A0A096M7I6_POEFO Loading...

CCHC-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A096M7I6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 691 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
1M41.9Very low56Low238 Ų238115.2 Ų115.2100%1.17265%0.652SS**  097.60-65.9165.7173.100109
2I42.6Very low57.1Low159 Ų159122.4 Ų122.482%0.81566%0.661SS**  trans-144.468.7173.8-46.7179.7000109.5
3T47.7Very low58.1Low130 Ų130115.6 Ų115.680%0.79862%0.622SS**  trans-136.610.6-177.9-22.60000113.4
4A45Very low59.1Low76 Ų76112.9 Ų112.963%0.62861%0.606SS**SBendtrans-88.5-28.6-176.100000117.6V6 S7A4-V6 PolarHBondContact O-N 3.11Å; A4-S7 PolarHBondContact O-OG 3.27Å
5P54.3Low59.9Low78 Ų78111.6 Ų111.651%0.50661%0.609SS.*Hα-helixtrans-78.5-19.7-167.929.4-34.7000114.6C9P5-C9 PolarHBondContact O-N 3.3Å; P5-C9 PolarHBondContact O-SG 2.85Å
6V57.2Low60.9Low102 Ų102105.8 Ų105.862%0.61858%0.581SS**Hα-helixtrans-79.4-36.7-170.8-174.20000112.5A4 R10A4-V6 PolarHBondContact O-N 3.11Å; V6-R10 WeakPolarHBondContact O-CB 3.32Å; V6-R10 PolarHBondContact O-N 3.49Å; V6-R10 VanDerWaalsContact O-N 3.08Å
7S59.4Low62.1Low70 Ų70104.8 Ų104.849%0.4958%0.581SS.*Hα-helixtrans-64.9-52.8178.345.60000111.7A4 C9 R10 E11A4-S7 PolarHBondContact O-OG 3.27Å; S7-C9 VanDerWaalsContact C-N 3.3Å; S7-C9 PolarHBondContact O-N 2.91Å; S7-R10 WeakPolarHBondContact O-CB 3.34Å; S7-R10 PolarHBondContact O-N 2.91Å; S7-E11 PolarHBondContact O-N 3.06Å
8A63.6Low62.6Low54 Ų54104.2 Ų104.245%0.44658%0.582SS.*Hα-helixtrans-57.7-40.6178.500000112.4E11 R12A8-E11 PolarHBondContact O-N 2.65Å; A8-R12 WeakPolarHBondContact O-CB 2.91Å; A8-R12 VanDerWaalsContact O-CG 3.3Å; A8-R12 WeakPolarHBondContact O-CG 3.45Å; A8-R12 PolarHBondContact O-N 3.41Å; A8-R12 VanDerWaalsContact O-N 3.1Å
9C64.5Low62.9Low72 Ų72106 Ų10649%0.48659%0.59SS.*Hα-helixtrans-65.9-35.9175.1-690000112.8P5 S7 F13P5-C9 PolarHBondContact O-N 3.3Å; P5-C9 PolarHBondContact O-SG 2.85Å; S7-C9 VanDerWaalsContact C-N 3.3Å; S7-C9 PolarHBondContact O-N 2.91Å; C9-F13 WeakPolarHBondContact O-CB 3.32Å; C9-F13 PolarHBondContact O-N 3.4Å
10R70.8Confident63.4Low152 Ų152106.2 Ų106.257%0.57458%0.584SS**Hα-helixtrans-66.8-43.1177-178.9176.9176.5-108.51.1111.9V6 S7 F13 L14V6-R10 WeakPolarHBondContact O-CB 3.32Å; V6-R10 PolarHBondContact O-N 3.49Å; V6-R10 VanDerWaalsContact O-N 3.08Å; S7-R10 WeakPolarHBondContact O-CB 3.34Å; S7-R10 PolarHBondContact O-N 2.91Å; R10-F13 PolarHBondContact O-N 2.82Å; R10-L14 HydrophobicContact CG-CD1 4.38Å; R10-L14 WeakPolarHBondContact O-CG 3.19Å; R10-L14 PolarHBondContact O-N 2.81Å
11E68.4Low63.8Low136 Ų136105.6 Ų105.664%0.63657%0.574SS**Hα-helixtrans-65.9-47.1178.1-70.1175.9173.600111.7S7 A8 F13 L14 S15S7-E11 PolarHBondContact O-N 3.06Å; A8-E11 PolarHBondContact O-N 2.65Å; E11-F13 VanDerWaalsContact C-N 3.27Å; E11-F13 PolarHBondContact O-N 3.08Å; E11-L14 PolarHBondContact O-N 3.02Å; E11-L14 VanDerWaalsContact O-N 3.1Å; E11-S15 PolarHBondContact O-N 2.97Å
12R70Confident65Low202 Ų202101.3 Ų101.376%0.76255%0.551SS**Hα-helixtrans-55.4-41.9172.1-70.1-67.4-147.1-122.93.2111.6A8 S15 A16A8-R12 WeakPolarHBondContact O-CB 2.91Å; A8-R12 VanDerWaalsContact O-CG 3.3Å; A8-R12 WeakPolarHBondContact O-CG 3.45Å; A8-R12 PolarHBondContact O-N 3.41Å; A8-R12 VanDerWaalsContact O-N 3.1Å; R12-S15 PolarHBondContact O-N 2.59Å; R12-S15 PolarHBondContact O-OG 2.79Å; R12-A16 PolarHBondContact O-N 3.09Å
13F70Confident66.6Low34 Ų3496.6 Ų96.615%0.14953%0.529CS..Hα-helixtrans-67.6-36.2176.2179.1-116.6000113.7C9 R10 E11 S15 A16 R21 V26 F30C9-F13 WeakPolarHBondContact O-CB 3.32Å; C9-F13 PolarHBondContact O-N 3.4Å; R10-F13 PolarHBondContact O-N 2.82Å; E11-F13 VanDerWaalsContact C-N 3.27Å; E11-F13 PolarHBondContact O-N 3.08Å; F13-S15 VanDerWaalsContact C-N 3.32Å; F13-S15 PolarHBondContact O-N 2.86Å; F13-A16 WeakPolarHBondContact O-CB 3.47Å; F13-A16 PolarHBondContact O-N 3.19Å; F13-R21 HydrophobicContact CD2-CG 4.22Å; F13-R21 HydrophobicContact CE1-CG 4.5Å; F13-R21 HydrophobicContact CE2-CB 4.05Å; F13-R21 HydrophobicContact CE2-CG 3.64Å; F13-R21 HydrophobicContact CZ-CB 3.89Å; F13-R21 HydrophobicContact CZ-CG 3.81Å; F13-R21 WeakPolarHBondContact O-CD 3.16Å; F13-V26 HydrophobicContact CD2-CG1 3.94Å; F13-V26 HydrophobicContact CE2-CB 4.47Å; F13-V26 HydrophobicContact CE2-CG1 3.36Å; F13-V26 HydrophobicContact CZ-CG1 4.1Å; F13-F30 HydrophobicContact CB-CE1 4.28Å; F13-F30 HydrophobicContact CB-CE2 3.83Å; F13-F30 HydrophobicContact CB-CZ 3.63Å; F13-F30 AromaticContact CD1-CD2 3.73Å; F13-F30 HydrophobicContact CD1-CD2 3.73Å; F13-F30 AromaticContact CD1-CE2 3.77Å; F13-F30 HydrophobicContact CD1-CE2 3.77Å; F13-F30 HydrophobicContact CD1-CG 4.12Å; F13-F30 HydrophobicContact CD1-CZ 4.18Å; F13-F30 HydrophobicContact CD2-CD2 4.08Å; F13-F30 AromaticContact CD2-CE2 3.56Å; F13-F30 HydrophobicContact CD2-CE2 3.56Å; F13-F30 HydrophobicContact CD2-CZ 4.25Å; F13-F30 AromaticContact CE1-CD2 3.78Å; F13-F30 HydrophobicContact CE1-CD2 3.78Å; F13-F30 HydrophobicContact CE1-CE2 4.2Å; F13-F30 HydrophobicContact CE1-CG 4.26Å; F13-F30 HydrophobicContact CE2-CD2 4.14Å; F13-F30 HydrophobicContact CE2-CE2 4.02Å; F13-F30 AromaticContact CG-CD2 3.88Å; F13-F30 HydrophobicContact CG-CD2 3.88Å; F13-F30 HydrophobicContact CG-CE1 4.47Å; F13-F30 AromaticContact CG-CE2 3.41Å; F13-F30 HydrophobicContact CG-CE2 3.41Å; F13-F30 VanDerWaalsContact CG-CE2 3.41Å; F13-F30 AromaticContact CG-CZ 3.76Å; F13-F30 HydrophobicContact CG-CZ 3.76Å; F13-F30 AromaticContact CZ-CD2 3.99Å; F13-F30 HydrophobicContact CZ-CD2 3.99Å; F13-F30 HydrophobicContact CZ-CE2 4.31Å
14L71.4Confident67.3Low78 Ų78101.4 Ų101.441%0.40853%0.533SS..Hα-helixtrans-65.6-35.8175.2-71.7172.6000111.9R10 E11 A16 R21R10-L14 HydrophobicContact CG-CD1 4.38Å; R10-L14 WeakPolarHBondContact O-CG 3.19Å; R10-L14 PolarHBondContact O-N 2.81Å; E11-L14 PolarHBondContact O-N 3.02Å; E11-L14 VanDerWaalsContact O-N 3.1Å; L14-A16 VanDerWaalsContact C-N 3.27Å; L14-A16 PolarHBondContact O-N 2.85Å; L14-R21 PolarHBondContact O-NH1 3.43Å
15S72.1Confident68.4Low93 Ų93106.7 Ų106.765%0.6554%0.542SS*.THydrogen-bonded Turntrans-72.5-9.9173.868.40000115.3E11 R12 F13E11-S15 PolarHBondContact O-N 2.97Å; R12-S15 PolarHBondContact O-N 2.59Å; R12-S15 PolarHBondContact O-OG 2.79Å; F13-S15 VanDerWaalsContact C-N 3.32Å; F13-S15 PolarHBondContact O-N 2.86Å
16A75.9Confident68.7Low19 Ų19104.4 Ų104.416%0.15753%0.526CS..SBendtrans-75.1148.5-178.700000112.3R12 F13 L14 F20 R21R12-A16 PolarHBondContact O-N 3.09Å; F13-A16 WeakPolarHBondContact O-CB 3.47Å; F13-A16 PolarHBondContact O-N 3.19Å; L14-A16 VanDerWaalsContact C-N 3.27Å; L14-A16 PolarHBondContact O-N 2.85Å; A16-F20 HydrophobicContact CB-CD1 3.82Å; A16-F20 HydrophobicContact CB-CE1 4.46Å; A16-R21 HydrophobicContact CB-CG 4.22Å; A16-R21 WeakPolarHBondContact O-CD 3.11Å
17P80.7Confident69Low89 Ų89102.4 Ų102.458%0.57852%0.516SS*.  trans-54.3144.2-178.9-28.635.7000113.6L19 F20 R21P17-L19 VanDerWaalsContact C-N 3.25Å; P17-L19 PolarHBondContact O-N 3.04Å; P17-L19 VanDerWaalsContact O-N 3.12Å; P17-F20 WeakPolarHBondContact O-CB 3.32Å; P17-F20 PolarHBondContact O-N 3.28Å; P17-R21 PolarHBondContact O-N 3.23Å
18P70.4Confident69.1Low94 Ų94102.3 Ų102.361%0.6152%0.515SS*.Hα-helixtrans-53.5-39.1-175.7-2935.5000114.1F20 R21 Q22P18-F20 VanDerWaalsContact C-N 3.33Å; P18-F20 PolarHBondContact O-N 2.91Å; P18-R21 PolarHBondContact O-N 3.44Å; P18-Q22 WeakPolarHBondContact O-CG 3.48Å; P18-Q22 PolarHBondContact O-N 3.41Å
19L70Confident69.2Low138 Ų138107.1 Ų107.172%0.72353%0.526SS*.Hα-helixtrans-62.3-37.2178.4-59.5177.6000112.6P17P17-L19 VanDerWaalsContact C-N 3.25Å; P17-L19 PolarHBondContact O-N 3.04Å; P17-L19 VanDerWaalsContact O-N 3.12Å
20F71.7Confident68.9Low109 Ų109106.3 Ų106.348%0.47852%0.515SS..Hα-helixtrans-67.6-44175.2-177.2-99.1000110.8A16 P17 P18 Q22 T23 V26A16-F20 HydrophobicContact CB-CD1 3.82Å; A16-F20 HydrophobicContact CB-CE1 4.46Å; P17-F20 WeakPolarHBondContact O-CB 3.32Å; P17-F20 PolarHBondContact O-N 3.28Å; P18-F20 VanDerWaalsContact C-N 3.33Å; P18-F20 PolarHBondContact O-N 2.91Å; F20-Q22 VanDerWaalsContact C-N 3.28Å; F20-Q22 PolarHBondContact O-N 2.99Å; F20-T23 PolarHBondContact O-N 3.42Å; F20-T23 PolarHBondContact O-OG1 2.77Å; F20-V26 HydrophobicContact CE1-CG1 4.02Å; F20-V26 HydrophobicContact CE1-CG2 4.16Å; F20-V26 HydrophobicContact CE2-CG2 4.34Å; F20-V26 HydrophobicContact CZ-CG2 3.95Å
21R72.3Confident68.1Low95 Ų95102.5 Ų102.536%0.35851%0.511SS..Hα-helixtrans-63.8-28.8178.9-63.9176.356.3179.9-11.4113.3F13 L14 A16 P17 P18F13-R21 HydrophobicContact CD2-CG 4.22Å; F13-R21 HydrophobicContact CE1-CG 4.5Å; F13-R21 HydrophobicContact CE2-CB 4.05Å; F13-R21 HydrophobicContact CE2-CG 3.64Å; F13-R21 HydrophobicContact CZ-CB 3.89Å; F13-R21 HydrophobicContact CZ-CG 3.81Å; F13-R21 WeakPolarHBondContact O-CD 3.16Å; L14-R21 PolarHBondContact O-NH1 3.43Å; A16-R21 HydrophobicContact CB-CG 4.22Å; A16-R21 WeakPolarHBondContact O-CD 3.11Å; P17-R21 PolarHBondContact O-N 3.23Å; P18-R21 PolarHBondContact O-N 3.44Å
22Q66.7Low67Low148 Ų148100.9 Ų100.969%0.69252%0.515SS*.THydrogen-bonded Turntrans-80.5-10176.8-74.3178.6-5.200114.5P18 F20 R24P18-Q22 WeakPolarHBondContact O-CG 3.48Å; P18-Q22 PolarHBondContact O-N 3.41Å; F20-Q22 VanDerWaalsContact C-N 3.28Å; F20-Q22 PolarHBondContact O-N 2.99Å; Q22-R24 PolarHBondContact O-N 3.43Å
23T75.4Confident65.9Low59 Ų5995 Ų9536%0.36251%0.505SS..  trans-65.7126178.464.40000111F20 K25 V26 C27F20-T23 PolarHBondContact O-N 3.42Å; F20-T23 PolarHBondContact O-OG1 2.77Å; T23-K25 PolarHBondContact O-N 2.87Å; T23-V26 PolarHBondContact O-N 3.31Å; T23-V26 VanDerWaalsContact OG1-CG2 3.26Å; T23-V26 WeakPolarHBondContact OG1-CG2 3.38Å; T23-C27 PolarHBondContact O-N 3.34Å
24R64.2Low64.6Low231 Ų231102 Ų10287%0.87253%0.53SS*.Hα-helixtrans-50.7-36.4-177.3-73.4-167.5-178.2-160.53113.2Q22 S28Q22-R24 PolarHBondContact O-N 3.43Å; R24-S28 WeakPolarHBondContact O-CB 3.34Å; R24-S28 PolarHBondContact O-N 3Å
25K66.9Low62.8Low188 Ų188104 Ų10482%0.81755%0.548SS*.Hα-helixtrans-63.9-44.5179.8-65.8-179.3-179.8176.60112.5T23 F29T23-K25 PolarHBondContact O-N 2.87Å; K25-F29 PolarHBondContact O-N 3.44Å
26V62.1Low61Low29 Ų29104.5 Ų104.518%0.17656%0.558CS.*Hα-helixtrans-79.9-37.2-178.7-1740000110.9F13 F20 T23 S28 F29 F30F13-V26 HydrophobicContact CD2-CG1 3.94Å; F13-V26 HydrophobicContact CE2-CB 4.47Å; F13-V26 HydrophobicContact CE2-CG1 3.36Å; F13-V26 HydrophobicContact CZ-CG1 4.1Å; F20-V26 HydrophobicContact CE1-CG1 4.02Å; F20-V26 HydrophobicContact CE1-CG2 4.16Å; F20-V26 HydrophobicContact CE2-CG2 4.34Å; F20-V26 HydrophobicContact CZ-CG2 3.95Å; T23-V26 PolarHBondContact O-N 3.31Å; T23-V26 VanDerWaalsContact OG1-CG2 3.26Å; T23-V26 WeakPolarHBondContact OG1-CG2 3.38Å; V26-S28 VanDerWaalsContact C-N 3.34Å; V26-S28 PolarHBondContact O-N 3.21Å; V26-F29 WeakPolarHBondContact O-CB 3.33Å; V26-F29 PolarHBondContact O-N 3.34Å; V26-F30 HydrophobicContact CG1-CD2 4.23Å; V26-F30 HydrophobicContact CG1-CE2 4.05Å; V26-F30 WeakPolarHBondContact O-CD2 3.39Å; V26-F30 PolarHBondContact O-N 3.33Å
27C61.5Low58.9Low61 Ų61108.4 Ų108.441%0.41258%0.583SS.*Hα-helixtrans-58-46.6173.3-168.90000111.3T23 F29 F30 S31T23-C27 PolarHBondContact O-N 3.34Å; C27-F29 VanDerWaalsContact C-N 3.26Å; C27-F29 PolarHBondContact O-N 2.59Å; C27-F30 PolarHBondContact O-N 3.29Å; C27-S31 PolarHBondContact O-N 3.35Å; C27-S31 PolarHBondContact O-OG 3.12Å
28S62.5Low56.6Low67 Ų67116 Ų11647%0.46960%0.6SS.*Hα-helixtrans-56.7-36176.3-169.50000113.6R24 V26 S31 S32R24-S28 WeakPolarHBondContact O-CB 3.34Å; R24-S28 PolarHBondContact O-N 3Å; V26-S28 VanDerWaalsContact C-N 3.34Å; V26-S28 PolarHBondContact O-N 3.21Å; S28-S31 PolarHBondContact O-N 3.04Å; S28-S32 PolarHBondContact O-N 3.01Å; S28-S32 VanDerWaalsContact O-N 3.1Å; S28-S32 PolarHBondContact O-OG 3.09Å
29F64.9Low54.7Low155 Ų155116.8 Ų116.868%0.6861%0.606SS**Hα-helixtrans-64.2-41.7-178.5-168.3-95.8000112K25 V26 C27K25-F29 PolarHBondContact O-N 3.44Å; V26-F29 WeakPolarHBondContact O-CB 3.33Å; V26-F29 PolarHBondContact O-N 3.34Å; C27-F29 VanDerWaalsContact C-N 3.26Å; C27-F29 PolarHBondContact O-N 2.59Å
30F58.3Low53.1Low56 Ų56116.9 Ų116.925%0.24661%0.613CS.*Hα-helixtrans-87.1-16.6177.8-68-77.9000113.9F13 V26 C27 S33F13-F30 HydrophobicContact CB-CE1 4.28Å; F13-F30 HydrophobicContact CB-CE2 3.83Å; F13-F30 HydrophobicContact CB-CZ 3.63Å; F13-F30 AromaticContact CD1-CD2 3.73Å; F13-F30 HydrophobicContact CD1-CD2 3.73Å; F13-F30 AromaticContact CD1-CE2 3.77Å; F13-F30 HydrophobicContact CD1-CE2 3.77Å; F13-F30 HydrophobicContact CD1-CG 4.12Å; F13-F30 HydrophobicContact CD1-CZ 4.18Å; F13-F30 HydrophobicContact CD2-CD2 4.08Å; F13-F30 AromaticContact CD2-CE2 3.56Å; F13-F30 HydrophobicContact CD2-CE2 3.56Å; F13-F30 HydrophobicContact CD2-CZ 4.25Å; F13-F30 AromaticContact CE1-CD2 3.78Å; F13-F30 HydrophobicContact CE1-CD2 3.78Å; F13-F30 HydrophobicContact CE1-CE2 4.2Å; F13-F30 HydrophobicContact CE1-CG 4.26Å; F13-F30 HydrophobicContact CE2-CD2 4.14Å; F13-F30 HydrophobicContact CE2-CE2 4.02Å; F13-F30 AromaticContact CG-CD2 3.88Å; F13-F30 HydrophobicContact CG-CD2 3.88Å; F13-F30 HydrophobicContact CG-CE1 4.47Å; F13-F30 AromaticContact CG-CE2 3.41Å; F13-F30 HydrophobicContact CG-CE2 3.41Å; F13-F30 VanDerWaalsContact CG-CE2 3.41Å; F13-F30 AromaticContact CG-CZ 3.76Å; F13-F30 HydrophobicContact CG-CZ 3.76Å; F13-F30 AromaticContact CZ-CD2 3.99Å; F13-F30 HydrophobicContact CZ-CD2 3.99Å; F13-F30 HydrophobicContact CZ-CE2 4.31Å; V26-F30 HydrophobicContact CG1-CD2 4.23Å; V26-F30 HydrophobicContact CG1-CE2 4.05Å; V26-F30 WeakPolarHBondContact O-CD2 3.39Å; V26-F30 PolarHBondContact O-N 3.33Å; C27-F30 PolarHBondContact O-N 3.29Å; F30-S33 PolarHBondContact O-OG 3.32Å
31S53.8Low51.2Low72 Ų72119.7 Ų119.750%0.50363%0.632SS.*Hα-helixtrans-73.4-38.3169.6-68.20000112.3C27 S28 S33 R34C27-S31 PolarHBondContact O-N 3.35Å; C27-S31 PolarHBondContact O-OG 3.12Å; S28-S31 PolarHBondContact O-N 3.04Å; S31-S33 PolarHBondContact O-N 3.3Å; S31-R34 PolarHBondContact O-N 3Å
32S46.7Very low49.2Very low102 Ų102123.6 Ų123.671%0.71365%0.654SS**THydrogen-bonded Turntrans-69.1-14.5178.8-67.50000114.4S28S28-S32 PolarHBondContact O-N 3.01Å; S28-S32 VanDerWaalsContact O-N 3.1Å; S28-S32 PolarHBondContact O-OG 3.09Å
33S45.5Very low47.6Very low79 Ų79122.4 Ų122.455%0.55266%0.659SS**THydrogen-bonded Turntrans-96.723.217968.80000114F30 S31F30-S33 PolarHBondContact O-OG 3.32Å; S31-S33 PolarHBondContact O-N 3.3Å
34R43Very low45.5Very low180 Ų180122.7 Ų122.768%0.67967%0.673SS**SBendtrans-115.6139171.7-71.1-171.6174.9-143.11.9110.8S31S31-R34 PolarHBondContact O-N 3Å
35P34.4Very low43.9Very low119 Ų119119 Ų11977%0.77368%0.677SS**  trans-61.8155.5163.729.2-33.9000110.1C37P35-C37 PolarHBondContact O-N 3.22Å
36A33.9Very low42.5Very low104 Ų104116.5 Ų116.586%0.8668%0.677SS**  trans-70.194.5-15800000115.4R38A36-R38 PolarHBondContact O-N 3.2Å
37C31Very low40.9Very low101 Ų101125.7 Ų125.768%0.68271%0.711SS**  trans-81.799.7160.3-60.80000110P35 C39P35-C37 PolarHBondContact O-N 3.22Å; C37-C39 PolarHBondContact O-N 3.41Å
38R33.5Very low40Very low249 Ų249130.7 Ų130.794%0.9473%0.728SS**  trans-75.187.6169.8-101.9-175.2160.6-169.9-5.2110.1A36A36-R38 PolarHBondContact O-N 3.2Å
39C29.9Very low39Very low111 Ų111132.4 Ų132.475%0.7574%0.738SS**  trans-115.892.9171.8-60.80000109.7C37 L41C37-C39 PolarHBondContact O-N 3.41Å; C39-L41 PolarHBondContact O-N 2.96Å
40T36.4Very low37.6Very low140 Ų140132.1 Ų132.186%0.85974%0.743SS**  trans-77.9112.6169.1-46.40000108.1
41L31.2Very low36.6Very low167 Ų167135.1 Ų135.187%0.87477%0.769SS**  trans-142.2137.4171.3-14272.9000111.2C39C39-L41 PolarHBondContact O-N 2.96Å
42H30.1Very low35.7Very low178 Ų178137.1 Ų137.182%0.82478%0.784SS**  trans-86.6150.7-179.6-127.4-115.4000110.4
43P33.8Very low35.2Very low123 Ų123139.3 Ų139.380%0.79979%0.787SS**  trans-77.8128.1177.731-33.6000111.8
44G31.3Very low34.5Very low64 Ų64139.9 Ų139.966%0.6680%0.797SS**  trans171.3138.617100000113.4
45T30.1Very low34.1Very low154 Ų154136.4 Ų136.495%0.94580%0.8SS**  trans73.6148.1177.274.90000119
46T37.5Very low34.2Very low135 Ų135135.7 Ų135.783%0.82880%0.798SS**  trans-99.9127.4-173.8-56.50000109.8
47Y28.7Very low34.2Very low223 Ų223138.5 Ų138.588%0.87579%0.793SS**  trans-154.5151.7159.5-129.9-92.8000112.3
48Q43.2Very low34.4Very low165 Ų165139.7 Ų139.777%0.77179%0.793SS**  trans-83138.3170.4-98.8-80.663.600110.4
49P42Very low34.4Very low104 Ų104136.6 Ų136.668%0.67579%0.789SS**  trans-120100.4158.633.1-18.6000110.7
50D36Very low34.6Very low148 Ų148138.4 Ų138.479%0.79179%0.791SS**  trans-72.4137.7147.7-166.4-10.7000107.4
51C35.8Very low34.3Very low119 Ų119137.2 Ų137.280%0.80479%0.788SS**  trans-160.6106.9-179.7-114.90000111.4
52S35.9Very low34.3Very low115 Ų115140 Ų14080%0.80479%0.789SS**  trans-73.1168174.8-61.90000114.3
53D35.5Very low34.6Very low148 Ų148136.6 Ų136.679%0.79178%0.78SS**  trans-32.8134.1158.5-168.1-101.7000117
54A30.5Very low34.7Very low90 Ų90139.8 Ų139.874%0.74479%0.785SS**  trans-170.7128.3148.700000106.5
55S35.4Very low34.7Very low107 Ų107140.6 Ų140.675%0.74879%0.793SS**  cis71.190.921-157.60000115.1
56S36.4Very low35Very low104 Ų104140.7 Ų140.773%0.72778%0.782SS**  trans-176.3162.9133.6-150.40000112.8
57Q34Very low34.9Very low164 Ų164142.3 Ų142.377%0.76678%0.778SS**  trans64.5146.7157.9-70.3-179.2-99.700121
58D34.3Very low35.3Very low126 Ų126140.5 Ų140.567%0.67478%0.775SS**  cis-157.5-157.3-25.352.8-144.9000111.4
59E33.4Very low35Very low183 Ų183140.2 Ų140.286%0.85577%0.771SS**  trans-103.8168.4-135.3-40.4-168.5117.800116.4
60D34.8Very low34.7Very low150 Ų150142.8 Ų142.880%0.80277%0.773SS**  trans-31.5145.6176.8-63.6-107.9000120.2
61S29.7Very low34.4Very low114 Ų114140 Ų14080%0.79777%0.771SS**  175.9113.1113.1-80.90000117.3
62Y31.7Very low34.4Very low227 Ų227139.3 Ų139.389%0.8977%0.767SS**  65.1160.2126.8-151.6-137.1000123.9
63V36.2Very low34.4Very low105 Ų105143.6 Ų143.664%0.63677%0.771SS**  trans73.587.7166.8-156.90000121.4
64Q35.8Very low34.3Very low191 Ų191141.6 Ų141.689%0.89377%0.769SS**  22.497115.9-16481.6-13.800119
65G31.7Very low35.1Very low81 Ų81142.7 Ų142.784%0.83577%0.769SS**  trans-136.8117.9177.900000115.7
66H35.8Very low34.9Very low155 Ų155142.7 Ų142.772%0.71877%0.768SS**  trans-115.6115-170-174.2-119000114.2
67K36.2Very low34.9Very low170 Ų170146 Ų14674%0.73977%0.771SS**  trans58.3136.2151.5-70.2-174.8-174.9144.40121.6
68K36.3Very low34.8Very low185 Ų185144.4 Ų144.480%0.80477%0.768SS**  trans100.594.8131.1-163.2179.5176-171.80121.4
69K37.8Very low34.9Very low159 Ų159145.5 Ų145.569%0.69177%0.773SS**  83.2137.3129.2-76.8-178.1162.7-111.90123.7
70H35.1Very low35.1Very low157 Ų157141.1 Ų141.173%0.72776%0.762SS**  trans32.1114.8145.5-49.8-76000122.5
71A29.4Very low35.2Very low90 Ų90145.8 Ų145.874%0.74477%0.769SS**  -179.6120.712100000106.7
72S37.2Very low35.4Very low104 Ų104144.5 Ų144.573%0.72777%0.765SS**  74123.754.884.50000114.8
73K35.3Very low35.6Very low205 Ų205142.3 Ų142.389%0.89176%0.76SS**  trans94.4121.1171.1-56.1174.8-177.9178.90118.1
74S33.8Very low35.4Very low107 Ų107141.9 Ų141.975%0.74876%0.762SS**  trans-75.6163.2158.21800000110.1
75P46.2Very low36.6Very low113 Ų113138.1 Ų138.173%0.73475%0.754SS**  -145.1143.1107.436.4-21.5000116.8
76C31.8Very low36.8Very low107 Ų107142.1 Ų142.172%0.72375%0.751SS**  trans36128.2135.8-48.90000122.1
77Q36.3Very low36.8Very low172 Ų172137.8 Ų137.880%0.80475%0.748SS**  -180133.7101-93.4178.4101.100111.1
78L31.5Very low36.6Very low131 Ų131135.3 Ų135.369%0.68674%0.743SS**  69.6121.590.9-135.682.1000111.4
79L37.5Very low36.8Very low150 Ų150131.1 Ų131.179%0.78573%0.733SS**  cis-157.9179.243.4-76.7156000109.8
80S38Very low36.5Very low91 Ų91134.2 Ų134.264%0.63674%0.74SS**  cis175.1172.8-42-88.60000109.7
81R35.3Very low36.4Very low248 Ų248137 Ų13794%0.93674%0.744SS**  trans78.5139.5163.3-129.4159.6-173.3-105.65.9114.1
82A35.2Very low36.5Very low87 Ų87136.1 Ų136.172%0.71975%0.745SS**  cis-166.4168.6-1.700000110.7
83K35.5Very low36.2Very low181 Ų181134.8 Ų134.879%0.78775%0.748SS**  cis-178.8112.3-21.4166.9170.2175-175.40112.5
84S32Very low36.4Very low96 Ų96134.6 Ų134.667%0.67175%0.749SS**  trans58.2179.3144.678.40000120.1
85P60.3Low36.3Very low112 Ų112134.5 Ų134.573%0.72776%0.755SS**  cis-126.7-158.3-7.247.5-31.5000111.3
86Q37.2Very low36Very low164 Ų164133.5 Ų133.577%0.76676%0.756SS**  cis-151.8147.7-9.7-155.4-174.9-62.400111.1D88Q86-D88 PolarHBondContact NE2-OD2 3.12Å
87G34.5Very low35.9Very low64 Ų64136.4 Ų136.466%0.6676%0.759SS**  trans79.1164.8132.600000121.8
88D33.4Very low35.9Very low119 Ų119134.8 Ų134.864%0.63676%0.755SS**  cis-176151.7-14.8-100.4-43.3000109.3Q86Q86-D88 PolarHBondContact NE2-OD2 3.12Å
89T39.1Very low36.1Very low97 Ų97136.8 Ų136.860%0.59577%0.767SS**  cis-164.2122-17.8-128.70000112.4
90W32.4Very low35.8Very low223 Ų223132.7 Ų132.785%0.84576%0.76SS**  trans58.8173.2167.6-57.167.6000116.2
91R32.8Very low36.8Very low215 Ų215134.3 Ų134.381%0.81177%0.769SS**  cis-143.5165.8-3.9-122.6-179-57-84.30.3105
92G30.7Very low37.6Very low73 Ų73127.6 Ų127.675%0.75376%0.757SS**  cis116.399.68.200000112.2
93G31.9Very low37.7Very low76 Ų76128.6 Ų128.678%0.78475%0.751SS**  trans147.8135.5169.900000116.3
94H39.4Very low37.9Very low201 Ų201129.9 Ų129.993%0.93175%0.75SS**  trans-87.4158.4-177.2-41.3-90.7000113
95A32.1Very low38.4Very low104 Ų104135.5 Ų135.586%0.8676%0.757SS**  trans-144.3158.915700000109.7
96A38.8Very low37.2Very low93 Ų93138.4 Ų138.477%0.76976%0.758SS**  trans-126.7-165.6-179.900000110.5
97E30.9Very low37Very low167 Ų167139.6 Ų139.678%0.7876%0.761SS**  trans90.5122.7162.4-58.4-143.296.900120.1
98L36.4Very low36.9Very low139 Ų139141.5 Ų141.573%0.72876%0.764SS**  trans61.3107136-58.5171.3000120
99N34.6Very low36.8Very low173 Ų173140.7 Ų140.793%0.92577%0.767SS**  -151.9160.1105.7-111.3-76000112.3
100G30.9Very low36.5Very low63 Ų63140.9 Ų140.965%0.64977%0.769SS**  trans-117.9177.6-168.800000115.9
101P59.9Low36.5Very low125 Ų125136.8 Ų136.881%0.81277%0.768SS**  trans-100.7170.7-172.342.7-37.9000113.2
102P51Low36.5Very low107 Ų107137.6 Ų137.670%0.69577%0.771SS**  -135.5-174.584.237.9-22000111.8
103D37.3Very low36.4Very low108 Ų108139.5 Ų139.558%0.57877%0.772SS**  cis-133.114812.9-102.3-79.1000110.1
104R40.8Very low36.2Very low208 Ų208141.3 Ų141.379%0.78577%0.773SS**  48.7138.789.6-46.4-169.3-166.9125.5-12.9114.7
105R42.4Very low36Very low214 Ų214140.5 Ų140.581%0.80877%0.77SS**  cis-160.1136.511.8-147.2-176.1-170.8-1637.2113.2
106K34.1Very low35.9Very low173 Ų173141.4 Ų141.475%0.75276%0.76SS**  trans45109.5149.5-74.5-177.3175-175.90121.8
107K34Very low35.6Very low190 Ų190141.7 Ų141.783%0.82676%0.762SS**  82.3142.3110.5-161.4177-178178.40120.1
108S32.6Very low35.6Very low104 Ų104141.6 Ų141.673%0.72776%0.762SS**  trans68.4153.2167.418.40000116.7
109S30.3Very low35.4Very low101 Ų101144 Ų14471%0.70677%0.769SS**  cis-176149.9-2447.10000110.4
110V32.5Very low35.2Very low102 Ų102143.3 Ų143.362%0.61876%0.76SS**  trans62.6110.8150.9171.20000118.5
111V33.2Very low35.4Very low136 Ų136147.4 Ų147.482%0.82477%0.766SS**  trans69.3131.2142.1173.70000120.1
112R32.1Very low34.1Very low233 Ų233146 Ų14688%0.87975%0.752SS**  trans-84.3165.9166.1-51.8173.3173.6163.1-6.3109.5
113S29.2Very low33.8Very low112 Ų112144 Ų14478%0.78374%0.739SS**  cis-158.4160.49.8-143.90000108.8
114S28Very low33.6Very low114 Ų114142.6 Ų142.680%0.79773%0.732SS**  trans-129.8138.8172.4-53.80000110.6
115Q34.5Very low33.3Very low185 Ų185138.5 Ų138.586%0.86472%0.716SS**  trans164.5145.5160.8-98.7178.7-29.600108.2
116D31Very low32.8Very low123 Ų123135.9 Ų135.966%0.65871%0.706SS**  cis-161.3155.5-16.5-151.3-79.2000110.2
117A31.9Very low32.7Very low98 Ų98132.6 Ų132.681%0.8171%0.705SS**  trans171.7112154.200000111.2
118E30.7Very low32.6Very low166 Ų166132.4 Ų132.478%0.77671%0.707SS**  trans-89.6144.4-178.7-60.4-179.984.700115.2
119Q32.5Very low33Very low189 Ų189133 Ų13388%0.88371%0.708SS**  -178.3105.7128.5-98.7150.69800109.3
120H30.5Very low32.9Very low159 Ų159132.4 Ų132.474%0.73671%0.709SS**  81.48472.3-178.6-99.3000114.2
121L35.4Very low32.7Very low148 Ų148132.7 Ų132.778%0.77572%0.716SS**  -175.7147.2115.3-98.7167.8000113.1
122D32.4Very low32.6Very low97 Ų97135.7 Ų135.752%0.51972%0.718SS.*  trans-121.6-171.6178.5-111.9-38.9000110.8E334D122-E334 WeakPolarHBondContact OD1-CB 3.4Å; D122-E334 WeakPolarHBondContact OD1-CG 3.41Å
123P44.9Very low32.6Very low64 Ų64130 Ų13042%0.41671%0.714SS.*  cis-141-151.126.541-15.7000116.2P332 A333 E334P123-P332 VanDerWaalsContact CD-CB 3.45Å; P123-A333 CarbonylContact O-C 3.34Å; P123-A333 WeakPolarHBondContact O-CA 3.24Å; P123-A333 WeakPolarHBondContact O-CB 3.32Å; P123-A333 PolarHBondContact O-N 2.72Å; P123-E334 WeakPolarHBondContact CA-OE2 2.89Å; P123-E334 WeakPolarHBondContact CB-OE2 3.06Å; P123-E334 PolarHBondContact O-N 3.38Å
124D32Very low32.6Very low79 Ų79134.2 Ų134.242%0.42272%0.718SS.*BIsolated β-bridgetrans-35.1116.5-160.4-82.2-72.9000129.6A333 E334 V335D124-A333 WeakPolarHBondContact O-CB 3.26Å; D124-E334 CarbonylContact C-O 2.81Å; D124-E334 VanDerWaalsContact CA-O 3.23Å; D124-E334 WeakPolarHBondContact CA-O 3.42Å; D124-E334 WeakPolarHBondContact CA-OE2 3.05Å; D124-E334 PolarHBondContact N-OE2 2.99Å; D124-V335 WeakPolarHBondContact OD1-CG2 3.38Å
125R34.4Very low33.3Very low121 Ų121133.4 Ų133.446%0.45771%0.713SS.*  119.3136.5124.8-75.8163.7-156.7-96.3-30.3119A333 E334 E336R125-A333 VanDerWaalsContact N-C 3.27Å; R125-E334 WeakPolarHBondContact CA-O 3.33Å; R125-E334 WeakPolarHBondContact CG-O 3.32Å; R125-E334 PolarHBondContact N-O 3.04Å; R125-E336 IonicContact CZ-OE1 3.25Å; R125-E336 VanDerWaalsContact CZ-OE1 3.25Å; R125-E336 IonicContact CZ-OE2 3.87Å; R125-E336 IonicContact NH1-OE1 2.74Å; R125-E336 PolarHBondContact NH1-OE1 3.49Å; R125-E336 IonicContact NH1-OE2 3.02Å; R125-E336 PolarHBondContact NH1-OE2 2.86Å; R125-E336 IonicContact NH2-OE1 2.95Å; R125-E336 PolarHBondContact NH2-OE1 3.23Å
126R33.6Very low33.3Very low159 Ų159135.7 Ų135.760%0.671%0.713SS**  cis-172.6155.2-0.9-169.3-173.7-142.6-1646.3112.1E336R126-E336 HydrophobicContact CG-CB 4.2Å; R126-E336 IonicContact CZ-OE2 3.3Å; R126-E336 VanDerWaalsContact CZ-OE2 3.3Å; R126-E336 IonicContact NE-OE2 3.18Å; R126-E336 PolarHBondContact NE-OE2 2.93Å; R126-E336 IonicContact NH2-OE2 2.64Å; R126-E336 PolarHBondContact NH2-OE2 2.68Å
127S31.3Very low33.2Very low104 Ų104138.1 Ų138.173%0.72772%0.718SS**  trans67141.4157.756.70000123.7
128H30.8Very low33.7Very low186 Ų186140.5 Ų140.586%0.86172%0.716SS**  trans-93.7-177167.5-49.2-73.1000111.4
129P41.8Very low34.5Very low118 Ų118138 Ų13877%0.76672%0.715SS**  cis-140177.20.344.3-26.5000117.9
130A27.8Very low34.4Very low88 Ų88132.4 Ų132.473%0.72771%0.707SS**  trans68.9126.414300000123.4
131S29.6Very low34.7Very low108 Ų108129.2 Ų129.276%0.75570%0.696SS**  trans83108.9140.974.30000121.8
132K30Very low34.9Very low198 Ų198129 Ų12986%0.86169%0.685SS**  trans4495.4131.4-58.6-179-179.6177.90118.6
133S32.9Very low35.4Very low114 Ų114129.5 Ų129.580%0.79769%0.688SS**  134.5157.298.270.80000117.9
134K29.5Very low34.9Very low201 Ų201135.4 Ų135.487%0.87471%0.707SS**  trans95.6141.6149.6-148.2164.9-171.9171.80118.7
135S40.8Very low35Very low97 Ų97139.8 Ų139.868%0.67873%0.727SS**  trans-91.8173.3-172.358.30000114.2
136R34.6Very low35.2Very low233 Ų233137.5 Ų137.588%0.87973%0.734SS**  trans-128.1122.6162-75.9-172.5-98.4-146.6-2.9108.1
137F30.1Very low35.4Very low173 Ų173136.2 Ų136.276%0.75974%0.743SS**  70.9106.678.9-77.5-69.3000111.5
138L41.8Very low35.6Very low148 Ų148141 Ų14178%0.77575%0.751SS**  81.6160.686.6-82.8-156.3000113
139P47.9Very low35.9Very low114 Ų114134.9 Ų134.974%0.7474%0.738SS**  cis-148.7-177.93744-23.1000119.6
140G31Very low35.8Very low71 Ų71137.1 Ų137.173%0.73273%0.731SS**  trans166.971.5168.200000116.1
141D36Very low35.9Very low93 Ų93136.3 Ų136.350%0.49773%0.731SS.*  trans-89176.3175.7172.7-128.5000113.2T470 Q471 Q472 Q473D141-T470 CarbonylContact C-O 3.44Å; D141-T470 CarbonylContact O-C 3.21Å; D141-Q471 CarbonylContact O-C 3.32Å; D141-Q471 WeakPolarHBondContact O-CA 3.35Å; D141-Q471 PolarHBondContact O-N 3.03Å; D141-Q472 VanDerWaalsContact C-N 3.32Å; D141-Q472 PolarHBondContact O-N 3.21Å; D141-Q473 PolarHBondContact OD1-N 3.29Å
142R39.2Very low36.1Very low142 Ų142133.5 Ų133.554%0.53672%0.715SS.*BIsolated β-bridgetrans-169.6141.2137.1-168.6162.3-171.3138.718.3113.6T470 Q471R142-T470 WeakPolarHBondContact CB-O 3.36Å; R142-Q471 VanDerWaalsContact CB-N 3.34Å; R142-Q471 WeakPolarHBondContact CB-O 3.42Å; R142-Q471 WeakPolarHBondContact CD-O 3.4Å; R142-Q471 WeakPolarHBondContact CG-O 3.43Å
143D42.7Very low36.3Very low108 Ų108127.6 Ų127.658%0.57870%0.703SS**  trans26125.5159.8-71.4-59.1000118
144K34.4Very low36.2Very low189 Ų189131.1 Ų131.182%0.82270%0.704SS**  -156.1111.364.2-170.4178.6-176.5-177.40114.4
145M33.9Very low36.3Very low170 Ų170128.6 Ų128.684%0.83770%0.7SS**  trans59.7134.7140-160.4177.6-169.300120.5
146A40.2Very low35.8Very low74 Ų74129.3 Ų129.361%0.61270%0.7SS**  cis-171.1148.2-22.800000110.5
147V37.9Very low35.8Very low131 Ų131125.9 Ų125.979%0.79470%0.699SS**  trans50131.1134.9177.60000118.7
148K35.2Very low35.7Very low205 Ų205121.5 Ų121.589%0.89170%0.703SS**  cis-155.4164.924.8-137.6158-176.7176.80106
149G36.3Very low35.4Very low57 Ų57120.8 Ų120.859%0.58871%0.705SS**  cis158.9128.313.600000105.7
150R40.2Very low34.8Very low165 Ų165123.2 Ų123.262%0.62371%0.711SS**  71135.992.4-68.4-172.2-164.5-77-3.9116P475 P476 Q477R150-P475 PolarHBondContact NH2-O 2.84Å; R150-P476 PolarHBondContact NH1-O 3.03Å; R150-Q477 HydrophobicContact CG-CB 4.02Å; R150-Q477 HydrophobicContact CG-CG 4.42Å
151G30.3Very low35Very low71 Ų71127.4 Ų127.473%0.73272%0.715SS**  trans112.7100.2178.700000111.6Q477G151-Q477 VanDerWaalsContact N-OE1 3.16Å
152A34.1Very low35.6Very low49 Ų49128.6 Ų128.641%0.40573%0.728SS.*  cis84.387.42500000116.5
153A33.2Very low35.1Very low75 Ų75126 Ų12662%0.6274%0.737SS**  trans79.3159.4141.600000122.3
154F31.9Very low34.7Very low187 Ų187129.3 Ų129.382%0.8275%0.754SS**  trans94.1121.6157-64-67.6000122.3
155L30.5Very low34.5Very low149 Ų149125.3 Ų125.378%0.7875%0.75SS**  trans94.6148133.1-76.4167.6000123.8
156T30.4Very low35.1Very low111 Ų111122.2 Ų122.268%0.68174%0.743SS**  trans73.1113154.742.70000122.8
157N33.9Very low34.8Very low162 Ų162125.8 Ų125.887%0.86675%0.747SS**  37.5128.9120.4-56.4-15.8000120.8
158G29.2Very low34.5Very low81 Ų81129.3 Ų129.384%0.83575%0.746SS**  trans-164.698.9164.200000112.9
159T35.8Very low34.5Very low133 Ų133128.7 Ų128.782%0.81674%0.743SS**  trans-84.8142.9176.1-49.10000110.7
160L34.2Very low34.4Very low164 Ų164132.3 Ų132.386%0.85975%0.754SS**  162.8142129-85.5165.9000113.9
161L35.1Very low34.3Very low159 Ų159127.4 Ų127.483%0.83275%0.754SS**  trans-103.5-178.9158.6-68.8171.4000107.8
162P48.6Very low34.8Very low118 Ų118129.9 Ų129.977%0.76676%0.757SS**  cis-126.8178.9-10.640.5-26.8000113.3
163A29.3Very low35Very low88 Ų88132.6 Ų132.673%0.72777%0.774SS**  trans-179.4127.4134.400000114.6
164L34Very low35Very low177 Ų177137.6 Ų137.693%0.92778%0.783SS**  trans62.6168.7145-60.8173000120.5
165S29.9Very low35.4Very low106 Ų106132.1 Ų132.174%0.74177%0.773SS**  trans-140.8-168.3-167.368.30000108.9
166P47.1Very low35.6Very low105 Ų105132.5 Ų132.568%0.68278%0.776SS**  cis-125.1166.6-29.637.1-24.6000112.1
167Q33.1Very low35.8Very low148 Ų148131.5 Ų131.569%0.69277%0.77SS**  176.1146.8125.7-101.7-170.560.200116
168R32.8Very low35.9Very low206 Ų206133.4 Ų133.478%0.77777%0.771SS**  trans53.5109.6142.7-70.5-174.1179.4157.1-0.4121.7
169K35.6Very low36.2Very low191 Ų191132.9 Ų132.983%0.8377%0.765SS**  91.1152.7111.5-161.1178.9-178.7-177.60117.2
170V33.6Very low36.1Very low134 Ų134134.8 Ų134.881%0.81277%0.765SS**  trans76.9119177.2-168.70000114.7
171G37.7Very low36.3Very low62 Ų62132.5 Ų132.564%0.63976%0.758SS**  trans-100.5-179.3157.600000110.1
172P40.4Very low36.6Very low122 Ų122130.3 Ų130.379%0.79276%0.756SS**  -155.5176.264.843.3-23.6000117.8
173S39.9Very low36.3Very low107 Ų107129.9 Ų129.975%0.74876%0.755SS**  trans27.3118.1145.763.60000123.6
174H32.8Very low36.7Very low179 Ų179133.1 Ų133.183%0.82976%0.756SS**  -158.1120.1129-144-94.5000105.7
175A38.9Very low36.8Very low73 Ų73130.4 Ų130.460%0.60375%0.752SS**  72.49257.400000113
176D34.6Very low37.4Very low156 Ų156131.2 Ų131.283%0.83476%0.756SS**  trans-152.3174.7142.5-119.2-38.1000111.8
177T36.3Very low36.9Very low90 Ų90131.9 Ų131.955%0.55276%0.763SS**  -145.5156.6-119.1-41.30000111.3
178F34.3Very low37.4Very low202 Ų202130.6 Ų130.689%0.88677%0.77SS**  trans81.1141165.3-58.4-65.5000121.4
179G36.4Very low38.2Very low70 Ų70126.7 Ų126.772%0.72277%0.772SS**  trans99134.1156.800000117.1
180E34.3Very low38.1Very low174 Ų174123.2 Ų123.281%0.81377%0.772SS**  cis-163.9160.1-28.5-135.3177.8123.700110.8
181T37.8Very low38.5Very low116 Ų116122 Ų12271%0.71277%0.769SS**  trans60.4128.5163.459.10000121.7
182S42.3Very low38.7Very low112 Ų112125.5 Ų125.578%0.78378%0.78SS**  trans37.5124.9136-50.70000122.2
183S41.3Very low38.8Very low109 Ų109127.7 Ų127.776%0.76278%0.78SS**  -167.1177.2100.2-121.20000113.1
184E37Very low38.6Very low156 Ų156132.3 Ų132.373%0.72978%0.782SS**  trans-66.5150.4-176.560.7-94.753.800115.7
185S36.2Very low38.7Very low121 Ų121135.2 Ų135.285%0.84679%0.786SS**  -179.9156122.8-83.50000113.8
186C43.6Very low38.5Very low123 Ų123142.5 Ų142.583%0.83180%0.798SS**  trans-72.7147.2-179.5-52.20000113.2
187S35.4Very low38.8Very low118 Ų118145.1 Ų145.183%0.82580%0.796SS**  177.5143.8120.6-790000112.9
188S44.6Very low38.5Very low122 Ų122147.7 Ų147.785%0.85380%0.802SS**  trans-76.5151.8162.9-49.10000110.8
189P50.3Low38.7Very low124 Ų124142.9 Ų142.981%0.80579%0.794SS**  trans-128.5156146.136.4-26.7000113.5
190S32Very low39.2Very low118 Ų118147.6 Ų147.683%0.82580%0.801SS**  trans-83.7168.1-178.9-56.90000113.9
191S41.7Very low39.4Very low107 Ų107147.7 Ų147.775%0.74880%0.802SS**  trans2.8124.2158.3-52.20000120
192P43.1Very low39.7Very low136 Ų136147.6 Ų147.688%0.88381%0.805SS**  trans-82.3129.8153.732.9-29.8000110.9
193Q41.2Very low40.2Very low169 Ų169149.4 Ų149.479%0.7981%0.806SS**  trans-115.7140.9172.6-112.9-175.5-200110.9
194Y36.6Very low40.4Very low204 Ų204151.6 Ų151.680%0.881%0.81SS**  trans57.2117.4162.7-75.9-81.2000121.9
195R33.8Very low41.1Very low239 Ų239150.3 Ų150.390%0.90281%0.808SS**  -112135.8118.5-72-175.4175.3-169.6-0.5106.1
196R36.2Very low41.8Very low226 Ų226151.8 Ų151.885%0.85381%0.806SS**  cis76.9100.231.2-166.8179.2-81.8-170.7-3.5115.4
197R39.9Very low42.3Very low212 Ų212153.7 Ų153.780%0.881%0.808SS**  trans-119.1138.8139.2-84.4-165.4-174.3-88.812.7105.5
198Q31Very low43.4Very low143 Ų143155 Ų15567%0.66880%0.799SS**  60.6121.772-68175.5-32.100111.2
199S39Very low43.5Very low102 Ų102154.9 Ų154.971%0.71379%0.789SS**  cis-156.9-168.93.4-73.30000110.6
200L45.7Very low43.8Very low168 Ų168155 Ų15588%0.8879%0.792SS**  trans83.7121.6177.2-49.2175.5000113.2
201E39.1Very low44.7Very low177 Ų177157 Ų15783%0.82779%0.794SS**  cis91.383.723.6-160.287.744.700114.1
202S44.3Very low45Very low113 Ų113157.3 Ų157.379%0.7980%0.796SS**  trans-171.1120.214857.40000109.8
203D52.7Low45.5Very low150 Ų150158.8 Ų158.880%0.80279%0.791SS**  trans-76.4-168.2159.7-84.6-82.4000110.3
204D45.8Very low45.8Very low155 Ų155156.3 Ų156.383%0.82979%0.793SS**  trans70.4147.9175.1-92.912000116.9
205D50.8Low46.4Very low130 Ų130153.5 Ų153.570%0.69579%0.791SS**  cis-144.9162.8-8.7-166.64.7000109.3
206N52Low46.7Very low151 Ų151149.9 Ų149.981%0.80779%0.79SS**  trans-79.5119.1163.5-67.5-100.3000108.5
207N54.2Low46.9Very low163 Ų163142.3 Ų142.387%0.87278%0.782SS**  trans-119.6151.6152.1-156.316000112.2
208K56.5Low46.6Very low145 Ų145135.6 Ų135.663%0.6378%0.778SS**  trans-127.3159.5-152-131.5-78.1-167.51760106.7
209D48.1Very low47Very low120 Ų120139.2 Ų139.264%0.64279%0.792SS**  trans31.6112.1163.7-54.7-19.1000119
210S56.7Low46.5Very low126 Ų126137.2 Ų137.288%0.88179%0.788SS**  trans-153.871.8151.4-77.80000111
211D49.4Very low46.2Very low160 Ų160138.4 Ų138.486%0.85679%0.789SS**  trans-62.9128.6152.1-80.8-59.3000109
212S48.4Very low46.1Very low115 Ų115134.4 Ų134.480%0.80479%0.786SS**  trans-175.3111142.5-106.70000110.9
213H53.9Low46.4Very low167 Ų167134.7 Ų134.777%0.77379%0.785SS**  trans-69.6150.7158.7-80.1-105.5000110.2
214S48.4Very low45.4Very low117 Ų117133.8 Ų133.882%0.81878%0.78SS**  trans-156.386.5164.1-73.10000109.3
215D49.7Very low44.9Very low145 Ų145132.5 Ų132.578%0.77577%0.773SS**  trans-77.2117.8168.8-74.2-96.6000110.5
216D38.6Very low44.1Very low163 Ų163135.7 Ų135.787%0.87278%0.781SS**  trans-162.4138.8150.4-151.8-80.8000107.9
217G40.4Very low43.7Very low66 Ų66137.6 Ų137.668%0.6878%0.782SS**  cis148.5122.9-1.100000109.5
218G34.3Very low42.8Very low71 Ų71136.1 Ų136.173%0.73278%0.779SS**  trans16740.6-176.700000123.1
219K38.3Very low41.5Very low220 Ų220139.4 Ų139.496%0.95779%0.787SS**  trans69.6148.2164.4-50.2-174.9177.4-171.70117
220G29.9Very low40.5Very low60 Ų60141 Ų14162%0.61979%0.791SS**  cis-174.1175.8-3.800000112.5
221E38.3Very low39.3Very low193 Ų193139.3 Ų139.390%0.90279%0.785SS**  trans58.591.3169.3-64.4161.399.500114.8
222A36.6Very low38.3Very low93 Ų93139.1 Ų139.177%0.76978%0.784SS**  cis66.8140.940.400000114.5
223P51.2Low37.4Very low118 Ų118138.8 Ų138.877%0.76678%0.78SS**  cis-102.5-139.94.228.2-6.8000111
224D31.3Very low36.3Very low132 Ų132136 Ų13671%0.70679%0.786SS**  cis-154.3-142.35.6-15870.9000113.2
225L37.1Very low35.3Very low128 Ų128134.1 Ų134.167%0.6779%0.785SS**  trans-133.9150.4-148.7-65.6170.2000118
226F33Very low34.5Very low197 Ų197135.3 Ų135.386%0.86479%0.791SS**  trans56.8164.3141.3-80.2-62.9000124.9
227F43.4Very low34.2Very low190 Ų190132 Ų13283%0.83379%0.785SS**  trans-82.4163.5174-106.5-99.3000112.8
228T35.5Very low33.7Very low132 Ų132136.1 Ų136.181%0.8179%0.792SS**  trans70.6112.8157.746.10000121.2
229R28.2Very low33.5Very low214 Ų214136.7 Ų136.781%0.80879%0.79SS**  116.6116.9128.7-158.6-172-169.7-124.94.8117.9
230Q28.9Very low33.4Very low153 Ų153130.6 Ų130.672%0.71578%0.78SS**  trans74.9144.3152.4-89.6179.7-45.700122.4
231A30.5Very low33.9Very low91 Ų91133.1 Ų133.175%0.75279%0.786SS**  trans85.495.3145.600000121.6
232D29.5Very low33.4Very low157 Ų157133 Ų13384%0.8479%0.785SS**  81.4160.6121.8-110.7-58.5000124.7
233C27.5Very low32.9Very low108 Ų108131.8 Ų131.873%0.7378%0.782SS**  trans61.788.6162-73.30000122.7
234A31.2Very low32.4Very low107 Ų107131.7 Ų131.788%0.88478%0.781SS**  60.8129.9113.600000124.5
235G28.5Very low32.4Very low78 Ų78132 Ų13280%0.80478%0.783SS**  trans96.8161.3153.100000116.8
236L33.3Very low32Very low171 Ų171134.2 Ų134.290%0.89579%0.787SS**  cis-169.2145.9-19.4178.864.3000109.2
237A30.7Very low32Very low92 Ų92130.9 Ų130.976%0.7678%0.783SS**  trans65163163.200000118.7
238D30.3Very low31.3Very low154 Ų154127.2 Ų127.282%0.82478%0.782SS**  cis-167.4175.1-31.2-176.7-136.6000109.8
239A30.7Very low31.2Very low83 Ų83125.8 Ų125.869%0.68678%0.777SS**  trans84.6116.5156.200000120.2
240A34.9Very low32.2Very low91 Ų91121.2 Ų121.275%0.75278%0.775SS**  trans-89.4-173.5157.700000110.7
241P41.6Very low32.3Very low113 Ų113124 Ų12473%0.73478%0.78SS**  -158.7173.298.839.6-19.4000119
242Q28.5Very low32.5Very low191 Ų191126.9 Ų126.989%0.89378%0.782SS**  trans88.3129.8156.5-45.1-1625.100121.4
243G25.2Very low32.8Very low67 Ų67124.1 Ų124.169%0.69177%0.773SS**  trans-93.4-145.7162.800000111.3
244P41.4Very low33.2Very low117 Ų117124.4 Ų124.476%0.7677%0.774SS**  cis-119.5-169.517.710.416.4000112.6
245D29.7Very low33.4Very low137 Ų137127.1 Ų127.173%0.73377%0.772SS**  cis176.9176.2-36.8-107.5-62.7000108.3
246F30.4Very low33.8Very low175 Ų175128 Ų12877%0.76877%0.772SS**  trans102.891.9157.4-56.9-66.8000120.9
247T31.3Very low33.7Very low127 Ų127125.9 Ų125.978%0.77977%0.77SS**  46.3155.2118.819.70000122.2
248S30Very low33.9Very low114 Ų114129.2 Ų129.280%0.79777%0.774SS**  cis-159.3-179.215.546.50000113.1
249S34Very low34.2Very low102 Ų102129.2 Ų129.271%0.71377%0.773SS**  trans-132.1153.2170.11700000110.4
250P47.5Very low34.6Very low118 Ų118131 Ų13177%0.76678%0.778SS**  trans-143.1113143.234.2-16.9000116.3
251Y32.7Very low34.6Very low211 Ų211134.1 Ų134.183%0.82778%0.782SS**  50.8143.7113.8-100.6-86000125
252L33.2Very low34.1Very low151 Ų151132.5 Ų132.579%0.79179%0.786SS**  trans79156.4162-57.4174.5000118.9
253P37.2Very low34.4Very low100 Ų100128 Ų12865%0.64978%0.782SS**  cis-135.6159.4-47.738.6-24.3000113.9
254P35.3Very low35.1Very low114 Ų114130.7 Ų130.774%0.7479%0.787SS**PPolyproline II helixtrans-84.3126.3174.132.5-32.3000112.7
255L36Very low34.7Very low163 Ų163132 Ų13285%0.85379%0.788SS**PPolyproline II helixtrans-84.7138.8172.6-71.2173.7000111.9
256A35.4Very low35.2Very low96 Ų96131.5 Ų131.579%0.79379%0.792SS**PPolyproline II helixtrans-83.2128.2174.300000111.3
257C31.4Very low35.4Very low128 Ų128129.7 Ų129.787%0.86580%0.795SS**PPolyproline II helixtrans-100.6119.8167.9-70.20000109.7
258L34.8Very low35.7Very low162 Ų162127.9 Ų127.985%0.84879%0.793SS**PPolyproline II helixtrans-79.8149.7179.4-69.3167000111.4P260L258-P260 WeakPolarHBondContact O-CD 3.38Å
259L36.4Very low36.4Very low153 Ų153128.4 Ų128.480%0.80179%0.793SS**PPolyproline II helixtrans-83125170.5-13176.6000110
260P40.5Very low36.3Very low121 Ų121131.6 Ų131.679%0.78680%0.802SS**  trans-95.5101.6164.45.315.6000109.5L258L258-P260 WeakPolarHBondContact O-CD 3.38Å
261N34.9Very low35.6Very low156 Ų156129.3 Ų129.383%0.83480%0.8SS**  trans-77.8128.1155.7-79.4-33.3000107.6
262G30.8Very low35.6Very low79 Ų79128.7 Ų128.781%0.81480%0.802SS**  trans176.798178.100000113.7
263A34.4Very low36Very low98 Ų98127 Ų12781%0.8180%0.799SS**  trans-106.1147.6157.600000108.7
264P40.9Very low36.4Very low123 Ų123127.4 Ų127.480%0.79980%0.803SS**  trans-130.8145.3138.236.1-27.4000112.3
265D32.4Very low36.8Very low145 Ų145127.8 Ų127.878%0.77581%0.805SS**  trans-70.8147.6179.4-58.8-94.8000113.9
266P39.3Very low36.7Very low126 Ų126124.8 Ų124.882%0.81880%0.804SS**  trans-80.8110.1152.432.3-28000109.8A268P266-A268 PolarHBondContact O-N 3.34Å
267V35.9Very low36.4Very low137 Ų137123.7 Ų123.783%0.8380%0.801SS**  trans-64.3131.9176.6172.30000111.2
268A36Very low36.9Very low89 Ų89123 Ų12374%0.73680%0.795SS**  trans-119.6131.9165.200000109.7P266P266-A268 PolarHBondContact O-N 3.34Å
269P46.4Very low36.8Very low124 Ų124120.1 Ų120.181%0.80578%0.78SS**  trans-82.6129-175.131.1-33.9000113.8
270D31.8Very low36.6Very low169 Ų169116 Ų11690%0.90476%0.764SS**  trans8.6142.8145.5-145.7-96.3000121.7
271G32.5Very low36.2Very low70 Ų70115.5 Ų115.572%0.72276%0.759SS**  trans152.8108.4166.100000116.7
272K31Very low36.4Very low199 Ų199112.3 Ų112.387%0.86575%0.745SS**  trans-154.6167171.2-121.8-171.2171178.10108
273P42.7Very low36.5Very low114 Ų114114.2 Ų114.274%0.7474%0.743SS**  cis-129.9-170.82.644.1-26000113.5
274P45.6Very low36.7Very low110 Ų110116 Ų11671%0.71474%0.743SS**  trans-103.1175.4-173.940.6-34.6000114.1
275P43.2Very low37Very low122 Ų122115.9 Ų115.979%0.79274%0.743SS**  trans-114.3172.3144.237.1-29.3000112.5
276A34.5Very low36.9Very low100 Ų100112 Ų11283%0.82674%0.738SS**  trans-75.5166.5178.700000113.1
277G29.4Very low36.8Very low72 Ų72113.6 Ų113.674%0.74274%0.738SS**  trans-77.4-146.717500000113.4
278P41.6Very low36.6Very low114 Ų114114 Ų11474%0.7474%0.74SS**  cis-142.1-162.135.428-0.5000114.1
279L31.8Very low36.4Very low102 Ų102113 Ų11353%0.53474%0.738SS.*  trans73.766154-45.9-175.5000120.3P425L279-P425 HydrophobicContact CB-CB 3.8Å; L279-P425 HydrophobicContact CB-CG 3.98Å; L279-P425 HydrophobicContact CD1-CG 4.04Å; L279-P425 HydrophobicContact CD2-CB 3.95Å; L279-P425 HydrophobicContact CD2-CG 3.64Å; L279-P425 HydrophobicContact CG-CB 4.3Å; L279-P425 HydrophobicContact CG-CG 4.02Å
280S32.3Very low35.7Very low66 Ų66114.4 Ų114.446%0.46274%0.739SS.*  41.9144111.4-107.80000121.9P425 G426S280-P425 WeakPolarHBondContact O-CA 3.3Å; S280-G426 CarbonylContact C-O 3.21Å; S280-G426 WeakPolarHBondContact CB-O 3.49Å; S280-G426 PolarHBondContact O-N 2.9Å; S280-G426 PolarHBondContact OG-O 3.4Å
281V33.7Very low36.8Very low110 Ų110110.8 Ų110.867%0.66773%0.725SS**  trans-174.7154154.5132.20000112.9S424 G426V281-S424 WeakPolarHBondContact CG2-O 3.12Å; V281-G426 PolarHBondContact N-O 3.4Å; V281-G426 VanDerWaalsContact N-O 3.11Å
282V38.6Very low36.8Very low90 Ų90114.1 Ų114.155%0.54572%0.721SS.*  trans-97.1142.9-176.3176.40000112.8
283P32.5Very low36.8Very low119 Ų119111.8 Ų111.877%0.77371%0.712SS**  trans-107.7121.3162.434.9-25.6000113.4
284T39.2Very low36.6Very low134 Ų134116.5 Ų116.582%0.82271%0.714SS**  trans-91.2136.7164-37.90000109.7
285P45.9Very low35.8Very low121 Ų121117.6 Ų117.679%0.78671%0.71SS**  trans-98149.4174.735.7-32.4000113.6
286G32.1Very low35.3Very low65 Ų65117.2 Ų117.267%0.6771%0.705SS**  trans112.495.3172.400000113.3
287I35.7Very low35.2Very low159 Ų159119.6 Ų119.682%0.81570%0.703SS**  65.494.369.8-56.5172.1000109.8
288V33.3Very low35.3Very low144 Ų144121.7 Ų121.787%0.87370%0.702SS**  6611779.9174.20000112.3
289G31.5Very low34.7Very low68 Ų68121.5 Ų121.570%0.70170%0.699SS**  cis-176.8168.2-3.900000115.1
290D31.9Very low34.8Very low155 Ų155126.8 Ų126.883%0.82972%0.718SS**  trans4.6152.1131.9-159.2-123.2000118.6
291P55.1Low34.6Very low93 Ų93127.6 Ų127.660%0.60474%0.737SS**  cis-120.2-156.16.916.911.1000112.5
292E30.5Very low34.5Very low139 Ų139126 Ų12665%0.6574%0.742SS**  cis-153.2143.813.9-17.5-16965.700118.3
293K33Very low34.7Very low151 Ų151128 Ų12866%0.65776%0.757SS**  trans44.5127.2136.880.2-151165.9-163.10125.1
294R37.6Very low35.1Very low212 Ų212127.9 Ų127.980%0.876%0.756SS**  trans75.3152.2139.1105.7177.3-63.5-139.6-1.5119.5
295E28.9Very low34.7Very low134 Ų134130.1 Ų130.163%0.62676%0.762SS**  cis-169.8153.1-18.1-116.3-177.4126.900110.9
296V33.2Very low33.8Very low113 Ų113128.6 Ų128.669%0.68576%0.76SS**  trans59.7109.8142.8177.50000121.5
297L31.9Very low33.9Very low150 Ų150133.1 Ų133.179%0.78577%0.768SS**  trans64106.7142.2-61.3173.1000123.4
298T30.5Very low33.7Very low117 Ų117132.2 Ų132.272%0.71876%0.76SS**  51.1120119.6-32.50000121.5
299T29.7Very low33.4Very low110 Ų110133.1 Ų133.168%0.67576%0.755SS**  164.1135114.7-70.20000114.8
300F34.2Very low33.6Very low212 Ų212135.1 Ų135.193%0.9376%0.758SS**  trans52.8132.1165.6-75.4-56000122.6
301G27.9Very low33.4Very low84 Ų84134.7 Ų134.787%0.86676%0.76SS**  trans113.4116.4158.200000115.9
302G32Very low32.1Very low76 Ų76133.8 Ų133.878%0.78477%0.769SS**  trans-115.1-165.1168.700000111.7
303P42.2Very low31.9Very low131 Ų131131.3 Ų131.385%0.85178%0.78SS**  cis-117.3179.42.341.8-28.8000113.8
304P42.1Very low31.5Very low117 Ų117127.8 Ų127.876%0.7679%0.786SS**  trans-105.1154.6-16538.5-34.1000116.8
305L30.7Very low31.1Very low181 Ų181124.1 Ų124.195%0.94879%0.787SS**  trans-150.598.6161.5-77.6-177.8000113
306A26.6Very low31.3Very low90 Ų90125.9 Ų125.974%0.74480%0.796SS**  trans-176.2136.4158.700000106.6
307L32.6Very low32Very low159 Ų159125.7 Ų125.783%0.83280%0.797SS**  cis68.8130.933.9-52.7-174.6000112.5
308H31.6Very low31.8Very low141 Ų141125.7 Ų125.765%0.65380%0.797SS**  cis-159.5173.114.7-154.2-95.5000112.3
309H28.4Very low32Very low162 Ų162125.9 Ų125.975%0.7580%0.798SS**  trans81.3110.1162.8-60.1-74.2000123.3
310S35.5Very low32Very low111 Ų111129.5 Ų129.578%0.77681%0.807SS**  79.4161.3126-1470000122.2
311V27.4Very low31.9Very low145 Ų145129 Ų12988%0.87980%0.799SS**  trans72.6142.4176.5-172.80000116.5
312G27.7Very low32Very low75 Ų75133 Ų13377%0.77379%0.792SS**  trans115.7119.8157.800000115.8
313G25.8Very low31.9Very low86 Ų86138.6 Ų138.689%0.88780%0.795SS**  trans-110.8161159.200000110.1
314G25.9Very low31.4Very low77 Ų77138.8 Ų138.879%0.79479%0.794SS**  trans170.394.6-179.100000115.1
315V29.3Very low30.7Very low135 Ų135136.2 Ų136.282%0.81879%0.789SS**  trans-17128.8163.4-77.50000120.2
316Q32.5Very low30.7Very low172 Ų172135.5 Ų135.580%0.80479%0.785SS**  trans68.2172.9136.8-62.4-76.116.400117.6
317P46.8Very low31.6Very low109 Ų109136.7 Ų136.771%0.70879%0.785SS**  cis-133.2-179.7-0.645.6-30.4000116.7
318L29.5Very low31.5Very low149 Ų149136.3 Ų136.378%0.7878%0.779SS**  trans7495.6140.2-147.570.4000122.5
319V33Very low31.4Very low122 Ų122133.6 Ų133.674%0.73978%0.776SS**  40.6120.2128.4-175.70000120.2
320Q31.3Very low31.4Very low186 Ų186133.7 Ų133.787%0.86978%0.777SS**  -149.4158.9129.8-118.1172.629.800114.3
321R30.9Very low30.9Very low202 Ų202131.9 Ų131.976%0.76278%0.775SS**  trans-79.3174.6175-61.9169.6170.4136.2-7.1108.7
322F30.5Very low31.4Very low167 Ų167129.5 Ų129.573%0.73276%0.763SS**  cis-161.7144.136.2-65.8-95.9000114
323K30.4Very low31.4Very low193 Ų193128.8 Ų128.884%0.83975%0.749SS**  41.9124.5125.1-161.4-170.2-176.6-1770121.3
324T31.4Very low31.4Very low135 Ų135127.9 Ų127.983%0.82872%0.722SS**  151.9137.5124-61.30000110.8
325G27.4Very low31.5Very low63 Ų63127.2 Ų127.265%0.64970%0.703SS**  cis160.2147.7-12.300000114.8
326L30.1Very low31.5Very low166 Ų166124.9 Ų124.987%0.86968%0.683SS**  trans63.2169.1169.3-94.163.2000118.2
327P45.2Very low31.2Very low115 Ų115122.8 Ų122.875%0.74768%0.682SS**  cis-97.1160.2-9.51.222.6000113.3
328H30.5Very low31.2Very low151 Ų151122.5 Ų122.570%0.69968%0.68SS**  66133.869.6-135.262.2000112.6
329S29.7Very low31.3Very low85 Ų85122.5 Ų122.559%0.59468%0.68SS**  cis-150151.230.8-44.20000115.5
330Q28.6Very low31.3Very low164 Ų164126.7 Ų126.777%0.76668%0.683SS**  trans49.1133136.1-61166.8-7300122.6
331G24.7Very low31.2Very low72 Ų72122 Ų12274%0.74268%0.676SS**  trans-82.2-131.8160.300000111.9
332P39.2Very low31.3Very low96 Ų96120.6 Ų120.662%0.62368%0.682SS**  cis-135-146.97.2209.6000113.4P123P123-P332 VanDerWaalsContact CD-CB 3.45Å
333A27.7Very low31.3Very low59 Ų59116.2 Ų116.249%0.48868%0.684SS.*  trans160.667.3170.900000123.4P123 D124 R125P123-A333 CarbonylContact O-C 3.34Å; P123-A333 WeakPolarHBondContact O-CA 3.24Å; P123-A333 WeakPolarHBondContact O-CB 3.32Å; P123-A333 PolarHBondContact O-N 2.72Å; D124-A333 WeakPolarHBondContact O-CB 3.26Å; R125-A333 VanDerWaalsContact N-C 3.27Å
334E24.8Very low31.3Very low67 Ų67112.1 Ų112.131%0.31368%0.68SS.*BIsolated β-bridgetrans-109.7173.9-167.3143.1-95.9-168.600122.5D122 P123 D124 R125D122-E334 WeakPolarHBondContact OD1-CB 3.4Å; D122-E334 WeakPolarHBondContact OD1-CG 3.41Å; P123-E334 WeakPolarHBondContact CA-OE2 2.89Å; P123-E334 WeakPolarHBondContact CB-OE2 3.06Å; P123-E334 PolarHBondContact O-N 3.38Å; D124-E334 CarbonylContact C-O 2.81Å; D124-E334 VanDerWaalsContact CA-O 3.23Å; D124-E334 WeakPolarHBondContact CA-O 3.42Å; D124-E334 WeakPolarHBondContact CA-OE2 3.05Å; D124-E334 PolarHBondContact N-OE2 2.99Å; R125-E334 WeakPolarHBondContact CA-O 3.33Å; R125-E334 WeakPolarHBondContact CG-O 3.32Å; R125-E334 PolarHBondContact N-O 3.04Å
335V28Very low31.5Very low63 Ų63114.1 Ų114.138%0.38268%0.684SS.*  trans64.6122.3173.7-135.70000120.1D124D124-V335 WeakPolarHBondContact OD1-CG2 3.38Å
336E28.6Very low31.8Very low87 Ų87115.6 Ų115.641%0.40768%0.684SS.*  164.3110.1107.2-99.5-172.2-178.400114.6R125 R126R125-E336 IonicContact CZ-OE1 3.25Å; R125-E336 VanDerWaalsContact CZ-OE1 3.25Å; R125-E336 IonicContact CZ-OE2 3.87Å; R125-E336 IonicContact NH1-OE1 2.74Å; R125-E336 PolarHBondContact NH1-OE1 3.49Å; R125-E336 IonicContact NH1-OE2 3.02Å; R125-E336 PolarHBondContact NH1-OE2 2.86Å; R125-E336 IonicContact NH2-OE1 2.95Å; R125-E336 PolarHBondContact NH2-OE1 3.23Å; R126-E336 HydrophobicContact CG-CB 4.2Å; R126-E336 IonicContact CZ-OE2 3.3Å; R126-E336 VanDerWaalsContact CZ-OE2 3.3Å; R126-E336 IonicContact NE-OE2 3.18Å; R126-E336 PolarHBondContact NE-OE2 2.93Å; R126-E336 IonicContact NH2-OE2 2.64Å; R126-E336 PolarHBondContact NH2-OE2 2.68Å
337T27.5Very low32.4Very low127 Ų127112.8 Ų112.878%0.77968%0.676SS**  trans-69.5175149.230.30000110.3
338P46.3Very low31.8Very low104 Ų104110.3 Ų110.368%0.67567%0.672SS**  cis-151.1-168.731.444.6-22.7000118.6
339L31Very low32.8Very low148 Ų148109.4 Ų109.478%0.77568%0.679SS**  trans75.5143.3159.3-70.4175000117.8
340R32.8Very low34.3Very low211 Ų211111.1 Ų111.180%0.79669%0.688SS**  cis-159.6129.31180-168.2-66.1-177.8-0.5112.4
341A29.6Very low34.3Very low87 Ų87108 Ų10872%0.71969%0.69SS**  trans50157.5153.100000120.3
342L33.4Very low34.6Very low172 Ų172115.1 Ų115.190%0.90170%0.696SS**  cis-145.2142.723.1-81.7164000112.3
343G29.7Very low34Very low75 Ų75115.9 Ų115.977%0.77370%0.704SS**  trans64.8160.5157.900000118.2
344S31.8Very low34.4Very low108 Ų108118.5 Ų118.576%0.75572%0.718SS**  cis-172142.6-25.641.60000108.6
345I34.8Very low35.5Very low176 Ų176121.2 Ų121.290%0.90374%0.742SS**  trans61.7145.1177.937.1-179.1000118.3
346S33.9Very low35.5Very low94 Ų94123.6 Ų123.666%0.65776%0.761SS**  trans-157163-167.1-174.70000105.4
347P43.8Very low35.8Very low107 Ų107126.1 Ų126.170%0.69578%0.777SS**  cis-121.6-17619.221.45000113.3
348G31.4Very low36.4Very low64 Ų64125.6 Ų125.666%0.6678%0.775SS**  cis121.4114.69.900000110.7
349P51.8Low35.4Very low131 Ų131124.9 Ų124.985%0.85177%0.772SS**  trans-100.7-140.3-164.740.4-34.9000115.3
350P60.3Low35.2Very low121 Ų121125.9 Ų125.979%0.78677%0.773SS**  -111.8167.9-121.941.6-27.3000116
351A30.5Very low34.8Very low98 Ų98124 Ų12481%0.8177%0.773SS**  trans-172.9147.1146.600000116
352Y29.8Very low35.4Very low223 Ų223124.6 Ų124.688%0.87577%0.769SS**  trans-3.8148.2153.1-81.5-94.4000125.6
353S27.5Very low35.1Very low111 Ų111121.2 Ų121.278%0.77676%0.76SS**  trans85.5139.2138.3-67.90000123.7
354S35.8Very low35.2Very low114 Ų114125.1 Ų125.180%0.79776%0.763SS**  trans-77.1-173.1169.2-22.20000111.7
355P47.6Very low35.3Very low124 Ų124124.3 Ų124.381%0.80576%0.762SS**  cis-139.5-175.517.144.5-26.2000116.4
356S28Very low35.9Very low113 Ų113121.2 Ų121.279%0.7975%0.753SS**  trans-179.5123.1141.953.10000112.9
357L34Very low36.5Very low141 Ų141122.8 Ų122.874%0.73876%0.762SS**  trans-95.6173.2149.1-74.3175000108.9
358P39.8Very low36.2Very low115 Ų115125 Ų12575%0.74777%0.767SS**  -14814610737-21.2000117
359C26.7Very low37Very low89 Ų89127.5 Ų127.560%0.60177%0.771SS**  trans49.2123.2133.3-51.50000123.9
360Q26.5Very low35.9Very low170 Ų170128.3 Ų128.379%0.79476%0.764SS**  66.6109123.5-60.7-176.227.700123.1
361E23.2Very low34.5Very low172 Ų172129.1 Ų129.180%0.80476%0.758SS**  68.4-170.4125.1-130.5-137148.700119.5
362P43.6Very low34.5Very low98 Ų98132.6 Ų132.664%0.63676%0.758SS**  -108.8-177.8-107.742.4-33.5000116.1
363S25.9Very low34.6Very low102 Ų102126.4 Ų126.471%0.71375%0.753SS**  trans118149135.5-146.30000119.8
364L33.3Very low34.7Very low157 Ų157126.4 Ų126.482%0.82275%0.748SS**  trans56.776.7152.1-73.2159.4000122.8
365A32.4Very low34.7Very low90 Ų90128.1 Ų128.174%0.74474%0.743SS**  64-166.4118.400000119.2
366P48.2Very low33.9Very low111 Ų111130 Ų13072%0.72174%0.741SS**  -125.1-172.3-122.837.2-15.1000115.3
367P45.7Very low34.1Very low128 Ų128133.6 Ų133.683%0.83174%0.743SS**  -138.6155.8103.537.7-26.6000116.5
368L37.8Very low34Very low154 Ų154133.6 Ų133.681%0.80674%0.742SS**  trans-88.9171.6170.4-97.8170000110.3
369P47.6Very low33.8Very low115 Ų115136.9 Ų136.975%0.74775%0.747SS**  cis-133.4-173.142.245.4-27.5000113.9
370H30.3Very low33.9Very low149 Ų149136.2 Ų136.269%0.6976%0.755SS**  cis-159.6132.919.5176.3-84.4000111.4
371M30.2Very low34.4Very low138 Ų138135.3 Ų135.368%0.6876%0.755SS**  trans41.6155.1165.4-57.1-174.874.700119.5
372E30.5Very low35.1Very low171 Ų171134.5 Ų134.580%0.79976%0.755SS**  cis-144.4-170.418.3-153.7147.1125.400112.1
373A31.6Very low35.4Very low93 Ų93135.1 Ų135.177%0.76976%0.759SS**  trans-91.8164.4-155.800000118.4
374T30Very low35.7Very low111 Ų111136 Ų13668%0.68177%0.765SS**  trans-72.3176.8175.444.80000113
375H36.3Very low35.5Very low150 Ų150132.2 Ų132.269%0.69476%0.764SS**  cis-153.5145.626.7-86.2-91000114.4
376H30.9Very low36.2Very low162 Ų162136.2 Ų136.275%0.7577%0.772SS**  trans64.4114.2131.9-67.543.1000124.8
377K32.5Very low36.2Very low190 Ų190136.7 Ų136.783%0.82678%0.775SS**  72.395.1119.2-158.6175.7-176.5179.60122.6
378L31.2Very low35.5Very low140 Ų140135.6 Ų135.673%0.73377%0.771SS**  40.3111127.8-93.1172.1000121.7
379H35.5Very low36Very low184 Ų184133 Ų13385%0.85276%0.764SS**  145.2149.9122.2-83.1-72.8000113.8
380G29.7Very low35.3Very low75 Ų75138.1 Ų138.177%0.77377%0.769SS**  trans111141.9166.600000115.4
381I35.8Very low35.3Very low151 Ų151136.9 Ų136.977%0.77477%0.772SS**  trans-139.3116.5-179.5-69.8-176.9000110.4
382L38.3Very low35.5Very low156 Ų156138.2 Ų138.282%0.81778%0.781SS**  trans64.9166158.2-65.6172.5000118.7
383P50.8Low35.4Very low111 Ų111134.3 Ų134.372%0.72178%0.778SS**  cis-126.1159.5-2.719.14.9000117.2
384S31.5Very low35.3Very low119 Ų119135.7 Ų135.783%0.83278%0.782SS**  trans44.2131.1140.1-53.10000123.4
385G29.7Very low35.6Very low79 Ų79137 Ų13781%0.81479%0.79SS**  trans148102.815100000116.6
386L45.3Very low36.2Very low173 Ų173135.4 Ų135.491%0.90679%0.793SS**  trans-89.9162.1161.2-76.7176.3000109.3
387P48.2Very low36.6Very low121 Ų121133.4 Ų133.479%0.78679%0.794SS**  cis-142.6-179.629.542-21.8000118.8
388S31.4Very low36.7Very low105 Ų105130.8 Ų130.873%0.73479%0.794SS**  trans-54.5170.7158.9-132.30000112.5
389P47.8Very low37.2Very low101 Ų101129.5 Ų129.566%0.65679%0.794SS**  cis-151.4-173.729.333.4-6.6000119.7
390Y33.2Very low37.7Very low222 Ų222126.6 Ų126.687%0.87179%0.791SS**  trans83.5163.6157.2-79.4-65.5000121.8
391T30.9Very low37.8Very low123 Ų123128.3 Ų128.376%0.75579%0.791SS**  trans-118.3173.1-160.930.80000112.9
392L33.7Very low37.8Very low165 Ų165128.2 Ų128.286%0.86480%0.798SS**  trans90.4110.4168.9-68.6165.1000119
393A29.4Very low37.9Very low89 Ų89128 Ų12874%0.73680%0.795SS**  74.7158.5126.800000122.1
394S28.6Very low37.7Very low122 Ų122128.5 Ų128.585%0.85380%0.798SS**  trans89.1150.1163.4-59.60000119.6
395V36.2Very low37.8Very low140 Ų140127.2 Ų127.285%0.84879%0.785SS**  trans-112.1154-167164.70000109
396P50.4Low38Very low115 Ų115132 Ų13275%0.74779%0.791SS**  trans-102172-151.439.4-37000115.8
397P39.3Very low37.2Very low120 Ų120127.1 Ų127.178%0.77978%0.782SS**  trans-123.8119.6166.436.2-21.8000116
398V34.1Very low36.4Very low135 Ų135126.2 Ų126.282%0.81879%0.785SS**  39.4126.1125.9-173.70000121.6
399P41Very low36.7Very low114 Ų114127 Ų12774%0.7479%0.788SS**  trans-89.5160.9158.137-33.3000113.5
400P47.3Very low36.1Very low122 Ų122129.2 Ų129.279%0.79280%0.799SS**  trans-92.3141.5-157.234.3-37.2000118.7
401S30.8Very low36Very low111 Ų111122.7 Ų122.778%0.77679%0.791SS**  trans31.6119.2140.2-56.10000123
402V36.2Very low36.6Very low150 Ų150123.3 Ų123.391%0.90980%0.797SS**  trans-137.3135.1135.5-176.10000108.9
403M39.9Very low36.5Very low152 Ų152119 Ų11975%0.74979%0.793SS**  trans-95.4167.1176-75.6-77-78.200110.2T405M403-T405 WeakPolarHBondContact CE-OG1 3.35Å
404P46Very low36.6Very low121 Ų121119.5 Ų119.579%0.78680%0.797SS**  cis-137-164.526.539.2-17.7000114.2
405T34.2Very low36.6Very low92 Ų92118.6 Ų118.656%0.56480%0.797SS**  cis-170.1148.2-42.4-78.90000108.9M403M403-T405 WeakPolarHBondContact CE-OG1 3.35Å
406L34.7Very low36.7Very low179 Ų179118.4 Ų118.494%0.93780%0.795SS**  trans69.1145.3173.1-75160.5000118.1
407G28.3Very low37.1Very low71 Ų71118.1 Ų118.173%0.73279%0.794SS**  trans176.8-36.4176.100000119
408A31.6Very low37.5Very low102 Ų102118.3 Ų118.384%0.84380%0.795SS**  trans67.1161.3-178.900000117.6
409P37.5Very low37.3Very low121 Ų121115.7 Ų115.779%0.78679%0.788SS**  trans-118.1166.2-171.741.9-31.7000115.2
410V35.6Very low36.9Very low147 Ų147117.2 Ų117.289%0.89180%0.795SS**  trans-171.1147.4137.7134.60000111.5
411A29.8Very low36.6Very low86 Ų86116.9 Ų116.971%0.71179%0.792SS**  trans-155-179.2169.400000107.1
412P43.9Very low36.7Very low135 Ų135116.4 Ų116.488%0.87779%0.789SS**  cis-135.4-176.2-2.643.2-27.1000114.8
413G31.1Very low36.5Very low75 Ų75115.1 Ų115.177%0.77378%0.777SS**  trans146.5157.4150.600000114.9
414A31.7Very low36.2Very low99 Ų99112 Ų11282%0.81877%0.77SS**  cis-171.2155.9-21.700000109.4
415A29.9Very low36.1Very low103 Ų103109.6 Ų109.685%0.85175%0.754SS**  trans66.8168.4168.800000118.4
416V37.5Very low36Very low136 Ų136105.8 Ų105.882%0.82473%0.733SS**  trans-143.8-164.6-155.4-145.80000111.8
417P59Low36.6Very low109 Ų109102 Ų10271%0.70872%0.719SS**  -106.9-170.6-122.445.8-29.9000114.4
418P46.5Very low37.1Very low124 Ų124103.9 Ų103.981%0.80572%0.719SS**  -141.4-162.282.940.6-21.5000111.6
419A29.9Very low37.5Very low81 Ų81105.3 Ų105.367%0.66972%0.72SS**  cis-156.2144.6500000113
420V34.3Very low37.2Very low146 Ų146104.8 Ų104.889%0.88572%0.719SS**  trans18.9161.9150.5-78.90000125.8
421P40.5Very low37.2Very low115 Ų115106 Ų10675%0.74772%0.719SS**  trans-129.9-172.6-156.446-30.6000117.2
422S32.4Very low37.4Very low101 Ų101107.2 Ų107.271%0.70672%0.723SS**  trans-152.7133.9156.5-132.90000108.3
423N32.5Very low37.3Very low122 Ų122106.5 Ų106.565%0.65272%0.718SS**  54.1131.369.4-55.9-53000112.3
424S34.1Very low37.2Very low86 Ų86107.7 Ų107.760%0.60172%0.72SS**  cis-163177.348.8-84.70000114.5V281V281-S424 WeakPolarHBondContact CG2-O 3.12Å
425P42.7Very low37.4Very low71 Ų71111.3 Ų111.346%0.46173%0.725SS.*  trans-115.3143.5-166.111.912.4000118.5L279 S280L279-P425 HydrophobicContact CB-CB 3.8Å; L279-P425 HydrophobicContact CB-CG 3.98Å; L279-P425 HydrophobicContact CD1-CG 4.04Å; L279-P425 HydrophobicContact CD2-CB 3.95Å; L279-P425 HydrophobicContact CD2-CG 3.64Å; L279-P425 HydrophobicContact CG-CB 4.3Å; L279-P425 HydrophobicContact CG-CG 4.02Å; S280-P425 WeakPolarHBondContact O-CA 3.3Å
426G33.3Very low37.6Very low12 Ų12109.4 Ų109.412%0.12472%0.715CS.*  trans-128.3147167.800000116.4S280 V281S280-G426 CarbonylContact C-O 3.21Å; S280-G426 WeakPolarHBondContact CB-O 3.49Å; S280-G426 PolarHBondContact O-N 2.9Å; S280-G426 PolarHBondContact OG-O 3.4Å; V281-G426 PolarHBondContact N-O 3.4Å; V281-G426 VanDerWaalsContact N-O 3.11Å
427P46.9Very low37.3Very low99 Ų99111.1 Ų111.164%0.64372%0.719SS**  trans-105.8178.4-1411.122.6000116.4
428P39.2Very low36Very low111 Ų111111 Ų11172%0.72172%0.721SS**  trans-73.2161.5171.932.2-36.6000113.5
429P38.8Very low35.5Very low133 Ų133109.4 Ų109.486%0.86472%0.718SS**  trans-75.8144.9-174.430.7-36.1000114
430S32.1Very low36.1Very low109 Ų109111.1 Ų111.176%0.76272%0.723SS**  trans-109.6154.7175.755.60000112.7
431L35.6Very low35.8Very low172 Ų172113.1 Ų113.190%0.90172%0.722SS**  trans-80.3141.3163.4-66.9167.3000109.4
432S32.5Very low35.5Very low112 Ų112113.4 Ų113.478%0.78372%0.717SS**  trans-160.3159165.7-86.80000112.8
433P43Very low35.3Very low121 Ų121115 Ų11579%0.78672%0.718SS**  trans-103.7-178.4-159.941-37.1000114.4
434A29.5Very low35.3Very low99 Ų99113.9 Ų113.982%0.81872%0.72SS**  trans-120.2123.317000000112.4
435L34.6Very low35.1Very low176 Ų176115 Ų11592%0.92173%0.734SS**  trans-132.8151.4161.1-61.8171.2000105.1
436G34.7Very low34.5Very low62 Ų62117 Ų11764%0.63975%0.75SS**  cis-178.2-134.13.700000107.8
437L32Very low34.4Very low172 Ų172126.7 Ų126.790%0.90178%0.784SS**  trans77.9139.6178-47.8169.5000115.2
438S31Very low33.4Very low106 Ų106127 Ų12774%0.74179%0.788SS**  cis-160.3153.6-15.1-99.60000110.8
439A36Very low32.8Very low92 Ų92128.9 Ų128.976%0.7679%0.792SS**  trans-93.8173.3164.500000111.3
440P42.2Very low32.5Very low117 Ų117127.7 Ų127.776%0.7679%0.788SS**  -136152.3119.337.9-29000115.7
441Q29.1Very low32.3Very low188 Ų188128.2 Ų128.288%0.87979%0.791SS**  trans3.1156.9147.1-65.4178.3-57.600121.1
442N33.6Very low32.2Very low120 Ų120125 Ų12564%0.64279%0.79SS**  cis175.6137.7-16.9166.673.5000107.2
443D27.9Very low32Very low134 Ų134125.4 Ų125.472%0.71779%0.792SS**  trans-177.1128.8133.8-108.3-42.2000117.1
444S32.3Very low31.3Very low100 Ų100126 Ų12670%0.69980%0.798SS**  28.7114.8128.4-49.50000122
445A30.3Very low31.4Very low109 Ų109124.8 Ų124.890%0.90180%0.795SS**  trans-173.3154.2130.700000113.7
446S30.9Very low31.2Very low112 Ų112122.4 Ų122.478%0.78379%0.793SS**  trans-108.2158.8-166.6-64.30000116.2
447Y29.6Very low31Very low217 Ų217123.8 Ų123.885%0.85180%0.798SS**  trans88.8130.2139.5-111-116.4000122.9
448S26.6Very low31.7Very low104 Ų104120.9 Ų120.973%0.72779%0.789SS**  trans65.4155.6157-64.20000118.4
449N26Very low31.8Very low151 Ų151122.1 Ų122.181%0.80779%0.793SS**  cis-143.4163.26.5-162.412.9000112.1
450S32.8Very low31.7Very low109 Ų109122 Ų12276%0.76279%0.791SS**  trans-79.1136.4174.2-51.90000112.8
451S28.5Very low31.6Very low120 Ų120122.7 Ų122.784%0.83980%0.796SS**  trans-165.2143.914851.80000111.8
452A33.6Very low31.6Very low105 Ų105117.5 Ų117.587%0.86879%0.793SS**  trans-92.8145.8166.700000109.8
453S27Very low31.7Very low119 Ų119119.5 Ų119.583%0.83280%0.804SS**  trans-153.1121.5162.7-166.50000110.6
454C30Very low32.3Very low134 Ų134118.7 Ų118.791%0.90581%0.805SS**  trans-103.2126.4162.646.80000107.6
455G29.8Very low32.4Very low73 Ų73120.2 Ų120.275%0.75381%0.811SS**  trans-178.753.3-166.200000117
456S30.5Very low32.4Very low127 Ų127119.3 Ų119.389%0.88880%0.803SS**  trans-83.8139.4154.7-59.20000107.9
457A32Very low32.5Very low90 Ų90119.5 Ų119.574%0.74480%0.799SS**  cis-162.6-158-4.100000105.9
458P46.5Very low32.7Very low111 Ų111115.9 Ų115.972%0.72179%0.79SS**  cis-142.5-169.9-4.546.1-27000116.1
459V32.3Very low33.3Very low133 Ų133118.3 Ų118.381%0.80679%0.79SS**  trans5995.2159.8-175.30000117.4
460A34.5Very low33.6Very low89 Ų89115 Ų11574%0.73678%0.775SS**  93.3179.78100000113.9
461P40.3Very low33.8Very low132 Ų132115 Ų11586%0.85776%0.763SS**  -124.6162-87.938.4-24.6000115.5
462G29.5Very low34.4Very low79 Ų79113.7 Ų113.781%0.81474%0.744SS**  trans-168.7140.7172.400000115.1
463N33.8Very low34.6Very low162 Ų162114.3 Ų114.387%0.86673%0.729SS**  trans-86.1152.3178.2-91.6-34.2000112.8
464P41.9Very low34.9Very low116 Ų116116.8 Ų116.875%0.75373%0.729SS**  trans-99.1128.6167.335.4-28.7000112.7
465V33.9Very low35.7Very low133 Ų133114.5 Ų114.581%0.80671%0.713SS**  trans-144.2105.1166.6179.50000110.7
466A31.3Very low37.2Very low90 Ų90115.9 Ų115.974%0.74471%0.708SS**  trans59.4165.9147.300000119
467V31.3Very low37.2Very low115 Ų115114.1 Ų114.170%0.69769%0.686SS**  cis-163146.9-22.9111.30000110
468Q35.3Very low37.6Very low142 Ų142115.4 Ų115.466%0.66468%0.677SS**  trans58.9128157.5-71.4176.460.500123.6
469Q39Very low37.3Very low155 Ų155116 Ų11672%0.72467%0.67SS**  72.4157.2125.6-64.7177.319.400120.5
470T32.8Very low37.4Very low82 Ų82115.6 Ų115.650%0.50367%0.668SS.*  cis-127-14815.6-41.80000113.1D141 R142D141-T470 CarbonylContact C-O 3.44Å; D141-T470 CarbonylContact O-C 3.21Å; R142-T470 WeakPolarHBondContact CB-O 3.36Å
471Q36.8Very low38.2Very low107 Ų107116.7 Ų116.750%0.567%0.667SS.*  trans-95.2134.3-157-73.7174.854.600125.6D141 R142D141-Q471 CarbonylContact O-C 3.32Å; D141-Q471 WeakPolarHBondContact O-CA 3.35Å; D141-Q471 PolarHBondContact O-N 3.03Å; R142-Q471 VanDerWaalsContact CB-N 3.34Å; R142-Q471 WeakPolarHBondContact CB-O 3.42Å; R142-Q471 WeakPolarHBondContact CD-O 3.4Å; R142-Q471 WeakPolarHBondContact CG-O 3.43Å
472Q39.6Very low38.8Very low94 Ų94115.8 Ų115.844%0.43966%0.662SS.*BIsolated β-bridgetrans71.8153.7145.3-60.1-179.812300120.1D141D141-Q472 VanDerWaalsContact C-N 3.32Å; D141-Q472 PolarHBondContact O-N 3.21Å
473Q38.1Very low38.8Very low117 Ų117119.1 Ų119.155%0.54766%0.66SS.*  cis-172.2162.8-12.2-111.6169.36.600113.6D141D141-Q473 PolarHBondContact OD1-N 3.29Å
474M33.7Very low38.9Very low171 Ų171118.7 Ų118.784%0.84265%0.653SS**  trans78.8152.4150.6-81-130.5-103.300122.4
475P47.8Very low38.6Very low87 Ų87122 Ų12257%0.56566%0.658SS**  trans-135.8-132.8-142.332.3-5.1000114.9R150R150-P475 PolarHBondContact NH2-O 2.84Å
476P61Low38.8Very low101 Ų101123.5 Ų123.566%0.65666%0.656SS**  -118.6165.9-85.334-19000114.6R150R150-P476 PolarHBondContact NH1-O 3.03Å
477Q30.1Very low39Very low90 Ų90128.3 Ų128.342%0.42166%0.663SS.*  trans-178158.6158.5-105-149.62.500108.5R150 G151R150-Q477 HydrophobicContact CG-CB 4.02Å; R150-Q477 HydrophobicContact CG-CG 4.42Å; G151-Q477 VanDerWaalsContact N-OE1 3.16Å
478Q39.1Very low39.4Very low117 Ų117128 Ų12855%0.54766%0.664SS.*  cis-175.7154.4-26.8-126.2-176.338.500107.4
479Q41.5Very low39.6Very low125 Ų125127.2 Ų127.258%0.58467%0.671SS**  trans65.3157156.9-64.5173.4-20.400115.6
480T34.1Very low39.9Very low123 Ų123126.7 Ų126.776%0.75568%0.678SS**  cis-155.9166.8-11.912.60000109.3
481P51.4Low40.1Very low112 Ų112126.1 Ų126.173%0.72769%0.688SS**  trans-78.3-174.9172.238.7-37.3000111
482P53.2Low40.3Very low114 Ų114126 Ų12674%0.7470%0.699SS**  cis-150.8-142.129.146-21.8000116.7
483L29Very low40.8Very low148 Ų148125.9 Ų125.978%0.77572%0.722SS**  trans78.8123-173.7-59.2169.4000114.2
484Q36.9Very low41.5Very low154 Ų154124.5 Ų124.572%0.7273%0.731SS**  cis94.491.730.7-170.9-165.4100.700114
485Q35.6Very low42.1Very low184 Ų184120.9 Ų120.986%0.8672%0.721SS**  trans-156.1126.1132.5-72.6-149.191.800105.5
486Q38.3Very low42.3Very low165 Ų165121 Ų12177%0.77174%0.738SS**  62.784.257.7-68.8-146.770.200114.8
487Q34.3Very low41.8Very low192 Ų192120.7 Ų120.790%0.89774%0.737SS**  trans-159.6165.7134.8-108.5-177.5-0.600109.6
488P40.2Very low42.2Very low108 Ų108125.1 Ų125.170%0.70176%0.757SS**PPolyproline II helixtrans-83.6154.2-146.431.8-38.4000115.7
489P39.2Very low42.2Very low125 Ų125127.1 Ų127.181%0.81277%0.772SS**PPolyproline II helixtrans-68136.4168.529.5-33.8000111.5
490V45.4Very low42.3Very low144 Ų144128.1 Ų128.187%0.87378%0.782SS**PPolyproline II helixtrans-58.1144.1169.5175.50000110.2
491G37.8Very low42.7Very low70 Ų70128.2 Ų128.272%0.72279%0.786SS**PPolyproline II helixtrans-59.3140.9-177.400000113.7G493G491-G493 PolarHBondContact O-N 3.18Å
492C39.8Very low41.9Very low106 Ų106126 Ų12672%0.71678%0.783SS**  trans-75.8107.7-177.1-171.60000111.8A494C492-A494 PolarHBondContact O-N 3.01Å
493G50.5Low41.3Very low90 Ų90128 Ų12893%0.92879%0.787SS**THydrogen-bonded Turntrans-72.361.917100000113.1G491G491-G493 PolarHBondContact O-N 3.18Å
494A52.5Low41.8Very low89 Ų89132.2 Ų132.274%0.73679%0.793SS**THydrogen-bonded Turntrans-140.2-8.617700000114.7C492C492-A494 PolarHBondContact O-N 3.01Å
495C46.2Very low41.7Very low95 Ų95128.8 Ų128.864%0.64280%0.799SS**  trans-133125.516561.60000110.7C497C495-C497 PolarHBondContact O-N 3.35Å
496G52.4Low41.8Very low89 Ų89125.9 Ų125.992%0.91880%0.799SS**  trans-77.938.9-176.200000114.3
497C50.3Low41.6Very low95 Ų95121.3 Ų121.364%0.64280%0.796SS**  trans-132.277.5-171.5-620000111.7C495C495-C497 PolarHBondContact O-N 3.35Å
498H37.8Very low41.6Very low182 Ų182117.9 Ų117.984%0.84379%0.793SS**  trans-123.5143.2163.3-118.4-135.8000109.3
499N39.9Very low41.4Very low159 Ų159117.3 Ų117.385%0.8580%0.798SS**SBendtrans69.7108.5-168.1-61.5-13.2000116.1
500N42.9Very low41.3Very low147 Ų147118.4 Ų118.479%0.78680%0.802SS**  trans78.364.5160.2-153.6-2.4000119.8G502N500-G502 VanDerWaalsContact C-N 3.32Å; N500-G502 PolarHBondContact O-N 3.49Å; N500-G502 WeakPolarHBondContact OD1-CA 3.5Å; N500-G502 PolarHBondContact OD1-N 2.87Å; N500-G502 VanDerWaalsContact OD1-N 3.09Å
501C42.7Very low40.7Very low125 Ų125115.3 Ų115.385%0.84580%0.799SS**  trans-85.673.8147.2-65.60000110.2N503C501-N503 PolarHBondContact O-N 2.98Å
502G36.1Very low40.4Very low64 Ų64115.9 Ų115.966%0.6681%0.805SS**  trans-68.980.9-179.400000113.6N500N500-G502 VanDerWaalsContact C-N 3.32Å; N500-G502 PolarHBondContact O-N 3.49Å; N500-G502 WeakPolarHBondContact OD1-CA 3.5Å; N500-G502 PolarHBondContact OD1-N 2.87Å; N500-G502 VanDerWaalsContact OD1-N 3.09Å
503N39.3Very low40.1Very low156 Ų156117 Ų11783%0.83481%0.814SS**  trans-69.1147.3177.2-165.515.7000112C501 G505C501-N503 PolarHBondContact O-N 2.98Å; N503-G505 PolarHBondContact O-N 3.5Å; N503-G505 VanDerWaalsContact O-N 3.12Å
504R39.6Very low39.3Very low237 Ų237118.2 Ų118.289%0.89481%0.809SS**  trans-73.3103.2-172.8-66.3178.3179.8-120.6-0.2111.5S506R504-S506 PolarHBondContact O-N 3.1Å
505G34.3Very low38.5Very low82 Ų82119.3 Ų119.385%0.84581%0.81SS**  trans-68.992.1172.400000112.8N503N503-G505 PolarHBondContact O-N 3.5Å; N503-G505 VanDerWaalsContact O-N 3.12Å
506S38.4Very low37.7Very low123 Ų123120.5 Ų120.586%0.8682%0.818SS**  trans-86.3101.4158.1-167.70000108.5R504 S508R504-S506 PolarHBondContact O-N 3.1Å; S506-S508 PolarHBondContact O-N 3.1Å
507G33.3Very low36.7Very low70 Ų70124.6 Ų124.672%0.72281%0.814SS**  trans-81.7114.5-17500000113
508S34.2Very low36.3Very low119 Ų119125.2 Ų125.283%0.83282%0.817SS**  trans-138.6119.7153.2-168.60000108.6S506S506-S508 PolarHBondContact O-N 3.1Å
509A37.6Very low37.2Very low96 Ų96121.9 Ų121.979%0.79381%0.811SS**  trans-144.688-173.200000111.1
510V37.4Very low36.9Very low148 Ų148120.9 Ų120.990%0.89781%0.805SS**  trans-169.8138.1153.7-930000105.6
511G31.6Very low36.3Very low80 Ų80123.5 Ų123.583%0.82581%0.805SS**  cis170.8140.4-6.600000107.6
512G32.3Very low35.7Very low81 Ų81126.1 Ų126.184%0.83580%0.803SS**  trans164.665.1-174.400000116.3S514G512-S514 PolarHBondContact O-N 2.93Å
513S33.5Very low35.4Very low130 Ų130130.2 Ų130.291%0.90980%0.804SS**  trans-74.3113.9156.852.70000109
514S33.4Very low35.2Very low116 Ų116129.1 Ų129.181%0.81179%0.794SS**  trans-137.2117.1166.4-168.90000110.6G512G512-S514 PolarHBondContact O-N 2.93Å
515S35.1Very low34.9Very low111 Ų111123.9 Ų123.978%0.77678%0.78SS**  trans-84136-179.650.80000111.6Q517S515-Q517 PolarHBondContact O-N 3.32Å
516C29.4Very low35Very low120 Ų120127 Ų12781%0.81177%0.774SS**  trans-78.8108.9170.9-56.80000111
517Q32Very low34.9Very low176 Ų176125.7 Ų125.782%0.82277%0.77SS**  trans-147.8158.1146.4-83-48.4-74.800109.5S515S515-Q517 PolarHBondContact O-N 3.32Å
518P42.6Very low35Very low108 Ų108126.4 Ų126.470%0.70177%0.769SS**  trans-114.1-157.4-149.447.9-38.5000113.2
519P55.9Low35Very low112 Ų112127.7 Ų127.773%0.72777%0.772SS**  -94.4178-129.341.2-26.6000114.7
520L32.5Very low34.8Very low137 Ų137126.7 Ų126.772%0.71776%0.764SS**  trans178.4153.3133.9-98.8172.7000114.2
521Y30.6Very low34.9Very low203 Ų203131 Ų13180%0.79676%0.764SS**  trans64-176.7163.7-64.5-59.6000120.6
522F31.3Very low35.1Very low180 Ų180135.2 Ų135.279%0.78976%0.762SS**  -146.3148.1-125-129.5-82.1000115
523H29.6Very low35.1Very low150 Ų150138.4 Ų138.469%0.69476%0.757SS**  trans78.3154146.7-118.3-16.8000123.7
524H34Very low35.1Very low132 Ų132141 Ų14161%0.61175%0.752SS**  trans73.1144.1157.2-81.357.3000118.8
525Q33.5Very low34.8Very low127 Ų127140 Ų14059%0.59375%0.745SS**  cis-165.8168.3-14.7-134.9-168.530.300111.6
526M37.7Very low34.7Very low149 Ų149141.1 Ų141.173%0.73475%0.747SS**  trans54.4115.2154.1-58.4-73.4-178.600119.6
527A35.2Very low35.7Very low94 Ų94140.3 Ų140.378%0.77774%0.741SS**  88.8158.481.300000113.6
528A35.2Very low35.7Very low85 Ų85140.1 Ų140.170%0.70274%0.74SS**  cis-156.4-179.89.400000112.6
529V35.1Very low35.5Very low146 Ų146139.4 Ų139.489%0.88574%0.737SS**  trans71.4142.9155166.90000118.2
530A33.8Very low34.6Very low76 Ų76140.6 Ų140.663%0.62874%0.737SS**  cis-170.5-178.7-27.700000109.8
531R38.6Very low34.5Very low237 Ų237141.2 Ų141.289%0.89474%0.74SS**  trans75.9115.8175.9-44.5173.198.2143.63.2112.6
532Q36.3Very low34.6Very low169 Ų169141.3 Ų141.379%0.7974%0.741SS**  cis67.2140.341.1-51.6-68.9-12.600112.1
533M32.9Very low34.7Very low149 Ų149140.7 Ų140.773%0.73475%0.745SS**  cis-154.2169.937.5-33-163.377.300114.6
534F33.3Very low34.8Very low184 Ų184137.6 Ų137.681%0.80775%0.745SS**  trans62.5144.1171.9-64.2-81.3000116.9
535S27.3Very low34.7Very low94 Ų94139.8 Ų139.866%0.65776%0.755SS**  cis137.1118.6-2.6-820000106
536V32.8Very low34.5Very low135 Ų135139.1 Ų139.182%0.81876%0.76SS**  81.6130.850172.30000112
537P50.3Low34.2Very low104 Ų104141.3 Ų141.368%0.67577%0.769SS**  cis-145.1-157.7-26.137-13.4000114.4
538Q32.3Very low34.3Very low171 Ų171141 Ų14180%0.79977%0.765SS**  trans98.8129.2151.3-56.1-118.86.100122
539S37.8Very low34.6Very low93 Ų93142.1 Ų142.165%0.6577%0.766SS**  trans-75.6164.716250.80000114
540L36.6Very low34.5Very low138 Ų138143.5 Ų143.572%0.72376%0.762SS**  174.9154.6113.7-97.1178000114.9
541L31Very low34.3Very low149 Ų149146.8 Ų146.878%0.7877%0.765SS**  trans61.6134.6160.6-60.1161.4000117.8
542Y32.4Very low33.9Very low206 Ų206139.5 Ų139.581%0.80876%0.755SS**  cis93.510029.1-161.8-73000114.3
543L33.7Very low33.7Very low167 Ų167138.5 Ų138.587%0.87476%0.755SS**  trans-159173.9140.1-138.182.9000110.8
544A32Very low33.6Very low84 Ų84135 Ų13569%0.69476%0.757SS**  trans-136.1-166.4177.800000110.4
545Q30.8Very low34.2Very low178 Ų178132.4 Ų132.483%0.83276%0.759SS**  trans91.686.4152.3-156.51647.600119.9
546T29.3Very low35.1Very low114 Ų114133.6 Ų133.670%0.69976%0.764SS**  43.6137.1127.565.40000123.8
547Q30.9Very low35.3Very low195 Ų195134 Ų13491%0.91177%0.767SS**  trans105.9144.8136-153.9156.6-13.700118.2
548A38.8Very low34.6Very low86 Ų86137.2 Ų137.271%0.71178%0.775SS**  trans-97.3178.6-171.200000113
549P41.6Very low35.1Very low110 Ų110134.1 Ų134.171%0.71477%0.77SS**  -148.6158.4114.838.7-23.1000117.5
550H32Very low35.8Very low175 Ų175134.4 Ų134.481%0.8177%0.769SS**  16.2159126.2-52-56.2000121.6
551Q30Very low35.6Very low145 Ų145136.6 Ų136.668%0.67877%0.774SS**  cis-174.2155.8-6.4-107-7832.900110.1
552A29.3Very low35.9Very low84 Ų84139.2 Ų139.269%0.69478%0.779SS**  trans-176.4120.2152.900000109.1
553N32.4Very low36Very low148 Ų148134.8 Ų134.879%0.79178%0.775SS**  71.8125.750-62.4-20.4000113.5
554G31.8Very low35.8Very low74 Ų74131.1 Ų131.176%0.76377%0.769SS**  cis-154.4-143.6-1.700000109.4
555P45.1Very low36.2Very low131 Ų131132.1 Ų132.185%0.85178%0.777SS**  cis-122.9-174.9-3.841.5-25000113.7
556P45.9Very low37Very low118 Ų118129 Ų12977%0.76677%0.773SS**  trans-126157.5-160.741.6-29.5000118.8
557T37.1Very low38Very low145 Ų145128.9 Ų128.989%0.8977%0.774SS**  trans-155.1163.2150.5-7.50000112.2
558M35.2Very low38.4Very low171 Ų171125.4 Ų125.484%0.84277%0.768SS**  trans-132.9-167.3177.7-64.5-125.2-60.500110.5
559P43.1Very low38.1Very low106 Ų106127.5 Ų127.569%0.68877%0.772SS**  -119.6-146-84.842.4-25.8000109.4
560P52.1Low37.6Very low98 Ų98130 Ų13064%0.63677%0.774SS**  cis-101.9-154.5-46.940.3-27000109.4
561F31.9Very low37.7Very low185 Ų185127.4 Ų127.481%0.81177%0.773SS**  165.2131127.5-94.8-67.7000112.7
562F38Very low37.9Very low203 Ų203124.9 Ų124.989%0.8977%0.771SS**  trans-88.3141.5146.1-82.3-83.6000108.2
563P35.5Very low38.4Very low113 Ų113125.6 Ų125.673%0.73477%0.768SS**  -142.4166.912738.1-26.3000112.5
564A28.4Very low38.2Very low91 Ų91128.3 Ų128.375%0.75277%0.769SS**  cis-168.9149.2-29.200000107
565A41.6Very low38Very low104 Ų104131.3 Ų131.386%0.8677%0.767SS**  trans-103.2134172.100000110.9
566P47.8Very low37.2Very low114 Ų114132.8 Ų132.874%0.7476%0.762SS**  trans-141.6162.5155.538.8-25000114
567P50.2Low36.1Very low111 Ų111131.4 Ų131.472%0.72176%0.755SS**  cis-130.6178.2-38.542.3-28000110.7
568P38.3Very low35.7Very low121 Ų121132.7 Ų132.779%0.78675%0.751SS**  -137.7124.983.631.3-14.3000114.7
569V32.2Very low35.4Very low131 Ų131129 Ų12979%0.79474%0.742SS**  trans28.9101.8144.7-164.80000118.5
570H32.4Very low34.7Very low162 Ų162133 Ų13375%0.7575%0.752SS**  trans-68.8151.1154.1-94-80.8000110.7
571P34.1Very low33.6Very low121 Ų121131.7 Ų131.779%0.78675%0.748SS**  -135.6137.68736.6-24.5000115
572S33.7Very low33.5Very low91 Ų91132.2 Ų132.264%0.63675%0.753SS**  trans-96.2159.9142.8-46.20000107
573P40Very low33.4Very low100 Ų100125.9 Ų125.965%0.64975%0.745SS**  -155.917487.641.6-23.1000117.5
574Y27.6Very low34Very low204 Ų204126.2 Ų126.280%0.875%0.747SS**  trans83.8115.1147-68.1-42.4000123.4
575L27.8Very low34.2Very low138 Ų138126.9 Ų126.972%0.72375%0.747SS**  90.1119.4124-69.7172.5000121.9
576H28Very low34.2Very low161 Ų161130.5 Ų130.575%0.74575%0.746SS**  trans62.2107.1131.7-86.161.7000121.4
577S22.8Very low33.7Very low89 Ų89132.7 Ų132.762%0.62275%0.748SS**  71.6144.8110.9-54.60000122.5
578H29.2Very low33.2Very low172 Ų172136.6 Ų136.680%0.79676%0.759SS**  trans74.7108.8154.5-68.7-51.4000120.8
579S28Very low32.8Very low94 Ų94133.9 Ų133.966%0.65775%0.753SS**  66.5128.8112.6-53.40000121.1
580Q29.3Very low32.9Very low191 Ų191133.4 Ų133.489%0.89376%0.755SS**  trans68.5162.5154.9-51.3-921800114.6
581A29Very low33.1Very low69 Ų69134.7 Ų134.757%0.5776%0.762SS**  cis-165.6-174.7-3400000108.7
582E29.8Very low33Very low196 Ų196133.5 Ų133.592%0.91676%0.762SS**  trans70.5156.7161.4-54.5-172.6113.300118.3
583G34.9Very low33.5Very low70 Ų70134.6 Ų134.672%0.72277%0.767SS**  trans-102.3-140.2162.900000109.5
584P49.3Very low32.9Very low120 Ų120136.6 Ų136.678%0.77978%0.777SS**  cis-129.3-1708.142.2-25.9000114.1
585S31.6Very low33.2Very low106 Ų106131.1 Ų131.174%0.74177%0.774SS**  trans-54.1135.217652.60000115.3
586H42.1Very low33.6Very low179 Ų179131.8 Ų131.883%0.82978%0.783SS**  trans-124.5178.1148.561.5-86000109.5
587M37.8Very low33.9Very low160 Ų160128.9 Ų128.979%0.78879%0.787SS**  trans-143.5156-146.359.2-163.17300115
588M38.3Very low34.3Very low194 Ų194129.5 Ų129.596%0.95680%0.798SS**  trans75.7138.5169.7-136.970-175.400117.6
589G30.7Very low34.6Very low64 Ų64125.6 Ų125.666%0.6680%0.796SS**  trans124.348.9139.900000122.5
590S34.7Very low34.8Very low121 Ų121128.7 Ų128.785%0.84681%0.805SS**  trans75148.5145.3-53.80000121.9
591Q35.6Very low35Very low188 Ų188129.8 Ų129.888%0.87980%0.802SS**  trans73.286.4166.8-55.2-158.628.400120
592A32.1Very low35Very low96 Ų96131.3 Ų131.379%0.79381%0.809SS**  61.6162.512400000121.5
593P43.8Very low35.4Very low115 Ų115129.1 Ų129.175%0.74780%0.803SS**  cis-128.2164.5-44.537.4-25.2000112
594V29.5Very low35.5Very low142 Ų142132.9 Ų132.986%0.86180%0.801SS**  trans-173.3144.5144133.60000111.6
595A32.9Very low35Very low89 Ų89133.9 Ų133.974%0.73680%0.796SS**  trans24.9116163.400000121.5
596V35.8Very low35.3Very low151 Ų151136 Ų13692%0.91579%0.794SS**  -132.7133.9112.4179.80000107.5
597A35.1Very low35Very low100 Ų100135.9 Ų135.983%0.82680%0.796SS**  trans-90.1137.7176.700000111.3
598A30.8Very low34.7Very low102 Ų102132.8 Ų132.884%0.84380%0.795SS**  trans-120.4154.4169.800000109.9
599A35.8Very low35.2Very low91 Ų91129.6 Ų129.675%0.75279%0.789SS**  trans-70.7155.3-168.200000114.4
600N32.6Very low35.2Very low159 Ų159130.7 Ų130.785%0.8579%0.792SS**  trans-161177.7132.8-114.1-68.4000113.7
601Y32.1Very low35.1Very low213 Ų213129.4 Ų129.484%0.83579%0.789SS**  trans-93.7164.2-161.1-83.3-106.2000116.8
602S30.1Very low34.9Very low102 Ų102125.5 Ų125.571%0.71378%0.782SS**  trans98.8139.1137.377.50000121.5
603L37Very low34.9Very low150 Ų150130.8 Ų130.879%0.78579%0.788SS**  trans51.1128.2142.4-83.2162.6000118.8
604Q37.4Very low35Very low148 Ų148130.5 Ų130.569%0.69279%0.786SS**  cis-178.2134.840.2-176.5159.963.200113.3
605Q39.2Very low35.1Very low142 Ų142132.9 Ų132.966%0.66479%0.788SS**  trans60134.9151.1-75.2-171.310400124.7
606Q37.7Very low35.4Very low150 Ų150139.4 Ų139.470%0.70179%0.793SS**  trans70.1144.4148.3-62.1166.526.700117.2
607M35.8Very low35.3Very low177 Ų177137.3 Ų137.387%0.87278%0.781SS**  cis-122.2165.911.8-37.585.5-155.900114.1
608A32.7Very low35.2Very low94 Ų94143.3 Ų143.378%0.77778%0.783SS**  trans-99.1179.8169.100000109.6
609P47.1Very low35.3Very low127 Ų127146 Ų14683%0.82578%0.779SS**  cis-125.6-171.617.244.1-25.7000113.3
610A31.5Very low35.3Very low88 Ų88147.5 Ų147.573%0.72778%0.781SS**  cis-155.1172.42100000114.7
611A33.4Very low35.4Very low94 Ų94144.7 Ų144.778%0.77777%0.769SS**  trans63.5139.1166.900000118.8
612S30.2Very low35.3Very low106 Ų106144.7 Ų144.774%0.74177%0.769SS**  cis-171.7120.4-30.242.10000108.4
613F31.8Very low36Very low206 Ų206145.1 Ų145.190%0.90477%0.769SS**  trans-134167.7169-82.5-82.8000107.4
614P47.2Very low35.6Very low109 Ų109140.9 Ų140.971%0.70876%0.762SS**  cis-129.51783.541.1-26.4000113.9
615Q30.8Very low35.4Very low193 Ų193142.8 Ų142.890%0.90277%0.77SS**  -169.7160.7114.6-104.4175.39.300112.8
616R39.1Very low35.6Very low225 Ų225144.4 Ų144.485%0.84978%0.783SS**  trans-125.5157.7175.5-160.3-109.2-102.4-166.7-3107.6
617V34.8Very low35.3Very low108 Ų108141 Ų14166%0.65579%0.788SS**  trans77.4108-178.7-168.90000114.8
618Y31.3Very low35.6Very low225 Ų225141.3 Ų141.388%0.88279%0.789SS**  -162142.9115.9-114.6-77.7000110.9
619Q33.2Very low36.1Very low160 Ų160144.1 Ų144.175%0.74879%0.791SS**  trans-109.4135.8169.5-87.8-92.987.400108.5
620P37Very low35.7Very low121 Ų121143.6 Ų143.679%0.78679%0.787SS**  trans-96.4130.6166.733.6-28.8000112
621V33.4Very low36.1Very low100 Ų100144.6 Ų144.661%0.60680%0.795SS**  trans-150.7128.8-178.7170.40000105.8
622Y29.7Very low36.6Very low213 Ų213144.4 Ų144.484%0.83579%0.794SS**  cis-147.8-149.43.6-140.1-147.2000106.2
623P45Very low37.3Very low111 Ų111146.5 Ų146.572%0.72180%0.795SS**  cis-131.6170.4-18.738.1-21.9000114.9
624G28.9Very low37.6Very low61 Ų61144.9 Ų144.963%0.62980%0.795SS**  trans78.6153.1155.600000117
625H34.1Very low37Very low188 Ų188143.2 Ų143.287%0.8780%0.798SS**  cis-134.4171.7-2.1-80.8-107.1000110.7
626L41.9Very low37.5Very low177 Ų177138.1 Ų138.193%0.92780%0.797SS**  trans65.964.6171-54.9179.7000116.9
627G32.8Very low37.4Very low79 Ų79131 Ų13181%0.81479%0.794SS**  trans-90.7124.2157.600000111.7
628M40.9Very low37.6Very low182 Ų182129.2 Ų129.290%0.89780%0.797SS**  trans-110116.8162.2-96.5-92.27300108.9
629L43.3Very low38.4Very low154 Ų154125.7 Ų125.781%0.80680%0.799SS**  trans-77.8148.3-179.2-76.3168.1000111.8A631L629-A631 PolarHBondContact O-N 3.31Å
630P39.8Very low38.8Very low115 Ų115123.6 Ų123.675%0.74779%0.793SS**  trans-65.1117169.2-17.831.3000111.1A632P630-A632 VanDerWaalsContact C-N 3.34Å; P630-A632 PolarHBondContact O-N 3.04Å
631A39.2Very low39.4Very low109 Ų109127.8 Ų127.890%0.90180%0.799SS**  trans-70.686.9172.700000110.5L629L629-A631 PolarHBondContact O-N 3.31Å
632A43.6Very low40.2Very low91 Ų91130 Ų13075%0.75280%0.8SS**  trans-109.511.3-174.900000114.3P630P630-A632 VanDerWaalsContact C-N 3.34Å; P630-A632 PolarHBondContact O-N 3.04Å
633I44.3Very low41.2Very low149 Ų149127.8 Ų127.876%0.76480%0.803SS**SBendtrans-133.4146.1168.7-61-176.8000107.8
634L39.8Very low41.6Very low172 Ų172125.5 Ų125.590%0.90180%0.799SS**SBendtrans81.2114.9-171-53.1176.2000116.1
635G33.2Very low43.2Very low75 Ų75127.5 Ų127.577%0.77380%0.799SS**  trans89.420.1138.100000120.2G637G635-G637 VanDerWaalsContact C-N 3.29Å; G635-G637 PolarHBondContact O-N 3.37Å
636G41.1Very low45.4Very low85 Ų85122 Ų12288%0.87678%0.779SS**  trans-66.771.4178.500000115.8G638G636-G638 PolarHBondContact O-N 3.5Å
637G37.1Very low47.6Very low76 Ų76116.5 Ų116.578%0.78476%0.755SS**  trans-68.4113.5174.700000112.4G635G635-G637 VanDerWaalsContact C-N 3.29Å; G635-G637 PolarHBondContact O-N 3.37Å
638G39.7Very low50.5Low70 Ų70112.8 Ų112.872%0.72272%0.716SS**  trans-74.7145.5-16800000115.9G636 N640G636-G638 PolarHBondContact O-N 3.5Å; G638-N640 PolarHBondContact O-N 3.01Å
639V49.1Very low52.8Low151 Ų151114.5 Ų114.592%0.91572%0.715SS**  trans-64.998.7176.2-169.80000110.9K641V639-K641 PolarHBondContact O-N 3.44Å
640N39.9Very low55Low117 Ų117108.7 Ų108.763%0.62668%0.684SS**  trans-84.3108.1178.7-153.8-59.1000110.9G638 K642G638-N640 PolarHBondContact O-N 3.01Å; N640-K642 PolarHBondContact O-N 3.22Å; N640-K642 VanDerWaalsContact OD1-CG 3.24Å; N640-K642 WeakPolarHBondContact OD1-CG 3.49Å
641K51.5Low57.5Low208 Ų208105.4 Ų105.490%0.90466%0.664SS**THydrogen-bonded Turntrans-81.157.9-175-162.6-178.3176.5179.10112.8V639V639-K641 PolarHBondContact O-N 3.44Å
642K48.5Very low59.9Low147 Ų147102.9 Ų102.964%0.63965%0.648SS**THydrogen-bonded Turntrans-157.7115.7162.745.2163.5-174.8173.20109.2N640 G644N640-K642 PolarHBondContact O-N 3.22Å; N640-K642 VanDerWaalsContact OD1-CG 3.24Å; N640-K642 WeakPolarHBondContact OD1-CG 3.49Å; K642-G644 PolarHBondContact O-N 3.18Å
643N50.9Low62Low167 Ų167102.7 Ų102.789%0.89364%0.637SS**THydrogen-bonded Turntrans36.119.5161.553.94.4000121.1
644G54Low64Low62 Ų6299.8 Ų99.864%0.63962%0.623SS**PPolyproline II helixtrans-69132.4169.200000111K642 V646K642-G644 PolarHBondContact O-N 3.18Å; G644-V646 PolarHBondContact O-N 3.49Å
645T63.2Low66.3Low103 Ų10394.8 Ų94.863%0.63261%0.613SS**PPolyproline II helixtrans-54.4126.7170.519.90000110.1S647 N654T645-S647 PolarHBondContact O-N 3.24Å; T645-N654 HydrophobicContact CG2-CB 4.25Å; T645-N654 PolarHBondContact OG1-ND2 3Å
646V80.6Confident69.1Low73 Ų7393.7 Ų93.744%0.44259%0.588SS.*PPolyproline II helixtrans-73.1117.3172.863.30000109.1G644 N654 G655 F657G644-V646 PolarHBondContact O-N 3.49Å; V646-N654 WeakPolarHBondContact O-CA 2.99Å; V646-G655 PolarHBondContact O-N 2.75Å; V646-F657 HydrophobicContact CG2-CD2 4.02Å; V646-F657 HydrophobicContact CG2-CE2 4.37Å
647S88.1Confident71.4Confident61 Ų6194.8 Ų94.843%0.42757%0.568SS.*BIsolated β-bridgetrans-77.2133.5165.746.60000109.3T645 Y649 N654T645-S647 PolarHBondContact O-N 3.24Å; S647-Y649 PolarHBondContact O-N 2.95Å; S647-N654 WeakPolarHBondContact CA-OD1 3.18Å; S647-N654 WeakPolarHBondContact CB-OD1 2.91Å; S647-N654 PolarHBondContact N-OD1 3.27Å
648C93.3Very high74Confident1 Ų193.2 Ų93.21%0.00755%0.548CS..PPolyproline II helixtrans-66.4121.6172.7173.70000109.6N650 C651 G652 V653 H656 C661C648-N650 PolarHBondContact O-N 3.17Å; C648-N650 VanDerWaalsContact O-N 3.12Å; C648-C651 PolarHBondContact O-N 3.17Å; C648-C651 VanDerWaalsContact SG-SG 3.6Å; C648-G652 VanDerWaalsContact O-CA 3.32Å; C648-G652 WeakPolarHBondContact O-CA 3.14Å; C648-G652 PolarHBondContact O-N 3.3Å; C648-V653 WeakPolarHBondContact CB-O 3.12Å; C648-V653 PolarHBondContact N-O 3.08Å; C648-H656 WeakPolarHBondContact CB-NE2 3.37Å; C648-H656 PolarHBondContact SG-NE2 2.88Å; C648-C661 VanDerWaalsContact SG-CB 3.53Å
649Y87.6Confident76.2Confident219 Ų21998 Ų9886%0.85955%0.551SS**THydrogen-bonded Turntrans-65.4-15.7-177.6-131.7-88.3000114S647S647-Y649 PolarHBondContact O-N 2.95Å
650N90.4Very high78Confident31 Ų3195.9 Ų95.917%0.16654%0.535CS..THydrogen-bonded Turntrans-90.1-32.1179.8-168.534.7000113.6C648 C661 Q663 P664 S665 M666C648-N650 PolarHBondContact O-N 3.17Å; C648-N650 VanDerWaalsContact O-N 3.12Å; N650-C661 HydrophobicContact CB-CB 4.31Å; N650-Q663 PolarHBondContact ND2-O 2.8Å; N650-P664 PolarHBondContact ND2-O 2.71Å; N650-P664 PolarHBondContact OD1-O 3.45Å; N650-S665 WeakPolarHBondContact OD1-CA 3.03Å; N650-M666 WeakPolarHBondContact O-CG 3.4Å; N650-M666 PolarHBondContact OD1-N 3.12Å
651C92Very high80.6Confident47 Ų4791.1 Ų91.132%0.31851%0.511SS..THydrogen-bonded Turntrans-130.50-174.570.80000114.9C648 V653 H656 Q663C648-C651 PolarHBondContact O-N 3.17Å; C648-C651 VanDerWaalsContact SG-SG 3.6Å; C651-V653 PolarHBondContact O-N 3.42Å; C651-V653 VanDerWaalsContact O-N 3.09Å; C651-H656 PolarHBondContact SG-CE1 2.78Å; C651-H656 PolarHBondContact SG-NE2 3.09Å; C651-H656 VanDerWaalsContact SG-NE2 3.44Å; C651-Q663 HydrophobicContact CB-CG 4.2Å
652G89.4Confident82.4Confident55 Ų5589.2 Ų89.257%0.56751%0.511SS*.  trans75-16.1-179.800000115.8C648C648-G652 VanDerWaalsContact O-CA 3.32Å; C648-G652 WeakPolarHBondContact O-CA 3.14Å; C648-G652 PolarHBondContact O-N 3.3Å
653V87.9Confident84.1Confident87 Ų8788 Ų8853%0.52751%0.508SS..  trans-73.2134.9-174.1-1760000111.6C648 C651C648-V653 WeakPolarHBondContact CB-O 3.12Å; C648-V653 PolarHBondContact N-O 3.08Å; C651-V653 PolarHBondContact O-N 3.42Å; C651-V653 VanDerWaalsContact O-N 3.09Å
654N86.4Confident85.5Confident89 Ų8985 Ų8548%0.47650%0.497SS..BIsolated β-bridgetrans-71.8143.3174.8-73-19.9000112.1T645 V646 S647T645-N654 HydrophobicContact CG2-CB 4.25Å; T645-N654 PolarHBondContact OG1-ND2 3Å; V646-N654 WeakPolarHBondContact O-CA 2.99Å; S647-N654 WeakPolarHBondContact CA-OD1 3.18Å; S647-N654 WeakPolarHBondContact CB-OD1 2.91Å; S647-N654 PolarHBondContact N-OD1 3.27Å
655G88.8Confident86.3Confident66 Ų6686.6 Ų86.668%0.6850%0.498SS*.THydrogen-bonded Turntrans108.93165.700000116.6V646V646-G655 PolarHBondContact O-N 2.75Å
656H91Very high86.5Confident53 Ų5387.9 Ų87.925%0.24550%0.499CS..SBendtrans-142156.2166.465.5-78.8000110.1C648 C651 D660 C661C648-H656 WeakPolarHBondContact CB-NE2 3.37Å; C648-H656 PolarHBondContact SG-NE2 2.88Å; C651-H656 PolarHBondContact SG-CE1 2.78Å; C651-H656 PolarHBondContact SG-NE2 3.09Å; C651-H656 VanDerWaalsContact SG-NE2 3.44Å; H656-D660 HydrophobicContact CB-CB 4.29Å; H656-C661 PolarHBondContact NE2-SG 3.2Å; H656-C661 VanDerWaalsContact NE2-SG 3.43Å
657F89.5Confident85.3Confident107 Ų10789.5 Ų89.547%0.46951%0.505SS..  trans-84.8164.2175.9-160.6-114000110.5V646 Q659 D660V646-F657 HydrophobicContact CG2-CD2 4.02Å; V646-F657 HydrophobicContact CG2-CE2 4.37Å; F657-Q659 HydrophobicContact CD1-CB 4.11Å; F657-Q659 HydrophobicContact CD1-CG 3.87Å; F657-Q659 HydrophobicContact CE1-CG 4.15Å; F657-Q659 PolarHBondContact O-N 3.1Å; F657-Q659 VanDerWaalsContact O-N 3.09Å; F657-D660 VanDerWaalsContact CB-OD2 3.32Å; F657-D660 WeakPolarHBondContact CB-OD2 3.48Å; F657-D660 PolarHBondContact N-OD2 3.25Å; F657-D660 PolarHBondContact O-N 3.41Å
658A91.2Very high83.7Confident43 Ų4392.6 Ų92.636%0.35553%0.527SS..G310 helixtrans-62.1-18.9179.800000113.7
659Q87.4Confident81.6Confident170 Ų17098 Ų9879%0.79456%0.56SS**G310 helixtrans-79-23.6175.7-66.5172.8-1.700113F657F657-Q659 HydrophobicContact CD1-CB 4.11Å; F657-Q659 HydrophobicContact CD1-CG 3.87Å; F657-Q659 HydrophobicContact CE1-CG 4.15Å; F657-Q659 PolarHBondContact O-N 3.1Å; F657-Q659 VanDerWaalsContact O-N 3.09Å
660D87.1Confident79.7Confident107 Ų10793.9 Ų93.957%0.57255%0.548SS*.G310 helixtrans-98.812.2-179.9-45-74.1000111.9H656 F657H656-D660 HydrophobicContact CB-CB 4.29Å; F657-D660 VanDerWaalsContact CB-OD2 3.32Å; F657-D660 WeakPolarHBondContact CB-OD2 3.48Å; F657-D660 PolarHBondContact N-OD2 3.25Å; F657-D660 PolarHBondContact O-N 3.41Å
661C93.8Very high77.5Confident18 Ų1898.9 Ų98.912%0.12258%0.582CS.*  trans-89.2110.5-172.5-170.20000111.7C648 N650 H656 Q663C648-C661 VanDerWaalsContact SG-CB 3.53Å; N650-C661 HydrophobicContact CB-CB 4.31Å; H656-C661 PolarHBondContact NE2-SG 3.2Å; H656-C661 VanDerWaalsContact NE2-SG 3.43Å; C661-Q663 PolarHBondContact O-N 3.43Å
662N89.6Confident75.3Confident168 Ų16898.7 Ų98.790%0.89859%0.589SS**  trans-74.93.8177.4-69-32.4000114.7
663Q83.6Confident73.5Confident122 Ų12299.8 Ų99.857%0.5760%0.6SS**SBendtrans-81.7144.8168.8-68.4-63.5-43.700109.6N650 C651 C661N650-Q663 PolarHBondContact ND2-O 2.8Å; C651-Q663 HydrophobicContact CB-CG 4.2Å; C661-Q663 PolarHBondContact O-N 3.43Å
664P80.9Confident71.5Confident102 Ų102101.7 Ų101.766%0.66260%0.601SS**PPolyproline II helixtrans-55.2147.4170.926.4-34.5000109.9N650 M666N650-P664 PolarHBondContact ND2-O 2.71Å; N650-P664 PolarHBondContact OD1-O 3.45Å; P664-M666 PolarHBondContact O-N 2.98Å
665S71.4Confident69.5Low97 Ų97107.9 Ų107.968%0.67862%0.618SS**PPolyproline II helixtrans-62.9119.2178.451.70000110.2N650 D667N650-S665 WeakPolarHBondContact OD1-CA 3.03Å; S665-D667 PolarHBondContact O-N 3.28Å
666M67.1Low67.6Low130 Ų130110.2 Ų110.264%0.6462%0.618SS**  trans-58.2105.8170.8-76.1-76-74.200108.9N650 P664 S668N650-M666 WeakPolarHBondContact O-CG 3.4Å; N650-M666 PolarHBondContact OD1-N 3.12Å; P664-M666 PolarHBondContact O-N 2.98Å; M666-S668 PolarHBondContact O-N 3.48Å
667D55Low65.2Low107 Ų107114.4 Ų114.457%0.57264%0.643SS**  trans-74.5114.6-174.8-164.5-58.2000110.5S665 T669S665-D667 PolarHBondContact O-N 3.28Å; D667-T669 PolarHBondContact O-N 2.56Å; D667-T669 WeakPolarHBondContact OD1-CB 2.99Å; D667-T669 PolarHBondContact OD1-N 2.7Å; D667-T669 PolarHBondContact OD1-OG1 3.06Å
668S54.8Low62.8Low126 Ų126117.8 Ų117.888%0.88166%0.657SS**THydrogen-bonded Turntrans-660.8-175.9-56.90000114.8M666M666-S668 PolarHBondContact O-N 3.48Å
669T49.9Very low59.9Low114 Ų114119.9 Ų119.970%0.69968%0.675SS**THydrogen-bonded Turntrans-89.53.2-172.9-39.20000113.7D667 P671D667-T669 PolarHBondContact O-N 2.56Å; D667-T669 WeakPolarHBondContact OD1-CB 2.99Å; D667-T669 PolarHBondContact OD1-N 2.7Å; D667-T669 PolarHBondContact OD1-OG1 3.06Å; T669-P671 WeakPolarHBondContact O-CD 3.23Å
670Q45.7Very low57.3Low133 Ų133116.4 Ų116.462%0.62168%0.675SS**  trans-98.5102.3179.6-75.2-76.6-7.800112.3G672 F674Q670-G672 PolarHBondContact O-N 3.46Å; Q670-F674 HydrophobicContact CB-CE1 4.29Å; Q670-F674 HydrophobicContact CB-CZ 3.59Å; Q670-F674 WeakPolarHBondContact O-CZ 3.35Å
671P46Very low54.8Low135 Ų135116.2 Ų116.288%0.87768%0.682SS**  trans-7761.3172.634-36.9000111T669T669-P671 WeakPolarHBondContact O-CD 3.23Å
672G45.7Very low52.5Low44 Ų44121 Ų12145%0.45472%0.716SS.*SBendtrans-128.418.3-158.200000117.1Q670 F674Q670-G672 PolarHBondContact O-N 3.46Å; G672-F674 PolarHBondContact O-N 3.38Å
673G51Low50.1Low77 Ų77120.7 Ų120.779%0.79471%0.712SS**  trans62.742.2160.400000117.6R675G673-R675 PolarHBondContact O-N 2.95Å
674F45.8Very low47.7Very low128 Ų128120.2 Ų120.256%0.56172%0.723SS**  trans-73.4124.3175.8-15.8-68.5000110.8Q670 G672 V676Q670-F674 HydrophobicContact CB-CE1 4.29Å; Q670-F674 HydrophobicContact CB-CZ 3.59Å; Q670-F674 WeakPolarHBondContact O-CZ 3.35Å; G672-F674 PolarHBondContact O-N 3.38Å; F674-V676 PolarHBondContact O-N 2.64Å
675R44.3Very low45.5Very low219 Ų219124.8 Ų124.883%0.82674%0.735SS**  trans-64.3121.9164-73.4170163.5-97.1-2108.2G673 N677G673-R675 PolarHBondContact O-N 2.95Å; R675-N677 VanDerWaalsContact C-N 3.29Å; R675-N677 PolarHBondContact O-N 3.02Å
676V48.3Very low43.7Very low114 Ų114125.2 Ų125.269%0.69175%0.745SS**  trans-64.699.4159.8-178.50000106F674 F678F674-V676 PolarHBondContact O-N 2.64Å; V676-F678 HydrophobicContact CB-CD2 4.17Å; V676-F678 HydrophobicContact CB-CE2 3.99Å; V676-F678 HydrophobicContact CG1-CD2 3.74Å; V676-F678 HydrophobicContact CG1-CE2 3.56Å; V676-F678 HydrophobicContact CG1-CG 4.4Å; V676-F678 HydrophobicContact CG1-CZ 4.08Å; V676-F678 WeakPolarHBondContact O-CD2 3.16Å; V676-F678 PolarHBondContact O-N 3.18Å
677N41.7Very low42.6Very low141 Ų141126.9 Ų126.975%0.75476%0.755SS**  trans-70.781.4171-88.810000108.2R675 A679R675-N677 VanDerWaalsContact C-N 3.29Å; R675-N677 PolarHBondContact O-N 3.02Å; N677-A679 PolarHBondContact O-N 2.95Å
678F38.1Very low41.8Very low178 Ų178128.2 Ų128.278%0.78176%0.763SS**  trans-55.994.7151-70-85.6000106.9V676 A680V676-F678 HydrophobicContact CB-CD2 4.17Å; V676-F678 HydrophobicContact CB-CE2 3.99Å; V676-F678 HydrophobicContact CG1-CD2 3.74Å; V676-F678 HydrophobicContact CG1-CE2 3.56Å; V676-F678 HydrophobicContact CG1-CG 4.4Å; V676-F678 HydrophobicContact CG1-CZ 4.08Å; V676-F678 WeakPolarHBondContact O-CD2 3.16Å; V676-F678 PolarHBondContact O-N 3.18Å; F678-A680 PolarHBondContact O-N 2.74Å; F678-A680 VanDerWaalsContact O-N 3.08Å
679A30.3Very low40.7Very low88 Ų88130 Ų13073%0.72776%0.762SS**  trans-55.5115.915800000105.8N677 S681N677-A679 PolarHBondContact O-N 2.95Å; A679-S681 VanDerWaalsContact C-N 3.27Å; A679-S681 PolarHBondContact O-N 3.45Å
680A33.2Very low40.2Very low96 Ų96128.1 Ų128.179%0.79376%0.758SS**  trans-70.788.1-177.100000108.9F678 S682F678-A680 PolarHBondContact O-N 2.74Å; F678-A680 VanDerWaalsContact O-N 3.08Å; A680-S682 PolarHBondContact O-N 3.32Å
681S35.6Very low39.8Very low103 Ų103130.8 Ų130.872%0.7278%0.777SS**  trans-52.2115.2163.7-65.70000107.5A679 I683A679-S681 VanDerWaalsContact C-N 3.27Å; A679-S681 PolarHBondContact O-N 3.45Å; S681-I683 PolarHBondContact O-N 2.81Å
682S43.8Very low39.5Very low119 Ų119130.6 Ų130.683%0.83277%0.772SS**  trans-67.895.1-169.552.20000111.3A680A680-S682 PolarHBondContact O-N 3.32Å
683I39.3Very low39.2Very low161 Ų161135.1 Ų135.183%0.82679%0.788SS**  trans-130.961170.553.9163.1000110.8S681S681-I683 PolarHBondContact O-N 2.81Å
684S33.8Very low38.5Very low112 Ų112138.3 Ų138.378%0.78379%0.788SS**  trans-90.8165.7151.9-62.40000109
685E34.4Very low38.1Very low198 Ų198138.9 Ų138.993%0.92580%0.802SS**  trans67.775.2175.8-56-171.192.200116.7
686A34.9Very low37.7Very low106 Ų106133.9 Ų133.988%0.87680%0.8SS**  trans-164.574.3133.200000109.9
687L43.9Very low37Very low166 Ų166135.3 Ų135.387%0.86981%0.807SS**  trans-88.6129.7161-103.6172.9000108.9
688D36.8Very low36.7Very low135 Ų135134.9 Ų134.972%0.72281%0.811SS**  trans42.893.2137.7-155-121.7000117.8
689N32.5Very low36.5Very low162 Ų162131.5 Ų131.587%0.86681%0.813SS**  trans-145.1144.5134.2-87.2-106000105.9
690A39.6Very low37.1Very low76 Ų76135.2 Ų135.263%0.62882%0.821SS**  cis-176.4162.8-25.500000105.4
691D37.1Very low37.4Very low188 Ų188138.7 Ų138.7100%1.00582%0.823SS**  trans68.60170.8-139.9-134.5000117.2

Retrieved 691 of 691 residues in 92.9 ms (Link to these results)