A0A060YDE0_ONCMY Loading...

Ribulose-phosphate 3-epimerase

Catalyzes the reversible epimerization of D-ribulose 5-phosphate to D-xylulose 5-phosphate.

AlphaFold DB , UniProt , Accession A0A060YDE0, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene rpe, Length 228 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M54Low89.8Confident88 Ų8831 Ų3143%0.43318%0.183SC..  01470-64.3-96.6-146.800107.9Y3 R224 S225M1-Y3 HydrophobicContact CB-CD1 4.08Å; M1-Y3 HydrophobicContact CB-CE1 3.74Å; M1-Y3 HydrophobicContact CE-CE1 4.48Å; M1-Y3 VanDerWaalsContact CE-OH 3.31Å; M1-Y3 WeakPolarHBondContact CE-OH 3.34Å; M1-Y3 HydrophobicContact CG-CE1 4.08Å; M1-Y3 HydrophobicContact SD-CE1 3.46Å; M1-Y3 WeakPolarHBondContact SD-CE1 3.5Å; M1-Y3 PolarHBondContact SD-OH 2.91Å; M1-Y3 VanDerWaalsContact SD-OH 3.4Å; M1-R224 HydrophobicContact CE-CB 3.78Å; M1-S225 WeakPolarHBondContact CG-OG 3.46Å
2S73.9Confident89.4Confident94 Ų9431.3 Ų31.366%0.65718%0.183SC*.  trans-88.13.7-176.262.40000114.8S169S2-S169 WeakPolarHBondContact OG-CB 3.43Å
3Y85.9Confident89.1Confident16 Ų1632.2 Ų32.26%0.06319%0.192CC..  trans-121.3153-175.861.4-88.7000111.3M1 R164 P168 D171 N192 I221M1-Y3 HydrophobicContact CB-CD1 4.08Å; M1-Y3 HydrophobicContact CB-CE1 3.74Å; M1-Y3 HydrophobicContact CE-CE1 4.48Å; M1-Y3 VanDerWaalsContact CE-OH 3.31Å; M1-Y3 WeakPolarHBondContact CE-OH 3.34Å; M1-Y3 HydrophobicContact CG-CE1 4.08Å; M1-Y3 HydrophobicContact SD-CE1 3.46Å; M1-Y3 WeakPolarHBondContact SD-CE1 3.5Å; M1-Y3 PolarHBondContact SD-OH 2.91Å; M1-Y3 VanDerWaalsContact SD-OH 3.4Å; Y3-R164 VanDerWaalsContact CZ-CZ 3.44Å; Y3-R164 WeakPolarHBondContact OH-CD 3.39Å; Y3-R164 PolarHBondContact OH-NE 3.19Å; Y3-P168 WeakPolarHBondContact CE1-O 3.39Å; Y3-D171 WeakPolarHBondContact CB-OD1 3.44Å; Y3-N192 HydrophobicContact CD2-CB 3.55Å; Y3-N192 HydrophobicContact CE2-CB 3.99Å; Y3-I221 HydrophobicContact CD2-CD1 3.95Å; Y3-I221 HydrophobicContact CD2-CG1 4.39Å; Y3-I221 HydrophobicContact CE2-CD1 3.91Å; Y3-I221 HydrophobicContact CE2-CG1 3.83Å; Y3-I221 HydrophobicContact CE2-CG2 4.34Å
4S95.3Very high89.2Confident68 Ų6831.1 Ų31.148%0.47619%0.187SC..  trans-126.8164179.865.30000110.8N192S4-N192 PolarHBondContact O-ND2 3.17Å
5A98.1Very high89.5Confident10 Ų1035.2 Ų35.28%0.08321%0.208CC..  trans-66.1131.5171.200000110.4N192 R214 V217 S218 I221A5-N192 CarbonylContact C-O 3.38Å; A5-N192 WeakPolarHBondContact CA-O 3.33Å; A5-R214 HydrophobicContact CB-CG 3.9Å; A5-V217 HydrophobicContact CB-CB 3.75Å; A5-V217 HydrophobicContact CB-CG1 3.52Å; A5-S218 WeakPolarHBondContact CB-OG 3.5Å; A5-I221 HydrophobicContact CB-CD1 4.46Å
6K98.7Very high89.6Confident56 Ų5638.4 Ų38.424%0.24322%0.223CC..EExtended strand (participates in β ladder)trans-135.4136.5172.3-61.8176.2-172.7155.60110.1D32 Y33 D171 N192 M193 I194K6-D32 WeakPolarHBondContact CA-OD2 3.36Å; K6-D32 HydrophobicContact CB-CB 4Å; K6-D32 HydrophobicContact CG-CB 4.35Å; K6-Y33 HydrophobicContact CB-CD1 4.2Å; K6-Y33 HydrophobicContact CB-CE1 3.9Å; K6-D171 IonicContact NZ-OD2 3.62Å; K6-D171 PolarHBondContact NZ-OD2 2.86Å; K6-N192 PolarHBondContact N-O 3.03Å; K6-M193 HydrophobicContact CB-CG 4.24Å; K6-M193 HydrophobicContact CD-CE 4.15Å; K6-M193 HydrophobicContact CD-CG 4.28Å; K6-M193 HydrophobicContact CD-SD 4.16Å; K6-M193 WeakPolarHBondContact O-CA 3.34Å; K6-I194 PolarHBondContact O-N 3.01Å
7I98.8Very high89.9Confident0 Ų041.6 Ų41.60%026%0.255CS..EExtended strand (participates in β ladder)trans-115.8122.8179.5-49.6-56.6000109.1D32 Y33 I194 I210 L213 R214I7-D32 PolarHBondContact N-OD2 2.91Å; I7-D32 PolarHBondContact O-N 2.82Å; I7-Y33 VanDerWaalsContact C-CE1 3.47Å; I7-I194 HydrophobicContact CD1-CB 3.68Å; I7-I194 HydrophobicContact CD1-CG1 3.78Å; I7-I194 HydrophobicContact CD1-CG2 4.32Å; I7-I210 HydrophobicContact CB-CG2 4.13Å; I7-I210 HydrophobicContact CG1-CG2 4.36Å; I7-I210 HydrophobicContact CG2-CG1 4.27Å; I7-I210 HydrophobicContact CG2-CG2 4.15Å; I7-L213 HydrophobicContact CD1-CB 3.72Å; I7-L213 HydrophobicContact CG1-CB 4.28Å; I7-L213 HydrophobicContact CG2-CD1 4.2Å; I7-R214 HydrophobicContact CD1-CB 4.26Å; I7-R214 HydrophobicContact CG1-CB 3.83Å
8G98.4Very high90.2Very high0 Ų042.7 Ų42.70%026%0.264CS..EExtended strand (participates in β ladder)trans-118.8104.2177.700000111.5S10 Y33 I194 V195 S196G8-S10 PolarHBondContact O-N 3.35Å; G8-Y33 VanDerWaalsContact CA-CE1 3.42Å; G8-Y33 WeakPolarHBondContact CA-O 3.42Å; G8-I194 PolarHBondContact N-O 3.36Å; G8-V195 VanDerWaalsContact O-CA 3.27Å; G8-V195 WeakPolarHBondContact O-CA 3.42Å; G8-S196 PolarHBondContact O-N 3.31Å
9P97.8Very high90.5Very high0 Ų040.8 Ų40.80%025%0.252CS..EExtended strand (participates in β ladder)trans-62130.3174.9-24.536.8000110.9I11 M26 A31 Y33 H35 S196 V200 V201 I210P9-I11 PolarHBondContact O-N 2.76Å; P9-M26 HydrophobicContact CB-CB 4.44Å; P9-M26 HydrophobicContact CB-CG 3.98Å; P9-M26 HydrophobicContact CB-SD 3.95Å; P9-M26 HydrophobicContact CG-CB 4.16Å; P9-M26 HydrophobicContact CG-CG 4.15Å; P9-M26 HydrophobicContact CG-SD 4.02Å; P9-A31 VanDerWaalsContact CD-CB 3.47Å; P9-A31 HydrophobicContact CG-CB 3.79Å; P9-Y33 VanDerWaalsContact CD-O 3.29Å; P9-Y33 WeakPolarHBondContact CD-O 3.17Å; P9-H35 PolarHBondContact O-N 3.32Å; P9-H35 VanDerWaalsContact O-N 3.13Å; P9-S196 VanDerWaalsContact CA-O 3.3Å; P9-S196 WeakPolarHBondContact CA-O 3.48Å; P9-V200 HydrophobicContact CB-CG1 4.27Å; P9-V200 HydrophobicContact CG-CG1 4.09Å; P9-V201 HydrophobicContact CB-CG2 4.5Å; P9-I210 HydrophobicContact CG-CD1 4.21Å
10S96Very high90.8Very high8 Ų839.5 Ų39.56%0.05625%0.247CC..BIsolated β-bridgetrans-79.2112.8167.1161.60000108.2G8 L12 D37 S196 G197G8-S10 PolarHBondContact O-N 3.35Å; S10-L12 PolarHBondContact O-N 2.95Å; S10-D37 PolarHBondContact OG-OD2 3.21Å; S10-S196 PolarHBondContact N-O 2.68Å; S10-G197 WeakPolarHBondContact O-CA 3.46Å
11I91.3Very high91Very high1 Ų141.6 Ų41.61%0.00526%0.263CS..G310 helixtrans-81.2-1.9-173.868.7172.3000113.2P9 S13 S14 L19 C23 L34 H35 L36 L57P9-I11 PolarHBondContact O-N 2.76Å; I11-S13 PolarHBondContact O-N 2.94Å; I11-S14 VanDerWaalsContact O-CB 3.25Å; I11-S14 WeakPolarHBondContact O-CB 3.01Å; I11-S14 PolarHBondContact O-N 2.96Å; I11-S14 PolarHBondContact O-OG 3.43Å; I11-L19 HydrophobicContact CB-CD1 3.99Å; I11-L19 HydrophobicContact CD1-CD1 3.46Å; I11-L19 VanDerWaalsContact CD1-CD1 3.46Å; I11-L19 HydrophobicContact CD1-CD2 3.91Å; I11-L19 HydrophobicContact CD1-CG 3.66Å; I11-L19 HydrophobicContact CG1-CD1 3.83Å; I11-C23 WeakPolarHBondContact CD1-SG 3.39Å; I11-L34 HydrophobicContact CG2-CD2 4.27Å; I11-H35 PolarHBondContact N-O 3.32Å; I11-L36 HydrophobicContact CD1-CD2 3.08Å; I11-L36 HydrophobicContact CG1-CD2 3.53Å; I11-L57 HydrophobicContact CD1-CD1 4.13Å
12L85.3Confident93.1Very high34 Ų3439 Ų3918%0.17825%0.249CC..G310 helixtrans-62.5-24.3175.9-17362.7000112.3S10 S14 L16 D37 M39 T48S10-L12 PolarHBondContact O-N 2.95Å; L12-S14 VanDerWaalsContact C-N 3.26Å; L12-S14 PolarHBondContact O-N 3.41Å; L12-L16 HydrophobicContact CD1-CD1 4.47Å; L12-D37 HydrophobicContact CB-CB 4.39Å; L12-D37 HydrophobicContact CD2-CB 4.14Å; L12-M39 HydrophobicContact CD2-CE 3.71Å; L12-T48 HydrophobicContact CD1-CG2 3.44Å; L12-T48 VanDerWaalsContact CD1-CG2 3.44Å; L12-T48 HydrophobicContact CD2-CG2 3.96Å; L12-T48 HydrophobicContact CG-CG2 4.37Å
13S84.8Confident94.2Very high44 Ų4434.5 Ų34.531%0.30822%0.218SC..G310 helixtrans-83.13.7175.9-57.50000114I11 S198I11-S13 PolarHBondContact O-N 2.94Å; S13-S198 PolarHBondContact OG-N 3.2Å
14S91.3Very high94.7Very high17 Ų1736 Ų3612%0.11923%0.229CC..SBendtrans-93.1176-178.275.60000112.7I11 L12 L16 L19I11-S14 VanDerWaalsContact O-CB 3.25Å; I11-S14 WeakPolarHBondContact O-CB 3.01Å; I11-S14 PolarHBondContact O-N 2.96Å; I11-S14 PolarHBondContact O-OG 3.43Å; L12-S14 VanDerWaalsContact C-N 3.26Å; L12-S14 PolarHBondContact O-N 3.41Å; S14-L16 PolarHBondContact O-N 3.2Å; S14-L19 WeakPolarHBondContact OG-CD1 3.46Å
15D92.4Very high94.8Very high92 Ų9236 Ų3649%0.49222%0.218SC..  trans-69.699.6166.9-179.56.3000109.9A17 C18 L19D15-A17 PolarHBondContact O-N 3.12Å; D15-A17 VanDerWaalsContact O-N 3.16Å; D15-A17 WeakPolarHBondContact OD1-CB 3.46Å; D15-A17 PolarHBondContact OD1-N 3.4Å; D15-C18 HydrophobicContact CB-CB 4.4Å; D15-C18 CarbonylContact O-C 3.16Å; D15-C18 WeakPolarHBondContact O-CA 3.36Å; D15-C18 PolarHBondContact O-N 3.47Å; D15-C18 PolarHBondContact OD2-SG 3.01Å; D15-L19 PolarHBondContact O-N 2.88Å
16L92.3Very high94.8Very high87 Ų8735.5 Ų35.546%0.45521%0.214SC..G310 helixtrans-62.2-22.5-178.5-57.2-177.6000113.1L12 S14 C18 L19L12-L16 HydrophobicContact CD1-CD1 4.47Å; S14-L16 PolarHBondContact O-N 3.2Å; L16-C18 PolarHBondContact O-N 3.19Å; L16-L19 HydrophobicContact CD2-CD1 3.94Å
17A94.9Very high94.8Very high93 Ų9335.2 Ų35.277%0.76922%0.215SC*.G310 helixtrans-71.1-22.1174.200000112.1D15D15-A17 PolarHBondContact O-N 3.12Å; D15-A17 VanDerWaalsContact O-N 3.16Å; D15-A17 WeakPolarHBondContact OD1-CB 3.46Å; D15-A17 PolarHBondContact OD1-N 3.4Å
18C94.7Very high94.8Very high61 Ų6141.5 Ų41.541%0.41224%0.244SC..G310 helixtrans-118.626-177.7-60.30000112.5D15 L16 G20 S21 E22D15-C18 HydrophobicContact CB-CB 4.4Å; D15-C18 CarbonylContact O-C 3.16Å; D15-C18 WeakPolarHBondContact O-CA 3.36Å; D15-C18 PolarHBondContact O-N 3.47Å; D15-C18 PolarHBondContact OD2-SG 3.01Å; L16-C18 PolarHBondContact O-N 3.19Å; C18-G20 VanDerWaalsContact C-N 3.29Å; C18-G20 PolarHBondContact O-N 3.19Å; C18-G20 VanDerWaalsContact O-N 3.12Å; C18-S21 WeakPolarHBondContact O-CB 3.49Å; C18-S21 PolarHBondContact O-N 3.37Å; C18-E22 PolarHBondContact O-N 2.69Å; C18-E22 VanDerWaalsContact O-N 3.14Å
19L95.2Very high94.7Very high7 Ų742.5 Ų42.54%0.03725%0.25CS..Hα-helixtrans-55.5-38-166.4-162.760.3000114.3I11 S14 D15 L16 S21 E22 C23 F49 M53 L57I11-L19 HydrophobicContact CB-CD1 3.99Å; I11-L19 HydrophobicContact CD1-CD1 3.46Å; I11-L19 VanDerWaalsContact CD1-CD1 3.46Å; I11-L19 HydrophobicContact CD1-CD2 3.91Å; I11-L19 HydrophobicContact CD1-CG 3.66Å; I11-L19 HydrophobicContact CG1-CD1 3.83Å; S14-L19 WeakPolarHBondContact OG-CD1 3.46Å; D15-L19 PolarHBondContact O-N 2.88Å; L16-L19 HydrophobicContact CD2-CD1 3.94Å; L19-S21 PolarHBondContact O-N 3.39Å; L19-E22 PolarHBondContact O-N 2.8Å; L19-C23 PolarHBondContact O-N 3.01Å; L19-C23 PolarHBondContact O-SG 3.31Å; L19-F49 HydrophobicContact CD2-CE1 4.3Å; L19-M53 HydrophobicContact CD2-CG 4.2Å; L19-M53 HydrophobicContact CD2-SD 4.3Å; L19-L57 HydrophobicContact CB-CD2 4.12Å; L19-L57 HydrophobicContact CD2-CD1 3.91Å; L19-L57 HydrophobicContact CD2-CD2 4.19Å; L19-L57 HydrophobicContact CD2-CG 4.5Å; L19-L57 HydrophobicContact CG-CD1 4.31Å; L19-L57 HydrophobicContact CG-CD2 3.94Å
20G96.1Very high94.8Very high14 Ų1443.7 Ų43.714%0.14426%0.263CS..Hα-helixtrans-60.1-46176.300000112.9C18 E22 C23 V24C18-G20 VanDerWaalsContact C-N 3.29Å; C18-G20 PolarHBondContact O-N 3.19Å; C18-G20 VanDerWaalsContact O-N 3.12Å; G20-E22 VanDerWaalsContact C-N 3.32Å; G20-E22 PolarHBondContact O-N 3Å; G20-C23 WeakPolarHBondContact O-CB 3.31Å; G20-C23 PolarHBondContact O-N 3.37Å; G20-V24 WeakPolarHBondContact O-CG2 3.46Å; G20-V24 PolarHBondContact O-N 2.75Å
21S96.9Very high94.9Very high84 Ų8443.7 Ų43.759%0.58726%0.264SS*.Hα-helixtrans-64.5-38.1176.4-57.80000111.7C18 L19 V24 R25C18-S21 WeakPolarHBondContact O-CB 3.49Å; C18-S21 PolarHBondContact O-N 3.37Å; L19-S21 PolarHBondContact O-N 3.39Å; S21-V24 PolarHBondContact O-N 2.73Å; S21-R25 WeakPolarHBondContact O-CB 3.42Å; S21-R25 PolarHBondContact O-N 3.4Å
22E96.8Very high95.2Very high32 Ų3246.9 Ų46.915%0.1528%0.28CS..Hα-helixtrans-65.3-41.3176.2-73.1-68.9103.100111.8C18 L19 G20 R25 M26C18-E22 PolarHBondContact O-N 2.69Å; C18-E22 VanDerWaalsContact O-N 3.14Å; L19-E22 PolarHBondContact O-N 2.8Å; G20-E22 VanDerWaalsContact C-N 3.32Å; G20-E22 PolarHBondContact O-N 3Å; E22-R25 WeakPolarHBondContact O-CB 3.36Å; E22-R25 PolarHBondContact O-N 3.02Å; E22-R25 IonicContact OE1-CZ 3.55Å; E22-R25 IonicContact OE1-NE 3.16Å; E22-R25 PolarHBondContact OE1-NE 3.46Å; E22-R25 IonicContact OE1-NH2 3.23Å; E22-R25 IonicContact OE2-CZ 2.93Å; E22-R25 IonicContact OE2-NE 3.39Å; E22-R25 PolarHBondContact OE2-NE 3.31Å; E22-R25 IonicContact OE2-NH2 2.94Å; E22-R25 PolarHBondContact OE2-NH2 3.25Å; E22-M26 WeakPolarHBondContact O-CG 3.32Å; E22-M26 PolarHBondContact O-N 3.19Å
23C97.3Very high95.9Very high0 Ų045.4 Ų45.40%027%0.273CS..Hα-helixtrans-60.1-48.2172.9-680000112I11 L19 G20 R25 M26 M27 L34 V61I11-C23 WeakPolarHBondContact CD1-SG 3.39Å; L19-C23 PolarHBondContact O-N 3.01Å; L19-C23 PolarHBondContact O-SG 3.31Å; G20-C23 WeakPolarHBondContact O-CB 3.31Å; G20-C23 PolarHBondContact O-N 3.37Å; C23-R25 VanDerWaalsContact C-N 3.33Å; C23-R25 PolarHBondContact O-N 3.11Å; C23-M26 PolarHBondContact O-N 2.9Å; C23-M27 WeakPolarHBondContact O-CG 3.47Å; C23-M27 PolarHBondContact O-N 2.74Å; C23-L34 HydrophobicContact CB-CD1 3.56Å; C23-V61 HydrophobicContact CB-CG1 3.66Å
24V97.4Very high96.5Very high48 Ų4843.3 Ų43.329%0.29126%0.258SS..Hα-helixtrans-58.1-47.8176.3173.80000110.3G20 S21 M26 M27 E28 V61G20-V24 WeakPolarHBondContact O-CG2 3.46Å; G20-V24 PolarHBondContact O-N 2.75Å; S21-V24 PolarHBondContact O-N 2.73Å; V24-M26 VanDerWaalsContact C-N 3.34Å; V24-M26 PolarHBondContact O-N 2.86Å; V24-M27 PolarHBondContact O-N 2.9Å; V24-E28 HydrophobicContact CG1-CG 4.27Å; V24-E28 WeakPolarHBondContact O-CG 3.5Å; V24-E28 PolarHBondContact O-N 3.45Å; V24-V61 HydrophobicContact CG2-CG1 3.94Å
25R97.4Very high96.9Very high67 Ų6742.5 Ų42.525%0.25325%0.252SS..Hα-helixtrans-55.5-46.8177.8-175176.273.496.7-0.7111.8S21 E22 C23 E28 C29 V201S21-R25 WeakPolarHBondContact O-CB 3.42Å; S21-R25 PolarHBondContact O-N 3.4Å; E22-R25 WeakPolarHBondContact O-CB 3.36Å; E22-R25 PolarHBondContact O-N 3.02Å; E22-R25 IonicContact OE1-CZ 3.55Å; E22-R25 IonicContact OE1-NE 3.16Å; E22-R25 PolarHBondContact OE1-NE 3.46Å; E22-R25 IonicContact OE1-NH2 3.23Å; E22-R25 IonicContact OE2-CZ 2.93Å; E22-R25 IonicContact OE2-NE 3.39Å; E22-R25 PolarHBondContact OE2-NE 3.31Å; E22-R25 IonicContact OE2-NH2 2.94Å; E22-R25 PolarHBondContact OE2-NH2 3.25Å; C23-R25 VanDerWaalsContact C-N 3.33Å; C23-R25 PolarHBondContact O-N 3.11Å; R25-E28 PolarHBondContact O-N 3.29Å; R25-C29 WeakPolarHBondContact O-CB 3.31Å; R25-C29 PolarHBondContact O-N 2.9Å; R25-C29 PolarHBondContact O-SG 2.79Å; R25-V201 PolarHBondContact NH2-O 3.07Å
26M97.9Very high97.2Very high1 Ų138.1 Ų38.11%0.00523%0.229CC..Hα-helixtrans-63.4-43178.6-70.4-549400112.5P9 E22 C23 V24 C29 G30 A31 L34 V200 V201 P206P9-M26 HydrophobicContact CB-CB 4.44Å; P9-M26 HydrophobicContact CB-CG 3.98Å; P9-M26 HydrophobicContact CB-SD 3.95Å; P9-M26 HydrophobicContact CG-CB 4.16Å; P9-M26 HydrophobicContact CG-CG 4.15Å; P9-M26 HydrophobicContact CG-SD 4.02Å; E22-M26 WeakPolarHBondContact O-CG 3.32Å; E22-M26 PolarHBondContact O-N 3.19Å; C23-M26 PolarHBondContact O-N 2.9Å; V24-M26 VanDerWaalsContact C-N 3.34Å; V24-M26 PolarHBondContact O-N 2.86Å; M26-C29 PolarHBondContact O-N 3.16Å; M26-G30 PolarHBondContact O-N 3.39Å; M26-A31 HydrophobicContact CB-CB 4.38Å; M26-A31 VanDerWaalsContact O-CB 3.24Å; M26-A31 WeakPolarHBondContact O-CB 3.19Å; M26-A31 PolarHBondContact O-N 2.94Å; M26-L34 HydrophobicContact CB-CD2 3.87Å; M26-V200 HydrophobicContact SD-CG1 3.83Å; M26-V201 HydrophobicContact SD-CG2 4.23Å; M26-P206 HydrophobicContact CE-CB 3.95Å; M26-P206 HydrophobicContact CE-CG 4.01Å; M26-P206 HydrophobicContact SD-CB 4.5Å
27M97.9Very high97.4Very high50 Ų5034.3 Ų34.325%0.24621%0.209CC..Hα-helixtrans-63.6-44.9176.3-66.3-53.1-5900111.5C23 V24 C29 G30 A31 L34 P65C23-M27 WeakPolarHBondContact O-CG 3.47Å; C23-M27 PolarHBondContact O-N 2.74Å; V24-M27 PolarHBondContact O-N 2.9Å; M27-C29 VanDerWaalsContact C-N 3.31Å; M27-C29 PolarHBondContact O-N 3.18Å; M27-G30 WeakPolarHBondContact O-CA 3.5Å; M27-G30 PolarHBondContact O-N 3.26Å; M27-A31 HydrophobicContact SD-CB 4.16Å; M27-L34 HydrophobicContact CG-CD1 4.23Å; M27-L34 HydrophobicContact CG-CD2 4.34Å; M27-L34 HydrophobicContact CG-CG 4.33Å; M27-L34 HydrophobicContact SD-CD1 4.27Å; M27-L34 HydrophobicContact SD-CD2 3.96Å; M27-L34 HydrophobicContact SD-CG 3.79Å; M27-P65 HydrophobicContact CE-CB 4.01Å; M27-P65 HydrophobicContact CE-CG 4.3Å; M27-P65 HydrophobicContact CG-CB 4.21Å; M27-P65 HydrophobicContact CG-CG 4.23Å; M27-P65 HydrophobicContact SD-CB 4.11Å
28E97.8Very high97.6Very high132 Ų13230.2 Ų30.262%0.61718%0.175SC*.Hα-helixtrans-61.5-38.9175.9-72.7-178.816700111.9V24 R25 G30 R207V24-E28 HydrophobicContact CG1-CG 4.27Å; V24-E28 WeakPolarHBondContact O-CG 3.5Å; V24-E28 PolarHBondContact O-N 3.45Å; R25-E28 PolarHBondContact O-N 3.29Å; E28-G30 PolarHBondContact O-N 2.93Å; E28-G30 VanDerWaalsContact O-N 3.13Å; E28-R207 PolarHBondContact O-NH1 2.92Å; E28-R207 PolarHBondContact O-NH2 3.11Å
29C98.3Very high97.8Very high20 Ų2027.8 Ų27.814%0.13516%0.157CC..THydrogen-bonded Turntrans-66.6-5.1173.4-74.40000113.8R25 M26 M27 P206 R207 I210R25-C29 WeakPolarHBondContact O-CB 3.31Å; R25-C29 PolarHBondContact O-N 2.9Å; R25-C29 PolarHBondContact O-SG 2.79Å; M26-C29 PolarHBondContact O-N 3.16Å; M27-C29 VanDerWaalsContact C-N 3.31Å; M27-C29 PolarHBondContact O-N 3.18Å; C29-P206 HydrophobicContact CB-CB 4.24Å; C29-R207 HydrophobicContact CB-CB 4.16Å; C29-R207 WeakPolarHBondContact O-CA 3.45Å; C29-R207 WeakPolarHBondContact O-CG 3.43Å; C29-R207 PolarHBondContact O-NH1 2.91Å; C29-I210 HydrophobicContact CB-CD1 4.07Å
30G98.1Very high98Very high26 Ų2629 Ų2927%0.26816%0.163SC..THydrogen-bonded Turntrans93.229.8173.200000113.6M26 M27 E28 I210 R214M26-G30 PolarHBondContact O-N 3.39Å; M27-G30 WeakPolarHBondContact O-CA 3.5Å; M27-G30 PolarHBondContact O-N 3.26Å; E28-G30 PolarHBondContact O-N 2.93Å; E28-G30 VanDerWaalsContact O-N 3.13Å; G30-I210 WeakPolarHBondContact O-CG2 3.46Å; G30-R214 PolarHBondContact O-NH2 3.02Å
31A98.4Very high98.1Very high8 Ų829.8 Ų29.87%0.06617%0.172CC..  trans-60143.4164.400000110.9P9 M26 M27 I210P9-A31 VanDerWaalsContact CD-CB 3.47Å; P9-A31 HydrophobicContact CG-CB 3.79Å; M26-A31 HydrophobicContact CB-CB 4.38Å; M26-A31 VanDerWaalsContact O-CB 3.24Å; M26-A31 WeakPolarHBondContact O-CB 3.19Å; M26-A31 PolarHBondContact O-N 2.94Å; M27-A31 HydrophobicContact SD-CB 4.16Å; A31-I210 HydrophobicContact CB-CD1 4.45Å
32D98.6Very high98.1Very high67 Ų6732 Ų3236%0.35818%0.177SC..SBendtrans-85.7-27.6177.3-61.5-75.9000111.6K6 I7 R214K6-D32 WeakPolarHBondContact CA-OD2 3.36Å; K6-D32 HydrophobicContact CB-CB 4Å; K6-D32 HydrophobicContact CG-CB 4.35Å; I7-D32 PolarHBondContact N-OD2 2.91Å; I7-D32 PolarHBondContact O-N 2.82Å; D32-R214 IonicContact OD1-NE 3.74Å; D32-R214 IonicContact OD1-NH2 3.75Å; D32-R214 IonicContact OD2-CZ 3.52Å; D32-R214 IonicContact OD2-NE 2.72Å; D32-R214 PolarHBondContact OD2-NE 3.02Å; D32-R214 IonicContact OD2-NH2 2.73Å; D32-R214 PolarHBondContact OD2-NH2 3.26Å
33Y98.8Very high98.2Very high4 Ų432.3 Ų32.32%0.01618%0.178CC..  trans-154.8170.817663.2-75.4000110.1K6 I7 G8 P9 H35 F66 D68 E173 M193 I194K6-Y33 HydrophobicContact CB-CD1 4.2Å; K6-Y33 HydrophobicContact CB-CE1 3.9Å; I7-Y33 VanDerWaalsContact C-CE1 3.47Å; G8-Y33 VanDerWaalsContact CA-CE1 3.42Å; G8-Y33 WeakPolarHBondContact CA-O 3.42Å; P9-Y33 VanDerWaalsContact CD-O 3.29Å; P9-Y33 WeakPolarHBondContact CD-O 3.17Å; Y33-H35 HydrophobicContact CE2-CB 4.18Å; Y33-F66 WeakPolarHBondContact CA-O 3.48Å; Y33-F66 WeakPolarHBondContact CB-O 3.38Å; Y33-F66 HydrophobicContact CG-CD1 4.5Å; Y33-D68 HydrophobicContact CD2-CB 3.77Å; Y33-D68 HydrophobicContact CE2-CB 4.05Å; Y33-E173 VanDerWaalsContact CE2-OE1 3.28Å; Y33-E173 WeakPolarHBondContact CE2-OE1 3.25Å; Y33-E173 VanDerWaalsContact CZ-OE1 3.22Å; Y33-E173 PolarHBondContact OH-OE1 3.47Å; Y33-M193 HydrophobicContact CD1-CE 4.15Å; Y33-M193 HydrophobicContact CE1-CE 3.63Å; Y33-M193 HydrophobicContact CE2-CE 4.1Å; Y33-I194 PolarHBondContact OH-N 2.76Å
34L98.6Very high98.3Very high0 Ų032.6 Ų32.60%018%0.18CC..EExtended strand (participates in β ladder)trans-110.8128.3169.5-62.2175.7000108.9I11 C23 M26 M27 L36 F66 F67 D68I11-L34 HydrophobicContact CG2-CD2 4.27Å; C23-L34 HydrophobicContact CB-CD1 3.56Å; M26-L34 HydrophobicContact CB-CD2 3.87Å; M27-L34 HydrophobicContact CG-CD1 4.23Å; M27-L34 HydrophobicContact CG-CD2 4.34Å; M27-L34 HydrophobicContact CG-CG 4.33Å; M27-L34 HydrophobicContact SD-CD1 4.27Å; M27-L34 HydrophobicContact SD-CD2 3.96Å; M27-L34 HydrophobicContact SD-CG 3.79Å; L34-L36 HydrophobicContact CB-CD2 4.39Å; L34-F66 PolarHBondContact N-O 3Å; L34-F67 HydrophobicContact CB-CD1 4.24Å; L34-F67 HydrophobicContact CD1-CD1 4.28Å; L34-F67 HydrophobicContact CD1-CE1 3.79Å; L34-D68 PolarHBondContact O-N 2.87Å
35H98.7Very high98.3Very high0 Ų035 Ų350%020%0.197CC..EExtended strand (participates in β ladder)trans-96.4120.9176.1-173.492.6000109.2P9 I11 Y33 D37 D68 H70 E173 D175 V195P9-H35 PolarHBondContact O-N 3.32Å; P9-H35 VanDerWaalsContact O-N 3.13Å; I11-H35 PolarHBondContact N-O 3.32Å; Y33-H35 HydrophobicContact CE2-CB 4.18Å; H35-D37 IonicContact CD2-OD1 3.69Å; H35-D37 IonicContact CD2-OD2 2.67Å; H35-D37 IonicContact NE2-OD1 2.8Å; H35-D37 PolarHBondContact NE2-OD1 2.59Å; H35-D68 IonicContact CE1-OD2 3Å; H35-D68 PolarHBondContact CE1-OD2 3.33Å; H35-D68 IonicContact CG-OD2 3.54Å; H35-D68 IonicContact ND1-OD2 3.56Å; H35-D68 PolarHBondContact ND1-OD2 2.93Å; H35-H70 VanDerWaalsContact CE1-CB 3.45Å; H35-H70 WeakPolarHBondContact CE1-CB 3.38Å; H35-H70 AromaticContact CE1-CG 3.8Å; H35-H70 AromaticContact CE1-ND1 3.75Å; H35-H70 VanDerWaalsContact NE2-CB 3.3Å; H35-H70 WeakPolarHBondContact NE2-CB 3.43Å; H35-H70 AromaticContact NE2-CG 3.57Å; H35-H70 AromaticContact NE2-ND1 3.21Å; H35-H70 PolarHBondContact NE2-ND1 2.94Å; H35-E173 IonicContact CE1-OE2 3.74Å; H35-E173 IonicContact ND1-OE1 3.77Å; H35-E173 IonicContact ND1-OE2 3.31Å; H35-D175 IonicContact NE2-OD2 3.41Å; H35-V195 HydrophobicContact CB-CG1 4Å; H35-V195 HydrophobicContact CB-CG2 4.12Å; H35-V195 WeakPolarHBondContact ND1-CG2 3.46Å
36L98.3Very high98.3Very high0 Ų034.3 Ų34.30%020%0.198CC..EExtended strand (participates in β ladder)trans-116.8103.2-170.5-58.3-171.7000110.3I11 L34 V38 F49 V54 L57 F67 D68 M69 H70I11-L36 HydrophobicContact CD1-CD2 3.08Å; I11-L36 HydrophobicContact CG1-CD2 3.53Å; L34-L36 HydrophobicContact CB-CD2 4.39Å; L36-V38 PolarHBondContact O-N 2.92Å; L36-F49 HydrophobicContact CB-CE2 4.28Å; L36-F49 HydrophobicContact CB-CZ 4.19Å; L36-V54 HydrophobicContact CD1-CG2 4.49Å; L36-L57 HydrophobicContact CD1-CD1 4.31Å; L36-L57 HydrophobicContact CD2-CD1 4.34Å; L36-F67 HydrophobicContact CD1-CB 4.16Å; L36-F67 HydrophobicContact CD1-CD1 4.43Å; L36-F67 HydrophobicContact CD1-CD2 3.82Å; L36-F67 HydrophobicContact CD1-CE2 4.3Å; L36-F67 HydrophobicContact CD1-CG 3.89Å; L36-D68 PolarHBondContact N-O 3.29Å; L36-M69 HydrophobicContact CB-CE 3.53Å; L36-M69 HydrophobicContact CB-SD 3.87Å; L36-M69 HydrophobicContact CD1-CE 3.97Å; L36-M69 HydrophobicContact CD1-SD 3.61Å; L36-M69 HydrophobicContact CG-CE 4.34Å; L36-M69 HydrophobicContact CG-SD 4.18Å; L36-H70 PolarHBondContact O-N 3.01Å
37D98.2Very high98.3Very high7 Ų740.2 Ų40.24%0.03723%0.228CC..EExtended strand (participates in β ladder)trans-77.8109.8-179.4-67.4-65.2000112.3S10 L12 H35 M39 T48 H70 M72S10-D37 PolarHBondContact OG-OD2 3.21Å; L12-D37 HydrophobicContact CB-CB 4.39Å; L12-D37 HydrophobicContact CD2-CB 4.14Å; H35-D37 IonicContact CD2-OD1 3.69Å; H35-D37 IonicContact CD2-OD2 2.67Å; H35-D37 IonicContact NE2-OD1 2.8Å; H35-D37 PolarHBondContact NE2-OD1 2.59Å; D37-M39 HydrophobicContact CB-CE 4.22Å; D37-T48 WeakPolarHBondContact O-CB 3.45Å; D37-T48 PolarHBondContact O-OG1 3.37Å; D37-H70 IonicContact OD1-CG 3.95Å; D37-H70 IonicContact OD1-ND1 3.79Å; D37-H70 PolarHBondContact OD1-ND1 3.18Å; D37-M72 HydrophobicContact CB-CE 3.64Å; D37-M72 WeakPolarHBondContact OD1-CE 3.46Å
38V98.5Very high98.2Very high7 Ų739.3 Ų39.34%0.04223%0.225CC..EExtended strand (participates in β ladder)trans-106.9114.4-179.9173.50000109.8L36 T48 F49 M69 H70 M71 M72 V73 M83L36-V38 PolarHBondContact O-N 2.92Å; V38-T48 WeakPolarHBondContact CA-OG1 3.33Å; V38-F49 WeakPolarHBondContact CG1-O 3.29Å; V38-F49 HydrophobicContact CG2-CD2 4.25Å; V38-F49 HydrophobicContact CG2-CE2 3.94Å; V38-M69 HydrophobicContact CG2-CE 3.52Å; V38-H70 PolarHBondContact N-O 2.78Å; V38-M71 HydrophobicContact CB-CE 4.09Å; V38-M71 HydrophobicContact CB-SD 3.84Å; V38-M71 HydrophobicContact CG1-CE 3.65Å; V38-M71 HydrophobicContact CG1-SD 4.08Å; V38-M71 HydrophobicContact CG2-SD 4.04Å; V38-M72 CarbonylContact O-C 3.59Å; V38-M72 WeakPolarHBondContact O-CA 3.45Å; V38-M72 WeakPolarHBondContact O-CB 3.44Å; V38-M72 PolarHBondContact O-N 2.53Å; V38-V73 HydrophobicContact CG1-CG1 3.89Å; V38-M83 HydrophobicContact CB-CE 4.41Å; V38-M83 HydrophobicContact CG1-CE 3.97Å; V38-M83 HydrophobicContact CG2-CE 3.76Å
39M98.6Very high98.2Very high10 Ų1034.5 Ų34.55%0.04920%0.203CC..EExtended strand (participates in β ladder)trans-123.1133-175.8-54.6-178.6-174.800111.2L12 D37 V44 N46 T48 M72L12-M39 HydrophobicContact CD2-CE 3.71Å; D37-M39 HydrophobicContact CB-CE 4.22Å; M39-V44 HydrophobicContact CB-CG2 3.61Å; M39-V44 HydrophobicContact CG-CG2 3.66Å; M39-V44 HydrophobicContact SD-CG2 3.85Å; M39-N46 VanDerWaalsContact CB-O 3.26Å; M39-N46 WeakPolarHBondContact CB-O 3.46Å; M39-N46 HydrophobicContact SD-CB 3.77Å; M39-T48 HydrophobicContact CB-CG2 4.01Å; M39-T48 HydrophobicContact CE-CG2 4.23Å; M39-T48 HydrophobicContact CG-CG2 3.75Å; M39-T48 PolarHBondContact N-OG1 2.95Å; M39-T48 PolarHBondContact O-N 3.36Å; M39-T48 HydrophobicContact SD-CG2 3.63Å; M39-M72 HydrophobicContact CE-CE 3.34Å; M39-M72 HydrophobicContact CE-SD 3.82Å; M39-M72 HydrophobicContact CG-CB 4.12Å; M39-M72 HydrophobicContact CG-CE 3.83Å; M39-M72 HydrophobicContact CG-SD 4.28Å; M39-M72 HydrophobicContact SD-CE 4.38Å
40D98.6Very high98.2Very high31 Ų3135 Ų3517%0.16621%0.21CC..BIsolated β-bridgetrans-101.93.8-175.474.1-10.2000115N42 F43 V73 S74D40-N42 PolarHBondContact O-N 3.3Å; D40-N42 VanDerWaalsContact O-N 3.16Å; D40-N42 PolarHBondContact O-ND2 3.48Å; D40-N42 WeakPolarHBondContact OD1-CA 3.47Å; D40-N42 WeakPolarHBondContact OD1-CB 3.24Å; D40-N42 PolarHBondContact OD1-N 3.13Å; D40-F43 PolarHBondContact OD1-N 2.9Å; D40-V73 HydrophobicContact CB-CB 4.12Å; D40-V73 HydrophobicContact CB-CG1 3.92Å; D40-S74 WeakPolarHBondContact OD2-CB 3.25Å; D40-S74 PolarHBondContact OD2-N 2.85Å; D40-S74 PolarHBondContact OD2-OG 2.94Å
41G98.4Very high98.3Very high32 Ų3236.3 Ų36.333%0.3321%0.21SC..SBendtrans70.22-176.800000115.2V44 N46G41-V44 CarbonylContact C-O 3.6Å; G41-V44 WeakPolarHBondContact CA-O 3.23Å; G41-N46 WeakPolarHBondContact CA-O 3.44Å; G41-N46 PolarHBondContact N-O 3.08Å
42N98.3Very high98.3Very high129 Ų12939.3 Ų39.369%0.6923%0.229SC*.SBendtrans-112.8-51-179.1-69.9-94.4000111.2D40D40-N42 PolarHBondContact O-N 3.3Å; D40-N42 VanDerWaalsContact O-N 3.16Å; D40-N42 PolarHBondContact O-ND2 3.48Å; D40-N42 WeakPolarHBondContact OD1-CA 3.47Å; D40-N42 WeakPolarHBondContact OD1-CB 3.24Å; D40-N42 PolarHBondContact OD1-N 3.13Å
43F98.6Very high98.2Very high40 Ų4039 Ų3918%0.17523%0.226CC..SBendtrans-71.8-38.9176.3177.3-117.9000111.8D40 M72 H94 E96 T97 K120D40-F43 PolarHBondContact OD1-N 2.9Å; F43-M72 HydrophobicContact CD1-CB 4.04Å; F43-M72 HydrophobicContact CE1-CB 4.48Å; F43-H94 HydrophobicContact CE1-CB 3.84Å; F43-H94 AromaticContact CE1-CD2 3.47Å; F43-H94 VanDerWaalsContact CE1-CD2 3.47Å; F43-H94 WeakPolarHBondContact CE1-CD2 3.34Å; F43-H94 AromaticContact CE1-CG 3.42Å; F43-H94 VanDerWaalsContact CE1-CG 3.42Å; F43-H94 AromaticContact CE1-ND1 3.84Å; F43-H94 AromaticContact CE1-NE2 3.85Å; F43-H94 HydrophobicContact CZ-CB 3.71Å; F43-H94 AromaticContact CZ-CG 3.58Å; F43-H94 AromaticContact CZ-ND1 3.78Å; F43-E96 HydrophobicContact CE2-CB 4.1Å; F43-E96 HydrophobicContact CZ-CB 4.31Å; F43-T97 HydrophobicContact CB-CG2 4.37Å; F43-T97 HydrophobicContact CD1-CG2 3.89Å; F43-T97 HydrophobicContact CD2-CG2 3.21Å; F43-T97 HydrophobicContact CE1-CG2 3.9Å; F43-T97 HydrophobicContact CE2-CG2 3.2Å; F43-T97 HydrophobicContact CG-CG2 3.55Å; F43-T97 HydrophobicContact CZ-CG2 3.54Å; F43-K120 HydrophobicContact CE1-CD 4.42Å; F43-K120 HydrophobicContact CZ-CD 3.82Å; F43-K120 HydrophobicContact CZ-CG 4.31Å
44V98.3Very high98.2Very high5 Ų538.8 Ų38.83%0.0323%0.225CC..SBendtrans-125150.4173.4-63.70000109.6M39 G41 N46 M72 P145M39-V44 HydrophobicContact CB-CG2 3.61Å; M39-V44 HydrophobicContact CG-CG2 3.66Å; M39-V44 HydrophobicContact SD-CG2 3.85Å; G41-V44 CarbonylContact C-O 3.6Å; G41-V44 WeakPolarHBondContact CA-O 3.23Å; V44-N46 PolarHBondContact O-N 2.82Å; V44-M72 HydrophobicContact CG1-CB 4.1Å; V44-M72 HydrophobicContact CG1-CG 4.39Å; V44-M72 HydrophobicContact CG1-SD 4.35Å; V44-M72 HydrophobicContact CG2-CB 3.98Å; V44-P145 HydrophobicContact CG1-CB 3.86Å; V44-P145 HydrophobicContact CG1-CG 4.01Å
45P97.1Very high98.2Very high99 Ų9943.6 Ų43.664%0.64325%0.247SC*.SBendtrans-80.745-174.335.4-39.1000113.1F147P45-F147 HydrophobicContact CG-CE2 3.75Å; P45-F147 HydrophobicContact CG-CZ 4.22Å; P45-F147 WeakPolarHBondContact O-CZ 3.37Å
46N97.4Very high98.2Very high53 Ų5347.1 Ų47.128%0.28327%0.271SS..  trans-153.5157.7177.8-167.514.5000110.6M39 G41 V44 G146 F147M39-N46 VanDerWaalsContact CB-O 3.26Å; M39-N46 WeakPolarHBondContact CB-O 3.46Å; M39-N46 HydrophobicContact SD-CB 3.77Å; G41-N46 WeakPolarHBondContact CA-O 3.44Å; G41-N46 PolarHBondContact N-O 3.08Å; V44-N46 PolarHBondContact O-N 2.82Å; N46-G146 WeakPolarHBondContact CB-O 3.4Å; N46-G146 PolarHBondContact ND2-O 2.78Å; N46-F147 HydrophobicContact CB-CE1 4.25Å; N46-F147 HydrophobicContact CB-CZ 4.47Å
47I97.9Very high98.2Very high125 Ų12547.2 Ų47.264%0.64127%0.271SS*.BIsolated β-bridgetrans-126.8128177.6-59.7172.1000107.9
48T97.4Very high98.2Very high30 Ų3048.1 Ų48.118%0.18427%0.274CS..  trans-109-92.1179.956.50000110.8L12 D37 V38 M39L12-T48 HydrophobicContact CD1-CG2 3.44Å; L12-T48 VanDerWaalsContact CD1-CG2 3.44Å; L12-T48 HydrophobicContact CD2-CG2 3.96Å; L12-T48 HydrophobicContact CG-CG2 4.37Å; D37-T48 WeakPolarHBondContact O-CB 3.45Å; D37-T48 PolarHBondContact O-OG1 3.37Å; V38-T48 WeakPolarHBondContact CA-OG1 3.33Å; M39-T48 HydrophobicContact CB-CG2 4.01Å; M39-T48 HydrophobicContact CE-CG2 4.23Å; M39-T48 HydrophobicContact CG-CG2 3.75Å; M39-T48 PolarHBondContact N-OG1 2.95Å; M39-T48 PolarHBondContact O-N 3.36Å; M39-T48 HydrophobicContact SD-CG2 3.63Å
49F97.9Very high98.1Very high32 Ų3253.7 Ų53.714%0.1430%0.304CS..  trans-151.5167.7179.353.3-101.2000109.6L19 L36 V38 M53 V54L19-F49 HydrophobicContact CD2-CE1 4.3Å; L36-F49 HydrophobicContact CB-CE2 4.28Å; L36-F49 HydrophobicContact CB-CZ 4.19Å; V38-F49 WeakPolarHBondContact CG1-O 3.29Å; V38-F49 HydrophobicContact CG2-CD2 4.25Å; V38-F49 HydrophobicContact CG2-CE2 3.94Å; F49-M53 HydrophobicContact CB-CB 3.76Å; F49-M53 HydrophobicContact CB-CG 4Å; F49-M53 HydrophobicContact CD2-CB 3.97Å; F49-M53 HydrophobicContact CD2-CG 4.08Å; F49-M53 HydrophobicContact CG-CB 4.03Å; F49-M53 HydrophobicContact CG-CG 3.94Å; F49-V54 HydrophobicContact CE2-CG2 4.48Å
50G98.3Very high98Very high29 Ų2956.6 Ų56.630%0.29932%0.324SS..  trans-120.9-168.8177.500000113P52 M53 V54G50-P52 VanDerWaalsContact C-N 3.29Å; G50-P52 WeakPolarHBondContact O-CD 3.42Å; G50-P52 VanDerWaalsContact O-N 3.14Å; G50-M53 WeakPolarHBondContact O-CB 3.34Å; G50-M53 PolarHBondContact O-N 3.19Å; G50-V54 PolarHBondContact O-N 3.36Å
51H98.6Very high97.8Very high55 Ų5556.3 Ų56.326%0.25532%0.324SS..Hα-helixtrans-52.9-30.2-179.667.385.8000115.6M53 V54 E55 P82 M83 A86H51-M53 VanDerWaalsContact C-N 3.26Å; H51-M53 PolarHBondContact O-N 3.17Å; H51-V54 WeakPolarHBondContact O-CB 3.36Å; H51-V54 PolarHBondContact O-N 3.01Å; H51-V54 VanDerWaalsContact O-N 3.15Å; H51-E55 PolarHBondContact O-N 2.89Å; H51-P82 HydrophobicContact CB-CB 4.1Å; H51-M83 HydrophobicContact CB-CE 4.01Å; H51-M83 HydrophobicContact CB-CG 4.39Å; H51-M83 HydrophobicContact CB-SD 3.57Å; H51-M83 VanDerWaalsContact CB-SD 3.57Å; H51-A86 HydrophobicContact CB-CB 4.16Å; H51-A86 WeakPolarHBondContact O-CB 3.45Å
52P98.6Very high97.7Very high71 Ų7156 Ų5646%0.46132%0.32SS..Hα-helixtrans-63.5-32.7175.3-22.635.9000112.9G50 C56G50-P52 VanDerWaalsContact C-N 3.29Å; G50-P52 WeakPolarHBondContact O-CD 3.42Å; G50-P52 VanDerWaalsContact O-N 3.14Å; P52-C56 PolarHBondContact O-N 3.36Å; P52-C56 PolarHBondContact O-SG 2.96Å; P52-C56 VanDerWaalsContact O-SG 3.38Å
53M98Very high97.6Very high60 Ų6054.8 Ų54.830%0.29632%0.319SS..Hα-helixtrans-70.5-40.1174.6-175.374.9-8000110.9L19 F49 G50 H51 E55 C56 L57L19-M53 HydrophobicContact CD2-CG 4.2Å; L19-M53 HydrophobicContact CD2-SD 4.3Å; F49-M53 HydrophobicContact CB-CB 3.76Å; F49-M53 HydrophobicContact CB-CG 4Å; F49-M53 HydrophobicContact CD2-CB 3.97Å; F49-M53 HydrophobicContact CD2-CG 4.08Å; F49-M53 HydrophobicContact CG-CB 4.03Å; F49-M53 HydrophobicContact CG-CG 3.94Å; G50-M53 WeakPolarHBondContact O-CB 3.34Å; G50-M53 PolarHBondContact O-N 3.19Å; H51-M53 VanDerWaalsContact C-N 3.26Å; H51-M53 PolarHBondContact O-N 3.17Å; M53-E55 VanDerWaalsContact C-N 3.31Å; M53-E55 PolarHBondContact O-N 2.67Å; M53-C56 HydrophobicContact CE-CB 3.41Å; M53-C56 VanDerWaalsContact CE-CB 3.41Å; M53-C56 WeakPolarHBondContact O-CB 3.28Å; M53-C56 PolarHBondContact O-N 2.78Å; M53-L57 HydrophobicContact CE-CG 4.34Å; M53-L57 HydrophobicContact CG-CD1 4.36Å; M53-L57 HydrophobicContact CG-CG 4.43Å; M53-L57 WeakPolarHBondContact O-CG 3.41Å; M53-L57 PolarHBondContact O-N 2.95Å
54V98.5Very high97.5Very high0 Ų060 Ų600%035%0.349CS..Hα-helixtrans-59.8-42.7177.4-178.30000111.1L36 F49 G50 H51 L57 R58 F67 M69 M83 A86L36-V54 HydrophobicContact CD1-CG2 4.49Å; F49-V54 HydrophobicContact CE2-CG2 4.48Å; G50-V54 PolarHBondContact O-N 3.36Å; H51-V54 WeakPolarHBondContact O-CB 3.36Å; H51-V54 PolarHBondContact O-N 3.01Å; H51-V54 VanDerWaalsContact O-N 3.15Å; V54-L57 PolarHBondContact O-N 3.4Å; V54-R58 WeakPolarHBondContact O-CB 3.4Å; V54-R58 PolarHBondContact O-N 3.03Å; V54-F67 HydrophobicContact CG1-CD2 3.9Å; V54-F67 HydrophobicContact CG1-CE2 4.24Å; V54-M69 HydrophobicContact CG1-CE 4.47Å; V54-M69 HydrophobicContact CG1-SD 4.05Å; V54-M69 HydrophobicContact CG2-CE 3.42Å; V54-M69 VanDerWaalsContact CG2-CE 3.42Å; V54-M69 HydrophobicContact CG2-SD 4.09Å; V54-M83 HydrophobicContact CB-SD 4.44Å; V54-M83 HydrophobicContact CG2-CE 4.34Å; V54-M83 HydrophobicContact CG2-SD 3.9Å; V54-A86 HydrophobicContact CB-CB 3.98Å; V54-A86 HydrophobicContact CG1-CB 3.98Å
55E98.6Very high97.5Very high101 Ų10160.5 Ų60.547%0.47235%0.352SS..Hα-helixtrans-61.5-45.8176.2-175179.4-18000111.5H51 M53 L57 R58 N59 A86H51-E55 PolarHBondContact O-N 2.89Å; M53-E55 VanDerWaalsContact C-N 3.31Å; M53-E55 PolarHBondContact O-N 2.67Å; E55-L57 PolarHBondContact O-N 3.3Å; E55-R58 PolarHBondContact O-N 3.13Å; E55-N59 PolarHBondContact O-N 3.03Å; E55-N59 PolarHBondContact O-ND2 2.86Å; E55-A86 HydrophobicContact CB-CB 4.01Å
56C98Very high97.5Very high73 Ų7357.9 Ų57.949%0.49333%0.331SS..Hα-helixtrans-60.2-43.4174.1-72.20000112.4P52 M53 N59 C60P52-C56 PolarHBondContact O-N 3.36Å; P52-C56 PolarHBondContact O-SG 2.96Å; P52-C56 VanDerWaalsContact O-SG 3.38Å; M53-C56 HydrophobicContact CE-CB 3.41Å; M53-C56 VanDerWaalsContact CE-CB 3.41Å; M53-C56 WeakPolarHBondContact O-CB 3.28Å; M53-C56 PolarHBondContact O-N 2.78Å; C56-N59 PolarHBondContact O-N 2.92Å; C56-C60 WeakPolarHBondContact O-CB 3.37Å; C56-C60 PolarHBondContact O-N 3.31Å
57L97.9Very high97.6Very high2 Ų255.4 Ų55.41%0.0132%0.318CS..Hα-helixtrans-64.1-44.1177.2-70.2177.5000111.3I11 L19 L36 M53 V54 E55 N59 C60 V61 F67I11-L57 HydrophobicContact CD1-CD1 4.13Å; L19-L57 HydrophobicContact CB-CD2 4.12Å; L19-L57 HydrophobicContact CD2-CD1 3.91Å; L19-L57 HydrophobicContact CD2-CD2 4.19Å; L19-L57 HydrophobicContact CD2-CG 4.5Å; L19-L57 HydrophobicContact CG-CD1 4.31Å; L19-L57 HydrophobicContact CG-CD2 3.94Å; L36-L57 HydrophobicContact CD1-CD1 4.31Å; L36-L57 HydrophobicContact CD2-CD1 4.34Å; M53-L57 HydrophobicContact CE-CG 4.34Å; M53-L57 HydrophobicContact CG-CD1 4.36Å; M53-L57 HydrophobicContact CG-CG 4.43Å; M53-L57 WeakPolarHBondContact O-CG 3.41Å; M53-L57 PolarHBondContact O-N 2.95Å; V54-L57 PolarHBondContact O-N 3.4Å; E55-L57 PolarHBondContact O-N 3.3Å; L57-N59 VanDerWaalsContact C-N 3.31Å; L57-N59 PolarHBondContact O-N 3.26Å; L57-C60 WeakPolarHBondContact O-CA 3.42Å; L57-C60 WeakPolarHBondContact O-CB 3.23Å; L57-C60 PolarHBondContact O-N 3.49Å; L57-V61 WeakPolarHBondContact O-CG2 3.41Å; L57-V61 PolarHBondContact O-N 2.91Å; L57-F67 HydrophobicContact CB-CE2 4.12Å; L57-F67 HydrophobicContact CB-CZ 4.11Å
58R98.1Very high97.6Very high27 Ų2749.4 Ų49.410%0.10229%0.287CS..Hα-helixtrans-58.2-44.5176.8177.755.465.5-163.46.7111.5V54 E55 C60 G62 P63 P65 F67 G87 N89V54-R58 WeakPolarHBondContact O-CB 3.4Å; V54-R58 PolarHBondContact O-N 3.03Å; E55-R58 PolarHBondContact O-N 3.13Å; R58-C60 VanDerWaalsContact C-N 3.25Å; R58-C60 PolarHBondContact O-N 3.26Å; R58-G62 VanDerWaalsContact CD-O 3.25Å; R58-G62 WeakPolarHBondContact CD-O 3.28Å; R58-G62 PolarHBondContact NH1-O 3.23Å; R58-G62 WeakPolarHBondContact O-CA 3.39Å; R58-G62 PolarHBondContact O-N 3.31Å; R58-P63 PolarHBondContact NH1-O 2.82Å; R58-P65 PolarHBondContact NH1-O 3.05Å; R58-P65 PolarHBondContact NH2-O 3.31Å; R58-F67 HydrophobicContact CB-CE2 4Å; R58-G87 PolarHBondContact NE-O 2.82Å; R58-G87 VanDerWaalsContact NE-O 3.08Å; R58-G87 PolarHBondContact NH2-O 2.99Å; R58-N89 PolarHBondContact NH2-OD1 3.32Å
59N97.2Very high97.7Very high123 Ų12348 Ų4866%0.65828%0.278SS*.Hα-helixtrans-64.1-30.9175.3-71.3-30.5000112.8E55 C56 L57E55-N59 PolarHBondContact O-N 3.03Å; E55-N59 PolarHBondContact O-ND2 2.86Å; C56-N59 PolarHBondContact O-N 2.92Å; L57-N59 VanDerWaalsContact C-N 3.31Å; L57-N59 PolarHBondContact O-N 3.26Å
60C95.7Very high97.8Very high71 Ų7146.5 Ų46.548%0.4827%0.272SS..Hα-helixtrans-77.1-44.5179.1-176.80000112.9C56 L57 R58C56-C60 WeakPolarHBondContact O-CB 3.37Å; C56-C60 PolarHBondContact O-N 3.31Å; L57-C60 WeakPolarHBondContact O-CA 3.42Å; L57-C60 WeakPolarHBondContact O-CB 3.23Å; L57-C60 PolarHBondContact O-N 3.49Å; R58-C60 VanDerWaalsContact C-N 3.25Å; R58-C60 PolarHBondContact O-N 3.26Å
61V95.6Very high97.8Very high25 Ų2545.1 Ų45.115%0.15226%0.257CS..Hα-helixtrans-97.4-8.8-172.8-50.20000114.4C23 V24 L57 P65 F67C23-V61 HydrophobicContact CB-CG1 3.66Å; V24-V61 HydrophobicContact CG2-CG1 3.94Å; L57-V61 WeakPolarHBondContact O-CG2 3.41Å; L57-V61 PolarHBondContact O-N 2.91Å; V61-P65 HydrophobicContact CB-CG 4.09Å; V61-P65 HydrophobicContact CG2-CB 3.99Å; V61-P65 HydrophobicContact CG2-CG 3.77Å; V61-F67 HydrophobicContact CG2-CE1 3.71Å; V61-F67 HydrophobicContact CG2-CZ 3.5Å
62G96.2Very high97.8Very high25 Ų2542.6 Ų42.626%0.25825%0.246SC..  trans84.5-178.3-179.500000113.9R58R58-G62 VanDerWaalsContact CD-O 3.25Å; R58-G62 WeakPolarHBondContact CD-O 3.28Å; R58-G62 PolarHBondContact NH1-O 3.23Å; R58-G62 WeakPolarHBondContact O-CA 3.39Å; R58-G62 PolarHBondContact O-N 3.31Å
63P95.3Very high97.8Very high104 Ų10439.3 Ų39.368%0.67523%0.225SC*.SBendtrans-78.8-22.6-170.831.3-35.8000114.2R58R58-P63 PolarHBondContact NH1-O 2.82Å
64D97Very high97.8Very high151 Ų15138.7 Ų38.781%0.80723%0.226SC*.SBendtrans-74.5-40.5-169.7-60.1-26.3000114.3F66D64-F66 PolarHBondContact O-N 3.08Å
65P97.5Very high97.8Very high14 Ų1446.5 Ų46.59%0.09126%0.255CS..SBendtrans-59.3133.8-179.8-29.539.6000112.9M27 R58 V61 F67 N89M27-P65 HydrophobicContact CE-CB 4.01Å; M27-P65 HydrophobicContact CE-CG 4.3Å; M27-P65 HydrophobicContact CG-CB 4.21Å; M27-P65 HydrophobicContact CG-CG 4.23Å; M27-P65 HydrophobicContact SD-CB 4.11Å; R58-P65 PolarHBondContact NH1-O 3.05Å; R58-P65 PolarHBondContact NH2-O 3.31Å; V61-P65 HydrophobicContact CB-CG 4.09Å; V61-P65 HydrophobicContact CG2-CB 3.99Å; V61-P65 HydrophobicContact CG2-CG 3.77Å; P65-F67 HydrophobicContact CB-CE1 4.11Å; P65-N89 PolarHBondContact O-OD1 2.8Å
66F98.7Very high97.8Very high45 Ų4541.7 Ų41.720%0.19723%0.233CC..  trans-82.2124.4178.3-171.1-83.1000110.8Y33 L34 D64 D68 N89 Q90 K114Y33-F66 WeakPolarHBondContact CA-O 3.48Å; Y33-F66 WeakPolarHBondContact CB-O 3.38Å; Y33-F66 HydrophobicContact CG-CD1 4.5Å; L34-F66 PolarHBondContact N-O 3Å; D64-F66 PolarHBondContact O-N 3.08Å; F66-D68 HydrophobicContact CE1-CB 4.23Å; F66-N89 WeakPolarHBondContact CA-OD1 3.24Å; F66-N89 HydrophobicContact CD1-CB 4.25Å; F66-N89 HydrophobicContact CD2-CB 3.51Å; F66-N89 HydrophobicContact CE1-CB 4.22Å; F66-N89 HydrophobicContact CE2-CB 3.46Å; F66-N89 VanDerWaalsContact CE2-CB 3.46Å; F66-N89 HydrophobicContact CG-CB 3.95Å; F66-N89 HydrophobicContact CZ-CB 3.85Å; F66-Q90 HydrophobicContact CE1-CB 3.75Å; F66-Q90 HydrophobicContact CZ-CB 3.65Å; F66-K114 HydrophobicContact CE2-CD 4.04Å; F66-K114 HydrophobicContact CZ-CD 4Å
67F98.8Very high97.9Very high0 Ų041.5 Ų41.50%023%0.225CC..EExtended strand (participates in β ladder)trans-102.8115175.2-69.41.1000110.2L34 L36 V54 L57 R58 V61 P65 M69 N89 Q90L34-F67 HydrophobicContact CB-CD1 4.24Å; L34-F67 HydrophobicContact CD1-CD1 4.28Å; L34-F67 HydrophobicContact CD1-CE1 3.79Å; L36-F67 HydrophobicContact CD1-CB 4.16Å; L36-F67 HydrophobicContact CD1-CD1 4.43Å; L36-F67 HydrophobicContact CD1-CD2 3.82Å; L36-F67 HydrophobicContact CD1-CE2 4.3Å; L36-F67 HydrophobicContact CD1-CG 3.89Å; V54-F67 HydrophobicContact CG1-CD2 3.9Å; V54-F67 HydrophobicContact CG1-CE2 4.24Å; L57-F67 HydrophobicContact CB-CE2 4.12Å; L57-F67 HydrophobicContact CB-CZ 4.11Å; R58-F67 HydrophobicContact CB-CE2 4Å; V61-F67 HydrophobicContact CG2-CE1 3.71Å; V61-F67 HydrophobicContact CG2-CZ 3.5Å; P65-F67 HydrophobicContact CB-CE1 4.11Å; F67-M69 HydrophobicContact CB-SD 4.18Å; F67-N89 PolarHBondContact N-OD1 2.94Å; F67-N89 PolarHBondContact O-N 3.19Å; F67-N89 VanDerWaalsContact O-N 3.11Å; F67-Q90 PolarHBondContact O-N 2.76Å
68D98.9Very high97.9Very high0 Ų046.3 Ų46.30%025%0.247CC..EExtended strand (participates in β ladder)trans-94.6112.6167.2175.342.3000109.4Y33 L34 H35 L36 F66 Q90 T92Y33-D68 HydrophobicContact CD2-CB 3.77Å; Y33-D68 HydrophobicContact CE2-CB 4.05Å; L34-D68 PolarHBondContact O-N 2.87Å; H35-D68 IonicContact CE1-OD2 3Å; H35-D68 PolarHBondContact CE1-OD2 3.33Å; H35-D68 IonicContact CG-OD2 3.54Å; H35-D68 IonicContact ND1-OD2 3.56Å; H35-D68 PolarHBondContact ND1-OD2 2.93Å; L36-D68 PolarHBondContact N-O 3.29Å; F66-D68 HydrophobicContact CE1-CB 4.23Å; D68-Q90 PolarHBondContact OD1-NE2 2.79Å; D68-T92 PolarHBondContact OD1-OG1 3.36Å
69M98.9Very high98Very high0 Ų048.4 Ų48.40%026%0.255CS..EExtended strand (participates in β ladder)trans-91.5108.5-178.8-54-53.6-46.500109.6L36 V38 V54 F67 M71 M83 A88 Q90 T92L36-M69 HydrophobicContact CB-CE 3.53Å; L36-M69 HydrophobicContact CB-SD 3.87Å; L36-M69 HydrophobicContact CD1-CE 3.97Å; L36-M69 HydrophobicContact CD1-SD 3.61Å; L36-M69 HydrophobicContact CG-CE 4.34Å; L36-M69 HydrophobicContact CG-SD 4.18Å; V38-M69 HydrophobicContact CG2-CE 3.52Å; V54-M69 HydrophobicContact CG1-CE 4.47Å; V54-M69 HydrophobicContact CG1-SD 4.05Å; V54-M69 HydrophobicContact CG2-CE 3.42Å; V54-M69 VanDerWaalsContact CG2-CE 3.42Å; V54-M69 HydrophobicContact CG2-SD 4.09Å; F67-M69 HydrophobicContact CB-SD 4.18Å; M69-M71 HydrophobicContact CB-CG 4.15Å; M69-M71 HydrophobicContact CB-SD 3.74Å; M69-M71 PolarHBondContact O-N 2.98Å; M69-M83 HydrophobicContact CE-CE 4.14Å; M69-M83 HydrophobicContact CE-SD 4.04Å; M69-A88 HydrophobicContact CG-CB 3.4Å; M69-A88 HydrophobicContact SD-CB 4.05Å; M69-Q90 VanDerWaalsContact CB-O 3.32Å; M69-Q90 WeakPolarHBondContact CB-O 3.45Å; M69-Q90 WeakPolarHBondContact CG-O 3.35Å; M69-Q90 PolarHBondContact N-O 2.99Å; M69-T92 WeakPolarHBondContact O-CA 3.49Å; M69-T92 WeakPolarHBondContact O-CB 3.43Å; M69-T92 PolarHBondContact O-N 3.1Å
70H98.9Very high98Very high0 Ų042.5 Ų42.50%022%0.224CC..EExtended strand (participates in β ladder)trans-87.999.9174.3-176-165.3000109.9H35 L36 D37 V38 M72 H94 M141 D175H35-H70 VanDerWaalsContact CE1-CB 3.45Å; H35-H70 WeakPolarHBondContact CE1-CB 3.38Å; H35-H70 AromaticContact CE1-CG 3.8Å; H35-H70 AromaticContact CE1-ND1 3.75Å; H35-H70 VanDerWaalsContact NE2-CB 3.3Å; H35-H70 WeakPolarHBondContact NE2-CB 3.43Å; H35-H70 AromaticContact NE2-CG 3.57Å; H35-H70 AromaticContact NE2-ND1 3.21Å; H35-H70 PolarHBondContact NE2-ND1 2.94Å; L36-H70 PolarHBondContact O-N 3.01Å; D37-H70 IonicContact OD1-CG 3.95Å; D37-H70 IonicContact OD1-ND1 3.79Å; D37-H70 PolarHBondContact OD1-ND1 3.18Å; V38-H70 PolarHBondContact N-O 2.78Å; H70-M72 PolarHBondContact O-N 3.42Å; H70-H94 AromaticContact CD2-NE2 3.94Å; H70-H94 AromaticContact NE2-CD2 3.86Å; H70-H94 AromaticContact NE2-NE2 3.11Å; H70-H94 PolarHBondContact NE2-NE2 3.16Å; H70-H94 VanDerWaalsContact NE2-NE2 3.11Å; H70-M141 PolarHBondContact CE1-SD 2.82Å; H70-D175 IonicContact CE1-OD2 3.89Å; H70-D175 IonicContact ND1-OD2 3.91Å
71M98.8Very high98.2Very high0 Ų045.8 Ų45.80%023%0.23CC..EExtended strand (participates in β ladder)trans-91.678.4-167.6-57.9-61.4-52.900110.8V38 M69 V73 W79 M83 Y91 T92V38-M71 HydrophobicContact CB-CE 4.09Å; V38-M71 HydrophobicContact CB-SD 3.84Å; V38-M71 HydrophobicContact CG1-CE 3.65Å; V38-M71 HydrophobicContact CG1-SD 4.08Å; V38-M71 HydrophobicContact CG2-SD 4.04Å; M69-M71 HydrophobicContact CB-CG 4.15Å; M69-M71 HydrophobicContact CB-SD 3.74Å; M69-M71 PolarHBondContact O-N 2.98Å; M71-V73 HydrophobicContact CB-CG2 4.16Å; M71-V73 HydrophobicContact CE-CG1 4.13Å; M71-V73 HydrophobicContact CE-CG2 4.1Å; M71-V73 PolarHBondContact O-N 3.46Å; M71-W79 HydrophobicContact CE-CB 3.93Å; M71-W79 HydrophobicContact CE-CG 4.31Å; M71-M83 HydrophobicContact CE-CE 3.71Å; M71-M83 HydrophobicContact CE-CG 4.29Å; M71-M83 HydrophobicContact SD-CE 3.83Å; M71-M83 HydrophobicContact SD-CG 4.27Å; M71-Y91 HydrophobicContact CB-CE1 4.13Å; M71-Y91 HydrophobicContact CE-CE2 3.83Å; M71-Y91 WeakPolarHBondContact CE-OH 3.44Å; M71-Y91 HydrophobicContact CG-CD1 4.04Å; M71-Y91 HydrophobicContact CG-CD2 3.91Å; M71-Y91 HydrophobicContact CG-CE1 3.74Å; M71-Y91 HydrophobicContact CG-CE2 3.57Å; M71-Y91 HydrophobicContact CG-CG 4.14Å; M71-Y91 VanDerWaalsContact CG-CZ 3.47Å; M71-Y91 HydrophobicContact SD-CD2 4.3Å; M71-Y91 HydrophobicContact SD-CE2 3.79Å; M71-T92 WeakPolarHBondContact CB-O 3.31Å; M71-T92 PolarHBondContact N-O 3.11Å
72M98.8Very high98.3Very high2 Ų246.3 Ų46.31%0.0123%0.234CC..EExtended strand (participates in β ladder)trans-78.861.4171.3-70.6172.9-82.200110.9D37 V38 M39 F43 V44 H70 P145D37-M72 HydrophobicContact CB-CE 3.64Å; D37-M72 WeakPolarHBondContact OD1-CE 3.46Å; V38-M72 CarbonylContact O-C 3.59Å; V38-M72 WeakPolarHBondContact O-CA 3.45Å; V38-M72 WeakPolarHBondContact O-CB 3.44Å; V38-M72 PolarHBondContact O-N 2.53Å; M39-M72 HydrophobicContact CE-CE 3.34Å; M39-M72 HydrophobicContact CE-SD 3.82Å; M39-M72 HydrophobicContact CG-CB 4.12Å; M39-M72 HydrophobicContact CG-CE 3.83Å; M39-M72 HydrophobicContact CG-SD 4.28Å; M39-M72 HydrophobicContact SD-CE 4.38Å; F43-M72 HydrophobicContact CD1-CB 4.04Å; F43-M72 HydrophobicContact CE1-CB 4.48Å; V44-M72 HydrophobicContact CG1-CB 4.1Å; V44-M72 HydrophobicContact CG1-CG 4.39Å; V44-M72 HydrophobicContact CG1-SD 4.35Å; V44-M72 HydrophobicContact CG2-CB 3.98Å; H70-M72 PolarHBondContact O-N 3.42Å; M72-P145 HydrophobicContact CG-CB 4.22Å; M72-P145 HydrophobicContact SD-CB 3.46Å; M72-P145 WeakPolarHBondContact SD-CB 3.48Å
73V98.8Very high98.5Very high3 Ų345.2 Ų45.22%0.01822%0.222CC..  trans-128.4144.4-174.7-56.40000111.2V38 D40 M71 R75 P76 T97V38-V73 HydrophobicContact CG1-CG1 3.89Å; D40-V73 HydrophobicContact CB-CB 4.12Å; D40-V73 HydrophobicContact CB-CG1 3.92Å; M71-V73 HydrophobicContact CB-CG2 4.16Å; M71-V73 HydrophobicContact CE-CG1 4.13Å; M71-V73 HydrophobicContact CE-CG2 4.1Å; M71-V73 PolarHBondContact O-N 3.46Å; V73-R75 VanDerWaalsContact C-N 3.28Å; V73-R75 PolarHBondContact O-N 3.45Å; V73-P76 HydrophobicContact CG2-CB 4.23Å; V73-T97 WeakPolarHBondContact O-CB 3.27Å; V73-T97 VanDerWaalsContact O-CG2 3.23Å; V73-T97 WeakPolarHBondContact O-CG2 3.19Å
74S98.6Very high98.6Very high46 Ų4641.6 Ų41.632%0.32220%0.201SC..SBendtrans-72.1-18.8-174.158.50000114.5D40D40-S74 WeakPolarHBondContact OD2-CB 3.25Å; D40-S74 PolarHBondContact OD2-N 2.85Å; D40-S74 PolarHBondContact OD2-OG 2.94Å
75R98.4Very high98.7Very high164 Ų16438.7 Ų38.762%0.61920%0.198SC*.  trans-134.773.1-179.3-64-176.3-178.9-176.1-0.1110V73 E77 Q78 W79V73-R75 VanDerWaalsContact C-N 3.28Å; V73-R75 PolarHBondContact O-N 3.45Å; R75-E77 PolarHBondContact O-N 3.23Å; R75-Q78 HydrophobicContact CB-CB 4.39Å; R75-Q78 WeakPolarHBondContact O-CB 3.16Å; R75-Q78 PolarHBondContact O-N 3.42Å; R75-W79 PolarHBondContact O-NE1 2.79Å
76P98.8Very high98.8Very high0 Ų038.2 Ų38.20%020%0.195CC..G310 helixtrans-62.2-28.8-173.928-38.1000113.3V73 Q78 W79 Y91 F93 T97 L104V73-P76 HydrophobicContact CG2-CB 4.23Å; P76-Q78 PolarHBondContact O-N 2.91Å; P76-W79 PolarHBondContact O-N 2.83Å; P76-Y91 HydrophobicContact CB-CE1 4.22Å; P76-Y91 PolarHBondContact O-OH 3.21Å; P76-F93 HydrophobicContact CB-CB 3.96Å; P76-T97 WeakPolarHBondContact CD-O 3.41Å; P76-T97 WeakPolarHBondContact CG-OG1 2.79Å; P76-L104 HydrophobicContact CB-CD2 3.79Å; P76-L104 HydrophobicContact CG-CD2 3.54Å
77E98.8Very high98.8Very high69 Ų6937.2 Ų37.232%0.32220%0.197SC..G310 helixtrans-59-34.1177.9-59.679.5179.800112R75 W79 T98 L104R75-E77 PolarHBondContact O-N 3.23Å; E77-W79 PolarHBondContact O-N 3.36Å; E77-T98 VanDerWaalsContact OE1-CB 3.26Å; E77-T98 WeakPolarHBondContact OE1-CB 3.45Å; E77-T98 PolarHBondContact OE1-OG1 2.97Å; E77-L104 HydrophobicContact CG-CD1 4.22Å
78Q98.7Very high98.8Very high104 Ų10437.6 Ų37.649%0.48620%0.201SC..G310 helixtrans-63.5-27.5-176.4-178.1175-19.100113.1R75 P76R75-Q78 HydrophobicContact CB-CB 4.39Å; R75-Q78 WeakPolarHBondContact O-CB 3.16Å; R75-Q78 PolarHBondContact O-N 3.42Å; P76-Q78 PolarHBondContact O-N 2.91Å
79W98.8Very high98.8Very high70 Ų7040 Ų4027%0.26521%0.214SC..G310 helixtrans-108.6-2.6-166.8-44.6104.1000114.2M71 R75 P76 E77 P82 M83 Y91M71-W79 HydrophobicContact CE-CB 3.93Å; M71-W79 HydrophobicContact CE-CG 4.31Å; R75-W79 PolarHBondContact O-NE1 2.79Å; P76-W79 PolarHBondContact O-N 2.83Å; E77-W79 PolarHBondContact O-N 3.36Å; W79-P82 WeakPolarHBondContact O-CD 3.43Å; W79-M83 HydrophobicContact CB-CG 4.45Å; W79-M83 VanDerWaalsContact O-CB 3.3Å; W79-M83 WeakPolarHBondContact O-CB 3.35Å; W79-M83 VanDerWaalsContact O-CG 3.26Å; W79-M83 WeakPolarHBondContact O-CG 3.31Å; W79-M83 PolarHBondContact O-N 3.24Å; W79-Y91 HydrophobicContact CB-CE2 4.36Å; W79-Y91 WeakPolarHBondContact CB-OH 3.43Å
80V98.9Very high98.8Very high0 Ų040.3 Ų40.30%022%0.215CC..Hα-helixtrans-57.8-57.4-179-178.90000111.2M83 A84 Y91 L104 E107 I108 S111 M113V80-M83 PolarHBondContact O-N 3.26Å; V80-A84 WeakPolarHBondContact O-CB 3.45Å; V80-A84 PolarHBondContact O-N 3.18Å; V80-Y91 HydrophobicContact CG2-CE1 4.14Å; V80-Y91 HydrophobicContact CG2-CE2 4.46Å; V80-L104 HydrophobicContact CG2-CD1 3.51Å; V80-E107 HydrophobicContact CB-CG 4.41Å; V80-E107 HydrophobicContact CG1-CG 4.11Å; V80-I108 HydrophobicContact CG1-CB 4.42Å; V80-I108 HydrophobicContact CG1-CG1 3.94Å; V80-I108 HydrophobicContact CG2-CG1 3.95Å; V80-S111 WeakPolarHBondContact CG1-OG 3.39Å; V80-M113 HydrophobicContact CG1-CE 3.64Å; V80-M113 VanDerWaalsContact O-CE 3.31Å; V80-M113 WeakPolarHBondContact O-CE 3.31Å
81K98.8Very high98.8Very high139 Ų13940.3 Ų40.360%0.60422%0.215SC*.Hα-helixtrans-65.6-44.3-178.8-61.2178.8-174.7175.30112.8M83 A84 A85K81-M83 VanDerWaalsContact C-N 3.34Å; K81-M83 PolarHBondContact O-N 3.03Å; K81-A84 PolarHBondContact O-N 2.84Å; K81-A85 WeakPolarHBondContact O-CB 3.42Å; K81-A85 PolarHBondContact O-N 3.34Å
82P98.9Very high98.8Very high36 Ų3640.3 Ų40.323%0.23422%0.215CC..Hα-helixtrans-57.3-41.6172.9-27.634.7000114.2H51 W79 A85 A86H51-P82 HydrophobicContact CB-CB 4.1Å; W79-P82 WeakPolarHBondContact O-CD 3.43Å; P82-A85 PolarHBondContact O-N 3.28Å; P82-A86 WeakPolarHBondContact O-CB 3.29Å; P82-A86 PolarHBondContact O-N 3.42Å
83M98.9Very high98.8Very high2 Ų240.2 Ų40.21%0.0122%0.215CC..Hα-helixtrans-69.7-40.8178.2-73.6-60.3-176.500112.4V38 H51 V54 M69 M71 W79 V80 K81 A85 A86 G87 A88 Y91 M113V38-M83 HydrophobicContact CB-CE 4.41Å; V38-M83 HydrophobicContact CG1-CE 3.97Å; V38-M83 HydrophobicContact CG2-CE 3.76Å; H51-M83 HydrophobicContact CB-CE 4.01Å; H51-M83 HydrophobicContact CB-CG 4.39Å; H51-M83 HydrophobicContact CB-SD 3.57Å; H51-M83 VanDerWaalsContact CB-SD 3.57Å; V54-M83 HydrophobicContact CB-SD 4.44Å; V54-M83 HydrophobicContact CG2-CE 4.34Å; V54-M83 HydrophobicContact CG2-SD 3.9Å; M69-M83 HydrophobicContact CE-CE 4.14Å; M69-M83 HydrophobicContact CE-SD 4.04Å; M71-M83 HydrophobicContact CE-CE 3.71Å; M71-M83 HydrophobicContact CE-CG 4.29Å; M71-M83 HydrophobicContact SD-CE 3.83Å; M71-M83 HydrophobicContact SD-CG 4.27Å; W79-M83 HydrophobicContact CB-CG 4.45Å; W79-M83 VanDerWaalsContact O-CB 3.3Å; W79-M83 WeakPolarHBondContact O-CB 3.35Å; W79-M83 VanDerWaalsContact O-CG 3.26Å; W79-M83 WeakPolarHBondContact O-CG 3.31Å; W79-M83 PolarHBondContact O-N 3.24Å; V80-M83 PolarHBondContact O-N 3.26Å; K81-M83 VanDerWaalsContact C-N 3.34Å; K81-M83 PolarHBondContact O-N 3.03Å; M83-A85 VanDerWaalsContact C-N 3.33Å; M83-A85 PolarHBondContact O-N 3.21Å; M83-A86 PolarHBondContact O-N 2.89Å; M83-G87 PolarHBondContact O-N 3.16Å; M83-A88 HydrophobicContact CB-CB 4.11Å; M83-A88 VanDerWaalsContact O-CB 3.31Å; M83-A88 WeakPolarHBondContact O-CB 3.46Å; M83-A88 PolarHBondContact O-N 3.27Å; M83-A88 VanDerWaalsContact O-N 3.07Å; M83-Y91 HydrophobicContact CB-CD2 3.99Å; M83-Y91 HydrophobicContact CB-CE2 4.02Å; M83-Y91 HydrophobicContact CG-CD2 4.18Å; M83-Y91 HydrophobicContact CG-CE2 3.81Å; M83-M113 HydrophobicContact CB-SD 4.38Å
84A98.8Very high98.8Very high29 Ų2940.1 Ų40.124%0.2421%0.214CC..Hα-helixtrans-59.4-45.8173.800000111.2V80 K81 A86 G87 M113V80-A84 WeakPolarHBondContact O-CB 3.45Å; V80-A84 PolarHBondContact O-N 3.18Å; K81-A84 PolarHBondContact O-N 2.84Å; A84-A86 VanDerWaalsContact C-N 3.28Å; A84-A86 PolarHBondContact O-N 3.24Å; A84-G87 PolarHBondContact O-N 2.82Å; A84-M113 HydrophobicContact CB-CE 3.91Å; A84-M113 HydrophobicContact CB-CG 4.17Å; A84-M113 HydrophobicContact CB-SD 3.92Å
85A98.7Very high98.8Very high89 Ų8939 Ų3974%0.73620%0.204SC*.Hα-helixtrans-62.7-34.1176.600000112.7K81 P82 M83 G87K81-A85 WeakPolarHBondContact O-CB 3.42Å; K81-A85 PolarHBondContact O-N 3.34Å; P82-A85 PolarHBondContact O-N 3.28Å; M83-A85 VanDerWaalsContact C-N 3.33Å; M83-A85 PolarHBondContact O-N 3.21Å; A85-G87 PolarHBondContact O-N 2.98Å
86A98.7Very high98.8Very high5 Ų534.1 Ų34.14%0.04119%0.188CC..THydrogen-bonded Turntrans-73.9-6.8175.200000113.9H51 V54 E55 P82 M83 A84H51-A86 HydrophobicContact CB-CB 4.16Å; H51-A86 WeakPolarHBondContact O-CB 3.45Å; V54-A86 HydrophobicContact CB-CB 3.98Å; V54-A86 HydrophobicContact CG1-CB 3.98Å; E55-A86 HydrophobicContact CB-CB 4.01Å; P82-A86 WeakPolarHBondContact O-CB 3.29Å; P82-A86 PolarHBondContact O-N 3.42Å; M83-A86 PolarHBondContact O-N 2.89Å; A84-A86 VanDerWaalsContact C-N 3.28Å; A84-A86 PolarHBondContact O-N 3.24Å
87G98.4Very high98.8Very high23 Ų2334.9 Ų34.924%0.23719%0.193CC..THydrogen-bonded Turntrans87.828.2177.500000114.7R58 M83 A84 A85R58-G87 PolarHBondContact NE-O 2.82Å; R58-G87 VanDerWaalsContact NE-O 3.08Å; R58-G87 PolarHBondContact NH2-O 2.99Å; M83-G87 PolarHBondContact O-N 3.16Å; A84-G87 PolarHBondContact O-N 2.82Å; A85-G87 PolarHBondContact O-N 2.98Å
88A98.8Very high98.7Very high9 Ų932.6 Ų32.67%0.07418%0.184CC..  trans-63.6144.8166.800000111.4M69 M83 M113M69-A88 HydrophobicContact CG-CB 3.4Å; M69-A88 HydrophobicContact SD-CB 4.05Å; M83-A88 HydrophobicContact CB-CB 4.11Å; M83-A88 VanDerWaalsContact O-CB 3.31Å; M83-A88 WeakPolarHBondContact O-CB 3.46Å; M83-A88 PolarHBondContact O-N 3.27Å; M83-A88 VanDerWaalsContact O-N 3.07Å; A88-M113 HydrophobicContact CB-SD 3.73Å
89N98.9Very high98.6Very high51 Ų5135 Ų3527%0.27321%0.206SC..SBendtrans-99.7-34.6177.1-59.8101.9000112.3R58 P65 F66 F67 K114R58-N89 PolarHBondContact NH2-OD1 3.32Å; P65-N89 PolarHBondContact O-OD1 2.8Å; F66-N89 WeakPolarHBondContact CA-OD1 3.24Å; F66-N89 HydrophobicContact CD1-CB 4.25Å; F66-N89 HydrophobicContact CD2-CB 3.51Å; F66-N89 HydrophobicContact CE1-CB 4.22Å; F66-N89 HydrophobicContact CE2-CB 3.46Å; F66-N89 VanDerWaalsContact CE2-CB 3.46Å; F66-N89 HydrophobicContact CG-CB 3.95Å; F66-N89 HydrophobicContact CZ-CB 3.85Å; F67-N89 PolarHBondContact N-OD1 2.94Å; F67-N89 PolarHBondContact O-N 3.19Å; F67-N89 VanDerWaalsContact O-N 3.11Å; N89-K114 PolarHBondContact O-N 3.39Å
90Q98.9Very high98.5Very high6 Ų635.2 Ų35.23%0.02821%0.212CC..EExtended strand (participates in β ladder)trans-131.7141.2176.5-179166.4-79.400110.6F66 F67 D68 M69 T92 K114 M137F66-Q90 HydrophobicContact CE1-CB 3.75Å; F66-Q90 HydrophobicContact CZ-CB 3.65Å; F67-Q90 PolarHBondContact O-N 2.76Å; D68-Q90 PolarHBondContact OD1-NE2 2.79Å; M69-Q90 VanDerWaalsContact CB-O 3.32Å; M69-Q90 WeakPolarHBondContact CB-O 3.45Å; M69-Q90 WeakPolarHBondContact CG-O 3.35Å; M69-Q90 PolarHBondContact N-O 2.99Å; Q90-T92 PolarHBondContact NE2-OG1 2.95Å; Q90-K114 WeakPolarHBondContact CA-O 3.5Å; Q90-K114 HydrophobicContact CB-CB 3.97Å; Q90-K114 HydrophobicContact CG-CB 4.02Å; Q90-M137 PolarHBondContact NE2-SD 3.07Å
91Y98.9Very high98.4Very high0 Ų035.4 Ų35.40%021%0.214CC..EExtended strand (participates in β ladder)trans-115.4103.8175.4-164.7-84.3000108.7M71 P76 W79 V80 M83 F93 I108 M113 K114 G116M71-Y91 HydrophobicContact CB-CE1 4.13Å; M71-Y91 HydrophobicContact CE-CE2 3.83Å; M71-Y91 WeakPolarHBondContact CE-OH 3.44Å; M71-Y91 HydrophobicContact CG-CD1 4.04Å; M71-Y91 HydrophobicContact CG-CD2 3.91Å; M71-Y91 HydrophobicContact CG-CE1 3.74Å; M71-Y91 HydrophobicContact CG-CE2 3.57Å; M71-Y91 HydrophobicContact CG-CG 4.14Å; M71-Y91 VanDerWaalsContact CG-CZ 3.47Å; M71-Y91 HydrophobicContact SD-CD2 4.3Å; M71-Y91 HydrophobicContact SD-CE2 3.79Å; P76-Y91 HydrophobicContact CB-CE1 4.22Å; P76-Y91 PolarHBondContact O-OH 3.21Å; W79-Y91 HydrophobicContact CB-CE2 4.36Å; W79-Y91 WeakPolarHBondContact CB-OH 3.43Å; V80-Y91 HydrophobicContact CG2-CE1 4.14Å; V80-Y91 HydrophobicContact CG2-CE2 4.46Å; M83-Y91 HydrophobicContact CB-CD2 3.99Å; M83-Y91 HydrophobicContact CB-CE2 4.02Å; M83-Y91 HydrophobicContact CG-CD2 4.18Å; M83-Y91 HydrophobicContact CG-CE2 3.81Å; Y91-F93 HydrophobicContact CD1-CB 4.21Å; Y91-F93 HydrophobicContact CE1-CB 3.98Å; Y91-I108 HydrophobicContact CD1-CD1 3.52Å; Y91-I108 HydrophobicContact CD1-CG1 3.87Å; Y91-I108 HydrophobicContact CE1-CD1 4.26Å; Y91-I108 HydrophobicContact CG-CD1 4.22Å; Y91-I108 HydrophobicContact CG-CG1 4.19Å; Y91-M113 HydrophobicContact CD2-CE 3.84Å; Y91-M113 HydrophobicContact CD2-SD 4.38Å; Y91-M113 HydrophobicContact CG-CE 4.1Å; Y91-K114 PolarHBondContact N-O 3.02Å; Y91-G116 PolarHBondContact O-N 3.41Å
92T98.9Very high98.4Very high0 Ų029.7 Ų29.70%019%0.194CC..EExtended strand (participates in β ladder)trans-99.599.2-178-60.20000109.2D68 M69 M71 Q90 G116 A118 M137 L139D68-T92 PolarHBondContact OD1-OG1 3.36Å; M69-T92 WeakPolarHBondContact O-CA 3.49Å; M69-T92 WeakPolarHBondContact O-CB 3.43Å; M69-T92 PolarHBondContact O-N 3.1Å; M71-T92 WeakPolarHBondContact CB-O 3.31Å; M71-T92 PolarHBondContact N-O 3.11Å; Q90-T92 PolarHBondContact NE2-OG1 2.95Å; T92-G116 WeakPolarHBondContact CA-O 3.33Å; T92-G116 WeakPolarHBondContact OG1-CA 3.44Å; T92-A118 HydrophobicContact CG2-CB 4.1Å; T92-M137 HydrophobicContact CG2-CE 4.01Å; T92-M137 WeakPolarHBondContact OG1-CE 3.39Å; T92-L139 HydrophobicContact CG2-CB 4.06Å; T92-L139 HydrophobicContact CG2-CD2 3.93Å
93F98.9Very high98.4Very high0 Ų032.8 Ų32.80%021%0.209CC..EExtended strand (participates in β ladder)trans-99.6155.5-178.772.8-83.4000111.8P76 Y91 T98 A101 L104 I105 I108 V115 G116 L117 A118P76-F93 HydrophobicContact CB-CB 3.96Å; Y91-F93 HydrophobicContact CD1-CB 4.21Å; Y91-F93 HydrophobicContact CE1-CB 3.98Å; F93-T98 HydrophobicContact CD2-CG2 4.07Å; F93-T98 HydrophobicContact CE2-CG2 3.68Å; F93-A101 HydrophobicContact CE2-CB 4.15Å; F93-A101 HydrophobicContact CZ-CB 4.15Å; F93-L104 HydrophobicContact CB-CD2 4.22Å; F93-L104 HydrophobicContact CD1-CD2 4.03Å; F93-L104 HydrophobicContact CD1-CG 4.25Å; F93-L104 HydrophobicContact CD2-CD2 3.47Å; F93-L104 VanDerWaalsContact CD2-CD2 3.47Å; F93-L104 HydrophobicContact CD2-CG 4.43Å; F93-L104 HydrophobicContact CE1-CD2 4.23Å; F93-L104 HydrophobicContact CE1-CG 4.21Å; F93-L104 HydrophobicContact CE2-CD2 3.71Å; F93-L104 HydrophobicContact CE2-CG 4.4Å; F93-L104 HydrophobicContact CG-CD2 3.64Å; F93-L104 HydrophobicContact CG-CG 4.36Å; F93-L104 HydrophobicContact CZ-CD2 4.07Å; F93-L104 HydrophobicContact CZ-CG 4.27Å; F93-I105 HydrophobicContact CE1-CG1 3.93Å; F93-I105 HydrophobicContact CZ-CD1 4.48Å; F93-I105 HydrophobicContact CZ-CG1 3.9Å; F93-I108 HydrophobicContact CD1-CD1 3.64Å; F93-I108 HydrophobicContact CE1-CD1 3.89Å; F93-V115 HydrophobicContact CE1-CG1 4.21Å; F93-G116 WeakPolarHBondContact CD1-O 3.44Å; F93-G116 PolarHBondContact N-O 3.41Å; F93-G116 VanDerWaalsContact N-O 3.15Å; F93-L117 HydrophobicContact CD2-CD1 3.95Å; F93-L117 HydrophobicContact CE1-CD1 4.09Å; F93-L117 HydrophobicContact CE2-CD1 3.46Å; F93-L117 VanDerWaalsContact CE2-CD1 3.46Å; F93-L117 HydrophobicContact CG-CD1 4.46Å; F93-L117 HydrophobicContact CZ-CD1 3.56Å; F93-L117 WeakPolarHBondContact O-CA 3.48Å; F93-A118 PolarHBondContact O-N 3.04Å
94H98.9Very high98.4Very high0 Ų032.8 Ų32.80%021%0.209CC..EExtended strand (participates in β ladder)trans-79.9131.2175.1-90.5-85.6000112F43 H70 E96 T97F43-H94 HydrophobicContact CE1-CB 3.84Å; F43-H94 AromaticContact CE1-CD2 3.47Å; F43-H94 VanDerWaalsContact CE1-CD2 3.47Å; F43-H94 WeakPolarHBondContact CE1-CD2 3.34Å; F43-H94 AromaticContact CE1-CG 3.42Å; F43-H94 VanDerWaalsContact CE1-CG 3.42Å; F43-H94 AromaticContact CE1-ND1 3.84Å; F43-H94 AromaticContact CE1-NE2 3.85Å; F43-H94 HydrophobicContact CZ-CB 3.71Å; F43-H94 AromaticContact CZ-CG 3.58Å; F43-H94 AromaticContact CZ-ND1 3.78Å; H70-H94 AromaticContact CD2-NE2 3.94Å; H70-H94 AromaticContact NE2-CD2 3.86Å; H70-H94 AromaticContact NE2-NE2 3.11Å; H70-H94 PolarHBondContact NE2-NE2 3.16Å; H70-H94 VanDerWaalsContact NE2-NE2 3.11Å; H94-E96 WeakPolarHBondContact CB-OE2 3.47Å; H94-E96 IonicContact CG-OE2 3.57Å; H94-E96 IonicContact ND1-OE2 2.77Å; H94-E96 PolarHBondContact ND1-OE2 3.47Å; H94-E96 PolarHBondContact O-N 3.34Å; H94-E96 VanDerWaalsContact O-N 3.17Å; H94-T97 HydrophobicContact CB-CG2 3.72Å; H94-T97 PolarHBondContact O-N 2.83Å; H94-T97 VanDerWaalsContact O-N 3.11Å; H94-T97 PolarHBondContact O-OG1 3.42Å
95L98.8Very high98.4Very high23 Ų2331.7 Ų31.712%0.1220%0.199CC..G310 helixtrans-57.3-32.4175.1-177.358.5000111.5T97 A101 L117 A118 I119 E127L95-T97 PolarHBondContact O-N 3.15Å; L95-A101 HydrophobicContact CD1-CB 4.19Å; L95-L117 HydrophobicContact CB-CD1 3.84Å; L95-L117 HydrophobicContact CB-CG 4.48Å; L95-L117 HydrophobicContact CD1-CD1 4.28Å; L95-L117 HydrophobicContact CD1-CD2 4.45Å; L95-A118 PolarHBondContact N-O 2.93Å; L95-I119 HydrophobicContact CB-CG2 4.02Å; L95-I119 HydrophobicContact CD2-CG2 4.05Å; L95-E127 HydrophobicContact CD2-CB 3.81Å; L95-E127 WeakPolarHBondContact CD2-O 3.27Å
96E98.6Very high98.4Very high61 Ų6133.2 Ų33.229%0.28519%0.189SC..G310 helixtrans-71.6-12.6-178-54.686.1169.300114.1F43 H94 K120 T123F43-E96 HydrophobicContact CE2-CB 4.1Å; F43-E96 HydrophobicContact CZ-CB 4.31Å; H94-E96 WeakPolarHBondContact CB-OE2 3.47Å; H94-E96 IonicContact CG-OE2 3.57Å; H94-E96 IonicContact ND1-OE2 2.77Å; H94-E96 PolarHBondContact ND1-OE2 3.47Å; H94-E96 PolarHBondContact O-N 3.34Å; H94-E96 VanDerWaalsContact O-N 3.17Å; E96-K120 WeakPolarHBondContact OE1-CB 3.49Å; E96-K120 PolarHBondContact OE1-N 2.84Å; E96-T123 HydrophobicContact CG-CG2 4.49Å; E96-T123 WeakPolarHBondContact CG-OG1 3.37Å; E96-T123 WeakPolarHBondContact OE1-CB 3.41Å; E96-T123 PolarHBondContact OE1-OG1 3.28Å
97T98.5Very high98.4Very high17 Ų1735.5 Ų35.510%0.10420%0.199CC..G310 helixtrans-100.6-0.3-172.161.70000114.2F43 V73 P76 H94 L95F43-T97 HydrophobicContact CB-CG2 4.37Å; F43-T97 HydrophobicContact CD1-CG2 3.89Å; F43-T97 HydrophobicContact CD2-CG2 3.21Å; F43-T97 HydrophobicContact CE1-CG2 3.9Å; F43-T97 HydrophobicContact CE2-CG2 3.2Å; F43-T97 HydrophobicContact CG-CG2 3.55Å; F43-T97 HydrophobicContact CZ-CG2 3.54Å; V73-T97 WeakPolarHBondContact O-CB 3.27Å; V73-T97 VanDerWaalsContact O-CG2 3.23Å; V73-T97 WeakPolarHBondContact O-CG2 3.19Å; P76-T97 WeakPolarHBondContact CD-O 3.41Å; P76-T97 WeakPolarHBondContact CG-OG1 2.79Å; H94-T97 HydrophobicContact CB-CG2 3.72Å; H94-T97 PolarHBondContact O-N 2.83Å; H94-T97 VanDerWaalsContact O-N 3.11Å; H94-T97 PolarHBondContact O-OG1 3.42Å; L95-T97 PolarHBondContact O-N 3.15Å
98T97.6Very high98.4Very high20 Ų2034.4 Ų34.412%0.12319%0.188CC..  trans-138.3145.4177.7-175.60000111.6E77 F93 N100 A101 L104E77-T98 VanDerWaalsContact OE1-CB 3.26Å; E77-T98 WeakPolarHBondContact OE1-CB 3.45Å; E77-T98 PolarHBondContact OE1-OG1 2.97Å; F93-T98 HydrophobicContact CD2-CG2 4.07Å; F93-T98 HydrophobicContact CE2-CG2 3.68Å; T98-N100 PolarHBondContact OG1-N 3.3Å; T98-N100 VanDerWaalsContact OG1-N 3.08Å; T98-A101 HydrophobicContact CG2-CB 4.06Å; T98-L104 HydrophobicContact CG2-CD2 4.1Å
99T95.8Very high98.4Very high154 Ų15438.8 Ų38.895%0.94520%0.202SC*.SBendtrans-91.9-2.7170.256.10000112.3
100N96.4Very high98.4Very high75 Ų7543 Ų4340%0.40122%0.221SC..  trans-140.360.4-174.9-161.9-20.8000112.1T98 G102 N103 L104T98-N100 PolarHBondContact OG1-N 3.3Å; T98-N100 VanDerWaalsContact OG1-N 3.08Å; N100-G102 PolarHBondContact O-N 3Å; N100-N103 PolarHBondContact ND2-ND2 3.43Å; N100-N103 PolarHBondContact O-N 3.4Å; N100-N103 WeakPolarHBondContact OD1-CB 3.33Å; N100-N103 PolarHBondContact OD1-N 3.48Å; N100-L104 PolarHBondContact O-N 3.48Å
101A97.9Very high98.4Very high4 Ų444.4 Ų44.43%0.03323%0.23CC..Hα-helixtrans-53.6-38.4-179.300000113F93 L95 T98 N103 L104 I105 W131F93-A101 HydrophobicContact CE2-CB 4.15Å; F93-A101 HydrophobicContact CZ-CB 4.15Å; L95-A101 HydrophobicContact CD1-CB 4.19Å; T98-A101 HydrophobicContact CG2-CB 4.06Å; A101-N103 PolarHBondContact O-N 2.91Å; A101-L104 PolarHBondContact O-N 2.95Å; A101-I105 WeakPolarHBondContact O-CB 3.4Å; A101-I105 WeakPolarHBondContact O-CG1 3.4Å; A101-I105 PolarHBondContact O-N 3.29Å; A101-W131 HydrophobicContact CB-CD2 4.14Å; A101-W131 HydrophobicContact CB-CE3 4.39Å; A101-W131 HydrophobicContact CB-CH2 4.09Å; A101-W131 HydrophobicContact CB-CZ2 3.81Å; A101-W131 HydrophobicContact CB-CZ3 4.37Å
102G98.4Very high98.4Very high19 Ų1947.8 Ų47.820%0.19627%0.265CS..Hα-helixtrans-60.2-43.2179.200000113.8N100 K106 W131N100-G102 PolarHBondContact O-N 3Å; G102-K106 PolarHBondContact O-N 3.38Å; G102-K106 VanDerWaalsContact O-N 3.15Å; G102-W131 VanDerWaalsContact CA-CZ3 3.47Å
103N98.5Very high98.4Very high102 Ų10248.1 Ų48.155%0.54527%0.267SS..Hα-helixtrans-68.6-39.6176.1-79.3-7.3000111.9N100 A101 K106 E107N100-N103 PolarHBondContact ND2-ND2 3.43Å; N100-N103 PolarHBondContact O-N 3.4Å; N100-N103 WeakPolarHBondContact OD1-CB 3.33Å; N100-N103 PolarHBondContact OD1-N 3.48Å; A101-N103 PolarHBondContact O-N 2.91Å; N103-K106 WeakPolarHBondContact O-CB 3.3Å; N103-K106 PolarHBondContact O-N 3.22Å; N103-E107 PolarHBondContact O-N 3.46Å
104L98.8Very high98.4Very high2 Ų252.8 Ų52.81%0.0129%0.287CS..Hα-helixtrans-65.4-43.4177.5176.654.8000112P76 E77 V80 F93 T98 N100 A101 K106 E107 I108P76-L104 HydrophobicContact CB-CD2 3.79Å; P76-L104 HydrophobicContact CG-CD2 3.54Å; E77-L104 HydrophobicContact CG-CD1 4.22Å; V80-L104 HydrophobicContact CG2-CD1 3.51Å; F93-L104 HydrophobicContact CB-CD2 4.22Å; F93-L104 HydrophobicContact CD1-CD2 4.03Å; F93-L104 HydrophobicContact CD1-CG 4.25Å; F93-L104 HydrophobicContact CD2-CD2 3.47Å; F93-L104 VanDerWaalsContact CD2-CD2 3.47Å; F93-L104 HydrophobicContact CD2-CG 4.43Å; F93-L104 HydrophobicContact CE1-CD2 4.23Å; F93-L104 HydrophobicContact CE1-CG 4.21Å; F93-L104 HydrophobicContact CE2-CD2 3.71Å; F93-L104 HydrophobicContact CE2-CG 4.4Å; F93-L104 HydrophobicContact CG-CD2 3.64Å; F93-L104 HydrophobicContact CG-CG 4.36Å; F93-L104 HydrophobicContact CZ-CD2 4.07Å; F93-L104 HydrophobicContact CZ-CG 4.27Å; T98-L104 HydrophobicContact CG2-CD2 4.1Å; N100-L104 PolarHBondContact O-N 3.48Å; A101-L104 PolarHBondContact O-N 2.95Å; L104-K106 VanDerWaalsContact C-N 3.26Å; L104-K106 PolarHBondContact O-N 3.23Å; L104-E107 PolarHBondContact O-N 3.11Å; L104-E107 VanDerWaalsContact O-N 3.16Å; L104-I108 HydrophobicContact CD1-CD1 3.94Å; L104-I108 HydrophobicContact CD1-CG1 4.06Å; L104-I108 HydrophobicContact CG-CD1 3.9Å; L104-I108 WeakPolarHBondContact O-CD1 3.31Å; L104-I108 VanDerWaalsContact O-CG1 3.27Å; L104-I108 WeakPolarHBondContact O-CG1 3.38Å; L104-I108 PolarHBondContact O-N 2.93Å
105I98.9Very high98.4Very high5 Ų552.8 Ų52.83%0.02629%0.287CS..Hα-helixtrans-54.4-46.5172.8-70.7166.7000110.1F93 A101 I108 R109 V115 W131 Q134 I135F93-I105 HydrophobicContact CE1-CG1 3.93Å; F93-I105 HydrophobicContact CZ-CD1 4.48Å; F93-I105 HydrophobicContact CZ-CG1 3.9Å; A101-I105 WeakPolarHBondContact O-CB 3.4Å; A101-I105 WeakPolarHBondContact O-CG1 3.4Å; A101-I105 PolarHBondContact O-N 3.29Å; I105-I108 PolarHBondContact O-N 3.47Å; I105-R109 WeakPolarHBondContact O-CG 3.34Å; I105-R109 PolarHBondContact O-N 3.32Å; I105-R109 VanDerWaalsContact O-N 3.16Å; I105-V115 HydrophobicContact CB-CG1 4.4Å; I105-V115 HydrophobicContact CG1-CG1 3.93Å; I105-V115 HydrophobicContact CG2-CG1 4.21Å; I105-V115 HydrophobicContact CG2-CG2 4.25Å; I105-W131 HydrophobicContact CD1-CB 4.32Å; I105-W131 HydrophobicContact CD1-CD2 4.28Å; I105-W131 HydrophobicContact CD1-CE3 3.74Å; I105-W131 HydrophobicContact CD1-CZ3 4.48Å; I105-Q134 HydrophobicContact CD1-CB 4.42Å; I105-Q134 HydrophobicContact CG2-CB 4.29Å; I105-I135 HydrophobicContact CD1-CG2 4.07Å; I105-I135 HydrophobicContact CG1-CG2 4.47Å
106K98.8Very high98.4Very high121 Ų12151.7 Ų51.753%0.52628%0.282SS..Hα-helixtrans-61.4-47.2177.3-179.9-180169-1770111.6G102 N103 L104 I108 R109 E110G102-K106 PolarHBondContact O-N 3.38Å; G102-K106 VanDerWaalsContact O-N 3.15Å; N103-K106 WeakPolarHBondContact O-CB 3.3Å; N103-K106 PolarHBondContact O-N 3.22Å; L104-K106 VanDerWaalsContact C-N 3.26Å; L104-K106 PolarHBondContact O-N 3.23Å; K106-I108 VanDerWaalsContact C-N 3.34Å; K106-I108 PolarHBondContact O-N 3.05Å; K106-R109 PolarHBondContact O-N 2.9Å; K106-E110 WeakPolarHBondContact CE-OE1 3.44Å; K106-E110 HydrophobicContact CG-CG 4.34Å; K106-E110 IonicContact NZ-OE1 3.6Å; K106-E110 WeakPolarHBondContact O-CB 3.22Å; K106-E110 WeakPolarHBondContact O-CG 3.27Å; K106-E110 PolarHBondContact O-N 3.41Å
107E98.8Very high98.4Very high54 Ų5448.8 Ų48.825%0.25227%0.268SS..Hα-helixtrans-61.9-40.2-179.9-173.1174.8-174.900112.5V80 N103 L104 E110 S111V80-E107 HydrophobicContact CB-CG 4.41Å; V80-E107 HydrophobicContact CG1-CG 4.11Å; N103-E107 PolarHBondContact O-N 3.46Å; L104-E107 PolarHBondContact O-N 3.11Å; L104-E107 VanDerWaalsContact O-N 3.16Å; E107-E110 PolarHBondContact O-N 3.18Å; E107-S111 WeakPolarHBondContact O-CB 3.44Å; E107-S111 PolarHBondContact O-N 3.38Å; E107-S111 PolarHBondContact O-OG 2.94Å
108I98.9Very high98.4Very high0 Ų048 Ų480%026%0.263CS..Hα-helixtrans-60.4-47175.9-68.1161.5000110.4V80 Y91 F93 L104 I105 K106 S111 G112 M113 K114 V115V80-I108 HydrophobicContact CG1-CB 4.42Å; V80-I108 HydrophobicContact CG1-CG1 3.94Å; V80-I108 HydrophobicContact CG2-CG1 3.95Å; Y91-I108 HydrophobicContact CD1-CD1 3.52Å; Y91-I108 HydrophobicContact CD1-CG1 3.87Å; Y91-I108 HydrophobicContact CE1-CD1 4.26Å; Y91-I108 HydrophobicContact CG-CD1 4.22Å; Y91-I108 HydrophobicContact CG-CG1 4.19Å; F93-I108 HydrophobicContact CD1-CD1 3.64Å; F93-I108 HydrophobicContact CE1-CD1 3.89Å; L104-I108 HydrophobicContact CD1-CD1 3.94Å; L104-I108 HydrophobicContact CD1-CG1 4.06Å; L104-I108 HydrophobicContact CG-CD1 3.9Å; L104-I108 WeakPolarHBondContact O-CD1 3.31Å; L104-I108 VanDerWaalsContact O-CG1 3.27Å; L104-I108 WeakPolarHBondContact O-CG1 3.38Å; L104-I108 PolarHBondContact O-N 2.93Å; I105-I108 PolarHBondContact O-N 3.47Å; K106-I108 VanDerWaalsContact C-N 3.34Å; K106-I108 PolarHBondContact O-N 3.05Å; I108-S111 PolarHBondContact O-N 3.22Å; I108-G112 PolarHBondContact O-N 3Å; I108-M113 HydrophobicContact CG2-CB 3.9Å; I108-M113 HydrophobicContact CG2-CE 4.38Å; I108-M113 PolarHBondContact O-N 2.89Å; I108-K114 WeakPolarHBondContact CG2-O 3.32Å; I108-V115 HydrophobicContact CB-CG2 4.07Å; I108-V115 HydrophobicContact CD1-CG1 4.49Å; I108-V115 HydrophobicContact CG2-CB 4.44Å; I108-V115 HydrophobicContact CG2-CG2 3.67Å
109R98.8Very high98.5Very high101 Ų10147 Ų4738%0.38126%0.257SS..Hα-helixtrans-65.5-43178.2-68.7-170.5179.2-69.95.9112.3I105 K106 S111 G112 V115 Q134 D136I105-R109 WeakPolarHBondContact O-CG 3.34Å; I105-R109 PolarHBondContact O-N 3.32Å; I105-R109 VanDerWaalsContact O-N 3.16Å; K106-R109 PolarHBondContact O-N 2.9Å; R109-S111 PolarHBondContact O-N 3.47Å; R109-G112 PolarHBondContact O-N 3.34Å; R109-V115 HydrophobicContact CG-CG2 3.51Å; R109-Q134 PolarHBondContact NE-O 3.46Å; R109-Q134 PolarHBondContact NH2-O 2.92Å; R109-D136 IonicContact CZ-OD1 3.19Å; R109-D136 IonicContact CZ-OD2 3.41Å; R109-D136 IonicContact NH1-OD1 3.25Å; R109-D136 PolarHBondContact NH1-OD1 3.35Å; R109-D136 VanDerWaalsContact NH1-OD1 3.16Å; R109-D136 IonicContact NH1-OD2 3.87Å; R109-D136 PolarHBondContact NH1-OD2 3.39Å; R109-D136 IonicContact NH2-OD1 3.01Å; R109-D136 PolarHBondContact NH2-OD1 3.33Å; R109-D136 IonicContact NH2-OD2 3.65Å; R109-D136 PolarHBondContact NH2-OD2 2.68Å
110E98.8Very high98.6Very high140 Ų14042 Ų4265%0.65422%0.222SC*.Hα-helixtrans-63-25.6175.8-73.8178.9164.700112.3K106 E107 G112K106-E110 WeakPolarHBondContact CE-OE1 3.44Å; K106-E110 HydrophobicContact CG-CG 4.34Å; K106-E110 IonicContact NZ-OE1 3.6Å; K106-E110 WeakPolarHBondContact O-CB 3.22Å; K106-E110 WeakPolarHBondContact O-CG 3.27Å; K106-E110 PolarHBondContact O-N 3.41Å; E107-E110 PolarHBondContact O-N 3.18Å; E110-G112 VanDerWaalsContact C-N 3.27Å
111S98.7Very high98.7Very high34 Ų3439.1 Ų39.124%0.23821%0.208CC..THydrogen-bonded Turntrans-83.82.8173.6-55.30000113.7V80 E107 I108 R109V80-S111 WeakPolarHBondContact CG1-OG 3.39Å; E107-S111 WeakPolarHBondContact O-CB 3.44Å; E107-S111 PolarHBondContact O-N 3.38Å; E107-S111 PolarHBondContact O-OG 2.94Å; I108-S111 PolarHBondContact O-N 3.22Å; R109-S111 PolarHBondContact O-N 3.47Å
112G98.6Very high98.7Very high71 Ų7142.4 Ų42.473%0.73224%0.242SC*.THydrogen-bonded Turntrans82.49.7175.200000115.4I108 R109 E110I108-G112 PolarHBondContact O-N 3Å; R109-G112 PolarHBondContact O-N 3.34Å; E110-G112 VanDerWaalsContact C-N 3.27Å
113M98.9Very high98.8Very high8 Ų842.3 Ų42.34%0.03924%0.238CC..  trans-98.4155.6178.7-64.9-176-64.600111.7V80 M83 A84 A88 Y91 I108V80-M113 HydrophobicContact CG1-CE 3.64Å; V80-M113 VanDerWaalsContact O-CE 3.31Å; V80-M113 WeakPolarHBondContact O-CE 3.31Å; M83-M113 HydrophobicContact CB-SD 4.38Å; A84-M113 HydrophobicContact CB-CE 3.91Å; A84-M113 HydrophobicContact CB-CG 4.17Å; A84-M113 HydrophobicContact CB-SD 3.92Å; A88-M113 HydrophobicContact CB-SD 3.73Å; Y91-M113 HydrophobicContact CD2-CE 3.84Å; Y91-M113 HydrophobicContact CD2-SD 4.38Å; Y91-M113 HydrophobicContact CG-CE 4.1Å; I108-M113 HydrophobicContact CG2-CB 3.9Å; I108-M113 HydrophobicContact CG2-CE 4.38Å; I108-M113 PolarHBondContact O-N 2.89Å
114K98.9Very high98.8Very high97 Ų9740.6 Ų40.642%0.42223%0.231SC..EExtended strand (participates in β ladder)trans-72.4156.4164.2-66.6-169.1-178.1179.80111F66 N89 Q90 Y91 I108 D136F66-K114 HydrophobicContact CE2-CD 4.04Å; F66-K114 HydrophobicContact CZ-CD 4Å; N89-K114 PolarHBondContact O-N 3.39Å; Q90-K114 WeakPolarHBondContact CA-O 3.5Å; Q90-K114 HydrophobicContact CB-CB 3.97Å; Q90-K114 HydrophobicContact CG-CB 4.02Å; Y91-K114 PolarHBondContact N-O 3.02Å; I108-K114 WeakPolarHBondContact CG2-O 3.32Å; K114-D136 VanDerWaalsContact CA-OD2 3.23Å; K114-D136 WeakPolarHBondContact CA-OD2 3.47Å; K114-D136 HydrophobicContact CB-CB 4.25Å; K114-D136 WeakPolarHBondContact CB-OD2 3.48Å
115V98.9Very high98.7Very high0 Ų040.8 Ų40.80%023%0.232CC..EExtended strand (participates in β ladder)trans-109.1115.8-174.9-175.60000110.3F93 I105 I108 R109 I135 D136 M137F93-V115 HydrophobicContact CE1-CG1 4.21Å; I105-V115 HydrophobicContact CB-CG1 4.4Å; I105-V115 HydrophobicContact CG1-CG1 3.93Å; I105-V115 HydrophobicContact CG2-CG1 4.21Å; I105-V115 HydrophobicContact CG2-CG2 4.25Å; I108-V115 HydrophobicContact CB-CG2 4.07Å; I108-V115 HydrophobicContact CD1-CG1 4.49Å; I108-V115 HydrophobicContact CG2-CB 4.44Å; I108-V115 HydrophobicContact CG2-CG2 3.67Å; R109-V115 HydrophobicContact CG-CG2 3.51Å; V115-I135 HydrophobicContact CG1-CB 4.22Å; V115-I135 HydrophobicContact CG1-CG2 3.85Å; V115-D136 PolarHBondContact N-OD2 3.34Å; V115-D136 PolarHBondContact O-N 3.33Å; V115-M137 PolarHBondContact O-N 3.04Å
116G98.9Very high98.7Very high0 Ų045.5 Ų45.50%025%0.254CS..EExtended strand (participates in β ladder)trans-102.2147.8163.500000111.2Y91 T92 F93 M137Y91-G116 PolarHBondContact O-N 3.41Å; T92-G116 WeakPolarHBondContact CA-O 3.33Å; T92-G116 WeakPolarHBondContact OG1-CA 3.44Å; F93-G116 WeakPolarHBondContact CD1-O 3.44Å; F93-G116 PolarHBondContact N-O 3.41Å; F93-G116 VanDerWaalsContact N-O 3.15Å; G116-M137 CarbonylContact C-O 3.54Å; G116-M137 VanDerWaalsContact CA-O 3.31Å; G116-M137 WeakPolarHBondContact CA-O 3.35Å
117L98.9Very high98.7Very high0 Ų044.4 Ų44.40%025%0.251CS..EExtended strand (participates in β ladder)trans-130116.9172.9-178.558.6000110.2F93 L95 L128 W131 I135 M137 A138 L139F93-L117 HydrophobicContact CD2-CD1 3.95Å; F93-L117 HydrophobicContact CE1-CD1 4.09Å; F93-L117 HydrophobicContact CE2-CD1 3.46Å; F93-L117 VanDerWaalsContact CE2-CD1 3.46Å; F93-L117 HydrophobicContact CG-CD1 4.46Å; F93-L117 HydrophobicContact CZ-CD1 3.56Å; F93-L117 WeakPolarHBondContact O-CA 3.48Å; L95-L117 HydrophobicContact CB-CD1 3.84Å; L95-L117 HydrophobicContact CB-CG 4.48Å; L95-L117 HydrophobicContact CD1-CD1 4.28Å; L95-L117 HydrophobicContact CD1-CD2 4.45Å; L117-L128 HydrophobicContact CB-CD1 4.4Å; L117-L128 HydrophobicContact CD2-CD1 4.24Å; L117-L128 HydrophobicContact CD2-CG 3.93Å; L117-L128 HydrophobicContact CG-CD1 4.02Å; L117-L128 HydrophobicContact CG-CG 4.27Å; L117-W131 HydrophobicContact CD2-CB 3.58Å; L117-W131 HydrophobicContact CD2-CG 3.88Å; L117-I135 HydrophobicContact CB-CD1 3.95Å; L117-I135 HydrophobicContact CB-CG2 3.96Å; L117-I135 HydrophobicContact CD2-CG2 4.34Å; L117-M137 PolarHBondContact N-O 2.87Å; L117-A138 CarbonylContact O-C 3.44Å; L117-A138 WeakPolarHBondContact O-CA 3.37Å; L117-L139 PolarHBondContact O-N 2.99Å
118A98.9Very high98.6Very high0 Ų041.9 Ų41.90%024%0.239CC..EExtended strand (participates in β ladder)trans-98.3148.2-17900000112T92 F93 L95 L139T92-A118 HydrophobicContact CG2-CB 4.1Å; F93-A118 PolarHBondContact O-N 3.04Å; L95-A118 PolarHBondContact N-O 2.93Å; A118-L139 CarbonylContact C-O 3.6Å; A118-L139 VanDerWaalsContact CA-O 3.3Å; A118-L139 WeakPolarHBondContact CA-O 3.3Å; A118-L139 HydrophobicContact CB-CB 3.89Å; A118-L139 HydrophobicContact CB-CD2 3.85Å; A118-L139 HydrophobicContact CB-CG 3.96Å
119I98.9Very high98.5Very high0 Ų042.9 Ų42.90%025%0.248CC..EExtended strand (participates in β ladder)trans-129.4139.6167.352.5170.3000110.7L95 T123 V125 L128 L139 M141 K159L95-I119 HydrophobicContact CB-CG2 4.02Å; L95-I119 HydrophobicContact CD2-CG2 4.05Å; I119-T123 HydrophobicContact CB-CG2 4.27Å; I119-T123 HydrophobicContact CG2-CG2 3.94Å; I119-V125 HydrophobicContact CD1-CB 4.34Å; I119-V125 HydrophobicContact CD1-CG2 4.34Å; I119-L128 HydrophobicContact CD1-CD1 4.5Å; I119-L128 HydrophobicContact CG1-CD1 4.32Å; I119-L128 HydrophobicContact CG2-CB 4.19Å; I119-L128 HydrophobicContact CG2-CD1 4Å; I119-L139 PolarHBondContact N-O 3.07Å; I119-M141 WeakPolarHBondContact O-CB 3.48Å; I119-M141 VanDerWaalsContact O-CG 3.29Å; I119-M141 WeakPolarHBondContact O-CG 3.32Å; I119-M141 PolarHBondContact O-N 2.7Å; I119-M141 VanDerWaalsContact O-N 3.13Å; I119-K159 HydrophobicContact CD1-CD 4.28Å
120K98.7Very high98.5Very high48 Ų4842.4 Ų42.421%0.20926%0.258CS..  trans-73.3165.5174.2-63.4-158.2-57.51600111.8F43 E96 G122 T123 E144 P145 K159F43-K120 HydrophobicContact CE1-CD 4.42Å; F43-K120 HydrophobicContact CZ-CD 3.82Å; F43-K120 HydrophobicContact CZ-CG 4.31Å; E96-K120 WeakPolarHBondContact OE1-CB 3.49Å; E96-K120 PolarHBondContact OE1-N 2.84Å; K120-G122 PolarHBondContact O-N 3.29Å; K120-T123 PolarHBondContact O-N 2.9Å; K120-T123 VanDerWaalsContact O-N 3.12Å; K120-E144 WeakPolarHBondContact CD-OE1 3.4Å; K120-E144 IonicContact NZ-OE1 3.5Å; K120-E144 PolarHBondContact NZ-OE1 3.46Å; K120-P145 HydrophobicContact CD-CG 3.48Å; K120-P145 VanDerWaalsContact CD-CG 3.48Å; K120-P145 HydrophobicContact CG-CG 3.85Å; K120-K159 PolarHBondContact O-NZ 2.94Å
121P98.6Very high98.4Very high16 Ų1638.8 Ų38.810%0.10424%0.238CC..THydrogen-bonded Turntrans-56.4-34.8176.7-27.536.3000114.3T123 M141 V143 E144 M153 M156 K159P121-T123 VanDerWaalsContact C-N 3.35Å; P121-T123 PolarHBondContact O-N 3.35Å; P121-M141 HydrophobicContact CG-CB 4.42Å; P121-V143 VanDerWaalsContact CG-O 3.27Å; P121-V143 WeakPolarHBondContact CG-O 3.33Å; P121-E144 WeakPolarHBondContact CD-OE2 3.38Å; P121-M153 HydrophobicContact CB-CE 3.78Å; P121-M153 HydrophobicContact CB-SD 3.9Å; P121-M153 HydrophobicContact CG-CE 4.36Å; P121-M153 HydrophobicContact CG-SD 3.8Å; P121-M156 VanDerWaalsContact CA-SD 3.56Å; P121-M156 HydrophobicContact CB-CE 4.34Å; P121-M156 HydrophobicContact CB-SD 3.73Å; P121-M156 HydrophobicContact CG-SD 4.49Å; P121-K159 PolarHBondContact O-NZ 2.99Å
122G98.3Very high98.4Very high73 Ų7337.6 Ų37.675%0.75323%0.23SC*.THydrogen-bonded Turntrans-74.7-17179.400000115.6K120K120-G122 PolarHBondContact O-N 3.29Å
123T98.6Very high98.3Very high16 Ų1638 Ų3810%0.09823%0.234CC..SBendtrans-90.9135.2-174.9-53.30000110.7E96 I119 K120 P121 E127 K159E96-T123 HydrophobicContact CG-CG2 4.49Å; E96-T123 WeakPolarHBondContact CG-OG1 3.37Å; E96-T123 WeakPolarHBondContact OE1-CB 3.41Å; E96-T123 PolarHBondContact OE1-OG1 3.28Å; I119-T123 HydrophobicContact CB-CG2 4.27Å; I119-T123 HydrophobicContact CG2-CG2 3.94Å; K120-T123 PolarHBondContact O-N 2.9Å; K120-T123 VanDerWaalsContact O-N 3.12Å; P121-T123 VanDerWaalsContact C-N 3.35Å; P121-T123 PolarHBondContact O-N 3.35Å; T123-E127 HydrophobicContact CG2-CB 4.34Å; T123-K159 PolarHBondContact O-NZ 2.85Å
124T98.4Very high98.3Very high67 Ų6741.9 Ų41.941%0.41125%0.252SS..  trans-72.7150.2-176.865.60000111E126 E127T124-E126 WeakPolarHBondContact CB-OE2 3.07Å; T124-E126 PolarHBondContact O-N 3.13Å; T124-E127 PolarHBondContact N-OE1 3.42Å; T124-E127 PolarHBondContact O-N 3.05Å; T124-E127 VanDerWaalsContact OG1-CG 3.3Å; T124-E127 WeakPolarHBondContact OG1-CG 3.37Å; T124-E127 PolarHBondContact OG1-OE1 3.38Å
125V98.3Very high98.3Very high6 Ų637.9 Ų37.94%0.03624%0.235CC..Hα-helixtrans-73.2-25.5-177.868.80000111.7I119 E127 L128 A129 K159 W162 L163I119-V125 HydrophobicContact CD1-CB 4.34Å; I119-V125 HydrophobicContact CD1-CG2 4.34Å; V125-E127 PolarHBondContact O-N 3.23Å; V125-L128 PolarHBondContact O-N 3.19Å; V125-L128 VanDerWaalsContact O-N 3.11Å; V125-A129 PolarHBondContact O-N 3Å; V125-K159 HydrophobicContact CB-CB 3.9Å; V125-K159 HydrophobicContact CB-CD 4.35Å; V125-K159 HydrophobicContact CB-CG 4.03Å; V125-K159 HydrophobicContact CG1-CB 4.41Å; V125-K159 HydrophobicContact CG1-CG 4.44Å; V125-K159 HydrophobicContact CG2-CB 4.01Å; V125-W162 HydrophobicContact CB-CE3 4.4Å; V125-W162 HydrophobicContact CG1-CB 4.24Å; V125-W162 HydrophobicContact CG1-CD2 3.86Å; V125-W162 HydrophobicContact CG1-CE3 3.73Å; V125-W162 HydrophobicContact CG1-CG 4.1Å; V125-W162 HydrophobicContact CG1-CZ3 4.37Å; V125-W162 HydrophobicContact CG2-CE3 3.82Å; V125-W162 HydrophobicContact CG2-CZ3 4.31Å; V125-L163 HydrophobicContact CG2-CD1 3.8Å; V125-L163 HydrophobicContact CG2-CD2 3.71Å; V125-L163 HydrophobicContact CG2-CG 3.42Å; V125-L163 VanDerWaalsContact CG2-CG 3.42Å
126E98.2Very high98.3Very high104 Ų10440.3 Ų40.349%0.48625%0.248SC..Hα-helixtrans-62.1-28.6175.1-66.180-18000112.2T124 L128 A129 P130 W162T124-E126 WeakPolarHBondContact CB-OE2 3.07Å; T124-E126 PolarHBondContact O-N 3.13Å; E126-L128 VanDerWaalsContact C-N 3.32Å; E126-A129 WeakPolarHBondContact O-CB 3.49Å; E126-A129 PolarHBondContact O-N 3.47Å; E126-P130 WeakPolarHBondContact O-CD 3.47Å; E126-W162 HydrophobicContact CG-CZ2 4.33Å
127E98.3Very high98.3Very high98 Ų9840.4 Ų40.446%0.45825%0.249SC..Hα-helixtrans-69.3-28.9175-71.7169.6-102.300112.6L95 T123 T124 V125 P130L95-E127 HydrophobicContact CD2-CB 3.81Å; L95-E127 WeakPolarHBondContact CD2-O 3.27Å; T123-E127 HydrophobicContact CG2-CB 4.34Å; T124-E127 PolarHBondContact N-OE1 3.42Å; T124-E127 PolarHBondContact O-N 3.05Å; T124-E127 VanDerWaalsContact OG1-CG 3.3Å; T124-E127 WeakPolarHBondContact OG1-CG 3.37Å; T124-E127 PolarHBondContact OG1-OE1 3.38Å; V125-E127 PolarHBondContact O-N 3.23Å; E127-P130 WeakPolarHBondContact O-CD 3.45Å
128L97.8Very high98.3Very high0 Ų040.4 Ų40.40%025%0.249CC..Hα-helixtrans-78.8-30.3176-173.7148.7000111.9L117 I119 V125 E126 W131 A132 I135 A138 L163L117-L128 HydrophobicContact CB-CD1 4.4Å; L117-L128 HydrophobicContact CD2-CD1 4.24Å; L117-L128 HydrophobicContact CD2-CG 3.93Å; L117-L128 HydrophobicContact CG-CD1 4.02Å; L117-L128 HydrophobicContact CG-CG 4.27Å; I119-L128 HydrophobicContact CD1-CD1 4.5Å; I119-L128 HydrophobicContact CG1-CD1 4.32Å; I119-L128 HydrophobicContact CG2-CB 4.19Å; I119-L128 HydrophobicContact CG2-CD1 4Å; V125-L128 PolarHBondContact O-N 3.19Å; V125-L128 VanDerWaalsContact O-N 3.11Å; E126-L128 VanDerWaalsContact C-N 3.32Å; L128-W131 WeakPolarHBondContact O-CB 3.49Å; L128-W131 PolarHBondContact O-N 3.47Å; L128-A132 PolarHBondContact O-N 2.95Å; L128-I135 HydrophobicContact CD2-CD1 4.12Å; L128-A138 HydrophobicContact CD1-CB 3.98Å; L128-A138 HydrophobicContact CD2-CB 3.92Å; L128-L163 HydrophobicContact CD2-CD2 3.82Å
129A96.1Very high98.3Very high22 Ų2240.4 Ų40.418%0.18225%0.249CC..G310 helixtrans-52-40.6-171.200000115.7V125 E126 W131 A132 W162 F167V125-A129 PolarHBondContact O-N 3Å; E126-A129 WeakPolarHBondContact O-CB 3.49Å; E126-A129 PolarHBondContact O-N 3.47Å; A129-W131 PolarHBondContact O-N 2.95Å; A129-W131 VanDerWaalsContact O-N 3.11Å; A129-A132 WeakPolarHBondContact O-CB 3.48Å; A129-A132 PolarHBondContact O-N 3.39Å; A129-W162 HydrophobicContact CB-CH2 3.56Å; A129-W162 HydrophobicContact CB-CZ3 3.81Å; A129-F167 HydrophobicContact CB-CE2 4.16Å; A129-F167 HydrophobicContact CB-CZ 4.06Å
130P98.1Very high98.3Very high91 Ų9140.4 Ų40.459%0.59125%0.249SC*.G310 helixtrans-60.1-22.2177.3-24.935.9000114.2E126 E127E126-P130 WeakPolarHBondContact O-CD 3.47Å; E127-P130 WeakPolarHBondContact O-CD 3.45Å
131W98.3Very high98.2Very high64 Ų6438.2 Ų38.224%0.24224%0.239CC..G310 helixtrans-98.9-12.9-176.2-49.4107.1000113.1A101 G102 I105 L117 L128 A129 G133 Q134 I135A101-W131 HydrophobicContact CB-CD2 4.14Å; A101-W131 HydrophobicContact CB-CE3 4.39Å; A101-W131 HydrophobicContact CB-CH2 4.09Å; A101-W131 HydrophobicContact CB-CZ2 3.81Å; A101-W131 HydrophobicContact CB-CZ3 4.37Å; G102-W131 VanDerWaalsContact CA-CZ3 3.47Å; I105-W131 HydrophobicContact CD1-CB 4.32Å; I105-W131 HydrophobicContact CD1-CD2 4.28Å; I105-W131 HydrophobicContact CD1-CE3 3.74Å; I105-W131 HydrophobicContact CD1-CZ3 4.48Å; L117-W131 HydrophobicContact CD2-CB 3.58Å; L117-W131 HydrophobicContact CD2-CG 3.88Å; L128-W131 WeakPolarHBondContact O-CB 3.49Å; L128-W131 PolarHBondContact O-N 3.47Å; A129-W131 PolarHBondContact O-N 2.95Å; A129-W131 VanDerWaalsContact O-N 3.11Å; W131-G133 PolarHBondContact O-N 2.87Å; W131-G133 VanDerWaalsContact O-N 3.08Å; W131-Q134 WeakPolarHBondContact O-CA 3.27Å; W131-Q134 PolarHBondContact O-N 2.96Å; W131-I135 HydrophobicContact CB-CG2 4.41Å; W131-I135 PolarHBondContact O-N 2.99Å
132A97.2Very high98.2Very high8 Ų837.5 Ų37.57%0.06623%0.234CC..THydrogen-bonded Turntrans-56.1-31.4-173.400000114L128 A129 Q134 F167 L170L128-A132 PolarHBondContact O-N 2.95Å; A129-A132 WeakPolarHBondContact O-CB 3.48Å; A129-A132 PolarHBondContact O-N 3.39Å; A132-Q134 VanDerWaalsContact C-N 3.3Å; A132-Q134 PolarHBondContact O-N 3.07Å; A132-F167 HydrophobicContact CB-CD1 3.73Å; A132-F167 HydrophobicContact CB-CD2 3.73Å; A132-F167 HydrophobicContact CB-CE1 3.59Å; A132-F167 HydrophobicContact CB-CE2 3.58Å; A132-F167 HydrophobicContact CB-CG 3.8Å; A132-F167 HydrophobicContact CB-CZ 3.51Å; A132-L170 HydrophobicContact CB-CD2 4.2Å
133G97.3Very high98.2Very high79 Ų7934.4 Ų34.481%0.81420%0.201SC*.THydrogen-bonded Turntrans-80-4.5175.700000115.2W131W131-G133 PolarHBondContact O-N 2.87Å; W131-G133 VanDerWaalsContact O-N 3.08Å
134Q98.3Very high98.1Very high91 Ų9137.4 Ų37.443%0.42521%0.214SC..THydrogen-bonded Turntrans-117-7.6-174.9-60.9-1806900113.2I105 R109 W131 A132I105-Q134 HydrophobicContact CD1-CB 4.42Å; I105-Q134 HydrophobicContact CG2-CB 4.29Å; R109-Q134 PolarHBondContact NE-O 3.46Å; R109-Q134 PolarHBondContact NH2-O 2.92Å; W131-Q134 WeakPolarHBondContact O-CA 3.27Å; W131-Q134 PolarHBondContact O-N 2.96Å; A132-Q134 VanDerWaalsContact C-N 3.3Å; A132-Q134 PolarHBondContact O-N 3.07Å
135I98.7Very high97.9Very high12 Ų1234.7 Ų34.76%0.06220%0.197CC..  trans-107.3159.5-179.266.1-177.3000110.6I105 V115 L117 L128 W131 A138 L170I105-I135 HydrophobicContact CD1-CG2 4.07Å; I105-I135 HydrophobicContact CG1-CG2 4.47Å; V115-I135 HydrophobicContact CG1-CB 4.22Å; V115-I135 HydrophobicContact CG1-CG2 3.85Å; L117-I135 HydrophobicContact CB-CD1 3.95Å; L117-I135 HydrophobicContact CB-CG2 3.96Å; L117-I135 HydrophobicContact CD2-CG2 4.34Å; L128-I135 HydrophobicContact CD2-CD1 4.12Å; W131-I135 HydrophobicContact CB-CG2 4.41Å; W131-I135 PolarHBondContact O-N 2.99Å; I135-A138 HydrophobicContact CD1-CB 3.99Å; I135-L170 HydrophobicContact CD1-CD1 4.36Å; I135-L170 HydrophobicContact CG1-CD1 4.03Å
136D98.8Very high97.5Very high52 Ų5234.5 Ų34.528%0.27820%0.197SC..SBendtrans-92.3-28.2175.4-55.9-51.4000111.2R109 K114 V115R109-D136 IonicContact CZ-OD1 3.19Å; R109-D136 IonicContact CZ-OD2 3.41Å; R109-D136 IonicContact NH1-OD1 3.25Å; R109-D136 PolarHBondContact NH1-OD1 3.35Å; R109-D136 VanDerWaalsContact NH1-OD1 3.16Å; R109-D136 IonicContact NH1-OD2 3.87Å; R109-D136 PolarHBondContact NH1-OD2 3.39Å; R109-D136 IonicContact NH2-OD1 3.01Å; R109-D136 PolarHBondContact NH2-OD1 3.33Å; R109-D136 IonicContact NH2-OD2 3.65Å; R109-D136 PolarHBondContact NH2-OD2 2.68Å; K114-D136 VanDerWaalsContact CA-OD2 3.23Å; K114-D136 WeakPolarHBondContact CA-OD2 3.47Å; K114-D136 HydrophobicContact CB-CB 4.25Å; K114-D136 WeakPolarHBondContact CB-OD2 3.48Å; V115-D136 PolarHBondContact N-OD2 3.34Å; V115-D136 PolarHBondContact O-N 3.33Å
137M98.9Very high96.8Very high1 Ų134.8 Ų34.81%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-147.7140.8-179.3-173.5-169.880.600111.6Q90 T92 V115 G116 L117 L139 D171 E173 M193Q90-M137 PolarHBondContact NE2-SD 3.07Å; T92-M137 HydrophobicContact CG2-CE 4.01Å; T92-M137 WeakPolarHBondContact OG1-CE 3.39Å; V115-M137 PolarHBondContact O-N 3.04Å; G116-M137 CarbonylContact C-O 3.54Å; G116-M137 VanDerWaalsContact CA-O 3.31Å; G116-M137 WeakPolarHBondContact CA-O 3.35Å; L117-M137 PolarHBondContact N-O 2.87Å; M137-L139 HydrophobicContact CE-CB 4.22Å; M137-D171 WeakPolarHBondContact CA-O 3.3Å; M137-D171 HydrophobicContact CB-CB 4.35Å; M137-D171 HydrophobicContact CG-CB 4.23Å; M137-E173 HydrophobicContact CE-CB 3.97Å; M137-E173 HydrophobicContact CE-CG 4.43Å; M137-E173 WeakPolarHBondContact CE-OE2 3.41Å; M137-E173 HydrophobicContact CG-CB 4.09Å; M137-E173 HydrophobicContact SD-CB 3.68Å; M137-E173 HydrophobicContact SD-CG 4.24Å; M137-M193 HydrophobicContact CG-SD 3.96Å; M137-M193 HydrophobicContact SD-CE 3.63Å; M137-M193 HydrophobicContact SD-SD 3.56Å
138A98.9Very high96Very high0 Ų032.8 Ų32.80%020%0.202CC..EExtended strand (participates in β ladder)trans-105.1129.4166.900000110.5L117 L128 I135 L163 L170 D171 I172 E173L117-A138 CarbonylContact O-C 3.44Å; L117-A138 WeakPolarHBondContact O-CA 3.37Å; L128-A138 HydrophobicContact CD1-CB 3.98Å; L128-A138 HydrophobicContact CD2-CB 3.92Å; I135-A138 HydrophobicContact CD1-CB 3.99Å; A138-L163 HydrophobicContact CB-CD1 4.18Å; A138-L170 HydrophobicContact CB-CD2 3.9Å; A138-L170 HydrophobicContact CB-CG 4.48Å; A138-D171 PolarHBondContact N-O 3.12Å; A138-I172 WeakPolarHBondContact O-CA 3.26Å; A138-E173 PolarHBondContact O-N 3.38Å
139L98.9Very high95.1Very high0 Ų036.4 Ų36.40%024%0.239CC..EExtended strand (participates in β ladder)trans-103.4119.2175169.357.2000110.4T92 L117 A118 I119 M137 M141 E173 D175T92-L139 HydrophobicContact CG2-CB 4.06Å; T92-L139 HydrophobicContact CG2-CD2 3.93Å; L117-L139 PolarHBondContact O-N 2.99Å; A118-L139 CarbonylContact C-O 3.6Å; A118-L139 VanDerWaalsContact CA-O 3.3Å; A118-L139 WeakPolarHBondContact CA-O 3.3Å; A118-L139 HydrophobicContact CB-CB 3.89Å; A118-L139 HydrophobicContact CB-CD2 3.85Å; A118-L139 HydrophobicContact CB-CG 3.96Å; I119-L139 PolarHBondContact N-O 3.07Å; M137-L139 HydrophobicContact CE-CB 4.22Å; L139-M141 HydrophobicContact CD1-SD 4.37Å; L139-M141 HydrophobicContact CD2-SD 3.99Å; L139-M141 HydrophobicContact CG-SD 4.15Å; L139-E173 HydrophobicContact CB-CB 4.35Å; L139-E173 HydrophobicContact CD1-CB 3.96Å; L139-E173 HydrophobicContact CD1-CG 3.89Å; L139-D175 HydrophobicContact CD1-CB 3.73Å
140V98.9Very high94.8Very high0 Ų038.6 Ų38.60%025%0.246CC..EExtended strand (participates in β ladder)trans-100.2110170.4-178.40000108.8T142 M156 K159 V160 L163 E173 V174V140-T142 PolarHBondContact O-N 2.94Å; V140-M156 HydrophobicContact CG1-CB 4.4Å; V140-K159 HydrophobicContact CG1-CB 4.14Å; V140-K159 HydrophobicContact CG1-CD 4.23Å; V140-V160 HydrophobicContact CB-CG2 3.96Å; V140-V160 HydrophobicContact CG1-CG2 4.02Å; V140-V160 HydrophobicContact CG2-CG2 4.05Å; V140-L163 HydrophobicContact CG2-CD1 3.72Å; V140-E173 PolarHBondContact N-O 3.24Å; V140-V174 WeakPolarHBondContact O-CA 3.3Å
141M98.6Very high94.6Very high3 Ų343.2 Ų43.22%0.01526%0.256CS..EExtended strand (participates in β ladder)trans-65.6133.5173.8-65.6-57.8-61.100110.9H70 I119 P121 L139 V143 P145 D175H70-M141 PolarHBondContact CE1-SD 2.82Å; I119-M141 WeakPolarHBondContact O-CB 3.48Å; I119-M141 VanDerWaalsContact O-CG 3.29Å; I119-M141 WeakPolarHBondContact O-CG 3.32Å; I119-M141 PolarHBondContact O-N 2.7Å; I119-M141 VanDerWaalsContact O-N 3.13Å; P121-M141 HydrophobicContact CG-CB 4.42Å; L139-M141 HydrophobicContact CD1-SD 4.37Å; L139-M141 HydrophobicContact CD2-SD 3.99Å; L139-M141 HydrophobicContact CG-SD 4.15Å; M141-V143 HydrophobicContact CE-CG2 4.32Å; M141-P145 HydrophobicContact CE-CB 4.07Å; M141-D175 HydrophobicContact CE-CB 4.38Å; M141-D175 HydrophobicContact SD-CB 4.12Å
142T98.4Very high94.6Very high0 Ų040.9 Ų40.90%025%0.248CC..SBendtrans-112.514177.954.30000113V140 F152 M153 M156 M157 V174 D175 G176V140-T142 PolarHBondContact O-N 2.94Å; T142-F152 HydrophobicContact CG2-CD2 4.39Å; T142-F152 HydrophobicContact CG2-CE2 3.77Å; T142-F152 HydrophobicContact CG2-CZ 4.45Å; T142-M153 VanDerWaalsContact O-CB 3.31Å; T142-M153 WeakPolarHBondContact O-CB 3.14Å; T142-M153 WeakPolarHBondContact O-CG 3.31Å; T142-M153 PolarHBondContact O-N 2.8Å; T142-M156 HydrophobicContact CG2-CB 4.01Å; T142-M157 HydrophobicContact CG2-CE 3.62Å; T142-V174 HydrophobicContact CG2-CB 4.25Å; T142-V174 HydrophobicContact CG2-CG1 4.22Å; T142-D175 PolarHBondContact N-O 3.23Å; T142-D175 PolarHBondContact OG1-O 2.87Å; T142-D175 VanDerWaalsContact OG1-O 3.07Å; T142-G176 PolarHBondContact OG1-O 3.26Å
143V97.1Very high94.6Very high9 Ų943.1 Ų43.16%0.05526%0.258CS..SBendtrans-147.1164.4165.3-60.70000108.5P121 M141 Q150P121-V143 VanDerWaalsContact CG-O 3.27Å; P121-V143 WeakPolarHBondContact CG-O 3.33Å; M141-V143 HydrophobicContact CE-CG2 4.32Å; V143-Q150 HydrophobicContact CB-CB 3.84Å; V143-Q150 HydrophobicContact CG1-CB 3.63Å; V143-Q150 HydrophobicContact CG2-CB 4.43Å
144E97.1Very high94.7Very high79 Ų7944.3 Ų44.337%0.36924%0.242SC..  trans-71.3126.7169-170.864.9-158.500108.9K120 P121 Q150K120-E144 WeakPolarHBondContact CD-OE1 3.4Å; K120-E144 IonicContact NZ-OE1 3.5Å; K120-E144 PolarHBondContact NZ-OE1 3.46Å; P121-E144 WeakPolarHBondContact CD-OE2 3.38Å; E144-Q150 PolarHBondContact O-NE2 3.41Å
145P94.4Very high94.7Very high9 Ų945 Ų456%0.05825%0.248CC..THydrogen-bonded Turntrans-64.7153.1-175.225.5-35.2000113V44 M72 K120 M141V44-P145 HydrophobicContact CG1-CB 3.86Å; V44-P145 HydrophobicContact CG1-CG 4.01Å; M72-P145 HydrophobicContact CG-CB 4.22Å; M72-P145 HydrophobicContact SD-CB 3.46Å; M72-P145 WeakPolarHBondContact SD-CB 3.48Å; K120-P145 HydrophobicContact CD-CG 3.48Å; K120-P145 VanDerWaalsContact CD-CG 3.48Å; K120-P145 HydrophobicContact CG-CG 3.85Å; M141-P145 HydrophobicContact CE-CB 4.07Å
146G89.8Confident94.7Very high2 Ų245 Ų452%0.02125%0.249CC..THydrogen-bonded Turntrans127.6-26175.200000114.5N46N46-G146 WeakPolarHBondContact CB-O 3.4Å; N46-G146 PolarHBondContact ND2-O 2.78Å
147F83.6Confident94.7Very high111 Ų11143.4 Ų43.449%0.48724%0.24SC..  trans-140.9139.8179.6-59.6-79.1000112.6P45 N46 Q150P45-F147 HydrophobicContact CG-CE2 3.75Å; P45-F147 HydrophobicContact CG-CZ 4.22Å; P45-F147 WeakPolarHBondContact O-CZ 3.37Å; N46-F147 HydrophobicContact CB-CE1 4.25Å; N46-F147 HydrophobicContact CB-CZ 4.47Å; F147-Q150 PolarHBondContact O-NE2 2.95Å
148G81.3Confident94.7Very high55 Ų5547.3 Ų47.357%0.56727%0.265SS*.SBendtrans-74.5166167.400000112.6Q150G148-Q150 VanDerWaalsContact C-N 3.3Å; G148-Q150 PolarHBondContact O-N 3.34Å
149G78.4Confident94.7Very high76 Ų7648.6 Ų48.678%0.78427%0.271SS*.SBendtrans79.65.7174.200000115.6
150Q90Very high94.7Very high69 Ų6948.6 Ų48.632%0.32227%0.271SS..PPolyproline II helixtrans-72.4154.3174.6-68-178.380.400111.9V143 E144 F147 G148V143-Q150 HydrophobicContact CB-CB 3.84Å; V143-Q150 HydrophobicContact CG1-CB 3.63Å; V143-Q150 HydrophobicContact CG2-CB 4.43Å; E144-Q150 PolarHBondContact O-NE2 3.41Å; F147-Q150 PolarHBondContact O-NE2 2.95Å; G148-Q150 VanDerWaalsContact C-N 3.3Å; G148-Q150 PolarHBondContact O-N 3.34Å
151K94.1Very high94.7Very high187 Ų18751.1 Ų51.181%0.81329%0.288SS*.PPolyproline II helixtrans-75.7131.5-179.5-172-177.4177.8-173.90110.3M153K151-M153 PolarHBondContact O-N 2.77Å
152F98Very high94.7Very high16 Ų1654.6 Ų54.67%0.0730%0.302CS..PPolyproline II helixtrans-50.6132.5172.7-178.8-101.2000112.9T142 E154 M157 G176 V178 T182 K185 C186T142-F152 HydrophobicContact CG2-CD2 4.39Å; T142-F152 HydrophobicContact CG2-CE2 3.77Å; T142-F152 HydrophobicContact CG2-CZ 4.45Å; F152-E154 HydrophobicContact CD1-CB 4.47Å; F152-E154 HydrophobicContact CD1-CG 3.67Å; F152-E154 HydrophobicContact CE1-CB 4.22Å; F152-E154 HydrophobicContact CE1-CG 3.73Å; F152-M157 HydrophobicContact CE2-CE 4.07Å; F152-M157 HydrophobicContact CZ-CE 3.59Å; F152-M157 HydrophobicContact CZ-CG 4.27Å; F152-M157 HydrophobicContact CZ-SD 3.87Å; F152-G176 WeakPolarHBondContact CD2-O 3.17Å; F152-V178 HydrophobicContact CD2-CG2 4.22Å; F152-V178 HydrophobicContact CE2-CG2 4.16Å; F152-T182 HydrophobicContact CB-CG2 3.77Å; F152-T182 HydrophobicContact CD1-CG2 3.74Å; F152-T182 HydrophobicContact CD2-CG2 4.4Å; F152-T182 HydrophobicContact CE1-CG2 4.42Å; F152-T182 HydrophobicContact CG-CG2 3.72Å; F152-K185 HydrophobicContact CE1-CB 4.41Å; F152-K185 HydrophobicContact CE1-CD 4.2Å; F152-C186 WeakPolarHBondContact CE2-SG 3.31Å; F152-C186 VanDerWaalsContact CZ-SG 3.52Å
153M98.3Very high94.7Very high55 Ų5554.6 Ų54.627%0.27130%0.302SS..  trans-95.395.8177.1-65.4178.868.700110.7P121 T142 K151 D155 M156P121-M153 HydrophobicContact CB-CE 3.78Å; P121-M153 HydrophobicContact CB-SD 3.9Å; P121-M153 HydrophobicContact CG-CE 4.36Å; P121-M153 HydrophobicContact CG-SD 3.8Å; T142-M153 VanDerWaalsContact O-CB 3.31Å; T142-M153 WeakPolarHBondContact O-CB 3.14Å; T142-M153 WeakPolarHBondContact O-CG 3.31Å; T142-M153 PolarHBondContact O-N 2.8Å; K151-M153 PolarHBondContact O-N 2.77Å; M153-D155 WeakPolarHBondContact CB-OD1 3.45Å; M153-D155 PolarHBondContact O-N 3.02Å; M153-M156 HydrophobicContact CB-CG 3.79Å; M153-M156 HydrophobicContact CE-CE 4.11Å; M153-M156 WeakPolarHBondContact O-CB 3.46Å; M153-M156 PolarHBondContact O-N 3.48Å; M153-M156 VanDerWaalsContact O-N 3.13Å
154E98.2Very high94.7Very high104 Ų10454.5 Ų54.549%0.48630%0.3SS..G310 helixtrans-61.7-28.5-179.4-59.5-170.5-163.100113.1F152 M156 M157 K185F152-E154 HydrophobicContact CD1-CB 4.47Å; F152-E154 HydrophobicContact CD1-CG 3.67Å; F152-E154 HydrophobicContact CE1-CB 4.22Å; F152-E154 HydrophobicContact CE1-CG 3.73Å; E154-M156 PolarHBondContact O-N 3.44Å; E154-M156 VanDerWaalsContact O-N 3.16Å; E154-M157 WeakPolarHBondContact O-CB 3.38Å; E154-M157 VanDerWaalsContact O-CG 3.32Å; E154-M157 WeakPolarHBondContact O-CG 3.42Å; E154-M157 PolarHBondContact O-N 2.93Å; E154-M157 VanDerWaalsContact O-N 3.11Å; E154-K185 VanDerWaalsContact CD-CE 3.46Å; E154-K185 HydrophobicContact CG-CD 3.96Å; E154-K185 IonicContact OE1-NZ 2.86Å; E154-K185 PolarHBondContact OE1-NZ 2.92Å; E154-K185 WeakPolarHBondContact OE2-CE 3.37Å; E154-K185 IonicContact OE2-NZ 3.52Å; E154-K185 PolarHBondContact OE2-NZ 3.27Å
155D98.3Very high94.7Very high104 Ų10454.8 Ų54.856%0.55631%0.311SS*.G310 helixtrans-68.9-3.5177.260.3-44.5000113.8M153 P158M153-D155 WeakPolarHBondContact CB-OD1 3.45Å; M153-D155 PolarHBondContact O-N 3.02Å; D155-P158 WeakPolarHBondContact O-CD 3.46Å
156M98.8Very high94.9Very high13 Ų1359.3 Ų59.36%0.06433%0.331CS..G310 helixtrans-85-18.2169.4-63.2-59.1101.200113.6P121 V140 T142 M153 E154 P158 K159P121-M156 VanDerWaalsContact CA-SD 3.56Å; P121-M156 HydrophobicContact CB-CE 4.34Å; P121-M156 HydrophobicContact CB-SD 3.73Å; P121-M156 HydrophobicContact CG-SD 4.49Å; V140-M156 HydrophobicContact CG1-CB 4.4Å; T142-M156 HydrophobicContact CG2-CB 4.01Å; M153-M156 HydrophobicContact CB-CG 3.79Å; M153-M156 HydrophobicContact CE-CE 4.11Å; M153-M156 WeakPolarHBondContact O-CB 3.46Å; M153-M156 PolarHBondContact O-N 3.48Å; M153-M156 VanDerWaalsContact O-N 3.13Å; E154-M156 PolarHBondContact O-N 3.44Å; E154-M156 VanDerWaalsContact O-N 3.16Å; M156-P158 VanDerWaalsContact C-CD 3.41Å; M156-P158 VanDerWaalsContact C-N 3.34Å; M156-K159 VanDerWaalsContact O-CB 3.31Å; M156-K159 WeakPolarHBondContact O-CB 3.45Å; M156-K159 PolarHBondContact O-N 3.15Å; M156-K159 HydrophobicContact SD-CD 4.13Å
157M98.8Very high95.2Very high18 Ų1861.9 Ų61.99%0.08934%0.342CS..Hα-helixtrans-58.7-34.1180-63.4-59.193.700114.6T142 F152 E154 K159 V160 S161 V174 K185 C186 A189T142-M157 HydrophobicContact CG2-CE 3.62Å; F152-M157 HydrophobicContact CE2-CE 4.07Å; F152-M157 HydrophobicContact CZ-CE 3.59Å; F152-M157 HydrophobicContact CZ-CG 4.27Å; F152-M157 HydrophobicContact CZ-SD 3.87Å; E154-M157 WeakPolarHBondContact O-CB 3.38Å; E154-M157 VanDerWaalsContact O-CG 3.32Å; E154-M157 WeakPolarHBondContact O-CG 3.42Å; E154-M157 PolarHBondContact O-N 2.93Å; E154-M157 VanDerWaalsContact O-N 3.11Å; M157-K159 PolarHBondContact O-N 3.44Å; M157-V160 HydrophobicContact CE-CG2 3.94Å; M157-V160 PolarHBondContact O-N 2.92Å; M157-V160 VanDerWaalsContact O-N 3.13Å; M157-S161 PolarHBondContact O-N 3.23Å; M157-S161 PolarHBondContact O-OG 2.84Å; M157-V174 HydrophobicContact CE-CG1 4.31Å; M157-K185 HydrophobicContact CG-CB 4.31Å; M157-K185 HydrophobicContact SD-CB 4.4Å; M157-C186 VanDerWaalsContact SD-CA 3.56Å; M157-C186 HydrophobicContact SD-CB 4.35Å; M157-A189 HydrophobicContact CB-CB 4.01Å; M157-A189 HydrophobicContact CG-CB 4.42Å; M157-A189 HydrophobicContact SD-CB 3.89Å
158P98.8Very high95.8Very high84 Ų8458.8 Ų58.855%0.54533%0.333SS..Hα-helixtrans-53-36.3169.8-29.137.1000114D155 M156 W162D155-P158 WeakPolarHBondContact O-CD 3.46Å; M156-P158 VanDerWaalsContact C-CD 3.41Å; M156-P158 VanDerWaalsContact C-N 3.34Å; P158-W162 VanDerWaalsContact O-CB 3.29Å; P158-W162 WeakPolarHBondContact O-CB 3.38Å; P158-W162 PolarHBondContact O-N 3.13Å
159K98.8Very high96.5Very high26 Ų2660.2 Ų60.211%0.11333%0.334CS..Hα-helixtrans-65.9-45.5176.3-57.5-173.9-174.8-1780111.5I119 K120 P121 T123 V125 V140 M156 M157 W162 L163I119-K159 HydrophobicContact CD1-CD 4.28Å; K120-K159 PolarHBondContact O-NZ 2.94Å; P121-K159 PolarHBondContact O-NZ 2.99Å; T123-K159 PolarHBondContact O-NZ 2.85Å; V125-K159 HydrophobicContact CB-CB 3.9Å; V125-K159 HydrophobicContact CB-CD 4.35Å; V125-K159 HydrophobicContact CB-CG 4.03Å; V125-K159 HydrophobicContact CG1-CB 4.41Å; V125-K159 HydrophobicContact CG1-CG 4.44Å; V125-K159 HydrophobicContact CG2-CB 4.01Å; V140-K159 HydrophobicContact CG1-CB 4.14Å; V140-K159 HydrophobicContact CG1-CD 4.23Å; M156-K159 VanDerWaalsContact O-CB 3.31Å; M156-K159 WeakPolarHBondContact O-CB 3.45Å; M156-K159 PolarHBondContact O-N 3.15Å; M156-K159 HydrophobicContact SD-CD 4.13Å; M157-K159 PolarHBondContact O-N 3.44Å; K159-W162 PolarHBondContact O-N 3.47Å; K159-L163 PolarHBondContact O-N 3.15Å
160V98.8Very high97.4Very high0 Ų057.3 Ų57.30%030%0.301CS..Hα-helixtrans-61.5-46.5178176.90000110.8V140 M157 W162 L163 R164 I172 V174 A189 A191V140-V160 HydrophobicContact CB-CG2 3.96Å; V140-V160 HydrophobicContact CG1-CG2 4.02Å; V140-V160 HydrophobicContact CG2-CG2 4.05Å; M157-V160 HydrophobicContact CE-CG2 3.94Å; M157-V160 PolarHBondContact O-N 2.92Å; M157-V160 VanDerWaalsContact O-N 3.13Å; V160-W162 VanDerWaalsContact C-N 3.34Å; V160-W162 PolarHBondContact O-N 3.48Å; V160-L163 PolarHBondContact O-N 3.24Å; V160-R164 WeakPolarHBondContact O-CB 3.25Å; V160-R164 PolarHBondContact O-N 3.11Å; V160-I172 HydrophobicContact CG1-CG2 4.13Å; V160-V174 HydrophobicContact CG2-CG1 3.77Å; V160-A189 HydrophobicContact CB-CB 3.95Å; V160-A189 HydrophobicContact CG1-CB 3.74Å; V160-A191 HydrophobicContact CG1-CB 4.1Å; V160-A191 VanDerWaalsContact CG1-N 3.33Å
161S98.6Very high97.8Very high53 Ų5355.5 Ų55.537%0.37129%0.293SS..Hα-helixtrans-61.3-41.7176-63.80000112.3M157 R164 S165 A189M157-S161 PolarHBondContact O-N 3.23Å; M157-S161 PolarHBondContact O-OG 2.84Å; S161-R164 PolarHBondContact O-N 2.94Å; S161-S165 WeakPolarHBondContact O-CB 3.32Å; S161-S165 PolarHBondContact O-N 3.17Å; S161-A189 VanDerWaalsContact CA-O 3.31Å; S161-A189 WeakPolarHBondContact CA-O 3.35Å; S161-A189 WeakPolarHBondContact OG-CA 3.26Å; S161-A189 WeakPolarHBondContact OG-CB 3.38Å; S161-A189 PolarHBondContact OG-O 3.38Å
162W98.7Very high98Very high77 Ų7746.6 Ų46.629%0.29225%0.254SS..Hα-helixtrans-63.4-49.5177.5-171.697.1000111.5V125 E126 A129 P158 K159 V160 R164 S165 Q166 F167V125-W162 HydrophobicContact CB-CE3 4.4Å; V125-W162 HydrophobicContact CG1-CB 4.24Å; V125-W162 HydrophobicContact CG1-CD2 3.86Å; V125-W162 HydrophobicContact CG1-CE3 3.73Å; V125-W162 HydrophobicContact CG1-CG 4.1Å; V125-W162 HydrophobicContact CG1-CZ3 4.37Å; V125-W162 HydrophobicContact CG2-CE3 3.82Å; V125-W162 HydrophobicContact CG2-CZ3 4.31Å; E126-W162 HydrophobicContact CG-CZ2 4.33Å; A129-W162 HydrophobicContact CB-CH2 3.56Å; A129-W162 HydrophobicContact CB-CZ3 3.81Å; P158-W162 VanDerWaalsContact O-CB 3.29Å; P158-W162 WeakPolarHBondContact O-CB 3.38Å; P158-W162 PolarHBondContact O-N 3.13Å; K159-W162 PolarHBondContact O-N 3.47Å; V160-W162 VanDerWaalsContact C-N 3.34Å; V160-W162 PolarHBondContact O-N 3.48Å; W162-R164 VanDerWaalsContact C-N 3.34Å; W162-R164 PolarHBondContact O-N 3.29Å; W162-S165 WeakPolarHBondContact O-CB 3.43Å; W162-S165 PolarHBondContact O-N 3.2Å; W162-S165 VanDerWaalsContact O-N 3.17Å; W162-Q166 HydrophobicContact CD2-CG 3.84Å; W162-Q166 HydrophobicContact CE3-CG 4Å; W162-Q166 HydrophobicContact CH2-CB 4.47Å; W162-Q166 HydrophobicContact CH2-CG 3.84Å; W162-Q166 HydrophobicContact CZ2-CG 3.68Å; W162-Q166 HydrophobicContact CZ3-CB 4.37Å; W162-Q166 HydrophobicContact CZ3-CG 4Å; W162-Q166 WeakPolarHBondContact O-CG 3.14Å; W162-Q166 PolarHBondContact O-N 3.41Å; W162-F167 HydrophobicContact CH2-CE2 4.45Å; W162-F167 AromaticContact CZ3-CE2 3.96Å; W162-F167 HydrophobicContact CZ3-CE2 3.96Å
163L98.4Very high98.1Very high0 Ų045.9 Ų45.90%025%0.251CS..Hα-helixtrans-58.2-45.7176.6-75.4171.3000111.8V125 L128 A138 V140 K159 V160 S165 Q166 F167 I172V125-L163 HydrophobicContact CG2-CD1 3.8Å; V125-L163 HydrophobicContact CG2-CD2 3.71Å; V125-L163 HydrophobicContact CG2-CG 3.42Å; V125-L163 VanDerWaalsContact CG2-CG 3.42Å; L128-L163 HydrophobicContact CD2-CD2 3.82Å; A138-L163 HydrophobicContact CB-CD1 4.18Å; V140-L163 HydrophobicContact CG2-CD1 3.72Å; K159-L163 PolarHBondContact O-N 3.15Å; V160-L163 PolarHBondContact O-N 3.24Å; L163-S165 VanDerWaalsContact C-N 3.27Å; L163-S165 PolarHBondContact O-N 2.98Å; L163-Q166 PolarHBondContact O-N 3.24Å; L163-F167 HydrophobicContact CD2-CD2 3.92Å; L163-F167 HydrophobicContact CD2-CE2 4.06Å; L163-F167 WeakPolarHBondContact O-CA 3.45Å; L163-F167 WeakPolarHBondContact O-CB 3.47Å; L163-F167 PolarHBondContact O-N 3.34Å; L163-I172 HydrophobicContact CB-CD1 3.61Å; L163-I172 HydrophobicContact CB-CG1 4.31Å
164R97.9Very high98.1Very high7 Ų743.2 Ų43.23%0.02624%0.238CC..Hα-helixtrans-63.9-35.1179.7179.456.165.4-155.3-6.1112.4Y3 V160 S161 W162 P168 L170 I172 G190 N192Y3-R164 VanDerWaalsContact CZ-CZ 3.44Å; Y3-R164 WeakPolarHBondContact OH-CD 3.39Å; Y3-R164 PolarHBondContact OH-NE 3.19Å; V160-R164 WeakPolarHBondContact O-CB 3.25Å; V160-R164 PolarHBondContact O-N 3.11Å; S161-R164 PolarHBondContact O-N 2.94Å; W162-R164 VanDerWaalsContact C-N 3.34Å; W162-R164 PolarHBondContact O-N 3.29Å; R164-P168 PolarHBondContact NH1-O 3.11Å; R164-P168 WeakPolarHBondContact O-CA 3.49Å; R164-L170 VanDerWaalsContact CZ-O 3.28Å; R164-L170 PolarHBondContact NH1-O 3Å; R164-L170 PolarHBondContact NH2-O 3.14Å; R164-I172 HydrophobicContact CB-CD1 3.84Å; R164-G190 PolarHBondContact NE-O 2.64Å; R164-G190 PolarHBondContact NH2-O 3.42Å; R164-N192 PolarHBondContact NH2-OD1 3.01Å
165S97.1Very high98.1Very high84 Ų8439.1 Ų39.159%0.58722%0.219SC*.Hα-helixtrans-68.2-47.5176.7-1790000111.7S161 W162 L163S161-S165 WeakPolarHBondContact O-CB 3.32Å; S161-S165 PolarHBondContact O-N 3.17Å; W162-S165 WeakPolarHBondContact O-CB 3.43Å; W162-S165 PolarHBondContact O-N 3.2Å; W162-S165 VanDerWaalsContact O-N 3.17Å; L163-S165 VanDerWaalsContact C-N 3.27Å; L163-S165 PolarHBondContact O-N 2.98Å
166Q97.6Very high98Very high104 Ų10434.4 Ų34.449%0.48620%0.196SC..Hα-helixtrans-76.5-33.7-177.6-62.9-54.2-65.800113.2W162 L163 P168W162-Q166 HydrophobicContact CD2-CG 3.84Å; W162-Q166 HydrophobicContact CE3-CG 4Å; W162-Q166 HydrophobicContact CH2-CB 4.47Å; W162-Q166 HydrophobicContact CH2-CG 3.84Å; W162-Q166 HydrophobicContact CZ2-CG 3.68Å; W162-Q166 HydrophobicContact CZ3-CB 4.37Å; W162-Q166 HydrophobicContact CZ3-CG 4Å; W162-Q166 WeakPolarHBondContact O-CG 3.14Å; W162-Q166 PolarHBondContact O-N 3.41Å; L163-Q166 PolarHBondContact O-N 3.24Å; Q166-P168 WeakPolarHBondContact O-CD 3.4Å
167F96.9Very high97.9Very high56 Ų5635.7 Ų35.725%0.24621%0.212CC..  trans-127.573.9-174.9-50.1-70000110.7A129 A132 W162 L163 S169 L170A129-F167 HydrophobicContact CB-CE2 4.16Å; A129-F167 HydrophobicContact CB-CZ 4.06Å; A132-F167 HydrophobicContact CB-CD1 3.73Å; A132-F167 HydrophobicContact CB-CD2 3.73Å; A132-F167 HydrophobicContact CB-CE1 3.59Å; A132-F167 HydrophobicContact CB-CE2 3.58Å; A132-F167 HydrophobicContact CB-CG 3.8Å; A132-F167 HydrophobicContact CB-CZ 3.51Å; W162-F167 HydrophobicContact CH2-CE2 4.45Å; W162-F167 AromaticContact CZ3-CE2 3.96Å; W162-F167 HydrophobicContact CZ3-CE2 3.96Å; L163-F167 HydrophobicContact CD2-CD2 3.92Å; L163-F167 HydrophobicContact CD2-CE2 4.06Å; L163-F167 WeakPolarHBondContact O-CA 3.45Å; L163-F167 WeakPolarHBondContact O-CB 3.47Å; L163-F167 PolarHBondContact O-N 3.34Å; F167-S169 PolarHBondContact O-N 3.33Å; F167-L170 HydrophobicContact CB-CB 3.77Å; F167-L170 HydrophobicContact CB-CD2 4.05Å; F167-L170 HydrophobicContact CD2-CD2 4.4Å; F167-L170 HydrophobicContact CG-CD2 4.42Å; F167-L170 PolarHBondContact O-N 3.49Å; F167-L170 VanDerWaalsContact O-N 3.13Å
168P95.5Very high97.8Very high47 Ų4735.1 Ų35.131%0.30521%0.21SC..THydrogen-bonded Turntrans-55.9-27.1-173.5-30.638000115.4Y3 R164 Q166Y3-P168 WeakPolarHBondContact CE1-O 3.39Å; R164-P168 PolarHBondContact NH1-O 3.11Å; R164-P168 WeakPolarHBondContact O-CA 3.49Å; Q166-P168 WeakPolarHBondContact O-CD 3.4Å
169S95.6Very high97.8Very high84 Ų8431.3 Ų31.359%0.58719%0.186SC*.THydrogen-bonded Turntrans-98.5-6.9-175.6-56.10000114.4S2 F167S2-S169 WeakPolarHBondContact OG-CB 3.43Å; F167-S169 PolarHBondContact O-N 3.33Å
170L97.8Very high97.7Very high16 Ų1633.2 Ų33.28%0.08420%0.201CC..SBendtrans-70.8137.6-176179.961.8000110.8A132 I135 A138 R164 F167 I172A132-L170 HydrophobicContact CB-CD2 4.2Å; I135-L170 HydrophobicContact CD1-CD1 4.36Å; I135-L170 HydrophobicContact CG1-CD1 4.03Å; A138-L170 HydrophobicContact CB-CD2 3.9Å; A138-L170 HydrophobicContact CB-CG 4.48Å; R164-L170 VanDerWaalsContact CZ-O 3.28Å; R164-L170 PolarHBondContact NH1-O 3Å; R164-L170 PolarHBondContact NH2-O 3.14Å; F167-L170 HydrophobicContact CB-CB 3.77Å; F167-L170 HydrophobicContact CB-CD2 4.05Å; F167-L170 HydrophobicContact CD2-CD2 4.4Å; F167-L170 HydrophobicContact CG-CD2 4.42Å; F167-L170 PolarHBondContact O-N 3.49Å; F167-L170 VanDerWaalsContact O-N 3.13Å; L170-I172 HydrophobicContact CD2-CG1 4.45Å; L170-I172 HydrophobicContact CG-CG1 4.31Å; L170-I172 PolarHBondContact O-N 3.27Å
171D98.6Very high97.7Very high31 Ų3138.1 Ų38.117%0.16624%0.235CC..EExtended strand (participates in β ladder)trans-72.3123.8166.5-83.8-21.6000108.3Y3 K6 M137 A138 N192 M193Y3-D171 WeakPolarHBondContact CB-OD1 3.44Å; K6-D171 IonicContact NZ-OD2 3.62Å; K6-D171 PolarHBondContact NZ-OD2 2.86Å; M137-D171 WeakPolarHBondContact CA-O 3.3Å; M137-D171 HydrophobicContact CB-CB 4.35Å; M137-D171 HydrophobicContact CG-CB 4.23Å; A138-D171 PolarHBondContact N-O 3.12Å; D171-N192 WeakPolarHBondContact CA-OD1 3.44Å; D171-N192 PolarHBondContact OD1-ND2 3.39Å; D171-M193 HydrophobicContact CB-CG 4.37Å; D171-M193 HydrophobicContact CB-SD 3.86Å
172I98.9Very high97.7Very high0 Ų036.2 Ų36.20%022%0.222CC..EExtended strand (participates in β ladder)trans-118.3119.7-179.1-58167.6000108.2A138 V160 L163 R164 L170 A191 N192 M193A138-I172 WeakPolarHBondContact O-CA 3.26Å; V160-I172 HydrophobicContact CG1-CG2 4.13Å; L163-I172 HydrophobicContact CB-CD1 3.61Å; L163-I172 HydrophobicContact CB-CG1 4.31Å; R164-I172 HydrophobicContact CB-CD1 3.84Å; L170-I172 HydrophobicContact CD2-CG1 4.45Å; L170-I172 HydrophobicContact CG-CG1 4.31Å; L170-I172 PolarHBondContact O-N 3.27Å; I172-A191 WeakPolarHBondContact O-CA 3.46Å; I172-N192 PolarHBondContact N-OD1 3.21Å; I172-N192 PolarHBondContact O-N 3.5Å; I172-M193 PolarHBondContact O-N 3.31Å
173E98.9Very high97.7Very high0 Ų032.6 Ų32.60%021%0.208CC..EExtended strand (participates in β ladder)trans-100.8148.5177.5-165.6176.3-117.800111.7Y33 H35 M137 A138 L139 V140 M193 V195Y33-E173 VanDerWaalsContact CE2-OE1 3.28Å; Y33-E173 WeakPolarHBondContact CE2-OE1 3.25Å; Y33-E173 VanDerWaalsContact CZ-OE1 3.22Å; Y33-E173 PolarHBondContact OH-OE1 3.47Å; H35-E173 IonicContact CE1-OE2 3.74Å; H35-E173 IonicContact ND1-OE1 3.77Å; H35-E173 IonicContact ND1-OE2 3.31Å; M137-E173 HydrophobicContact CE-CB 3.97Å; M137-E173 HydrophobicContact CE-CG 4.43Å; M137-E173 WeakPolarHBondContact CE-OE2 3.41Å; M137-E173 HydrophobicContact CG-CB 4.09Å; M137-E173 HydrophobicContact SD-CB 3.68Å; M137-E173 HydrophobicContact SD-CG 4.24Å; A138-E173 PolarHBondContact O-N 3.38Å; L139-E173 HydrophobicContact CB-CB 4.35Å; L139-E173 HydrophobicContact CD1-CB 3.96Å; L139-E173 HydrophobicContact CD1-CG 3.89Å; V140-E173 PolarHBondContact N-O 3.24Å; E173-M193 VanDerWaalsContact CA-O 3.28Å; E173-M193 WeakPolarHBondContact CA-O 3.2Å; E173-M193 HydrophobicContact CB-CB 3.8Å; E173-M193 HydrophobicContact CG-CB 3.86Å; E173-V195 HydrophobicContact CG-CG2 3.77Å; E173-V195 VanDerWaalsContact OE1-CG2 3.27Å; E173-V195 WeakPolarHBondContact OE1-CG2 3.48Å
174V98.9Very high97.7Very high0 Ų037 Ų370%023%0.228CC..EExtended strand (participates in β ladder)trans-125.6136.9167.2-70.50000109.9V140 T142 M157 V160 V178 C186 A191 M193 I194 V195V140-V174 WeakPolarHBondContact O-CA 3.3Å; T142-V174 HydrophobicContact CG2-CB 4.25Å; T142-V174 HydrophobicContact CG2-CG1 4.22Å; M157-V174 HydrophobicContact CE-CG1 4.31Å; V160-V174 HydrophobicContact CG2-CG1 3.77Å; V174-V178 HydrophobicContact CB-CG2 4.36Å; V174-V178 HydrophobicContact CG2-CG2 4Å; V174-C186 HydrophobicContact CG2-CB 3.89Å; V174-A191 HydrophobicContact CG1-CB 3.85Å; V174-A191 HydrophobicContact CG2-CB 3.9Å; V174-M193 PolarHBondContact N-O 3.07Å; V174-I194 HydrophobicContact CG2-CD1 3.84Å; V174-V195 WeakPolarHBondContact O-CB 3.3Å; V174-V195 PolarHBondContact O-N 2.79Å
175D98.5Very high97.7Very high17 Ų1740.1 Ų40.19%0.09124%0.242CC..EExtended strand (participates in β ladder)trans-136.8131.8176.2178.929.3000111.5H35 H70 L139 M141 T142 V195H35-D175 IonicContact NE2-OD2 3.41Å; H70-D175 IonicContact CE1-OD2 3.89Å; H70-D175 IonicContact ND1-OD2 3.91Å; L139-D175 HydrophobicContact CD1-CB 3.73Å; M141-D175 HydrophobicContact CE-CB 4.38Å; M141-D175 HydrophobicContact SD-CB 4.12Å; T142-D175 PolarHBondContact N-O 3.23Å; T142-D175 PolarHBondContact OG1-O 2.87Å; T142-D175 VanDerWaalsContact OG1-O 3.07Å; D175-V195 HydrophobicContact CB-CB 3.78Å; D175-V195 HydrophobicContact CB-CG1 4.14Å; D175-V195 HydrophobicContact CB-CG2 4.1Å; D175-V195 WeakPolarHBondContact OD1-CG1 3.36Å
176G96.8Very high97.8Very high6 Ų636.1 Ų36.16%0.06221%0.214CC..SBendtrans120.3104.6177.300000113.9T142 F152 V178T142-G176 PolarHBondContact OG1-O 3.26Å; F152-G176 WeakPolarHBondContact CD2-O 3.17Å; G176-V178 PolarHBondContact O-N 3.2Å
177G95.4Very high97.8Very high40 Ų4031.2 Ų31.241%0.41219%0.191SC..SBendtrans69.318.7175.100000114.5T182G177-T182 PolarHBondContact O-OG1 3.15Å
178V97.7Very high97.9Very high5 Ų534.7 Ų34.73%0.0321%0.208CC..  trans-84.2130.2178.9-169.10000110.5F152 V174 G176 T182 I183 I194 V195 S196F152-V178 HydrophobicContact CD2-CG2 4.22Å; F152-V178 HydrophobicContact CE2-CG2 4.16Å; V174-V178 HydrophobicContact CB-CG2 4.36Å; V174-V178 HydrophobicContact CG2-CG2 4Å; G176-V178 PolarHBondContact O-N 3.2Å; V178-T182 WeakPolarHBondContact CA-OG1 3.34Å; V178-I183 HydrophobicContact CG1-CD1 4.09Å; V178-I194 HydrophobicContact CB-CG2 4.48Å; V178-I194 HydrophobicContact CG1-CG2 3.7Å; V178-V195 WeakPolarHBondContact CB-O 3.48Å; V178-S196 WeakPolarHBondContact O-CB 3.21Å; V178-S196 PolarHBondContact O-OG 3Å
179G97.6Very high98Very high4 Ų432.9 Ų32.94%0.04120%0.197CC..SBendtrans-170.7-167.7-179.800000111.6S181 T182 I183G179-S181 PolarHBondContact O-N 2.89Å; G179-S181 VanDerWaalsContact O-N 3.07Å; G179-T182 PolarHBondContact N-OG1 2.72Å; G179-T182 PolarHBondContact O-N 3.19Å; G179-T182 PolarHBondContact O-OG1 3.38Å; G179-I183 WeakPolarHBondContact O-CB 3.44Å; G179-I183 PolarHBondContact O-N 3.05Å
180P97.9Very high98.1Very high66 Ų6628.9 Ų28.943%0.42917%0.169SC..THydrogen-bonded Turntrans-51.5-35.8-175.6-22.324.9000115.3V209 M212P180-V209 HydrophobicContact CG-CG1 4.41Å; P180-M212 HydrophobicContact CB-CE 3.44Å; P180-M212 VanDerWaalsContact CB-CE 3.44Å; P180-M212 HydrophobicContact CB-SD 4.29Å; P180-M212 HydrophobicContact CG-CE 3.42Å; P180-M212 VanDerWaalsContact CG-CE 3.42Å
181S97.4Very high98.2Very high104 Ų10428.1 Ų28.173%0.72717%0.165SC*.THydrogen-bonded Turntrans-81.5-15.4-178.355.60000114.6G179G179-S181 PolarHBondContact O-N 2.89Å; G179-S181 VanDerWaalsContact O-N 3.07Å
182T98.6Very high98.2Very high13 Ų1326.7 Ų26.78%0.0816%0.157CC..THydrogen-bonded Turntrans-121.6-15.2-172.350.50000113.2F152 G177 V178 G179 H184 K185 C186F152-T182 HydrophobicContact CB-CG2 3.77Å; F152-T182 HydrophobicContact CD1-CG2 3.74Å; F152-T182 HydrophobicContact CD2-CG2 4.4Å; F152-T182 HydrophobicContact CE1-CG2 4.42Å; F152-T182 HydrophobicContact CG-CG2 3.72Å; G177-T182 PolarHBondContact O-OG1 3.15Å; V178-T182 WeakPolarHBondContact CA-OG1 3.34Å; G179-T182 PolarHBondContact N-OG1 2.72Å; G179-T182 PolarHBondContact O-N 3.19Å; G179-T182 PolarHBondContact O-OG1 3.38Å; T182-H184 VanDerWaalsContact C-N 3.31Å; T182-H184 PolarHBondContact O-N 3.17Å; T182-K185 PolarHBondContact O-N 3.33Å; T182-K185 VanDerWaalsContact O-N 3.15Å; T182-C186 PolarHBondContact O-N 2.99Å; T182-C186 PolarHBondContact O-SG 3Å
183I98.6Very high98.2Very high0 Ų026.9 Ų26.90%016%0.159CC..Hα-helixtrans-58.6-39.2-175.6-172.257.4000113.2V178 G179 K185 C186 A187 I194 M212 L213 A216 V217V178-I183 HydrophobicContact CG1-CD1 4.09Å; G179-I183 WeakPolarHBondContact O-CB 3.44Å; G179-I183 PolarHBondContact O-N 3.05Å; I183-K185 VanDerWaalsContact C-N 3.3Å; I183-K185 PolarHBondContact O-N 3.42Å; I183-C186 WeakPolarHBondContact O-CB 3.48Å; I183-C186 PolarHBondContact O-N 3.45Å; I183-A187 VanDerWaalsContact O-CB 3.24Å; I183-A187 WeakPolarHBondContact O-CB 3.42Å; I183-A187 PolarHBondContact O-N 3.42Å; I183-I194 HydrophobicContact CD1-CB 4.41Å; I183-I194 HydrophobicContact CD1-CD1 3.57Å; I183-I194 HydrophobicContact CD1-CG1 3.78Å; I183-I194 HydrophobicContact CD1-CG2 3.77Å; I183-M212 HydrophobicContact CG2-SD 4.14Å; I183-L213 HydrophobicContact CB-CD2 3.62Å; I183-L213 HydrophobicContact CD1-CD2 4.09Å; I183-L213 HydrophobicContact CG1-CB 4.38Å; I183-L213 HydrophobicContact CG1-CD2 3.72Å; I183-L213 HydrophobicContact CG2-CD2 3.99Å; I183-A216 HydrophobicContact CG1-CB 3.95Å; I183-A216 HydrophobicContact CG2-CB 3.95Å; I183-V217 HydrophobicContact CD1-CG2 3.83Å; I183-V217 HydrophobicContact CG1-CG2 4.29Å
184H98.5Very high98.2Very high93 Ų9326.9 Ų26.943%0.43116%0.159SC..Hα-helixtrans-61-39.2-179.7-70.1-70.7000112T182 C186 A187 E188T182-H184 VanDerWaalsContact C-N 3.31Å; T182-H184 PolarHBondContact O-N 3.17Å; H184-C186 PolarHBondContact O-N 3.34Å; H184-A187 PolarHBondContact O-N 3.11Å; H184-E188 VanDerWaalsContact O-CB 3.25Å; H184-E188 WeakPolarHBondContact O-CB 3.47Å; H184-E188 WeakPolarHBondContact O-CG 3.29Å; H184-E188 PolarHBondContact O-N 3.34Å
185K98.6Very high98.2Very high73 Ų7326.9 Ų26.932%0.31716%0.159SC..Hα-helixtrans-62.9-44177.2-65.2172.4178.2144.40111.3F152 E154 M157 T182 I183 A189F152-K185 HydrophobicContact CE1-CB 4.41Å; F152-K185 HydrophobicContact CE1-CD 4.2Å; E154-K185 VanDerWaalsContact CD-CE 3.46Å; E154-K185 HydrophobicContact CG-CD 3.96Å; E154-K185 IonicContact OE1-NZ 2.86Å; E154-K185 PolarHBondContact OE1-NZ 2.92Å; E154-K185 WeakPolarHBondContact OE2-CE 3.37Å; E154-K185 IonicContact OE2-NZ 3.52Å; E154-K185 PolarHBondContact OE2-NZ 3.27Å; M157-K185 HydrophobicContact CG-CB 4.31Å; M157-K185 HydrophobicContact SD-CB 4.4Å; T182-K185 PolarHBondContact O-N 3.33Å; T182-K185 VanDerWaalsContact O-N 3.15Å; I183-K185 VanDerWaalsContact C-N 3.3Å; I183-K185 PolarHBondContact O-N 3.42Å; K185-A189 VanDerWaalsContact O-CB 3.27Å; K185-A189 WeakPolarHBondContact O-CB 3.33Å; K185-A189 PolarHBondContact O-N 3.34Å
186C98.8Very high98.1Very high0 Ų026.1 Ų26.10%016%0.155CC..Hα-helixtrans-64.5-48.9177.8-55.20000111.7F152 M157 V174 T182 I183 H184 A189 G190 A191 I194F152-C186 WeakPolarHBondContact CE2-SG 3.31Å; F152-C186 VanDerWaalsContact CZ-SG 3.52Å; M157-C186 VanDerWaalsContact SD-CA 3.56Å; M157-C186 HydrophobicContact SD-CB 4.35Å; V174-C186 HydrophobicContact CG2-CB 3.89Å; T182-C186 PolarHBondContact O-N 2.99Å; T182-C186 PolarHBondContact O-SG 3Å; I183-C186 WeakPolarHBondContact O-CB 3.48Å; I183-C186 PolarHBondContact O-N 3.45Å; H184-C186 PolarHBondContact O-N 3.34Å; C186-A189 PolarHBondContact O-N 3.44Å; C186-G190 PolarHBondContact O-N 2.94Å; C186-G190 VanDerWaalsContact O-N 3.1Å; C186-A191 HydrophobicContact CB-CB 4.22Å; C186-A191 WeakPolarHBondContact O-CB 3.34Å; C186-A191 PolarHBondContact O-N 2.81Å; C186-I194 HydrophobicContact CB-CD1 4.46Å
187A98.5Very high98Very high1 Ų126.5 Ų26.51%0.00816%0.158CC..Hα-helixtrans-64.4-39.6-179.100000112.1I183 H184 V217 A220 R224I183-A187 VanDerWaalsContact O-CB 3.24Å; I183-A187 WeakPolarHBondContact O-CB 3.42Å; I183-A187 PolarHBondContact O-N 3.42Å; H184-A187 PolarHBondContact O-N 3.11Å; A187-V217 HydrophobicContact CB-CB 4.48Å; A187-V217 HydrophobicContact CB-CG2 4.07Å; A187-A220 HydrophobicContact CB-CB 3.85Å; A187-A220 WeakPolarHBondContact O-CB 3.19Å; A187-R224 PolarHBondContact O-NH2 2.92Å
188E98.2Very high97.9Very high129 Ų12927.5 Ų27.560%0.60316%0.159SC*.Hα-helixtrans-70.8-40.5176.5-73.6170.2-177.300111.2H184 R224H184-E188 VanDerWaalsContact O-CB 3.25Å; H184-E188 WeakPolarHBondContact O-CB 3.47Å; H184-E188 WeakPolarHBondContact O-CG 3.29Å; H184-E188 PolarHBondContact O-N 3.34Å; E188-R224 PolarHBondContact O-NH1 2.91Å
189A98.5Very high97.7Very high9 Ų929 Ų297%0.07417%0.171CC..Hα-helixtrans-61.7-48.2178.900000112.3M157 V160 S161 K185 C186 R224M157-A189 HydrophobicContact CB-CB 4.01Å; M157-A189 HydrophobicContact CG-CB 4.42Å; M157-A189 HydrophobicContact SD-CB 3.89Å; V160-A189 HydrophobicContact CB-CB 3.95Å; V160-A189 HydrophobicContact CG1-CB 3.74Å; S161-A189 VanDerWaalsContact CA-O 3.31Å; S161-A189 WeakPolarHBondContact CA-O 3.35Å; S161-A189 WeakPolarHBondContact OG-CA 3.26Å; S161-A189 WeakPolarHBondContact OG-CB 3.38Å; S161-A189 PolarHBondContact OG-O 3.38Å; K185-A189 VanDerWaalsContact O-CB 3.27Å; K185-A189 WeakPolarHBondContact O-CB 3.33Å; K185-A189 PolarHBondContact O-N 3.34Å; C186-A189 PolarHBondContact O-N 3.44Å; A189-R224 VanDerWaalsContact C-NH1 3.3Å; A189-R224 PolarHBondContact O-NH1 3.16Å
190G98.3Very high97.7Very high0 Ų028.8 Ų28.80%017%0.169CC..THydrogen-bonded Turntrans162.7-20.3-169.200000117.3R164 C186 R224R164-G190 PolarHBondContact NE-O 2.64Å; R164-G190 PolarHBondContact NH2-O 3.42Å; C186-G190 PolarHBondContact O-N 2.94Å; C186-G190 VanDerWaalsContact O-N 3.1Å; G190-R224 VanDerWaalsContact N-NH2 3.13Å
191A98.8Very high97.5Very high0 Ų026 Ų260%015%0.152CC..  trans-69.1140.5-172.900000110.7V160 I172 V174 C186 I194V160-A191 HydrophobicContact CG1-CB 4.1Å; V160-A191 VanDerWaalsContact CG1-N 3.33Å; I172-A191 WeakPolarHBondContact O-CA 3.46Å; V174-A191 HydrophobicContact CG1-CB 3.85Å; V174-A191 HydrophobicContact CG2-CB 3.9Å; C186-A191 HydrophobicContact CB-CB 4.22Å; C186-A191 WeakPolarHBondContact O-CB 3.34Å; C186-A191 PolarHBondContact O-N 2.81Å; A191-I194 HydrophobicContact CB-CD1 4.1Å
192N98.8Very high97.3Very high0 Ų025 Ų250%014%0.144CC..  trans-129.1-12.417471-77.6000113Y3 S4 A5 K6 R164 D171 I172 V217 I221Y3-N192 HydrophobicContact CD2-CB 3.55Å; Y3-N192 HydrophobicContact CE2-CB 3.99Å; S4-N192 PolarHBondContact O-ND2 3.17Å; A5-N192 CarbonylContact C-O 3.38Å; A5-N192 WeakPolarHBondContact CA-O 3.33Å; K6-N192 PolarHBondContact N-O 3.03Å; R164-N192 PolarHBondContact NH2-OD1 3.01Å; D171-N192 WeakPolarHBondContact CA-OD1 3.44Å; D171-N192 PolarHBondContact OD1-ND2 3.39Å; I172-N192 PolarHBondContact N-OD1 3.21Å; I172-N192 PolarHBondContact O-N 3.5Å; N192-V217 HydrophobicContact CB-CG1 4.4Å; N192-I221 HydrophobicContact CB-CD1 4.01Å
193M98.8Very high97.1Very high5 Ų526 Ų263%0.02515%0.152CC..EExtended strand (participates in β ladder)trans-109.8132.7167.7-62.8-165.455.200108.6K6 Y33 M137 D171 I172 E173 V174K6-M193 HydrophobicContact CB-CG 4.24Å; K6-M193 HydrophobicContact CD-CE 4.15Å; K6-M193 HydrophobicContact CD-CG 4.28Å; K6-M193 HydrophobicContact CD-SD 4.16Å; K6-M193 WeakPolarHBondContact O-CA 3.34Å; Y33-M193 HydrophobicContact CD1-CE 4.15Å; Y33-M193 HydrophobicContact CE1-CE 3.63Å; Y33-M193 HydrophobicContact CE2-CE 4.1Å; M137-M193 HydrophobicContact CG-SD 3.96Å; M137-M193 HydrophobicContact SD-CE 3.63Å; M137-M193 HydrophobicContact SD-SD 3.56Å; D171-M193 HydrophobicContact CB-CG 4.37Å; D171-M193 HydrophobicContact CB-SD 3.86Å; I172-M193 PolarHBondContact O-N 3.31Å; E173-M193 VanDerWaalsContact CA-O 3.28Å; E173-M193 WeakPolarHBondContact CA-O 3.2Å; E173-M193 HydrophobicContact CB-CB 3.8Å; E173-M193 HydrophobicContact CG-CB 3.86Å; V174-M193 PolarHBondContact N-O 3.07Å
194I98.8Very high97Very high0 Ų034.4 Ų34.40%020%0.197CC..EExtended strand (participates in β ladder)trans-129.6116.2-169.1-53.3-63.6000109.5K6 I7 G8 Y33 V174 V178 I183 C186 A191 V217K6-I194 PolarHBondContact O-N 3.01Å; I7-I194 HydrophobicContact CD1-CB 3.68Å; I7-I194 HydrophobicContact CD1-CG1 3.78Å; I7-I194 HydrophobicContact CD1-CG2 4.32Å; G8-I194 PolarHBondContact N-O 3.36Å; Y33-I194 PolarHBondContact OH-N 2.76Å; V174-I194 HydrophobicContact CG2-CD1 3.84Å; V178-I194 HydrophobicContact CB-CG2 4.48Å; V178-I194 HydrophobicContact CG1-CG2 3.7Å; I183-I194 HydrophobicContact CD1-CB 4.41Å; I183-I194 HydrophobicContact CD1-CD1 3.57Å; I183-I194 HydrophobicContact CD1-CG1 3.78Å; I183-I194 HydrophobicContact CD1-CG2 3.77Å; C186-I194 HydrophobicContact CB-CD1 4.46Å; A191-I194 HydrophobicContact CB-CD1 4.1Å; I194-V217 HydrophobicContact CD1-CG2 3.78Å; I194-V217 HydrophobicContact CG1-CG2 3.64Å
195V98.6Very high97Very high0 Ų034 Ų340%020%0.198CC..EExtended strand (participates in β ladder)trans-92.1126.4169.6-177.10000109.7G8 H35 E173 V174 D175 V178G8-V195 VanDerWaalsContact O-CA 3.27Å; G8-V195 WeakPolarHBondContact O-CA 3.42Å; H35-V195 HydrophobicContact CB-CG1 4Å; H35-V195 HydrophobicContact CB-CG2 4.12Å; H35-V195 WeakPolarHBondContact ND1-CG2 3.46Å; E173-V195 HydrophobicContact CG-CG2 3.77Å; E173-V195 VanDerWaalsContact OE1-CG2 3.27Å; E173-V195 WeakPolarHBondContact OE1-CG2 3.48Å; V174-V195 WeakPolarHBondContact O-CB 3.3Å; V174-V195 PolarHBondContact O-N 2.79Å; D175-V195 HydrophobicContact CB-CB 3.78Å; D175-V195 HydrophobicContact CB-CG1 4.14Å; D175-V195 HydrophobicContact CB-CG2 4.1Å; D175-V195 WeakPolarHBondContact OD1-CG1 3.36Å; V178-V195 WeakPolarHBondContact CB-O 3.48Å
196S97.3Very high97Very high1 Ų130.9 Ų30.91%0.00719%0.185CC..EExtended strand (participates in β ladder)trans-140.1116.4177.2-169.30000110.5G8 P9 S10 V178G8-S196 PolarHBondContact O-N 3.31Å; P9-S196 VanDerWaalsContact CA-O 3.3Å; P9-S196 WeakPolarHBondContact CA-O 3.48Å; S10-S196 PolarHBondContact N-O 2.68Å; V178-S196 WeakPolarHBondContact O-CB 3.21Å; V178-S196 PolarHBondContact O-OG 3Å
197G94.1Very high97Very high13 Ų1336.8 Ų36.813%0.13421%0.207CC..SBendtrans-85.4-105.4179.300000112.2S10 A199 V200 V201S10-G197 WeakPolarHBondContact O-CA 3.46Å; G197-A199 VanDerWaalsContact C-N 3.25Å; G197-A199 PolarHBondContact O-N 3.26Å; G197-A199 VanDerWaalsContact O-N 3.11Å; G197-V200 PolarHBondContact O-N 3.23Å; G197-V201 WeakPolarHBondContact O-CG2 3.4Å; G197-V201 PolarHBondContact O-N 3.26Å
198S92.4Very high97Very high62 Ų6240 Ų4043%0.43423%0.229SC..Hα-helixtrans-52.9-34.7-173.358.50000115.2S13 V200 S202S13-S198 PolarHBondContact OG-N 3.2Å; S198-V200 PolarHBondContact O-N 3.2Å; S198-S202 WeakPolarHBondContact O-CB 3.46Å; S198-S202 PolarHBondContact O-N 2.61Å; S198-S202 PolarHBondContact O-OG 2.95Å
199A94.9Very high97Very high35 Ų3534.7 Ų34.729%0.28921%0.206SC..Hα-helixtrans-62.2-30.5179.100000113.2G197G197-A199 VanDerWaalsContact C-N 3.25Å; G197-A199 PolarHBondContact O-N 3.26Å; G197-A199 VanDerWaalsContact O-N 3.11Å
200V96.4Very high97Very high0 Ų034.2 Ų34.20%020%0.202CC..Hα-helixtrans-93.9-53.9175.2172.30000110.5P9 M26 G197 S198 S202 S203 P206 V209 I210 L213P9-V200 HydrophobicContact CB-CG1 4.27Å; P9-V200 HydrophobicContact CG-CG1 4.09Å; M26-V200 HydrophobicContact SD-CG1 3.83Å; G197-V200 PolarHBondContact O-N 3.23Å; S198-V200 PolarHBondContact O-N 3.2Å; V200-S202 PolarHBondContact O-N 2.81Å; V200-S203 VanDerWaalsContact O-CB 3.32Å; V200-S203 WeakPolarHBondContact O-CB 3.45Å; V200-S203 PolarHBondContact O-N 3.11Å; V200-P206 HydrophobicContact CG1-CB 4.08Å; V200-V209 HydrophobicContact CG2-CB 4.38Å; V200-V209 HydrophobicContact CG2-CG1 3.74Å; V200-I210 HydrophobicContact CG1-CD1 3.8Å; V200-I210 HydrophobicContact CG1-CG1 3.65Å; V200-I210 HydrophobicContact CG2-CG1 4.18Å; V200-L213 HydrophobicContact CG2-CD1 3.85Å
201V93.5Very high97Very high9 Ų937.4 Ų37.46%0.05522%0.222CC..Hα-helixtrans-65.4-38.9-168.9175.90000112.1P9 R25 M26 G197 S203P9-V201 HydrophobicContact CB-CG2 4.5Å; R25-V201 PolarHBondContact NH2-O 3.07Å; M26-V201 HydrophobicContact SD-CG2 4.23Å; G197-V201 WeakPolarHBondContact O-CG2 3.4Å; G197-V201 PolarHBondContact O-N 3.26Å; V201-S203 VanDerWaalsContact C-N 3.32Å
202S93.3Very high97Very high82 Ų8240.3 Ų40.357%0.57324%0.236SC*.THydrogen-bonded Turntrans-88.44.5-179.1-46.90000113.6S198 V200S198-S202 WeakPolarHBondContact O-CB 3.46Å; S198-S202 PolarHBondContact O-N 2.61Å; S198-S202 PolarHBondContact O-OG 2.95Å; V200-S202 PolarHBondContact O-N 2.81Å
203S95.9Very high97Very high34 Ų3440.3 Ų40.324%0.23824%0.236CC..  trans-77.8143177.1-172.70000111.5V200 V201 D205 P206 V209V200-S203 VanDerWaalsContact O-CB 3.32Å; V200-S203 WeakPolarHBondContact O-CB 3.45Å; V200-S203 PolarHBondContact O-N 3.11Å; V201-S203 VanDerWaalsContact C-N 3.32Å; S203-D205 PolarHBondContact O-N 3Å; S203-D205 PolarHBondContact OG-N 3.13Å; S203-D205 PolarHBondContact OG-O 2.87Å; S203-P206 WeakPolarHBondContact O-CD 3.46Å; S203-V209 WeakPolarHBondContact OG-CG2 3.33Å
204D96.3Very high97Very high176 Ų17642.6 Ų42.694%0.94124%0.244SC*.SBendtrans-65.9-22.7168.8-64.6-33.9000112.1
205D97.9Very high97Very high85 Ų8545.7 Ų45.746%0.45526%0.263SS..  trans-134.478175.1-173.5-4.6000111.5S203 R207 S208 V209S203-D205 PolarHBondContact O-N 3Å; S203-D205 PolarHBondContact OG-N 3.13Å; S203-D205 PolarHBondContact OG-O 2.87Å; D205-R207 PolarHBondContact O-N 2.61Å; D205-R207 PolarHBondContact OD1-N 3.13Å; D205-S208 PolarHBondContact O-N 2.77Å; D205-S208 PolarHBondContact OD1-N 3.25Å; D205-S208 WeakPolarHBondContact OD2-CB 3.39Å; D205-V209 PolarHBondContact O-N 3.12Å
206P98.2Very high97Very high7 Ų746 Ų465%0.04527%0.266CS..Hα-helixtrans-60.6-31.9179.8-18.327.6000112.9M26 C29 V200 S203 S208 V209 I210M26-P206 HydrophobicContact CE-CB 3.95Å; M26-P206 HydrophobicContact CE-CG 4.01Å; M26-P206 HydrophobicContact SD-CB 4.5Å; C29-P206 HydrophobicContact CB-CB 4.24Å; V200-P206 HydrophobicContact CG1-CB 4.08Å; S203-P206 WeakPolarHBondContact O-CD 3.46Å; P206-S208 PolarHBondContact O-N 3.47Å; P206-V209 PolarHBondContact O-N 3.23Å; P206-I210 WeakPolarHBondContact O-CB 3.44Å; P206-I210 VanDerWaalsContact O-CG1 3.23Å; P206-I210 WeakPolarHBondContact O-CG1 3.38Å; P206-I210 PolarHBondContact O-N 2.67Å
207R98.7Very high97.1Very high125 Ų12546 Ų4647%0.47227%0.266SS..Hα-helixtrans-61.9-45.7178.8178.8-176.5-57.6-734.6110.6E28 C29 D205 T211E28-R207 PolarHBondContact O-NH1 2.92Å; E28-R207 PolarHBondContact O-NH2 3.11Å; C29-R207 HydrophobicContact CB-CB 4.16Å; C29-R207 WeakPolarHBondContact O-CA 3.45Å; C29-R207 WeakPolarHBondContact O-CG 3.43Å; C29-R207 PolarHBondContact O-NH1 2.91Å; D205-R207 PolarHBondContact O-N 2.61Å; D205-R207 PolarHBondContact OD1-N 3.13Å; R207-T211 VanDerWaalsContact O-CB 3.32Å; R207-T211 WeakPolarHBondContact O-CB 3.4Å; R207-T211 PolarHBondContact O-N 3.17Å; R207-T211 PolarHBondContact O-OG1 3.45Å
208S98.6Very high97.3Very high67 Ų6747.3 Ų47.347%0.46927%0.273SS..Hα-helixtrans-62.2-44.5177179.60000111.6D205 P206 T211 M212D205-S208 PolarHBondContact O-N 2.77Å; D205-S208 PolarHBondContact OD1-N 3.25Å; D205-S208 WeakPolarHBondContact OD2-CB 3.39Å; P206-S208 PolarHBondContact O-N 3.47Å; S208-T211 PolarHBondContact O-N 2.54Å; S208-M212 WeakPolarHBondContact O-CB 3.41Å; S208-M212 PolarHBondContact O-N 3.2Å
209V98.6Very high97.5Very high18 Ų1848.6 Ų48.611%0.10927%0.272CS..Hα-helixtrans-62.1-50.2177.2-176.70000111.3P180 V200 S203 D205 P206 T211 M212 L213P180-V209 HydrophobicContact CG-CG1 4.41Å; V200-V209 HydrophobicContact CG2-CB 4.38Å; V200-V209 HydrophobicContact CG2-CG1 3.74Å; S203-V209 WeakPolarHBondContact OG-CG2 3.33Å; D205-V209 PolarHBondContact O-N 3.12Å; P206-V209 PolarHBondContact O-N 3.23Å; V209-T211 VanDerWaalsContact C-N 3.27Å; V209-T211 PolarHBondContact O-N 3.08Å; V209-M212 HydrophobicContact CG1-CE 4.26Å; V209-M212 PolarHBondContact O-N 3.36Å; V209-L213 HydrophobicContact CG1-CD1 4.22Å; V209-L213 HydrophobicContact CG1-CG 4.35Å; V209-L213 WeakPolarHBondContact O-CG 3.23Å; V209-L213 PolarHBondContact O-N 3.03Å
210I98.8Very high97.6Very high0 Ų047.4 Ų47.40%026%0.262CS..Hα-helixtrans-56.5-44177.5-71.9166.6000110.7I7 P9 C29 G30 A31 V200 P206 L213 R214I7-I210 HydrophobicContact CB-CG2 4.13Å; I7-I210 HydrophobicContact CG1-CG2 4.36Å; I7-I210 HydrophobicContact CG2-CG1 4.27Å; I7-I210 HydrophobicContact CG2-CG2 4.15Å; P9-I210 HydrophobicContact CG-CD1 4.21Å; C29-I210 HydrophobicContact CB-CD1 4.07Å; G30-I210 WeakPolarHBondContact O-CG2 3.46Å; A31-I210 HydrophobicContact CB-CD1 4.45Å; V200-I210 HydrophobicContact CG1-CD1 3.8Å; V200-I210 HydrophobicContact CG1-CG1 3.65Å; V200-I210 HydrophobicContact CG2-CG1 4.18Å; P206-I210 WeakPolarHBondContact O-CB 3.44Å; P206-I210 VanDerWaalsContact O-CG1 3.23Å; P206-I210 WeakPolarHBondContact O-CG1 3.38Å; P206-I210 PolarHBondContact O-N 2.67Å; I210-L213 PolarHBondContact O-N 3.3Å; I210-R214 WeakPolarHBondContact O-CB 3.27Å; I210-R214 PolarHBondContact O-N 3.16Å
211T98.8Very high97.6Very high67 Ų6748.2 Ų48.241%0.41127%0.266SS..Hα-helixtrans-62.6-45.8178.4-59.10000111.4R207 S208 V209 R214 T215R207-T211 VanDerWaalsContact O-CB 3.32Å; R207-T211 WeakPolarHBondContact O-CB 3.4Å; R207-T211 PolarHBondContact O-N 3.17Å; R207-T211 PolarHBondContact O-OG1 3.45Å; S208-T211 PolarHBondContact O-N 2.54Å; V209-T211 VanDerWaalsContact C-N 3.27Å; V209-T211 PolarHBondContact O-N 3.08Å; T211-R214 PolarHBondContact O-N 2.7Å; T211-T215 WeakPolarHBondContact O-CB 3.47Å; T211-T215 PolarHBondContact O-N 2.7Å; T211-T215 PolarHBondContact O-OG1 3.46Å
212M98.7Very high97.7Very high61 Ų6153.8 Ų53.830%0.329%0.292SS..Hα-helixtrans-62.3-44.3178.2173.8-76.1-5500111.7P180 I183 S208 V209 R214 T215 A216P180-M212 HydrophobicContact CB-CE 3.44Å; P180-M212 VanDerWaalsContact CB-CE 3.44Å; P180-M212 HydrophobicContact CB-SD 4.29Å; P180-M212 HydrophobicContact CG-CE 3.42Å; P180-M212 VanDerWaalsContact CG-CE 3.42Å; I183-M212 HydrophobicContact CG2-SD 4.14Å; S208-M212 WeakPolarHBondContact O-CB 3.41Å; S208-M212 PolarHBondContact O-N 3.2Å; V209-M212 HydrophobicContact CG1-CE 4.26Å; V209-M212 PolarHBondContact O-N 3.36Å; M212-R214 VanDerWaalsContact C-N 3.34Å; M212-R214 PolarHBondContact O-N 3.29Å; M212-T215 PolarHBondContact O-N 3.16Å; M212-A216 PolarHBondContact O-N 3.01Å
213L98.8Very high97.6Very high0 Ų055.7 Ų55.70%029%0.29CS..Hα-helixtrans-59.9-46.2176.4-64176.2000111I7 I183 V200 V209 I210 T215 A216 V217I7-L213 HydrophobicContact CD1-CB 3.72Å; I7-L213 HydrophobicContact CG1-CB 4.28Å; I7-L213 HydrophobicContact CG2-CD1 4.2Å; I183-L213 HydrophobicContact CB-CD2 3.62Å; I183-L213 HydrophobicContact CD1-CD2 4.09Å; I183-L213 HydrophobicContact CG1-CB 4.38Å; I183-L213 HydrophobicContact CG1-CD2 3.72Å; I183-L213 HydrophobicContact CG2-CD2 3.99Å; V200-L213 HydrophobicContact CG2-CD1 3.85Å; V209-L213 HydrophobicContact CG1-CD1 4.22Å; V209-L213 HydrophobicContact CG1-CG 4.35Å; V209-L213 WeakPolarHBondContact O-CG 3.23Å; V209-L213 PolarHBondContact O-N 3.03Å; I210-L213 PolarHBondContact O-N 3.3Å; L213-T215 PolarHBondContact O-N 3.05Å; L213-A216 PolarHBondContact O-N 3.2Å; L213-V217 WeakPolarHBondContact O-CG2 3.47Å; L213-V217 PolarHBondContact O-N 2.68Å
214R98.8Very high97.4Very high53 Ų5356.4 Ų56.420%0.229%0.287CS..Hα-helixtrans-62.2-41.9178.8-171.2178.7-62.599.54.1112.3A5 I7 G30 D32 I210 T211 M212 V217 S218A5-R214 HydrophobicContact CB-CG 3.9Å; I7-R214 HydrophobicContact CD1-CB 4.26Å; I7-R214 HydrophobicContact CG1-CB 3.83Å; G30-R214 PolarHBondContact O-NH2 3.02Å; D32-R214 IonicContact OD1-NE 3.74Å; D32-R214 IonicContact OD1-NH2 3.75Å; D32-R214 IonicContact OD2-CZ 3.52Å; D32-R214 IonicContact OD2-NE 2.72Å; D32-R214 PolarHBondContact OD2-NE 3.02Å; D32-R214 IonicContact OD2-NH2 2.73Å; D32-R214 PolarHBondContact OD2-NH2 3.26Å; I210-R214 WeakPolarHBondContact O-CB 3.27Å; I210-R214 PolarHBondContact O-N 3.16Å; T211-R214 PolarHBondContact O-N 2.7Å; M212-R214 VanDerWaalsContact C-N 3.34Å; M212-R214 PolarHBondContact O-N 3.29Å; R214-V217 PolarHBondContact O-N 2.91Å; R214-S218 WeakPolarHBondContact O-CB 3.4Å; R214-S218 PolarHBondContact O-N 3.43Å; R214-S218 PolarHBondContact O-OG 2.66Å
215T98.6Very high96.8Very high65 Ų6550.4 Ų50.440%0.39926%0.259SS..Hα-helixtrans-63-48178.5-63.90000110.9T211 M212 L213 V217 S218 E219T211-T215 WeakPolarHBondContact O-CB 3.47Å; T211-T215 PolarHBondContact O-N 2.7Å; T211-T215 PolarHBondContact O-OG1 3.46Å; M212-T215 PolarHBondContact O-N 3.16Å; L213-T215 PolarHBondContact O-N 3.05Å; T215-V217 VanDerWaalsContact C-N 3.29Å; T215-V217 PolarHBondContact O-N 2.63Å; T215-S218 PolarHBondContact O-N 3.34Å; T215-S218 VanDerWaalsContact O-N 3.11Å; T215-E219 HydrophobicContact CG2-CG 4.31Å; T215-E219 WeakPolarHBondContact O-CG 3.19Å; T215-E219 PolarHBondContact O-N 2.98Å
216A98.5Very high96Very high6 Ų653.1 Ų53.15%0.0527%0.273CS..Hα-helixtrans-56.9-42.4178.800000112.4I183 M212 L213 A220I183-A216 HydrophobicContact CG1-CB 3.95Å; I183-A216 HydrophobicContact CG2-CB 3.95Å; M212-A216 PolarHBondContact O-N 3.01Å; L213-A216 PolarHBondContact O-N 3.2Å; A216-A220 PolarHBondContact O-N 3.34Å
217V98.6Very high95Very high1 Ų159.4 Ų59.41%0.00631%0.306CS..Hα-helixtrans-67.4-45.7175.5178.60000111.4A5 I183 A187 N192 I194 L213 R214 T215 E219 A220 I221A5-V217 HydrophobicContact CB-CB 3.75Å; A5-V217 HydrophobicContact CB-CG1 3.52Å; I183-V217 HydrophobicContact CD1-CG2 3.83Å; I183-V217 HydrophobicContact CG1-CG2 4.29Å; A187-V217 HydrophobicContact CB-CB 4.48Å; A187-V217 HydrophobicContact CB-CG2 4.07Å; N192-V217 HydrophobicContact CB-CG1 4.4Å; I194-V217 HydrophobicContact CD1-CG2 3.78Å; I194-V217 HydrophobicContact CG1-CG2 3.64Å; L213-V217 WeakPolarHBondContact O-CG2 3.47Å; L213-V217 PolarHBondContact O-N 2.68Å; R214-V217 PolarHBondContact O-N 2.91Å; T215-V217 VanDerWaalsContact C-N 3.29Å; T215-V217 PolarHBondContact O-N 2.63Å; V217-E219 VanDerWaalsContact C-N 3.33Å; V217-E219 PolarHBondContact O-N 2.94Å; V217-A220 PolarHBondContact O-N 2.89Å; V217-I221 HydrophobicContact CG1-CD1 3.83Å; V217-I221 HydrophobicContact CG1-CG1 4.32Å; V217-I221 VanDerWaalsContact O-CG1 3.31Å; V217-I221 WeakPolarHBondContact O-CG1 3.18Å; V217-I221 PolarHBondContact O-N 2.83Å
218S98.3Very high93.3Very high40 Ų4063.1 Ų63.128%0.2832%0.32SS..Hα-helixtrans-61.3-41.6-178.7-600000112A5 R214 T215 I221 Q222A5-S218 WeakPolarHBondContact CB-OG 3.5Å; R214-S218 WeakPolarHBondContact O-CB 3.4Å; R214-S218 PolarHBondContact O-N 3.43Å; R214-S218 PolarHBondContact O-OG 2.66Å; T215-S218 PolarHBondContact O-N 3.34Å; T215-S218 VanDerWaalsContact O-N 3.11Å; S218-I221 PolarHBondContact O-N 3.34Å; S218-Q222 WeakPolarHBondContact O-CG 3.39Å; S218-Q222 PolarHBondContact O-N 2.77Å
219E97.8Very high93.1Very high89 Ų8963 Ų6342%0.41631%0.313SS..Hα-helixtrans-61.9-43174.8-72.3178.1176.100111.8T215 V217 Q222 K223T215-E219 HydrophobicContact CG2-CG 4.31Å; T215-E219 WeakPolarHBondContact O-CG 3.19Å; T215-E219 PolarHBondContact O-N 2.98Å; V217-E219 VanDerWaalsContact C-N 3.33Å; V217-E219 PolarHBondContact O-N 2.94Å; E219-Q222 PolarHBondContact O-N 3.29Å; E219-K223 WeakPolarHBondContact O-CG 3.26Å; E219-K223 PolarHBondContact O-N 2.89Å
220A97.1Very high92.8Very high10 Ų1065.3 Ų65.38%0.08332%0.323CS..Hα-helixtrans-67.5-34.5177.500000112.7A187 A216 V217 R224A187-A220 HydrophobicContact CB-CB 3.85Å; A187-A220 WeakPolarHBondContact O-CB 3.19Å; A216-A220 PolarHBondContact O-N 3.34Å; V217-A220 PolarHBondContact O-N 2.89Å; A220-R224 PolarHBondContact O-N 3.4Å
221I96.2Very high92.4Very high18 Ų1868.9 Ų68.99%0.09234%0.341CS..Hα-helixtrans-65.7-42.9173-67.6173.8000110.9Y3 A5 N192 V217 S218 R224 S225Y3-I221 HydrophobicContact CD2-CD1 3.95Å; Y3-I221 HydrophobicContact CD2-CG1 4.39Å; Y3-I221 HydrophobicContact CE2-CD1 3.91Å; Y3-I221 HydrophobicContact CE2-CG1 3.83Å; Y3-I221 HydrophobicContact CE2-CG2 4.34Å; A5-I221 HydrophobicContact CB-CD1 4.46Å; N192-I221 HydrophobicContact CB-CD1 4.01Å; V217-I221 HydrophobicContact CG1-CD1 3.83Å; V217-I221 HydrophobicContact CG1-CG1 4.32Å; V217-I221 VanDerWaalsContact O-CG1 3.31Å; V217-I221 WeakPolarHBondContact O-CG1 3.18Å; V217-I221 PolarHBondContact O-N 2.83Å; S218-I221 PolarHBondContact O-N 3.34Å; I221-R224 PolarHBondContact O-N 2.92Å; I221-S225 PolarHBondContact O-N 2.89Å; I221-S225 VanDerWaalsContact O-N 3.12Å; I221-S225 PolarHBondContact O-OG 2.69Å
222Q94.6Very high92.1Very high126 Ų12669.1 Ų69.159%0.58934%0.337SS*.Hα-helixtrans-63.5-48.1177.8-74.61754.400111.5S218 E219 R224 S225 L226S218-Q222 WeakPolarHBondContact O-CG 3.39Å; S218-Q222 PolarHBondContact O-N 2.77Å; E219-Q222 PolarHBondContact O-N 3.29Å; Q222-R224 VanDerWaalsContact C-N 3.33Å; Q222-R224 PolarHBondContact O-N 3.47Å; Q222-S225 WeakPolarHBondContact O-CB 3.5Å; Q222-S225 PolarHBondContact O-N 3.4Å; Q222-L226 PolarHBondContact O-N 2.89Å
223K93Very high91.6Very high121 Ų12169.6 Ų69.653%0.52634%0.34SS..Hα-helixtrans-52.8-49.6175.7-72.9172.1-175.4173.90111.5E219 S225 L226 D227E219-K223 WeakPolarHBondContact O-CG 3.26Å; E219-K223 PolarHBondContact O-N 2.89Å; K223-S225 PolarHBondContact O-N 2.73Å; K223-L226 WeakPolarHBondContact O-CB 3.45Å; K223-L226 PolarHBondContact O-N 2.86Å; K223-D227 PolarHBondContact O-N 2.98Å
224R89.8Confident91.2Very high49 Ų4974.2 Ų74.219%0.18536%0.362CS..Hα-helixtrans-64.7-22.6177.7-78.7-168.5-93.7-152.51.2115.5M1 A187 E188 A189 G190 A220 I221 Q222M1-R224 HydrophobicContact CE-CB 3.78Å; A187-R224 PolarHBondContact O-NH2 2.92Å; E188-R224 PolarHBondContact O-NH1 2.91Å; A189-R224 VanDerWaalsContact C-NH1 3.3Å; A189-R224 PolarHBondContact O-NH1 3.16Å; G190-R224 VanDerWaalsContact N-NH2 3.13Å; A220-R224 PolarHBondContact O-N 3.4Å; I221-R224 PolarHBondContact O-N 2.92Å; Q222-R224 VanDerWaalsContact C-N 3.33Å; Q222-R224 PolarHBondContact O-N 3.47Å
225S84Confident90.6Very high50 Ų5075.7 Ų75.735%0.3537%0.374SS..Hα-helixtrans-80.4-23.6175.6-58.10000112M1 I221 Q222 K223M1-S225 WeakPolarHBondContact CG-OG 3.46Å; I221-S225 PolarHBondContact O-N 2.89Å; I221-S225 VanDerWaalsContact O-N 3.12Å; I221-S225 PolarHBondContact O-OG 2.69Å; Q222-S225 WeakPolarHBondContact O-CB 3.5Å; Q222-S225 PolarHBondContact O-N 3.4Å; K223-S225 PolarHBondContact O-N 2.73Å
226L82.7Confident90Very high143 Ų14376.5 Ų76.575%0.74937%0.372SS*.Hα-helixtrans-85-27.9177.5-65.9168.3000112.8Q222 K223 R228Q222-L226 PolarHBondContact O-N 2.89Å; K223-L226 WeakPolarHBondContact O-CB 3.45Å; K223-L226 PolarHBondContact O-N 2.86Å; L226-R228 PolarHBondContact O-N 2.8Å
227D76.8Confident89.3Confident139 Ų13982.4 Ų82.474%0.74340%0.399SS*.  trans-80.44.7180-63.4-28000114.1K223K223-D227 PolarHBondContact O-N 2.98Å
228R62.8Low88.5Confident203 Ų20389.8 Ų89.877%0.76643%0.434SS*.  trans-108.10178.4-72.3-175.4-178.8-171.22.5111.5L226L226-R228 PolarHBondContact O-N 2.8Å

Retrieved 228 of 228 residues in 1658.9 ms (Link to these results)

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