A0A060VUP6_ONCMY Loading...

Serine and arginine rich splicing factor 6

AlphaFold DB , UniProt , Accession A0A060VUP6, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene SRSF6, Length 334 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M62.3Low82.2Confident160 Ų16060.5 Ų60.579%0.78827%0.266SS*.  0151.70-66.365.6161.400108R3 E41M1-R3 PolarHBondContact O-N 2.78Å; M1-E41 HydrophobicContact CB-CG 3.71Å; M1-E41 WeakPolarHBondContact CB-OE1 2.77Å; M1-E41 VanDerWaalsContact CG-OE1 3.27Å; M1-E41 WeakPolarHBondContact CG-OE1 3.26Å
2P79.1Confident82Confident16 Ų1665.6 Ų65.610%0.10430%0.298CS..  trans-70120.8170.529.4-35.1000110.4E41 F42 D44 N45 A48P2-E41 VanDerWaalsContact O-CG 3.24Å; P2-E41 WeakPolarHBondContact O-CG 3.46Å; P2-F42 WeakPolarHBondContact CD-O 3.45Å; P2-F42 HydrophobicContact CG-CB 3.94Å; P2-F42 WeakPolarHBondContact CG-O 3.34Å; P2-F42 PolarHBondContact O-N 3.26Å; P2-D44 WeakPolarHBondContact CG-O 3.31Å; P2-N45 HydrophobicContact CB-CB 4.3Å; P2-N45 HydrophobicContact CG-CB 4.37Å; P2-A48 HydrophobicContact CB-CB 3.81Å; P2-A48 HydrophobicContact CG-CB 4.28Å
3R84.5Confident81.7Confident56 Ų5661.2 Ų61.221%0.21128%0.28CS..EExtended strand (participates in β ladder)trans-114.2131.2174.4-161.8179.2-154.8-133.36.1109.2M1 E30 D32 F39 E41 A70M1-R3 PolarHBondContact O-N 2.78Å; R3-E30 IonicContact NH2-OE1 2.74Å; R3-D32 IonicContact CZ-OD2 3.91Å; R3-D32 IonicContact NH1-OD2 3.63Å; R3-D32 VanDerWaalsContact NH2-CB 3.28Å; R3-D32 IonicContact NH2-OD2 2.76Å; R3-D32 PolarHBondContact NH2-OD2 3.16Å; R3-F39 HydrophobicContact CG-CB 4.23Å; R3-F39 VanDerWaalsContact CZ-CB 3.42Å; R3-E41 HydrophobicContact CB-CG 4.19Å; R3-E41 HydrophobicContact CG-CB 4.33Å; R3-E41 HydrophobicContact CG-CG 4.35Å; R3-A70 HydrophobicContact CB-CB 4.06Å; R3-A70 HydrophobicContact CG-CB 4.11Å; R3-A70 WeakPolarHBondContact O-CB 3.38Å; R3-A70 PolarHBondContact O-N 3.27Å
4I88.9Confident82Confident0 Ų070 Ų700%031%0.31CS..EExtended strand (participates in β ladder)trans-100.2142.2174.7-54.7-177.3000108.2V6 F22 F39 V40 F42 A48 A51 V52 V67 E68I4-V6 HydrophobicContact CG2-CG2 4.22Å; I4-F22 HydrophobicContact CD1-CE1 4.34Å; I4-F39 CarbonylContact O-C 3.49Å; I4-F39 WeakPolarHBondContact O-CA 3.43Å; I4-F39 WeakPolarHBondContact O-CB 3.31Å; I4-V40 PolarHBondContact N-O 2.81Å; I4-V40 PolarHBondContact O-N 3.26Å; I4-F42 HydrophobicContact CD1-CD2 3.66Å; I4-F42 HydrophobicContact CD1-CE2 3.34Å; I4-F42 HydrophobicContact CD1-CZ 4.02Å; I4-F42 HydrophobicContact CG1-CD2 4.1Å; I4-F42 HydrophobicContact CG1-CE2 4.16Å; I4-A48 HydrophobicContact CD1-CB 3.9Å; I4-A48 HydrophobicContact CG1-CB 4.04Å; I4-A51 HydrophobicContact CD1-CB 3.97Å; I4-V52 HydrophobicContact CD1-CG2 4.18Å; I4-V52 HydrophobicContact CG1-CG2 4.26Å; I4-V52 HydrophobicContact CG2-CG2 4.05Å; I4-V67 HydrophobicContact CG2-CG1 3.34Å; I4-E68 CarbonylContact C-O 3.5Å
5Y89.7Confident82.2Confident75 Ų7572.5 Ų72.529%0.29432%0.323SS..EExtended strand (participates in β ladder)trans-102.2136.4167.2167.1-102.5000109.2Y37 F39 V67 E68Y5-Y37 HydrophobicContact CD2-CD2 4.48Å; Y5-Y37 AromaticContact CE2-CD2 3.76Å; Y5-Y37 HydrophobicContact CE2-CD2 3.76Å; Y5-Y37 HydrophobicContact CE2-CG 4.03Å; Y5-F39 HydrophobicContact CD2-CD1 4.03Å; Y5-F39 AromaticContact CD2-CE1 3.61Å; Y5-F39 HydrophobicContact CD2-CE1 3.61Å; Y5-F39 HydrophobicContact CD2-CZ 4.01Å; Y5-F39 HydrophobicContact CG-CE1 4.31Å; Y5-V67 WeakPolarHBondContact O-CA 3.44Å; Y5-E68 PolarHBondContact N-O 2.84Å; Y5-E68 PolarHBondContact O-N 3.11Å
6V88.3Confident82.5Confident0 Ų077.3 Ų77.30%034%0.343CS..EExtended strand (participates in β ladder)trans-126.392-178-170.80000108I4 L9 L18 F22 Y37 G38 V40 V65 T66 V67I4-V6 HydrophobicContact CG2-CG2 4.22Å; V6-L9 HydrophobicContact CB-CD1 4.25Å; V6-L9 HydrophobicContact CG1-CD1 4Å; V6-L9 HydrophobicContact CG1-CD2 3.93Å; V6-L9 HydrophobicContact CG1-CG 3.96Å; V6-L9 WeakPolarHBondContact O-CD1 3.24Å; V6-L18 HydrophobicContact CG1-CD2 4.11Å; V6-F22 HydrophobicContact CG2-CE2 3.84Å; V6-F22 HydrophobicContact CG2-CZ 3.67Å; V6-Y37 CarbonylContact O-C 3.59Å; V6-Y37 VanDerWaalsContact O-CA 3.23Å; V6-Y37 WeakPolarHBondContact O-CA 3.29Å; V6-G38 PolarHBondContact N-O 2.85Å; V6-G38 PolarHBondContact O-N 3.16Å; V6-V40 HydrophobicContact CG2-CG2 4.26Å; V6-V65 HydrophobicContact CG1-CB 4.1Å; V6-V65 HydrophobicContact CG1-CG1 4.37Å; V6-T66 CarbonylContact C-O 3.57Å; V6-T66 WeakPolarHBondContact CA-O 2.94Å; V6-V67 HydrophobicContact CG1-CG2 4.42Å
7G86.1Confident82.7Confident1 Ų175.8 Ų75.81%0.0134%0.339CS..EExtended strand (participates in β ladder)trans-89.2167.9177.100000112.9L9 V65 T66G7-L9 VanDerWaalsContact C-N 3.33Å; G7-L9 PolarHBondContact O-N 2.73Å; G7-V65 WeakPolarHBondContact O-CA 3.21Å; G7-T66 PolarHBondContact N-O 3.11Å; G7-T66 PolarHBondContact O-N 3.06Å
8K83.5Confident82.8Confident124 Ų12471.6 Ų71.654%0.53932%0.32SS..SBendtrans56.345.6-177.4-54-177.7-168.9161.90112.5G36 R64 T66K8-G36 PolarHBondContact N-O 3.4Å; K8-R64 WeakPolarHBondContact CB-O 3.35Å; K8-T66 WeakPolarHBondContact CD-OG1 3.25Å
9L83.3Confident83Confident4 Ų473.2 Ų73.22%0.02133%0.329CS..  trans-83.5125.3167.5-73.5167.3000108.7V6 G7 Y11 A13 L18 L33 G36 L60 V65V6-L9 HydrophobicContact CB-CD1 4.25Å; V6-L9 HydrophobicContact CG1-CD1 4Å; V6-L9 HydrophobicContact CG1-CD2 3.93Å; V6-L9 HydrophobicContact CG1-CG 3.96Å; V6-L9 WeakPolarHBondContact O-CD1 3.24Å; G7-L9 VanDerWaalsContact C-N 3.33Å; G7-L9 PolarHBondContact O-N 2.73Å; L9-Y11 PolarHBondContact O-N 2.99Å; L9-A13 HydrophobicContact CB-CB 4.35Å; L9-A13 HydrophobicContact CD2-CB 4.13Å; L9-L18 HydrophobicContact CD1-CD1 4.16Å; L9-L18 HydrophobicContact CD1-CD2 3.98Å; L9-L18 HydrophobicContact CD2-CD2 3.67Å; L9-L18 HydrophobicContact CG-CD2 4.49Å; L9-L33 HydrophobicContact CD1-CD1 3.7Å; L9-G36 PolarHBondContact N-O 2.77Å; L9-G36 VanDerWaalsContact N-O 3.08Å; L9-G36 WeakPolarHBondContact O-CA 3.4Å; L9-L60 HydrophobicContact CD2-CD1 4.13Å; L9-L60 HydrophobicContact CD2-CD2 4.07Å; L9-V65 HydrophobicContact CD2-CG1 3.48Å; L9-V65 VanDerWaalsContact CD2-CG1 3.48Å; L9-V65 HydrophobicContact CG-CG1 4.23Å
10N79.8Confident83Confident38 Ų3879.4 Ų79.420%0.20335%0.349CS..  trans-51.6140.3168.7-176.7-14.7000109.5N12 A13 C61 E63N10-N12 PolarHBondContact O-N 2.86Å; N10-N12 PolarHBondContact OD1-N 2.77Å; N10-A13 VanDerWaalsContact O-CB 3.27Å; N10-A13 WeakPolarHBondContact O-CB 3.43Å; N10-A13 PolarHBondContact O-N 2.69Å; N10-C61 HydrophobicContact CB-CB 4.21Å; N10-C61 PolarHBondContact ND2-O 3.5Å; N10-E63 VanDerWaalsContact CA-OE2 3.26Å; N10-E63 WeakPolarHBondContact CA-OE2 3.45Å; N10-E63 HydrophobicContact CB-CB 4.04Å; N10-E63 PolarHBondContact N-OE2 2.73Å
11Y78.4Confident83.1Confident192 Ų19277 Ų7775%0.75334%0.339SS*.THydrogen-bonded Turntrans-52.1-23177.1-61.3-83.2000114.3L9L9-Y11 PolarHBondContact O-N 2.99Å
12N80Confident84.1Confident121 Ų12169.4 Ų69.465%0.64730%0.301SS*.THydrogen-bonded Turntrans-82.8-15.3176.7-68.1-16.3000114.5N10N10-N12 PolarHBondContact O-N 2.86Å; N10-N12 PolarHBondContact OD1-N 2.77Å
13A78.9Confident84.1Confident8 Ų874.6 Ų74.67%0.06633%0.328CS..  trans-67.9133.2-178.900000111L9 N10 L33 L60L9-A13 HydrophobicContact CB-CB 4.35Å; L9-A13 HydrophobicContact CD2-CB 4.13Å; N10-A13 VanDerWaalsContact O-CB 3.27Å; N10-A13 WeakPolarHBondContact O-CB 3.43Å; N10-A13 PolarHBondContact O-N 2.69Å; A13-L33 WeakPolarHBondContact O-CD2 3.44Å; A13-L60 HydrophobicContact CB-CD2 3.6Å
14R85.1Confident83.8Confident185 Ų18575.5 Ų75.570%0.69836%0.355SS*.  trans-114.6166.5179.2-66175.5165.9-179.4-5.9111.8K16 D17 L18R14-K16 PolarHBondContact O-N 2.71Å; R14-D17 WeakPolarHBondContact CA-OD2 3.45Å; R14-D17 WeakPolarHBondContact CB-OD2 3.19Å; R14-D17 PolarHBondContact N-OD2 2.95Å; R14-D17 WeakPolarHBondContact O-CB 3.46Å; R14-D17 PolarHBondContact O-N 3.23Å; R14-L18 PolarHBondContact O-N 3.2Å; R14-L18 VanDerWaalsContact O-N 3.11Å
15E85.1Confident83.3Confident108 Ų10878.2 Ų78.251%0.50537%0.365SS..Hα-helixtrans-49.8-40.6173.9-168-164.2153.300112.3D17 L18 Q19 I31E15-D17 VanDerWaalsContact C-N 3.29Å; E15-D17 PolarHBondContact O-N 2.97Å; E15-L18 PolarHBondContact O-N 3.21Å; E15-Q19 WeakPolarHBondContact O-CB 3.23Å; E15-Q19 PolarHBondContact O-N 3.46Å; E15-I31 HydrophobicContact CG-CB 3.81Å; E15-I31 HydrophobicContact CG-CD1 3.96Å; E15-I31 HydrophobicContact CG-CG1 4.48Å; E15-I31 HydrophobicContact CG-CG2 3.7Å
16K86.8Confident82.8Confident149 Ų14975.7 Ų75.765%0.64836%0.362SS*.Hα-helixtrans-65.7-28.4177.2-64.9-174.1178.6-177.10113.6R14 R20R14-K16 PolarHBondContact O-N 2.71Å; K16-R20 WeakPolarHBondContact O-CB 3.47Å; K16-R20 VanDerWaalsContact O-CG 3.24Å; K16-R20 WeakPolarHBondContact O-CG 3.5Å; K16-R20 PolarHBondContact O-N 3.49Å
17D86.3Confident82.4Confident52 Ų5281 Ų8128%0.27839%0.385SS..Hα-helixtrans-80.7-41.4179.8-50.2-49000109.8R14 E15 R20 F21 L60R14-D17 WeakPolarHBondContact CA-OD2 3.45Å; R14-D17 WeakPolarHBondContact CB-OD2 3.19Å; R14-D17 PolarHBondContact N-OD2 2.95Å; R14-D17 WeakPolarHBondContact O-CB 3.46Å; R14-D17 PolarHBondContact O-N 3.23Å; E15-D17 VanDerWaalsContact C-N 3.29Å; E15-D17 PolarHBondContact O-N 2.97Å; D17-R20 PolarHBondContact O-N 3.32Å; D17-F21 WeakPolarHBondContact O-CB 3.39Å; D17-F21 PolarHBondContact O-N 3.1Å; D17-L60 HydrophobicContact CB-CD2 4.43Å
18L84.8Confident82.4Confident0 Ų082.6 Ų82.60%039%0.393CS..Hα-helixtrans-56-49.5166-67.9-178.6000111.1V6 L9 R14 E15 R20 F21 F22 I31 L33 L60V6-L18 HydrophobicContact CG1-CD2 4.11Å; L9-L18 HydrophobicContact CD1-CD1 4.16Å; L9-L18 HydrophobicContact CD1-CD2 3.98Å; L9-L18 HydrophobicContact CD2-CD2 3.67Å; L9-L18 HydrophobicContact CG-CD2 4.49Å; R14-L18 PolarHBondContact O-N 3.2Å; R14-L18 VanDerWaalsContact O-N 3.11Å; E15-L18 PolarHBondContact O-N 3.21Å; L18-R20 VanDerWaalsContact C-N 3.33Å; L18-R20 PolarHBondContact O-N 3.5Å; L18-F21 PolarHBondContact O-N 3.32Å; L18-F21 VanDerWaalsContact O-N 3.1Å; L18-F22 HydrophobicContact CD2-CE2 4.23Å; L18-F22 VanDerWaalsContact O-CD2 3.3Å; L18-F22 WeakPolarHBondContact O-CD2 3.43Å; L18-F22 PolarHBondContact O-N 3.37Å; L18-I31 HydrophobicContact CB-CG2 4.44Å; L18-I31 HydrophobicContact CD1-CG2 3.84Å; L18-L33 HydrophobicContact CD1-CD1 4.14Å; L18-L60 HydrophobicContact CD2-CD1 3.97Å
19Q85.6Confident82.3Confident102 Ų10281.3 Ų81.348%0.47739%0.391SS..Hα-helixtrans-56.4-46.7179.2-169-175.91900111.1E15 F21 N23 I31E15-Q19 WeakPolarHBondContact O-CB 3.23Å; E15-Q19 PolarHBondContact O-N 3.46Å; Q19-F21 PolarHBondContact O-N 2.97Å; Q19-N23 WeakPolarHBondContact O-CB 3.5Å; Q19-N23 PolarHBondContact O-N 3.05Å; Q19-I31 HydrophobicContact CB-CD1 3.91Å; Q19-I31 HydrophobicContact CG-CD1 4.35Å
20R84.3Confident82.3Confident196 Ų19684.9 Ų84.974%0.7441%0.407SS*.Hα-helixtrans-65.5-34.3176-74.9171.8-179.1-78.71.2113.8K16 D17 L18K16-R20 WeakPolarHBondContact O-CB 3.47Å; K16-R20 VanDerWaalsContact O-CG 3.24Å; K16-R20 WeakPolarHBondContact O-CG 3.5Å; K16-R20 PolarHBondContact O-N 3.49Å; D17-R20 PolarHBondContact O-N 3.32Å; L18-R20 VanDerWaalsContact C-N 3.33Å; L18-R20 PolarHBondContact O-N 3.5Å
21F83.6Confident82.6Confident31 Ų3184.6 Ų84.614%0.13641%0.405CS..Hα-helixtrans-75.8-34.2-176.9177.7-98.3000112.9D17 L18 Q19 L55 K58 L60 V65D17-F21 WeakPolarHBondContact O-CB 3.39Å; D17-F21 PolarHBondContact O-N 3.1Å; L18-F21 PolarHBondContact O-N 3.32Å; L18-F21 VanDerWaalsContact O-N 3.1Å; Q19-F21 PolarHBondContact O-N 2.97Å; F21-L55 HydrophobicContact CD1-CD1 4.06Å; F21-L55 HydrophobicContact CD1-CD2 4.42Å; F21-L55 HydrophobicContact CE1-CB 3.66Å; F21-L55 HydrophobicContact CE1-CD1 3.99Å; F21-L55 HydrophobicContact CE1-CD2 4.07Å; F21-L55 HydrophobicContact CE1-CG 4.13Å; F21-L55 HydrophobicContact CE2-CD2 4.39Å; F21-L55 HydrophobicContact CZ-CB 3.92Å; F21-L55 HydrophobicContact CZ-CD2 4.05Å; F21-L55 HydrophobicContact CZ-CG 4.47Å; F21-K58 HydrophobicContact CE2-CB 4.15Å; F21-K58 HydrophobicContact CE2-CD 3.79Å; F21-K58 HydrophobicContact CE2-CG 3.92Å; F21-K58 HydrophobicContact CZ-CB 3.99Å; F21-K58 HydrophobicContact CZ-CD 4.06Å; F21-K58 HydrophobicContact CZ-CG 4.25Å; F21-L60 HydrophobicContact CB-CD1 3.91Å; F21-L60 HydrophobicContact CD1-CD1 3.86Å; F21-L60 HydrophobicContact CD2-CB 4.42Å; F21-L60 HydrophobicContact CD2-CD1 3.75Å; F21-L60 HydrophobicContact CD2-CG 4.25Å; F21-L60 HydrophobicContact CE1-CD1 4.16Å; F21-L60 HydrophobicContact CE2-CB 4.18Å; F21-L60 HydrophobicContact CE2-CD1 4.08Å; F21-L60 HydrophobicContact CE2-CG 4.48Å; F21-L60 HydrophobicContact CG-CD1 3.62Å; F21-L60 HydrophobicContact CZ-CD1 4.27Å; F21-V65 HydrophobicContact CE1-CG2 3.95Å; F21-V65 HydrophobicContact CE2-CG2 4.5Å; F21-V65 HydrophobicContact CZ-CG2 3.55Å
22F84.4Confident83Confident0 Ų077.4 Ų77.40%038%0.38CS..Hα-helixtrans-90.5-14.7173.2-71.8-74.7000113.6I4 V6 L18 G24 Y25 L28 V40 F42 A51 L55 V67I4-F22 HydrophobicContact CD1-CE1 4.34Å; V6-F22 HydrophobicContact CG2-CE2 3.84Å; V6-F22 HydrophobicContact CG2-CZ 3.67Å; L18-F22 HydrophobicContact CD2-CE2 4.23Å; L18-F22 VanDerWaalsContact O-CD2 3.3Å; L18-F22 WeakPolarHBondContact O-CD2 3.43Å; L18-F22 PolarHBondContact O-N 3.37Å; F22-G24 PolarHBondContact O-N 3.38Å; F22-Y25 PolarHBondContact O-N 2.95Å; F22-L28 HydrophobicContact CB-CD1 4.01Å; F22-L28 HydrophobicContact CB-CD2 4.07Å; F22-L28 HydrophobicContact CB-CG 4.36Å; F22-V40 HydrophobicContact CD2-CG2 3.95Å; F22-V40 HydrophobicContact CE2-CG2 3.81Å; F22-F42 HydrophobicContact CB-CZ 4.04Å; F22-F42 HydrophobicContact CD1-CE2 4.12Å; F22-F42 AromaticContact CD1-CZ 3.68Å; F22-F42 HydrophobicContact CD1-CZ 3.68Å; F22-F42 HydrophobicContact CE1-CZ 4.48Å; F22-F42 HydrophobicContact CG-CE2 4.48Å; F22-F42 HydrophobicContact CG-CZ 4.09Å; F22-A51 HydrophobicContact CD1-CB 4.05Å; F22-A51 HydrophobicContact CE1-CB 4.17Å; F22-L55 HydrophobicContact CD1-CD1 3.22Å; F22-L55 HydrophobicContact CE1-CB 4.42Å; F22-L55 HydrophobicContact CE1-CD1 3.35Å; F22-L55 HydrophobicContact CE1-CG 4.5Å; F22-L55 HydrophobicContact CG-CD1 4.06Å; F22-L55 HydrophobicContact CZ-CD1 4.24Å; F22-V67 HydrophobicContact CE1-CG1 4.29Å; F22-V67 HydrophobicContact CZ-CG1 4.22Å
23N79.6Confident83.2Confident125 Ų12574.4 Ų74.467%0.66836%0.363SS*.BIsolated β-bridgetrans-63.3106176.5174.295.5000111.4Q19Q19-N23 WeakPolarHBondContact O-CB 3.5Å; Q19-N23 PolarHBondContact O-N 3.05Å
24G77.1Confident83.4Confident74 Ų7477.7 Ų77.776%0.76338%0.376SS*.THydrogen-bonded Turntrans135.1-26.7-17800000112.8F22F22-G24 PolarHBondContact O-N 3.38Å
25Y78.6Confident83.2Confident58 Ų5875.8 Ų75.823%0.22738%0.38CS..THydrogen-bonded Turntrans-89.1-27.9-179.5-67.2-85.8000113.4F22 D47 A51 E54 L55F22-Y25 PolarHBondContact O-N 2.95Å; Y25-D47 WeakPolarHBondContact O-CB 3.42Å; Y25-A51 HydrophobicContact CG-CB 4.26Å; Y25-E54 HydrophobicContact CE1-CB 3.73Å; Y25-E54 HydrophobicContact CE1-CG 4.12Å; Y25-E54 WeakPolarHBondContact CE1-OE2 3.41Å; Y25-E54 PolarHBondContact OH-OE2 3.37Å; Y25-L55 HydrophobicContact CD2-CD1 3.8Å; Y25-L55 HydrophobicContact CD2-CD2 4.45Å; Y25-L55 HydrophobicContact CD2-CG 4.39Å; Y25-L55 HydrophobicContact CE2-CD1 3.86Å; Y25-L55 HydrophobicContact CE2-CD2 3.67Å; Y25-L55 HydrophobicContact CE2-CG 4Å; Y25-L55 HydrophobicContact CG-CD1 4.35Å
26G78.6Confident82.8Confident22 Ų2271.9 Ų71.923%0.22737%0.368CS..BIsolated β-bridgetrans177.2-175.4178.500000112.5D47G26-D47 WeakPolarHBondContact CA-OD2 3.33Å
27K81.6Confident82.8Confident110 Ų11069.1 Ų69.148%0.47835%0.354SS..  trans-92.9116.3177.2-171.8-157.9-171.5-1770110.5E43K27-E43 HydrophobicContact CB-CB 4.35Å; K27-E43 HydrophobicContact CD-CB 4.22Å; K27-E43 VanDerWaalsContact CD-CD 3.5Å; K27-E43 HydrophobicContact CD-CG 4.48Å; K27-E43 WeakPolarHBondContact CD-OE2 3.37Å; K27-E43 IonicContact NZ-OE1 2.66Å; K27-E43 PolarHBondContact NZ-OE1 2.8Å; K27-E43 IonicContact NZ-OE2 2.83Å; K27-E43 PolarHBondContact NZ-OE2 3.16Å; K27-E43 PolarHBondContact O-N 2.87Å
28L84.4Confident82.9Confident36 Ų3666.6 Ų66.619%0.18834%0.341CS..EExtended strand (participates in β ladder)trans-72.8135.3174.4-64.675.4000109.9F22 I31 V40F22-L28 HydrophobicContact CB-CD1 4.01Å; F22-L28 HydrophobicContact CB-CD2 4.07Å; F22-L28 HydrophobicContact CB-CG 4.36Å; L28-I31 HydrophobicContact CD2-CD1 3.62Å; L28-I31 HydrophobicContact CD2-CG1 3.94Å; L28-V40 HydrophobicContact CB-CG1 4.36Å; L28-V40 HydrophobicContact CD2-CG1 3.6Å; L28-V40 HydrophobicContact CG-CG1 3.76Å
29M83.1Confident83.2Confident97 Ų9768.5 Ų68.548%0.47835%0.349SS..EExtended strand (participates in β ladder)trans-97-45175.6-69.9-100.765.400112E41 E43M29-E41 HydrophobicContact CB-CB 4.4Å; M29-E41 PolarHBondContact N-O 3.21Å; M29-E43 HydrophobicContact CG-CB 4.1Å; M29-E43 HydrophobicContact SD-CB 4.35Å
30E81.5Confident83.4Confident79 Ų7963.7 Ų63.737%0.36933%0.327SS..EExtended strand (participates in β ladder)trans-149.5141.6-172.9-169.2-170.8125.200109.4R3 V40 E41 R74R3-E30 IonicContact NH2-OE1 2.74Å; E30-V40 WeakPolarHBondContact O-CA 3.23Å; E30-E41 HydrophobicContact CB-CB 4.12Å; E30-E41 PolarHBondContact O-N 3.07Å; E30-R74 IonicContact OE2-NH2 2.7Å
31I86.5Confident83.5Confident31 Ų3154.5 Ų54.516%0.15929%0.292CS..EExtended strand (participates in β ladder)trans-126.6119.3173.8-53172.9000108.5E15 L18 Q19 L28 V40E15-I31 HydrophobicContact CG-CB 3.81Å; E15-I31 HydrophobicContact CG-CD1 3.96Å; E15-I31 HydrophobicContact CG-CG1 4.48Å; E15-I31 HydrophobicContact CG-CG2 3.7Å; L18-I31 HydrophobicContact CB-CG2 4.44Å; L18-I31 HydrophobicContact CD1-CG2 3.84Å; Q19-I31 HydrophobicContact CB-CD1 3.91Å; Q19-I31 HydrophobicContact CG-CD1 4.35Å; L28-I31 HydrophobicContact CD2-CD1 3.62Å; L28-I31 HydrophobicContact CD2-CG1 3.94Å; I31-V40 HydrophobicContact CG1-CG1 4.44Å; I31-V40 HydrophobicContact CG2-CG2 4.41Å
32D86.3Confident83.7Confident41 Ų4153 Ų5322%0.21929%0.286CS..EExtended strand (participates in β ladder)trans-117.582.1-176.8171.428.1000109.1R3 K34 G38 F39R3-D32 IonicContact CZ-OD2 3.91Å; R3-D32 IonicContact NH1-OD2 3.63Å; R3-D32 VanDerWaalsContact NH2-CB 3.28Å; R3-D32 IonicContact NH2-OD2 2.76Å; R3-D32 PolarHBondContact NH2-OD2 3.16Å; D32-K34 IonicContact OD1-NZ 2.67Å; D32-K34 PolarHBondContact OD1-NZ 3.35Å; D32-K34 IonicContact OD2-NZ 3.84Å; D32-K34 PolarHBondContact OD2-NZ 3.42Å; D32-G38 CarbonylContact O-C 3.25Å; D32-G38 VanDerWaalsContact O-CA 3.3Å; D32-G38 WeakPolarHBondContact O-CA 3.33Å; D32-F39 HydrophobicContact CB-CB 4.29Å; D32-F39 HydrophobicContact CB-CD2 4.44Å; D32-F39 PolarHBondContact N-O 2.96Å; D32-F39 PolarHBondContact O-N 2.9Å; D32-F39 WeakPolarHBondContact OD2-CD2 3.42Å
33L85.3Confident83.8Confident59 Ų5957.9 Ų57.931%0.30931%0.309SS..EExtended strand (participates in β ladder)trans-83.6133.6-179.6177.663.8000111.6L9 A13 L18L9-L33 HydrophobicContact CD1-CD1 3.7Å; A13-L33 WeakPolarHBondContact O-CD2 3.44Å; L18-L33 HydrophobicContact CD1-CD1 4.14Å
34K83.4Confident84.1Confident77 Ų7754.6 Ų54.634%0.33529%0.291SS..EExtended strand (participates in β ladder)trans-129.8169172.5-63.7178.2170.7650109.8D32 G36 Y37D32-K34 IonicContact OD1-NZ 2.67Å; D32-K34 PolarHBondContact OD1-NZ 3.35Å; D32-K34 IonicContact OD2-NZ 3.84Å; D32-K34 PolarHBondContact OD2-NZ 3.42Å; K34-G36 PolarHBondContact O-N 3.24Å; K34-G36 VanDerWaalsContact O-N 3.1Å; K34-Y37 CarbonylContact C-O 3.59Å; K34-Y37 VanDerWaalsContact C-O 3.25Å; K34-Y37 VanDerWaalsContact CA-O 3.28Å; K34-Y37 WeakPolarHBondContact CA-O 3.38Å; K34-Y37 HydrophobicContact CB-CD2 4.38Å; K34-Y37 HydrophobicContact CB-CE1 4.17Å; K34-Y37 HydrophobicContact CB-CE2 4.03Å; K34-Y37 WeakPolarHBondContact CB-O 3.32Å; K34-Y37 HydrophobicContact CD-CE2 3.69Å; K34-Y37 WeakPolarHBondContact CD-OH 3.47Å; K34-Y37 HydrophobicContact CG-CE2 4.4Å; K34-Y37 PolarHBondContact N-O 2.9Å; K34-Y37 CarbonylContact O-C 3.6Å; K34-Y37 PolarHBondContact O-N 2.73Å
35N80.4Confident84.5Confident145 Ų14555 Ų5578%0.77528%0.276SS*.THydrogen-bonded Turntrans-62.7114.2-178.6-57.368.2000110.7Y37N35-Y37 VanDerWaalsContact C-N 3.33Å; N35-Y37 WeakPolarHBondContact O-CD1 3.34Å; N35-Y37 PolarHBondContact O-N 2.82Å
36G76.4Confident84.9Confident25 Ų2559.9 Ų59.926%0.25829%0.294SS..THydrogen-bonded Turntrans85.5-11.1179.400000116K8 L9 K34K8-G36 PolarHBondContact N-O 3.4Å; L9-G36 PolarHBondContact N-O 2.77Å; L9-G36 VanDerWaalsContact N-O 3.08Å; L9-G36 WeakPolarHBondContact O-CA 3.4Å; K34-G36 PolarHBondContact O-N 3.24Å; K34-G36 VanDerWaalsContact O-N 3.1Å
37Y87.4Confident85.3Confident91 Ų9160.8 Ų60.836%0.35729%0.293SS..EExtended strand (participates in β ladder)trans-160.2148.9-17966-81.3000112.7Y5 V6 K34 N35 F39Y5-Y37 HydrophobicContact CD2-CD2 4.48Å; Y5-Y37 AromaticContact CE2-CD2 3.76Å; Y5-Y37 HydrophobicContact CE2-CD2 3.76Å; Y5-Y37 HydrophobicContact CE2-CG 4.03Å; V6-Y37 CarbonylContact O-C 3.59Å; V6-Y37 VanDerWaalsContact O-CA 3.23Å; V6-Y37 WeakPolarHBondContact O-CA 3.29Å; K34-Y37 CarbonylContact C-O 3.59Å; K34-Y37 VanDerWaalsContact C-O 3.25Å; K34-Y37 VanDerWaalsContact CA-O 3.28Å; K34-Y37 WeakPolarHBondContact CA-O 3.38Å; K34-Y37 HydrophobicContact CB-CD2 4.38Å; K34-Y37 HydrophobicContact CB-CE1 4.17Å; K34-Y37 HydrophobicContact CB-CE2 4.03Å; K34-Y37 WeakPolarHBondContact CB-O 3.32Å; K34-Y37 HydrophobicContact CD-CE2 3.69Å; K34-Y37 WeakPolarHBondContact CD-OH 3.47Å; K34-Y37 HydrophobicContact CG-CE2 4.4Å; K34-Y37 PolarHBondContact N-O 2.9Å; K34-Y37 CarbonylContact O-C 3.6Å; K34-Y37 PolarHBondContact O-N 2.73Å; N35-Y37 VanDerWaalsContact C-N 3.33Å; N35-Y37 WeakPolarHBondContact O-CD1 3.34Å; N35-Y37 PolarHBondContact O-N 2.82Å; Y37-F39 HydrophobicContact CD2-CE2 4.1Å; Y37-F39 HydrophobicContact CD2-CZ 4.41Å; Y37-F39 AromaticContact CE2-CE2 3.93Å; Y37-F39 HydrophobicContact CE2-CE2 3.93Å; Y37-F39 HydrophobicContact CE2-CZ 4.32Å
38G89.1Confident85.5Confident0 Ų055.5 Ų55.50%027%0.271CS..EExtended strand (participates in β ladder)trans-131.7174.1175.500000112.5V6 D32V6-G38 PolarHBondContact N-O 2.85Å; V6-G38 PolarHBondContact O-N 3.16Å; D32-G38 CarbonylContact O-C 3.25Å; D32-G38 VanDerWaalsContact O-CA 3.3Å; D32-G38 WeakPolarHBondContact O-CA 3.33Å
39F90.1Very high85.6Confident40 Ų4057 Ų5718%0.17528%0.278CS..EExtended strand (participates in β ladder)trans-126.7145.2165.3-54-93.7000109.6R3 I4 Y5 D32 Y37 A70R3-F39 HydrophobicContact CG-CB 4.23Å; R3-F39 VanDerWaalsContact CZ-CB 3.42Å; I4-F39 CarbonylContact O-C 3.49Å; I4-F39 WeakPolarHBondContact O-CA 3.43Å; I4-F39 WeakPolarHBondContact O-CB 3.31Å; Y5-F39 HydrophobicContact CD2-CD1 4.03Å; Y5-F39 AromaticContact CD2-CE1 3.61Å; Y5-F39 HydrophobicContact CD2-CE1 3.61Å; Y5-F39 HydrophobicContact CD2-CZ 4.01Å; Y5-F39 HydrophobicContact CG-CE1 4.31Å; D32-F39 HydrophobicContact CB-CB 4.29Å; D32-F39 HydrophobicContact CB-CD2 4.44Å; D32-F39 PolarHBondContact N-O 2.96Å; D32-F39 PolarHBondContact O-N 2.9Å; D32-F39 WeakPolarHBondContact OD2-CD2 3.42Å; Y37-F39 HydrophobicContact CD2-CE2 4.1Å; Y37-F39 HydrophobicContact CD2-CZ 4.41Å; Y37-F39 AromaticContact CE2-CE2 3.93Å; Y37-F39 HydrophobicContact CE2-CE2 3.93Å; Y37-F39 HydrophobicContact CE2-CZ 4.32Å; F39-A70 HydrophobicContact CD1-CB 3.9Å; F39-A70 HydrophobicContact CE1-CB 4.19Å
40V89.3Confident85.8Confident0 Ų057 Ų570%028%0.281CS..EExtended strand (participates in β ladder)trans-125.9128.5173.2-1760000107.7I4 V6 F22 L28 E30 I31 F42I4-V40 PolarHBondContact N-O 2.81Å; I4-V40 PolarHBondContact O-N 3.26Å; V6-V40 HydrophobicContact CG2-CG2 4.26Å; F22-V40 HydrophobicContact CD2-CG2 3.95Å; F22-V40 HydrophobicContact CE2-CG2 3.81Å; L28-V40 HydrophobicContact CB-CG1 4.36Å; L28-V40 HydrophobicContact CD2-CG1 3.6Å; L28-V40 HydrophobicContact CG-CG1 3.76Å; E30-V40 WeakPolarHBondContact O-CA 3.23Å; I31-V40 HydrophobicContact CG1-CG1 4.44Å; I31-V40 HydrophobicContact CG2-CG2 4.41Å; V40-F42 HydrophobicContact CB-CE2 4.1Å; V40-F42 HydrophobicContact CG1-CD2 3.89Å; V40-F42 HydrophobicContact CG1-CE2 3.45Å; V40-F42 VanDerWaalsContact CG1-CE2 3.45Å; V40-F42 HydrophobicContact CG1-CZ 4.36Å
41E87.6Confident86Confident4 Ų453.2 Ų53.22%0.01926%0.263CS..EExtended strand (participates in β ladder)trans-101.6137.7172.7-153.8177.392.200110.3M1 P2 R3 M29 E30 R74M1-E41 HydrophobicContact CB-CG 3.71Å; M1-E41 WeakPolarHBondContact CB-OE1 2.77Å; M1-E41 VanDerWaalsContact CG-OE1 3.27Å; M1-E41 WeakPolarHBondContact CG-OE1 3.26Å; P2-E41 VanDerWaalsContact O-CG 3.24Å; P2-E41 WeakPolarHBondContact O-CG 3.46Å; R3-E41 HydrophobicContact CB-CG 4.19Å; R3-E41 HydrophobicContact CG-CB 4.33Å; R3-E41 HydrophobicContact CG-CG 4.35Å; M29-E41 HydrophobicContact CB-CB 4.4Å; M29-E41 PolarHBondContact N-O 3.21Å; E30-E41 HydrophobicContact CB-CB 4.12Å; E30-E41 PolarHBondContact O-N 3.07Å; E41-R74 IonicContact OE1-CZ 3.09Å; E41-R74 IonicContact OE1-NE 2.76Å; E41-R74 IonicContact OE1-NH2 3.17Å; E41-R74 PolarHBondContact OE1-NH2 2.98Å; E41-R74 IonicContact OE2-CZ 3.97Å; E41-R74 IonicContact OE2-NE 2.68Å; E41-R74 PolarHBondContact OE2-NE 3.25Å; E41-R74 IonicContact OE2-NH2 2.89Å; E41-R74 PolarHBondContact OE2-NH2 2.65Å; E41-R74 VanDerWaalsContact OE2-NH2 3.12Å
42F87.9Confident86Confident0 Ų052.8 Ų52.80%026%0.261CS..EExtended strand (participates in β ladder)trans-110.9154.6-177.7-82.7-110.9000110.9P2 I4 F22 V40 D47 A48 A51P2-F42 WeakPolarHBondContact CD-O 3.45Å; P2-F42 HydrophobicContact CG-CB 3.94Å; P2-F42 WeakPolarHBondContact CG-O 3.34Å; P2-F42 PolarHBondContact O-N 3.26Å; I4-F42 HydrophobicContact CD1-CD2 3.66Å; I4-F42 HydrophobicContact CD1-CE2 3.34Å; I4-F42 HydrophobicContact CD1-CZ 4.02Å; I4-F42 HydrophobicContact CG1-CD2 4.1Å; I4-F42 HydrophobicContact CG1-CE2 4.16Å; F22-F42 HydrophobicContact CB-CZ 4.04Å; F22-F42 HydrophobicContact CD1-CE2 4.12Å; F22-F42 AromaticContact CD1-CZ 3.68Å; F22-F42 HydrophobicContact CD1-CZ 3.68Å; F22-F42 HydrophobicContact CE1-CZ 4.48Å; F22-F42 HydrophobicContact CG-CE2 4.48Å; F22-F42 HydrophobicContact CG-CZ 4.09Å; V40-F42 HydrophobicContact CB-CE2 4.1Å; V40-F42 HydrophobicContact CG1-CD2 3.89Å; V40-F42 HydrophobicContact CG1-CE2 3.45Å; V40-F42 VanDerWaalsContact CG1-CE2 3.45Å; V40-F42 HydrophobicContact CG1-CZ 4.36Å; F42-D47 HydrophobicContact CD1-CB 3.84Å; F42-D47 HydrophobicContact CE1-CB 4.37Å; F42-A48 HydrophobicContact CB-CB 4.01Å; F42-A48 HydrophobicContact CD2-CB 4.29Å; F42-A48 HydrophobicContact CG-CB 4.03Å; F42-A51 HydrophobicContact CE1-CB 4.35Å; F42-A51 HydrophobicContact CZ-CB 4.04Å
43E86.3Confident86Confident102 Ų10260.4 Ų60.448%0.47729%0.289SS..SBendtrans-70.6-42.1174.2-172.9160.1-103.700111.7K27 M29K27-E43 HydrophobicContact CB-CB 4.35Å; K27-E43 HydrophobicContact CD-CB 4.22Å; K27-E43 VanDerWaalsContact CD-CD 3.5Å; K27-E43 HydrophobicContact CD-CG 4.48Å; K27-E43 WeakPolarHBondContact CD-OE2 3.37Å; K27-E43 IonicContact NZ-OE1 2.66Å; K27-E43 PolarHBondContact NZ-OE1 2.8Å; K27-E43 IonicContact NZ-OE2 2.83Å; K27-E43 PolarHBondContact NZ-OE2 3.16Å; K27-E43 PolarHBondContact O-N 2.87Å; M29-E43 HydrophobicContact CG-CB 4.1Å; M29-E43 HydrophobicContact SD-CB 4.35Å
44D86.4Confident85.9Confident55 Ų5563.2 Ų63.229%0.29430%0.3SS..SBendtrans-115.9146.8-177.1-146.5-60000112P2 R46 D47P2-D44 WeakPolarHBondContact CG-O 3.31Å; D44-R46 IonicContact OD1-CZ 3.86Å; D44-R46 IonicContact OD1-NE 3.75Å; D44-R46 PolarHBondContact OD1-NE 3.36Å; D44-R46 IonicContact OD1-NH2 2.79Å; D44-R46 PolarHBondContact OD1-NH2 3.27Å; D44-R46 VanDerWaalsContact OD1-NH2 3.09Å; D44-R46 IonicContact OD2-CZ 2.83Å; D44-R46 IonicContact OD2-NE 3.75Å; D44-R46 IonicContact OD2-NH2 3.75Å; D44-R46 PolarHBondContact OD2-NH2 3.17Å; D44-D47 HydrophobicContact CB-CB 4.38Å
45N84Confident86Confident84 Ų8459.5 Ų59.545%0.44928%0.284SS..Hα-helixtrans-74.5-33.9-175.4-158.1108.7000111.6P2 A48 D49P2-N45 HydrophobicContact CB-CB 4.3Å; P2-N45 HydrophobicContact CG-CB 4.37Å; N45-A48 CarbonylContact O-C 3.56Å; N45-A48 WeakPolarHBondContact O-CA 3.42Å; N45-A48 WeakPolarHBondContact O-CB 3.47Å; N45-A48 PolarHBondContact O-N 3.07Å; N45-A48 VanDerWaalsContact O-N 3.1Å; N45-D49 VanDerWaalsContact ND2-CG 3.27Å; N45-D49 PolarHBondContact ND2-OD1 2.64Å; N45-D49 VanDerWaalsContact ND2-OD1 3.09Å; N45-D49 PolarHBondContact ND2-OD2 2.82Å; N45-D49 PolarHBondContact O-N 3.22Å
46R87.1Confident86.3Confident159 Ų15956.6 Ų56.660%0.627%0.269SS*.Hα-helixtrans-65.9-50.8-175.8-64.6163.8-70.9159-0.4110.6D44 A48 D49 D50D44-R46 IonicContact OD1-CZ 3.86Å; D44-R46 IonicContact OD1-NE 3.75Å; D44-R46 PolarHBondContact OD1-NE 3.36Å; D44-R46 IonicContact OD1-NH2 2.79Å; D44-R46 PolarHBondContact OD1-NH2 3.27Å; D44-R46 VanDerWaalsContact OD1-NH2 3.09Å; D44-R46 IonicContact OD2-CZ 2.83Å; D44-R46 IonicContact OD2-NE 3.75Å; D44-R46 IonicContact OD2-NH2 3.75Å; D44-R46 PolarHBondContact OD2-NH2 3.17Å; R46-A48 PolarHBondContact O-N 2.79Å; R46-A48 VanDerWaalsContact O-N 3.08Å; R46-D49 WeakPolarHBondContact O-CA 3.23Å; R46-D49 WeakPolarHBondContact O-CB 3.18Å; R46-D49 PolarHBondContact O-N 2.82Å; R46-D50 PolarHBondContact O-N 3.06Å
47D86.6Confident86.5Confident41 Ų4157.1 Ų57.122%0.21927%0.274CS..Hα-helixtrans-46-38.6168.7-58.728.1000112.6Y25 G26 F42 D44 A51Y25-D47 WeakPolarHBondContact O-CB 3.42Å; G26-D47 WeakPolarHBondContact CA-OD2 3.33Å; F42-D47 HydrophobicContact CD1-CB 3.84Å; F42-D47 HydrophobicContact CE1-CB 4.37Å; D44-D47 HydrophobicContact CB-CB 4.38Å; D47-A51 WeakPolarHBondContact O-CB 3.31Å; D47-A51 PolarHBondContact O-N 2.84Å
48A86.3Confident86.4Confident0 Ų057.1 Ų57.10%028%0.276CS..Hα-helixtrans-80-34179.500000113.7P2 I4 F42 N45 R46 V52P2-A48 HydrophobicContact CB-CB 3.81Å; P2-A48 HydrophobicContact CG-CB 4.28Å; I4-A48 HydrophobicContact CD1-CB 3.9Å; I4-A48 HydrophobicContact CG1-CB 4.04Å; F42-A48 HydrophobicContact CB-CB 4.01Å; F42-A48 HydrophobicContact CD2-CB 4.29Å; F42-A48 HydrophobicContact CG-CB 4.03Å; N45-A48 CarbonylContact O-C 3.56Å; N45-A48 WeakPolarHBondContact O-CA 3.42Å; N45-A48 WeakPolarHBondContact O-CB 3.47Å; N45-A48 PolarHBondContact O-N 3.07Å; N45-A48 VanDerWaalsContact O-N 3.1Å; R46-A48 PolarHBondContact O-N 2.79Å; R46-A48 VanDerWaalsContact O-N 3.08Å; A48-V52 WeakPolarHBondContact O-CB 3.46Å; A48-V52 VanDerWaalsContact O-CG2 3.25Å; A48-V52 WeakPolarHBondContact O-CG2 3.1Å; A48-V52 PolarHBondContact O-N 3.03Å
49D86.4Confident86Confident66 Ų6662.5 Ų62.535%0.35330%0.301SS..Hα-helixtrans-65.9-45.9171.9-57.1-48.6000110.3N45 R46 V52 Y53 H69N45-D49 VanDerWaalsContact ND2-CG 3.27Å; N45-D49 PolarHBondContact ND2-OD1 2.64Å; N45-D49 VanDerWaalsContact ND2-OD1 3.09Å; N45-D49 PolarHBondContact ND2-OD2 2.82Å; N45-D49 PolarHBondContact O-N 3.22Å; R46-D49 WeakPolarHBondContact O-CA 3.23Å; R46-D49 WeakPolarHBondContact O-CB 3.18Å; R46-D49 PolarHBondContact O-N 2.82Å; D49-V52 PolarHBondContact O-N 2.96Å; D49-Y53 PolarHBondContact O-N 2.9Å; D49-H69 IonicContact OD1-CE1 2.69Å; D49-H69 PolarHBondContact OD1-CE1 2.89Å; D49-H69 IonicContact OD1-ND1 3.16Å; D49-H69 IonicContact OD1-NE2 3.98Å
50D86.6Confident85.3Confident98 Ų9861.1 Ų61.152%0.52430%0.295SS..Hα-helixtrans-65.8-42.5177.5-65.7-31.2000111.5R46 V52 Y53 E54R46-D50 PolarHBondContact O-N 3.06Å; D50-V52 PolarHBondContact O-N 2.85Å; D50-Y53 PolarHBondContact O-N 2.75Å; D50-E54 PolarHBondContact O-N 2.85Å
51A86.1Confident84.4Confident0 Ų064 Ų640%032%0.315CS..Hα-helixtrans-62.5-39.3173.200000112.9I4 F22 Y25 F42 D47 Y53 L55I4-A51 HydrophobicContact CD1-CB 3.97Å; F22-A51 HydrophobicContact CD1-CB 4.05Å; F22-A51 HydrophobicContact CE1-CB 4.17Å; Y25-A51 HydrophobicContact CG-CB 4.26Å; F42-A51 HydrophobicContact CE1-CB 4.35Å; F42-A51 HydrophobicContact CZ-CB 4.04Å; D47-A51 WeakPolarHBondContact O-CB 3.31Å; D47-A51 PolarHBondContact O-N 2.84Å; A51-Y53 VanDerWaalsContact C-N 3.31Å; A51-L55 HydrophobicContact CB-CD1 4.22Å; A51-L55 WeakPolarHBondContact O-CB 3.4Å; A51-L55 WeakPolarHBondContact O-CG 3.2Å; A51-L55 PolarHBondContact O-N 3.29Å; A51-L55 VanDerWaalsContact O-N 3.11Å
52V87.7Confident83.9Confident21 Ų2167.4 Ų67.413%0.12735%0.351CS..Hα-helixtrans-63.2-39.5172.8164.10000110.7I4 A48 D49 D50 N56 V67I4-V52 HydrophobicContact CD1-CG2 4.18Å; I4-V52 HydrophobicContact CG1-CG2 4.26Å; I4-V52 HydrophobicContact CG2-CG2 4.05Å; A48-V52 WeakPolarHBondContact O-CB 3.46Å; A48-V52 VanDerWaalsContact O-CG2 3.25Å; A48-V52 WeakPolarHBondContact O-CG2 3.1Å; A48-V52 PolarHBondContact O-N 3.03Å; D49-V52 PolarHBondContact O-N 2.96Å; D50-V52 PolarHBondContact O-N 2.85Å; V52-N56 WeakPolarHBondContact O-CB 3.3Å; V52-V67 HydrophobicContact CG2-CG1 4.02Å
53Y86.3Confident83.5Confident202 Ų20271 Ų7179%0.79237%0.368SS*.Hα-helixtrans-68.7-47-178.1-170.7-98.8000113.2D49 D50 A51D49-Y53 PolarHBondContact O-N 2.9Å; D50-Y53 PolarHBondContact O-N 2.75Å; A51-Y53 VanDerWaalsContact C-N 3.31Å
54E83.6Confident83.5Confident117 Ų11773.6 Ų73.655%0.54737%0.373SS..Hα-helixtrans-87.4-22.3-175.4-74.9-161.7-166.900115.6Y25 D50Y25-E54 HydrophobicContact CE1-CB 3.73Å; Y25-E54 HydrophobicContact CE1-CG 4.12Å; Y25-E54 WeakPolarHBondContact CE1-OE2 3.41Å; Y25-E54 PolarHBondContact OH-OE2 3.37Å; D50-E54 PolarHBondContact O-N 2.85Å
55L84.4Confident83.5Confident0 Ų071 Ų710%036%0.359CS..Hα-helixtrans-103.6-12-172.5-56.4175000113.9F21 F22 Y25 A51 G57 K58 V67F21-L55 HydrophobicContact CD1-CD1 4.06Å; F21-L55 HydrophobicContact CD1-CD2 4.42Å; F21-L55 HydrophobicContact CE1-CB 3.66Å; F21-L55 HydrophobicContact CE1-CD1 3.99Å; F21-L55 HydrophobicContact CE1-CD2 4.07Å; F21-L55 HydrophobicContact CE1-CG 4.13Å; F21-L55 HydrophobicContact CE2-CD2 4.39Å; F21-L55 HydrophobicContact CZ-CB 3.92Å; F21-L55 HydrophobicContact CZ-CD2 4.05Å; F21-L55 HydrophobicContact CZ-CG 4.47Å; F22-L55 HydrophobicContact CD1-CD1 3.22Å; F22-L55 HydrophobicContact CE1-CB 4.42Å; F22-L55 HydrophobicContact CE1-CD1 3.35Å; F22-L55 HydrophobicContact CE1-CG 4.5Å; F22-L55 HydrophobicContact CG-CD1 4.06Å; F22-L55 HydrophobicContact CZ-CD1 4.24Å; Y25-L55 HydrophobicContact CD2-CD1 3.8Å; Y25-L55 HydrophobicContact CD2-CD2 4.45Å; Y25-L55 HydrophobicContact CD2-CG 4.39Å; Y25-L55 HydrophobicContact CE2-CD1 3.86Å; Y25-L55 HydrophobicContact CE2-CD2 3.67Å; Y25-L55 HydrophobicContact CE2-CG 4Å; Y25-L55 HydrophobicContact CG-CD1 4.35Å; A51-L55 HydrophobicContact CB-CD1 4.22Å; A51-L55 WeakPolarHBondContact O-CB 3.4Å; A51-L55 WeakPolarHBondContact O-CG 3.2Å; A51-L55 PolarHBondContact O-N 3.29Å; A51-L55 VanDerWaalsContact O-N 3.11Å; L55-G57 PolarHBondContact O-N 3.33Å; L55-K58 HydrophobicContact CD2-CD 3.51Å; L55-K58 WeakPolarHBondContact O-CB 3.05Å; L55-K58 PolarHBondContact O-N 3.43Å; L55-V67 HydrophobicContact CB-CG2 4.27Å; L55-V67 WeakPolarHBondContact O-CG2 3.35Å
56N86.7Confident83.7Confident84 Ų8469.2 Ų69.245%0.44935%0.351SS..THydrogen-bonded Turntrans-68.3124.3175.2-171.922.9000111.6V52 K58 T66 V67V52-N56 WeakPolarHBondContact O-CB 3.3Å; N56-K58 VanDerWaalsContact C-N 3.29Å; N56-K58 PolarHBondContact O-N 2.96Å; N56-T66 WeakPolarHBondContact OD1-CA 3.28Å; N56-V67 HydrophobicContact CB-CB 3.96Å; N56-V67 PolarHBondContact OD1-N 2.87Å
57G81.6Confident83.9Confident36 Ų3661.7 Ų61.737%0.37132%0.323SS..THydrogen-bonded Turntrans83.5-3.6-178.400000115.2L55 V65L55-G57 PolarHBondContact O-N 3.33Å; G57-V65 VanDerWaalsContact CA-O 3.29Å; G57-V65 WeakPolarHBondContact CA-O 3.32Å; G57-V65 PolarHBondContact N-O 3.03Å
58K83.4Confident83.9Confident90 Ų9063.4 Ų63.439%0.39133%0.33SS..  trans-71.4155.4175.8-165.1173.3-177.7173.10110.4F21 L55 N56 V65F21-K58 HydrophobicContact CE2-CB 4.15Å; F21-K58 HydrophobicContact CE2-CD 3.79Å; F21-K58 HydrophobicContact CE2-CG 3.92Å; F21-K58 HydrophobicContact CZ-CB 3.99Å; F21-K58 HydrophobicContact CZ-CD 4.06Å; F21-K58 HydrophobicContact CZ-CG 4.25Å; L55-K58 HydrophobicContact CD2-CD 3.51Å; L55-K58 WeakPolarHBondContact O-CB 3.05Å; L55-K58 PolarHBondContact O-N 3.43Å; N56-K58 VanDerWaalsContact C-N 3.29Å; N56-K58 PolarHBondContact O-N 2.96Å; K58-V65 WeakPolarHBondContact O-CG2 3.47Å; K58-V65 PolarHBondContact O-N 3.26Å
59E80.9Confident83.8Confident114 Ų11467 Ų6753%0.53335%0.346SS..EExtended strand (participates in β ladder)trans-92.8127.4-174.8-72.2168.7171.700111.4E63 R64E59-E63 WeakPolarHBondContact CA-O 3.48Å; E59-R64 HydrophobicContact CG-CG 3.53Å; E59-R64 IonicContact OE1-CZ 2.58Å; E59-R64 IonicContact OE1-NE 3.01Å; E59-R64 PolarHBondContact OE1-NE 3.25Å; E59-R64 IonicContact OE1-NH2 3.64Å; E59-R64 PolarHBondContact OE1-NH2 3.26Å
60L75.4Confident83.5Confident10 Ų1065 Ų655%0.05234%0.339CS..EExtended strand (participates in β ladder)trans-130.6123179.3-167.4160.7000107.9L9 A13 D17 L18 F21 G62 E63 V65L9-L60 HydrophobicContact CD2-CD1 4.13Å; L9-L60 HydrophobicContact CD2-CD2 4.07Å; A13-L60 HydrophobicContact CB-CD2 3.6Å; D17-L60 HydrophobicContact CB-CD2 4.43Å; L18-L60 HydrophobicContact CD2-CD1 3.97Å; F21-L60 HydrophobicContact CB-CD1 3.91Å; F21-L60 HydrophobicContact CD1-CD1 3.86Å; F21-L60 HydrophobicContact CD2-CB 4.42Å; F21-L60 HydrophobicContact CD2-CD1 3.75Å; F21-L60 HydrophobicContact CD2-CG 4.25Å; F21-L60 HydrophobicContact CE1-CD1 4.16Å; F21-L60 HydrophobicContact CE2-CB 4.18Å; F21-L60 HydrophobicContact CE2-CD1 4.08Å; F21-L60 HydrophobicContact CE2-CG 4.48Å; F21-L60 HydrophobicContact CG-CD1 3.62Å; F21-L60 HydrophobicContact CZ-CD1 4.27Å; L60-G62 PolarHBondContact O-N 3Å; L60-G62 VanDerWaalsContact O-N 3.1Å; L60-E63 PolarHBondContact N-O 3.31Å; L60-E63 PolarHBondContact O-N 2.9Å; L60-E63 VanDerWaalsContact O-N 3.09Å; L60-V65 HydrophobicContact CB-CG1 3.69Å; L60-V65 HydrophobicContact CD1-CG1 4.33Å
61C70.7Confident82.2Confident61 Ų6171.1 Ų71.141%0.41236%0.355SS..THydrogen-bonded Turntrans50.232.9-174.4-64.20000114.1N10N10-C61 HydrophobicContact CB-CB 4.21Å; N10-C61 PolarHBondContact ND2-O 3.5Å
62G77.1Confident80.7Confident76 Ų7673.6 Ų73.678%0.78438%0.381SS*.THydrogen-bonded Turntrans84.74.2178.400000116L60L60-G62 PolarHBondContact O-N 3Å; L60-G62 VanDerWaalsContact O-N 3.1Å
63E79.2Confident78.8Confident75 Ų7578.9 Ų78.935%0.3542%0.416SS..EExtended strand (participates in β ladder)trans-122.8150.9175.7-164.5173.1169.700111.4N10 E59 L60 V65N10-E63 VanDerWaalsContact CA-OE2 3.26Å; N10-E63 WeakPolarHBondContact CA-OE2 3.45Å; N10-E63 HydrophobicContact CB-CB 4.04Å; N10-E63 PolarHBondContact N-OE2 2.73Å; E59-E63 WeakPolarHBondContact CA-O 3.48Å; L60-E63 PolarHBondContact N-O 3.31Å; L60-E63 PolarHBondContact O-N 2.9Å; L60-E63 VanDerWaalsContact O-N 3.09Å; E63-V65 PolarHBondContact O-N 2.86Å
64R86.1Confident77.2Confident157 Ų15774.1 Ų74.159%0.59240%0.396SS*.EExtended strand (participates in β ladder)trans-85.7102.6-177.4-72.8-176.8179.2-140.2-9.8111.5K8 E59K8-R64 WeakPolarHBondContact CB-O 3.35Å; E59-R64 HydrophobicContact CG-CG 3.53Å; E59-R64 IonicContact OE1-CZ 2.58Å; E59-R64 IonicContact OE1-NE 3.01Å; E59-R64 PolarHBondContact OE1-NE 3.25Å; E59-R64 IonicContact OE1-NH2 3.64Å; E59-R64 PolarHBondContact OE1-NH2 3.26Å
65V88.1Confident75.6Confident0 Ų080.5 Ų80.50%042%0.415CS..  trans-69.4144.4179.8-620000111.3V6 G7 L9 F21 G57 K58 L60 E63 V67V6-V65 HydrophobicContact CG1-CB 4.1Å; V6-V65 HydrophobicContact CG1-CG1 4.37Å; G7-V65 WeakPolarHBondContact O-CA 3.21Å; L9-V65 HydrophobicContact CD2-CG1 3.48Å; L9-V65 VanDerWaalsContact CD2-CG1 3.48Å; L9-V65 HydrophobicContact CG-CG1 4.23Å; F21-V65 HydrophobicContact CE1-CG2 3.95Å; F21-V65 HydrophobicContact CE2-CG2 4.5Å; F21-V65 HydrophobicContact CZ-CG2 3.55Å; G57-V65 VanDerWaalsContact CA-O 3.29Å; G57-V65 WeakPolarHBondContact CA-O 3.32Å; G57-V65 PolarHBondContact N-O 3.03Å; K58-V65 WeakPolarHBondContact O-CG2 3.47Å; K58-V65 PolarHBondContact O-N 3.26Å; L60-V65 HydrophobicContact CB-CG1 3.69Å; L60-V65 HydrophobicContact CD1-CG1 4.33Å; E63-V65 PolarHBondContact O-N 2.86Å; V65-V67 HydrophobicContact CG2-CG2 4.02Å
66T88Confident73.9Confident46 Ų4684.8 Ų84.828%0.28244%0.438SS..EExtended strand (participates in β ladder)trans-108.1116.7175-54.10000108.3V6 G7 K8 N56V6-T66 CarbonylContact C-O 3.57Å; V6-T66 WeakPolarHBondContact CA-O 2.94Å; G7-T66 PolarHBondContact N-O 3.11Å; G7-T66 PolarHBondContact O-N 3.06Å; K8-T66 WeakPolarHBondContact CD-OG1 3.25Å; N56-T66 WeakPolarHBondContact OD1-CA 3.28Å
67V89.6Confident72.3Confident2 Ų292.2 Ų92.21%0.01246%0.46CS..EExtended strand (participates in β ladder)trans-112.1120.2-173-170.60000108.7I4 Y5 V6 F22 V52 L55 N56 V65I4-V67 HydrophobicContact CG2-CG1 3.34Å; Y5-V67 WeakPolarHBondContact O-CA 3.44Å; V6-V67 HydrophobicContact CG1-CG2 4.42Å; F22-V67 HydrophobicContact CE1-CG1 4.29Å; F22-V67 HydrophobicContact CZ-CG1 4.22Å; V52-V67 HydrophobicContact CG2-CG1 4.02Å; L55-V67 HydrophobicContact CB-CG2 4.27Å; L55-V67 WeakPolarHBondContact O-CG2 3.35Å; N56-V67 HydrophobicContact CB-CB 3.96Å; N56-V67 PolarHBondContact OD1-N 2.87Å; V65-V67 HydrophobicContact CG2-CG2 4.02Å
68E87.3Confident70.8Confident77 Ų7798 Ų9836%0.3648%0.482SS..EExtended strand (participates in β ladder)trans-140.2155.4-179.2-159.8-163153.400110.2I4 Y5 A70 R71I4-E68 CarbonylContact C-O 3.5Å; Y5-E68 PolarHBondContact N-O 2.84Å; Y5-E68 PolarHBondContact O-N 3.11Å; E68-A70 PolarHBondContact O-N 2.82Å; E68-R71 IonicContact OE1-CZ 3.37Å; E68-R71 IonicContact OE1-NE 3.89Å; E68-R71 PolarHBondContact OE1-NE 2.84Å; E68-R71 IonicContact OE1-NH2 3.08Å; E68-R71 PolarHBondContact OE1-NH2 2.89Å
69H84.3Confident68.8Low74 Ų7496.7 Ų96.734%0.34349%0.494SS..EExtended strand (participates in β ladder)trans-62.3127.3167.7-56.7-82.1000111.1D49 R71D49-H69 IonicContact OD1-CE1 2.69Å; D49-H69 PolarHBondContact OD1-CE1 2.89Å; D49-H69 IonicContact OD1-ND1 3.16Å; D49-H69 IonicContact OD1-NE2 3.98Å; H69-R71 PolarHBondContact O-N 2.87Å; H69-R71 VanDerWaalsContact O-N 3.08Å
70A79.9Confident66.9Low24 Ų24103.1 Ų103.120%0.19852%0.516CS..  trans-70.8105.9-177.400000111R3 F39 E68 G72R3-A70 HydrophobicContact CB-CB 4.06Å; R3-A70 HydrophobicContact CG-CB 4.11Å; R3-A70 WeakPolarHBondContact O-CB 3.38Å; R3-A70 PolarHBondContact O-N 3.27Å; F39-A70 HydrophobicContact CD1-CB 3.9Å; F39-A70 HydrophobicContact CE1-CB 4.19Å; E68-A70 PolarHBondContact O-N 2.82Å; A70-G72 PolarHBondContact O-N 3.08Å
71R60.5Low65.5Low227 Ų227106.5 Ų106.586%0.85755%0.553SS**  trans-7879.4-176.1-55.7-172.7-164.6-149.22.8112.8E68 H69E68-R71 IonicContact OE1-CZ 3.37Å; E68-R71 IonicContact OE1-NE 3.89Å; E68-R71 PolarHBondContact OE1-NE 2.84Å; E68-R71 IonicContact OE1-NH2 3.08Å; E68-R71 PolarHBondContact OE1-NH2 2.89Å; H69-R71 PolarHBondContact O-N 2.87Å; H69-R71 VanDerWaalsContact O-N 3.08Å
72G53.1Low64Low53 Ų53107.4 Ų107.455%0.54657%0.572SS.*SBendtrans-177.6147.7165.100000114A70A70-G72 PolarHBondContact O-N 3.08Å
73P48.4Very low62.3Low132 Ų132108 Ų10886%0.85758%0.578SS**  trans-59.9140.7161.429.5-33.5000108.5R75P73-R75 PolarHBondContact O-N 3.32Å
74R52.3Low60.3Low101 Ų101108.3 Ų108.338%0.38160%0.602SS.*  trans-51.2140.4179.3-71.1-174.8175.2-162.2-6.5110.9E30 E41 D76E30-R74 IonicContact OE2-NH2 2.7Å; E41-R74 IonicContact OE1-CZ 3.09Å; E41-R74 IonicContact OE1-NE 2.76Å; E41-R74 IonicContact OE1-NH2 3.17Å; E41-R74 PolarHBondContact OE1-NH2 2.98Å; E41-R74 IonicContact OE2-CZ 3.97Å; E41-R74 IonicContact OE2-NE 2.68Å; E41-R74 PolarHBondContact OE2-NE 3.25Å; E41-R74 IonicContact OE2-NH2 2.89Å; E41-R74 PolarHBondContact OE2-NH2 2.65Å; E41-R74 VanDerWaalsContact OE2-NH2 3.12Å; R74-D76 WeakPolarHBondContact CB-OD2 3.2Å; R74-D76 WeakPolarHBondContact CD-OD1 3.29Å; R74-D76 IonicContact CZ-OD1 3.4Å; R74-D76 IonicContact NE-OD1 3.7Å; R74-D76 IonicContact NH1-OD1 2.87Å; R74-D76 PolarHBondContact NH1-OD1 3.07Å; R74-D76 PolarHBondContact O-N 3.37Å
75R51.3Low58Low251 Ų251104.8 Ų104.895%0.94762%0.615SS**  trans-86.669.9154.9-79.3-174.8172.1178.6-1.7107.7P73 R77P73-R75 PolarHBondContact O-N 3.32Å; R75-R77 PolarHBondContact O-N 3.08Å
76D47.8Very low55.5Low90 Ų90108.4 Ų108.448%0.48165%0.651SS.*  trans-54.8132.2169.4-60.8-76.5000108.4R74 D78R74-D76 WeakPolarHBondContact CB-OD2 3.2Å; R74-D76 WeakPolarHBondContact CD-OD1 3.29Å; R74-D76 IonicContact CZ-OD1 3.4Å; R74-D76 IonicContact NE-OD1 3.7Å; R74-D76 IonicContact NH1-OD1 2.87Å; R74-D76 PolarHBondContact NH1-OD1 3.07Å; R74-D76 PolarHBondContact O-N 3.37Å; D76-D78 PolarHBondContact O-N 3.42Å; D76-D78 VanDerWaalsContact O-N 3.13Å
77R53.1Low53.5Low240 Ų240110.2 Ų110.291%0.90668%0.679SS**SBendtrans-83.217-171.4-175.6162.1162.5138.6-1.7112.7R75R75-R77 PolarHBondContact O-N 3.08Å
78D49.6Very low50.9Low157 Ų157121.8 Ų121.884%0.8472%0.723SS**  trans-11040.3-172.9-60.3-78.8000111.9D76D76-D78 PolarHBondContact O-N 3.42Å; D76-D78 VanDerWaalsContact O-N 3.13Å
79G41.4Very low48.8Very low63 Ų63124 Ų12465%0.64975%0.747SS**  trans-126.495.3179.200000112.1G81G79-G81 PolarHBondContact O-N 3.28Å
80Y41.4Very low46.6Very low250 Ų250125.9 Ų125.998%0.9877%0.768SS**  trans-58135.1168.2-127.8-102000109.4
81G46.8Very low44.7Very low80 Ų80130.7 Ų130.783%0.82580%0.801SS**  trans-59.5135.6-158.700000115.8G79G79-G81 PolarHBondContact O-N 3.28Å
82G38.4Very low43.4Very low80 Ų80123.3 Ų123.383%0.82580%0.795SS**  trans-162.879.4179.600000113.4
83G42.8Very low42.7Very low88 Ų88131.9 Ų131.991%0.90781%0.813SS**  trans-80.4142.8167.500000111.4
84G36.4Very low42.4Very low83 Ų83129.7 Ų129.786%0.85680%0.8SS**  trans129.859.9161.800000119.3
85G38.4Very low41.7Very low83 Ų83130.1 Ų130.186%0.85682%0.819SS**  trans60.4-162.3141.900000119.5
86G35.9Very low41.6Very low75 Ų75122.9 Ų122.977%0.77381%0.807SS**  trans84.570.9172.900000115.9R88G86-R88 PolarHBondContact O-N 3.12Å
87G44.8Very low41.6Very low84 Ų84129 Ų12987%0.86682%0.824SS**  trans-61.6134.7164.800000111.5
88R36Very low41.1Very low245 Ų245123 Ų12393%0.92582%0.818SS**  trans-123.6112.8167-76.9-170.5172.9-112.9-2.7110G86G86-R88 PolarHBondContact O-N 3.12Å
89S41.5Very low41Very low125 Ų125126.3 Ų126.387%0.87482%0.819SS**  trans-65.1144.2176.4-179.40000111.8
90S39.6Very low41.4Very low112 Ų112129.6 Ų129.678%0.78383%0.826SS**  trans-156.5124.5156.6-168.40000111.5
91S39.2Very low41.8Very low126 Ų126121.4 Ų121.488%0.88182%0.819SS**  trans66.7157.2172.3-154.70000117.6
92G34Very low42.1Very low72 Ų72128.7 Ų128.774%0.74282%0.821SS**  trans119.665.1170.300000116.6S94G92-S94 PolarHBondContact O-N 2.89Å
93Y37.6Very low42.5Very low232 Ų232130.2 Ų130.291%0.9181%0.81SS**  trans-59.6124.3174.7-178.6-91000113.4
94S42.6Very low42.9Very low86 Ų86135.9 Ų135.960%0.60181%0.81SS**  trans54.9116162.9-165.10000119.7G92G92-S94 PolarHBondContact O-N 2.89Å
95S37.2Very low43.5Very low110 Ų110141.6 Ų141.677%0.76981%0.807SS**  trans-138.584.7142.8-170.40000110.8R97S95-R97 PolarHBondContact O-N 3.44Å; S95-R97 VanDerWaalsContact O-N 3.07Å
96S49.5Very low44.1Very low100 Ų100139.3 Ų139.370%0.69978%0.784SS**  trans-80.168.3169.459.30000111
97R48Very low44.9Very low219 Ų219141.5 Ų141.583%0.82678%0.784SS**  trans-155.7154.7166.3-95.3122.5-164.1-142.71.8110.2S95S95-R97 PolarHBondContact O-N 3.44Å; S95-R97 VanDerWaalsContact O-N 3.07Å
98S42.6Very low45.3Very low114 Ų114140.8 Ų140.880%0.79777%0.765SS**  trans67.345.8-177.2-52.60000116.4
99R46.7Very low46.2Very low225 Ų225134.3 Ų134.385%0.84975%0.752SS**  trans-101.356.5153.8-80.4-161.9178.7-163.61.3110.9
100T50.5Low46.9Very low132 Ų132138 Ų13881%0.8175%0.747SS**SBendtrans-146.885-17948.30000108.7
101G50.4Low48.1Very low79 Ų79133.9 Ų133.981%0.81472%0.717SS**SBendtrans151.6-6170.500000118.4
102R51.7Low49.5Very low233 Ų233135.1 Ų135.188%0.87971%0.708SS**SBendtrans-133.920.9-174.7-139.2-176.1-162.3-152.64.4116.2
103D47.2Very low51.7Low111 Ų111135.5 Ų135.559%0.59469%0.688SS**  trans-112.5-5.7-171.3-50.8-95.1000113.1Y105D103-Y105 PolarHBondContact O-N 2.85Å
104K50.7Low53.9Low207 Ų207128.2 Ų128.290%0.966%0.659SS**THydrogen-bonded Turntrans-71.6-12.7179.4-147.6-176.5-175.3-174.40113.9
105Y48.8Very low56Low203 Ų203124.1 Ų124.180%0.79663%0.63SS**THydrogen-bonded Turntrans-142.479.6162.1-107.2-92.7000106.9D103D103-Y105 PolarHBondContact O-N 2.85Å
106G52.7Low58.4Low36 Ų36120.8 Ų120.837%0.37160%0.604SS.*  trans-65.4176.7164.500000111.3
107P51.7Low60.2Low120 Ų120116.1 Ų116.178%0.77957%0.571SS**SBendtrans-51135.7162.2-19.632000108.5V109P107-V109 PolarHBondContact O-N 3.02Å; P107-V109 VanDerWaalsContact O-N 3.11Å
108P54.2Low62Low70 Ų70109.1 Ų109.146%0.45555%0.548SS..  trans-47.3124-175.9-30.535.4000110.6R110 T140P108-R110 VanDerWaalsContact C-N 3.34Å; P108-R110 WeakPolarHBondContact O-CG 3.2Å; P108-R110 PolarHBondContact O-N 3.46Å; P108-T140 HydrophobicContact CB-CG2 4.36Å
109V53.9Low63.8Low109 Ų109107.5 Ų107.566%0.66153%0.53SS*.  trans-65.6101.4178.5179.30000105.6P107 T111P107-V109 PolarHBondContact O-N 3.02Å; P107-V109 VanDerWaalsContact O-N 3.11Å; V109-T111 VanDerWaalsContact C-N 3.26Å; V109-T111 HydrophobicContact CG1-CG2 4.22Å; V109-T111 WeakPolarHBondContact O-CG2 3.5Å; V109-T111 PolarHBondContact O-N 3.05Å
110R56.6Low65.4Low203 Ų20397 Ų9777%0.76649%0.491SS*.  trans-69.783.9-172.5-62-169.869.1167.64.6109.7P108 E155P108-R110 VanDerWaalsContact C-N 3.34Å; P108-R110 WeakPolarHBondContact O-CG 3.2Å; P108-R110 PolarHBondContact O-N 3.46Å; R110-E155 VanDerWaalsContact CA-OE1 3.28Å; R110-E155 WeakPolarHBondContact CA-OE1 3.27Å
111T63.8Low66.7Low25 Ų2591.4 Ų91.415%0.15346%0.457CS..  trans-76.6156.8-178.565.20000109.5V109 Y113 E155 F156V109-T111 VanDerWaalsContact C-N 3.26Å; V109-T111 HydrophobicContact CG1-CG2 4.22Å; V109-T111 WeakPolarHBondContact O-CG2 3.5Å; V109-T111 PolarHBondContact O-N 3.05Å; T111-Y113 HydrophobicContact CG2-CD2 4.38Å; T111-Y113 PolarHBondContact O-N 3.27Å; T111-E155 PolarHBondContact N-OE1 3.22Å; T111-E155 VanDerWaalsContact N-OE1 3.17Å; T111-F156 WeakPolarHBondContact CB-O 3.09Å; T111-F156 WeakPolarHBondContact CG2-O 3.47Å; T111-F156 PolarHBondContact OG1-O 2.71Å
112E68.6Low67.7Low151 Ų15191.1 Ų91.171%0.70644%0.442SS*.SBendtrans-83.112.3176.3-56.5-170.111100111.9R114E112-R114 PolarHBondContact O-N 3.32Å
113Y79.9Confident68.7Low81 Ų8190.3 Ų90.332%0.31844%0.439SS..  trans-101.859.8-173.9-51.4-46.4000111T111 F156 R159 M162T111-Y113 HydrophobicContact CG2-CD2 4.38Å; T111-Y113 PolarHBondContact O-N 3.27Å; Y113-F156 PolarHBondContact O-N 2.88Å; Y113-R159 HydrophobicContact CD1-CB 3.86Å; Y113-R159 HydrophobicContact CD1-CG 3.99Å; Y113-R159 HydrophobicContact CD2-CB 4.45Å; Y113-R159 HydrophobicContact CE1-CB 3.52Å; Y113-R159 HydrophobicContact CE1-CG 3.75Å; Y113-R159 HydrophobicContact CE2-CB 4.15Å; Y113-R159 HydrophobicContact CG-CB 4.32Å; Y113-M162 VanDerWaalsContact C-SD 3.5Å; Y113-M162 WeakPolarHBondContact CA-SD 3.33Å; Y113-M162 HydrophobicContact CD1-CE 4.17Å; Y113-M162 HydrophobicContact CD1-SD 4.41Å; Y113-M162 HydrophobicContact CG-SD 4.49Å
114R85.3Confident70.1Confident78 Ų7885.5 Ų85.529%0.29441%0.414SS..EExtended strand (participates in β ladder)trans-94.1128-177.6-175.3174.5175-155.5-2.3111E112 V153 I154 E155 E184E112-R114 PolarHBondContact O-N 3.32Å; R114-V153 HydrophobicContact CG-CG1 4.12Å; R114-V153 VanDerWaalsContact NH2-CG2 3.32Å; R114-I154 CarbonylContact C-O 3.49Å; R114-I154 VanDerWaalsContact CA-O 3.23Å; R114-I154 WeakPolarHBondContact CA-O 3.39Å; R114-E155 HydrophobicContact CB-CG 4.44Å; R114-E184 HydrophobicContact CB-CB 4.18Å; R114-E184 WeakPolarHBondContact CD-OE2 3.49Å; R114-E184 HydrophobicContact CG-CB 4.09Å; R114-E184 IonicContact CZ-OE1 3.41Å; R114-E184 IonicContact CZ-OE2 3.06Å; R114-E184 IonicContact NE-OE1 3.36Å; R114-E184 IonicContact NE-OE2 3.78Å; R114-E184 PolarHBondContact NE-OE2 3.06Å; R114-E184 IonicContact NH1-OE1 3.12Å; R114-E184 PolarHBondContact NH1-OE1 3.1Å; R114-E184 IonicContact NH1-OE2 3.49Å; R114-E184 PolarHBondContact NH1-OE2 3.17Å; R114-E184 IonicContact NH2-OE2 2.88Å; R114-E184 PolarHBondContact NH2-OE2 2.91Å; R114-E184 WeakPolarHBondContact O-CB 3.49Å; R114-E184 PolarHBondContact O-N 2.95Å
115L86.8Confident71.6Confident0 Ų077.6 Ų77.60%039%0.385CS..EExtended strand (participates in β ladder)trans-105.6144.3166.3-58.9-171.3000110.3M133 V153 I154 F156 M162 A165 L166 L181 V182 E183L115-M133 HydrophobicContact CD1-CE 3.94Å; L115-V153 WeakPolarHBondContact O-CA 3.37Å; L115-I154 HydrophobicContact CB-CB 4.47Å; L115-I154 PolarHBondContact N-O 2.83Å; L115-I154 PolarHBondContact O-N 2.83Å; L115-F156 HydrophobicContact CD1-CD2 4.45Å; L115-F156 HydrophobicContact CD1-CE2 3.81Å; L115-F156 HydrophobicContact CG-CD2 4.46Å; L115-F156 HydrophobicContact CG-CE2 4.24Å; L115-M162 HydrophobicContact CD1-CG 4.17Å; L115-M162 HydrophobicContact CD2-CG 3.46Å; L115-M162 VanDerWaalsContact CD2-CG 3.46Å; L115-M162 HydrophobicContact CD2-SD 3.82Å; L115-M162 HydrophobicContact CG-CG 3.78Å; L115-M162 HydrophobicContact CG-SD 4.45Å; L115-A165 HydrophobicContact CD1-CB 4.18Å; L115-L166 HydrophobicContact CD1-CD2 4.31Å; L115-L166 HydrophobicContact CD1-CG 4.09Å; L115-L166 HydrophobicContact CD2-CD1 3.95Å; L115-L166 HydrophobicContact CD2-CD2 3.99Å; L115-L166 HydrophobicContact CD2-CG 3.97Å; L115-L181 HydrophobicContact CD1-CB 4.36Å; L115-L181 HydrophobicContact CD1-CD1 4.29Å; L115-L181 HydrophobicContact CD1-CD2 4.28Å; L115-V182 CarbonylContact C-O 3.6Å; L115-V182 WeakPolarHBondContact CA-O 3.27Å; L115-E183 HydrophobicContact CD2-CB 4.27Å
116I87.6Confident73.4Confident41 Ų4174.1 Ų74.121%0.2137%0.371CS..EExtended strand (participates in β ladder)trans-96.3136.7161.5-64.8159.9000107E118 G152 V182 E184I116-E118 HydrophobicContact CG2-CG 4.16Å; I116-G152 WeakPolarHBondContact CA-O 3.28Å; I116-V182 HydrophobicContact CB-CB 4.41Å; I116-V182 PolarHBondContact N-O 3.04Å; I116-V182 PolarHBondContact O-N 2.93Å; I116-E184 HydrophobicContact CD1-CB 4.03Å; I116-E184 HydrophobicContact CD1-CG 4.16Å; I116-E184 HydrophobicContact CG1-CB 4.19Å
117V85.8Confident75Confident1 Ų177.7 Ų77.71%0.00638%0.378CS..EExtended strand (participates in β ladder)trans-107.8109.1174.7-165.30000108.4L120 L129 E151 G152 I154 I179 R180 L181V117-L120 HydrophobicContact CB-CD1 4.15Å; V117-L120 HydrophobicContact CB-CG 4.27Å; V117-L120 HydrophobicContact CG1-CD1 4.26Å; V117-L120 HydrophobicContact CG1-CD2 3.85Å; V117-L120 HydrophobicContact CG1-CG 3.85Å; V117-L129 HydrophobicContact CB-CD1 4.24Å; V117-L129 HydrophobicContact CG2-CD1 3.94Å; V117-E151 CarbonylContact O-C 3.54Å; V117-E151 WeakPolarHBondContact O-CA 3.35Å; V117-G152 PolarHBondContact N-O 3.41Å; V117-G152 PolarHBondContact O-N 2.76Å; V117-I154 HydrophobicContact CG2-CD1 3.45Å; V117-I154 VanDerWaalsContact CG2-CD1 3.45Å; V117-I154 HydrophobicContact CG2-CG1 4.02Å; V117-I179 HydrophobicContact CG1-CB 3.76Å; V117-I179 HydrophobicContact CG1-CD1 3.88Å; V117-I179 HydrophobicContact CG1-CG1 4.44Å; V117-I179 HydrophobicContact CG1-CG2 3.94Å; V117-R180 CarbonylContact C-O 3.53Å; V117-R180 WeakPolarHBondContact CA-O 3.08Å; V117-L181 HydrophobicContact CB-CD2 4.29Å; V117-L181 HydrophobicContact CG1-CD2 4.01Å; V117-L181 HydrophobicContact CG2-CD2 3.74Å
118E85.6Confident76.6Confident73 Ų7375.4 Ų75.434%0.34136%0.359SS..EExtended strand (participates in β ladder)trans-92.4158.6177-58.3-179.8168.800110.9I116 L120 R180 V182I116-E118 HydrophobicContact CG2-CG 4.16Å; E118-L120 VanDerWaalsContact C-N 3.3Å; E118-L120 PolarHBondContact O-N 3.16Å; E118-R180 HydrophobicContact CB-CB 4.16Å; E118-R180 PolarHBondContact N-O 2.83Å; E118-R180 PolarHBondContact O-N 3.18Å; E118-V182 HydrophobicContact CG-CG2 4.24Å
119N81.7Confident78.1Confident80 Ų8072.2 Ų72.243%0.42834%0.338SS..SBendtrans57.532.4178.4-165.845.6000115.4N150 K178N119-N150 PolarHBondContact N-O 2.97Å; N119-N150 VanDerWaalsContact N-O 3.08Å; N119-K178 PolarHBondContact ND2-O 3.39Å
120L80.9Confident79.6Confident4 Ų469.1 Ų69.12%0.02132%0.316CS..  trans-58.2147.3169.6-76.9166.9000111.2V117 E118 C124 L129 N150 R177 I179V117-L120 HydrophobicContact CB-CD1 4.15Å; V117-L120 HydrophobicContact CB-CG 4.27Å; V117-L120 HydrophobicContact CG1-CD1 4.26Å; V117-L120 HydrophobicContact CG1-CD2 3.85Å; V117-L120 HydrophobicContact CG1-CG 3.85Å; E118-L120 VanDerWaalsContact C-N 3.3Å; E118-L120 PolarHBondContact O-N 3.16Å; L120-C124 HydrophobicContact CD2-CB 3.99Å; L120-L129 HydrophobicContact CD1-CD1 3.63Å; L120-L129 HydrophobicContact CD2-CD1 3.95Å; L120-L129 HydrophobicContact CG-CD1 4.41Å; L120-N150 PolarHBondContact N-O 3.01Å; L120-N150 VanDerWaalsContact O-CB 3.28Å; L120-N150 WeakPolarHBondContact O-CB 3.45Å; L120-N150 PolarHBondContact O-OD1 2.53Å; L120-R177 PolarHBondContact O-NH1 2.87Å; L120-I179 HydrophobicContact CD2-CG2 3.64Å; L120-I179 HydrophobicContact CG-CG2 4.34Å
121S76.1Confident81Confident14 Ų1463.9 Ų63.910%0.09830%0.303CS..  trans-63.7139.7162.8-166.50000109R123 C124 N175S121-R123 PolarHBondContact O-N 2.67Å; S121-C124 VanDerWaalsContact CB-SG 3.59Å; S121-C124 WeakPolarHBondContact O-CB 3.26Å; S121-C124 PolarHBondContact O-N 2.8Å; S121-N175 PolarHBondContact OG-O 2.74Å
122S73.1Confident82Confident73 Ų7365 Ų6551%0.5131%0.306SS..THydrogen-bonded Turntrans-63.1-9.417552.90000113.2
123R71.6Confident82.6Confident216 Ų21658 Ų5882%0.81527%0.273SS*.THydrogen-bonded Turntrans-95.8-7.8172.9-57.8-17468.6157.71.4114.1S121 S125S121-R123 PolarHBondContact O-N 2.67Å; R123-S125 PolarHBondContact O-N 3.01Å
124C75.9Confident82.8Confident11 Ų1161.7 Ų61.77%0.07429%0.286CS..  trans-74.2119.3173.3-65.90000110L120 S121 I174 N175L120-C124 HydrophobicContact CD2-CB 3.99Å; S121-C124 VanDerWaalsContact CB-SG 3.59Å; S121-C124 WeakPolarHBondContact O-CB 3.26Å; S121-C124 PolarHBondContact O-N 2.8Å; C124-I174 VanDerWaalsContact SG-CG2 3.58Å; C124-N175 PolarHBondContact SG-ND2 3.48Å
125S83.6Confident82.6Confident41 Ų4165.2 Ų65.229%0.28731%0.306SS..  trans-83.7170.3168.576.90000111.2R123 Q127 D128 L129R123-S125 PolarHBondContact O-N 3.01Å; S125-Q127 PolarHBondContact O-N 2.88Å; S125-Q127 WeakPolarHBondContact OG-CB 3.33Å; S125-Q127 PolarHBondContact OG-N 3.38Å; S125-Q127 VanDerWaalsContact OG-N 3.11Å; S125-D128 WeakPolarHBondContact CA-OD2 3.43Å; S125-D128 VanDerWaalsContact CB-OD2 3.26Å; S125-D128 WeakPolarHBondContact CB-OD2 3.48Å; S125-D128 PolarHBondContact N-OD2 3.34Å; S125-D128 PolarHBondContact OG-N 2.69Å; S125-D128 PolarHBondContact OG-OD2 2.73Å; S125-L129 WeakPolarHBondContact O-CB 3.16Å; S125-L129 PolarHBondContact O-N 3.31Å
126W86Confident82.2Confident130 Ų13065.8 Ų65.849%0.49231%0.311SS..Hα-helixtrans-64.8-17.5170.163.9-96.3000112.8K130 A144W126-K130 WeakPolarHBondContact O-CB 3.01Å; W126-K130 PolarHBondContact O-N 3.11Å; W126-A144 HydrophobicContact CB-CB 4.09Å
127Q85.6Confident81.9Confident110 Ų11064.8 Ų64.851%0.51431%0.31SS..Hα-helixtrans-76.4-52.3177.2-61.7-179.73.500110.3S125 L129 K130 D131S125-Q127 PolarHBondContact O-N 2.88Å; S125-Q127 WeakPolarHBondContact OG-CB 3.33Å; S125-Q127 PolarHBondContact OG-N 3.38Å; S125-Q127 VanDerWaalsContact OG-N 3.11Å; Q127-L129 VanDerWaalsContact C-N 3.25Å; Q127-L129 PolarHBondContact O-N 3.47Å; Q127-K130 PolarHBondContact O-N 2.59Å; Q127-D131 PolarHBondContact O-N 3.43Å
128D86.4Confident81.8Confident72 Ų7271.9 Ų71.939%0.38534%0.344SS..Hα-helixtrans-55.8-45.4176.4-46.1-73.7000110.6S125 K130 D131 F132S125-D128 WeakPolarHBondContact CA-OD2 3.43Å; S125-D128 VanDerWaalsContact CB-OD2 3.26Å; S125-D128 WeakPolarHBondContact CB-OD2 3.48Å; S125-D128 PolarHBondContact N-OD2 3.34Å; S125-D128 PolarHBondContact OG-N 2.69Å; S125-D128 PolarHBondContact OG-OD2 2.73Å; D128-K130 VanDerWaalsContact C-N 3.34Å; D128-K130 PolarHBondContact O-N 2.78Å; D128-D131 PolarHBondContact O-N 2.91Å; D128-F132 WeakPolarHBondContact O-CB 3.39Å; D128-F132 PolarHBondContact O-N 3.46Å
129L84.4Confident81.7Confident3 Ų368.6 Ų68.62%0.01633%0.329CS..Hα-helixtrans-64.8-33.4177.6169.6148.9000112.8V117 L120 S125 Q127 M133 A142 I154V117-L129 HydrophobicContact CB-CD1 4.24Å; V117-L129 HydrophobicContact CG2-CD1 3.94Å; L120-L129 HydrophobicContact CD1-CD1 3.63Å; L120-L129 HydrophobicContact CD2-CD1 3.95Å; L120-L129 HydrophobicContact CG-CD1 4.41Å; S125-L129 WeakPolarHBondContact O-CB 3.16Å; S125-L129 PolarHBondContact O-N 3.31Å; Q127-L129 VanDerWaalsContact C-N 3.25Å; Q127-L129 PolarHBondContact O-N 3.47Å; L129-M133 VanDerWaalsContact O-CB 3.31Å; L129-M133 WeakPolarHBondContact O-CB 3.47Å; L129-M133 WeakPolarHBondContact O-CG 3.38Å; L129-M133 PolarHBondContact O-N 2.7Å; L129-A142 HydrophobicContact CD2-CB 3.86Å; L129-I154 HydrophobicContact CD1-CD1 4.42Å; L129-I154 HydrophobicContact CD2-CD1 3.82Å; L129-I154 HydrophobicContact CD2-CG1 3.51Å; L129-I154 HydrophobicContact CG-CD1 3.96Å; L129-I154 HydrophobicContact CG-CG1 4.18Å
130K85.6Confident81.8Confident44 Ų4466.6 Ų66.619%0.19132%0.319CS..Hα-helixtrans-74.8-46174.3-178165.4-176.1163.30112W126 Q127 D128 M133 R134 V139 A142W126-K130 WeakPolarHBondContact O-CB 3.01Å; W126-K130 PolarHBondContact O-N 3.11Å; Q127-K130 PolarHBondContact O-N 2.59Å; D128-K130 VanDerWaalsContact C-N 3.34Å; D128-K130 PolarHBondContact O-N 2.78Å; K130-M133 PolarHBondContact O-N 2.76Å; K130-R134 WeakPolarHBondContact O-CG 3.48Å; K130-R134 PolarHBondContact O-N 3.49Å; K130-V139 HydrophobicContact CD-CG1 4.34Å; K130-V139 VanDerWaalsContact CE-O 3.29Å; K130-V139 WeakPolarHBondContact CE-O 3.25Å; K130-V139 HydrophobicContact CG-CB 4.15Å; K130-V139 HydrophobicContact CG-CG1 4.04Å; K130-V139 PolarHBondContact NZ-O 2.83Å; K130-V139 VanDerWaalsContact NZ-O 3.12Å; K130-A142 HydrophobicContact CB-CB 3.79Å; K130-A142 HydrophobicContact CD-CB 4.16Å; K130-A142 HydrophobicContact CG-CB 4.23Å
131D86.9Confident81.8Confident94 Ų9470.4 Ų70.450%0.50333%0.334SS..Hα-helixtrans-72.6-31.4-177.1-78-23.3000112.7Q127 D128 R134Q127-D131 PolarHBondContact O-N 3.43Å; D128-D131 PolarHBondContact O-N 2.91Å; D131-R134 VanDerWaalsContact OD1-CD 3.25Å; D131-R134 WeakPolarHBondContact OD1-CD 3.48Å; D131-R134 IonicContact OD1-CZ 2.75Å; D131-R134 IonicContact OD1-NE 2.82Å; D131-R134 IonicContact OD1-NH1 2.85Å; D131-R134 PolarHBondContact OD1-NH1 3.36Å
132F84.2Confident82.3Confident49 Ų4970.4 Ų70.422%0.21534%0.335CS..Hα-helixtrans-61.6-48.1166.3-172.2-110.2000111.6D128 R134 Q135 L169 T172 I174 I179D128-F132 WeakPolarHBondContact O-CB 3.39Å; D128-F132 PolarHBondContact O-N 3.46Å; F132-R134 VanDerWaalsContact C-N 3.28Å; F132-R134 PolarHBondContact O-N 3.31Å; F132-Q135 WeakPolarHBondContact O-CB 3.37Å; F132-Q135 PolarHBondContact O-N 3.49Å; F132-L169 HydrophobicContact CD1-CD1 4.41Å; F132-L169 HydrophobicContact CE1-CB 3.85Å; F132-L169 HydrophobicContact CE1-CD1 4.27Å; F132-L169 HydrophobicContact CE1-CD2 3.79Å; F132-L169 HydrophobicContact CE1-CG 4.17Å; F132-L169 HydrophobicContact CE2-CD2 4.4Å; F132-L169 HydrophobicContact CZ-CB 4.47Å; F132-L169 HydrophobicContact CZ-CD2 3.69Å; F132-T172 VanDerWaalsContact CE1-OG1 3.3Å; F132-T172 WeakPolarHBondContact CE1-OG1 3.49Å; F132-T172 HydrophobicContact CZ-CG2 4.1Å; F132-T172 WeakPolarHBondContact CZ-OG1 3.26Å; F132-I174 HydrophobicContact CB-CD1 4.33Å; F132-I174 HydrophobicContact CD1-CD1 3.38Å; F132-I174 HydrophobicContact CD1-CG1 4.17Å; F132-I174 HydrophobicContact CD2-CD1 4.41Å; F132-I174 HydrophobicContact CE1-CD1 3.67Å; F132-I174 HydrophobicContact CE1-CG1 4.08Å; F132-I174 HydrophobicContact CG-CD1 3.79Å; F132-I174 HydrophobicContact CG-CG1 4.4Å; F132-I174 HydrophobicContact CZ-CD1 4.32Å; F132-I174 HydrophobicContact CZ-CG1 4.26Å; F132-I179 HydrophobicContact CE1-CD1 4.17Å
133M82.1Confident82.8Confident2 Ų268 Ų681%0.0132%0.316CS..Hα-helixtrans-77.8-13.4-174-67.4-79.6-93.100113.5L115 L129 K130 Q135 A136 G137 V139 I154 F156 A165 L169 L181L115-M133 HydrophobicContact CD1-CE 3.94Å; L129-M133 VanDerWaalsContact O-CB 3.31Å; L129-M133 WeakPolarHBondContact O-CB 3.47Å; L129-M133 WeakPolarHBondContact O-CG 3.38Å; L129-M133 PolarHBondContact O-N 2.7Å; K130-M133 PolarHBondContact O-N 2.76Å; M133-Q135 PolarHBondContact O-N 2.95Å; M133-A136 PolarHBondContact O-N 3.08Å; M133-G137 PolarHBondContact O-N 2.8Å; M133-V139 HydrophobicContact CB-CG2 3.83Å; M133-I154 HydrophobicContact CB-CD1 4.26Å; M133-I154 HydrophobicContact CE-CD1 3.27Å; M133-I154 HydrophobicContact CG-CD1 3.62Å; M133-I154 HydrophobicContact SD-CD1 4.25Å; M133-F156 HydrophobicContact CB-CZ 4.14Å; M133-F156 HydrophobicContact CE-CE2 3.92Å; M133-F156 HydrophobicContact CE-CZ 3.83Å; M133-F156 HydrophobicContact SD-CZ 4.45Å; M133-A165 HydrophobicContact CE-CB 3.75Å; M133-A165 HydrophobicContact SD-CB 4.05Å; M133-L169 HydrophobicContact CG-CD1 4.41Å; M133-L169 HydrophobicContact SD-CB 3.87Å; M133-L169 HydrophobicContact SD-CD1 3.39Å; M133-L169 WeakPolarHBondContact SD-CD1 3.35Å; M133-L169 HydrophobicContact SD-CG 4.28Å; M133-L181 HydrophobicContact CE-CD1 3.67Å; M133-L181 HydrophobicContact CE-CD2 3.53Å; M133-L181 HydrophobicContact CE-CG 4.28Å; M133-L181 HydrophobicContact SD-CD1 4.16Å
134R83Confident83.2Confident159 Ų15958.5 Ų58.560%0.629%0.285SS*.THydrogen-bonded Turntrans-61-17.6162.2-77.8169.566.9-161.6-0.9113.6K130 D131 F132 A136 G137K130-R134 WeakPolarHBondContact O-CG 3.48Å; K130-R134 PolarHBondContact O-N 3.49Å; D131-R134 VanDerWaalsContact OD1-CD 3.25Å; D131-R134 WeakPolarHBondContact OD1-CD 3.48Å; D131-R134 IonicContact OD1-CZ 2.75Å; D131-R134 IonicContact OD1-NE 2.82Å; D131-R134 IonicContact OD1-NH1 2.85Å; D131-R134 PolarHBondContact OD1-NH1 3.36Å; F132-R134 VanDerWaalsContact C-N 3.28Å; F132-R134 PolarHBondContact O-N 3.31Å; R134-A136 PolarHBondContact O-N 3.13Å; R134-G137 WeakPolarHBondContact CA-O 3.49Å
135Q81.6Confident82.7Confident152 Ų15262.5 Ų62.571%0.7130%0.302SS*.THydrogen-bonded Turntrans-67.5-22.6170.3-169.6175.2-14.700112.6F132 M133F132-Q135 WeakPolarHBondContact O-CB 3.37Å; F132-Q135 PolarHBondContact O-N 3.49Å; M133-Q135 PolarHBondContact O-N 2.95Å
136A78.9Confident81.7Confident13 Ų1367 Ų6711%0.10732%0.316CS..THydrogen-bonded Turntrans-102.1-28177.200000114.5M133 R134 R164 A165 L169M133-A136 PolarHBondContact O-N 3.08Å; R134-A136 PolarHBondContact O-N 3.13Å; A136-R164 HydrophobicContact CB-CB 4.17Å; A136-A165 HydrophobicContact CB-CB 3.67Å; A136-L169 HydrophobicContact CB-CD1 3.54Å; A136-L169 HydrophobicContact CB-CG 4.35Å
137G81.8Confident80.1Confident19 Ų1969.4 Ų69.420%0.19633%0.333CS..SBendtrans161.6-161.5171.500000114.6M133 R134 V139M133-G137 PolarHBondContact O-N 2.8Å; R134-G137 WeakPolarHBondContact CA-O 3.49Å; G137-V139 PolarHBondContact O-N 3.35Å
138E82.6Confident78.7Confident150 Ų15072 Ų7270%0.70134%0.338SS*.  trans-80.2112.5-170.3-168.8171.2-172.300113.1T140 G157E138-T140 PolarHBondContact O-N 2.79Å; E138-G157 PolarHBondContact O-N 2.86Å
139V84.1Confident77.6Confident5 Ų572.8 Ų72.83%0.0335%0.345CS..EExtended strand (participates in β ladder)trans-87.8105.1177.6177.90000110.7K130 M133 G137 Y141 A142 I154 F156K130-V139 HydrophobicContact CD-CG1 4.34Å; K130-V139 VanDerWaalsContact CE-O 3.29Å; K130-V139 WeakPolarHBondContact CE-O 3.25Å; K130-V139 HydrophobicContact CG-CB 4.15Å; K130-V139 HydrophobicContact CG-CG1 4.04Å; K130-V139 PolarHBondContact NZ-O 2.83Å; K130-V139 VanDerWaalsContact NZ-O 3.12Å; M133-V139 HydrophobicContact CB-CG2 3.83Å; G137-V139 PolarHBondContact O-N 3.35Å; V139-Y141 VanDerWaalsContact CG1-O 3.23Å; V139-Y141 WeakPolarHBondContact CG1-O 3.45Å; V139-A142 HydrophobicContact CG1-CB 3.91Å; V139-I154 HydrophobicContact CG1-CG2 3.93Å; V139-I154 HydrophobicContact CG2-CG2 4.25Å; V139-F156 HydrophobicContact CG2-CD1 4.13Å; V139-F156 HydrophobicContact CG2-CE1 3.67Å; V139-F156 HydrophobicContact CG2-CZ 4.15Å
140T82.7Confident77.1Confident38 Ų3874.8 Ų74.823%0.23336%0.356CS..EExtended strand (participates in β ladder)trans-73.2-38.8179-54.90000111.8P108 E138 E155 G157P108-T140 HydrophobicContact CB-CG2 4.36Å; E138-T140 PolarHBondContact O-N 2.79Å; T140-E155 PolarHBondContact N-O 2.58Å; T140-G157 WeakPolarHBondContact OG1-CA 3.17Å; T140-G157 PolarHBondContact OG1-N 2.93Å
141Y82.5Confident76.9Confident83 Ų8375.5 Ų75.533%0.32536%0.36SS..EExtended strand (participates in β ladder)trans-139.7142.3176.3-173.5-95.9000110.8V139 D143 K146 I154 E155V139-Y141 VanDerWaalsContact CG1-O 3.23Å; V139-Y141 WeakPolarHBondContact CG1-O 3.45Å; Y141-D143 HydrophobicContact CE1-CB 3.77Å; Y141-D143 WeakPolarHBondContact CE1-OD2 3.44Å; Y141-D143 PolarHBondContact OH-OD2 2.8Å; Y141-K146 PolarHBondContact OH-NZ 3.09Å; Y141-K146 VanDerWaalsContact OH-NZ 3.16Å; Y141-I154 WeakPolarHBondContact O-CA 3.2Å; Y141-E155 PolarHBondContact N-O 3.12Å; Y141-E155 VanDerWaalsContact N-O 3.11Å; Y141-E155 PolarHBondContact O-N 3.5Å
142A85.3Confident76.9Confident15 Ų1571.2 Ų71.212%0.12434%0.338CS..EExtended strand (participates in β ladder)trans-143.9139.7178.600000109.5L129 K130 V139 V153L129-A142 HydrophobicContact CD2-CB 3.86Å; K130-A142 HydrophobicContact CB-CB 3.79Å; K130-A142 HydrophobicContact CD-CB 4.16Å; K130-A142 HydrophobicContact CG-CB 4.23Å; V139-A142 HydrophobicContact CG1-CB 3.91Å; A142-V153 CarbonylContact C-O 3.51Å; A142-V153 WeakPolarHBondContact CA-O 3.36Å
143D83.3Confident77Confident21 Ų2170 Ų7011%0.11234%0.335CS..EExtended strand (participates in β ladder)trans-152149.9-175.5-141.6-44.5000109.7Y141 K146 G152 V153Y141-D143 HydrophobicContact CE1-CB 3.77Å; Y141-D143 WeakPolarHBondContact CE1-OD2 3.44Å; Y141-D143 PolarHBondContact OH-OD2 2.8Å; D143-K146 IonicContact OD1-NZ 3.63Å; D143-K146 VanDerWaalsContact OD2-CD 3.27Å; D143-K146 WeakPolarHBondContact OD2-CD 3.35Å; D143-K146 WeakPolarHBondContact OD2-CE 3.24Å; D143-K146 IonicContact OD2-NZ 3.6Å; D143-K146 PolarHBondContact OD2-NZ 3.1Å; D143-G152 WeakPolarHBondContact O-CA 3.44Å; D143-V153 HydrophobicContact CB-CB 4.15Å; D143-V153 PolarHBondContact N-O 2.99Å; D143-V153 PolarHBondContact O-N 2.74Å
144A80.8Confident77.3Confident18 Ų1869.9 Ų69.915%0.14933%0.334CS..EExtended strand (participates in β ladder)trans-143.3141-178.800000109.7W126 K146W126-A144 HydrophobicContact CB-CB 4.09Å; A144-K146 PolarHBondContact O-N 2.91Å
145H66.4Low77.5Confident94 Ų9463.3 Ų63.344%0.43531%0.31SS..SBendtrans65.533.8172-146.9114.3000114.5T149 E151H145-T149 WeakPolarHBondContact NE2-CG2 3.43Å; H145-E151 WeakPolarHBondContact CA-O 3.42Å; H145-E151 PolarHBondContact N-O 3.01Å
146K60.9Low77.8Confident135 Ų13556 Ų5659%0.58728%0.276SS*.SBendtrans-89.4-33.6-167.2-146.7-178.1-156.9157.70116.7Y141 D143 A144Y141-K146 PolarHBondContact OH-NZ 3.09Å; Y141-K146 VanDerWaalsContact OH-NZ 3.16Å; D143-K146 IonicContact OD1-NZ 3.63Å; D143-K146 VanDerWaalsContact OD2-CD 3.27Å; D143-K146 WeakPolarHBondContact OD2-CD 3.35Å; D143-K146 WeakPolarHBondContact OD2-CE 3.24Å; D143-K146 IonicContact OD2-NZ 3.6Å; D143-K146 PolarHBondContact OD2-NZ 3.1Å; A144-K146 PolarHBondContact O-N 2.91Å
147E53.6Low78Confident181 Ų18157.3 Ų57.385%0.84629%0.29SS*.SBendtrans-121.3-25.7177.2-68.4-172.4-16800112.7
148R56Low78.1Confident166 Ų16658.2 Ų58.263%0.62629%0.294SS*.SBendtrans-143155176.1-73.3173.3164.9-167.9-1.7111.1E151R148-E151 HydrophobicContact CB-CB 4.24Å; R148-E151 HydrophobicContact CB-CG 4.13Å; R148-E151 WeakPolarHBondContact CD-OE1 3.44Å; R148-E151 WeakPolarHBondContact CD-OE2 3.42Å; R148-E151 IonicContact CZ-OE1 3.84Å; R148-E151 IonicContact NE-OE1 2.71Å; R148-E151 IonicContact NH1-OE1 3.66Å; R148-E151 PolarHBondContact NH1-OE1 2.99Å; R148-E151 VanDerWaalsContact NH1-OE1 3.08Å
149T63.9Low78.1Confident87 Ų8758.9 Ų58.953%0.53429%0.29SS..THydrogen-bonded Turntrans-67141.1170.471.40000108.7H145 E151H145-T149 WeakPolarHBondContact NE2-CG2 3.43Å; T149-E151 VanDerWaalsContact C-N 3.28Å; T149-E151 PolarHBondContact O-N 2.95Å
150N73.1Confident78.2Confident46 Ų4661.9 Ų61.925%0.24631%0.311CS..THydrogen-bonded Turntrans69.311-178.2-32.2-75.3000116N119 L120 R177N119-N150 PolarHBondContact N-O 2.97Å; N119-N150 VanDerWaalsContact N-O 3.08Å; L120-N150 PolarHBondContact N-O 3.01Å; L120-N150 VanDerWaalsContact O-CB 3.28Å; L120-N150 WeakPolarHBondContact O-CB 3.45Å; L120-N150 PolarHBondContact O-OD1 2.53Å; N150-R177 PolarHBondContact OD1-NH1 2.78Å
151E82.3Confident78.4Confident59 Ų5961.2 Ų61.228%0.27631%0.306SS..  trans-115.2147.4173.5-69.9177.3-160.700111.7V117 H145 R148 T149V117-E151 CarbonylContact O-C 3.54Å; V117-E151 WeakPolarHBondContact O-CA 3.35Å; H145-E151 WeakPolarHBondContact CA-O 3.42Å; H145-E151 PolarHBondContact N-O 3.01Å; R148-E151 HydrophobicContact CB-CB 4.24Å; R148-E151 HydrophobicContact CB-CG 4.13Å; R148-E151 WeakPolarHBondContact CD-OE1 3.44Å; R148-E151 WeakPolarHBondContact CD-OE2 3.42Å; R148-E151 IonicContact CZ-OE1 3.84Å; R148-E151 IonicContact NE-OE1 2.71Å; R148-E151 IonicContact NH1-OE1 3.66Å; R148-E151 PolarHBondContact NH1-OE1 2.99Å; R148-E151 VanDerWaalsContact NH1-OE1 3.08Å; T149-E151 VanDerWaalsContact C-N 3.28Å; T149-E151 PolarHBondContact O-N 2.95Å
152G85.7Confident78.6Confident4 Ų457.5 Ų57.54%0.04129%0.292CS..EExtended strand (participates in β ladder)trans-146172-179.300000113I116 V117 D143I116-G152 WeakPolarHBondContact CA-O 3.28Å; V117-G152 PolarHBondContact N-O 3.41Å; V117-G152 PolarHBondContact O-N 2.76Å; D143-G152 WeakPolarHBondContact O-CA 3.44Å
153V87.4Confident78.7Confident23 Ų2365.5 Ų65.514%0.13932%0.319CS..EExtended strand (participates in β ladder)trans-141.1134.8-171.1171.30000110.6R114 L115 A142 D143R114-V153 HydrophobicContact CG-CG1 4.12Å; R114-V153 VanDerWaalsContact NH2-CG2 3.32Å; L115-V153 WeakPolarHBondContact O-CA 3.37Å; A142-V153 CarbonylContact C-O 3.51Å; A142-V153 WeakPolarHBondContact CA-O 3.36Å; D143-V153 HydrophobicContact CB-CB 4.15Å; D143-V153 PolarHBondContact N-O 2.99Å; D143-V153 PolarHBondContact O-N 2.74Å
154I87.9Confident78.8Confident0 Ų071 Ų710%034%0.338CS..EExtended strand (participates in β ladder)trans-132.8143.4179-62.9166.2000109.3R114 L115 V117 L129 M133 V139 Y141 F156R114-I154 CarbonylContact C-O 3.49Å; R114-I154 VanDerWaalsContact CA-O 3.23Å; R114-I154 WeakPolarHBondContact CA-O 3.39Å; L115-I154 HydrophobicContact CB-CB 4.47Å; L115-I154 PolarHBondContact N-O 2.83Å; L115-I154 PolarHBondContact O-N 2.83Å; V117-I154 HydrophobicContact CG2-CD1 3.45Å; V117-I154 VanDerWaalsContact CG2-CD1 3.45Å; V117-I154 HydrophobicContact CG2-CG1 4.02Å; L129-I154 HydrophobicContact CD1-CD1 4.42Å; L129-I154 HydrophobicContact CD2-CD1 3.82Å; L129-I154 HydrophobicContact CD2-CG1 3.51Å; L129-I154 HydrophobicContact CG-CD1 3.96Å; L129-I154 HydrophobicContact CG-CG1 4.18Å; M133-I154 HydrophobicContact CB-CD1 4.26Å; M133-I154 HydrophobicContact CE-CD1 3.27Å; M133-I154 HydrophobicContact CG-CD1 3.62Å; M133-I154 HydrophobicContact SD-CD1 4.25Å; V139-I154 HydrophobicContact CG1-CG2 3.93Å; V139-I154 HydrophobicContact CG2-CG2 4.25Å; Y141-I154 WeakPolarHBondContact O-CA 3.2Å; I154-F156 HydrophobicContact CG2-CD2 3.79Å; I154-F156 HydrophobicContact CG2-CE2 3.5Å; I154-F156 HydrophobicContact CG2-CZ 4.01Å
155E87.1Confident79.1Confident20 Ų2070.1 Ų70.19%0.09333%0.331CS..EExtended strand (participates in β ladder)trans-128.1119173.3-141.1-174.57800108.4R110 T111 R114 T140 Y141R110-E155 VanDerWaalsContact CA-OE1 3.28Å; R110-E155 WeakPolarHBondContact CA-OE1 3.27Å; T111-E155 PolarHBondContact N-OE1 3.22Å; T111-E155 VanDerWaalsContact N-OE1 3.17Å; R114-E155 HydrophobicContact CB-CG 4.44Å; T140-E155 PolarHBondContact N-O 2.58Å; Y141-E155 PolarHBondContact N-O 3.12Å; Y141-E155 VanDerWaalsContact N-O 3.11Å; Y141-E155 PolarHBondContact O-N 3.5Å
156F86.9Confident80Confident0 Ų068 Ų680%032%0.323CS..EExtended strand (participates in β ladder)trans-94.6145.8-178.3-78.6-84.7000112T111 Y113 L115 M133 V139 I154 S158 D161 M162 A165T111-F156 WeakPolarHBondContact CB-O 3.09Å; T111-F156 WeakPolarHBondContact CG2-O 3.47Å; T111-F156 PolarHBondContact OG1-O 2.71Å; Y113-F156 PolarHBondContact O-N 2.88Å; L115-F156 HydrophobicContact CD1-CD2 4.45Å; L115-F156 HydrophobicContact CD1-CE2 3.81Å; L115-F156 HydrophobicContact CG-CD2 4.46Å; L115-F156 HydrophobicContact CG-CE2 4.24Å; M133-F156 HydrophobicContact CB-CZ 4.14Å; M133-F156 HydrophobicContact CE-CE2 3.92Å; M133-F156 HydrophobicContact CE-CZ 3.83Å; M133-F156 HydrophobicContact SD-CZ 4.45Å; V139-F156 HydrophobicContact CG2-CD1 4.13Å; V139-F156 HydrophobicContact CG2-CE1 3.67Å; V139-F156 HydrophobicContact CG2-CZ 4.15Å; I154-F156 HydrophobicContact CG2-CD2 3.79Å; I154-F156 HydrophobicContact CG2-CE2 3.5Å; I154-F156 HydrophobicContact CG2-CZ 4.01Å; F156-S158 PolarHBondContact O-N 2.85Å; F156-D161 HydrophobicContact CD1-CB 3.91Å; F156-D161 HydrophobicContact CE1-CB 4.43Å; F156-M162 HydrophobicContact CB-CB 4.18Å; F156-M162 HydrophobicContact CD2-CB 3.88Å; F156-M162 HydrophobicContact CD2-CG 4.21Å; F156-M162 HydrophobicContact CG-CB 4.19Å; F156-A165 HydrophobicContact CE1-CB 4.43Å; F156-A165 HydrophobicContact CE2-CB 3.87Å; F156-A165 HydrophobicContact CZ-CB 3.54Å
157G83.5Confident81.2Confident39 Ų3967.1 Ų67.140%0.40232%0.324SS..SBendtrans-63.3-22.5172.500000113.6E138 T140E138-G157 PolarHBondContact O-N 2.86Å; T140-G157 WeakPolarHBondContact OG1-CA 3.17Å; T140-G157 PolarHBondContact OG1-N 2.93Å
158S83.4Confident82.6Confident39 Ų3965.5 Ų65.527%0.27331%0.314SS..  trans-140139.8-171.9178.70000113.3F156 S160 D161 M162F156-S158 PolarHBondContact O-N 2.85Å; S158-S160 PolarHBondContact O-N 2.83Å; S158-S160 PolarHBondContact OG-N 3.08Å; S158-D161 WeakPolarHBondContact CB-OD2 3.48Å; S158-D161 PolarHBondContact O-N 3.49Å; S158-M162 PolarHBondContact O-N 2.87Å; S158-M162 VanDerWaalsContact O-N 3.07Å
159R83.1Confident83.8Confident164 Ų16457.8 Ų57.862%0.61929%0.286SS*.Hα-helixtrans-59.1-34.2171.4-163.7-178.9175.2-135.2-4.5112.4Y113 D161 M162 R163Y113-R159 HydrophobicContact CD1-CB 3.86Å; Y113-R159 HydrophobicContact CD1-CG 3.99Å; Y113-R159 HydrophobicContact CD2-CB 4.45Å; Y113-R159 HydrophobicContact CE1-CB 3.52Å; Y113-R159 HydrophobicContact CE1-CG 3.75Å; Y113-R159 HydrophobicContact CE2-CB 4.15Å; Y113-R159 HydrophobicContact CG-CB 4.32Å; R159-D161 VanDerWaalsContact C-N 3.3Å; R159-D161 PolarHBondContact O-N 2.87Å; R159-M162 HydrophobicContact CG-CE 4.22Å; R159-R163 WeakPolarHBondContact O-CB 3.3Å; R159-R163 PolarHBondContact O-N 2.83Å
160S86.6Confident84.8Confident67 Ų6757.4 Ų57.447%0.46928%0.28SS..Hα-helixtrans-65.9-36.8179.9-57.70000111.4S158 R163 R164S158-S160 PolarHBondContact O-N 2.83Å; S158-S160 PolarHBondContact OG-N 3.08Å; S160-R163 PolarHBondContact O-N 3.18Å; S160-R164 WeakPolarHBondContact O-CD 3.34Å; S160-R164 VanDerWaalsContact O-CG 3.24Å; S160-R164 WeakPolarHBondContact O-CG 3.28Å; S160-R164 PolarHBondContact O-N 2.86Å
161D87.4Confident85.2Confident25 Ų2556.5 Ų56.513%0.13428%0.282CS..Hα-helixtrans-80.3-39.6-177.5-60.8-16000110.8F156 S158 R159 R163 R164 A165F156-D161 HydrophobicContact CD1-CB 3.91Å; F156-D161 HydrophobicContact CE1-CB 4.43Å; S158-D161 WeakPolarHBondContact CB-OD2 3.48Å; S158-D161 PolarHBondContact O-N 3.49Å; R159-D161 VanDerWaalsContact C-N 3.3Å; R159-D161 PolarHBondContact O-N 2.87Å; D161-R163 VanDerWaalsContact C-N 3.28Å; D161-R163 PolarHBondContact O-N 3.1Å; D161-R164 PolarHBondContact O-N 3.31Å; D161-R164 IonicContact OD1-CZ 3.74Å; D161-R164 IonicContact OD1-NH1 3.81Å; D161-R164 PolarHBondContact OD1-NH1 3.17Å; D161-A165 WeakPolarHBondContact O-CB 3.23Å; D161-A165 PolarHBondContact O-N 2.84Å
162M85.5Confident85.1Confident5 Ų555.3 Ų55.33%0.02528%0.278CS..Hα-helixtrans-54-44.6166-175.1-177.275.200111.9Y113 L115 F156 S158 R159 A165 L166 E183Y113-M162 VanDerWaalsContact C-SD 3.5Å; Y113-M162 WeakPolarHBondContact CA-SD 3.33Å; Y113-M162 HydrophobicContact CD1-CE 4.17Å; Y113-M162 HydrophobicContact CD1-SD 4.41Å; Y113-M162 HydrophobicContact CG-SD 4.49Å; L115-M162 HydrophobicContact CD1-CG 4.17Å; L115-M162 HydrophobicContact CD2-CG 3.46Å; L115-M162 VanDerWaalsContact CD2-CG 3.46Å; L115-M162 HydrophobicContact CD2-SD 3.82Å; L115-M162 HydrophobicContact CG-CG 3.78Å; L115-M162 HydrophobicContact CG-SD 4.45Å; F156-M162 HydrophobicContact CB-CB 4.18Å; F156-M162 HydrophobicContact CD2-CB 3.88Å; F156-M162 HydrophobicContact CD2-CG 4.21Å; F156-M162 HydrophobicContact CG-CB 4.19Å; S158-M162 PolarHBondContact O-N 2.87Å; S158-M162 VanDerWaalsContact O-N 3.07Å; R159-M162 HydrophobicContact CG-CE 4.22Å; M162-A165 PolarHBondContact O-N 3.25Å; M162-L166 HydrophobicContact CG-CD1 4.38Å; M162-L166 WeakPolarHBondContact O-CG 3.4Å; M162-L166 PolarHBondContact O-N 3.47Å; M162-E183 HydrophobicContact CE-CG 4.14Å; M162-E183 VanDerWaalsContact CE-OE1 3.26Å; M162-E183 WeakPolarHBondContact CE-OE1 3.44Å; M162-E183 HydrophobicContact SD-CG 4.42Å
163R87.2Confident85Confident183 Ų18359.9 Ų59.969%0.69130%0.302SS*.Hα-helixtrans-67.4-41.2176.7-171.6179.7177.5-145.8-5.9112.2R159 S160 D161 A165 L166 D167R159-R163 WeakPolarHBondContact O-CB 3.3Å; R159-R163 PolarHBondContact O-N 2.83Å; S160-R163 PolarHBondContact O-N 3.18Å; D161-R163 VanDerWaalsContact C-N 3.28Å; D161-R163 PolarHBondContact O-N 3.1Å; R163-A165 VanDerWaalsContact C-N 3.26Å; R163-A165 PolarHBondContact O-N 2.89Å; R163-L166 PolarHBondContact O-N 2.68Å; R163-D167 WeakPolarHBondContact O-CB 3.18Å; R163-D167 PolarHBondContact O-N 3.09Å
164R86.4Confident84.5Confident135 Ų13559.6 Ų59.651%0.50930%0.299SS..Hα-helixtrans-61-35.8174.4-74.5160.8175.1158.4-7112.2A136 S160 D161 D167 K168A136-R164 HydrophobicContact CB-CB 4.17Å; S160-R164 WeakPolarHBondContact O-CD 3.34Å; S160-R164 VanDerWaalsContact O-CG 3.24Å; S160-R164 WeakPolarHBondContact O-CG 3.28Å; S160-R164 PolarHBondContact O-N 2.86Å; D161-R164 PolarHBondContact O-N 3.31Å; D161-R164 IonicContact OD1-CZ 3.74Å; D161-R164 IonicContact OD1-NH1 3.81Å; D161-R164 PolarHBondContact OD1-NH1 3.17Å; R164-D167 PolarHBondContact O-N 3.01Å; R164-K168 WeakPolarHBondContact O-CB 3.36Å; R164-K168 PolarHBondContact O-N 3.02Å; R164-K168 VanDerWaalsContact O-N 3.1Å
165A86.5Confident83.7Confident0 Ų064 Ų640%032%0.323CS..Hα-helixtrans-67.8-49.9175.700000111L115 M133 A136 F156 D161 M162 R163 D167 K168 L169 L181L115-A165 HydrophobicContact CD1-CB 4.18Å; M133-A165 HydrophobicContact CE-CB 3.75Å; M133-A165 HydrophobicContact SD-CB 4.05Å; A136-A165 HydrophobicContact CB-CB 3.67Å; F156-A165 HydrophobicContact CE1-CB 4.43Å; F156-A165 HydrophobicContact CE2-CB 3.87Å; F156-A165 HydrophobicContact CZ-CB 3.54Å; D161-A165 WeakPolarHBondContact O-CB 3.23Å; D161-A165 PolarHBondContact O-N 2.84Å; M162-A165 PolarHBondContact O-N 3.25Å; R163-A165 VanDerWaalsContact C-N 3.26Å; R163-A165 PolarHBondContact O-N 2.89Å; A165-D167 PolarHBondContact O-N 3.08Å; A165-K168 PolarHBondContact O-N 2.98Å; A165-L169 HydrophobicContact CB-CD1 4.38Å; A165-L169 WeakPolarHBondContact O-CA 3.34Å; A165-L169 VanDerWaalsContact O-CB 3.32Å; A165-L169 WeakPolarHBondContact O-CB 3.12Å; A165-L169 PolarHBondContact O-N 3.5Å; A165-L181 HydrophobicContact CB-CD1 4.3Å; A165-L181 VanDerWaalsContact O-CD1 3.29Å; A165-L181 WeakPolarHBondContact O-CD1 3.16Å
166L86.6Confident83.2Confident51 Ų5166.4 Ų66.427%0.26735%0.354SS..Hα-helixtrans-56.6-34.4173.9-72.6163.4000113.4L115 M162 R163 D170 L181 E183L115-L166 HydrophobicContact CD1-CD2 4.31Å; L115-L166 HydrophobicContact CD1-CG 4.09Å; L115-L166 HydrophobicContact CD2-CD1 3.95Å; L115-L166 HydrophobicContact CD2-CD2 3.99Å; L115-L166 HydrophobicContact CD2-CG 3.97Å; M162-L166 HydrophobicContact CG-CD1 4.38Å; M162-L166 WeakPolarHBondContact O-CG 3.4Å; M162-L166 PolarHBondContact O-N 3.47Å; R163-L166 PolarHBondContact O-N 2.68Å; L166-D170 WeakPolarHBondContact O-CB 3.46Å; L166-L181 HydrophobicContact CD2-CB 3.75Å; L166-L181 WeakPolarHBondContact CD2-O 2.96Å; L166-E183 HydrophobicContact CD1-CB 4.35Å
167D84.6Confident82.9Confident116 Ų11670.6 Ų70.662%0.6237%0.369SS*.Hα-helixtrans-79.4-29.5-177-174.4-106.4000113.7R163 R164 A165R163-D167 WeakPolarHBondContact O-CB 3.18Å; R163-D167 PolarHBondContact O-N 3.09Å; R164-D167 PolarHBondContact O-N 3.01Å; A165-D167 PolarHBondContact O-N 3.08Å
168K82.7Confident82.9Confident146 Ų14673.9 Ų73.964%0.63537%0.373SS*.Hα-helixtrans-125.5-19.4-169.6-60-169.8175.2-167.30116.1R164 A165R164-K168 WeakPolarHBondContact O-CB 3.36Å; R164-K168 PolarHBondContact O-N 3.02Å; R164-K168 VanDerWaalsContact O-N 3.1Å; A165-K168 PolarHBondContact O-N 2.98Å
169L81Confident83.1Confident5 Ų572.1 Ų72.13%0.02636%0.36CS..SBendtrans-118.86.4-173.1-54.1-178.1000111.9F132 M133 A136 A165 T172 I179 L181F132-L169 HydrophobicContact CD1-CD1 4.41Å; F132-L169 HydrophobicContact CE1-CB 3.85Å; F132-L169 HydrophobicContact CE1-CD1 4.27Å; F132-L169 HydrophobicContact CE1-CD2 3.79Å; F132-L169 HydrophobicContact CE1-CG 4.17Å; F132-L169 HydrophobicContact CE2-CD2 4.4Å; F132-L169 HydrophobicContact CZ-CB 4.47Å; F132-L169 HydrophobicContact CZ-CD2 3.69Å; M133-L169 HydrophobicContact CG-CD1 4.41Å; M133-L169 HydrophobicContact SD-CB 3.87Å; M133-L169 HydrophobicContact SD-CD1 3.39Å; M133-L169 WeakPolarHBondContact SD-CD1 3.35Å; M133-L169 HydrophobicContact SD-CG 4.28Å; A136-L169 HydrophobicContact CB-CD1 3.54Å; A136-L169 HydrophobicContact CB-CG 4.35Å; A165-L169 HydrophobicContact CB-CD1 4.38Å; A165-L169 WeakPolarHBondContact O-CA 3.34Å; A165-L169 VanDerWaalsContact O-CB 3.32Å; A165-L169 WeakPolarHBondContact O-CB 3.12Å; A165-L169 PolarHBondContact O-N 3.5Å; L169-T172 PolarHBondContact O-OG1 3.11Å; L169-T172 VanDerWaalsContact O-OG1 3.07Å; L169-I179 WeakPolarHBondContact O-CD1 3.42Å; L169-L181 VanDerWaalsContact C-CD1 3.46Å; L169-L181 HydrophobicContact CB-CD1 3.93Å; L169-L181 WeakPolarHBondContact O-CD1 3.34Å
170D85.2Confident83.1Confident78 Ų7872 Ų7242%0.41736%0.36SS..SBendtrans-79.2142.3163-17260.6000110.2L166 T172 R180 L181L166-D170 WeakPolarHBondContact O-CB 3.46Å; D170-T172 PolarHBondContact O-N 3.41Å; D170-T172 VanDerWaalsContact O-N 3.16Å; D170-R180 VanDerWaalsContact OD1-CA 3.23Å; D170-R180 WeakPolarHBondContact OD1-CA 3.29Å; D170-L181 HydrophobicContact CB-CB 4.36Å; D170-L181 PolarHBondContact OD1-N 2.82Å
171G81.2Confident83.1Confident27 Ų2769.4 Ų69.428%0.27834%0.341SS..SBendtrans71.81.8178.700000116.1K178 I179G171-K178 WeakPolarHBondContact O-CD 3.3Å; G171-K178 VanDerWaalsContact O-CG 3.31Å; G171-K178 WeakPolarHBondContact O-CG 3.41Å; G171-K178 PolarHBondContact O-NZ 3.49Å; G171-I179 VanDerWaalsContact CA-O 3.31Å; G171-I179 WeakPolarHBondContact CA-O 3.21Å; G171-I179 PolarHBondContact N-O 2.62Å
172T82.1Confident83Confident34 Ų3470.9 Ų70.921%0.20935%0.35CS..  trans-78.8139.2-179.254.20000113F132 L169 D170 I174 K178 I179F132-T172 VanDerWaalsContact CE1-OG1 3.3Å; F132-T172 WeakPolarHBondContact CE1-OG1 3.49Å; F132-T172 HydrophobicContact CZ-CG2 4.1Å; F132-T172 WeakPolarHBondContact CZ-OG1 3.26Å; L169-T172 PolarHBondContact O-OG1 3.11Å; L169-T172 VanDerWaalsContact O-OG1 3.07Å; D170-T172 PolarHBondContact O-N 3.41Å; D170-T172 VanDerWaalsContact O-N 3.16Å; T172-I174 PolarHBondContact O-N 3.07Å; T172-K178 WeakPolarHBondContact O-CA 3.38Å; T172-I179 PolarHBondContact O-N 3.36Å
173D82.5Confident83Confident100 Ų10074 Ų7454%0.53537%0.365SS..EExtended strand (participates in β ladder)trans-79.499.7-176.9-57.1-92.4000112.8R177 K178D173-R177 CarbonylContact C-O 3.55Å; D173-R177 WeakPolarHBondContact CA-O 3.44Å; D173-K178 WeakPolarHBondContact OD1-CG 3.27Å; D173-K178 IonicContact OD1-NZ 2.64Å; D173-K178 PolarHBondContact OD1-NZ 2.97Å; D173-K178 IonicContact OD2-NZ 2.71Å; D173-K178 PolarHBondContact OD2-NZ 3.24Å
174I78.1Confident82.4Confident17 Ų1767.9 Ų67.99%0.08734%0.344CS..EExtended strand (participates in β ladder)trans-99.7123.9170.3-47.2-177.2000108.8C124 F132 T172 G176 R177 I179C124-I174 VanDerWaalsContact SG-CG2 3.58Å; F132-I174 HydrophobicContact CB-CD1 4.33Å; F132-I174 HydrophobicContact CD1-CD1 3.38Å; F132-I174 HydrophobicContact CD1-CG1 4.17Å; F132-I174 HydrophobicContact CD2-CD1 4.41Å; F132-I174 HydrophobicContact CE1-CD1 3.67Å; F132-I174 HydrophobicContact CE1-CG1 4.08Å; F132-I174 HydrophobicContact CG-CD1 3.79Å; F132-I174 HydrophobicContact CG-CG1 4.4Å; F132-I174 HydrophobicContact CZ-CD1 4.32Å; F132-I174 HydrophobicContact CZ-CG1 4.26Å; T172-I174 PolarHBondContact O-N 3.07Å; I174-G176 PolarHBondContact O-N 3.04Å; I174-R177 PolarHBondContact N-O 2.76Å; I174-R177 PolarHBondContact O-N 3.38Å; I174-I179 HydrophobicContact CB-CG2 4.33Å; I174-I179 HydrophobicContact CD1-CD1 3.71Å; I174-I179 HydrophobicContact CD1-CG1 4.05Å; I174-I179 HydrophobicContact CD1-CG2 3.86Å; I174-I179 HydrophobicContact CG1-CD1 4.46Å; I174-I179 HydrophobicContact CG1-CG1 4.31Å; I174-I179 HydrophobicContact CG1-CG2 4.09Å
175N69.3Low81.1Confident92 Ų9269 Ų6949%0.49235%0.353SS..THydrogen-bonded Turntrans49.242.9178.7-69.8-44.6000113.5S121 C124S121-N175 PolarHBondContact OG-O 2.74Å; C124-N175 PolarHBondContact SG-ND2 3.48Å
176G77.9Confident79.4Confident72 Ų7271.4 Ų71.474%0.74237%0.369SS*.THydrogen-bonded Turntrans78.213.217800000115.6I174I174-G176 PolarHBondContact O-N 3.04Å
177R79.1Confident77.5Confident87 Ų8780.6 Ų80.633%0.32840%0.4SS..EExtended strand (participates in β ladder)trans-133.6135.7172.5-65.8-167-174.8163.8-6.3112.3L120 N150 D173 I174 I179L120-R177 PolarHBondContact O-NH1 2.87Å; N150-R177 PolarHBondContact OD1-NH1 2.78Å; D173-R177 CarbonylContact C-O 3.55Å; D173-R177 WeakPolarHBondContact CA-O 3.44Å; I174-R177 PolarHBondContact N-O 2.76Å; I174-R177 PolarHBondContact O-N 3.38Å; R177-I179 PolarHBondContact O-N 2.87Å
178K83.8Confident75.6Confident109 Ų10986.3 Ų86.347%0.47441%0.413SS..EExtended strand (participates in β ladder)trans-68.7112.3169.8-63.6-173.1173.3-64.80110.1N119 G171 T172 D173N119-K178 PolarHBondContact ND2-O 3.39Å; G171-K178 WeakPolarHBondContact O-CD 3.3Å; G171-K178 VanDerWaalsContact O-CG 3.31Å; G171-K178 WeakPolarHBondContact O-CG 3.41Å; G171-K178 PolarHBondContact O-NZ 3.49Å; T172-K178 WeakPolarHBondContact O-CA 3.38Å; D173-K178 WeakPolarHBondContact OD1-CG 3.27Å; D173-K178 IonicContact OD1-NZ 2.64Å; D173-K178 PolarHBondContact OD1-NZ 2.97Å; D173-K178 IonicContact OD2-NZ 2.71Å; D173-K178 PolarHBondContact OD2-NZ 3.24Å
179I87.3Confident73.8Confident2 Ų289.5 Ų89.51%0.0142%0.421CS..  trans-71.2154.6170.959.8156.7000110.6V117 L120 F132 L169 G171 T172 I174 R177 L181V117-I179 HydrophobicContact CG1-CB 3.76Å; V117-I179 HydrophobicContact CG1-CD1 3.88Å; V117-I179 HydrophobicContact CG1-CG1 4.44Å; V117-I179 HydrophobicContact CG1-CG2 3.94Å; L120-I179 HydrophobicContact CD2-CG2 3.64Å; L120-I179 HydrophobicContact CG-CG2 4.34Å; F132-I179 HydrophobicContact CE1-CD1 4.17Å; L169-I179 WeakPolarHBondContact O-CD1 3.42Å; G171-I179 VanDerWaalsContact CA-O 3.31Å; G171-I179 WeakPolarHBondContact CA-O 3.21Å; G171-I179 PolarHBondContact N-O 2.62Å; T172-I179 PolarHBondContact O-N 3.36Å; I174-I179 HydrophobicContact CB-CG2 4.33Å; I174-I179 HydrophobicContact CD1-CD1 3.71Å; I174-I179 HydrophobicContact CD1-CG1 4.05Å; I174-I179 HydrophobicContact CD1-CG2 3.86Å; I174-I179 HydrophobicContact CG1-CD1 4.46Å; I174-I179 HydrophobicContact CG1-CG1 4.31Å; I174-I179 HydrophobicContact CG1-CG2 4.09Å; R177-I179 PolarHBondContact O-N 2.87Å; I179-L181 HydrophobicContact CD1-CD2 4.02Å; I179-L181 HydrophobicContact CD1-CG 4.24Å
180R83.6Confident71.9Confident162 Ų162100.9 Ų100.961%0.61146%0.464SS*.EExtended strand (participates in β ladder)trans-117.8138.7165.8-78.8-179.8175.9177.6-1.5110.3V117 E118 D170V117-R180 CarbonylContact C-O 3.53Å; V117-R180 WeakPolarHBondContact CA-O 3.08Å; E118-R180 HydrophobicContact CB-CB 4.16Å; E118-R180 PolarHBondContact N-O 2.83Å; E118-R180 PolarHBondContact O-N 3.18Å; D170-R180 VanDerWaalsContact OD1-CA 3.23Å; D170-R180 WeakPolarHBondContact OD1-CA 3.29Å
181L86.6Confident69.7Low12 Ų12101.9 Ų101.96%0.06348%0.477CS..EExtended strand (participates in β ladder)trans-109.5113.3-179.6-66.5-179.2000110.4L115 V117 M133 A165 L166 L169 D170 I179L115-L181 HydrophobicContact CD1-CB 4.36Å; L115-L181 HydrophobicContact CD1-CD1 4.29Å; L115-L181 HydrophobicContact CD1-CD2 4.28Å; V117-L181 HydrophobicContact CB-CD2 4.29Å; V117-L181 HydrophobicContact CG1-CD2 4.01Å; V117-L181 HydrophobicContact CG2-CD2 3.74Å; M133-L181 HydrophobicContact CE-CD1 3.67Å; M133-L181 HydrophobicContact CE-CD2 3.53Å; M133-L181 HydrophobicContact CE-CG 4.28Å; M133-L181 HydrophobicContact SD-CD1 4.16Å; A165-L181 HydrophobicContact CB-CD1 4.3Å; A165-L181 VanDerWaalsContact O-CD1 3.29Å; A165-L181 WeakPolarHBondContact O-CD1 3.16Å; L166-L181 HydrophobicContact CD2-CB 3.75Å; L166-L181 WeakPolarHBondContact CD2-O 2.96Å; L169-L181 VanDerWaalsContact C-CD1 3.46Å; L169-L181 HydrophobicContact CB-CD1 3.93Å; L169-L181 WeakPolarHBondContact O-CD1 3.34Å; D170-L181 HydrophobicContact CB-CB 4.36Å; D170-L181 PolarHBondContact OD1-N 2.82Å; I179-L181 HydrophobicContact CD1-CD2 4.02Å; I179-L181 HydrophobicContact CD1-CG 4.24Å
182V85.6Confident67.8Low55 Ų55111 Ų11133%0.33350%0.504SS..EExtended strand (participates in β ladder)trans-109.2124.2179.1-179.50000109.1L115 I116 E118 E184L115-V182 CarbonylContact C-O 3.6Å; L115-V182 WeakPolarHBondContact CA-O 3.27Å; I116-V182 HydrophobicContact CB-CB 4.41Å; I116-V182 PolarHBondContact N-O 3.04Å; I116-V182 PolarHBondContact O-N 2.93Å; E118-V182 HydrophobicContact CG-CG2 4.24Å; V182-E184 PolarHBondContact O-N 3.49Å; V182-E184 VanDerWaalsContact O-N 3.16Å
183E84.7Confident65.9Low70 Ų70113.6 Ų113.633%0.32752%0.524SS..EExtended strand (participates in β ladder)trans-64.3112.9171-174.3-176.4-146.500109.3L115 M162 L166 K185L115-E183 HydrophobicContact CD2-CB 4.27Å; M162-E183 HydrophobicContact CE-CG 4.14Å; M162-E183 VanDerWaalsContact CE-OE1 3.26Å; M162-E183 WeakPolarHBondContact CE-OE1 3.44Å; M162-E183 HydrophobicContact SD-CG 4.42Å; L166-E183 HydrophobicContact CD1-CB 4.35Å; E183-K185 HydrophobicContact CG-CG 4.08Å; E183-K185 PolarHBondContact O-N 3.09Å; E183-K185 WeakPolarHBondContact OE2-CE 3.35Å; E183-K185 IonicContact OE2-NZ 3.89Å
184E75.3Confident63.8Low56 Ų56111.2 Ų111.226%0.26252%0.523SS..  trans-73.584.9169.1-170.9-179124.100108.3R114 I116 V182 S186R114-E184 HydrophobicContact CB-CB 4.18Å; R114-E184 WeakPolarHBondContact CD-OE2 3.49Å; R114-E184 HydrophobicContact CG-CB 4.09Å; R114-E184 IonicContact CZ-OE1 3.41Å; R114-E184 IonicContact CZ-OE2 3.06Å; R114-E184 IonicContact NE-OE1 3.36Å; R114-E184 IonicContact NE-OE2 3.78Å; R114-E184 PolarHBondContact NE-OE2 3.06Å; R114-E184 IonicContact NH1-OE1 3.12Å; R114-E184 PolarHBondContact NH1-OE1 3.1Å; R114-E184 IonicContact NH1-OE2 3.49Å; R114-E184 PolarHBondContact NH1-OE2 3.17Å; R114-E184 IonicContact NH2-OE2 2.88Å; R114-E184 PolarHBondContact NH2-OE2 2.91Å; R114-E184 WeakPolarHBondContact O-CB 3.49Å; R114-E184 PolarHBondContact O-N 2.95Å; I116-E184 HydrophobicContact CD1-CB 4.03Å; I116-E184 HydrophobicContact CD1-CG 4.16Å; I116-E184 HydrophobicContact CG1-CB 4.19Å; V182-E184 PolarHBondContact O-N 3.49Å; V182-E184 VanDerWaalsContact O-N 3.16Å; E184-S186 PolarHBondContact O-N 2.66Å
185K59.4Low62.1Low159 Ų159115.5 Ų115.569%0.69156%0.555SS**  trans-60.889.6166.8-70.6176.2-174.9171.10108.2E183 R187E183-K185 HydrophobicContact CG-CG 4.08Å; E183-K185 PolarHBondContact O-N 3.09Å; E183-K185 WeakPolarHBondContact OE2-CE 3.35Å; E183-K185 IonicContact OE2-NZ 3.89Å; K185-R187 PolarHBondContact O-N 2.82Å
186S50.3Low60.4Low49 Ų49120.8 Ų120.834%0.34357%0.568SS.*  trans-33.5109.5173.8174.40000108.7E184 R188E184-S186 PolarHBondContact O-N 2.66Å; S186-R188 WeakPolarHBondContact O-CA 3.08Å; S186-R188 PolarHBondContact O-N 3.36Å
187R48Very low58.6Low245 Ų245122.7 Ų122.793%0.92557%0.57SS**  trans-61.292.5-177.4-74.9-175.8178.4-179.70.7107.2K185 R189K185-R187 PolarHBondContact O-N 2.82Å; R187-R189 PolarHBondContact O-N 3.11Å
188R44.6Very low56.6Low235 Ų235128.7 Ų128.789%0.88759%0.592SS**  trans-24.8102.9-160.7-73.2179.2176167.8-1.9110S186 R190S186-R188 WeakPolarHBondContact O-CA 3.08Å; S186-R188 PolarHBondContact O-N 3.36Å; R188-R190 VanDerWaalsContact C-N 3.35Å; R188-R190 WeakPolarHBondContact O-CA 3.24Å; R188-R190 PolarHBondContact O-N 3.42Å
189R45.2Very low54.2Low214 Ų214128 Ų12881%0.80860%0.601SS**  trans-48104.7-179.6-91.3-170.7169.2-126.9-5.1106.8R187 S191R187-R189 PolarHBondContact O-N 3.11Å; R189-S191 VanDerWaalsContact C-N 3.3Å; R189-S191 WeakPolarHBondContact O-CA 3.47Å; R189-S191 PolarHBondContact O-N 3.36Å
190R39.4Very low51.7Low244 Ų244139.3 Ų139.392%0.92164%0.643SS**  trans-64.998-161.8-169.6174.3-169.9158.82.7106.5R188 Y192R188-R190 VanDerWaalsContact C-N 3.35Å; R188-R190 WeakPolarHBondContact O-CA 3.24Å; R188-R190 PolarHBondContact O-N 3.42Å; R190-Y192 PolarHBondContact O-N 3.1Å
191S40.3Very low49.4Very low98 Ų98136.2 Ų136.269%0.68565%0.647SS**  trans-61.4115.3-163.734.70000106.6R189 S193R189-S191 VanDerWaalsContact C-N 3.3Å; R189-S191 WeakPolarHBondContact O-CA 3.47Å; R189-S191 PolarHBondContact O-N 3.36Å; S191-S193 PolarHBondContact O-N 2.82Å; S191-S193 PolarHBondContact O-OG 3.18Å
192Y39.8Very low47Very low218 Ų218146.6 Ų146.686%0.85569%0.685SS**  trans-77.562.4-179.8-175.3-104.4000108.5R190 G194R190-Y192 PolarHBondContact O-N 3.1Å; Y192-G194 PolarHBondContact O-N 3.38Å
193S43.2Very low44.6Very low90 Ų90154.8 Ų154.863%0.62971%0.71SS**  trans-71.360.4163.945.30000108.7S191 S195S191-S193 PolarHBondContact O-N 2.82Å; S191-S193 PolarHBondContact O-OG 3.18Å; S193-S195 PolarHBondContact O-N 2.83Å
194G37.9Very low42.2Very low49 Ų49161.3 Ų161.351%0.50573%0.732SS.*  trans-69.242.5173.700000112.6Y192 R196Y192-G194 PolarHBondContact O-N 3.38Å; G194-R196 PolarHBondContact O-N 2.9Å
195S41.9Very low40.2Very low108 Ų108163.1 Ų163.176%0.75575%0.751SS**  trans-72.964.8-176.7-58.50000111S193S193-S195 PolarHBondContact O-N 2.83Å
196R34.5Very low39.1Very low203 Ų203166.5 Ų166.577%0.76676%0.759SS**  trans-112.568.1176.7-152.8167.4-156.81657.8111.7G194 R198G194-R196 PolarHBondContact O-N 2.9Å; R196-R198 PolarHBondContact O-N 3.04Å; R196-R198 VanDerWaalsContact O-N 3.16Å
197S41.1Very low38.3Very low112 Ų112169.5 Ų169.578%0.78378%0.78SS**  trans-55.8112.5166.3340000111
198R35.3Very low37.7Very low212 Ų212169.4 Ų169.480%0.878%0.779SS**  trans-129.3132.4159.5-79.4-172.6166.8163.3-5.5109R196R196-R198 PolarHBondContact O-N 3.04Å; R196-R198 VanDerWaalsContact O-N 3.16Å
199S34.3Very low37.2Very low94 Ų94163.6 Ų163.666%0.65778%0.775SS**  trans-104.6166.5-162.9-40.60000112.2
200R35.3Very low36.8Very low240 Ų240164.9 Ų164.991%0.90678%0.78SS**  trans73.5143.8163.4-58.8156.6-176.6158.8-0.5113.9
201S34.1Very low36.6Very low97 Ų97165.3 Ų165.368%0.67878%0.781SS**  cis-167.1150-8.947.50000113.4
202R36.7Very low36.2Very low231 Ų231166.6 Ų166.687%0.87279%0.79SS**  trans50.1148.4139.5-65.1173.3168170.6-5.2120.9
203R35Very low35.9Very low227 Ų227161.4 Ų161.486%0.85779%0.786SS**  trans78.7156163.8-62.4-175.9-177.6-165.32.3116.1
204R34.7Very low35.4Very low207 Ų207169.1 Ų169.178%0.78180%0.801SS**  cis-171156.7-31-165177.5-173.7163.4-0.2107.1
205S34.1Very low35.2Very low94 Ų94172.1 Ų172.166%0.65781%0.814SS**  trans78.4116.5159.3-47.20000120.6
206R35.7Very low34.8Very low230 Ų230179.2 Ų179.287%0.86883%0.825SS**  53.8139.8119.9-71.6-175.8155.292.4-0.3123.3
207S32.8Very low34.6Very low111 Ų111175.1 Ų175.178%0.77683%0.827SS**  trans61116.6146.151.50000120.2
208R35.7Very low34.2Very low243 Ų243177.3 Ų177.392%0.91783%0.83SS**  trans-121.694.8155.3-78.7-179.3170.8154.6-2.4109.8
209S33.8Very low34Very low114 Ų114171.4 Ų171.480%0.79782%0.822SS**  trans-70.1136.6161.347.10000109.6
210R37Very low34Very low240 Ų240178.6 Ų178.691%0.90683%0.834SS**  trans-123.4101.5166.6-79.5-175.4168.1178.7-4.9109.1
211R34.8Very low33.7Very low253 Ų253172.8 Ų172.896%0.95583%0.83SS**  trans-78.3132.1157.7-75.6-174.4172-155.1-0.9107.8
212S32.7Very low33.6Very low125 Ų125176.1 Ų176.187%0.87484%0.835SS**  trans-150.4140.5152.6-169.30000107.1
213S33.9Very low33.3Very low110 Ų110169.3 Ų169.377%0.76982%0.823SS**  trans-110141.6-163.444.80000112.6
214R33.3Very low33.2Very low252 Ų252169.1 Ų169.195%0.95182%0.822SS**  trans-153.1138143-120.2171.8176.8113.5-1.2110
215S33.2Very low33Very low111 Ų111164.7 Ų164.778%0.77682%0.823SS**  trans-97.1148-172.842.80000111.8
216R32.9Very low32.8Very low257 Ų257169 Ų16997%0.9783%0.832SS**  trans-160.5137.9146.6-107.4156-172167.91.7108.9
217S30.7Very low32.5Very low118 Ų118161.4 Ų161.483%0.82581%0.814SS**  trans-99.4147.5-174.340.70000111.1
218N31.6Very low32.5Very low157 Ų157167.3 Ų167.384%0.8482%0.82SS**  -160.2163.8112-150.7-14.7000110.7
219S31.6Very low32.3Very low89 Ų89160.6 Ų160.662%0.62281%0.81SS**  trans-78.6151.1176.3650000113.1
220R33.6Very low32.3Very low245 Ų245163.9 Ų163.993%0.92581%0.81SS**  -171.6152.6114.6-101.2165.1-179.2169.80.3111.1
221S30.9Very low32Very low117 Ų117162.2 Ų162.282%0.81880%0.803SS**  trans-105.3142-175.943.60000111.4
222H30.1Very low31.9Very low168 Ų168159.9 Ų159.978%0.77880%0.795SS**  trans-138.6126.8144.6-154.475.1000109.7
223S31.9Very low31.7Very low88 Ų88163.1 Ų163.162%0.61580%0.796SS**  trans-99.9148172.553.40000109.2
224R33.2Very low31.6Very low222 Ų222162.3 Ų162.384%0.83879%0.79SS**  -175.8124124.9-98147.2-178.3155.9-3.2111.1
225S29.5Very low31.6Very low114 Ų114159.7 Ų159.780%0.79779%0.785SS**  trans-89.5144.1164.544.30000109.5
226H29.8Very low31.6Very low185 Ų185159.9 Ų159.986%0.85679%0.786SS**  trans-145.6169.4138.2-141.364.2000112.2
227S30.3Very low31.6Very low71 Ų71151.5 Ų151.550%0.49778%0.78SS.*  trans-147.3152-155.970.70000113
228R32.3Very low31.8Very low235 Ų235157.2 Ų157.289%0.88778%0.784SS**  trans53.4125.4149.6-59.6164.1173.2179.1-1.8115.8
229S31.8Very low31.6Very low101 Ų101158.3 Ų158.371%0.70678%0.781SS**  173.3143.166.666.60000110.8
230K32.7Very low31.9Very low184 Ų184159 Ų15980%0.879%0.786SS**  84.7125.1102.9-82.5-179.4179.9174.20117.9
231R31.9Very low31.7Very low204 Ų204157.7 Ų157.777%0.7778%0.781SS**  trans70.3159152.7-63.9177.4172.1-173.2-1.4116.6
232R31.3Very low31.7Very low205 Ų205156.8 Ų156.877%0.77478%0.775SS**  cis-170.9130.2-28.1-107.1178.8177.9-173.5-1.3107.8
233H30Very low31.7Very low193 Ų193160 Ų16089%0.89478%0.78SS**  trans-154.8176143.4-124.339.9000113.2
234S30.4Very low31.7Very low92 Ų92160.7 Ų160.764%0.64379%0.785SS**  trans-154.1177.9-156.760.10000113.8
235K34.6Very low31.7Very low198 Ų198162.1 Ų162.186%0.86179%0.79SS**  trans77.7150.3-176.6-57.2177.4178.4176.30114.6
236S32.7Very low31.8Very low114 Ų114162.2 Ų162.280%0.79779%0.786SS**  cis-169.4136.2-25.950.90000110.4
237G32.1Very low32Very low81 Ų81164.2 Ų164.284%0.83579%0.786SS**  trans-161.5119.2177.800000114.2
238R35.8Very low31.9Very low239 Ų239169.6 Ų169.690%0.90280%0.801SS**  trans-55.3132.6-175.4-62.1169.9-177.2-142.4-1.4112.1
239K28.1Very low31.8Very low180 Ų180162.4 Ų162.478%0.78379%0.786SS**  58.910772.8-176.2-173.4-179.5-1750110.7
240S36.4Very low31.6Very low104 Ų104168.8 Ų168.873%0.72780%0.795SS**  -147.2154.168.5560000113.1
241R30Very low31.5Very low216 Ų216164 Ų16482%0.81578%0.784SS**  38.6137.879.9-63.1177.5178.8166.9-2.3113.6
242S32.1Very low31.3Very low99 Ų99165.8 Ų165.869%0.69279%0.791SS**  cis-166.3-172.6-10.556.60000107.5
243R29.6Very low31.4Very low235 Ų235160.9 Ų160.989%0.88779%0.789SS**  cis-160.9177.214.6-146.2164-175.9161.6-1.5109
244S32Very low31.6Very low103 Ų103159.8 Ų159.872%0.7279%0.789SS**  trans-83.9154.5177.352.50000114.4
245R32.8Very low31.8Very low252 Ų252164.6 Ų164.695%0.95180%0.799SS**  trans-164.6173.6150-107.6156-168.4-176.81.6111.8
246T31.9Very low31.7Very low116 Ų116160.8 Ų160.871%0.71280%0.797SS**  trans-138.6172.5-155.464.80000114.1
247R32.6Very low31.7Very low227 Ų227164.2 Ų164.286%0.85780%0.797SS**  trans82.4107.4152.8-73.6171.2179-164.90.2120.3
248K30.2Very low31.7Very low184 Ų184165.9 Ų165.980%0.880%0.796SS**  98.899.7103-166.8174.5179.1-177.70119.7
249S28.8Very low31.5Very low84 Ų84165.1 Ų165.159%0.58779%0.793SS**  93.7156.9126.278.90000122
250R28.9Very low31.8Very low234 Ų234162 Ų16288%0.88380%0.795SS**  trans76.9151.4168.2-59.4167.9179.1146.3-5.8116.2
251S29Very low31.7Very low83 Ų83167 Ų16758%0.5880%0.803SS**  cis-177.6147.9-36.454.10000109.4
252R28.8Very low31.8Very low242 Ų242162.7 Ų162.791%0.91381%0.806SS**  trans67.7163.8173.7-46.7164.7177.3162.2-3.2112
253S33.3Very low31.6Very low103 Ų103164.4 Ų164.472%0.7282%0.816SS**  cis-146.11521.747.80000110.5
254N34Very low31.8Very low170 Ų170158.5 Ų158.591%0.90981%0.812SS**  trans-63.4133.9158.6-73.9-14.8000109.5
255K33.5Very low31.8Very low193 Ų193162.4 Ų162.484%0.83982%0.815SS**  trans-143117.5158.5-167.3158-173.5169.50110.2
256S33.2Very low31.7Very low118 Ų118156.4 Ų156.483%0.82581%0.806SS**  trans-60.7147.3173.141.70000111
257K32.8Very low31.7Very low185 Ų185158.9 Ų158.980%0.80481%0.808SS**  trans-144.892.4173.2-149.9165.7-169173.20110.5
258S32.2Very low31.9Very low116 Ų116152.2 Ų152.281%0.81180%0.796SS**  trans-60.4132.9171.839.20000110.8
259R31.7Very low32Very low223 Ų223149.5 Ų149.584%0.84279%0.786SS**  trans-144.785.9166.7-86.5-168.1164.1168.4-5.7110.2
260S33.8Very low32.3Very low116 Ų116154.5 Ų154.581%0.81179%0.792SS**  trans-68.3133156.937.90000109.5
261K34.3Very low32.4Very low207 Ų207149.9 Ų149.990%0.979%0.785SS**  trans-148.2118.9162-85.1-153.8170.9-164.60109.3
262S31.6Very low32.6Very low127 Ų127149.1 Ų149.189%0.88878%0.779SS**  trans-95.3144.4175.4-47.50000110.8
263C29.1Very low32.7Very low134 Ų134148.5 Ų148.591%0.90578%0.777SS**  trans-156.5148.5166.6-152.70000106.1
264S33.7Very low32.8Very low112 Ų112148.4 Ų148.478%0.78378%0.777SS**  cis-134.5-178.312.157.60000111.8
265K30.9Very low32.7Very low184 Ų184151.4 Ų151.480%0.878%0.775SS**  trans-149.1122.1-175.4-162.7-165.4-178.5-1780112.7
266V31.8Very low32.8Very low126 Ų126146.9 Ų146.976%0.76477%0.768SS**  trans55.8170.3164.6-62.40000117.1
267K32.7Very low32.9Very low169 Ų169150 Ų15074%0.73577%0.767SS**  cis-146.3-177.312.9-134.3179.5-177.7-1610107.5
268S35.6Very low32.9Very low87 Ų87146.3 Ų146.361%0.60875%0.752SS**  cis-172.3147.316.821.40000112.8
269E32.3Very low33.1Very low127 Ų127149.1 Ų149.159%0.59375%0.75SS**  trans69.8155139-65.9174.4-158.100119.4
270R35.9Very low33.4Very low188 Ų188143.7 Ų143.771%0.70975%0.746SS**  cis-160.1156.80.9-133.9-178.6-116.9-122.4-1.5113.6
271D30.4Very low33.6Very low138 Ų138142 Ų14274%0.73874%0.739SS**  trans54.1155.6144.8-94.5-63.8000122.2
272S34.2Very low33.6Very low67 Ų67138.3 Ų138.347%0.46973%0.729SS.*  cis-162.2171.53.558.50000113
273R30.3Very low34Very low228 Ų228140.8 Ų140.886%0.8672%0.724SS**  trans70.6157.4157.6-62155.5-175.7158.70.3119.4
274S35.6Very low34.2Very low102 Ų102143 Ų14371%0.71372%0.718SS**  cis-174.3153.8-38.857.30000113.5
275R31.6Very low34.4Very low232 Ų232141.5 Ų141.588%0.87571%0.708SS**  trans78.7103.7148.2-91.5-178.2176.2167-1.2123.9
276S35.1Very low34.5Very low99 Ų99143.5 Ų143.569%0.69271%0.71SS**  78.1133.4111.169.30000126.2
277K34.9Very low34.7Very low183 Ų183141.8 Ų141.880%0.79670%0.704SS**  trans73159.1148.4-73.6-160.4170.1-150.20121
278E33.3Very low34.8Very low108 Ų108144.7 Ų144.751%0.50571%0.71SS.*  cis-175.3134.1-31.8-173.2-177.7165.800111.1
279K35.8Very low34.8Very low174 Ų174146.1 Ų146.176%0.75772%0.72SS**  trans62.4165.4163.6-80.2166.8-175.8149.20117.7
280S37.7Very low34.8Very low109 Ų109144.9 Ų144.976%0.76273%0.732SS**  cis-173.6-174-27.662.50000108.6
281A38.5Very low35.1Very low80 Ų80141.4 Ų141.466%0.66174%0.736SS**  cis-162.4168.34.700000111.2
282N35Very low36Very low131 Ų131140.2 Ų140.270%0.70174%0.736SS**  trans71.7153.2152.5-122.4-8.4000116.5
283K39.2Very low36Very low179 Ų179143 Ų14378%0.77875%0.75SS**  cis-128.8137.26.6-79174.3-175.4172.50109.4
284K33.8Very low36.3Very low180 Ų180140.7 Ų140.778%0.78375%0.746SS**  52.1137.391.6-85.1-170.4172.6179.30115.4
285S36.9Very low36.2Very low81 Ų81143.2 Ų143.257%0.56675%0.751SS**  cis177.4154.7-11.747.20000113.4
286R33.9Very low36.2Very low226 Ų226135.1 Ų135.185%0.85374%0.741SS**  trans67.6162.3146.4-76165.9-179.1177.7-2.7118.7
287S36Very low36.2Very low90 Ų90138.7 Ų138.763%0.62974%0.744SS**  cis-177.3148.1-3756.70000112
288R33.8Very low36.3Very low229 Ų229136.6 Ų136.686%0.86474%0.737SS**  trans67.5114.3153.3-70.2171.8176.5177.9-3.1120.1
289S37.5Very low36.5Very low118 Ų118138.3 Ų138.383%0.82575%0.745SS**  49.3113.7119.5-43.70000121.8
290A32Very low36.8Very low100 Ų100140 Ų14083%0.82675%0.746SS**  trans-171.8153.5131.300000112.1
291S40.7Very low36.8Very low115 Ų115139.3 Ų139.380%0.80474%0.741SS**  trans-103.6153.4153.4-470000107.1
292P49.8Very low36.8Very low113 Ų113140.4 Ų140.473%0.73474%0.744SS**  -160.2160.978.742.9-22.5000119
293V35Very low36.9Very low125 Ų125145 Ų14576%0.75875%0.752SS**  trans64.9130.6132171.60000123.7
294K36.3Very low37.1Very low181 Ų181141.9 Ų141.979%0.78775%0.752SS**  trans91.2131.1149.3-93.4168.1-175.8178.50123.2
295N32.7Very low38Very low154 Ų154138.9 Ų138.982%0.82475%0.751SS**  trans58.6139.7150.9-63.86.2000120.2
296G31.7Very low38.3Very low63 Ų63140.2 Ų140.265%0.64976%0.76SS**  cis168.8-177.6-4.900000113.1
297K36.3Very low39.3Very low174 Ų174135.2 Ų135.276%0.75776%0.757SS**  trans68146.4179.6-68.2177.8158.9-80.20115.7
298E37.3Very low39.3Very low139 Ų139135.8 Ų135.865%0.6577%0.767SS**  cis-161.5146.6-13.8-121.6157.5179.300111.4
299E37.7Very low39.8Very low143 Ų143129.4 Ų129.467%0.66876%0.764SS**  trans57.3154.2155.1-55.4-112.787.300117.9
300R41.1Very low39.7Very low211 Ų211130.7 Ų130.780%0.79676%0.761SS**  cis-152.7163.7-12.7-112.6174.8-153-136.22.3104.9
301S37.8Very low40.3Very low93 Ų93136.4 Ų136.465%0.6576%0.762SS**  cis-155.5133.419.8166.30000106.2
302S38.5Very low40.3Very low103 Ų103142.8 Ų142.872%0.7277%0.768SS**  57.6136.383117.30000114.8
303R37.9Very low40Very low229 Ų229142.7 Ų142.786%0.86477%0.77SS**  cis-161.6149.13.6-162.6174-179.6179.9-0.5113.5
304S42.8Very low40.4Very low112 Ų112146.4 Ų146.478%0.78378%0.776SS**  trans-148.7147.1154.6-79.20000105.5
305P51.9Low41Very low118 Ų118143.2 Ų143.277%0.76678%0.776SS**  -147.9-175.859.241.2-21.2000116.1
306S43.7Very low42.2Very low108 Ų108141.6 Ų141.676%0.75577%0.774SS**  trans-70.3166157.4-35.20000110.8
307P53.8Low42.7Very low121 Ų121145.7 Ų145.779%0.78678%0.781SS**  -155.1-178.572.442.8-22.9000117.4
308A37.5Very low43.2Very low102 Ų102147.5 Ų147.584%0.84379%0.789SS**  trans72.2147.7148.300000121.4
309A42.8Very low43.3Very low96 Ų96151.8 Ų151.879%0.79380%0.799SS**  trans-80.3161.1-17100000115.3
310D36.8Very low43.5Very low144 Ų144149.9 Ų149.977%0.7780%0.802SS**  -154-175117-143.9-74.4000110.8
311R43.6Very low44Very low221 Ų221147 Ų14783%0.83481%0.807SS**  trans-85.7147-168.9-50.5148.4-174.8-146.3-0.7111.8
312R40.3Very low44.2Very low248 Ų248147.2 Ų147.294%0.93681%0.809SS**  trans-159.3140.7132.5-118.9168.1-173.5-117.7-0.9114.1
313S44.1Very low44.3Very low111 Ų111151 Ų15178%0.77682%0.815SS**  trans-79.3149.9171.343.10000111.6
314K44.4Very low44.7Very low204 Ų204145.2 Ų145.289%0.88781%0.81SS**  trans-158.6108.1157.5-118.8177.2-178.5-176.10111.5
315S48.7Very low44.9Very low114 Ų114149.4 Ų149.480%0.79781%0.814SS**  trans-76.4161.7157.3-47.30000109.7
316P56.6Low44.8Very low119 Ų119149.6 Ų149.677%0.77382%0.818SS**  trans-116151.2148.135.3-27.9000111.9
317D43.4Very low44.8Very low150 Ų150155.9 Ų155.980%0.80283%0.825SS**  trans-58.7151.7-173.8-60.1-121.6000115.5
318K45.5Very low44.6Very low212 Ų212155.8 Ų155.892%0.92283%0.827SS**  trans-113.1113.3146.3-75.7-161174.1-171.10109
319R40.7Very low45.2Very low228 Ų228162.7 Ų162.786%0.8683%0.831SS**  trans-86.5147.4-175.1-141.3176.9-171.7-1342.8111.6
320S41.9Very low45.5Very low104 Ų104163.4 Ų163.473%0.72783%0.83SS**  trans-48.8143.1178.253.60000116.4
321V50.5Low46.3Very low149 Ų149161.4 Ų161.490%0.90383%0.834SS**  trans-128.6147.5144-1780000107.4
322S43Very low46.8Very low98 Ų98156.2 Ų156.269%0.68583%0.832SS**  trans-120.9-173.4-172.265.50000112.4
323H40.7Very low47.3Very low183 Ų183155.4 Ų155.485%0.84783%0.829SS**  trans73147.7-170.7-8569.8000115.3
324S45.7Very low47.9Very low108 Ų108161.1 Ų161.176%0.75585%0.85SS**  cis-139.5176.84.159.40000112.9
325K47.8Very low48.1Very low200 Ų200159 Ų15987%0.8785%0.849SS**  trans-89.3149.5-176.9-64.2168.2177.6167.40112.8
326S48.6Very low48Very low122 Ų122161.3 Ų161.385%0.85385%0.851SS**  trans-147.4157.514261.20000110.8
327R45.1Very low47.6Very low239 Ų239163.7 Ų163.790%0.90286%0.856SS**  trans-136.2125.7-175.2-63.1162.680.8-168.411.8110.5
328S49.2Very low47.8Very low119 Ų119164.5 Ų164.583%0.83286%0.859SS**  trans-168.9119.4146.5370000108.1
329R49.8Very low48Very low247 Ų247161.5 Ų161.593%0.93286%0.855SS**  76.1109.167.9-100.6-171.1166.9-176.8-5114
330S48.7Very low48.4Very low111 Ų111157.1 Ų157.178%0.77685%0.854SS**  trans-39.7146161.350.90000116.2
331A53.9Low48.9Very low103 Ų103160.9 Ų160.985%0.85186%0.863SS**  trans-132.8156.9149.100000108.4
332S53.7Low48.8Very low111 Ų111161.8 Ų161.878%0.77686%0.86SS**  trans-120.5174.3-175.6-50.30000110.8
333R52Low49.3Very low232 Ų232167.1 Ų167.188%0.87588%0.875SS**  trans80.4154-177.1-60.5-179.4171.8172.4-5.3114.1
334D56Low50.1Low230 Ų230165.6 Ų165.6100%1.2388%0.878SS**  cis-89.10-0.5-100.5-145.7000113.4

Retrieved 334 of 334 residues in 488.5 ms (Link to these results)

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