-75.2120.117054.80000110G202G202-S204 PolarHBondContact O-N 3.3Å
205E40.7Very low45.8Very low187 Ų187155.1 Ų155.187%0.87479%0.792SS**PPolyproline II helixtrans-64162.2162-79.1-176.614200111.9
206S34.5Very low44.6Very low112 Ų112156.6 Ų156.678%0.78380%0.802SS**  trans86.7131.4-177.493.70000114.2
207S38.2Very low43.2Very low113 Ų113156.3 Ų156.379%0.7981%0.805SS**  cis-155.1133.219.7-29.40000108.7
208K40Very low42.2Very low216 Ų216159.1 Ų159.194%0.93981%0.811SS**  trans-106.785.5170.9-150.2-175.8-165-178.20107.4
209E36.8Very low41.3Very low188 Ų188159 Ų15988%0.87982%0.815SS**  trans-149.9111.1166.3-119.4176.6-170.900109.1
210R34.3Very low40.5Very low251 Ų251152.9 Ų152.995%0.94781%0.813SS**  trans-15595.9165-125.1-172.6-72.7-169.7-1.7107.8
211N34.6Very low39.7Very low154 Ų154153.8 Ų153.882%0.82481%0.814SS**  trans-149.9104152.9-144.910.5000110
212T35Very low39.1Very low139 Ų139150.4 Ų150.485%0.85381%0.813SS**  trans-178.9130.2143.424.20000108.4
213P44.6Very low38.8Very low124 Ų124155.3 Ų155.381%0.80586%0.863SS**  trans-85154174.312.23.2000112.6
214R34.5Very low38.7Very low236 Ų236156.2 Ų156.289%0.89186%0.862SS**  trans-64137.4177.9-113.4175.1173.5178.3-4.3112.9
215K37.8Very low38.5Very low178 Ų178158.4 Ų158.477%0.77487%0.865SS**  trans22.5129.4134.2-71.9-175.4167.6-171.90118.7
216E40.2Very low38.4Very low187 Ų187156.8 Ų156.887%0.87486%0.864SS**  -168.3142.395-106.8169.8-175.600113.2
217D37.9Very low38.6Very low132 Ų132159.4 Ų159.471%0.70687%0.869SS**  trans-39.8157.4161.7-73.4-60.5000113.9
218R40.5Very low38.6Very low213 Ų213162.3 Ų162.380%0.80487%0.874SS**  cis-172.7144.619.2-121.8165-167.2-159.2-0.1110.1
219S40.1Very low38.5Very low104 Ų104158.7 Ų158.773%0.72787%0.87SS**  trans49.9117.3140.663.20000124.1
220A41.8Very low38.7Very low99 Ų99156.6 Ų156.682%0.81887%0.869SS**  62.2121.912300000121.4
221S41Very low39Very low107 Ų107149.4 Ų149.475%0.74886%0.863SS**  170132.698.3-1610000112
222S43.3Very low39.4Very low113 Ų113149 Ų14979%0.7987%0.867SS**  trans23.8129.4146.261.20000121.6
223G35.7Very low39.8Very low156 Ų156149.9 Ų149.9100%1.60887%0.868SS**  trans165.30161.200000111.2

Retrieved 223 of 223 residues in 487.5 ms (Link to these results)

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