A0A096N315_PAPAN Loading...

Muscle RAS onco homolog

AlphaFold DB (O14807), UniProt , Accession A0A096N315, Species PAPAN (Papio anubis, Olive baboon), Gene MRAS, Length 208 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
1M38.5Very low60.4Low239 Ų239106.5 Ų106.5100%1.17766%0.66SS**  0120.10-69.2175.9-176.500106.9T3M1-T3 PolarHBondContact O-N 3.47Å; M1-T3 VanDerWaalsContact O-N 3.16Å
2A44.7Very low63.3Low105 Ų105101.6 Ų101.687%0.86863%0.631SS**  trans-68.5111.2-178.800000108.7S4A2-S4 PolarHBondContact O-N 3.46Å; A2-S4 VanDerWaalsContact O-N 3.11Å
3T50.3Low65.8Low132 Ų13298.8 Ų98.881%0.8161%0.613SS**  trans-64.6107.3163.949.70000106.1M1 A5M1-T3 PolarHBondContact O-N 3.47Å; M1-T3 VanDerWaalsContact O-N 3.16Å; T3-A5 PolarHBondContact O-N 3.23Å
4S56.7Low68.1Low70 Ų7092.9 Ų92.949%0.4957%0.574SS.*  trans-60.8105.8171.142.40000106.9A2 V6A2-S4 PolarHBondContact O-N 3.46Å; A2-S4 VanDerWaalsContact O-N 3.11Å; S4-V6 PolarHBondContact O-N 3.34Å
5A59.2Low70.1Confident88 Ų8892.9 Ų92.973%0.72756%0.563SS**  trans-57.6115.5173.100000106.8T3 P7T3-A5 PolarHBondContact O-N 3.23Å; A5-P7 VanDerWaalsContact O-CD 3.23Å; A5-P7 WeakPolarHBondContact O-CD 3.39Å; A5-P7 VanDerWaalsContact O-N 3.07Å
6V59.4Low71.8Confident72 Ų7287.1 Ų87.144%0.43653%0.528SS..  trans-54.7117.7174.4-178.50000106.3S4 S8 L11 W60S4-V6 PolarHBondContact O-N 3.34Å; V6-S8 PolarHBondContact O-N 3.01Å; V6-L11 HydrophobicContact CG1-CD1 4.19Å; V6-W60 HydrophobicContact CG1-CE3 4.24Å; V6-W60 HydrophobicContact CG1-CZ3 4.37Å; V6-W60 HydrophobicContact CG2-CE3 4.5Å; V6-W60 HydrophobicContact CG2-CH2 3.7Å; V6-W60 HydrophobicContact CG2-CZ2 4.15Å; V6-W60 HydrophobicContact CG2-CZ3 3.9Å
7P57.7Low73.4Confident57 Ų5782.2 Ų82.237%0.3750%0.498SS..  trans-61.1125.2-178-21.832.6000109.3A5 D9 L11 W60A5-P7 VanDerWaalsContact O-CD 3.23Å; A5-P7 WeakPolarHBondContact O-CD 3.39Å; A5-P7 VanDerWaalsContact O-N 3.07Å; P7-D9 PolarHBondContact O-N 3.43Å; P7-D9 VanDerWaalsContact O-N 3.16Å; P7-L11 HydrophobicContact CB-CD2 4.42Å; P7-W60 HydrophobicContact CG-CG 4.42Å
8S60.9Low74.8Confident125 Ų12577.7 Ų77.787%0.87447%0.471SS*.  trans-69.2-3.6175.949.40000113.6V6V6-S8 PolarHBondContact O-N 3.01Å
9D64.7Low76Confident98 Ų9873.6 Ų73.652%0.52445%0.446SS..SBendtrans-89.3114.4-176.8-73.9-9.5000111.7P7 L11 K191P7-D9 PolarHBondContact O-N 3.43Å; P7-D9 VanDerWaalsContact O-N 3.16Å; D9-L11 VanDerWaalsContact C-N 3.34Å; D9-L11 PolarHBondContact O-N 3.46Å; D9-K191 IonicContact OD2-NZ 2.9Å; D9-K191 PolarHBondContact OD2-NZ 3.36Å
10N82.7Confident77.1Confident161 Ų16170 Ų7086%0.86142%0.424SS*.  trans17.763.8158.3-153.219.3000116.2
11L90Very high78Confident24 Ų2467.9 Ų67.913%0.12641%0.41CS..PPolyproline II helixtrans-64.7143.9-178.3-67.9177.2000110.5V6 P7 D9 T13 W60 I62V6-L11 HydrophobicContact CG1-CD1 4.19Å; P7-L11 HydrophobicContact CB-CD2 4.42Å; D9-L11 VanDerWaalsContact C-N 3.34Å; D9-L11 PolarHBondContact O-N 3.46Å; L11-T13 PolarHBondContact O-N 3.16Å; L11-W60 HydrophobicContact CD1-CB 4.15Å; L11-W60 HydrophobicContact CD2-CB 3.56Å; L11-I62 HydrophobicContact CB-CD1 4.15Å; L11-I62 HydrophobicContact CB-CG1 4.01Å; L11-I62 HydrophobicContact CD1-CG1 4.27Å
12P94.4Very high80.7Confident48 Ų4857.5 Ų57.531%0.31237%0.365SS..PPolyproline II helixtrans-59127.3170.926.5-32.7000109.5Y14 A61 I62P12-Y14 HydrophobicContact CB-CE2 4.18Å; P12-Y14 HydrophobicContact CG-CE2 4.36Å; P12-A61 HydrophobicContact CG-CB 4.3Å; P12-A61 WeakPolarHBondContact O-CA 3.37Å; P12-I62 PolarHBondContact O-N 2.84Å
13T95.9Very high83.1Confident65 Ų6553.7 Ų53.740%0.39934%0.336SS..EExtended strand (participates in β ladder)trans-100.4134.2173.6-56.20000108.8L11 I62 D64L11-T13 PolarHBondContact O-N 3.16Å; T13-I62 CarbonylContact C-O 3.52Å; T13-I62 VanDerWaalsContact CA-O 3.29Å; T13-I62 WeakPolarHBondContact CA-O 3.33Å; T13-I62 HydrophobicContact CG2-CB 4.15Å; T13-I62 HydrophobicContact CG2-CG2 4.1Å; T13-D64 HydrophobicContact CG2-CB 4.07Å
14Y97.8Very high85.3Confident17 Ų1747.4 Ų47.47%0.06730%0.298CS..EExtended strand (participates in β ladder)trans-119.4119.6176-59.3-73.9000109.3P12 L16 A61 I62 L63 D64 V172 I175 R176P12-Y14 HydrophobicContact CB-CE2 4.18Å; P12-Y14 HydrophobicContact CG-CE2 4.36Å; Y14-L16 PolarHBondContact O-N 2.97Å; Y14-A61 HydrophobicContact CD2-CB 3.8Å; Y14-A61 HydrophobicContact CE2-CB 3.59Å; Y14-I62 PolarHBondContact N-O 2.95Å; Y14-L63 HydrophobicContact CD2-CD2 4.07Å; Y14-D64 PolarHBondContact O-N 3.2Å; Y14-V172 HydrophobicContact CD2-CG1 3.77Å; Y14-V172 HydrophobicContact CD2-CG2 4.33Å; Y14-V172 HydrophobicContact CE2-CG1 3.62Å; Y14-V172 HydrophobicContact CG-CG1 4.37Å; Y14-I175 HydrophobicContact CD1-CB 4.43Å; Y14-I175 HydrophobicContact CD1-CD1 4.33Å; Y14-I175 HydrophobicContact CD1-CG2 3.75Å; Y14-I175 HydrophobicContact CE1-CG2 3.83Å; Y14-R176 HydrophobicContact CE1-CG 4.46Å; Y14-R176 WeakPolarHBondContact OH-CG 3.5Å; Y14-R176 PolarHBondContact OH-NE 3.48Å; Y14-R176 VanDerWaalsContact OH-NE 3.12Å
15K97.9Very high87.2Confident92 Ų9244.6 Ų44.640%0.428%0.28SS..EExtended strand (participates in β ladder)trans-8599.3176.9-63.7-172174.8-167.90110.3D64 G85 D86 G87K15-D64 CarbonylContact C-O 3.43Å; K15-D64 VanDerWaalsContact CA-O 3.27Å; K15-D64 WeakPolarHBondContact CA-O 3.37Å; K15-D64 HydrophobicContact CG-CB 4.18Å; K15-G85 CarbonylContact O-C 3.51Å; K15-D86 PolarHBondContact N-OD2 3.3Å; K15-D86 PolarHBondContact O-N 3.36Å; K15-G87 PolarHBondContact O-N 3Å
16L98.7Very high89Confident1 Ų140.8 Ų40.81%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-96.4130.3-179.3-46.6-174.4000109.2Y14 L63 D64 V65 L66 F168 L171 V172 I175Y14-L16 PolarHBondContact O-N 2.97Å; L16-L63 HydrophobicContact CD1-CB 4.44Å; L16-L63 HydrophobicContact CD1-CD1 4.16Å; L16-L63 HydrophobicContact CD1-CD2 4.14Å; L16-L63 HydrophobicContact CD1-CG 4.47Å; L16-D64 PolarHBondContact N-O 2.9Å; L16-V65 HydrophobicContact CB-CG2 4.22Å; L16-V65 HydrophobicContact CD1-CG2 4.24Å; L16-V65 HydrophobicContact CG-CG2 4.48Å; L16-V65 CarbonylContact O-C 2.98Å; L16-V65 WeakPolarHBondContact O-CA 3.47Å; L16-L66 PolarHBondContact O-N 3.16Å; L16-F168 HydrophobicContact CD1-CD1 4.12Å; L16-L171 HydrophobicContact CB-CD2 4.1Å; L16-L171 HydrophobicContact CD1-CD2 4.3Å; L16-L171 HydrophobicContact CD2-CD2 3.85Å; L16-L171 HydrophobicContact CD2-CG 4.08Å; L16-L171 HydrophobicContact CG-CD2 4.3Å; L16-V172 HydrophobicContact CD1-CG2 4.13Å; L16-V172 HydrophobicContact CD2-CG2 4.38Å; L16-I175 HydrophobicContact CD2-CD1 3.46Å; L16-I175 VanDerWaalsContact CD2-CD1 3.46Å
17V98.4Very high90.8Very high4 Ų438.3 Ų38.32%0.02423%0.233CC..EExtended strand (participates in β ladder)trans-115.4128.1179.4-173.60000109.7V19 L66 T68 G87 F88 L89V17-V19 HydrophobicContact CG1-CG1 3.85Å; V17-L66 HydrophobicContact CG1-CD2 4.38Å; V17-L66 HydrophobicContact CG2-CB 4.45Å; V17-T68 HydrophobicContact CG1-CG2 3.6Å; V17-G87 PolarHBondContact N-O 3.06Å; V17-F88 HydrophobicContact CB-CD1 3.67Å; V17-F88 HydrophobicContact CB-CE1 3.67Å; V17-F88 HydrophobicContact CG1-CD1 4.24Å; V17-F88 HydrophobicContact CG1-CE1 4.17Å; V17-F88 HydrophobicContact CG2-CD1 4.44Å; V17-F88 HydrophobicContact CG2-CE1 3.98Å; V17-F88 VanDerWaalsContact O-CA 3.3Å; V17-F88 WeakPolarHBondContact O-CA 3.33Å; V17-L89 PolarHBondContact O-N 3.16Å
18V98.6Very high92.6Very high0 Ų036.5 Ų36.50%022%0.223CC..EExtended strand (participates in β ladder)trans-96.8119.2178.2-167.80000108.8K26 V65 L66 T68 L89 V91 F168V18-K26 HydrophobicContact CG1-CB 3.71Å; V18-K26 HydrophobicContact CG1-CD 4.19Å; V18-K26 HydrophobicContact CG1-CG 3.89Å; V18-V65 HydrophobicContact CG2-CG1 3.98Å; V18-L66 PolarHBondContact N-O 3.24Å; V18-T68 PolarHBondContact O-OG1 2.85Å; V18-L89 HydrophobicContact CG1-CB 4.34Å; V18-L89 HydrophobicContact CG2-CD1 4.28Å; V18-V91 HydrophobicContact CG1-CG2 3.6Å; V18-F168 HydrophobicContact CG2-CE1 4.02Å; V18-F168 HydrophobicContact CG2-CZ 4.3Å
19V98Very high94.4Very high1 Ų130.8 Ų30.81%0.00618%0.182CC..EExtended strand (participates in β ladder)trans-128.6162.2-176.7-56.70000111.2V17 K26 M82 F88 L89 I90 V91 F106 I110V17-V19 HydrophobicContact CG1-CG1 3.85Å; V19-K26 VanDerWaalsContact C-CD 3.5Å; V19-M82 HydrophobicContact CB-CE 4.36Å; V19-M82 HydrophobicContact CG1-CE 3.91Å; V19-F88 HydrophobicContact CG1-CD1 4.38Å; V19-L89 PolarHBondContact N-O 2.93Å; V19-I90 HydrophobicContact CG2-CB 4.45Å; V19-I90 HydrophobicContact CG2-CG1 4.02Å; V19-V91 PolarHBondContact O-N 2.99Å; V19-F106 HydrophobicContact CB-CD1 4.03Å; V19-F106 HydrophobicContact CB-CE1 4.23Å; V19-F106 HydrophobicContact CG2-CD1 3.99Å; V19-F106 HydrophobicContact CG2-CG 4.42Å; V19-I110 HydrophobicContact CG2-CD1 4.22Å
20G97.6Very high96Very high1 Ų126.1 Ų26.11%0.0116%0.157CC..  trans140.1167.2-17400000111.3K26 G70 V91 F106G20-K26 WeakPolarHBondContact O-CE 3.12Å; G20-K26 PolarHBondContact O-NZ 2.47Å; G20-G70 WeakPolarHBondContact O-CA 3.17Å; G20-V91 WeakPolarHBondContact CA-O 3.43Å; G20-F106 VanDerWaalsContact C-CZ 3.49Å
21D96.7Very high96.6Very high25 Ų2519.8 Ų19.813%0.13412%0.123CC..  trans-57.4165.5-176.8-78.312.5000114V24 K26 S99 H102 F106D21-V24 HydrophobicContact CB-CG1 3.78Å; D21-V24 VanDerWaalsContact O-CG2 3.3Å; D21-V24 WeakPolarHBondContact O-CG2 3.27Å; D21-K26 PolarHBondContact O-NZ 3.22Å; D21-S99 WeakPolarHBondContact OD2-CA 3.29Å; D21-H102 IonicContact OD1-CG 3.09Å; D21-H102 IonicContact OD1-ND1 3.79Å; D21-H102 PolarHBondContact OD1-ND1 2.79Å; D21-H102 IonicContact OD2-CE1 2.74Å; D21-H102 IonicContact OD2-CG 3.04Å; D21-H102 IonicContact OD2-ND1 3.1Å; D21-H102 PolarHBondContact OD2-ND1 2.9Å; D21-F106 WeakPolarHBondContact OD1-CE2 3.48Å
22G94.6Very high96.9Very high21 Ų2118.9 Ų18.922%0.21612%0.118CC..THydrogen-bonded Turntrans-54.4141.5167.600000111.6V24 G70G22-V24 PolarHBondContact O-N 3.4Å; G22-V24 VanDerWaalsContact O-N 3.08Å; G22-G70 PolarHBondContact N-O 3.38Å
23G94.4Very high97Very high26 Ų2616.6 Ų16.627%0.26810%0.103SC..THydrogen-bonded Turntrans71.4-0.2172.900000116.8G25 Y42 K127G23-G25 PolarHBondContact O-N 3.38Å; G23-Y42 PolarHBondContact N-OH 2.91Å; G23-Y42 VanDerWaalsContact N-OH 3.08Å; G23-K127 VanDerWaalsContact O-CE 3.26Å; G23-K127 WeakPolarHBondContact O-CE 3.37Å; G23-K127 PolarHBondContact O-NZ 3.24Å
24V97Very high97Very high0 Ų015 Ų150%09%0.091CC..SBendtrans-70.5-13.4178.2-56.30000113.9D21 G22 K26 V91 S99 N126 K127D21-V24 HydrophobicContact CB-CG1 3.78Å; D21-V24 VanDerWaalsContact O-CG2 3.3Å; D21-V24 WeakPolarHBondContact O-CG2 3.27Å; G22-V24 PolarHBondContact O-N 3.4Å; G22-V24 VanDerWaalsContact O-N 3.08Å; V24-K26 HydrophobicContact CG2-CD 4.35Å; V24-K26 HydrophobicContact CG2-CG 3.63Å; V24-V91 HydrophobicContact CB-CG1 4.37Å; V24-V91 HydrophobicContact CG2-CB 4Å; V24-V91 HydrophobicContact CG2-CG1 3.84Å; V24-S99 VanDerWaalsContact CG1-CB 3.5Å; V24-N126 PolarHBondContact O-ND2 3.24Å; V24-K127 WeakPolarHBondContact O-CE 3.4Å
25G97Very high96.9Very high11 Ų1119 Ų1911%0.11311%0.11CC..SBendtrans95.630.9177.200000115.3G23 A28 L29 N126G23-G25 PolarHBondContact O-N 3.38Å; G25-A28 PolarHBondContact O-N 3.16Å; G25-L29 WeakPolarHBondContact O-CG 3.28Å; G25-L29 PolarHBondContact O-N 3.29Å; G25-N126 PolarHBondContact O-ND2 3.41Å
26K97.3Very high96.7Very high7 Ų719.5 Ų19.53%0.0311%0.112CC..Hα-helixtrans-56-54.9173.9-58.8-173-62-72.20111.4V18 V19 G20 D21 V24 A28 L29 T30 D67 T68 V91V18-K26 HydrophobicContact CG1-CB 3.71Å; V18-K26 HydrophobicContact CG1-CD 4.19Å; V18-K26 HydrophobicContact CG1-CG 3.89Å; V19-K26 VanDerWaalsContact C-CD 3.5Å; G20-K26 WeakPolarHBondContact O-CE 3.12Å; G20-K26 PolarHBondContact O-NZ 2.47Å; D21-K26 PolarHBondContact O-NZ 3.22Å; V24-K26 HydrophobicContact CG2-CD 4.35Å; V24-K26 HydrophobicContact CG2-CG 3.63Å; K26-A28 VanDerWaalsContact C-N 3.32Å; K26-A28 PolarHBondContact O-N 3.25Å; K26-L29 WeakPolarHBondContact O-CB 3.31Å; K26-L29 PolarHBondContact O-N 3.22Å; K26-L29 VanDerWaalsContact O-N 3.12Å; K26-T30 PolarHBondContact O-N 2.92Å; K26-T30 PolarHBondContact O-OG1 3.03Å; K26-T30 VanDerWaalsContact O-OG1 3.11Å; K26-D67 VanDerWaalsContact CB-OD1 3.25Å; K26-D67 WeakPolarHBondContact CB-OD1 3.26Å; K26-T68 WeakPolarHBondContact CE-O 3.48Å; K26-V91 HydrophobicContact CG-CB 4.19Å; K26-V91 HydrophobicContact CG-CG2 4.32Å
27S96.2Very high96.5Very high21 Ų2123.3 Ų23.315%0.14713%0.132CC..Hα-helixtrans-60.4-41177.5-37.40000112L29 T30 I31 T45 D67S27-L29 PolarHBondContact O-N 3.18Å; S27-T30 PolarHBondContact O-N 3.46Å; S27-I31 VanDerWaalsContact O-CB 3.3Å; S27-I31 WeakPolarHBondContact O-CB 3.48Å; S27-I31 VanDerWaalsContact O-CG1 3.23Å; S27-I31 WeakPolarHBondContact O-CG1 3.24Å; S27-I31 PolarHBondContact O-N 2.78Å; S27-T45 PolarHBondContact OG-OG1 3.23Å; S27-D67 WeakPolarHBondContact CA-OD2 3.34Å; S27-D67 WeakPolarHBondContact CB-OD2 3.45Å; S27-D67 PolarHBondContact N-OD2 3.01Å; S27-D67 PolarHBondContact OG-OD2 3Å
28A96.5Very high96.2Very high19 Ų1927.1 Ų27.116%0.15715%0.148CC..Hα-helixtrans-61.6-42.2175.900000112G25 K26 Q32 F38 A157G25-A28 PolarHBondContact O-N 3.16Å; K26-A28 VanDerWaalsContact C-N 3.32Å; K26-A28 PolarHBondContact O-N 3.25Å; A28-Q32 WeakPolarHBondContact O-CB 3.23Å; A28-Q32 PolarHBondContact O-N 3.1Å; A28-F38 HydrophobicContact CB-CD2 4.35Å; A28-F38 HydrophobicContact CB-CE2 4.07Å; A28-A157 HydrophobicContact CB-CB 3.71Å
29L98.1Very high95.8Very high4 Ų430.2 Ų30.22%0.02117%0.167CC..Hα-helixtrans-65.8-44174.8-72.7171.4000111.8G25 K26 S27 Q32 F33 V91 V124 N126 A157 V164G25-L29 WeakPolarHBondContact O-CG 3.28Å; G25-L29 PolarHBondContact O-N 3.29Å; K26-L29 WeakPolarHBondContact O-CB 3.31Å; K26-L29 PolarHBondContact O-N 3.22Å; K26-L29 VanDerWaalsContact O-N 3.12Å; S27-L29 PolarHBondContact O-N 3.18Å; L29-Q32 PolarHBondContact O-N 3.36Å; L29-F33 WeakPolarHBondContact O-CB 3.42Å; L29-F33 PolarHBondContact O-N 3.27Å; L29-V91 HydrophobicContact CD1-CG1 3.86Å; L29-V91 HydrophobicContact CD1-CG2 4.19Å; L29-V124 HydrophobicContact CD1-CG1 3.97Å; L29-N126 HydrophobicContact CD1-CB 4.19Å; L29-A157 HydrophobicContact CD2-CB 4.09Å; L29-A157 HydrophobicContact CG-CB 4.43Å; L29-V164 HydrophobicContact CD2-CG1 4.46Å; L29-V164 HydrophobicContact CD2-CG2 3.9Å; L29-V164 WeakPolarHBondContact O-CG1 3.1Å
30T97.1Very high95Very high0 Ų034.9 Ų34.90%020%0.197CC..Hα-helixtrans-63.5-52.6179-56.50000110.7K26 S27 Q32 F33 F34 Y50 V65 D67K26-T30 PolarHBondContact O-N 2.92Å; K26-T30 PolarHBondContact O-OG1 3.03Å; K26-T30 VanDerWaalsContact O-OG1 3.11Å; S27-T30 PolarHBondContact O-N 3.46Å; T30-Q32 VanDerWaalsContact C-N 3.32Å; T30-Q32 PolarHBondContact O-N 3.45Å; T30-F33 WeakPolarHBondContact O-CB 3.15Å; T30-F33 PolarHBondContact O-N 3.15Å; T30-F33 VanDerWaalsContact O-N 3.08Å; T30-F34 HydrophobicContact CG2-CD2 3.99Å; T30-F34 HydrophobicContact CG2-CE2 4.12Å; T30-F34 VanDerWaalsContact O-CD2 3.29Å; T30-F34 WeakPolarHBondContact O-CD2 3.28Å; T30-F34 PolarHBondContact O-N 3.41Å; T30-Y50 HydrophobicContact CG2-CD2 3.49Å; T30-Y50 VanDerWaalsContact CG2-CD2 3.49Å; T30-Y50 HydrophobicContact CG2-CE2 3.62Å; T30-Y50 HydrophobicContact CG2-CG 4.25Å; T30-V65 HydrophobicContact CG2-CG1 4.03Å; T30-D67 HydrophobicContact CG2-CB 4.32Å
31I95.5Very high94.3Very high29 Ų2941.4 Ų41.415%0.14923%0.232CC..Hα-helixtrans-59.2-44.9177.5-66.8165.7000110.4S27 F33 F34 Q35 I37 V39S27-I31 VanDerWaalsContact O-CB 3.3Å; S27-I31 WeakPolarHBondContact O-CB 3.48Å; S27-I31 VanDerWaalsContact O-CG1 3.23Å; S27-I31 WeakPolarHBondContact O-CG1 3.24Å; S27-I31 PolarHBondContact O-N 2.78Å; I31-F33 VanDerWaalsContact C-N 3.28Å; I31-F33 PolarHBondContact O-N 3.34Å; I31-F34 PolarHBondContact O-N 3.41Å; I31-Q35 HydrophobicContact CG2-CB 4.27Å; I31-Q35 HydrophobicContact CG2-CG 4.45Å; I31-Q35 WeakPolarHBondContact O-CA 2.9Å; I31-Q35 WeakPolarHBondContact O-CB 3.12Å; I31-Q35 PolarHBondContact O-N 2.92Å; I31-I37 HydrophobicContact CG2-CD1 4.31Å; I31-I37 HydrophobicContact CG2-CG1 3.75Å; I31-V39 HydrophobicContact CG2-CG2 4.25Å
32Q96.9Very high93.3Very high4 Ų445.9 Ų45.92%0.01925%0.248CC..Hα-helixtrans-62.8-35.7177.4-17862.4-60.100111.9A28 L29 T30 K36 I37 A157 P161 V164A28-Q32 WeakPolarHBondContact O-CB 3.23Å; A28-Q32 PolarHBondContact O-N 3.1Å; L29-Q32 PolarHBondContact O-N 3.36Å; T30-Q32 VanDerWaalsContact C-N 3.32Å; T30-Q32 PolarHBondContact O-N 3.45Å; Q32-K36 WeakPolarHBondContact O-CA 3.42Å; Q32-K36 WeakPolarHBondContact O-CD 3.48Å; Q32-K36 PolarHBondContact O-N 3.3Å; Q32-I37 WeakPolarHBondContact CA-O 3.24Å; Q32-I37 PolarHBondContact OE1-O 3.14Å; Q32-A157 HydrophobicContact CB-CB 4.33Å; Q32-A157 WeakPolarHBondContact CG-O 3.42Å; Q32-A157 PolarHBondContact NE2-O 3.06Å; Q32-P161 HydrophobicContact CG-CB 3.87Å; Q32-V164 HydrophobicContact CB-CG1 4.23Å; Q32-V164 HydrophobicContact CG-CB 4.37Å; Q32-V164 HydrophobicContact CG-CG1 4.14Å; Q32-V164 HydrophobicContact CG-CG2 3.95Å
33F97.3Very high92.8Very high0 Ų051.3 Ų51.30%027%0.272CS..Hα-helixtrans-66.3-44.9175.9179.5-124.6000112.4L29 T30 I31 K36 K52 L63 V164 D165 F168 H169L29-F33 WeakPolarHBondContact O-CB 3.42Å; L29-F33 PolarHBondContact O-N 3.27Å; T30-F33 WeakPolarHBondContact O-CB 3.15Å; T30-F33 PolarHBondContact O-N 3.15Å; T30-F33 VanDerWaalsContact O-N 3.08Å; I31-F33 VanDerWaalsContact C-N 3.28Å; I31-F33 PolarHBondContact O-N 3.34Å; F33-K36 WeakPolarHBondContact O-CE 3.33Å; F33-K36 PolarHBondContact O-NZ 3.18Å; F33-K52 HydrophobicContact CD1-CD 4.42Å; F33-K52 HydrophobicContact CE1-CD 3.79Å; F33-K52 HydrophobicContact CE2-CD 4.43Å; F33-K52 HydrophobicContact CZ-CD 3.8Å; F33-L63 HydrophobicContact CE1-CD1 3.94Å; F33-L63 HydrophobicContact CZ-CD1 3.8Å; F33-V164 HydrophobicContact CB-CG1 3.79Å; F33-D165 HydrophobicContact CD2-CB 4.3Å; F33-D165 HydrophobicContact CE2-CB 4.23Å; F33-F168 HydrophobicContact CB-CD2 3.72Å; F33-F168 HydrophobicContact CB-CE2 3.53Å; F33-F168 HydrophobicContact CB-CZ 4.24Å; F33-F168 HydrophobicContact CD1-CB 4.23Å; F33-F168 HydrophobicContact CD1-CD1 4.06Å; F33-F168 AromaticContact CD1-CD2 3.69Å; F33-F168 HydrophobicContact CD1-CD2 3.69Å; F33-F168 HydrophobicContact CD1-CE1 4.35Å; F33-F168 HydrophobicContact CD1-CE2 4.03Å; F33-F168 AromaticContact CD1-CG 3.72Å; F33-F168 HydrophobicContact CD1-CG 3.72Å; F33-F168 HydrophobicContact CD1-CZ 4.35Å; F33-F168 HydrophobicContact CD2-CB 4.3Å; F33-F168 AromaticContact CD2-CD2 3.74Å; F33-F168 HydrophobicContact CD2-CD2 3.74Å; F33-F168 HydrophobicContact CD2-CE2 4.43Å; F33-F168 HydrophobicContact CD2-CG 4.22Å; F33-F168 HydrophobicContact CE1-CB 3.89Å; F33-F168 HydrophobicContact CE1-CD1 4.21Å; F33-F168 HydrophobicContact CE1-CD2 4.24Å; F33-F168 AromaticContact CE1-CG 3.86Å; F33-F168 HydrophobicContact CE1-CG 3.86Å; F33-F168 HydrophobicContact CE2-CB 3.96Å; F33-F168 HydrophobicContact CE2-CD2 4.27Å; F33-F168 HydrophobicContact CE2-CG 4.33Å; F33-F168 HydrophobicContact CG-CB 4.44Å; F33-F168 AromaticContact CG-CD2 3.42Å; F33-F168 HydrophobicContact CG-CD2 3.42Å; F33-F168 VanDerWaalsContact CG-CD2 3.42Å; F33-F168 AromaticContact CG-CE2 3.76Å; F33-F168 HydrophobicContact CG-CE2 3.76Å; F33-F168 AromaticContact CG-CG 3.92Å; F33-F168 HydrophobicContact CG-CG 3.92Å; F33-F168 HydrophobicContact CG-CZ 4.47Å; F33-F168 HydrophobicContact CZ-CB 3.74Å; F33-F168 HydrophobicContact CZ-CD2 4.49Å; F33-F168 HydrophobicContact CZ-CG 4.16Å; F33-H169 AromaticContact CE2-NE2 3.94Å; F33-H169 AromaticContact CZ-NE2 3.99Å
34F96.1Very high92.4Very high32 Ų3253.3 Ų53.314%0.1428%0.28CS..Hα-helixtrans-82.4-48.5-174-82.4-94.6000113.7T30 I31 Y50 K52 V65T30-F34 HydrophobicContact CG2-CD2 3.99Å; T30-F34 HydrophobicContact CG2-CE2 4.12Å; T30-F34 VanDerWaalsContact O-CD2 3.29Å; T30-F34 WeakPolarHBondContact O-CD2 3.28Å; T30-F34 PolarHBondContact O-N 3.41Å; I31-F34 PolarHBondContact O-N 3.41Å; F34-Y50 HydrophobicContact CB-CD1 4.48Å; F34-Y50 HydrophobicContact CD1-CD1 4.35Å; F34-Y50 HydrophobicContact CD1-CG 4.32Å; F34-Y50 HydrophobicContact CD2-CG 4.17Å; F34-Y50 HydrophobicContact CE1-CG 4.36Å; F34-Y50 HydrophobicContact CE2-CG 4.24Å; F34-Y50 HydrophobicContact CG-CD1 4.21Å; F34-Y50 HydrophobicContact CG-CG 4.22Å; F34-Y50 HydrophobicContact CZ-CG 4.36Å; F34-Y50 WeakPolarHBondContact CZ-O 3.32Å; F34-K52 HydrophobicContact CD1-CB 3.95Å; F34-K52 HydrophobicContact CD1-CD 4.38Å; F34-K52 HydrophobicContact CE1-CB 3.35Å; F34-K52 HydrophobicContact CE1-CD 4.41Å; F34-K52 HydrophobicContact CE1-CG 4.41Å; F34-K52 HydrophobicContact CZ-CB 3.93Å; F34-V65 HydrophobicContact CE2-CB 3.62Å; F34-V65 HydrophobicContact CE2-CG1 4.12Å; F34-V65 HydrophobicContact CE2-CG2 3.63Å; F34-V65 HydrophobicContact CZ-CB 3.73Å; F34-V65 HydrophobicContact CZ-CG2 3.61Å
35Q94.5Very high91.6Very high102 Ų10254.4 Ų54.448%0.47729%0.287SS..Hα-helixtrans-104.7-10.7-167.7-58.6-177.922.400113.4I31 I37I31-Q35 HydrophobicContact CG2-CB 4.27Å; I31-Q35 HydrophobicContact CG2-CG 4.45Å; I31-Q35 WeakPolarHBondContact O-CA 2.9Å; I31-Q35 WeakPolarHBondContact O-CB 3.12Å; I31-Q35 PolarHBondContact O-N 2.92Å; Q35-I37 HydrophobicContact CB-CD1 4.3Å; Q35-I37 HydrophobicContact CB-CG1 3.9Å; Q35-I37 PolarHBondContact O-N 3.23Å
36K95.2Very high90.9Very high102 Ų10258.4 Ų58.444%0.44331%0.305SS..SBendtrans59.432.7-178.4-51.6-52.4-175-163.40113.4Q32 F33 D165Q32-K36 WeakPolarHBondContact O-CA 3.42Å; Q32-K36 WeakPolarHBondContact O-CD 3.48Å; Q32-K36 PolarHBondContact O-N 3.3Å; F33-K36 WeakPolarHBondContact O-CE 3.33Å; F33-K36 PolarHBondContact O-NZ 3.18Å; K36-D165 IonicContact NZ-OD1 3.12Å; K36-D165 PolarHBondContact NZ-OD1 2.85Å; K36-D165 IonicContact NZ-OD2 2.77Å; K36-D165 PolarHBondContact NZ-OD2 2.83Å
37I94.2Very high90.4Very high81 Ų8161.6 Ų61.642%0.41532%0.32SS..  trans-128.7156.7174.866.3176.1000110.8I31 Q32 Q35 V39I31-I37 HydrophobicContact CG2-CD1 4.31Å; I31-I37 HydrophobicContact CG2-CG1 3.75Å; Q32-I37 WeakPolarHBondContact CA-O 3.24Å; Q32-I37 PolarHBondContact OE1-O 3.14Å; Q35-I37 HydrophobicContact CB-CD1 4.3Å; Q35-I37 HydrophobicContact CB-CG1 3.9Å; Q35-I37 PolarHBondContact O-N 3.23Å; I37-V39 HydrophobicContact CD1-CG2 4.26Å
38F92Very high90.3Very high83 Ų8364.1 Ų64.136%0.36433%0.332SS..  trans-112.2121.2170176.7-106.9000109.5A28 P40 A157 K158A28-F38 HydrophobicContact CB-CD2 4.35Å; A28-F38 HydrophobicContact CB-CE2 4.07Å; F38-P40 HydrophobicContact CE1-CB 3.96Å; F38-A157 HydrophobicContact CD2-CB 4Å; F38-A157 HydrophobicContact CE2-CB 4.23Å; F38-K158 HydrophobicContact CD1-CG 4.46Å; F38-K158 HydrophobicContact CE1-CG 4.48Å
39V88.6Confident90.2Very high66 Ų6666.9 Ų66.940%0.435%0.349SS..  trans-96112.5174.6-176.10000107.8I31 I37I31-V39 HydrophobicContact CG2-CG2 4.25Å; I37-V39 HydrophobicContact CD1-CG2 4.26Å
40P81.7Confident90Very high98 Ų9868.9 Ų68.964%0.63636%0.357SS*.  trans-74.4-30.8-174.828.5-34000112.9F38F38-P40 HydrophobicContact CE1-CB 3.96Å
41D82.9Confident90Very high139 Ų13974.3 Ų74.374%0.74339%0.386SS*.SBendtrans-73.7129.4179.2-62.6-42.2000110
42Y75.7Confident90Very high119 Ų11975.4 Ų75.447%0.46739%0.389SS..  trans-98.2116.4179.4175.9-104.1000110.2G23 P44G23-Y42 PolarHBondContact N-OH 2.91Å; G23-Y42 VanDerWaalsContact N-OH 3.08Å; Y42-P44 HydrophobicContact CE1-CG 3.97Å
43D83.7Confident89.9Confident134 Ų13480.2 Ų80.272%0.71741%0.411SS*.  trans-110128.3166.3-167.914.8000109T45D43-T45 PolarHBondContact O-N 3.26Å
44P86.1Confident89.8Confident68 Ų6881 Ų8144%0.44242%0.416SS..  trans-57.7111.9175.6-26.635.7000112.9Y42Y42-P44 HydrophobicContact CE1-CG 3.97Å
45T81.7Confident89.7Confident23 Ų2383.5 Ų83.514%0.14143%0.429CS..  trans-72142.8174.6-48.70000111.8S27 D43 A69S27-T45 PolarHBondContact OG-OG1 3.23Å; D43-T45 PolarHBondContact O-N 3.26Å; T45-A69 VanDerWaalsContact O-CA 3.22Å; T45-A69 WeakPolarHBondContact O-CA 3.38Å; T45-A69 VanDerWaalsContact O-CB 3.23Å; T45-A69 WeakPolarHBondContact O-CB 3.32Å
46I81.7Confident89.8Confident95 Ų9578.7 Ų78.749%0.48741%0.406SS..SBendtrans-87.3-62.6164.4-62.2177.6000108.4A69 F74 M77I46-A69 WeakPolarHBondContact O-CA 3.26Å; I46-A69 VanDerWaalsContact O-CB 3.24Å; I46-A69 WeakPolarHBondContact O-CB 3.27Å; I46-A69 PolarHBondContact O-N 2.78Å; I46-F74 HydrophobicContact CG1-CE1 4.26Å; I46-F74 HydrophobicContact CG1-CZ 4.02Å; I46-F74 HydrophobicContact CG2-CD1 4.41Å; I46-F74 HydrophobicContact CG2-CE1 4.13Å; I46-M77 HydrophobicContact CG2-CE 3.68Å; I46-M77 HydrophobicContact CG2-SD 4.2Å; I46-M77 VanDerWaalsContact O-CE 3.28Å; I46-M77 WeakPolarHBondContact O-CE 3.3Å
47E87.8Confident89.8Confident75 Ų7577.7 Ų77.735%0.3541%0.405SS..EExtended strand (participates in β ladder)trans-163.3151.6169.963.4-165.7-141.800109.8L66 D67 M77 Y81E47-L66 HydrophobicContact CB-CD1 4.36Å; E47-D67 VanDerWaalsContact CA-O 3.28Å; E47-D67 WeakPolarHBondContact CA-O 3.33Å; E47-M77 HydrophobicContact CB-CE 4.24Å; E47-M77 WeakPolarHBondContact OE2-CE 3.34Å; E47-Y81 HydrophobicContact CB-CE2 4.5Å; E47-Y81 PolarHBondContact OE1-OH 2.8Å; E47-Y81 WeakPolarHBondContact OE2-CE2 3.37Å; E47-Y81 PolarHBondContact OE2-OH 3.27Å
48D93Very high89.8Confident74 Ų7480.8 Ų80.840%0.39642%0.423SS..EExtended strand (participates in β ladder)trans-144.4135.5168.8-78.3-57.5000109.4Y50 D67D48-Y50 HydrophobicContact CB-CD2 4.29Å; D48-Y50 HydrophobicContact CB-CE2 3.43Å; D48-Y50 VanDerWaalsContact CB-CE2 3.43Å; D48-D67 HydrophobicContact CB-CB 4.45Å; D48-D67 PolarHBondContact N-O 3.01Å; D48-D67 VanDerWaalsContact N-O 3.09Å; D48-D67 PolarHBondContact O-N 2.93Å
49S93.6Very high89.9Confident76 Ų7681.2 Ų81.253%0.53143%0.426SS..EExtended strand (participates in β ladder)trans-109.6135.6177172.90000110.7D64 V65S49-D64 PolarHBondContact OG-OD1 3.29Å; S49-V65 WeakPolarHBondContact CA-O 3.17Å
50Y95.6Very high90.2Very high46 Ų4680.4 Ų80.418%0.1842%0.416CS..EExtended strand (participates in β ladder)trans-132.1134.2-178.5-58.5-96.6000110.7T30 F34 D48 V65T30-Y50 HydrophobicContact CG2-CD2 3.49Å; T30-Y50 VanDerWaalsContact CG2-CD2 3.49Å; T30-Y50 HydrophobicContact CG2-CE2 3.62Å; T30-Y50 HydrophobicContact CG2-CG 4.25Å; F34-Y50 HydrophobicContact CB-CD1 4.48Å; F34-Y50 HydrophobicContact CD1-CD1 4.35Å; F34-Y50 HydrophobicContact CD1-CG 4.32Å; F34-Y50 HydrophobicContact CD2-CG 4.17Å; F34-Y50 HydrophobicContact CE1-CG 4.36Å; F34-Y50 HydrophobicContact CE2-CG 4.24Å; F34-Y50 HydrophobicContact CG-CD1 4.21Å; F34-Y50 HydrophobicContact CG-CG 4.22Å; F34-Y50 HydrophobicContact CZ-CG 4.36Å; F34-Y50 WeakPolarHBondContact CZ-O 3.32Å; D48-Y50 HydrophobicContact CB-CD2 4.29Å; D48-Y50 HydrophobicContact CB-CE2 3.43Å; D48-Y50 VanDerWaalsContact CB-CE2 3.43Å; Y50-V65 PolarHBondContact N-O 3.28Å; Y50-V65 PolarHBondContact O-N 2.63Å
51L96.1Very high90.9Very high115 Ų11575.7 Ų75.760%0.60239%0.385SS*.EExtended strand (participates in β ladder)trans-109.9126.6176.9-70.2167.7000111.6I62 L63 D64L51-I62 HydrophobicContact CD2-CG2 3.89Å; L51-L63 CarbonylContact C-O 3.55Å; L51-L63 WeakPolarHBondContact CA-O 3.42Å; L51-D64 HydrophobicContact CD2-CB 3.54Å
52K94.7Very high91.5Very high52 Ų5270.6 Ų70.623%0.22636%0.358CS..EExtended strand (participates in β ladder)trans-132.5125.3177.8-173.8175.9-170.875.40111.6F33 F34 L63F33-K52 HydrophobicContact CD1-CD 4.42Å; F33-K52 HydrophobicContact CE1-CD 3.79Å; F33-K52 HydrophobicContact CE2-CD 4.43Å; F33-K52 HydrophobicContact CZ-CD 3.8Å; F34-K52 HydrophobicContact CD1-CB 3.95Å; F34-K52 HydrophobicContact CD1-CD 4.38Å; F34-K52 HydrophobicContact CE1-CB 3.35Å; F34-K52 HydrophobicContact CE1-CD 4.41Å; F34-K52 HydrophobicContact CE1-CG 4.41Å; F34-K52 HydrophobicContact CZ-CB 3.93Å; K52-L63 PolarHBondContact N-O 3.4Å; K52-L63 PolarHBondContact O-N 3.06Å
53H95Very high92.6Very high104 Ų10465 Ų6548%0.48134%0.336SS..EExtended strand (participates in β ladder)trans-79.6123.9166-60.784.7000108.4W60H53-W60 HydrophobicContact CB-CZ3 4.25Å
54T95Very high93.2Very high17 Ų1760.2 Ų60.210%0.10431%0.31CS..EExtended strand (participates in β ladder)trans-146.2152.1-179.9-171.20000111.1I56 W60 A61 L63 H169T54-I56 HydrophobicContact CG2-CD1 3.74Å; T54-I56 HydrophobicContact CG2-CG1 3.91Å; T54-W60 WeakPolarHBondContact O-CA 3.34Å; T54-A61 PolarHBondContact N-O 3.12Å; T54-A61 PolarHBondContact O-N 3.12Å; T54-L63 HydrophobicContact CG2-CD1 3.72Å; T54-L63 HydrophobicContact CG2-CG 3.81Å; T54-H169 PolarHBondContact OG1-NE2 2.94Å
55E95.5Very high93.8Very high85 Ų8557 Ų5740%0.39729%0.289SS..EExtended strand (participates in β ladder)trans-99.6118173.5-174.2172.3-154.300109.2N58 W60E55-N58 WeakPolarHBondContact OE1-CA 3.45Å; E55-W60 HydrophobicContact CB-CD2 4.19Å; E55-W60 HydrophobicContact CB-CE3 4.48Å; E55-W60 HydrophobicContact CB-CZ2 4.39Å
56I96.1Very high94.6Very high1 Ų157 Ų571%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-122.3119.4178.7-58.1163.3000107.2T54 N58 Q59 L63 H169 V172 R173 R176T54-I56 HydrophobicContact CG2-CD1 3.74Å; T54-I56 HydrophobicContact CG2-CG1 3.91Å; I56-N58 VanDerWaalsContact C-N 3.3Å; I56-N58 PolarHBondContact O-N 3.4Å; I56-Q59 PolarHBondContact N-O 3.36Å; I56-Q59 VanDerWaalsContact N-O 3.09Å; I56-Q59 PolarHBondContact O-N 2.72Å; I56-Q59 VanDerWaalsContact O-N 3.12Å; I56-L63 HydrophobicContact CD1-CD1 4.3Å; I56-L63 HydrophobicContact CD1-CD2 4.33Å; I56-H169 HydrophobicContact CD1-CB 4.32Å; I56-H169 HydrophobicContact CG1-CB 4.28Å; I56-H169 HydrophobicContact CG2-CB 4.24Å; I56-V172 HydrophobicContact CD1-CB 3.82Å; I56-V172 HydrophobicContact CD1-CG1 3.84Å; I56-V172 HydrophobicContact CD1-CG2 3.75Å; I56-R173 HydrophobicContact CG2-CG 4.39Å; I56-R176 PolarHBondContact O-NH1 2.72Å
57D95.3Very high95.2Very high80 Ų8052.4 Ų52.443%0.42827%0.265SS..THydrogen-bonded Turntrans52.548.2-177.6-47.8-34.6000112Q59 R173D57-Q59 PolarHBondContact O-N 2.87Å; D57-Q59 VanDerWaalsContact O-N 3.15Å; D57-R173 IonicContact OD1-CZ 3.76Å; D57-R173 IonicContact OD1-NE 2.68Å; D57-R173 PolarHBondContact OD1-NE 2.88Å; D57-R173 VanDerWaalsContact OD1-NE 3.09Å; D57-R173 IonicContact OD1-NH2 2.61Å; D57-R173 PolarHBondContact OD1-NH2 2.9Å; D57-R173 WeakPolarHBondContact OD2-CG 3.23Å; D57-R173 IonicContact OD2-CZ 2.75Å; D57-R173 IonicContact OD2-NE 3.36Å; D57-R173 PolarHBondContact OD2-NE 3.25Å; D57-R173 IonicContact OD2-NH2 2.69Å
58N93.4Very high95.5Very high146 Ų14648.9 Ų48.978%0.78125%0.249SC*.THydrogen-bonded Turntrans60.222.7179.5-55.941.8000113.9E55 I56E55-N58 WeakPolarHBondContact OE1-CA 3.45Å; I56-N58 VanDerWaalsContact C-N 3.3Å; I56-N58 PolarHBondContact O-N 3.4Å
59Q94.3Very high95.4Very high92 Ų9245.4 Ų45.443%0.4323%0.23SC..EExtended strand (participates in β ladder)trans-127.4112.1176.7-66.2179.343.400109.5I56 D57 R176I56-Q59 PolarHBondContact N-O 3.36Å; I56-Q59 VanDerWaalsContact N-O 3.09Å; I56-Q59 PolarHBondContact O-N 2.72Å; I56-Q59 VanDerWaalsContact O-N 3.12Å; D57-Q59 PolarHBondContact O-N 2.87Å; D57-Q59 VanDerWaalsContact O-N 3.15Å; Q59-R176 PolarHBondContact O-NH2 3.01Å
60W95Very high95Very high49 Ų4942.2 Ų42.219%0.18621%0.209CC..EExtended strand (participates in β ladder)trans-58.9137.9171.8-7793.8000111.5V6 P7 L11 H53 T54 E55V6-W60 HydrophobicContact CG1-CE3 4.24Å; V6-W60 HydrophobicContact CG1-CZ3 4.37Å; V6-W60 HydrophobicContact CG2-CE3 4.5Å; V6-W60 HydrophobicContact CG2-CH2 3.7Å; V6-W60 HydrophobicContact CG2-CZ2 4.15Å; V6-W60 HydrophobicContact CG2-CZ3 3.9Å; P7-W60 HydrophobicContact CG-CG 4.42Å; L11-W60 HydrophobicContact CD1-CB 4.15Å; L11-W60 HydrophobicContact CD2-CB 3.56Å; H53-W60 HydrophobicContact CB-CZ3 4.25Å; T54-W60 WeakPolarHBondContact O-CA 3.34Å; E55-W60 HydrophobicContact CB-CD2 4.19Å; E55-W60 HydrophobicContact CB-CE3 4.48Å; E55-W60 HydrophobicContact CB-CZ2 4.39Å
61A95.9Very high94.7Very high0 Ų043.4 Ų43.40%022%0.216CC..EExtended strand (participates in β ladder)trans-147.7159.5176.200000110.6P12 Y14 T54P12-A61 HydrophobicContact CG-CB 4.3Å; P12-A61 WeakPolarHBondContact O-CA 3.37Å; Y14-A61 HydrophobicContact CD2-CB 3.8Å; Y14-A61 HydrophobicContact CE2-CB 3.59Å; T54-A61 PolarHBondContact N-O 3.12Å; T54-A61 PolarHBondContact O-N 3.12Å
62I96.8Very high94.2Very high32 Ų3241.8 Ų41.816%0.16421%0.206CC..EExtended strand (participates in β ladder)trans-101.5122.9168.6-57.2173.3000107L11 P12 T13 Y14 L51L11-I62 HydrophobicContact CB-CD1 4.15Å; L11-I62 HydrophobicContact CB-CG1 4.01Å; L11-I62 HydrophobicContact CD1-CG1 4.27Å; P12-I62 PolarHBondContact O-N 2.84Å; T13-I62 CarbonylContact C-O 3.52Å; T13-I62 VanDerWaalsContact CA-O 3.29Å; T13-I62 WeakPolarHBondContact CA-O 3.33Å; T13-I62 HydrophobicContact CG2-CB 4.15Å; T13-I62 HydrophobicContact CG2-CG2 4.1Å; Y14-I62 PolarHBondContact N-O 2.95Å; L51-I62 HydrophobicContact CD2-CG2 3.89Å
63L97.9Very high94Very high0 Ų046.7 Ų46.70%023%0.229CC..EExtended strand (participates in β ladder)trans-96116.4168.8-54.2-173.4000108.3Y14 L16 F33 L51 K52 T54 I56 V65 V172Y14-L63 HydrophobicContact CD2-CD2 4.07Å; L16-L63 HydrophobicContact CD1-CB 4.44Å; L16-L63 HydrophobicContact CD1-CD1 4.16Å; L16-L63 HydrophobicContact CD1-CD2 4.14Å; L16-L63 HydrophobicContact CD1-CG 4.47Å; F33-L63 HydrophobicContact CE1-CD1 3.94Å; F33-L63 HydrophobicContact CZ-CD1 3.8Å; L51-L63 CarbonylContact C-O 3.55Å; L51-L63 WeakPolarHBondContact CA-O 3.42Å; K52-L63 PolarHBondContact N-O 3.4Å; K52-L63 PolarHBondContact O-N 3.06Å; T54-L63 HydrophobicContact CG2-CD1 3.72Å; T54-L63 HydrophobicContact CG2-CG 3.81Å; I56-L63 HydrophobicContact CD1-CD1 4.3Å; I56-L63 HydrophobicContact CD1-CD2 4.33Å; L63-V65 HydrophobicContact CB-CG2 4.06Å; L63-V172 HydrophobicContact CD1-CG2 4.36Å; L63-V172 HydrophobicContact CD2-CG2 3.33Å; L63-V172 HydrophobicContact CG-CG2 4.48Å
64D97.6Very high93.8Very high35 Ų3545 Ų4519%0.18722%0.22CC..EExtended strand (participates in β ladder)trans-98.294.7169.8-179.83000106.9T13 Y14 K15 L16 S49 L51T13-D64 HydrophobicContact CG2-CB 4.07Å; Y14-D64 PolarHBondContact O-N 3.2Å; K15-D64 CarbonylContact C-O 3.43Å; K15-D64 VanDerWaalsContact CA-O 3.27Å; K15-D64 WeakPolarHBondContact CA-O 3.37Å; K15-D64 HydrophobicContact CG-CB 4.18Å; L16-D64 PolarHBondContact N-O 2.9Å; S49-D64 PolarHBondContact OG-OD1 3.29Å; L51-D64 HydrophobicContact CD2-CB 3.54Å
65V98.3Very high93.5Very high0 Ų046 Ų460%023%0.228CC..EExtended strand (participates in β ladder)trans-99.1122-173.8-178.60000109L16 V18 T30 F34 S49 Y50 L63 F168L16-V65 HydrophobicContact CB-CG2 4.22Å; L16-V65 HydrophobicContact CD1-CG2 4.24Å; L16-V65 HydrophobicContact CG-CG2 4.48Å; L16-V65 CarbonylContact O-C 2.98Å; L16-V65 WeakPolarHBondContact O-CA 3.47Å; V18-V65 HydrophobicContact CG2-CG1 3.98Å; T30-V65 HydrophobicContact CG2-CG1 4.03Å; F34-V65 HydrophobicContact CE2-CB 3.62Å; F34-V65 HydrophobicContact CE2-CG1 4.12Å; F34-V65 HydrophobicContact CE2-CG2 3.63Å; F34-V65 HydrophobicContact CZ-CB 3.73Å; F34-V65 HydrophobicContact CZ-CG2 3.61Å; S49-V65 WeakPolarHBondContact CA-O 3.17Å; Y50-V65 PolarHBondContact N-O 3.28Å; Y50-V65 PolarHBondContact O-N 2.63Å; L63-V65 HydrophobicContact CB-CG2 4.06Å; V65-F168 HydrophobicContact CG1-CD1 4.37Å; V65-F168 HydrophobicContact CG1-CE1 3.64Å; V65-F168 HydrophobicContact CG1-CZ 4.46Å; V65-F168 HydrophobicContact CG2-CD1 4.15Å; V65-F168 HydrophobicContact CG2-CE1 4.22Å
66L97.4Very high93.2Very high22 Ų2245.5 Ų45.512%0.11524%0.239CC..EExtended strand (participates in β ladder)trans-102.9114.6172.6-17372000110L16 V17 V18 E47 T68 Y81L16-L66 PolarHBondContact O-N 3.16Å; V17-L66 HydrophobicContact CG1-CD2 4.38Å; V17-L66 HydrophobicContact CG2-CB 4.45Å; V18-L66 PolarHBondContact N-O 3.24Å; E47-L66 HydrophobicContact CB-CD1 4.36Å; L66-T68 HydrophobicContact CD2-CG2 4.08Å; L66-T68 HydrophobicContact CG-CG2 4.12Å; L66-Y81 HydrophobicContact CD2-CD1 3.32Å; L66-Y81 HydrophobicContact CD2-CD2 3.49Å; L66-Y81 VanDerWaalsContact CD2-CD2 3.49Å; L66-Y81 HydrophobicContact CD2-CE1 3.9Å; L66-Y81 HydrophobicContact CD2-CE2 3.99Å; L66-Y81 HydrophobicContact CD2-CG 3.14Å
67D95.2Very high93Very high0 Ų047.5 Ų47.50%025%0.249CC..EExtended strand (participates in β ladder)trans-80.1137.2162.8-171.928.1000109.4K26 S27 T30 E47 D48K26-D67 VanDerWaalsContact CB-OD1 3.25Å; K26-D67 WeakPolarHBondContact CB-OD1 3.26Å; S27-D67 WeakPolarHBondContact CA-OD2 3.34Å; S27-D67 WeakPolarHBondContact CB-OD2 3.45Å; S27-D67 PolarHBondContact N-OD2 3.01Å; S27-D67 PolarHBondContact OG-OD2 3Å; T30-D67 HydrophobicContact CG2-CB 4.32Å; E47-D67 VanDerWaalsContact CA-O 3.28Å; E47-D67 WeakPolarHBondContact CA-O 3.33Å; D48-D67 HydrophobicContact CB-CB 4.45Å; D48-D67 PolarHBondContact N-O 3.01Å; D48-D67 VanDerWaalsContact N-O 3.09Å; D48-D67 PolarHBondContact O-N 2.93Å
68T93.4Very high92.7Very high1 Ų144 Ų441%0.00623%0.23CC..EExtended strand (participates in β ladder)trans-122.8154.7-172.768.60000112.2V17 V18 K26 L66 G70 Y81V17-T68 HydrophobicContact CG1-CG2 3.6Å; V18-T68 PolarHBondContact O-OG1 2.85Å; K26-T68 WeakPolarHBondContact CE-O 3.48Å; L66-T68 HydrophobicContact CD2-CG2 4.08Å; L66-T68 HydrophobicContact CG-CG2 4.12Å; T68-G70 PolarHBondContact O-N 3.35Å; T68-Y81 HydrophobicContact CG2-CD2 4.3Å
69A91.2Very high92.7Very high0 Ų039.4 Ų39.40%020%0.203CC..  trans-57.6134171.700000112.5T45 I46 F74 R78T45-A69 VanDerWaalsContact O-CA 3.22Å; T45-A69 WeakPolarHBondContact O-CA 3.38Å; T45-A69 VanDerWaalsContact O-CB 3.23Å; T45-A69 WeakPolarHBondContact O-CB 3.32Å; I46-A69 WeakPolarHBondContact O-CA 3.26Å; I46-A69 VanDerWaalsContact O-CB 3.24Å; I46-A69 WeakPolarHBondContact O-CB 3.27Å; I46-A69 PolarHBondContact O-N 2.78Å; A69-F74 HydrophobicContact CB-CB 3.58Å; A69-F74 HydrophobicContact CB-CD2 3.44Å; A69-F74 VanDerWaalsContact CB-CD2 3.44Å; A69-F74 HydrophobicContact CB-CE2 4.26Å; A69-F74 HydrophobicContact CB-CG 3.63Å; A69-R78 WeakPolarHBondContact O-CD 3.33Å; A69-R78 PolarHBondContact O-NH1 2.85Å
70G85.6Confident92.7Very high9 Ų940.2 Ų40.29%0.09321%0.207CC..  trans-81.8-16.617200000114.7G20 G22 T68 R78G20-G70 WeakPolarHBondContact O-CA 3.17Å; G22-G70 PolarHBondContact N-O 3.38Å; T68-G70 PolarHBondContact O-N 3.35Å; G70-R78 PolarHBondContact O-NH1 2.94Å; G70-R78 VanDerWaalsContact O-NH1 3.09Å
71Q88.6Confident92.7Very high72 Ų7239.4 Ų39.434%0.33620%0.204SC..SBendtrans-80.9148.7-173-49.4-63.75.900112.5E73 F74 R78Q71-E73 VanDerWaalsContact C-N 3.29Å; Q71-E73 VanDerWaalsContact CB-OE2 3.25Å; Q71-E73 WeakPolarHBondContact CB-OE2 3.25Å; Q71-E73 PolarHBondContact O-N 3.48Å; Q71-F74 HydrophobicContact CB-CD2 4.01Å; Q71-F74 HydrophobicContact CB-CE2 4.32Å; Q71-F74 PolarHBondContact O-N 3.1Å; Q71-R78 PolarHBondContact O-NH1 3.36Å; Q71-R78 PolarHBondContact O-NH2 3.27Å
72E86.8Confident92.7Very high81 Ų8139.4 Ų39.438%0.37920%0.204SC..G310 helixtrans-69.7-28.5-169.9-169.461.9-176.300113.3F74 S75 R78 R105E72-F74 PolarHBondContact O-N 2.91Å; E72-F74 VanDerWaalsContact O-N 3.16Å; E72-S75 WeakPolarHBondContact O-CB 3.23Å; E72-S75 PolarHBondContact O-N 2.95Å; E72-S75 PolarHBondContact O-OG 3.01Å; E72-R78 IonicContact OE2-NH2 2.97Å; E72-R78 PolarHBondContact OE2-NH2 3.42Å; E72-R105 VanDerWaalsContact CD-NH1 3.27Å; E72-R105 IonicContact OE1-CZ 3.01Å; E72-R105 IonicContact OE1-NH1 2.64Å; E72-R105 PolarHBondContact OE1-NH1 3.4Å; E72-R105 IonicContact OE1-NH2 2.81Å; E72-R105 PolarHBondContact OE1-NH2 3.2Å; E72-R105 IonicContact OE2-CZ 3.71Å; E72-R105 IonicContact OE2-NH1 3.84Å; E72-R105 PolarHBondContact OE2-NH1 2.93Å
73E90Very high92.6Very high155 Ų15544.8 Ų44.872%0.72422%0.222SC*.G310 helixtrans-61.4-23.1177.7-59.876.3-166.500112.1Q71Q71-E73 VanDerWaalsContact C-N 3.29Å; Q71-E73 VanDerWaalsContact CB-OE2 3.25Å; Q71-E73 WeakPolarHBondContact CB-OE2 3.25Å; Q71-E73 PolarHBondContact O-N 3.48Å
74F89.7Confident92.5Very high67 Ų6748.5 Ų48.529%0.29425%0.245SC..G310 helixtrans-9613.9177-58.7-74.5000113.5I46 A69 Q71 E72 A76 M77 R78I46-F74 HydrophobicContact CG1-CE1 4.26Å; I46-F74 HydrophobicContact CG1-CZ 4.02Å; I46-F74 HydrophobicContact CG2-CD1 4.41Å; I46-F74 HydrophobicContact CG2-CE1 4.13Å; A69-F74 HydrophobicContact CB-CB 3.58Å; A69-F74 HydrophobicContact CB-CD2 3.44Å; A69-F74 VanDerWaalsContact CB-CD2 3.44Å; A69-F74 HydrophobicContact CB-CE2 4.26Å; A69-F74 HydrophobicContact CB-CG 3.63Å; Q71-F74 HydrophobicContact CB-CD2 4.01Å; Q71-F74 HydrophobicContact CB-CE2 4.32Å; Q71-F74 PolarHBondContact O-N 3.1Å; E72-F74 PolarHBondContact O-N 2.91Å; E72-F74 VanDerWaalsContact O-N 3.16Å; F74-A76 PolarHBondContact O-N 3.39Å; F74-M77 HydrophobicContact CB-CE 4.39Å; F74-M77 HydrophobicContact CD1-CE 4.28Å; F74-M77 WeakPolarHBondContact O-CB 2.83Å; F74-M77 PolarHBondContact O-N 2.92Å; F74-M77 VanDerWaalsContact O-N 3.14Å; F74-R78 PolarHBondContact O-N 3.09Å
75S89Confident92.5Very high39 Ų3946.9 Ų46.927%0.27324%0.237SC..Hα-helixtrans-55-45-178.351.90000113.9E72 M77 R78 E79E72-S75 WeakPolarHBondContact O-CB 3.23Å; E72-S75 PolarHBondContact O-N 2.95Å; E72-S75 PolarHBondContact O-OG 3.01Å; S75-M77 VanDerWaalsContact C-N 3.29Å; S75-M77 PolarHBondContact O-N 2.85Å; S75-R78 WeakPolarHBondContact O-CB 3.22Å; S75-R78 PolarHBondContact O-N 2.86Å; S75-E79 PolarHBondContact O-N 2.92Å
76A90.5Very high92.5Very high74 Ų7449.7 Ų49.761%0.61225%0.252SS*.Hα-helixtrans-61.1-38.3178.300000112.6F74 E79 Q80F74-A76 PolarHBondContact O-N 3.39Å; A76-E79 PolarHBondContact O-N 2.9Å; A76-Q80 PolarHBondContact O-N 3.09Å
77M90.7Very high92.6Very high44 Ų4448.7 Ų48.722%0.21725%0.246CC..Hα-helixtrans-68.1-43.5177.3-161.2179.674.600111I46 E47 F74 S75 E79 Q80 Y81I46-M77 HydrophobicContact CG2-CE 3.68Å; I46-M77 HydrophobicContact CG2-SD 4.2Å; I46-M77 VanDerWaalsContact O-CE 3.28Å; I46-M77 WeakPolarHBondContact O-CE 3.3Å; E47-M77 HydrophobicContact CB-CE 4.24Å; E47-M77 WeakPolarHBondContact OE2-CE 3.34Å; F74-M77 HydrophobicContact CB-CE 4.39Å; F74-M77 HydrophobicContact CD1-CE 4.28Å; F74-M77 WeakPolarHBondContact O-CB 2.83Å; F74-M77 PolarHBondContact O-N 2.92Å; F74-M77 VanDerWaalsContact O-N 3.14Å; S75-M77 VanDerWaalsContact C-N 3.29Å; S75-M77 PolarHBondContact O-N 2.85Å; M77-E79 VanDerWaalsContact C-N 3.31Å; M77-E79 PolarHBondContact O-N 3.18Å; M77-Q80 WeakPolarHBondContact O-CB 3.48Å; M77-Q80 PolarHBondContact O-N 3.12Å; M77-Q80 VanDerWaalsContact O-N 3.12Å; M77-Y81 HydrophobicContact CE-CE2 4.03Å; M77-Y81 HydrophobicContact CG-CD2 4.41Å; M77-Y81 HydrophobicContact CG-CE2 3.59Å; M77-Y81 VanDerWaalsContact O-CD2 3.23Å; M77-Y81 WeakPolarHBondContact O-CD2 3.31Å; M77-Y81 PolarHBondContact O-N 2.85Å; M77-Y81 HydrophobicContact SD-CE2 4.27Å
78R90.3Very high92.7Very high7 Ų748.7 Ų48.73%0.02625%0.246CC..Hα-helixtrans-57.7-41.5173.3-70.8-171.8-67.6-130.47112.6A69 G70 Q71 E72 F74 S75 Q80 Y81 M82A69-R78 WeakPolarHBondContact O-CD 3.33Å; A69-R78 PolarHBondContact O-NH1 2.85Å; G70-R78 PolarHBondContact O-NH1 2.94Å; G70-R78 VanDerWaalsContact O-NH1 3.09Å; Q71-R78 PolarHBondContact O-NH1 3.36Å; Q71-R78 PolarHBondContact O-NH2 3.27Å; E72-R78 IonicContact OE2-NH2 2.97Å; E72-R78 PolarHBondContact OE2-NH2 3.42Å; F74-R78 PolarHBondContact O-N 3.09Å; S75-R78 WeakPolarHBondContact O-CB 3.22Å; S75-R78 PolarHBondContact O-N 2.86Å; R78-Q80 VanDerWaalsContact C-N 3.3Å; R78-Q80 PolarHBondContact O-N 2.83Å; R78-Y81 PolarHBondContact O-N 2.98Å; R78-M82 WeakPolarHBondContact O-CG 3.25Å; R78-M82 PolarHBondContact O-N 3.13Å
79E93.2Very high93Very high48 Ų4848.7 Ų48.722%0.22425%0.247CC..Hα-helixtrans-62-37.6177.1-73-165.8-16100112.2S75 A76 M77 Y81 M82 R83 L109 R112 V113S75-E79 PolarHBondContact O-N 2.92Å; A76-E79 PolarHBondContact O-N 2.9Å; M77-E79 VanDerWaalsContact C-N 3.31Å; M77-E79 PolarHBondContact O-N 3.18Å; E79-Y81 VanDerWaalsContact C-N 3.32Å; E79-Y81 PolarHBondContact O-N 3.43Å; E79-M82 PolarHBondContact O-N 3.29Å; E79-R83 PolarHBondContact O-N 3.27Å; E79-R83 VanDerWaalsContact O-N 3.1Å; E79-L109 HydrophobicContact CG-CD1 4.03Å; E79-L109 HydrophobicContact CG-CD2 4.13Å; E79-L109 HydrophobicContact CG-CG 4.38Å; E79-R112 IonicContact OE1-NH2 2.72Å; E79-R112 PolarHBondContact OE1-NH2 3.39Å; E79-R112 VanDerWaalsContact OE1-NH2 3.1Å; E79-R112 IonicContact OE2-NH2 3.24Å; E79-V113 HydrophobicContact CB-CG2 4.4Å; E79-V113 HydrophobicContact CG-CG2 4.27Å
80Q94.7Very high93.3Very high110 Ų11048.7 Ų48.751%0.51425%0.247SC..Hα-helixtrans-60.2-43.3174.2179.1175.3-47.900111.5A76 M77 R78 R83A76-Q80 PolarHBondContact O-N 3.09Å; M77-Q80 WeakPolarHBondContact O-CB 3.48Å; M77-Q80 PolarHBondContact O-N 3.12Å; M77-Q80 VanDerWaalsContact O-N 3.12Å; R78-Q80 VanDerWaalsContact C-N 3.3Å; R78-Q80 PolarHBondContact O-N 2.83Å; Q80-R83 WeakPolarHBondContact O-CB 3.3Å; Q80-R83 PolarHBondContact O-N 2.92Å; Q80-R83 VanDerWaalsContact O-N 3.16Å
81Y93.4Very high94Very high32 Ų3248.3 Ų48.313%0.12524%0.243CC..Hα-helixtrans-69.6-34.1177.2-60.7-45.5000113.6E47 L66 T68 M77 R78 E79 R83 T84 G85E47-Y81 HydrophobicContact CB-CE2 4.5Å; E47-Y81 PolarHBondContact OE1-OH 2.8Å; E47-Y81 WeakPolarHBondContact OE2-CE2 3.37Å; E47-Y81 PolarHBondContact OE2-OH 3.27Å; L66-Y81 HydrophobicContact CD2-CD1 3.32Å; L66-Y81 HydrophobicContact CD2-CD2 3.49Å; L66-Y81 VanDerWaalsContact CD2-CD2 3.49Å; L66-Y81 HydrophobicContact CD2-CE1 3.9Å; L66-Y81 HydrophobicContact CD2-CE2 3.99Å; L66-Y81 HydrophobicContact CD2-CG 3.14Å; T68-Y81 HydrophobicContact CG2-CD2 4.3Å; M77-Y81 HydrophobicContact CE-CE2 4.03Å; M77-Y81 HydrophobicContact CG-CD2 4.41Å; M77-Y81 HydrophobicContact CG-CE2 3.59Å; M77-Y81 VanDerWaalsContact O-CD2 3.23Å; M77-Y81 WeakPolarHBondContact O-CD2 3.31Å; M77-Y81 PolarHBondContact O-N 2.85Å; M77-Y81 HydrophobicContact SD-CE2 4.27Å; R78-Y81 PolarHBondContact O-N 2.98Å; E79-Y81 VanDerWaalsContact C-N 3.32Å; E79-Y81 PolarHBondContact O-N 3.43Å; Y81-R83 PolarHBondContact O-N 3.11Å; Y81-T84 PolarHBondContact O-N 3.43Å; Y81-T84 VanDerWaalsContact O-N 3.15Å; Y81-T84 PolarHBondContact O-OG1 3Å; Y81-G85 PolarHBondContact O-N 2.95Å
82M96.2Very high94.5Very high0 Ų044.9 Ų44.90%023%0.227CC..Hα-helixtrans-60.7-32.2170.8-69.8172.7-175.600112.1V19 R78 E79 T84 F88 F106 L109 I110 V113 K114V19-M82 HydrophobicContact CB-CE 4.36Å; V19-M82 HydrophobicContact CG1-CE 3.91Å; R78-M82 WeakPolarHBondContact O-CG 3.25Å; R78-M82 PolarHBondContact O-N 3.13Å; E79-M82 PolarHBondContact O-N 3.29Å; M82-T84 VanDerWaalsContact C-N 3.34Å; M82-T84 PolarHBondContact O-N 2.63Å; M82-F88 HydrophobicContact CB-CE1 4.09Å; M82-F88 HydrophobicContact CB-CZ 4.16Å; M82-F88 HydrophobicContact CG-CD1 4.46Å; M82-F88 HydrophobicContact CG-CE1 3.76Å; M82-F88 HydrophobicContact CG-CZ 4.29Å; M82-F88 WeakPolarHBondContact O-CZ 3.33Å; M82-F106 HydrophobicContact CE-CD1 4.08Å; M82-L109 HydrophobicContact CE-CD2 4.02Å; M82-L109 HydrophobicContact CE-CG 4.41Å; M82-L109 HydrophobicContact SD-CB 4.45Å; M82-L109 HydrophobicContact SD-CD2 3.85Å; M82-L109 HydrophobicContact SD-CG 3.73Å; M82-I110 HydrophobicContact CE-CG1 4.1Å; M82-I110 HydrophobicContact CG-CG1 4.14Å; M82-I110 HydrophobicContact SD-CG1 3.92Å; M82-V113 HydrophobicContact CB-CB 4.18Å; M82-V113 HydrophobicContact CB-CG1 3.76Å; M82-K114 WeakPolarHBondContact O-CE 3.22Å; M82-K114 PolarHBondContact O-NZ 2.93Å
83R96.1Very high95Very high144 Ų14441.1 Ų41.154%0.54321%0.209SC..Hα-helixtrans-63.6-40.7174.3-66.9178.3-168.2122.58.6111.9E79 Q80 Y81 V113 K114E79-R83 PolarHBondContact O-N 3.27Å; E79-R83 VanDerWaalsContact O-N 3.1Å; Q80-R83 WeakPolarHBondContact O-CB 3.3Å; Q80-R83 PolarHBondContact O-N 2.92Å; Q80-R83 VanDerWaalsContact O-N 3.16Å; Y81-R83 PolarHBondContact O-N 3.11Å; R83-V113 HydrophobicContact CB-CG1 4.18Å; R83-V113 HydrophobicContact CG-CG1 3.31Å; R83-K114 PolarHBondContact O-NZ 3.06Å
84T95.2Very high95.5Very high78 Ų7833.8 Ų33.848%0.47918%0.175SC..Hα-helixtrans-93.8-17.5-172.1560000115.6Y81 M82Y81-T84 PolarHBondContact O-N 3.43Å; Y81-T84 VanDerWaalsContact O-N 3.15Å; Y81-T84 PolarHBondContact O-OG1 3Å; M82-T84 VanDerWaalsContact C-N 3.34Å; M82-T84 PolarHBondContact O-N 2.63Å
85G97.6Very high95.9Very high1 Ų131.8 Ų31.81%0.0117%0.168CC..  trans-70.6136.9-176.700000114.3K15 Y81 K114K15-G85 CarbonylContact O-C 3.51Å; Y81-G85 PolarHBondContact O-N 2.95Å; G85-K114 WeakPolarHBondContact O-CE 3.44Å; G85-K114 PolarHBondContact O-NZ 3.17Å
86D98Very high96.3Very high60 Ų6032.5 Ų32.532%0.32117%0.169SC..SBendtrans-80-22.3176.4-63.3-45.6000112.7K15 F119 I175K15-D86 PolarHBondContact N-OD2 3.3Å; K15-D86 PolarHBondContact O-N 3.36Å; D86-F119 VanDerWaalsContact O-CE1 3.25Å; D86-F119 WeakPolarHBondContact O-CE1 3.42Å; D86-I175 HydrophobicContact CB-CD1 4.03Å; D86-I175 WeakPolarHBondContact O-CG1 3.23Å
87G98.5Very high96.7Very high0 Ų034.3 Ų34.30%016%0.163CC..EExtended strand (participates in β ladder)trans-165.6164.9172.500000112.8K15 V17 P120K15-G87 PolarHBondContact O-N 3Å; V17-G87 PolarHBondContact N-O 3.06Å; G87-P120 CarbonylContact C-O 3.59Å; G87-P120 WeakPolarHBondContact CA-O 3.38Å
88F98.8Very high97Very high0 Ų034.2 Ų34.20%017%0.169CC..EExtended strand (participates in β ladder)trans-127.7137.8-171.7-56.2-91.1000113.7V17 V19 M82 I110 F119 P120 M121 I122V17-F88 HydrophobicContact CB-CD1 3.67Å; V17-F88 HydrophobicContact CB-CE1 3.67Å; V17-F88 HydrophobicContact CG1-CD1 4.24Å; V17-F88 HydrophobicContact CG1-CE1 4.17Å; V17-F88 HydrophobicContact CG2-CD1 4.44Å; V17-F88 HydrophobicContact CG2-CE1 3.98Å; V17-F88 VanDerWaalsContact O-CA 3.3Å; V17-F88 WeakPolarHBondContact O-CA 3.33Å; V19-F88 HydrophobicContact CG1-CD1 4.38Å; M82-F88 HydrophobicContact CB-CE1 4.09Å; M82-F88 HydrophobicContact CB-CZ 4.16Å; M82-F88 HydrophobicContact CG-CD1 4.46Å; M82-F88 HydrophobicContact CG-CE1 3.76Å; M82-F88 HydrophobicContact CG-CZ 4.29Å; M82-F88 WeakPolarHBondContact O-CZ 3.33Å; F88-I110 HydrophobicContact CB-CD1 3.76Å; F88-I110 HydrophobicContact CD1-CD1 3.99Å; F88-I110 HydrophobicContact CD1-CG1 4.16Å; F88-I110 HydrophobicContact CD2-CD1 4.08Å; F88-I110 HydrophobicContact CD2-CG1 4.25Å; F88-I110 HydrophobicContact CD2-CG2 3.53Å; F88-I110 HydrophobicContact CE1-CG1 4.45Å; F88-I110 HydrophobicContact CE2-CG1 4.5Å; F88-I110 HydrophobicContact CE2-CG2 3.54Å; F88-I110 HydrophobicContact CG-CD1 3.65Å; F88-I110 HydrophobicContact CG-CG1 4.09Å; F88-I110 HydrophobicContact CG-CG2 4.22Å; F88-I110 HydrophobicContact CZ-CG2 4.26Å; F88-F119 AromaticContact CD2-CD1 3.81Å; F88-F119 HydrophobicContact CD2-CD1 3.81Å; F88-F119 HydrophobicContact CD2-CE1 4.04Å; F88-F119 AromaticContact CE2-CD1 3.55Å; F88-F119 HydrophobicContact CE2-CD1 3.55Å; F88-F119 AromaticContact CE2-CE1 3.49Å; F88-F119 HydrophobicContact CE2-CE1 3.49Å; F88-F119 VanDerWaalsContact CE2-CE1 3.49Å; F88-P120 PolarHBondContact N-O 2.86Å; F88-M121 HydrophobicContact CB-CG 4.14Å; F88-M121 HydrophobicContact CD2-CG 4.24Å; F88-M121 CarbonylContact O-C 3.57Å; F88-M121 VanDerWaalsContact O-CA 3.27Å; F88-M121 WeakPolarHBondContact O-CA 3.4Å; F88-I122 PolarHBondContact O-N 2.86Å
89L98.9Very high97.4Very high2 Ų234 Ų341%0.0117%0.168CC..EExtended strand (participates in β ladder)trans-95.4114.8159.6-63.7176.4000107.6V17 V18 V19 V91 I122 V124 A167 F168 L171V17-L89 PolarHBondContact O-N 3.16Å; V18-L89 HydrophobicContact CG1-CB 4.34Å; V18-L89 HydrophobicContact CG2-CD1 4.28Å; V19-L89 PolarHBondContact N-O 2.93Å; L89-V91 HydrophobicContact CB-CG2 4.28Å; L89-I122 HydrophobicContact CD2-CB 4.03Å; L89-I122 HydrophobicContact CD2-CG2 4.47Å; L89-V124 HydrophobicContact CB-CG2 4.12Å; L89-V124 HydrophobicContact CD2-CG2 3.8Å; L89-V124 HydrophobicContact CG-CG2 4.43Å; L89-A167 HydrophobicContact CD2-CB 4.42Å; L89-F168 HydrophobicContact CD1-CD1 3.67Å; L89-F168 HydrophobicContact CD1-CD2 4.38Å; L89-F168 HydrophobicContact CD1-CE1 3.43Å; L89-F168 VanDerWaalsContact CD1-CE1 3.43Å; L89-F168 HydrophobicContact CD1-CE2 4.17Å; L89-F168 HydrophobicContact CD1-CG 4.14Å; L89-F168 HydrophobicContact CD1-CZ 3.71Å; L89-L171 HydrophobicContact CD2-CB 4.19Å; L89-L171 HydrophobicContact CD2-CD2 3.97Å; L89-L171 HydrophobicContact CG-CD2 3.87Å
90I98.8Very high97.7Very high0 Ų032.8 Ų32.80%016%0.162CC..EExtended strand (participates in β ladder)trans-93107.2171.9-54.5174.9000107V19 V103 F106 H107 I110 M121 I122 L123 V124V19-I90 HydrophobicContact CG2-CB 4.45Å; V19-I90 HydrophobicContact CG2-CG1 4.02Å; I90-V103 HydrophobicContact CG2-CG1 4.2Å; I90-V103 HydrophobicContact CG2-CG2 4.31Å; I90-F106 HydrophobicContact CG2-CB 3.94Å; I90-H107 HydrophobicContact CD1-CB 4.05Å; I90-I110 HydrophobicContact CD1-CD1 3.89Å; I90-I110 HydrophobicContact CG1-CD1 3.95Å; I90-M121 HydrophobicContact CD1-SD 4.03Å; I90-I122 PolarHBondContact N-O 2.81Å; I90-L123 HydrophobicContact CB-CD1 4.42Å; I90-L123 HydrophobicContact CG2-CD1 4.35Å; I90-V124 PolarHBondContact O-N 2.93Å
91V98.9Very high97.9Very high1 Ų132.3 Ų32.31%0.00616%0.16CC..EExtended strand (participates in β ladder)trans-102.3128.4-172.6-1700000110.1V18 V19 G20 V24 K26 L29 L89 V124 N126V18-V91 HydrophobicContact CG1-CG2 3.6Å; V19-V91 PolarHBondContact O-N 2.99Å; G20-V91 WeakPolarHBondContact CA-O 3.43Å; V24-V91 HydrophobicContact CB-CG1 4.37Å; V24-V91 HydrophobicContact CG2-CB 4Å; V24-V91 HydrophobicContact CG2-CG1 3.84Å; K26-V91 HydrophobicContact CG-CB 4.19Å; K26-V91 HydrophobicContact CG-CG2 4.32Å; L29-V91 HydrophobicContact CD1-CG1 3.86Å; L29-V91 HydrophobicContact CD1-CG2 4.19Å; L89-V91 HydrophobicContact CB-CG2 4.28Å; V91-V124 WeakPolarHBondContact CA-O 3.23Å; V91-V124 HydrophobicContact CG1-CB 4.5Å; V91-V124 HydrophobicContact CG1-CG1 4.37Å; V91-V124 HydrophobicContact CG2-CB 4.15Å; V91-V124 HydrophobicContact CG2-CG1 4.47Å; V91-N126 HydrophobicContact CG1-CB 3.8Å
92Y98.8Very high98.1Very high0 Ų034.2 Ų34.20%017%0.17CC..EExtended strand (participates in β ladder)trans-124.5159165.677.9-85.7000109.8V94 S99 F100 V103 L123 V124 A125 N126 I136 G141 Y152Y92-V94 HydrophobicContact CE2-CG1 4.17Å; Y92-S99 WeakPolarHBondContact CB-O 3.3Å; Y92-F100 HydrophobicContact CD1-CD2 4.31Å; Y92-F100 HydrophobicContact CD2-CB 3.76Å; Y92-F100 AromaticContact CD2-CD2 3.94Å; Y92-F100 HydrophobicContact CD2-CD2 3.94Å; Y92-F100 HydrophobicContact CD2-CG 4.32Å; Y92-F100 HydrophobicContact CE1-CD2 4.06Å; Y92-F100 HydrophobicContact CE2-CB 4.15Å; Y92-F100 AromaticContact CE2-CD2 3.68Å; Y92-F100 HydrophobicContact CE2-CD2 3.68Å; Y92-F100 HydrophobicContact CE2-CG 4.29Å; Y92-F100 HydrophobicContact CG-CB 4.28Å; Y92-F100 HydrophobicContact CG-CD2 4.24Å; Y92-F100 AromaticContact CZ-CD2 3.72Å; Y92-V103 HydrophobicContact CD1-CG2 4.13Å; Y92-V103 HydrophobicContact CG-CG2 4.33Å; Y92-L123 HydrophobicContact CD1-CD1 3.75Å; Y92-L123 HydrophobicContact CD1-CG 4.31Å; Y92-L123 HydrophobicContact CE1-CD1 3.98Å; Y92-L123 HydrophobicContact CE1-CD2 4.31Å; Y92-L123 HydrophobicContact CE1-CG 4.04Å; Y92-V124 WeakPolarHBondContact CD1-O 3.35Å; Y92-V124 PolarHBondContact N-O 2.93Å; Y92-A125 HydrophobicContact CD1-CB 4.49Å; Y92-A125 HydrophobicContact CE1-CB 3.62Å; Y92-A125 HydrophobicContact CE2-CB 4.22Å; Y92-A125 VanDerWaalsContact CZ-CB 3.46Å; Y92-A125 WeakPolarHBondContact OH-CB 3.21Å; Y92-N126 PolarHBondContact O-N 3.2Å; Y92-I136 HydrophobicContact CE2-CB 4.08Å; Y92-I136 HydrophobicContact CE2-CG1 4.32Å; Y92-I136 HydrophobicContact CE2-CG2 3.9Å; Y92-G141 WeakPolarHBondContact OH-CA 3.47Å; Y92-Y152 HydrophobicContact CE1-CE2 4.35Å
93S98.7Very high98.2Very high2 Ų234.3 Ų34.31%0.01417%0.171CC..EExtended strand (participates in β ladder)trans-94.2131.8173.4179.20000110.1T95 D96 S99 K127S93-T95 PolarHBondContact O-N 3.09Å; S93-T95 PolarHBondContact OG-N 3.5Å; S93-T95 PolarHBondContact OG-OG1 3.3Å; S93-D96 PolarHBondContact O-N 3.45Å; S93-D96 VanDerWaalsContact O-O 3.13Å; S93-S99 PolarHBondContact N-OG 3.32Å; S93-K127 WeakPolarHBondContact OG-CD 3.45Å
94V98.8Very high98.3Very high0 Ų029.3 Ų29.30%016%0.155CC..THydrogen-bonded Turntrans-63.8-14.8174-59.20000113Y92 A125 N126 K127 V128 R134 K135 I136Y92-V94 HydrophobicContact CE2-CG1 4.17Å; V94-A125 HydrophobicContact CG1-CB 3.82Å; V94-N126 WeakPolarHBondContact CG2-O 3.46Å; V94-N126 PolarHBondContact N-O 3.38Å; V94-K127 VanDerWaalsContact CG2-O 3.31Å; V94-K127 WeakPolarHBondContact CG2-O 3.26Å; V94-V128 HydrophobicContact CG1-CG1 3.86Å; V94-V128 HydrophobicContact CG2-CG1 4.31Å; V94-R134 HydrophobicContact CB-CG 4.25Å; V94-R134 HydrophobicContact CG2-CB 4.47Å; V94-R134 HydrophobicContact CG2-CG 4.37Å; V94-K135 PolarHBondContact O-N 3.38Å; V94-I136 PolarHBondContact O-N 2.97Å; V94-I136 VanDerWaalsContact O-N 3.13Å
95T98.4Very high98.4Very high26 Ų2631.2 Ų31.216%0.1615%0.153CC..THydrogen-bonded Turntrans-90.8-5.3176730000113.6S93 K127 L130 L133 K135S93-T95 PolarHBondContact O-N 3.09Å; S93-T95 PolarHBondContact OG-N 3.5Å; S93-T95 PolarHBondContact OG-OG1 3.3Å; T95-K127 HydrophobicContact CG2-CB 4.48Å; T95-L130 HydrophobicContact CG2-CB 3.67Å; T95-L130 HydrophobicContact CG2-CD1 3.9Å; T95-L130 HydrophobicContact CG2-CG 4.42Å; T95-L133 WeakPolarHBondContact CA-O 3.4Å; T95-L133 HydrophobicContact CG2-CB 3.75Å; T95-K135 VanDerWaalsContact O-CD 3.23Å; T95-K135 WeakPolarHBondContact O-CD 3.39Å; T95-K135 VanDerWaalsContact O-CE 3.24Å; T95-K135 WeakPolarHBondContact O-CE 3.31Å
96D98.3Very high98.4Very high54 Ų5431.8 Ų31.829%0.28916%0.155SC..  trans-128.9103.8-174.6-175.2-2.4000111.1S93 A98 S99 F100S93-D96 PolarHBondContact O-N 3.45Å; S93-D96 VanDerWaalsContact O-O 3.13Å; D96-A98 VanDerWaalsContact C-N 3.34Å; D96-A98 PolarHBondContact O-N 3.1Å; D96-A98 PolarHBondContact OD1-N 3.04Å; D96-S99 PolarHBondContact O-N 3.19Å; D96-S99 PolarHBondContact O-OG 2.95Å; D96-S99 PolarHBondContact OD1-N 2.77Å; D96-F100 PolarHBondContact O-N 3.38Å
97K98.2Very high98.4Very high112 Ų11229.6 Ų29.649%0.48714%0.143SC..Hα-helixtrans-65.5-35.4-179.4-176.5178.3-173.2-146.60112.8S99 F100 E101 I136K97-S99 VanDerWaalsContact C-N 3.33Å; K97-S99 PolarHBondContact O-N 2.61Å; K97-F100 WeakPolarHBondContact O-CB 3.29Å; K97-F100 PolarHBondContact O-N 3Å; K97-E101 WeakPolarHBondContact CE-OE1 3.46Å; K97-E101 HydrophobicContact CG-CG 4.48Å; K97-E101 IonicContact NZ-OE1 3.36Å; K97-E101 PolarHBondContact NZ-OE1 3.15Å; K97-E101 WeakPolarHBondContact O-CG 3.42Å; K97-E101 PolarHBondContact O-N 3.11Å; K97-I136 HydrophobicContact CB-CD1 4.07Å; K97-I136 HydrophobicContact CG-CD1 3.91Å
98A98.2Very high98.4Very high41 Ų4135.7 Ų35.734%0.33917%0.172SC..Hα-helixtrans-64.2-43.2179.500000110.4D96 F100 E101 H102D96-A98 VanDerWaalsContact C-N 3.34Å; D96-A98 PolarHBondContact O-N 3.1Å; D96-A98 PolarHBondContact OD1-N 3.04Å; A98-F100 PolarHBondContact O-N 3.04Å; A98-E101 PolarHBondContact O-N 3.12Å; A98-H102 PolarHBondContact O-N 3.39Å
99S98.4Very high98.3Very high2 Ų236.8 Ų36.81%0.01418%0.177CC..Hα-helixtrans-59.7-31.5176.377.90000113.7D21 V24 Y92 S93 D96 K97D21-S99 WeakPolarHBondContact OD2-CA 3.29Å; V24-S99 VanDerWaalsContact CG1-CB 3.5Å; Y92-S99 WeakPolarHBondContact CB-O 3.3Å; S93-S99 PolarHBondContact N-OG 3.32Å; D96-S99 PolarHBondContact O-N 3.19Å; D96-S99 PolarHBondContact O-OG 2.95Å; D96-S99 PolarHBondContact OD1-N 2.77Å; K97-S99 VanDerWaalsContact C-N 3.33Å; K97-S99 PolarHBondContact O-N 2.61Å
100F98.8Very high98.3Very high23 Ų2336.7 Ų36.710%0.10118%0.177CC..Hα-helixtrans-73.4-42.2174.2174.9-104.1000111.9Y92 D96 K97 A98 H102 V103 I136 Q140 M144Y92-F100 HydrophobicContact CD1-CD2 4.31Å; Y92-F100 HydrophobicContact CD2-CB 3.76Å; Y92-F100 AromaticContact CD2-CD2 3.94Å; Y92-F100 HydrophobicContact CD2-CD2 3.94Å; Y92-F100 HydrophobicContact CD2-CG 4.32Å; Y92-F100 HydrophobicContact CE1-CD2 4.06Å; Y92-F100 HydrophobicContact CE2-CB 4.15Å; Y92-F100 AromaticContact CE2-CD2 3.68Å; Y92-F100 HydrophobicContact CE2-CD2 3.68Å; Y92-F100 HydrophobicContact CE2-CG 4.29Å; Y92-F100 HydrophobicContact CG-CB 4.28Å; Y92-F100 HydrophobicContact CG-CD2 4.24Å; Y92-F100 AromaticContact CZ-CD2 3.72Å; D96-F100 PolarHBondContact O-N 3.38Å; K97-F100 WeakPolarHBondContact O-CB 3.29Å; K97-F100 PolarHBondContact O-N 3Å; A98-F100 PolarHBondContact O-N 3.04Å; F100-H102 PolarHBondContact O-N 2.76Å; F100-V103 VanDerWaalsContact O-CB 3.29Å; F100-V103 WeakPolarHBondContact O-CB 3.47Å; F100-V103 VanDerWaalsContact O-CG2 3.31Å; F100-V103 WeakPolarHBondContact O-CG2 3.45Å; F100-V103 PolarHBondContact O-N 2.78Å; F100-I136 HydrophobicContact CB-CD1 4.02Å; F100-I136 HydrophobicContact CB-CG1 3.91Å; F100-I136 HydrophobicContact CD1-CD1 3.88Å; F100-I136 HydrophobicContact CD1-CG1 4.45Å; F100-I136 HydrophobicContact CD1-CG2 4.26Å; F100-I136 HydrophobicContact CD2-CG2 3.86Å; F100-I136 HydrophobicContact CE1-CG2 4.4Å; F100-I136 HydrophobicContact CE2-CG2 4.01Å; F100-I136 HydrophobicContact CG-CD1 4.04Å; F100-I136 HydrophobicContact CG-CG1 4.12Å; F100-I136 HydrophobicContact CG-CG2 3.97Å; F100-I136 HydrophobicContact CZ-CG2 4.27Å; F100-Q140 HydrophobicContact CZ-CB 4.07Å; F100-Q140 WeakPolarHBondContact CZ-O 3.32Å; F100-M144 HydrophobicContact CD1-CE 4.39Å; F100-M144 HydrophobicContact CD2-CE 4.49Å; F100-M144 HydrophobicContact CE1-CE 3.86Å; F100-M144 HydrophobicContact CE2-CB 3.65Å; F100-M144 HydrophobicContact CE2-CE 3.98Å; F100-M144 HydrophobicContact CE2-CG 3.98Å; F100-M144 HydrophobicContact CZ-CB 3.78Å; F100-M144 HydrophobicContact CZ-CE 3.65Å; F100-M144 HydrophobicContact CZ-CG 4.29Å
101E98.1Very high98.3Very high100 Ų10038 Ų3847%0.46718%0.184SC..Hα-helixtrans-62.8-32.1176.7-69.9170.4177.100111.7K97 A98 V103K97-E101 WeakPolarHBondContact CE-OE1 3.46Å; K97-E101 HydrophobicContact CG-CG 4.48Å; K97-E101 IonicContact NZ-OE1 3.36Å; K97-E101 PolarHBondContact NZ-OE1 3.15Å; K97-E101 WeakPolarHBondContact O-CG 3.42Å; K97-E101 PolarHBondContact O-N 3.11Å; A98-E101 PolarHBondContact O-N 3.12Å; E101-V103 VanDerWaalsContact C-N 3.31Å; E101-V103 PolarHBondContact O-N 3.37Å
102H98.1Very high98.2Very high73 Ų7345.8 Ų45.834%0.33821%0.213SC..THydrogen-bonded Turntrans-76.8-8.4176.8-64.7162.4000115D21 A98 F100 D104 R105 F106D21-H102 IonicContact OD1-CG 3.09Å; D21-H102 IonicContact OD1-ND1 3.79Å; D21-H102 PolarHBondContact OD1-ND1 2.79Å; D21-H102 IonicContact OD2-CE1 2.74Å; D21-H102 IonicContact OD2-CG 3.04Å; D21-H102 IonicContact OD2-ND1 3.1Å; D21-H102 PolarHBondContact OD2-ND1 2.9Å; A98-H102 PolarHBondContact O-N 3.39Å; F100-H102 PolarHBondContact O-N 2.76Å; H102-D104 VanDerWaalsContact C-N 3.25Å; H102-D104 PolarHBondContact O-N 3.25Å; H102-R105 WeakPolarHBondContact O-CB 3.11Å; H102-R105 PolarHBondContact O-N 3Å; H102-F106 HydrophobicContact CB-CD2 4.46Å; H102-F106 HydrophobicContact CB-CE2 4.3Å; H102-F106 WeakPolarHBondContact O-CD2 3.25Å; H102-F106 PolarHBondContact O-N 3.34Å; H102-F106 VanDerWaalsContact O-N 3.11Å
103V98.6Very high98.1Very high1 Ų147.1 Ų47.11%0.00622%0.221CC..Hα-helixtrans-55.6-42.5176.5168.80000111.5I90 Y92 F100 E101 R105 F106 H107 L123 M144I90-V103 HydrophobicContact CG2-CG1 4.2Å; I90-V103 HydrophobicContact CG2-CG2 4.31Å; Y92-V103 HydrophobicContact CD1-CG2 4.13Å; Y92-V103 HydrophobicContact CG-CG2 4.33Å; F100-V103 VanDerWaalsContact O-CB 3.29Å; F100-V103 WeakPolarHBondContact O-CB 3.47Å; F100-V103 VanDerWaalsContact O-CG2 3.31Å; F100-V103 WeakPolarHBondContact O-CG2 3.45Å; F100-V103 PolarHBondContact O-N 2.78Å; E101-V103 VanDerWaalsContact C-N 3.31Å; E101-V103 PolarHBondContact O-N 3.37Å; V103-R105 PolarHBondContact O-N 3.27Å; V103-F106 PolarHBondContact O-N 3.35Å; V103-H107 WeakPolarHBondContact O-CB 3.31Å; V103-H107 PolarHBondContact O-N 3.37Å; V103-L123 HydrophobicContact CB-CD1 4.36Å; V103-L123 HydrophobicContact CG1-CD1 3.58Å; V103-L123 HydrophobicContact CG1-CD2 4.37Å; V103-L123 HydrophobicContact CG2-CD1 3.77Å; V103-M144 HydrophobicContact CB-CE 4.42Å; V103-M144 HydrophobicContact CB-CG 4.31Å; V103-M144 HydrophobicContact CB-SD 4.42Å; V103-M144 HydrophobicContact CG1-CG 3.74Å; V103-M144 HydrophobicContact CG1-SD 4.11Å
104D98Very high98Very high39 Ų3948.7 Ų48.721%0.20923%0.228CC..Hα-helixtrans-55-43.3176.6-80.3-32.7000111.5H102 Q108 K147 H148H102-D104 VanDerWaalsContact C-N 3.25Å; H102-D104 PolarHBondContact O-N 3.25Å; D104-Q108 WeakPolarHBondContact O-CB 3.42Å; D104-Q108 VanDerWaalsContact O-CG 3.26Å; D104-Q108 WeakPolarHBondContact O-CG 3.08Å; D104-Q108 PolarHBondContact O-N 3.45Å; D104-K147 WeakPolarHBondContact OD1-CE 3.43Å; D104-K147 IonicContact OD1-NZ 3.82Å; D104-K147 PolarHBondContact OD1-NZ 2.83Å; D104-K147 IonicContact OD2-NZ 2.77Å; D104-K147 PolarHBondContact OD2-NZ 3.08Å; D104-H148 IonicContact OD1-CD2 3.88Å; D104-H148 IonicContact OD1-CE1 3.98Å; D104-H148 PolarHBondContact OD1-CE1 2.88Å; D104-H148 IonicContact OD1-NE2 3.19Å; D104-H148 PolarHBondContact OD1-NE2 3.08Å
105R97Very high97.9Very high119 Ų11955.7 Ų55.745%0.44927%0.265SS..Hα-helixtrans-66.3-46.2-179.6-175.9-175.2179.4-157.6-3.4111.6E72 H102 V103 L109E72-R105 VanDerWaalsContact CD-NH1 3.27Å; E72-R105 IonicContact OE1-CZ 3.01Å; E72-R105 IonicContact OE1-NH1 2.64Å; E72-R105 PolarHBondContact OE1-NH1 3.4Å; E72-R105 IonicContact OE1-NH2 2.81Å; E72-R105 PolarHBondContact OE1-NH2 3.2Å; E72-R105 IonicContact OE2-CZ 3.71Å; E72-R105 IonicContact OE2-NH1 3.84Å; E72-R105 PolarHBondContact OE2-NH1 2.93Å; H102-R105 WeakPolarHBondContact O-CB 3.11Å; H102-R105 PolarHBondContact O-N 3Å; V103-R105 PolarHBondContact O-N 3.27Å; R105-L109 VanDerWaalsContact O-CB 3.22Å; R105-L109 WeakPolarHBondContact O-CB 3.34Å; R105-L109 PolarHBondContact O-N 3.13Å
106F97.8Very high97.8Very high12 Ų1262.4 Ų62.45%0.05329%0.287CS..Hα-helixtrans-62.2-44.9177.2-78.2-73.8000111.7V19 G20 D21 M82 I90 H102 V103 L109 I110V19-F106 HydrophobicContact CB-CD1 4.03Å; V19-F106 HydrophobicContact CB-CE1 4.23Å; V19-F106 HydrophobicContact CG2-CD1 3.99Å; V19-F106 HydrophobicContact CG2-CG 4.42Å; G20-F106 VanDerWaalsContact C-CZ 3.49Å; D21-F106 WeakPolarHBondContact OD1-CE2 3.48Å; M82-F106 HydrophobicContact CE-CD1 4.08Å; I90-F106 HydrophobicContact CG2-CB 3.94Å; H102-F106 HydrophobicContact CB-CD2 4.46Å; H102-F106 HydrophobicContact CB-CE2 4.3Å; H102-F106 WeakPolarHBondContact O-CD2 3.25Å; H102-F106 PolarHBondContact O-N 3.34Å; H102-F106 VanDerWaalsContact O-N 3.11Å; V103-F106 PolarHBondContact O-N 3.35Å; F106-L109 PolarHBondContact O-N 3.45Å; F106-I110 WeakPolarHBondContact O-CD1 3.27Å; F106-I110 VanDerWaalsContact O-CG1 3.3Å; F106-I110 WeakPolarHBondContact O-CG1 3.46Å; F106-I110 PolarHBondContact O-N 3.39Å
107H98.6Very high97.6Very high15 Ų1568.9 Ų68.97%0.06932%0.316CS..Hα-helixtrans-59.8-51.2178.6178-95.1000111.8I90 V103 L109 I110 L111 M121 H148I90-H107 HydrophobicContact CD1-CB 4.05Å; V103-H107 WeakPolarHBondContact O-CB 3.31Å; V103-H107 PolarHBondContact O-N 3.37Å; H107-L109 VanDerWaalsContact C-N 3.3Å; H107-L109 PolarHBondContact O-N 2.97Å; H107-I110 PolarHBondContact O-N 2.96Å; H107-L111 WeakPolarHBondContact CE1-CD1 3.32Å; H107-L111 PolarHBondContact O-N 3.44Å; H107-L111 VanDerWaalsContact O-N 3.1Å; H107-M121 WeakPolarHBondContact CD2-CE 3.35Å; H107-M121 VanDerWaalsContact CD2-SD 3.56Å; H107-M121 VanDerWaalsContact NE2-CE 3.31Å; H107-M121 WeakPolarHBondContact NE2-CE 3.06Å; H107-H148 AromaticContact CD2-CG 3.91Å; H107-H148 AromaticContact CE1-CG 3.84Å; H107-H148 AromaticContact CE1-ND1 3.38Å; H107-H148 PolarHBondContact CE1-ND1 2.96Å; H107-H148 AromaticContact CG-CG 3.75Å; H107-H148 AromaticContact CG-ND1 3.6Å; H107-H148 AromaticContact ND1-CE1 3.67Å; H107-H148 AromaticContact ND1-CG 3.73Å; H107-H148 AromaticContact ND1-ND1 3.13Å; H107-H148 PolarHBondContact ND1-ND1 2.83Å; H107-H148 VanDerWaalsContact ND1-ND1 3.13Å; H107-H148 AromaticContact NE2-CG 3.99Å; H107-H148 AromaticContact NE2-ND1 4Å
108Q98Very high97.5Very high127 Ų12767.1 Ų67.159%0.59332%0.318SS*.Hα-helixtrans-60.8-40177.7-72.8175.4-5.600112.3D104 L111 R112D104-Q108 WeakPolarHBondContact O-CB 3.42Å; D104-Q108 VanDerWaalsContact O-CG 3.26Å; D104-Q108 WeakPolarHBondContact O-CG 3.08Å; D104-Q108 PolarHBondContact O-N 3.45Å; Q108-L111 PolarHBondContact O-N 3.27Å; Q108-R112 VanDerWaalsContact O-CB 3.32Å; Q108-R112 WeakPolarHBondContact O-CB 3.45Å; Q108-R112 PolarHBondContact O-N 3.12Å
109L97.3Very high97.5Very high23 Ų2366.6 Ų66.612%0.1231%0.308CS..Hα-helixtrans-64.1-44.1178.7-177.658.6000111.7E79 M82 R105 F106 H107 R112 V113E79-L109 HydrophobicContact CG-CD1 4.03Å; E79-L109 HydrophobicContact CG-CD2 4.13Å; E79-L109 HydrophobicContact CG-CG 4.38Å; M82-L109 HydrophobicContact CE-CD2 4.02Å; M82-L109 HydrophobicContact CE-CG 4.41Å; M82-L109 HydrophobicContact SD-CB 4.45Å; M82-L109 HydrophobicContact SD-CD2 3.85Å; M82-L109 HydrophobicContact SD-CG 3.73Å; R105-L109 VanDerWaalsContact O-CB 3.22Å; R105-L109 WeakPolarHBondContact O-CB 3.34Å; R105-L109 PolarHBondContact O-N 3.13Å; F106-L109 PolarHBondContact O-N 3.45Å; H107-L109 VanDerWaalsContact C-N 3.3Å; H107-L109 PolarHBondContact O-N 2.97Å; L109-R112 PolarHBondContact O-N 3.41Å; L109-V113 HydrophobicContact CD1-CG2 3.99Å; L109-V113 HydrophobicContact CG-CG2 4.39Å; L109-V113 WeakPolarHBondContact O-CB 3.35Å; L109-V113 VanDerWaalsContact O-CG2 3.24Å; L109-V113 WeakPolarHBondContact O-CG2 3.4Å; L109-V113 PolarHBondContact O-N 3.03Å
110I98.3Very high97.5Very high0 Ų066.6 Ų66.60%031%0.308CS..Hα-helixtrans-58.8-51.3176.2-70.4160.3000110.3V19 M82 F88 I90 F106 H107 R112 V113 K114 F119 M121V19-I110 HydrophobicContact CG2-CD1 4.22Å; M82-I110 HydrophobicContact CE-CG1 4.1Å; M82-I110 HydrophobicContact CG-CG1 4.14Å; M82-I110 HydrophobicContact SD-CG1 3.92Å; F88-I110 HydrophobicContact CB-CD1 3.76Å; F88-I110 HydrophobicContact CD1-CD1 3.99Å; F88-I110 HydrophobicContact CD1-CG1 4.16Å; F88-I110 HydrophobicContact CD2-CD1 4.08Å; F88-I110 HydrophobicContact CD2-CG1 4.25Å; F88-I110 HydrophobicContact CD2-CG2 3.53Å; F88-I110 HydrophobicContact CE1-CG1 4.45Å; F88-I110 HydrophobicContact CE2-CG1 4.5Å; F88-I110 HydrophobicContact CE2-CG2 3.54Å; F88-I110 HydrophobicContact CG-CD1 3.65Å; F88-I110 HydrophobicContact CG-CG1 4.09Å; F88-I110 HydrophobicContact CG-CG2 4.22Å; F88-I110 HydrophobicContact CZ-CG2 4.26Å; I90-I110 HydrophobicContact CD1-CD1 3.89Å; I90-I110 HydrophobicContact CG1-CD1 3.95Å; F106-I110 WeakPolarHBondContact O-CD1 3.27Å; F106-I110 VanDerWaalsContact O-CG1 3.3Å; F106-I110 WeakPolarHBondContact O-CG1 3.46Å; F106-I110 PolarHBondContact O-N 3.39Å; H107-I110 PolarHBondContact O-N 2.96Å; I110-R112 VanDerWaalsContact C-N 3.33Å; I110-R112 PolarHBondContact O-N 2.62Å; I110-V113 PolarHBondContact O-N 3.49Å; I110-K114 HydrophobicContact CG2-CG 4.21Å; I110-K114 VanDerWaalsContact O-CB 3.27Å; I110-K114 WeakPolarHBondContact O-CB 3.33Å; I110-K114 VanDerWaalsContact O-CG 3.26Å; I110-K114 WeakPolarHBondContact O-CG 3.26Å; I110-K114 PolarHBondContact O-N 3.37Å; I110-F119 HydrophobicContact CG2-CD1 4.36Å; I110-M121 HydrophobicContact CB-SD 4.02Å; I110-M121 HydrophobicContact CD1-CG 4.44Å; I110-M121 HydrophobicContact CD1-SD 3.82Å; I110-M121 HydrophobicContact CG2-CG 4.36Å; I110-M121 HydrophobicContact CG2-SD 3.71Å
111L98.2Very high97.4Very high28 Ų2865.6 Ų65.615%0.14730%0.303CS..Hα-helixtrans-60.4-42.5-179.6-69.4-173.3000112.3H107 Q108 K114 D115 R116 F119 M121H107-L111 WeakPolarHBondContact CE1-CD1 3.32Å; H107-L111 PolarHBondContact O-N 3.44Å; H107-L111 VanDerWaalsContact O-N 3.1Å; Q108-L111 PolarHBondContact O-N 3.27Å; L111-K114 PolarHBondContact O-N 3.11Å; L111-D115 PolarHBondContact O-N 3.14Å; L111-R116 WeakPolarHBondContact CB-O 3.47Å; L111-R116 PolarHBondContact O-N 3.08Å; L111-F119 HydrophobicContact CD2-CB 3.98Å; L111-M121 HydrophobicContact CD2-CE 3.61Å; L111-M121 HydrophobicContact CG-CE 4.1Å
112R97.8Very high97.5Very high165 Ų16560.9 Ų60.962%0.62328%0.281SS*.Hα-helixtrans-61.2-47.8175.9-175.5-175.974.1173.76.3111.9E79 Q108 L109 I110 K114 D115E79-R112 IonicContact OE1-NH2 2.72Å; E79-R112 PolarHBondContact OE1-NH2 3.39Å; E79-R112 VanDerWaalsContact OE1-NH2 3.1Å; E79-R112 IonicContact OE2-NH2 3.24Å; Q108-R112 VanDerWaalsContact O-CB 3.32Å; Q108-R112 WeakPolarHBondContact O-CB 3.45Å; Q108-R112 PolarHBondContact O-N 3.12Å; L109-R112 PolarHBondContact O-N 3.41Å; I110-R112 VanDerWaalsContact C-N 3.33Å; I110-R112 PolarHBondContact O-N 2.62Å; R112-K114 VanDerWaalsContact C-N 3.3Å; R112-K114 PolarHBondContact O-N 2.91Å; R112-D115 PolarHBondContact O-N 2.95Å
113V97.2Very high97.5Very high28 Ų2857.4 Ų57.417%0.1727%0.265CS..Hα-helixtrans-68.5-32.7-178.9171.10000111.5E79 M82 R83 L109 I110E79-V113 HydrophobicContact CB-CG2 4.4Å; E79-V113 HydrophobicContact CG-CG2 4.27Å; M82-V113 HydrophobicContact CB-CB 4.18Å; M82-V113 HydrophobicContact CB-CG1 3.76Å; R83-V113 HydrophobicContact CB-CG1 4.18Å; R83-V113 HydrophobicContact CG-CG1 3.31Å; L109-V113 HydrophobicContact CD1-CG2 3.99Å; L109-V113 HydrophobicContact CG-CG2 4.39Å; L109-V113 WeakPolarHBondContact O-CB 3.35Å; L109-V113 VanDerWaalsContact O-CG2 3.24Å; L109-V113 WeakPolarHBondContact O-CG2 3.4Å; L109-V113 PolarHBondContact O-N 3.03Å; I110-V113 PolarHBondContact O-N 3.49Å
114K96.6Very high97.5Very high35 Ų3557.3 Ų57.315%0.15227%0.265CS..Hα-helixtrans-79.6-16.7176.3-72.2-59.1-167.4-1760114.3M82 R83 G85 I110 L111 R112 R116 F119M82-K114 WeakPolarHBondContact O-CE 3.22Å; M82-K114 PolarHBondContact O-NZ 2.93Å; R83-K114 PolarHBondContact O-NZ 3.06Å; G85-K114 WeakPolarHBondContact O-CE 3.44Å; G85-K114 PolarHBondContact O-NZ 3.17Å; I110-K114 HydrophobicContact CG2-CG 4.21Å; I110-K114 VanDerWaalsContact O-CB 3.27Å; I110-K114 WeakPolarHBondContact O-CB 3.33Å; I110-K114 VanDerWaalsContact O-CG 3.26Å; I110-K114 WeakPolarHBondContact O-CG 3.26Å; I110-K114 PolarHBondContact O-N 3.37Å; L111-K114 PolarHBondContact O-N 3.11Å; R112-K114 VanDerWaalsContact C-N 3.3Å; R112-K114 PolarHBondContact O-N 2.91Å; K114-R116 HydrophobicContact CB-CB 4.34Å; K114-R116 HydrophobicContact CB-CG 4.09Å; K114-R116 WeakPolarHBondContact O-CG 3.33Å; K114-F119 HydrophobicContact CB-CD2 4.02Å; K114-F119 HydrophobicContact CB-CE2 4.44Å; K114-F119 HydrophobicContact CB-CG 4.3Å; K114-F119 HydrophobicContact CD-CD1 4.43Å; K114-F119 HydrophobicContact CD-CD2 4.09Å; K114-F119 HydrophobicContact CD-CE1 4.14Å; K114-F119 HydrophobicContact CD-CE2 3.74Å; K114-F119 HydrophobicContact CD-CG 4.44Å; K114-F119 HydrophobicContact CD-CZ 3.79Å; K114-F119 HydrophobicContact CG-CD1 4.02Å; K114-F119 HydrophobicContact CG-CD2 3.8Å; K114-F119 HydrophobicContact CG-CE1 4.23Å; K114-F119 HydrophobicContact CG-CE2 3.99Å; K114-F119 HydrophobicContact CG-CG 3.83Å; K114-F119 HydrophobicContact CG-CZ 4.23Å
115D96.6Very high97.6Very high146 Ų14655.5 Ų55.578%0.78126%0.255SS*.THydrogen-bonded Turntrans53.853.3-172.3-167.933.2000111.3L111 R112L111-D115 PolarHBondContact O-N 3.14Å; R112-D115 PolarHBondContact O-N 2.95Å
116R95.4Very high97.7Very high167 Ų16750 Ų5063%0.6324%0.235SC*.  trans-142.4149.2-176.8-62.1-76.2178.1153.9-0.7110.7L111 K114 S118 F119L111-R116 WeakPolarHBondContact CB-O 3.47Å; L111-R116 PolarHBondContact O-N 3.08Å; K114-R116 HydrophobicContact CB-CB 4.34Å; K114-R116 HydrophobicContact CB-CG 4.09Å; K114-R116 WeakPolarHBondContact O-CG 3.33Å; R116-S118 WeakPolarHBondContact CB-O 3.41Å; R116-F119 HydrophobicContact CG-CD2 4.19Å
117E94.6Very high97.7Very high190 Ų19052 Ų5289%0.88824%0.244SC*.SBendtrans-78-22.9170.2-63.1-179.7167.800112.8
118S95.1Very high97.7Very high75 Ų7551.9 Ų51.952%0.52424%0.244SC..  trans-145.7147.1174.562.60000110.9R116R116-S118 WeakPolarHBondContact CB-O 3.41Å
119F97.9Very high97.6Very high31 Ų3148.6 Ų48.614%0.13623%0.23CC..  trans-150.6152.7179.9-157.9-97.4000110.3D86 F88 I110 L111 K114 R116 M121D86-F119 VanDerWaalsContact O-CE1 3.25Å; D86-F119 WeakPolarHBondContact O-CE1 3.42Å; F88-F119 AromaticContact CD2-CD1 3.81Å; F88-F119 HydrophobicContact CD2-CD1 3.81Å; F88-F119 HydrophobicContact CD2-CE1 4.04Å; F88-F119 AromaticContact CE2-CD1 3.55Å; F88-F119 HydrophobicContact CE2-CD1 3.55Å; F88-F119 AromaticContact CE2-CE1 3.49Å; F88-F119 HydrophobicContact CE2-CE1 3.49Å; F88-F119 VanDerWaalsContact CE2-CE1 3.49Å; I110-F119 HydrophobicContact CG2-CD1 4.36Å; L111-F119 HydrophobicContact CD2-CB 3.98Å; K114-F119 HydrophobicContact CB-CD2 4.02Å; K114-F119 HydrophobicContact CB-CE2 4.44Å; K114-F119 HydrophobicContact CB-CG 4.3Å; K114-F119 HydrophobicContact CD-CD1 4.43Å; K114-F119 HydrophobicContact CD-CD2 4.09Å; K114-F119 HydrophobicContact CD-CE1 4.14Å; K114-F119 HydrophobicContact CD-CE2 3.74Å; K114-F119 HydrophobicContact CD-CG 4.44Å; K114-F119 HydrophobicContact CD-CZ 3.79Å; K114-F119 HydrophobicContact CG-CD1 4.02Å; K114-F119 HydrophobicContact CG-CD2 3.8Å; K114-F119 HydrophobicContact CG-CE1 4.23Å; K114-F119 HydrophobicContact CG-CE2 3.99Å; K114-F119 HydrophobicContact CG-CG 3.83Å; K114-F119 HydrophobicContact CG-CZ 4.23Å; R116-F119 HydrophobicContact CG-CD2 4.19Å; F119-M121 HydrophobicContact CB-CE 4.18Å; F119-M121 WeakPolarHBondContact O-CE 3.49Å; F119-M121 PolarHBondContact O-N 2.83Å
120P98.5Very high97.6Very high2 Ų249.5 Ų49.51%0.01324%0.235CC..  trans-60.8112.9-179.3-27.438.7000112.1G87 F88 L171 V174 I175 Q178G87-P120 CarbonylContact C-O 3.59Å; G87-P120 WeakPolarHBondContact CA-O 3.38Å; F88-P120 PolarHBondContact N-O 2.86Å; P120-L171 HydrophobicContact CB-CD1 4.41Å; P120-V174 HydrophobicContact CB-CB 4.44Å; P120-V174 HydrophobicContact CB-CG1 3.84Å; P120-I175 HydrophobicContact CB-CB 4.39Å; P120-I175 HydrophobicContact CB-CG1 3.54Å; P120-I175 HydrophobicContact CG-CB 4.41Å; P120-I175 HydrophobicContact CG-CG1 3.94Å; P120-Q178 VanDerWaalsContact CG-CD 3.42Å; P120-Q178 HydrophobicContact CG-CG 4.11Å
121M98.7Very high97.4Very high1 Ų155 Ų551%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-144.2150.2-178.2-66.1179.7-83.600109.3F88 I90 H107 I110 L111 F119 I150 P151F88-M121 HydrophobicContact CB-CG 4.14Å; F88-M121 HydrophobicContact CD2-CG 4.24Å; F88-M121 CarbonylContact O-C 3.57Å; F88-M121 VanDerWaalsContact O-CA 3.27Å; F88-M121 WeakPolarHBondContact O-CA 3.4Å; I90-M121 HydrophobicContact CD1-SD 4.03Å; H107-M121 WeakPolarHBondContact CD2-CE 3.35Å; H107-M121 VanDerWaalsContact CD2-SD 3.56Å; H107-M121 VanDerWaalsContact NE2-CE 3.31Å; H107-M121 WeakPolarHBondContact NE2-CE 3.06Å; I110-M121 HydrophobicContact CB-SD 4.02Å; I110-M121 HydrophobicContact CD1-CG 4.44Å; I110-M121 HydrophobicContact CD1-SD 3.82Å; I110-M121 HydrophobicContact CG2-CG 4.36Å; I110-M121 HydrophobicContact CG2-SD 3.71Å; L111-M121 HydrophobicContact CD2-CE 3.61Å; L111-M121 HydrophobicContact CG-CE 4.1Å; F119-M121 HydrophobicContact CB-CE 4.18Å; F119-M121 WeakPolarHBondContact O-CE 3.49Å; F119-M121 PolarHBondContact O-N 2.83Å; M121-I150 HydrophobicContact CB-CB 4.49Å; M121-I150 HydrophobicContact CB-CD1 4.41Å; M121-I150 HydrophobicContact CB-CG2 3.91Å; M121-I150 HydrophobicContact CE-CG2 4.38Å; M121-P151 WeakPolarHBondContact O-CD 3.38Å
122I98.8Very high97.4Very high1 Ų160.9 Ų60.91%0.00529%0.289CS..EExtended strand (participates in β ladder)trans-131.7134.2167.5-64.4-174.6000108.4F88 L89 I90 V124 P151 I153 D170 L171 V174F88-I122 PolarHBondContact O-N 2.86Å; L89-I122 HydrophobicContact CD2-CB 4.03Å; L89-I122 HydrophobicContact CD2-CG2 4.47Å; I90-I122 PolarHBondContact N-O 2.81Å; I122-V124 HydrophobicContact CG2-CG2 4.16Å; I122-P151 HydrophobicContact CG1-CB 4.17Å; I122-P151 HydrophobicContact CG1-CG 4.23Å; I122-P151 HydrophobicContact CG2-CB 4.49Å; I122-I153 HydrophobicContact CG2-CG2 3.72Å; I122-D170 VanDerWaalsContact CD1-C 3.47Å; I122-D170 HydrophobicContact CD1-CB 3.52Å; I122-L171 HydrophobicContact CD1-CB 3.97Å; I122-L171 HydrophobicContact CG1-CB 4.45Å; I122-L171 HydrophobicContact CG1-CD1 4.24Å; I122-V174 HydrophobicContact CD1-CG2 4.25Å; I122-V174 HydrophobicContact CG1-CG2 4.28Å
123L98.9Very high97.4Very high0 Ų057.3 Ų57.30%028%0.281CS..EExtended strand (participates in β ladder)trans-82.6121.8170.2-176.557.8000109.8I90 Y92 V103 M144 A145 I150 P151 Y152 I153I90-L123 HydrophobicContact CB-CD1 4.42Å; I90-L123 HydrophobicContact CG2-CD1 4.35Å; Y92-L123 HydrophobicContact CD1-CD1 3.75Å; Y92-L123 HydrophobicContact CD1-CG 4.31Å; Y92-L123 HydrophobicContact CE1-CD1 3.98Å; Y92-L123 HydrophobicContact CE1-CD2 4.31Å; Y92-L123 HydrophobicContact CE1-CG 4.04Å; V103-L123 HydrophobicContact CB-CD1 4.36Å; V103-L123 HydrophobicContact CG1-CD1 3.58Å; V103-L123 HydrophobicContact CG1-CD2 4.37Å; V103-L123 HydrophobicContact CG2-CD1 3.77Å; L123-M144 HydrophobicContact CD2-CB 3.86Å; L123-M144 HydrophobicContact CD2-CG 3.66Å; L123-A145 HydrophobicContact CB-CB 4.32Å; L123-A145 HydrophobicContact CD2-CB 4.02Å; L123-I150 HydrophobicContact CB-CD1 3.94Å; L123-I150 HydrophobicContact CB-CG1 4.33Å; L123-P151 PolarHBondContact N-O 3.48Å; L123-Y152 HydrophobicContact CB-CD2 4.44Å; L123-Y152 HydrophobicContact CD2-CD2 4.15Å; L123-Y152 HydrophobicContact CG-CD2 4.18Å; L123-Y152 WeakPolarHBondContact O-CA 3.39Å; L123-I153 PolarHBondContact O-N 2.89Å
124V98.9Very high97.5Very high0 Ų058.9 Ų58.90%028%0.284CS..EExtended strand (participates in β ladder)trans-113.7113.4-176.7-177.10000109.9L29 L89 I90 V91 Y92 I122 I153 T155L29-V124 HydrophobicContact CD1-CG1 3.97Å; L89-V124 HydrophobicContact CB-CG2 4.12Å; L89-V124 HydrophobicContact CD2-CG2 3.8Å; L89-V124 HydrophobicContact CG-CG2 4.43Å; I90-V124 PolarHBondContact O-N 2.93Å; V91-V124 WeakPolarHBondContact CA-O 3.23Å; V91-V124 HydrophobicContact CG1-CB 4.5Å; V91-V124 HydrophobicContact CG1-CG1 4.37Å; V91-V124 HydrophobicContact CG2-CB 4.15Å; V91-V124 HydrophobicContact CG2-CG1 4.47Å; Y92-V124 WeakPolarHBondContact CD1-O 3.35Å; Y92-V124 PolarHBondContact N-O 2.93Å; I122-V124 HydrophobicContact CG2-CG2 4.16Å; V124-I153 WeakPolarHBondContact CA-O 3.35Å; V124-I153 HydrophobicContact CB-CG2 4.41Å; V124-I153 HydrophobicContact CG1-CG2 4.41Å; V124-I153 HydrophobicContact CG2-CG2 3.91Å; V124-T155 HydrophobicContact CG1-CG2 3.71Å; V124-T155 WeakPolarHBondContact CG1-OG1 3.32Å
125A98.9Very high97.5Very high0 Ų063.9 Ų63.90%031%0.306CS..EExtended strand (participates in β ladder)trans-88.5104.4170.100000109.2Y92 V94 Y152 I153 E154 T155Y92-A125 HydrophobicContact CD1-CB 4.49Å; Y92-A125 HydrophobicContact CE1-CB 3.62Å; Y92-A125 HydrophobicContact CE2-CB 4.22Å; Y92-A125 VanDerWaalsContact CZ-CB 3.46Å; Y92-A125 WeakPolarHBondContact OH-CB 3.21Å; V94-A125 HydrophobicContact CG1-CB 3.82Å; A125-Y152 HydrophobicContact CB-CE2 3.69Å; A125-Y152 VanDerWaalsContact CB-OH 3.23Å; A125-Y152 WeakPolarHBondContact CB-OH 3.42Å; A125-I153 PolarHBondContact N-O 3.35Å; A125-E154 HydrophobicContact CB-CG 4.05Å; A125-E154 CarbonylContact O-C 3.56Å; A125-E154 WeakPolarHBondContact O-CA 3.3Å; A125-T155 PolarHBondContact O-N 3.23Å; A125-T155 PolarHBondContact O-OG1 3.48Å
126N98.8Very high97.6Very high3 Ų357 Ų572%0.01627%0.269CS..EExtended strand (participates in β ladder)trans-96.3166.7-177-166.226.5000112.4V24 G25 L29 V91 Y92 V94 T155V24-N126 PolarHBondContact O-ND2 3.24Å; G25-N126 PolarHBondContact O-ND2 3.41Å; L29-N126 HydrophobicContact CD1-CB 4.19Å; V91-N126 HydrophobicContact CG1-CB 3.8Å; Y92-N126 PolarHBondContact O-N 3.2Å; V94-N126 WeakPolarHBondContact CG2-O 3.46Å; V94-N126 PolarHBondContact N-O 3.38Å; N126-T155 CarbonylContact C-O 3.52Å; N126-T155 WeakPolarHBondContact CA-O 3.41Å; N126-T155 WeakPolarHBondContact CA-OG1 3.43Å; N126-T155 PolarHBondContact OD1-O 3.46Å; N126-T155 PolarHBondContact OD1-OG1 3.4Å
127K98Very high97.8Very high56 Ų5651.8 Ų51.824%0.24326%0.256CS..  trans64.634179.1-45.9-164.8-167.2-179.50114.1G23 V24 S93 V94 T95 D129 L130 T155G23-K127 VanDerWaalsContact O-CE 3.26Å; G23-K127 WeakPolarHBondContact O-CE 3.37Å; G23-K127 PolarHBondContact O-NZ 3.24Å; V24-K127 WeakPolarHBondContact O-CE 3.4Å; S93-K127 WeakPolarHBondContact OG-CD 3.45Å; V94-K127 VanDerWaalsContact CG2-O 3.31Å; V94-K127 WeakPolarHBondContact CG2-O 3.26Å; T95-K127 HydrophobicContact CG2-CB 4.48Å; K127-D129 VanDerWaalsContact C-OD1 3.22Å; K127-D129 VanDerWaalsContact CA-OD1 3.27Å; K127-D129 WeakPolarHBondContact CA-OD1 3.45Å; K127-D129 PolarHBondContact O-N 2.72Å; K127-L130 HydrophobicContact CB-CD1 4.05Å; K127-L130 HydrophobicContact CB-CG 4.33Å; K127-L130 HydrophobicContact CD-CD1 4Å; K127-L130 WeakPolarHBondContact O-CB 3.46Å; K127-L130 PolarHBondContact O-N 3.03Å; K127-T155 PolarHBondContact N-O 3.36Å
128V98.4Very high98Very high12 Ų1248.3 Ų48.37%0.07324%0.235CC..THydrogen-bonded Turntrans-70-11.3179.9-53.40000113.5V94 L130 M131 R134 E154 T155 L162V94-V128 HydrophobicContact CG1-CG1 3.86Å; V94-V128 HydrophobicContact CG2-CG1 4.31Å; V128-L130 PolarHBondContact O-N 3.29Å; V128-M131 VanDerWaalsContact O-CG 3.31Å; V128-M131 WeakPolarHBondContact O-CG 3.37Å; V128-R134 VanDerWaalsContact CG1-NH2 3.34Å; V128-E154 HydrophobicContact CG1-CB 3.85Å; V128-E154 HydrophobicContact CG1-CG 4.01Å; V128-E154 HydrophobicContact CG2-CB 4.46Å; V128-T155 WeakPolarHBondContact CG2-O 3.23Å; V128-T155 PolarHBondContact N-O 3.46Å; V128-L162 HydrophobicContact CG2-CD2 3.61Å
129D97.5Very high98.1Very high58 Ų5849.9 Ų49.931%0.3123%0.234SC..THydrogen-bonded Turntrans-64.8-26.4167.262.7-64000112.5K127 M131 S156 K158K127-D129 VanDerWaalsContact C-OD1 3.22Å; K127-D129 VanDerWaalsContact CA-OD1 3.27Å; K127-D129 WeakPolarHBondContact CA-OD1 3.45Å; K127-D129 PolarHBondContact O-N 2.72Å; D129-M131 PolarHBondContact O-N 3.31Å; D129-S156 PolarHBondContact OD1-OG 3.11Å; D129-K158 HydrophobicContact CB-CD 4.46Å; D129-K158 WeakPolarHBondContact OD2-CD 3.46Å
130L96.5Very high98.2Very high41 Ų4151.7 Ų51.722%0.21524%0.243CC..  trans-84.549.5178.6-57.6-179.1000112.1T95 K127 V128 H132 L133 R134T95-L130 HydrophobicContact CG2-CB 3.67Å; T95-L130 HydrophobicContact CG2-CD1 3.9Å; T95-L130 HydrophobicContact CG2-CG 4.42Å; K127-L130 HydrophobicContact CB-CD1 4.05Å; K127-L130 HydrophobicContact CB-CG 4.33Å; K127-L130 HydrophobicContact CD-CD1 4Å; K127-L130 WeakPolarHBondContact O-CB 3.46Å; K127-L130 PolarHBondContact O-N 3.03Å; V128-L130 PolarHBondContact O-N 3.29Å; L130-H132 VanDerWaalsContact C-N 3.25Å; L130-H132 PolarHBondContact O-N 2.64Å; L130-H132 VanDerWaalsContact O-N 3.16Å; L130-L133 HydrophobicContact CB-CB 4.35Å; L130-L133 HydrophobicContact CB-CD1 4.5Å; L130-L133 HydrophobicContact CD1-CD1 4.43Å; L130-L133 CarbonylContact O-C 3.53Å; L130-L133 WeakPolarHBondContact O-CA 3.47Å; L130-L133 PolarHBondContact O-N 2.96Å; L130-R134 PolarHBondContact O-N 3.26Å
131M95Very high98.2Very high115 Ų11551.6 Ų51.657%0.56724%0.242SC*.G310 helixtrans-53.7-38.5-175.6-72.4-61.1-67.500113.8V128 D129 L133 R134V128-M131 VanDerWaalsContact O-CG 3.31Å; V128-M131 WeakPolarHBondContact O-CG 3.37Å; D129-M131 PolarHBondContact O-N 3.31Å; M131-L133 PolarHBondContact O-N 3.01Å; M131-R134 VanDerWaalsContact O-CB 3.31Å; M131-R134 WeakPolarHBondContact O-CB 3.47Å; M131-R134 PolarHBondContact O-N 3.13Å
132H97.1Very high98.2Very high153 Ų15355.8 Ų55.871%0.70826%0.26SS*.G310 helixtrans-68.5-16.5178.466.4-75.8000113.9L130L130-H132 VanDerWaalsContact C-N 3.25Å; L130-H132 PolarHBondContact O-N 2.64Å; L130-H132 VanDerWaalsContact O-N 3.16Å
133L97.9Very high98.2Very high89 Ų8961.9 Ų61.947%0.46629%0.288SS..G310 helixtrans-108.22.9176.3-57.6177.3000112.4T95 L130 M131 K135T95-L133 WeakPolarHBondContact CA-O 3.4Å; T95-L133 HydrophobicContact CG2-CB 3.75Å; L130-L133 HydrophobicContact CB-CB 4.35Å; L130-L133 HydrophobicContact CB-CD1 4.5Å; L130-L133 HydrophobicContact CD1-CD1 4.43Å; L130-L133 CarbonylContact O-C 3.53Å; L130-L133 WeakPolarHBondContact O-CA 3.47Å; L130-L133 PolarHBondContact O-N 2.96Å; M131-L133 PolarHBondContact O-N 3.01Å; L133-K135 PolarHBondContact O-N 3.38Å
134R98.5Very high98.1Very high61 Ų6162.7 Ų62.723%0.2329%0.292CS..  trans-62.3121.8-177.5176175.2-85.6-150.2-11.7109.9V94 V128 L130 M131 I136 E154V94-R134 HydrophobicContact CB-CG 4.25Å; V94-R134 HydrophobicContact CG2-CB 4.47Å; V94-R134 HydrophobicContact CG2-CG 4.37Å; V128-R134 VanDerWaalsContact CG1-NH2 3.34Å; L130-R134 PolarHBondContact O-N 3.26Å; M131-R134 VanDerWaalsContact O-CB 3.31Å; M131-R134 WeakPolarHBondContact O-CB 3.47Å; M131-R134 PolarHBondContact O-N 3.13Å; R134-I136 VanDerWaalsContact CD-O 3.3Å; R134-I136 WeakPolarHBondContact CD-O 3.44Å; R134-I136 WeakPolarHBondContact CG-O 3.29Å; R134-E154 IonicContact CZ-OE1 3.45Å; R134-E154 IonicContact NH1-OE1 3.31Å; R134-E154 PolarHBondContact NH1-OE1 2.96Å; R134-E154 IonicContact NH2-OE1 2.73Å; R134-E154 PolarHBondContact NH2-OE1 3.1Å
135K98.5Very high98.1Very high140 Ų14062.9 Ų62.961%0.60929%0.294SS*.  trans-104.2-21.2174.4-60-173.5-173170.50112.8V94 T95 L133V94-K135 PolarHBondContact O-N 3.38Å; T95-K135 VanDerWaalsContact O-CD 3.23Å; T95-K135 WeakPolarHBondContact O-CD 3.39Å; T95-K135 VanDerWaalsContact O-CE 3.24Å; T95-K135 WeakPolarHBondContact O-CE 3.31Å; L133-K135 PolarHBondContact O-N 3.38Å
136I98.5Very high98.1Very high1 Ų168.1 Ų68.11%0.00533%0.326CS..SBendtrans-117.2124.9-178.2-50.5-61.3000109.6Y92 V94 K97 F100 R134 Q140Y92-I136 HydrophobicContact CE2-CB 4.08Å; Y92-I136 HydrophobicContact CE2-CG1 4.32Å; Y92-I136 HydrophobicContact CE2-CG2 3.9Å; V94-I136 PolarHBondContact O-N 2.97Å; V94-I136 VanDerWaalsContact O-N 3.13Å; K97-I136 HydrophobicContact CB-CD1 4.07Å; K97-I136 HydrophobicContact CG-CD1 3.91Å; F100-I136 HydrophobicContact CB-CD1 4.02Å; F100-I136 HydrophobicContact CB-CG1 3.91Å; F100-I136 HydrophobicContact CD1-CD1 3.88Å; F100-I136 HydrophobicContact CD1-CG1 4.45Å; F100-I136 HydrophobicContact CD1-CG2 4.26Å; F100-I136 HydrophobicContact CD2-CG2 3.86Å; F100-I136 HydrophobicContact CE1-CG2 4.4Å; F100-I136 HydrophobicContact CE2-CG2 4.01Å; F100-I136 HydrophobicContact CG-CD1 4.04Å; F100-I136 HydrophobicContact CG-CG1 4.12Å; F100-I136 HydrophobicContact CG-CG2 3.97Å; F100-I136 HydrophobicContact CZ-CG2 4.27Å; R134-I136 VanDerWaalsContact CD-O 3.3Å; R134-I136 WeakPolarHBondContact CD-O 3.44Å; R134-I136 WeakPolarHBondContact CG-O 3.29Å; I136-Q140 HydrophobicContact CG2-CB 3.86Å
137T98.3Very high98.1Very high59 Ų5974.3 Ų74.336%0.36235%0.353SS..  trans-76.5164.3179.472.70000111.5E139 Q140 G141T137-E139 WeakPolarHBondContact CB-OE2 3.47Å; T137-E139 PolarHBondContact O-N 3.16Å; T137-E139 PolarHBondContact OG1-OE2 3.34Å; T137-Q140 PolarHBondContact O-N 3.34Å; T137-Q140 WeakPolarHBondContact OG1-CG 3.4Å; T137-Q140 PolarHBondContact OG1-N 3.25Å; T137-Q140 PolarHBondContact OG1-OE1 2.94Å; T137-G141 PolarHBondContact O-N 2.81Å
138R98.4Very high98.1Very high117 Ų11772.8 Ų72.844%0.44235%0.347SS..Hα-helixtrans-65-33.8175.9-175175.6-178.6-171.41.7111G141 K142 Y152 E154R138-G141 PolarHBondContact O-N 2.69Å; R138-K142 WeakPolarHBondContact O-CG 3.47Å; R138-K142 PolarHBondContact O-N 2.93Å; R138-Y152 HydrophobicContact CG-CE1 4.02Å; R138-E154 WeakPolarHBondContact CB-OE1 3.35Å; R138-E154 IonicContact NE-OE2 3.69Å
139E98.6Very high98.1Very high108 Ų10879.2 Ų79.251%0.50538%0.381SS..Hα-helixtrans-64.5-48.7179.1-6662.6-135.700110.1T137 G141 K142 E143T137-E139 WeakPolarHBondContact CB-OE2 3.47Å; T137-E139 PolarHBondContact O-N 3.16Å; T137-E139 PolarHBondContact OG1-OE2 3.34Å; E139-G141 VanDerWaalsContact C-N 3.31Å; E139-G141 PolarHBondContact O-N 2.75Å; E139-K142 PolarHBondContact O-N 3.49Å; E139-K142 VanDerWaalsContact O-N 3.14Å; E139-E143 WeakPolarHBondContact O-CB 3.28Å; E139-E143 WeakPolarHBondContact O-CG 3.39Å; E139-E143 PolarHBondContact O-N 2.88Å
140Q98.6Very high98.1Very high69 Ų6977.3 Ų77.332%0.32237%0.37SS..Hα-helixtrans-58.7-42174.8-70174.8-61.400112F100 I136 T137 E143 M144F100-Q140 HydrophobicContact CZ-CB 4.07Å; F100-Q140 WeakPolarHBondContact CZ-O 3.32Å; I136-Q140 HydrophobicContact CG2-CB 3.86Å; T137-Q140 PolarHBondContact O-N 3.34Å; T137-Q140 WeakPolarHBondContact OG1-CG 3.4Å; T137-Q140 PolarHBondContact OG1-N 3.25Å; T137-Q140 PolarHBondContact OG1-OE1 2.94Å; Q140-E143 PolarHBondContact O-N 3.45Å; Q140-M144 WeakPolarHBondContact O-CB 3.31Å; Q140-M144 PolarHBondContact O-N 3.5Å
141G98.7Very high98.2Very high0 Ų078.1 Ų78.10%038%0.378CS..Hα-helixtrans-60.6-44.5174.900000113Y92 T137 R138 E139 M144 A145 Y152Y92-G141 WeakPolarHBondContact OH-CA 3.47Å; T137-G141 PolarHBondContact O-N 2.81Å; R138-G141 PolarHBondContact O-N 2.69Å; E139-G141 VanDerWaalsContact C-N 3.31Å; E139-G141 PolarHBondContact O-N 2.75Å; G141-M144 PolarHBondContact O-N 3.09Å; G141-A145 WeakPolarHBondContact O-CB 3.49Å; G141-A145 PolarHBondContact O-N 2.9Å; G141-Y152 VanDerWaalsContact CA-CE2 3.47Å; G141-Y152 WeakPolarHBondContact O-CD2 3.26Å
142K98.7Very high98.4Very high89 Ų8974.9 Ų74.939%0.38736%0.36SS..Hα-helixtrans-66.7-40.3175.8-74.2175.3177.6177.50112.6R138 E139 A145 T146 Y152R138-K142 WeakPolarHBondContact O-CG 3.47Å; R138-K142 PolarHBondContact O-N 2.93Å; E139-K142 PolarHBondContact O-N 3.49Å; E139-K142 VanDerWaalsContact O-N 3.14Å; K142-A145 PolarHBondContact O-N 3.24Å; K142-T146 WeakPolarHBondContact O-CB 3.3Å; K142-T146 PolarHBondContact O-N 2.81Å; K142-T146 PolarHBondContact O-OG1 3.41Å; K142-Y152 HydrophobicContact CG-CD1 3.74Å; K142-Y152 HydrophobicContact CG-CE1 4.1Å; K142-Y152 HydrophobicContact CG-CG 4.27Å
143E98.7Very high98.5Very high128 Ų12868 Ų6860%0.59833%0.328SS*.Hα-helixtrans-61.1-45.6175.8-74.9169.9-172.900111E139 Q140 A145 T146 K147E139-E143 WeakPolarHBondContact O-CB 3.28Å; E139-E143 WeakPolarHBondContact O-CG 3.39Å; E139-E143 PolarHBondContact O-N 2.88Å; Q140-E143 PolarHBondContact O-N 3.45Å; E143-A145 PolarHBondContact O-N 3.28Å; E143-T146 PolarHBondContact O-N 2.97Å; E143-K147 WeakPolarHBondContact O-CB 3.42Å; E143-K147 PolarHBondContact O-N 2.63Å
144M98.6Very high98.5Very high17 Ų1765.2 Ų65.28%0.08431%0.313CS..Hα-helixtrans-60.2-44.8174.6-17866.580.300112F100 V103 L123 Q140 G141 T146 K147 H148F100-M144 HydrophobicContact CD1-CE 4.39Å; F100-M144 HydrophobicContact CD2-CE 4.49Å; F100-M144 HydrophobicContact CE1-CE 3.86Å; F100-M144 HydrophobicContact CE2-CB 3.65Å; F100-M144 HydrophobicContact CE2-CE 3.98Å; F100-M144 HydrophobicContact CE2-CG 3.98Å; F100-M144 HydrophobicContact CZ-CB 3.78Å; F100-M144 HydrophobicContact CZ-CE 3.65Å; F100-M144 HydrophobicContact CZ-CG 4.29Å; V103-M144 HydrophobicContact CB-CE 4.42Å; V103-M144 HydrophobicContact CB-CG 4.31Å; V103-M144 HydrophobicContact CB-SD 4.42Å; V103-M144 HydrophobicContact CG1-CG 3.74Å; V103-M144 HydrophobicContact CG1-SD 4.11Å; L123-M144 HydrophobicContact CD2-CB 3.86Å; L123-M144 HydrophobicContact CD2-CG 3.66Å; Q140-M144 WeakPolarHBondContact O-CB 3.31Å; Q140-M144 PolarHBondContact O-N 3.5Å; G141-M144 PolarHBondContact O-N 3.09Å; M144-T146 VanDerWaalsContact C-N 3.32Å; M144-T146 PolarHBondContact O-N 3.38Å; M144-K147 WeakPolarHBondContact O-CB 3.45Å; M144-K147 PolarHBondContact O-N 3.44Å; M144-K147 HydrophobicContact SD-CD 4.3Å; M144-H148 PolarHBondContact O-CD2 2.98Å; M144-H148 VanDerWaalsContact O-CD2 3.26Å; M144-H148 PolarHBondContact O-N 3.14Å
145A98.7Very high98.5Very high4 Ų462.3 Ų62.33%0.03330%0.302CS..Hα-helixtrans-64-38.1176.500000112.6L123 G141 K142 E143 H148 N149 I150 Y152L123-A145 HydrophobicContact CB-CB 4.32Å; L123-A145 HydrophobicContact CD2-CB 4.02Å; G141-A145 WeakPolarHBondContact O-CB 3.49Å; G141-A145 PolarHBondContact O-N 2.9Å; K142-A145 PolarHBondContact O-N 3.24Å; E143-A145 PolarHBondContact O-N 3.28Å; A145-H148 CarbonylContact O-C 3.54Å; A145-H148 PolarHBondContact O-N 2.68Å; A145-N149 PolarHBondContact O-N 3.01Å; A145-I150 HydrophobicContact CB-CG1 4.48Å; A145-I150 WeakPolarHBondContact CB-O 3.17Å; A145-I150 PolarHBondContact O-N 3.04Å; A145-Y152 HydrophobicContact CB-CD2 4.38Å; A145-Y152 HydrophobicContact CB-CG 4.4Å
146T98.5Very high98.5Very high110 Ų11055.9 Ų55.968%0.67527%0.274SS*.Hα-helixtrans-68.1-42.6177.7-57.40000110.9K142 E143 M144 H148 N149K142-T146 WeakPolarHBondContact O-CB 3.3Å; K142-T146 PolarHBondContact O-N 2.81Å; K142-T146 PolarHBondContact O-OG1 3.41Å; E143-T146 PolarHBondContact O-N 2.97Å; M144-T146 VanDerWaalsContact C-N 3.32Å; M144-T146 PolarHBondContact O-N 3.38Å; T146-H148 PolarHBondContact O-N 3.24Å; T146-N149 PolarHBondContact O-N 2.75Å; T146-N149 VanDerWaalsContact O-N 3.1Å
147K98.3Very high98.5Very high133 Ų13356 Ų5658%0.57828%0.275SS*.Hα-helixtrans-53.7-40.5173.6175.7-171.3176.2-171.10112D104 E143 M144D104-K147 WeakPolarHBondContact OD1-CE 3.43Å; D104-K147 IonicContact OD1-NZ 3.82Å; D104-K147 PolarHBondContact OD1-NZ 2.83Å; D104-K147 IonicContact OD2-NZ 2.77Å; D104-K147 PolarHBondContact OD2-NZ 3.08Å; E143-K147 WeakPolarHBondContact O-CB 3.42Å; E143-K147 PolarHBondContact O-N 2.63Å; M144-K147 WeakPolarHBondContact O-CB 3.45Å; M144-K147 PolarHBondContact O-N 3.44Å; M144-K147 HydrophobicContact SD-CD 4.3Å
148H98.1Very high98.3Very high24 Ų2457.9 Ų57.911%0.11128%0.279CS..THydrogen-bonded Turntrans-93.5-1.4-179.8-68-50.2000114.5D104 H107 M144 A145 T146 I150D104-H148 IonicContact OD1-CD2 3.88Å; D104-H148 IonicContact OD1-CE1 3.98Å; D104-H148 PolarHBondContact OD1-CE1 2.88Å; D104-H148 IonicContact OD1-NE2 3.19Å; D104-H148 PolarHBondContact OD1-NE2 3.08Å; H107-H148 AromaticContact CD2-CG 3.91Å; H107-H148 AromaticContact CE1-CG 3.84Å; H107-H148 AromaticContact CE1-ND1 3.38Å; H107-H148 PolarHBondContact CE1-ND1 2.96Å; H107-H148 AromaticContact CG-CG 3.75Å; H107-H148 AromaticContact CG-ND1 3.6Å; H107-H148 AromaticContact ND1-CE1 3.67Å; H107-H148 AromaticContact ND1-CG 3.73Å; H107-H148 AromaticContact ND1-ND1 3.13Å; H107-H148 PolarHBondContact ND1-ND1 2.83Å; H107-H148 VanDerWaalsContact ND1-ND1 3.13Å; H107-H148 AromaticContact NE2-CG 3.99Å; H107-H148 AromaticContact NE2-ND1 4Å; M144-H148 PolarHBondContact O-CD2 2.98Å; M144-H148 VanDerWaalsContact O-CD2 3.26Å; M144-H148 PolarHBondContact O-N 3.14Å; A145-H148 CarbonylContact O-C 3.54Å; A145-H148 PolarHBondContact O-N 2.68Å; T146-H148 PolarHBondContact O-N 3.24Å; H148-I150 VanDerWaalsContact C-N 3.29Å; H148-I150 HydrophobicContact CB-CD1 4.07Å; H148-I150 HydrophobicContact CB-CG1 3.96Å; H148-I150 PolarHBondContact O-N 2.71Å
149N97.6Very high97.9Very high148 Ų14858.1 Ų58.179%0.79129%0.289SS*.THydrogen-bonded Turntrans5344.3-175.3-169.843.2000113.3A145 T146A145-N149 PolarHBondContact O-N 3.01Å; T146-N149 PolarHBondContact O-N 2.75Å; T146-N149 VanDerWaalsContact O-N 3.1Å
150I98.4Very high97.7Very high18 Ų1858.2 Ų58.29%0.09230%0.299CS..  trans-123.9153.6177.361.2179.3000110.5M121 L123 A145 H148M121-I150 HydrophobicContact CB-CB 4.49Å; M121-I150 HydrophobicContact CB-CD1 4.41Å; M121-I150 HydrophobicContact CB-CG2 3.91Å; M121-I150 HydrophobicContact CE-CG2 4.38Å; L123-I150 HydrophobicContact CB-CD1 3.94Å; L123-I150 HydrophobicContact CB-CG1 4.33Å; A145-I150 HydrophobicContact CB-CG1 4.48Å; A145-I150 WeakPolarHBondContact CB-O 3.17Å; A145-I150 PolarHBondContact O-N 3.04Å; H148-I150 VanDerWaalsContact C-N 3.29Å; H148-I150 HydrophobicContact CB-CD1 4.07Å; H148-I150 HydrophobicContact CB-CG1 3.96Å; H148-I150 PolarHBondContact O-N 2.71Å
151P98.6Very high97.6Very high58 Ų5857.9 Ų57.938%0.37730%0.302SS..  trans-63.8152.1175.1-22.334.6000112.8M121 I122 L123 V174M121-P151 WeakPolarHBondContact O-CD 3.38Å; I122-P151 HydrophobicContact CG1-CB 4.17Å; I122-P151 HydrophobicContact CG1-CG 4.23Å; I122-P151 HydrophobicContact CG2-CB 4.49Å; L123-P151 PolarHBondContact N-O 3.48Å; P151-V174 HydrophobicContact CG-CG2 3.91Å
152Y98.8Very high97.6Very high46 Ų4661.4 Ų61.418%0.1832%0.321CS..EExtended strand (participates in β ladder)trans-115.9137.6175.8176.7-103.8000111.2Y92 L123 A125 R138 G141 K142 A145 E154Y92-Y152 HydrophobicContact CE1-CE2 4.35Å; L123-Y152 HydrophobicContact CB-CD2 4.44Å; L123-Y152 HydrophobicContact CD2-CD2 4.15Å; L123-Y152 HydrophobicContact CG-CD2 4.18Å; L123-Y152 WeakPolarHBondContact O-CA 3.39Å; A125-Y152 HydrophobicContact CB-CE2 3.69Å; A125-Y152 VanDerWaalsContact CB-OH 3.23Å; A125-Y152 WeakPolarHBondContact CB-OH 3.42Å; R138-Y152 HydrophobicContact CG-CE1 4.02Å; G141-Y152 VanDerWaalsContact CA-CE2 3.47Å; G141-Y152 WeakPolarHBondContact O-CD2 3.26Å; K142-Y152 HydrophobicContact CG-CD1 3.74Å; K142-Y152 HydrophobicContact CG-CE1 4.1Å; K142-Y152 HydrophobicContact CG-CG 4.27Å; A145-Y152 HydrophobicContact CB-CD2 4.38Å; A145-Y152 HydrophobicContact CB-CG 4.4Å; Y152-E154 HydrophobicContact CE1-CG 3.69Å; Y152-E154 WeakPolarHBondContact OH-CG 3.23Å; Y152-E154 PolarHBondContact OH-OE1 2.85Å
153I98.8Very high97.6Very high9 Ų960 Ų605%0.04632%0.318CS..EExtended strand (participates in β ladder)trans-142.6134.8173.3-165.3167.6000111.8I122 L123 V124 A125 T155 N163 K166 A167I122-I153 HydrophobicContact CG2-CG2 3.72Å; L123-I153 PolarHBondContact O-N 2.89Å; V124-I153 WeakPolarHBondContact CA-O 3.35Å; V124-I153 HydrophobicContact CB-CG2 4.41Å; V124-I153 HydrophobicContact CG1-CG2 4.41Å; V124-I153 HydrophobicContact CG2-CG2 3.91Å; A125-I153 PolarHBondContact N-O 3.35Å; I153-T155 HydrophobicContact CG1-CG2 4.4Å; I153-T155 HydrophobicContact CG2-CG2 4.22Å; I153-N163 HydrophobicContact CD1-CB 3.8Å; I153-N163 HydrophobicContact CG1-CB 3.95Å; I153-K166 HydrophobicContact CD1-CB 3.99Å; I153-K166 HydrophobicContact CD1-CD 3.95Å; I153-K166 HydrophobicContact CD1-CG 3.76Å; I153-A167 HydrophobicContact CD1-CB 4.2Å; I153-A167 HydrophobicContact CG2-CB 4.03Å
154E98.8Very high97.6Very high30 Ų3054 Ų5414%0.1429%0.29CS..EExtended strand (participates in β ladder)trans-89.5133.9169.8-75.5-173.9145.400109.9A125 V128 R134 R138 Y152 N163A125-E154 HydrophobicContact CB-CG 4.05Å; A125-E154 CarbonylContact O-C 3.56Å; A125-E154 WeakPolarHBondContact O-CA 3.3Å; V128-E154 HydrophobicContact CG1-CB 3.85Å; V128-E154 HydrophobicContact CG1-CG 4.01Å; V128-E154 HydrophobicContact CG2-CB 4.46Å; R134-E154 IonicContact CZ-OE1 3.45Å; R134-E154 IonicContact NH1-OE1 3.31Å; R134-E154 PolarHBondContact NH1-OE1 2.96Å; R134-E154 IonicContact NH2-OE1 2.73Å; R134-E154 PolarHBondContact NH2-OE1 3.1Å; R138-E154 WeakPolarHBondContact CB-OE1 3.35Å; R138-E154 IonicContact NE-OE2 3.69Å; Y152-E154 HydrophobicContact CE1-CG 3.69Å; Y152-E154 WeakPolarHBondContact OH-CG 3.23Å; Y152-E154 PolarHBondContact OH-OE1 2.85Å; E154-N163 VanDerWaalsContact O-CB 3.23Å; E154-N163 WeakPolarHBondContact O-CB 3.08Å; E154-N163 PolarHBondContact O-ND2 2.98Å
155T98.9Very high97.6Very high0 Ų055.9 Ų55.90%030%0.3CS..  trans-134.3152.8-175.858.50000112.1V124 A125 N126 K127 V128 I153 L162 N163 A167V124-T155 HydrophobicContact CG1-CG2 3.71Å; V124-T155 WeakPolarHBondContact CG1-OG1 3.32Å; A125-T155 PolarHBondContact O-N 3.23Å; A125-T155 PolarHBondContact O-OG1 3.48Å; N126-T155 CarbonylContact C-O 3.52Å; N126-T155 WeakPolarHBondContact CA-O 3.41Å; N126-T155 WeakPolarHBondContact CA-OG1 3.43Å; N126-T155 PolarHBondContact OD1-O 3.46Å; N126-T155 PolarHBondContact OD1-OG1 3.4Å; K127-T155 PolarHBondContact N-O 3.36Å; V128-T155 WeakPolarHBondContact CG2-O 3.23Å; V128-T155 PolarHBondContact N-O 3.46Å; I153-T155 HydrophobicContact CG1-CG2 4.4Å; I153-T155 HydrophobicContact CG2-CG2 4.22Å; T155-L162 VanDerWaalsContact CA-O 3.26Å; T155-L162 WeakPolarHBondContact CA-O 3.47Å; T155-N163 HydrophobicContact CG2-CB 4.06Å; T155-A167 HydrophobicContact CG2-CB 4.15Å
156S98.4Very high97.6Very high5 Ų560.4 Ų60.44%0.03532%0.319CS..BIsolated β-bridgetrans-134.6122.4165.9169.50000107.8D129 K158 P161 L162 V164D129-S156 PolarHBondContact OD1-OG 3.11Å; S156-K158 VanDerWaalsContact C-N 3.3Å; S156-K158 WeakPolarHBondContact OG-CB 3.33Å; S156-K158 PolarHBondContact OG-N 3.03Å; S156-K158 PolarHBondContact OG-O 3.2Å; S156-P161 WeakPolarHBondContact O-CA 3.44Å; S156-L162 PolarHBondContact N-O 2.97Å; S156-L162 PolarHBondContact O-N 3.36Å; S156-V164 VanDerWaalsContact O-CG2 3.28Å; S156-V164 WeakPolarHBondContact O-CG2 3.5Å
157A97.3Very high97.6Very high3 Ų355.3 Ų55.33%0.02529%0.288CS..  trans-75-23.2169.200000112.2A28 L29 Q32 F38A28-A157 HydrophobicContact CB-CB 3.71Å; L29-A157 HydrophobicContact CD2-CB 4.09Å; L29-A157 HydrophobicContact CG-CB 4.43Å; Q32-A157 HydrophobicContact CB-CB 4.33Å; Q32-A157 WeakPolarHBondContact CG-O 3.42Å; Q32-A157 PolarHBondContact NE2-O 3.06Å; F38-A157 HydrophobicContact CD2-CB 4Å; F38-A157 HydrophobicContact CE2-CB 4.23Å
158K95.5Very high97.6Very high100 Ų10049 Ų4944%0.43526%0.261SS..SBendtrans-65.4145179.6-170.1176.7-176.7177.70110.5F38 D129 S156 P160 P161F38-K158 HydrophobicContact CD1-CG 4.46Å; F38-K158 HydrophobicContact CE1-CG 4.48Å; D129-K158 HydrophobicContact CB-CD 4.46Å; D129-K158 WeakPolarHBondContact OD2-CD 3.46Å; S156-K158 VanDerWaalsContact C-N 3.3Å; S156-K158 WeakPolarHBondContact OG-CB 3.33Å; S156-K158 PolarHBondContact OG-N 3.03Å; S156-K158 PolarHBondContact OG-O 3.2Å; K158-P160 CarbonylContact O-C 3.57Å; K158-P161 VanDerWaalsContact O-CA 3.31Å; K158-P161 WeakPolarHBondContact O-CA 3.46Å
159D89.1Confident97.6Very high122 Ų12249.4 Ų49.465%0.65226%0.263SS*.SBendtrans-73.2131.7175.9-166.958000111.7P161D159-P161 VanDerWaalsContact OD1-CD 3.3Å; D159-P161 WeakPolarHBondContact OD1-CD 3.49Å
160P95.1Very high97.7Very high110 Ų11043.8 Ų43.871%0.71423%0.233SC*.SBendcis-71.3133.1-4.529.8-34.5000112.6K158K158-P160 CarbonylContact O-C 3.57Å
161P97.2Very high97.7Very high61 Ų6143 Ų4340%0.39623%0.228SC..PPolyproline II helixtrans-64.5142.5-177.424.6-32.5000111.7Q32 S156 K158 D159 V164Q32-P161 HydrophobicContact CG-CB 3.87Å; S156-P161 WeakPolarHBondContact O-CA 3.44Å; K158-P161 VanDerWaalsContact O-CA 3.31Å; K158-P161 WeakPolarHBondContact O-CA 3.46Å; D159-P161 VanDerWaalsContact OD1-CD 3.3Å; D159-P161 WeakPolarHBondContact OD1-CD 3.49Å; P161-V164 HydrophobicContact CB-CG2 3.95Å
162L98.5Very high97.7Very high75 Ų7540.2 Ų40.239%0.39321%0.21SC..BIsolated β-bridgetrans-114.9123.2174.7-177.368.2000109.8V128 T155 S156 V164V128-L162 HydrophobicContact CG2-CD2 3.61Å; T155-L162 VanDerWaalsContact CA-O 3.26Å; T155-L162 WeakPolarHBondContact CA-O 3.47Å; S156-L162 PolarHBondContact N-O 2.97Å; S156-L162 PolarHBondContact O-N 3.36Å; L162-V164 PolarHBondContact O-N 3.19Å
163N98.6Very high97.6Very high59 Ų5941.4 Ų41.432%0.31622%0.215SC..SBendtrans56.513.6169.9-69-34.2000116.5I153 E154 T155 K166 A167I153-N163 HydrophobicContact CD1-CB 3.8Å; I153-N163 HydrophobicContact CG1-CB 3.95Å; E154-N163 VanDerWaalsContact O-CB 3.23Å; E154-N163 WeakPolarHBondContact O-CB 3.08Å; E154-N163 PolarHBondContact O-ND2 2.98Å; T155-N163 HydrophobicContact CG2-CB 4.06Å; N163-K166 HydrophobicContact CB-CB 4.33Å; N163-K166 PolarHBondContact O-N 3.42Å; N163-A167 PolarHBondContact O-N 3.41Å
164V98.5Very high97.6Very high3 Ų342.1 Ų42.12%0.01822%0.219CC..Hα-helixtrans-59.8-60.3-178.7-1800000110.7L29 Q32 F33 S156 P161 L162 K166 A167 F168L29-V164 HydrophobicContact CD2-CG1 4.46Å; L29-V164 HydrophobicContact CD2-CG2 3.9Å; L29-V164 WeakPolarHBondContact O-CG1 3.1Å; Q32-V164 HydrophobicContact CB-CG1 4.23Å; Q32-V164 HydrophobicContact CG-CB 4.37Å; Q32-V164 HydrophobicContact CG-CG1 4.14Å; Q32-V164 HydrophobicContact CG-CG2 3.95Å; F33-V164 HydrophobicContact CB-CG1 3.79Å; S156-V164 VanDerWaalsContact O-CG2 3.28Å; S156-V164 WeakPolarHBondContact O-CG2 3.5Å; P161-V164 HydrophobicContact CB-CG2 3.95Å; L162-V164 PolarHBondContact O-N 3.19Å; V164-K166 PolarHBondContact O-N 3.17Å; V164-A167 PolarHBondContact O-N 3.26Å; V164-A167 VanDerWaalsContact O-N 3.14Å; V164-F168 HydrophobicContact CG1-CE2 4.26Å; V164-F168 WeakPolarHBondContact O-CD2 3.31Å; V164-F168 PolarHBondContact O-N 3.41Å
165D97.9Very high97.6Very high56 Ų5641.2 Ų41.230%0.29922%0.215SC..Hα-helixtrans-56.8-38.2175.8-67.1-111.6000112.5F33 K36 A167 F168 H169F33-D165 HydrophobicContact CD2-CB 4.3Å; F33-D165 HydrophobicContact CE2-CB 4.23Å; K36-D165 IonicContact NZ-OD1 3.12Å; K36-D165 PolarHBondContact NZ-OD1 2.85Å; K36-D165 IonicContact NZ-OD2 2.77Å; K36-D165 PolarHBondContact NZ-OD2 2.83Å; D165-A167 VanDerWaalsContact C-N 3.34Å; D165-A167 PolarHBondContact O-N 3.22Å; D165-F168 PolarHBondContact O-N 3.29Å; D165-H169 WeakPolarHBondContact O-CB 3.27Å; D165-H169 PolarHBondContact O-N 2.74Å
166K98.5Very high97.4Very high99 Ų9942.5 Ų42.543%0.4322%0.22SC..Hα-helixtrans-62.1-40.9179.4-172.4176.8-176.9-61.40111.6I153 N163 V164 H169 D170I153-K166 HydrophobicContact CD1-CB 3.99Å; I153-K166 HydrophobicContact CD1-CD 3.95Å; I153-K166 HydrophobicContact CD1-CG 3.76Å; N163-K166 HydrophobicContact CB-CB 4.33Å; N163-K166 PolarHBondContact O-N 3.42Å; V164-K166 PolarHBondContact O-N 3.17Å; K166-H169 PolarHBondContact O-N 2.77Å; K166-D170 WeakPolarHBondContact CG-OD2 3.31Å; K166-D170 IonicContact NZ-OD2 3.92Å; K166-D170 PolarHBondContact NZ-OD2 3.04Å; K166-D170 WeakPolarHBondContact O-CB 3.46Å; K166-D170 PolarHBondContact O-N 2.95Å
167A98.8Very high97.1Very high3 Ų349.6 Ų49.63%0.02525%0.253CS..Hα-helixtrans-61.7-48.3179.500000112L89 I153 T155 N163 V164 D165 L171L89-A167 HydrophobicContact CD2-CB 4.42Å; I153-A167 HydrophobicContact CD1-CB 4.2Å; I153-A167 HydrophobicContact CG2-CB 4.03Å; T155-A167 HydrophobicContact CG2-CB 4.15Å; N163-A167 PolarHBondContact O-N 3.41Å; V164-A167 PolarHBondContact O-N 3.26Å; V164-A167 VanDerWaalsContact O-N 3.14Å; D165-A167 VanDerWaalsContact C-N 3.34Å; D165-A167 PolarHBondContact O-N 3.22Å; A167-L171 PolarHBondContact O-N 3.38Å; A167-L171 VanDerWaalsContact O-N 3.14Å
168F98.6Very high96.6Very high1 Ų153.9 Ų53.90%0.00427%0.272CS..Hα-helixtrans-66.9-41.9178.2-70-83.7000112.1L16 V18 F33 V65 L89 V164 D165 L171 V172L16-F168 HydrophobicContact CD1-CD1 4.12Å; V18-F168 HydrophobicContact CG2-CE1 4.02Å; V18-F168 HydrophobicContact CG2-CZ 4.3Å; F33-F168 HydrophobicContact CB-CD2 3.72Å; F33-F168 HydrophobicContact CB-CE2 3.53Å; F33-F168 HydrophobicContact CB-CZ 4.24Å; F33-F168 HydrophobicContact CD1-CB 4.23Å; F33-F168 HydrophobicContact CD1-CD1 4.06Å; F33-F168 AromaticContact CD1-CD2 3.69Å; F33-F168 HydrophobicContact CD1-CD2 3.69Å; F33-F168 HydrophobicContact CD1-CE1 4.35Å; F33-F168 HydrophobicContact CD1-CE2 4.03Å; F33-F168 AromaticContact CD1-CG 3.72Å; F33-F168 HydrophobicContact CD1-CG 3.72Å; F33-F168 HydrophobicContact CD1-CZ 4.35Å; F33-F168 HydrophobicContact CD2-CB 4.3Å; F33-F168 AromaticContact CD2-CD2 3.74Å; F33-F168 HydrophobicContact CD2-CD2 3.74Å; F33-F168 HydrophobicContact CD2-CE2 4.43Å; F33-F168 HydrophobicContact CD2-CG 4.22Å; F33-F168 HydrophobicContact CE1-CB 3.89Å; F33-F168 HydrophobicContact CE1-CD1 4.21Å; F33-F168 HydrophobicContact CE1-CD2 4.24Å; F33-F168 AromaticContact CE1-CG 3.86Å; F33-F168 HydrophobicContact CE1-CG 3.86Å; F33-F168 HydrophobicContact CE2-CB 3.96Å; F33-F168 HydrophobicContact CE2-CD2 4.27Å; F33-F168 HydrophobicContact CE2-CG 4.33Å; F33-F168 HydrophobicContact CG-CB 4.44Å; F33-F168 AromaticContact CG-CD2 3.42Å; F33-F168 HydrophobicContact CG-CD2 3.42Å; F33-F168 VanDerWaalsContact CG-CD2 3.42Å; F33-F168 AromaticContact CG-CE2 3.76Å; F33-F168 HydrophobicContact CG-CE2 3.76Å; F33-F168 AromaticContact CG-CG 3.92Å; F33-F168 HydrophobicContact CG-CG 3.92Å; F33-F168 HydrophobicContact CG-CZ 4.47Å; F33-F168 HydrophobicContact CZ-CB 3.74Å; F33-F168 HydrophobicContact CZ-CD2 4.49Å; F33-F168 HydrophobicContact CZ-CG 4.16Å; V65-F168 HydrophobicContact CG1-CD1 4.37Å; V65-F168 HydrophobicContact CG1-CE1 3.64Å; V65-F168 HydrophobicContact CG1-CZ 4.46Å; V65-F168 HydrophobicContact CG2-CD1 4.15Å; V65-F168 HydrophobicContact CG2-CE1 4.22Å; L89-F168 HydrophobicContact CD1-CD1 3.67Å; L89-F168 HydrophobicContact CD1-CD2 4.38Å; L89-F168 HydrophobicContact CD1-CE1 3.43Å; L89-F168 VanDerWaalsContact CD1-CE1 3.43Å; L89-F168 HydrophobicContact CD1-CE2 4.17Å; L89-F168 HydrophobicContact CD1-CG 4.14Å; L89-F168 HydrophobicContact CD1-CZ 3.71Å; V164-F168 HydrophobicContact CG1-CE2 4.26Å; V164-F168 WeakPolarHBondContact O-CD2 3.31Å; V164-F168 PolarHBondContact O-N 3.41Å; D165-F168 PolarHBondContact O-N 3.29Å; F168-L171 PolarHBondContact O-N 2.84Å; F168-V172 WeakPolarHBondContact O-CG2 3.4Å; F168-V172 PolarHBondContact O-N 3.41Å
169H98.6Very high95.7Very high31 Ų3152.1 Ų52.114%0.14427%0.267CS..Hα-helixtrans-68.7-39.3178.7-68.3-178.8000112.5F33 T54 I56 D165 K166 L171 V172 R173F33-H169 AromaticContact CE2-NE2 3.94Å; F33-H169 AromaticContact CZ-NE2 3.99Å; T54-H169 PolarHBondContact OG1-NE2 2.94Å; I56-H169 HydrophobicContact CD1-CB 4.32Å; I56-H169 HydrophobicContact CG1-CB 4.28Å; I56-H169 HydrophobicContact CG2-CB 4.24Å; D165-H169 WeakPolarHBondContact O-CB 3.27Å; D165-H169 PolarHBondContact O-N 2.74Å; K166-H169 PolarHBondContact O-N 2.77Å; H169-L171 VanDerWaalsContact C-N 3.3Å; H169-L171 PolarHBondContact O-N 3.33Å; H169-V172 WeakPolarHBondContact O-CB 3.22Å; H169-V172 PolarHBondContact O-N 3.3Å; H169-R173 WeakPolarHBondContact O-CG 3.47Å; H169-R173 PolarHBondContact O-N 2.87Å; H169-R173 VanDerWaalsContact O-N 3.13Å
170D98.6Very high94.5Very high31 Ų3150.5 Ų50.517%0.16626%0.263CS..Hα-helixtrans-63.8-37.2175.9-75.7-11.1000111.4I122 K166 V172 R173 V174I122-D170 VanDerWaalsContact CD1-C 3.47Å; I122-D170 HydrophobicContact CD1-CB 3.52Å; K166-D170 WeakPolarHBondContact CG-OD2 3.31Å; K166-D170 IonicContact NZ-OD2 3.92Å; K166-D170 PolarHBondContact NZ-OD2 3.04Å; K166-D170 WeakPolarHBondContact O-CB 3.46Å; K166-D170 PolarHBondContact O-N 2.95Å; D170-V172 VanDerWaalsContact C-N 3.28Å; D170-V172 PolarHBondContact O-N 3.18Å; D170-R173 WeakPolarHBondContact O-CA 3.11Å; D170-R173 VanDerWaalsContact O-CB 3.31Å; D170-R173 WeakPolarHBondContact O-CB 3.3Å; D170-R173 PolarHBondContact O-N 2.94Å; D170-R173 IonicContact OD1-CZ 2.63Å; D170-R173 IonicContact OD1-NH1 3.56Å; D170-R173 PolarHBondContact OD1-NH1 3.17Å; D170-V174 WeakPolarHBondContact O-CG2 3.24Å; D170-V174 PolarHBondContact O-N 2.98Å
171L98.7Very high92.8Very high0 Ų052 Ų520%026%0.261CS..Hα-helixtrans-61.6-40.9177-179.658.3000111.2L16 L89 P120 I122 A167 F168 H169 R173 V174 I175L16-L171 HydrophobicContact CB-CD2 4.1Å; L16-L171 HydrophobicContact CD1-CD2 4.3Å; L16-L171 HydrophobicContact CD2-CD2 3.85Å; L16-L171 HydrophobicContact CD2-CG 4.08Å; L16-L171 HydrophobicContact CG-CD2 4.3Å; L89-L171 HydrophobicContact CD2-CB 4.19Å; L89-L171 HydrophobicContact CD2-CD2 3.97Å; L89-L171 HydrophobicContact CG-CD2 3.87Å; P120-L171 HydrophobicContact CB-CD1 4.41Å; I122-L171 HydrophobicContact CD1-CB 3.97Å; I122-L171 HydrophobicContact CG1-CB 4.45Å; I122-L171 HydrophobicContact CG1-CD1 4.24Å; A167-L171 PolarHBondContact O-N 3.38Å; A167-L171 VanDerWaalsContact O-N 3.14Å; F168-L171 PolarHBondContact O-N 2.84Å; H169-L171 VanDerWaalsContact C-N 3.3Å; H169-L171 PolarHBondContact O-N 3.33Å; L171-R173 VanDerWaalsContact C-N 3.28Å; L171-R173 PolarHBondContact O-N 2.83Å; L171-V174 PolarHBondContact O-N 3.33Å; L171-I175 HydrophobicContact CG-CD1 4.31Å; L171-I175 WeakPolarHBondContact O-CG1 3.38Å; L171-I175 PolarHBondContact O-N 3.25Å
172V98.4Very high90.6Very high0 Ų057.6 Ų57.60%028%0.279CS..Hα-helixtrans-61.6-37.6173.9176.50000111.4Y14 L16 I56 L63 F168 H169 D170 I175 R176Y14-V172 HydrophobicContact CD2-CG1 3.77Å; Y14-V172 HydrophobicContact CD2-CG2 4.33Å; Y14-V172 HydrophobicContact CE2-CG1 3.62Å; Y14-V172 HydrophobicContact CG-CG1 4.37Å; L16-V172 HydrophobicContact CD1-CG2 4.13Å; L16-V172 HydrophobicContact CD2-CG2 4.38Å; I56-V172 HydrophobicContact CD1-CB 3.82Å; I56-V172 HydrophobicContact CD1-CG1 3.84Å; I56-V172 HydrophobicContact CD1-CG2 3.75Å; L63-V172 HydrophobicContact CD1-CG2 4.36Å; L63-V172 HydrophobicContact CD2-CG2 3.33Å; L63-V172 HydrophobicContact CG-CG2 4.48Å; F168-V172 WeakPolarHBondContact O-CG2 3.4Å; F168-V172 PolarHBondContact O-N 3.41Å; H169-V172 WeakPolarHBondContact O-CB 3.22Å; H169-V172 PolarHBondContact O-N 3.3Å; D170-V172 VanDerWaalsContact C-N 3.28Å; D170-V172 PolarHBondContact O-N 3.18Å; V172-I175 PolarHBondContact O-N 2.78Å; V172-R176 HydrophobicContact CG1-CG 4.43Å; V172-R176 WeakPolarHBondContact O-CB 3.33Å; V172-R176 VanDerWaalsContact O-CG 3.26Å; V172-R176 WeakPolarHBondContact O-CG 3.31Å; V172-R176 PolarHBondContact O-N 2.83Å
173R98Very high88.5Confident72 Ų7257.2 Ų57.227%0.27228%0.282SS..Hα-helixtrans-63-43.6174.5-65.3175.3-179.8111.63.9111.5I56 D57 H169 D170 L171 R176 Q177I56-R173 HydrophobicContact CG2-CG 4.39Å; D57-R173 IonicContact OD1-CZ 3.76Å; D57-R173 IonicContact OD1-NE 2.68Å; D57-R173 PolarHBondContact OD1-NE 2.88Å; D57-R173 VanDerWaalsContact OD1-NE 3.09Å; D57-R173 IonicContact OD1-NH2 2.61Å; D57-R173 PolarHBondContact OD1-NH2 2.9Å; D57-R173 WeakPolarHBondContact OD2-CG 3.23Å; D57-R173 IonicContact OD2-CZ 2.75Å; D57-R173 IonicContact OD2-NE 3.36Å; D57-R173 PolarHBondContact OD2-NE 3.25Å; D57-R173 IonicContact OD2-NH2 2.69Å; H169-R173 WeakPolarHBondContact O-CG 3.47Å; H169-R173 PolarHBondContact O-N 2.87Å; H169-R173 VanDerWaalsContact O-N 3.13Å; D170-R173 WeakPolarHBondContact O-CA 3.11Å; D170-R173 VanDerWaalsContact O-CB 3.31Å; D170-R173 WeakPolarHBondContact O-CB 3.3Å; D170-R173 PolarHBondContact O-N 2.94Å; D170-R173 IonicContact OD1-CZ 2.63Å; D170-R173 IonicContact OD1-NH1 3.56Å; D170-R173 PolarHBondContact OD1-NH1 3.17Å; L171-R173 VanDerWaalsContact C-N 3.28Å; L171-R173 PolarHBondContact O-N 2.83Å; R173-R176 PolarHBondContact O-N 3.4Å; R173-Q177 WeakPolarHBondContact O-CG 3.38Å; R173-Q177 PolarHBondContact O-N 3.48Å; R173-Q177 VanDerWaalsContact O-N 3.11Å
174V98Very high86.2Confident23 Ų2358.4 Ų58.414%0.13929%0.286CS..Hα-helixtrans-61.7-43.9175.8-179.20000110.8P120 I122 P151 D170 L171 R176 Q177P120-V174 HydrophobicContact CB-CB 4.44Å; P120-V174 HydrophobicContact CB-CG1 3.84Å; I122-V174 HydrophobicContact CD1-CG2 4.25Å; I122-V174 HydrophobicContact CG1-CG2 4.28Å; P151-V174 HydrophobicContact CG-CG2 3.91Å; D170-V174 WeakPolarHBondContact O-CG2 3.24Å; D170-V174 PolarHBondContact O-N 2.98Å; L171-V174 PolarHBondContact O-N 3.33Å; V174-R176 VanDerWaalsContact C-N 3.34Å; V174-R176 PolarHBondContact O-N 3.35Å; V174-Q177 PolarHBondContact O-N 2.83Å
175I97.7Very high83.8Confident12 Ų1264.9 Ų64.96%0.06231%0.314CS..Hα-helixtrans-59.8-45.8176.1-64.1165.9000110.7Y14 L16 D86 P120 L171 V172 Q177 Q178Y14-I175 HydrophobicContact CD1-CB 4.43Å; Y14-I175 HydrophobicContact CD1-CD1 4.33Å; Y14-I175 HydrophobicContact CD1-CG2 3.75Å; Y14-I175 HydrophobicContact CE1-CG2 3.83Å; L16-I175 HydrophobicContact CD2-CD1 3.46Å; L16-I175 VanDerWaalsContact CD2-CD1 3.46Å; D86-I175 HydrophobicContact CB-CD1 4.03Å; D86-I175 WeakPolarHBondContact O-CG1 3.23Å; P120-I175 HydrophobicContact CB-CB 4.39Å; P120-I175 HydrophobicContact CB-CG1 3.54Å; P120-I175 HydrophobicContact CG-CB 4.41Å; P120-I175 HydrophobicContact CG-CG1 3.94Å; L171-I175 HydrophobicContact CG-CD1 4.31Å; L171-I175 WeakPolarHBondContact O-CG1 3.38Å; L171-I175 PolarHBondContact O-N 3.25Å; V172-I175 PolarHBondContact O-N 2.78Å; I175-Q177 VanDerWaalsContact C-N 3.26Å; I175-Q177 PolarHBondContact O-N 3.06Å; I175-Q178 PolarHBondContact O-N 3.19Å; I175-Q178 VanDerWaalsContact O-N 3.13Å
176R96Very high81.5Confident26 Ų2670 Ų7010%0.09833%0.333CS..Hα-helixtrans-62.1-31.2-179.4-75.4170.9175.6180-1.1113.1Y14 I56 Q59 V172 R173 V174 Q178 I179Y14-R176 HydrophobicContact CE1-CG 4.46Å; Y14-R176 WeakPolarHBondContact OH-CG 3.5Å; Y14-R176 PolarHBondContact OH-NE 3.48Å; Y14-R176 VanDerWaalsContact OH-NE 3.12Å; I56-R176 PolarHBondContact O-NH1 2.72Å; Q59-R176 PolarHBondContact O-NH2 3.01Å; V172-R176 HydrophobicContact CG1-CG 4.43Å; V172-R176 WeakPolarHBondContact O-CB 3.33Å; V172-R176 VanDerWaalsContact O-CG 3.26Å; V172-R176 WeakPolarHBondContact O-CG 3.31Å; V172-R176 PolarHBondContact O-N 2.83Å; R173-R176 PolarHBondContact O-N 3.4Å; V174-R176 VanDerWaalsContact C-N 3.34Å; V174-R176 PolarHBondContact O-N 3.35Å; R176-Q178 VanDerWaalsContact C-N 3.26Å; R176-Q178 PolarHBondContact O-N 2.97Å; R176-I179 PolarHBondContact O-N 3.14Å
177Q92.7Very high79.1Confident154 Ų15472.5 Ų72.572%0.7235%0.345SS*.Hα-helixtrans-67.9-25177.4-72167.8-0.200113.1R173 V174 I175R173-Q177 WeakPolarHBondContact O-CG 3.38Å; R173-Q177 PolarHBondContact O-N 3.48Å; R173-Q177 VanDerWaalsContact O-N 3.11Å; V174-Q177 PolarHBondContact O-N 2.83Å; I175-Q177 VanDerWaalsContact C-N 3.26Å; I175-Q177 PolarHBondContact O-N 3.06Å
178Q85.8Confident76.8Confident94 Ų9480.5 Ų80.544%0.43938%0.379SS..Hα-helixtrans-85.4-13.4179.3-63.2-161.2-4.600113.9P120 I175 R176 P180P120-Q178 VanDerWaalsContact CG-CD 3.42Å; P120-Q178 HydrophobicContact CG-CG 4.11Å; I175-Q178 PolarHBondContact O-N 3.19Å; I175-Q178 VanDerWaalsContact O-N 3.13Å; R176-Q178 VanDerWaalsContact C-N 3.26Å; R176-Q178 PolarHBondContact O-N 2.97Å; Q178-P180 VanDerWaalsContact O-CD 3.31Å; Q178-P180 WeakPolarHBondContact O-CD 3.43Å
179I75.7Confident74.2Confident63 Ų6388.2 Ų88.232%0.32341%0.412SS..SBendtrans-82116.8178.7-59172.7000108.1R176 E181R176-I179 PolarHBondContact O-N 3.14Å; I179-E181 PolarHBondContact O-N 2.96Å
180P64.8Low71.9Confident88 Ų8891.9 Ų91.957%0.57144%0.437SS*.  trans-57130.2177.6-21.931.9000110.5Q178 K182 S183Q178-P180 VanDerWaalsContact O-CD 3.31Å; Q178-P180 WeakPolarHBondContact O-CD 3.43Å; P180-K182 PolarHBondContact O-N 3.39Å; P180-S183 PolarHBondContact O-N 2.83Å
181E58.6Low69.2Low142 Ų14297.1 Ų97.166%0.66446%0.458SS*.Hα-helixtrans-50.2-27.9-177.8-70-170.3165.700113.7I179 S183 Q184 K185I179-E181 PolarHBondContact O-N 2.96Å; E181-S183 PolarHBondContact O-N 3.36Å; E181-Q184 PolarHBondContact O-N 3.31Å; E181-Q184 VanDerWaalsContact O-N 3.12Å; E181-K185 PolarHBondContact O-N 3.27Å
182K51Low66.5Low177 Ų177108.4 Ų108.477%0.7750%0.501SS*.Hα-helixtrans-58.1-30.5178.1-71.3-175.6179176.10112.8P180 K186P180-K182 PolarHBondContact O-N 3.39Å; K182-K186 PolarHBondContact O-N 3.22Å
183S54.2Low64.1Low67 Ų67119.8 Ų119.847%0.46954%0.544SS..Hα-helixtrans-72.8-31.7178.4-61.10000112.5P180 E181P180-S183 PolarHBondContact O-N 2.83Å; E181-S183 PolarHBondContact O-N 3.36Å
184Q50.4Low61.5Low85 Ų85118.9 Ų118.940%0.39756%0.557SS.*Hα-helixtrans-75.3-38.2177.3-65.7-176-4.900112E181 K187 K188E181-Q184 PolarHBondContact O-N 3.31Å; E181-Q184 VanDerWaalsContact O-N 3.12Å; Q184-K187 PolarHBondContact O-N 3.03Å; Q184-K188 PolarHBondContact O-N 2.73Å
185K49.6Very low59Low138 Ų138125.4 Ų125.460%0.659%0.591SS**Hα-helixtrans-68.2-33.2176.3-75.6-179.9-179.2166.50112.8E181 K188 K189E181-K185 PolarHBondContact O-N 3.27Å; K185-K188 PolarHBondContact O-N 3.31Å; K185-K189 PolarHBondContact O-N 3.23Å
186K48.3Very low56Low163 Ų163136.4 Ų136.471%0.70963%0.632SS**Hα-helixtrans-62.4-45.3173.9-89.9-173.5176.9-179.40111.5K182 K188 K189 T190K182-K186 PolarHBondContact O-N 3.22Å; K186-K188 VanDerWaalsContact C-N 3.34Å; K186-K188 PolarHBondContact O-N 3.33Å; K186-K189 PolarHBondContact O-N 3.13Å; K186-K189 VanDerWaalsContact O-N 3.16Å; K186-T190 PolarHBondContact O-N 2.75Å; K186-T190 PolarHBondContact O-OG1 3.41Å
187K49.3Very low53.3Low153 Ų153139.6 Ų139.667%0.66566%0.664SS**Hα-helixtrans-60.6-39.4175.8-77.2-172.6174.7-176.70112.9Q184 K191Q184-K187 PolarHBondContact O-N 3.03Å; K187-K191 PolarHBondContact O-N 3.46Å
188K49.2Very low50.6Low171 Ų171139.6 Ų139.674%0.74368%0.675SS**Hα-helixtrans-67.8-37.3174.3-74.7-173.8176.6178.80112.9Q184 K185 K186 K191 W192Q184-K188 PolarHBondContact O-N 2.73Å; K185-K188 PolarHBondContact O-N 3.31Å; K186-K188 VanDerWaalsContact C-N 3.34Å; K186-K188 PolarHBondContact O-N 3.33Å; K188-K191 PolarHBondContact O-N 3.43Å; K188-W192 PolarHBondContact O-N 3.19Å
189K45.2Very low48.2Very low163 Ų163138.2 Ų138.271%0.70969%0.686SS**Hα-helixtrans-71.9-32.7178.3-84.7-168.9174-175.60113.6K185 K186 K191K185-K189 PolarHBondContact O-N 3.23Å; K186-K189 PolarHBondContact O-N 3.13Å; K186-K189 VanDerWaalsContact O-N 3.16Å; K189-K191 VanDerWaalsContact C-N 3.33Å
190T49.2Very low46.2Very low108 Ų108141.6 Ų141.666%0.66371%0.709SS**Hα-helixtrans-67.9-36.1171.83.60000111.4K186 W192 R193K186-T190 PolarHBondContact O-N 2.75Å; K186-T190 PolarHBondContact O-OG1 3.41Å; T190-W192 PolarHBondContact O-N 3.44Å; T190-R193 PolarHBondContact O-N 3.16Å
191K43.5Very low44.9Very low141 Ų141146.1 Ų146.161%0.61372%0.723SS**Hα-helixtrans-66.2-34.1176.9-164.4162.4-177.5158.80112.8D9 K187 K188 K189 R193D9-K191 IonicContact OD2-NZ 2.9Å; D9-K191 PolarHBondContact OD2-NZ 3.36Å; K187-K191 PolarHBondContact O-N 3.46Å; K188-K191 PolarHBondContact O-N 3.43Å; K189-K191 VanDerWaalsContact C-N 3.33Å; K191-R193 VanDerWaalsContact C-N 3.31Å; K191-R193 PolarHBondContact O-N 3.01Å
192W41.9Very low43.9Very low237 Ų237149.5 Ų149.590%0.89874%0.735SS**THydrogen-bonded Turntrans-79.9-5.1-178.7-156.844.8000115.3K188 T190K188-W192 PolarHBondContact O-N 3.19Å; T190-W192 PolarHBondContact O-N 3.44Å
193R47.6Very low43.2Very low239 Ų239149.5 Ų149.590%0.90274%0.742SS**THydrogen-bonded Turntrans-98.2-1.2177.3-100.6-177.7154.8-153.2-6114.5T190 K191T190-R193 PolarHBondContact O-N 3.16Å; K191-R193 VanDerWaalsContact C-N 3.31Å; K191-R193 PolarHBondContact O-N 3.01Å
194G43.4Very low42.3Very low53 Ų53155 Ų15555%0.54676%0.76SS.*SBendtrans-91.9-25.8-172.900000117R196G194-R196 VanDerWaalsContact C-N 3.27Å; G194-R196 PolarHBondContact O-N 3.19Å
195D44Very low41.5Very low159 Ų159156.5 Ų156.585%0.8578%0.779SS**  trans-88.742.2-167.5-73-17.8000114.9
196R35.8Very low41Very low243 Ų243156 Ų15692%0.91779%0.787SS**  trans-13769.5164.4-82.6-166.5-78.1173.5-7111G194G194-R196 VanDerWaalsContact C-N 3.27Å; G194-R196 PolarHBondContact O-N 3.19Å
197A39.9Very low40.6Very low93 Ų93155.4 Ų155.477%0.76979%0.791SS**  trans-162.598.1150.800000109.1G199A197-G199 PolarHBondContact O-N 2.9Å
198T35.4Very low40.4Very low155 Ų155159.2 Ų159.295%0.95182%0.817SS**  trans-54.6113.8159.946.60000109.3
199G35.2Very low40Very low65 Ų65158.7 Ų158.767%0.6782%0.821SS**  trans-16687.1179.100000111A197 H201A197-G199 PolarHBondContact O-N 2.9Å; G199-H201 PolarHBondContact O-N 3.21Å
200T34.6Very low39.7Very low134 Ų134158.4 Ų158.482%0.82283%0.827SS**  trans-48.8118.7170.240.60000112.7
201H36.7Very low39.2Very low183 Ų183161.2 Ų161.285%0.84784%0.836SS**  trans-143.4106.9151.6-88-76.2000110.3G199 L203G199-H201 PolarHBondContact O-N 3.21Å; H201-L203 PolarHBondContact O-N 3.29Å
202K36.8Very low38.9Very low212 Ų212162.4 Ų162.492%0.92285%0.849SS**  trans-63.1121.6164.4-85.1173.1169.7176.20108.3
203L37.3Very low38.7Very low177 Ų177157.8 Ų157.893%0.92785%0.846SS**  trans-98.6109.9163.9-79.3158.6000107.7H201H201-L203 PolarHBondContact O-N 3.29Å
204Q34.9Very low38.1Very low182 Ų182152.3 Ų152.385%0.8584%0.842SS**  trans-87.8114.4174.9-145169.7-17.700106.7V206Q204-V206 PolarHBondContact O-N 3.46Å
205C34.7Very low37.8Very low117 Ų117159.4 Ų159.479%0.79186%0.863SS**  trans-77.9116.8175.3-164.30000108.3
206V37.7Very low37.3Very low127 Ų127159.5 Ų159.577%0.7786%0.864SS**  trans-86.7114171.7177.80000107Q204Q204-V206 PolarHBondContact O-N 3.46Å
207I40.8Very low37.4Very low152 Ų152152.5 Ų152.578%0.77986%0.86SS**  trans-84.3124.1168.3-63.2170.8000106.1
208L44.9Very low37.2Very low233 Ų233157.9 Ų157.9100%1.2287%0.868SS**  trans-64.30170-75.2173.2000111.3

Retrieved 208 of 208 residues in 123.7 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).