A0A087YN43_POEFO Loading...

Rho GTPase activating protein 31

AlphaFold DB , UniProt , Accession A0A087YN43, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,093 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
1M59.8Low74.6Confident213 Ų21384.6 Ų84.6100%1.04941%0.407SS*.  0157.40-75.5-63.8-146.700108.8
2H82.8Confident74Confident98 Ų9881.4 Ų81.445%0.45440%0.398SS..  trans-83.7136.9165.5-179.340.8000108.8R4 N5 L6H2-R4 VanDerWaalsContact C-N 3.34Å; H2-R4 PolarHBondContact O-N 3.37Å; H2-N5 HydrophobicContact CB-CB 4.48Å; H2-N5 WeakPolarHBondContact O-CA 3.13Å; H2-N5 WeakPolarHBondContact O-CB 3.38Å; H2-N5 PolarHBondContact O-N 2.93Å; H2-L6 PolarHBondContact O-N 3.18Å; H2-L6 VanDerWaalsContact O-N 3.15Å
3T75.7Confident74Confident43 Ų4383.4 Ų83.426%0.26441%0.411SS..Hα-helixtrans-56-43.8-175.249.40000112.7N5 L6 A7 F52T3-N5 VanDerWaalsContact C-N 3.29Å; T3-N5 PolarHBondContact O-N 2.55Å; T3-L6 WeakPolarHBondContact O-CB 3.44Å; T3-L6 PolarHBondContact O-N 3.16Å; T3-A7 PolarHBondContact O-N 3.03Å; T3-F52 HydrophobicContact CG2-CB 3.56Å; T3-F52 HydrophobicContact CG2-CD2 3.54Å; T3-F52 HydrophobicContact CG2-CE2 4.44Å; T3-F52 HydrophobicContact CG2-CG 3.73Å
4R76.1Confident73.5Confident138 Ų13885.6 Ų85.652%0.52143%0.425SS..Hα-helixtrans-57.2-36.4172.2166.4174.8-71.7146.2-1.5113.6H2 L6 L8 L45H2-R4 VanDerWaalsContact C-N 3.34Å; H2-R4 PolarHBondContact O-N 3.37Å; R4-L6 VanDerWaalsContact C-N 3.34Å; R4-L8 HydrophobicContact CG-CD1 4.04Å; R4-L8 WeakPolarHBondContact O-CD1 3.4Å; R4-L8 VanDerWaalsContact O-CG 3.27Å; R4-L8 WeakPolarHBondContact O-CG 3.46Å; R4-L8 PolarHBondContact O-N 3.36Å; R4-L8 VanDerWaalsContact O-N 3.16Å; R4-L45 HydrophobicContact CB-CD2 3.71Å; R4-L45 HydrophobicContact CG-CD2 3.66Å
5N79.3Confident73Confident86 Ų8682.5 Ų82.546%0.4641%0.41SS..Hα-helixtrans-73.3-30.6177.3-62.121.2000111.3H2 T3 V9H2-N5 HydrophobicContact CB-CB 4.48Å; H2-N5 WeakPolarHBondContact O-CA 3.13Å; H2-N5 WeakPolarHBondContact O-CB 3.38Å; H2-N5 PolarHBondContact O-N 2.93Å; T3-N5 VanDerWaalsContact C-N 3.29Å; T3-N5 PolarHBondContact O-N 2.55Å; N5-V9 VanDerWaalsContact O-CG2 3.27Å; N5-V9 WeakPolarHBondContact O-CG2 3.4Å; N5-V9 PolarHBondContact O-N 3.3Å
6L75.6Confident72.8Confident40 Ų4086.1 Ų86.121%0.20942%0.417CS..Hα-helixtrans-70.3-47174.4-165.265.1000110.4H2 T3 R4 L8 V9 W10 F52H2-L6 PolarHBondContact O-N 3.18Å; H2-L6 VanDerWaalsContact O-N 3.15Å; T3-L6 WeakPolarHBondContact O-CB 3.44Å; T3-L6 PolarHBondContact O-N 3.16Å; R4-L6 VanDerWaalsContact C-N 3.34Å; L6-L8 PolarHBondContact O-N 2.85Å; L6-V9 PolarHBondContact O-N 3.16Å; L6-V9 VanDerWaalsContact O-N 3.13Å; L6-W10 HydrophobicContact CD1-CD2 3.99Å; L6-W10 HydrophobicContact CD1-CG 4.26Å; L6-W10 HydrophobicContact CD1-CZ2 3.93Å; L6-W10 HydrophobicContact CD2-CD2 4.41Å; L6-W10 HydrophobicContact CD2-CE3 4.35Å; L6-W10 HydrophobicContact CD2-CH2 4.18Å; L6-W10 HydrophobicContact CD2-CZ2 4.23Å; L6-W10 HydrophobicContact CD2-CZ3 4.24Å; L6-W10 HydrophobicContact CG-CD2 3.87Å; L6-W10 HydrophobicContact CG-CE3 4.21Å; L6-W10 HydrophobicContact CG-CG 4.24Å; L6-W10 HydrophobicContact CG-CZ2 4.29Å; L6-W10 WeakPolarHBondContact O-CB 3.17Å; L6-W10 PolarHBondContact O-N 2.9Å; L6-F52 HydrophobicContact CD2-CE1 3.69Å; L6-F52 HydrophobicContact CD2-CZ 3.87Å
7A74Confident72.2Confident1 Ų183.6 Ų83.61%0.00841%0.411CS..Hα-helixtrans-52.9-50.117600000112.8T3 V9 W10 A11 I44 L45T3-A7 PolarHBondContact O-N 3.03Å; A7-V9 VanDerWaalsContact C-N 3.28Å; A7-V9 PolarHBondContact O-N 3.3Å; A7-W10 PolarHBondContact O-N 2.78Å; A7-A11 WeakPolarHBondContact O-CB 3.07Å; A7-A11 PolarHBondContact O-N 3.43Å; A7-I44 HydrophobicContact CB-CB 4.01Å; A7-I44 HydrophobicContact CB-CG2 3.48Å; A7-I44 VanDerWaalsContact CB-CG2 3.48Å; A7-L45 HydrophobicContact CB-CD2 3.8Å; A7-L45 HydrophobicContact CB-CG 4.24Å
8L75.9Confident71.8Confident89 Ų8988.2 Ų88.247%0.46643%0.428SS..Hα-helixtrans-66.7-24.8-179.6-70.1168.7000113.9R4 L6 P12 I41R4-L8 HydrophobicContact CG-CD1 4.04Å; R4-L8 WeakPolarHBondContact O-CD1 3.4Å; R4-L8 VanDerWaalsContact O-CG 3.27Å; R4-L8 WeakPolarHBondContact O-CG 3.46Å; R4-L8 PolarHBondContact O-N 3.36Å; R4-L8 VanDerWaalsContact O-N 3.16Å; L6-L8 PolarHBondContact O-N 2.85Å; L8-P12 WeakPolarHBondContact O-CD 3.26Å; L8-I41 HydrophobicContact CD2-CG2 3.96Å
9V76.1Confident71.2Confident89 Ų8989.6 Ų89.654%0.53944%0.438SS..Hα-helixtrans-91.6-30.2177.1172.40000111.5N5 L6 A7 N13N5-V9 VanDerWaalsContact O-CG2 3.27Å; N5-V9 WeakPolarHBondContact O-CG2 3.4Å; N5-V9 PolarHBondContact O-N 3.3Å; L6-V9 PolarHBondContact O-N 3.16Å; L6-V9 VanDerWaalsContact O-N 3.13Å; A7-V9 VanDerWaalsContact C-N 3.28Å; A7-V9 PolarHBondContact O-N 3.3Å; V9-N13 PolarHBondContact O-ND2 3.34Å
10W73.9Confident70.7Confident134 Ų13487.8 Ų87.851%0.50843%0.43SS..Hα-helixtrans-84.8-48.2-177.4-80.59.3000113.3L6 A7 N13 L14L6-W10 HydrophobicContact CD1-CD2 3.99Å; L6-W10 HydrophobicContact CD1-CG 4.26Å; L6-W10 HydrophobicContact CD1-CZ2 3.93Å; L6-W10 HydrophobicContact CD2-CD2 4.41Å; L6-W10 HydrophobicContact CD2-CE3 4.35Å; L6-W10 HydrophobicContact CD2-CH2 4.18Å; L6-W10 HydrophobicContact CD2-CZ2 4.23Å; L6-W10 HydrophobicContact CD2-CZ3 4.24Å; L6-W10 HydrophobicContact CG-CD2 3.87Å; L6-W10 HydrophobicContact CG-CE3 4.21Å; L6-W10 HydrophobicContact CG-CG 4.24Å; L6-W10 HydrophobicContact CG-CZ2 4.29Å; L6-W10 WeakPolarHBondContact O-CB 3.17Å; L6-W10 PolarHBondContact O-N 2.9Å; A7-W10 PolarHBondContact O-N 2.78Å; W10-N13 CarbonylContact O-C 3.55Å; W10-N13 WeakPolarHBondContact O-CA 3.21Å; W10-N13 PolarHBondContact O-N 3.47Å; W10-L14 HydrophobicContact CB-CD1 4.06Å; W10-L14 HydrophobicContact CB-CG 4.44Å; W10-L14 WeakPolarHBondContact O-CG 3.36Å; W10-L14 PolarHBondContact O-N 2.86Å
11A71.3Confident70.3Confident0 Ų089 Ų890%044%0.435CS..Hα-helixtrans-58.1-41.1-172.500000114.6A7 N13 L15 V40 I41 I44A7-A11 WeakPolarHBondContact O-CB 3.07Å; A7-A11 PolarHBondContact O-N 3.43Å; A11-N13 PolarHBondContact O-N 2.93Å; A11-L15 PolarHBondContact O-N 3.39Å; A11-V40 HydrophobicContact CB-CG1 3.94Å; A11-I41 HydrophobicContact CB-CB 4.42Å; A11-I41 HydrophobicContact CB-CG1 3.46Å; A11-I41 VanDerWaalsContact CB-CG1 3.46Å; A11-I44 HydrophobicContact CB-CD1 4.33Å
12P67.2Low70.2Confident46 Ų4684 Ų8430%0.29942%0.416SS..Hα-helixtrans-68.5-18.1174.2-19.833.7000114.4L8 I41L8-P12 WeakPolarHBondContact O-CD 3.26Å; P12-I41 HydrophobicContact CG-CD1 4.49Å
13N73.9Confident68.9Low107 Ų10781.6 Ų81.657%0.57241%0.41SS*.Hα-helixtrans-95.9-31.9178.1-75.6-61.2000112.5V9 W10 A11 L15V9-N13 PolarHBondContact O-ND2 3.34Å; W10-N13 CarbonylContact O-C 3.55Å; W10-N13 WeakPolarHBondContact O-CA 3.21Å; W10-N13 PolarHBondContact O-N 3.47Å; A11-N13 PolarHBondContact O-N 2.93Å; N13-L15 VanDerWaalsContact C-N 3.26Å; N13-L15 PolarHBondContact O-N 3.34Å
14L67.6Low68Low115 Ų11585.6 Ų85.660%0.60244%0.44SS*.Hα-helixtrans-65.6-29.7175.8-74.9169.3000112.6W10W10-L14 HydrophobicContact CB-CD1 4.06Å; W10-L14 HydrophobicContact CB-CG 4.44Å; W10-L14 WeakPolarHBondContact O-CG 3.36Å; W10-L14 PolarHBondContact O-N 2.86Å
15L66.2Low67.1Low39 Ų3981.9 Ų81.920%0.20445%0.445CS..SBendtrans-106.62.2-176.4-60.4164.9000113.1A11 N13 S17 E33 I36 Q37 V40A11-L15 PolarHBondContact O-N 3.39Å; N13-L15 VanDerWaalsContact C-N 3.26Å; N13-L15 PolarHBondContact O-N 3.34Å; L15-S17 PolarHBondContact O-N 3.05Å; L15-E33 WeakPolarHBondContact CB-OE1 3.41Å; L15-E33 VanDerWaalsContact O-OE1 3.04Å; L15-I36 HydrophobicContact CD1-CG2 3.89Å; L15-I36 HydrophobicContact CD2-CG2 3.93Å; L15-Q37 HydrophobicContact CB-CG 3.99Å; L15-Q37 HydrophobicContact CD1-CB 4.21Å; L15-Q37 HydrophobicContact CD1-CG 3.68Å; L15-V40 HydrophobicContact CD1-CB 3.86Å; L15-V40 HydrophobicContact CD1-CG1 4.25Å; L15-V40 HydrophobicContact CD1-CG2 3.91Å
16R70.3Confident66.5Low139 Ų13982.5 Ų82.553%0.52545%0.448SS..  trans-71.767.5171.3-173.9168.9167.965.710.8110.4E21R16-E21 IonicContact CZ-OE1 2.73Å; R16-E21 IonicContact CZ-OE2 2.76Å; R16-E21 IonicContact NH1-OE1 3.2Å; R16-E21 PolarHBondContact NH1-OE1 3.42Å; R16-E21 IonicContact NH1-OE2 2.78Å; R16-E21 IonicContact NH2-OE1 3.88Å; R16-E21 PolarHBondContact NH2-OE1 3.32Å; R16-E21 IonicContact NH2-OE2 3.58Å; R16-E21 PolarHBondContact NH2-OE2 2.9Å
17S62.4Low66.6Low44 Ų4482.8 Ų82.831%0.30846%0.461SS..  trans-62153.2170.456.40000110L15 I20L15-S17 PolarHBondContact O-N 3.05Å; S17-I20 VanDerWaalsContact O-CG1 3.28Å; S17-I20 WeakPolarHBondContact O-CG1 3.39Å; S17-I20 WeakPolarHBondContact OG-CG1 3.36Å
18K64.1Low66.9Low166 Ų16688.2 Ų88.272%0.72249%0.49SS*.SBendtrans-83-23.1-177.4-151.9175.6-176.7-175.50111.8I20 E21 T22K18-I20 VanDerWaalsContact C-N 3.35Å; K18-I20 PolarHBondContact O-N 3.19Å; K18-E21 PolarHBondContact O-N 3.37Å; K18-T22 PolarHBondContact O-N 3.4Å
19D61.4Low67.1Low116 Ų11687.8 Ų87.862%0.6249%0.487SS*.Hα-helixtrans-78.3-21-169.8-40.9-64000112.6T22 S23D19-T22 PolarHBondContact O-OG1 3.44Å; D19-S23 VanDerWaalsContact O-CB 3.29Å; D19-S23 WeakPolarHBondContact O-CB 3.48Å; D19-S23 PolarHBondContact O-N 3.49Å
20I60.8Low67.3Low52 Ų5286.3 Ų86.327%0.26748%0.483SS..Hα-helixtrans-79.4-17.4169.859.2174.7000113.2S17 K18 M29 E33S17-I20 VanDerWaalsContact O-CG1 3.28Å; S17-I20 WeakPolarHBondContact O-CG1 3.39Å; S17-I20 WeakPolarHBondContact OG-CG1 3.36Å; K18-I20 VanDerWaalsContact C-N 3.35Å; K18-I20 PolarHBondContact O-N 3.19Å; I20-M29 HydrophobicContact CG2-CE 4.28Å; I20-E33 HydrophobicContact CD1-CG 3.76Å
21E62.5Low67.6Low115 Ų11586.7 Ų86.754%0.53749%0.489SS..Hα-helixtrans-87.7-24.4176.6-55.4-152.4114.700112.2R16 K18R16-E21 IonicContact CZ-OE1 2.73Å; R16-E21 IonicContact CZ-OE2 2.76Å; R16-E21 IonicContact NH1-OE1 3.2Å; R16-E21 PolarHBondContact NH1-OE1 3.42Å; R16-E21 IonicContact NH1-OE2 2.78Å; R16-E21 IonicContact NH2-OE1 3.88Å; R16-E21 PolarHBondContact NH2-OE1 3.32Å; R16-E21 IonicContact NH2-OE2 3.58Å; R16-E21 PolarHBondContact NH2-OE2 2.9Å; K18-E21 PolarHBondContact O-N 3.37Å
22T58Low68.2Low107 Ų10792 Ų9266%0.65651%0.513SS*.Hα-helixtrans-87.3-27.8172.852.70000112.7K18 D19 S24K18-T22 PolarHBondContact O-N 3.4Å; D19-T22 PolarHBondContact O-OG1 3.44Å; T22-S24 VanDerWaalsContact C-N 3.3Å; T22-S24 PolarHBondContact O-N 3.1Å
23S55.5Low68.9Low47 Ų4790.8 Ų90.833%0.32950%0.504SS..  trans-76.175175.4-1690000112.3D19 G25 M29D19-S23 VanDerWaalsContact O-CB 3.29Å; D19-S23 WeakPolarHBondContact O-CB 3.48Å; D19-S23 PolarHBondContact O-N 3.49Å; S23-G25 PolarHBondContact O-N 3.39Å; S23-G25 VanDerWaalsContact O-N 3.13Å; S23-M29 PolarHBondContact OG-SD 2.59Å
24S56.5Low69.4Low127 Ų12790 Ų9089%0.88850%0.503SS*.THydrogen-bonded Turntrans-69.8-0.1178.857.30000115.1T22T22-S24 VanDerWaalsContact C-N 3.3Å; T22-S24 PolarHBondContact O-N 3.1Å
25G55.7Low70.4Confident61 Ų6191.9 Ų91.963%0.62950%0.502SS*.THydrogen-bonded Turntrans-90.9-38.7-169.700000116.7S23S23-G25 PolarHBondContact O-N 3.39Å; S23-G25 VanDerWaalsContact O-N 3.13Å
26N67.5Low71.4Confident98 Ų9892.6 Ų92.652%0.52451%0.505SS..  trans-128.3102.1-162.9-78.775.9000113.8D28 M29N26-D28 PolarHBondContact O-N 3.42Å; N26-D28 VanDerWaalsContact O-N 3.1Å; N26-M29 HydrophobicContact CB-CG 4.38Å; N26-M29 HydrophobicContact CB-SD 4.48Å; N26-M29 WeakPolarHBondContact O-CB 3.39Å; N26-M29 PolarHBondContact O-N 3.47Å
27G76.9Confident72Confident46 Ų4688 Ų8847%0.47449%0.49SS..Hα-helixtrans-57.6-23.3173.500000114.5M29 A30 F31G27-M29 VanDerWaalsContact C-N 3.26Å; G27-M29 PolarHBondContact O-N 3.29Å; G27-A30 WeakPolarHBondContact O-CB 3.49Å; G27-A30 PolarHBondContact O-N 2.89Å; G27-A30 VanDerWaalsContact O-N 3.1Å; G27-F31 WeakPolarHBondContact O-CD2 3.02Å; G27-F31 PolarHBondContact O-N 3.41Å
28D82.1Confident73.2Confident116 Ų11690.6 Ų90.662%0.6250%0.497SS*.Hα-helixtrans-60.8-32.7174-65.8-39.4000113N26 F31 Q32N26-D28 PolarHBondContact O-N 3.42Å; N26-D28 VanDerWaalsContact O-N 3.1Å; D28-F31 PolarHBondContact O-N 2.95Å; D28-Q32 WeakPolarHBondContact O-CB 3.47Å; D28-Q32 PolarHBondContact O-N 3.37Å
29M79.9Confident74.3Confident80 Ų8086 Ų8639%0.39449%0.486SS..Hα-helixtrans-65.6-42.2173.4-69.2177.964.200110.6I20 S23 N26 G27 F31 Q32 E33I20-M29 HydrophobicContact CG2-CE 4.28Å; S23-M29 PolarHBondContact OG-SD 2.59Å; N26-M29 HydrophobicContact CB-CG 4.38Å; N26-M29 HydrophobicContact CB-SD 4.48Å; N26-M29 WeakPolarHBondContact O-CB 3.39Å; N26-M29 PolarHBondContact O-N 3.47Å; G27-M29 VanDerWaalsContact C-N 3.26Å; G27-M29 PolarHBondContact O-N 3.29Å; M29-F31 PolarHBondContact O-N 3.16Å; M29-Q32 PolarHBondContact O-N 3.45Å; M29-E33 WeakPolarHBondContact O-CB 3.21Å; M29-E33 PolarHBondContact O-N 3.27Å
30A79.3Confident75.5Confident57 Ų5782.3 Ų82.347%0.47147%0.468SS..Hα-helixtrans-65.6-36.4174.800000112.5G27 E33 V34G27-A30 WeakPolarHBondContact O-CB 3.49Å; G27-A30 PolarHBondContact O-N 2.89Å; G27-A30 VanDerWaalsContact O-N 3.1Å; A30-E33 PolarHBondContact O-N 3.16Å; A30-V34 WeakPolarHBondContact O-CG2 3.34Å; A30-V34 PolarHBondContact O-N 2.76Å
31F80.5Confident76.7Confident143 Ų14381.2 Ų81.263%0.62746%0.462SS*.Hα-helixtrans-73.8-24.5173.3-72.1-60.6000113.8G27 D28 M29 R35G27-F31 WeakPolarHBondContact O-CD2 3.02Å; G27-F31 PolarHBondContact O-N 3.41Å; D28-F31 PolarHBondContact O-N 2.95Å; M29-F31 PolarHBondContact O-N 3.16Å; F31-R35 WeakPolarHBondContact O-CG 3.27Å; F31-R35 PolarHBondContact O-NE 3.47Å
32Q84.4Confident78Confident110 Ų11080.3 Ų80.351%0.51446%0.458SS..Hα-helixtrans-73.2-46.2168.4-178.2167.3-17.400110.6D28 M29 V34 R35 I36D28-Q32 WeakPolarHBondContact O-CB 3.47Å; D28-Q32 PolarHBondContact O-N 3.37Å; M29-Q32 PolarHBondContact O-N 3.45Å; Q32-V34 PolarHBondContact O-N 2.73Å; Q32-R35 WeakPolarHBondContact O-CB 3.35Å; Q32-R35 PolarHBondContact O-N 2.86Å; Q32-R35 VanDerWaalsContact O-N 3.1Å; Q32-I36 HydrophobicContact CG-CD1 3.95Å; Q32-I36 WeakPolarHBondContact O-CG1 3.49Å; Q32-I36 PolarHBondContact O-N 3.01Å
33E81.6Confident79.4Confident21 Ų2179.3 Ų79.310%0.09844%0.444CS..Hα-helixtrans-56-51.3176.3177.953.6-142.400112.1L15 I20 M29 A30 R35 I36 Q37L15-E33 WeakPolarHBondContact CB-OE1 3.41Å; L15-E33 VanDerWaalsContact O-OE1 3.04Å; I20-E33 HydrophobicContact CD1-CG 3.76Å; M29-E33 WeakPolarHBondContact O-CB 3.21Å; M29-E33 PolarHBondContact O-N 3.27Å; A30-E33 PolarHBondContact O-N 3.16Å; E33-R35 PolarHBondContact O-N 3.14Å; E33-I36 PolarHBondContact O-N 3.17Å; E33-Q37 WeakPolarHBondContact O-CG 3.27Å; E33-Q37 PolarHBondContact O-N 3.42Å; E33-Q37 WeakPolarHBondContact OE1-CG 3.5Å; E33-Q37 PolarHBondContact OE1-NE2 3.04Å
34V83.8Confident80.9Confident90 Ų9078 Ų7855%0.54543%0.433SS..Hα-helixtrans-59.8-31.2177.21700000112.5A30 Q32 Q38A30-V34 WeakPolarHBondContact O-CG2 3.34Å; A30-V34 PolarHBondContact O-N 2.76Å; Q32-V34 PolarHBondContact O-N 2.73Å; V34-Q38 WeakPolarHBondContact O-CB 3.49Å; V34-Q38 PolarHBondContact O-N 3.23Å
35R88.8Confident82.3Confident156 Ų15673.9 Ų73.959%0.58940%0.401SS*.Hα-helixtrans-72.2-40.7173.2-76.1178.3-71154.4-1.8112.1F31 Q32 E33 Q38 S39F31-R35 WeakPolarHBondContact O-CG 3.27Å; F31-R35 PolarHBondContact O-NE 3.47Å; Q32-R35 WeakPolarHBondContact O-CB 3.35Å; Q32-R35 PolarHBondContact O-N 2.86Å; Q32-R35 VanDerWaalsContact O-N 3.1Å; E33-R35 PolarHBondContact O-N 3.14Å; R35-Q38 PolarHBondContact O-N 3.28Å; R35-S39 PolarHBondContact O-N 2.69Å; R35-S39 PolarHBondContact O-OG 3.22Å
36I86.4Confident83.9Confident53 Ų5376.2 Ų76.227%0.27240%0.399SS..Hα-helixtrans-64.7-42.8175.5-62.5165.6000109.9L15 Q32 E33 Q38 S39 V40L15-I36 HydrophobicContact CD1-CG2 3.89Å; L15-I36 HydrophobicContact CD2-CG2 3.93Å; Q32-I36 HydrophobicContact CG-CD1 3.95Å; Q32-I36 WeakPolarHBondContact O-CG1 3.49Å; Q32-I36 PolarHBondContact O-N 3.01Å; E33-I36 PolarHBondContact O-N 3.17Å; I36-Q38 PolarHBondContact O-N 3.39Å; I36-S39 PolarHBondContact O-N 2.99Å; I36-V40 HydrophobicContact CG2-CG2 4.41Å; I36-V40 WeakPolarHBondContact O-CG2 3.12Å; I36-V40 PolarHBondContact O-N 2.9Å
37Q84.8Confident84.7Confident42 Ų4274.2 Ų74.220%0.19639%0.387CS..Hα-helixtrans-59-46.4173.1-70-17714.200112.2L15 E33 S39 V40 I41L15-Q37 HydrophobicContact CB-CG 3.99Å; L15-Q37 HydrophobicContact CD1-CB 4.21Å; L15-Q37 HydrophobicContact CD1-CG 3.68Å; E33-Q37 WeakPolarHBondContact O-CG 3.27Å; E33-Q37 PolarHBondContact O-N 3.42Å; E33-Q37 WeakPolarHBondContact OE1-CG 3.5Å; E33-Q37 PolarHBondContact OE1-NE2 3.04Å; Q37-S39 PolarHBondContact O-N 3.46Å; Q37-V40 PolarHBondContact O-N 3.25Å; Q37-I41 WeakPolarHBondContact O-CB 3.41Å; Q37-I41 WeakPolarHBondContact O-CD1 3.47Å; Q37-I41 WeakPolarHBondContact O-CG1 3.36Å; Q37-I41 PolarHBondContact O-N 3.15Å
38Q86.9Confident85Confident100 Ų10073.1 Ų73.147%0.46737%0.371SS..Hα-helixtrans-58.7-47.9174.8174.556.838.900111.4V34 R35 I36 V40 I41 E42V34-Q38 WeakPolarHBondContact O-CB 3.49Å; V34-Q38 PolarHBondContact O-N 3.23Å; R35-Q38 PolarHBondContact O-N 3.28Å; I36-Q38 PolarHBondContact O-N 3.39Å; Q38-V40 PolarHBondContact O-N 3.38Å; Q38-I41 PolarHBondContact O-N 3.47Å; Q38-E42 PolarHBondContact NE2-OE2 3.07Å; Q38-E42 VanDerWaalsContact NE2-OE2 3.12Å; Q38-E42 VanDerWaalsContact O-CB 3.27Å; Q38-E42 WeakPolarHBondContact O-CB 3.41Å; Q38-E42 PolarHBondContact O-N 3.47Å
39S87.9Confident84.9Confident70 Ų7075 Ų7549%0.4938%0.376SS..Hα-helixtrans-61.9-39.6178.4-64.80000113R35 I36 Q37 E42 F43R35-S39 PolarHBondContact O-N 2.69Å; R35-S39 PolarHBondContact O-OG 3.22Å; I36-S39 PolarHBondContact O-N 2.99Å; Q37-S39 PolarHBondContact O-N 3.46Å; S39-E42 PolarHBondContact O-N 3.22Å; S39-F43 VanDerWaalsContact O-CB 3.26Å; S39-F43 WeakPolarHBondContact O-CB 3.34Å; S39-F43 PolarHBondContact O-N 3.06Å
40V85.8Confident85Confident38 Ų3878.7 Ų78.723%0.2339%0.392CS..Hα-helixtrans-75.6-36.5179171.80000111.9A11 L15 I36 Q37 Q38 E42 I44A11-V40 HydrophobicContact CB-CG1 3.94Å; L15-V40 HydrophobicContact CD1-CB 3.86Å; L15-V40 HydrophobicContact CD1-CG1 4.25Å; L15-V40 HydrophobicContact CD1-CG2 3.91Å; I36-V40 HydrophobicContact CG2-CG2 4.41Å; I36-V40 WeakPolarHBondContact O-CG2 3.12Å; I36-V40 PolarHBondContact O-N 2.9Å; Q37-V40 PolarHBondContact O-N 3.25Å; Q38-V40 PolarHBondContact O-N 3.38Å; V40-E42 VanDerWaalsContact C-N 3.34Å; V40-I44 HydrophobicContact CG1-CD1 3.74Å; V40-I44 HydrophobicContact CG1-CG1 4.35Å; V40-I44 WeakPolarHBondContact O-CB 3.18Å; V40-I44 VanDerWaalsContact O-CG1 3.23Å; V40-I44 WeakPolarHBondContact O-CG1 3.3Å; V40-I44 PolarHBondContact O-N 3.2Å
41I86.1Confident85.1Confident28 Ų2879.5 Ų79.514%0.14439%0.388CS..Hα-helixtrans-57.4-51.5168.3-70.9164.8000109.2L8 A11 P12 Q37 Q38 I44 L45L8-I41 HydrophobicContact CD2-CG2 3.96Å; A11-I41 HydrophobicContact CB-CB 4.42Å; A11-I41 HydrophobicContact CB-CG1 3.46Å; A11-I41 VanDerWaalsContact CB-CG1 3.46Å; P12-I41 HydrophobicContact CG-CD1 4.49Å; Q37-I41 WeakPolarHBondContact O-CB 3.41Å; Q37-I41 WeakPolarHBondContact O-CD1 3.47Å; Q37-I41 WeakPolarHBondContact O-CG1 3.36Å; Q37-I41 PolarHBondContact O-N 3.15Å; Q38-I41 PolarHBondContact O-N 3.47Å; I41-I44 PolarHBondContact O-N 3.49Å; I41-L45 HydrophobicContact CG2-CD1 3.69Å; I41-L45 HydrophobicContact CG2-CG 4.21Å; I41-L45 VanDerWaalsContact O-CB 3.3Å; I41-L45 WeakPolarHBondContact O-CB 3.27Å; I41-L45 WeakPolarHBondContact O-CG 3.44Å; I41-L45 PolarHBondContact O-N 2.89Å
42E88.9Confident85Confident97 Ų9776.1 Ų76.145%0.45337%0.373SS..Hα-helixtrans-64.2-42.7-177.5-172.4160.6171.100112.2Q38 S39 V40 L45 N46Q38-E42 PolarHBondContact NE2-OE2 3.07Å; Q38-E42 VanDerWaalsContact NE2-OE2 3.12Å; Q38-E42 VanDerWaalsContact O-CB 3.27Å; Q38-E42 WeakPolarHBondContact O-CB 3.41Å; Q38-E42 PolarHBondContact O-N 3.47Å; S39-E42 PolarHBondContact O-N 3.22Å; V40-E42 VanDerWaalsContact C-N 3.34Å; E42-L45 PolarHBondContact O-N 2.88Å; E42-N46 VanDerWaalsContact O-CB 3.32Å; E42-N46 WeakPolarHBondContact O-CB 3.26Å; E42-N46 PolarHBondContact O-N 3.38Å; E42-N46 PolarHBondContact O-ND2 2.61Å
43F88.1Confident84.7Confident86 Ų8673.6 Ų73.638%0.37737%0.368SS..Hα-helixtrans-58.4-53.2173.3-179.1-92.3000111.7S39 L45 N46 H47 I51 L841S39-F43 VanDerWaalsContact O-CB 3.26Å; S39-F43 WeakPolarHBondContact O-CB 3.34Å; S39-F43 PolarHBondContact O-N 3.06Å; F43-L45 VanDerWaalsContact C-N 3.28Å; F43-L45 PolarHBondContact O-N 3.22Å; F43-N46 PolarHBondContact O-N 2.62Å; F43-H47 AromaticContact CD2-CE1 3.44Å; F43-H47 VanDerWaalsContact CD2-CE1 3.44Å; F43-H47 WeakPolarHBondContact CD2-CE1 3.36Å; F43-H47 AromaticContact CD2-ND1 3.36Å; F43-H47 WeakPolarHBondContact CD2-ND1 3.44Å; F43-H47 AromaticContact CE2-CE1 3.41Å; F43-H47 VanDerWaalsContact CE2-CE1 3.41Å; F43-H47 WeakPolarHBondContact CE2-CE1 3.49Å; F43-H47 AromaticContact CE2-ND1 3.41Å; F43-H47 WeakPolarHBondContact CE2-ND1 3.41Å; F43-H47 AromaticContact CG-ND1 3.74Å; F43-H47 AromaticContact CZ-ND1 3.83Å; F43-H47 WeakPolarHBondContact O-CB 3.33Å; F43-H47 PolarHBondContact O-N 3.29Å; F43-H47 PolarHBondContact O-ND1 2.77Å; F43-I51 HydrophobicContact CE1-CD1 4.2Å; F43-L841 HydrophobicContact CD2-CD1 4.18Å; F43-L841 HydrophobicContact CE2-CD1 4.14Å; F43-L841 HydrophobicContact CG-CD1 4.49Å; F43-L841 HydrophobicContact CZ-CD1 4.41Å
44I86.8Confident83.6Confident19 Ų1976.2 Ų76.210%0.09740%0.4CS..Hα-helixtrans-65.2-35.3-178.7-60.3165.8000110.5A7 A11 V40 I41 T48 I51 F52A7-I44 HydrophobicContact CB-CB 4.01Å; A7-I44 HydrophobicContact CB-CG2 3.48Å; A7-I44 VanDerWaalsContact CB-CG2 3.48Å; A11-I44 HydrophobicContact CB-CD1 4.33Å; V40-I44 HydrophobicContact CG1-CD1 3.74Å; V40-I44 HydrophobicContact CG1-CG1 4.35Å; V40-I44 WeakPolarHBondContact O-CB 3.18Å; V40-I44 VanDerWaalsContact O-CG1 3.23Å; V40-I44 WeakPolarHBondContact O-CG1 3.3Å; V40-I44 PolarHBondContact O-N 3.2Å; I41-I44 PolarHBondContact O-N 3.49Å; I44-T48 WeakPolarHBondContact O-CA 3.32Å; I44-T48 WeakPolarHBondContact O-CG2 3.19Å; I44-T48 PolarHBondContact O-N 2.85Å; I44-I51 HydrophobicContact CB-CD1 4.33Å; I44-I51 HydrophobicContact CG1-CD1 4.35Å; I44-I51 HydrophobicContact CG2-CD1 4.12Å; I44-F52 HydrophobicContact CG2-CE2 3.98Å; I44-F52 HydrophobicContact CG2-CZ 4.35Å
45L85.8Confident81.8Confident40 Ų4079.1 Ų79.121%0.20941%0.413CS..Hα-helixtrans-65.3-47.4176.3-73.7-179.2000112.4R4 A7 I41 E42 F43 T48R4-L45 HydrophobicContact CB-CD2 3.71Å; R4-L45 HydrophobicContact CG-CD2 3.66Å; A7-L45 HydrophobicContact CB-CD2 3.8Å; A7-L45 HydrophobicContact CB-CG 4.24Å; I41-L45 HydrophobicContact CG2-CD1 3.69Å; I41-L45 HydrophobicContact CG2-CG 4.21Å; I41-L45 VanDerWaalsContact O-CB 3.3Å; I41-L45 WeakPolarHBondContact O-CB 3.27Å; I41-L45 WeakPolarHBondContact O-CG 3.44Å; I41-L45 PolarHBondContact O-N 2.89Å; E42-L45 PolarHBondContact O-N 2.88Å; F43-L45 VanDerWaalsContact C-N 3.28Å; F43-L45 PolarHBondContact O-N 3.22Å; L45-T48 PolarHBondContact O-N 3.05Å; L45-T48 PolarHBondContact O-OG1 2.95Å
46N88.9Confident79.9Confident110 Ų11076.4 Ų76.459%0.58842%0.417SS*.Hα-helixtrans-68.1-36.6-179.4-68.7-17.2000111.9E42 F43E42-N46 VanDerWaalsContact O-CB 3.32Å; E42-N46 WeakPolarHBondContact O-CB 3.26Å; E42-N46 PolarHBondContact O-N 3.38Å; E42-N46 PolarHBondContact O-ND2 2.61Å; F43-N46 PolarHBondContact O-N 2.62Å
47H85.1Confident77.8Confident56 Ų5680.7 Ų80.726%0.25944%0.441SS..THydrogen-bonded Turntrans-97.617.7-179.7-54.589.8000113F43 E49 Q50 I51F43-H47 AromaticContact CD2-CE1 3.44Å; F43-H47 VanDerWaalsContact CD2-CE1 3.44Å; F43-H47 WeakPolarHBondContact CD2-CE1 3.36Å; F43-H47 AromaticContact CD2-ND1 3.36Å; F43-H47 WeakPolarHBondContact CD2-ND1 3.44Å; F43-H47 AromaticContact CE2-CE1 3.41Å; F43-H47 VanDerWaalsContact CE2-CE1 3.41Å; F43-H47 WeakPolarHBondContact CE2-CE1 3.49Å; F43-H47 AromaticContact CE2-ND1 3.41Å; F43-H47 WeakPolarHBondContact CE2-ND1 3.41Å; F43-H47 AromaticContact CG-ND1 3.74Å; F43-H47 AromaticContact CZ-ND1 3.83Å; F43-H47 WeakPolarHBondContact O-CB 3.33Å; F43-H47 PolarHBondContact O-N 3.29Å; F43-H47 PolarHBondContact O-ND1 2.77Å; H47-E49 PolarHBondContact O-N 3.16Å; H47-E49 VanDerWaalsContact O-N 3.15Å; H47-Q50 HydrophobicContact CB-CB 4.47Å; H47-Q50 PolarHBondContact CD2-OE1 3.32Å; H47-Q50 PolarHBondContact O-N 3.05Å; H47-I51 HydrophobicContact CB-CD1 3.83Å; H47-I51 HydrophobicContact CB-CG1 4.13Å; H47-I51 WeakPolarHBondContact O-CG1 3.41Å; H47-I51 PolarHBondContact O-N 3.15Å
48T83.4Confident75.6Confident24 Ų2486 Ų8615%0.14747%0.466CS..Hα-helixtrans-54.1-38.3-177.636.60000113.3I44 L45 Q50 F52I44-T48 WeakPolarHBondContact O-CA 3.32Å; I44-T48 WeakPolarHBondContact O-CG2 3.19Å; I44-T48 PolarHBondContact O-N 2.85Å; L45-T48 PolarHBondContact O-N 3.05Å; L45-T48 PolarHBondContact O-OG1 2.95Å; T48-Q50 VanDerWaalsContact C-N 3.34Å; T48-F52 HydrophobicContact CG2-CD2 4.32Å; T48-F52 HydrophobicContact CG2-CE2 4.4Å; T48-F52 WeakPolarHBondContact O-CB 3.39Å; T48-F52 WeakPolarHBondContact O-CD2 3.23Å; T48-F52 PolarHBondContact O-N 2.94Å; T48-F52 VanDerWaalsContact O-N 3.08Å
49E80Confident73.5Confident156 Ų15688.5 Ų88.573%0.72948%0.481SS*.Hα-helixtrans-74.9-23.1178.8-64.2-176174.900112.4H47 S53H47-E49 PolarHBondContact O-N 3.16Å; H47-E49 VanDerWaalsContact O-N 3.15Å; E49-S53 WeakPolarHBondContact O-CB 3.5Å; E49-S53 PolarHBondContact O-N 3.35Å; E49-S53 PolarHBondContact O-OG 2.88Å
50Q82.9Confident70.8Confident156 Ų15693.8 Ų93.873%0.72949%0.49SS*.Hα-helixtrans-87.5-33.1177-60.6174.615.600112.2H47 T48H47-Q50 HydrophobicContact CB-CB 4.47Å; H47-Q50 PolarHBondContact CD2-OE1 3.32Å; H47-Q50 PolarHBondContact O-N 3.05Å; T48-Q50 VanDerWaalsContact C-N 3.34Å
51I80.5Confident68.4Low75 Ų7597.7 Ų97.739%0.38552%0.516SS..Hα-helixtrans-80-29.1179.3-61.5166000111.6F43 I44 H47F43-I51 HydrophobicContact CE1-CD1 4.2Å; I44-I51 HydrophobicContact CB-CD1 4.33Å; I44-I51 HydrophobicContact CG1-CD1 4.35Å; I44-I51 HydrophobicContact CG2-CD1 4.12Å; H47-I51 HydrophobicContact CB-CD1 3.83Å; H47-I51 HydrophobicContact CB-CG1 4.13Å; H47-I51 WeakPolarHBondContact O-CG1 3.41Å; H47-I51 PolarHBondContact O-N 3.15Å
52F79.1Confident65.7Low71 Ų71103.8 Ų103.831%0.31155%0.549SS..Hα-helixtrans-127.4-0.3-169.9-55.4-67.5000116.3T3 L6 I44 T48T3-F52 HydrophobicContact CG2-CB 3.56Å; T3-F52 HydrophobicContact CG2-CD2 3.54Å; T3-F52 HydrophobicContact CG2-CE2 4.44Å; T3-F52 HydrophobicContact CG2-CG 3.73Å; L6-F52 HydrophobicContact CD2-CE1 3.69Å; L6-F52 HydrophobicContact CD2-CZ 3.87Å; I44-F52 HydrophobicContact CG2-CE2 3.98Å; I44-F52 HydrophobicContact CG2-CZ 4.35Å; T48-F52 HydrophobicContact CG2-CD2 4.32Å; T48-F52 HydrophobicContact CG2-CE2 4.4Å; T48-F52 WeakPolarHBondContact O-CB 3.39Å; T48-F52 WeakPolarHBondContact O-CD2 3.23Å; T48-F52 PolarHBondContact O-N 2.94Å; T48-F52 VanDerWaalsContact O-N 3.08Å
53S76.4Confident63.3Low58 Ų58108.6 Ų108.641%0.40657%0.571SS.*  trans-77.8135.2167.6-57.10000109.9E49 D55E49-S53 WeakPolarHBondContact O-CB 3.5Å; E49-S53 PolarHBondContact O-N 3.35Å; E49-S53 PolarHBondContact O-OG 2.88Å; S53-D55 PolarHBondContact O-N 3.22Å
54G58.5Low60.6Low76 Ų76107.2 Ų107.278%0.78458%0.582SS**SBendtrans-72.4-0.8172.800000113.8S56G54-S56 PolarHBondContact O-N 3.35Å
55D47.7Very low58.6Low151 Ų151113.2 Ų113.281%0.80762%0.622SS**  trans-77.544.4-179.7-58.3-31.2000111.8S53 D57S53-D55 PolarHBondContact O-N 3.22Å; D55-D57 PolarHBondContact O-N 3.32Å
56S48.7Very low55.9Low98 Ų98116.4 Ų116.469%0.68565%0.647SS**  trans-58.7114.4148.3174.50000106.4G54G54-S56 PolarHBondContact O-N 3.35Å
57D41.1Very low53.4Low143 Ų143119 Ų11977%0.76566%0.661SS**  trans-46146.1165.3-94.2-51000110D55 I59D55-D57 PolarHBondContact O-N 3.32Å; D57-I59 PolarHBondContact O-N 3.31Å
58Q39.9Very low51Low153 Ų153125.4 Ų125.472%0.71569%0.693SS**  trans-67.687.7171.1-72.1-174.513.500109R60Q58-R60 PolarHBondContact O-N 3.34Å; Q58-R60 VanDerWaalsContact OE1-NE 3.17Å
59I42.3Very low48.3Very low153 Ų153130.2 Ų130.279%0.78573%0.726SS**  trans-63.684.2153.8-56.7-179.7000105.6D57 P61D57-I59 PolarHBondContact O-N 3.31Å; I59-P61 WeakPolarHBondContact O-CD 3.38Å
60R31.3Very low46Very low182 Ų182126.3 Ų126.369%0.68772%0.721SS**  trans-53.7120.4170.3-73.7-63.7-162.3109.85.1106.8Q58 N62Q58-R60 PolarHBondContact O-N 3.34Å; Q58-R60 VanDerWaalsContact OE1-NE 3.17Å; R60-N62 VanDerWaalsContact C-N 3.3Å; R60-N62 PolarHBondContact O-N 2.94Å
61P34.5Very low43.5Very low119 Ų119125.3 Ų125.377%0.77372%0.716SS**  trans-63.8102.2164.127.2-31.1000106I59 E63I59-P61 WeakPolarHBondContact O-CD 3.38Å; P61-E63 PolarHBondContact O-N 3.21Å
62N30.7Very low41.4Very low157 Ų157130 Ų13084%0.8473%0.733SS**  trans-73.2124.4-176.2-153.827.1000107.6R60 G64R60-N62 VanDerWaalsContact C-N 3.3Å; R60-N62 PolarHBondContact O-N 2.94Å; N62-G64 PolarHBondContact O-N 3.25Å; N62-G64 VanDerWaalsContact O-N 3.14Å
63E38.2Very low39.3Very low197 Ų197136.9 Ų136.992%0.92176%0.759SS**  trans-68.2113.5-162.6-68.5162.6128.300111.5P61P61-E63 PolarHBondContact O-N 3.21Å
64G31Very low37.3Very low58 Ų58139.1 Ų139.160%0.59878%0.781SS**  trans-149.9127.4176.600000109.5N62 S66N62-G64 PolarHBondContact O-N 3.25Å; N62-G64 VanDerWaalsContact O-N 3.14Å; G64-S66 PolarHBondContact O-N 3.48Å
65P45.2Very low36.1Very low144 Ų144141.6 Ų141.694%0.93578%0.781SS**  trans-77.6114.3-168.429.4-34.1000111.7
66S29.4Very low35.6Very low107 Ų107140.9 Ų140.975%0.74878%0.776SS**  trans-140.2116.7165-164.60000111.3G64G64-S66 PolarHBondContact O-N 3.48Å
67L34.6Very low35Very low166 Ų166142.3 Ų142.387%0.86978%0.783SS**  trans19132.2155.9-60.4170.5000120.4
68M35.8Very low35Very low190 Ų190142.9 Ų142.994%0.93679%0.785SS**  trans-59.3130.3173-68.8-74.3153.300113.1
69C27.5Very low34.8Very low125 Ų125141.4 Ų141.485%0.84579%0.791SS**  trans-152.7134.1148.7-169.10000109
70A31.1Very low34.6Very low74 Ų74137.9 Ų137.961%0.61279%0.792SS**  trans-148.282.1-166.800000113.7
71E30.6Very low35.2Very low134 Ų134133 Ų13363%0.62680%0.798SS**  trans-125.164.4-178.4-146.588.3-97.500114.2Y73E71-Y73 PolarHBondContact O-N 3.11Å
72K36.7Very low35.3Very low174 Ų174133.5 Ų133.576%0.75781%0.805SS**  41.266.5127.2-50173.7-152.5110.60118.7
73Y33.8Very low35.7Very low216 Ų216128.5 Ų128.585%0.84779%0.791SS**  trans-89.2146143-78.4-88.1000109.9E71 T75E71-Y73 PolarHBondContact O-N 3.11Å; Y73-T75 VanDerWaalsContact C-N 3.33Å; Y73-T75 PolarHBondContact O-N 3.36Å
74A35.9Very low35.7Very low104 Ų104125.3 Ų125.386%0.8679%0.787SS**  trans-77.469-161.800000114.8L76A74-L76 PolarHBondContact O-N 3.21Å
75T32.8Very low36.4Very low129 Ų129131.4 Ų131.479%0.79180%0.802SS**  trans-73.5112.6171.8-53.90000110.5Y73Y73-T75 VanDerWaalsContact C-N 3.33Å; Y73-T75 PolarHBondContact O-N 3.36Å
76L37.6Very low37Very low135 Ų135133.9 Ų133.971%0.70780%0.798SS**  trans-65.5134.2175.5-65.8174.7000111A74 I78A74-L76 PolarHBondContact O-N 3.21Å; L76-I78 HydrophobicContact CB-CG1 4.42Å; L76-I78 PolarHBondContact O-N 3.22Å
77P35.8Very low38.5Very low129 Ų129136.5 Ų136.584%0.83880%0.803SS**  trans-74.690.4179.229.8-34.6000111.3
78I39.8Very low39.9Very low155 Ų155133.7 Ų133.780%0.79579%0.787SS**  trans-102.579173.3-52.8-179.2000109.8L76L76-I78 HydrophobicContact CB-CG1 4.42Å; L76-I78 PolarHBondContact O-N 3.22Å
79S35.4Very low41.5Very low122 Ų122127.2 Ų127.285%0.85376%0.76SS**  trans-162159.5158.4-165.30000111
80G39.9Very low43.5Very low78 Ų78127 Ų12780%0.80475%0.75SS**SBendtrans92.114.5154.900000119.6
81G44.1Very low45.4Very low79 Ų79129.1 Ų129.181%0.81475%0.747SS**  trans79.299.9158.800000117.4
82S35.1Very low47.4Very low131 Ų131126.3 Ų126.392%0.91673%0.734SS**  trans-140.3171.4158.7-167.90000110.3
83G40Very low49.3Very low52 Ų52120 Ų12054%0.53671%0.714SS.*  trans-68.1175.9-172.800000115M85G83-M85 PolarHBondContact O-N 2.84Å
84P38.6Very low51.3Low130 Ų130114.8 Ų114.884%0.84470%0.698SS**  trans-58.3128.9177.725.8-34.4000110.5K86P84-K86 PolarHBondContact O-N 3.31Å
85M45.7Very low52.7Low185 Ų185110.7 Ų110.791%0.91166%0.663SS**  trans-56.1101.9-176.6-65.6170.870.600110.9G83 L87G83-M85 PolarHBondContact O-N 2.84Å; M85-L87 PolarHBondContact O-N 3.16Å
86K57.1Low54.4Low197 Ų197111.2 Ų111.286%0.85765%0.651SS**PPolyproline II helixtrans-78.3117.3174.7-172.5-178.5177.3-168.10108P84 M88P84-K86 PolarHBondContact O-N 3.31Å; K86-M88 PolarHBondContact O-N 2.82Å
87L61.6Low55.7Low161 Ų161109.4 Ų109.484%0.84365%0.65SS**PPolyproline II helixtrans-60124.7171.5-58.9177.1000108.8M85M85-L87 PolarHBondContact O-N 3.16Å
88M63.3Low57.1Low108 Ų108106.7 Ų106.753%0.53263%0.627SS.*PPolyproline II helixtrans-63150.817163.6-171.27600110K86 E92 A93K86-M88 PolarHBondContact O-N 2.82Å; M88-E92 WeakPolarHBondContact CA-OE2 3.46Å; M88-E92 HydrophobicContact CB-CB 4.26Å; M88-E92 HydrophobicContact CB-CG 4.41Å; M88-E92 WeakPolarHBondContact CB-OE2 3.44Å; M88-A93 HydrophobicContact CG-CB 4.23Å; M88-A93 HydrophobicContact SD-CB 4Å
89S69.6Low58Low53 Ų53102.9 Ų102.937%0.37162%0.615SS.*PPolyproline II helixtrans-71.9163.8177.591.90000111.3E91 E92 A93S89-E91 WeakPolarHBondContact CB-OE2 3.47Å; S89-E91 PolarHBondContact O-N 2.93Å; S89-E91 PolarHBondContact OG-N 3.45Å; S89-E91 PolarHBondContact OG-OE2 2.88Å; S89-E92 PolarHBondContact N-OE2 3.35Å; S89-E92 PolarHBondContact O-N 3.34Å; S89-E92 VanDerWaalsContact O-N 3.16Å; S89-E92 PolarHBondContact OG-N 3.37Å; S89-E92 VanDerWaalsContact OG-N 3.16Å; S89-A93 PolarHBondContact O-N 2.88Å
90L69.9Low59.3Low120 Ų120102 Ų10263%0.62861%0.606SS**Hα-helixtrans-59.2-41.9177.6-177.966.2000110.7E92 A93 Q94L90-E92 VanDerWaalsContact C-N 3.35Å; L90-A93 PolarHBondContact O-N 2.91Å; L90-Q94 WeakPolarHBondContact O-CB 3.42Å; L90-Q94 VanDerWaalsContact O-CG 3.26Å; L90-Q94 WeakPolarHBondContact O-CG 3.21Å; L90-Q94 PolarHBondContact O-N 3.17Å
91E70.2Confident60Low119 Ų119103.8 Ų103.856%0.55660%0.597SS**Hα-helixtrans-67.5-34.7178-50.875.1-16500111.6S89 A95S89-E91 WeakPolarHBondContact CB-OE2 3.47Å; S89-E91 PolarHBondContact O-N 2.93Å; S89-E91 PolarHBondContact OG-N 3.45Å; S89-E91 PolarHBondContact OG-OE2 2.88Å; E91-A95 WeakPolarHBondContact O-CB 3.34Å; E91-A95 PolarHBondContact O-N 3.35Å
92E72Confident61.1Low76 Ų76103.6 Ų103.636%0.35558%0.575SS.*Hα-helixtrans-71.7-37.2176.6-159-161.1146.100111.9M88 S89 L90 R96M88-E92 WeakPolarHBondContact CA-OE2 3.46Å; M88-E92 HydrophobicContact CB-CB 4.26Å; M88-E92 HydrophobicContact CB-CG 4.41Å; M88-E92 WeakPolarHBondContact CB-OE2 3.44Å; S89-E92 PolarHBondContact N-OE2 3.35Å; S89-E92 PolarHBondContact O-N 3.34Å; S89-E92 VanDerWaalsContact O-N 3.16Å; S89-E92 PolarHBondContact OG-N 3.37Å; S89-E92 VanDerWaalsContact OG-N 3.16Å; L90-E92 VanDerWaalsContact C-N 3.35Å; E92-R96 PolarHBondContact O-N 3.04Å; E92-R96 IonicContact OE1-CZ 2.62Å; E92-R96 IonicContact OE1-NH1 3.54Å; E92-R96 PolarHBondContact OE1-NH1 3.15Å; E92-R96 IonicContact OE1-NH2 3.76Å; E92-R96 PolarHBondContact OE1-NH2 2.89Å
93A77.2Confident62Low41 Ų41101.7 Ų101.734%0.33956%0.56SS.*Hα-helixtrans-67.7-46171.600000111.3M88 S89 L90 A95 R96 S97M88-A93 HydrophobicContact CG-CB 4.23Å; M88-A93 HydrophobicContact SD-CB 4Å; S89-A93 PolarHBondContact O-N 2.88Å; L90-A93 PolarHBondContact O-N 2.91Å; A93-A95 PolarHBondContact O-N 3.08Å; A93-R96 PolarHBondContact O-N 2.94Å; A93-R96 VanDerWaalsContact O-N 3.15Å; A93-S97 PolarHBondContact O-N 3.22Å
94Q76.7Confident62.7Low107 Ų107102.1 Ų102.150%0.555%0.552SS.*Hα-helixtrans-61.4-42.4176.5-75.3172.3-27.300111.8L90 R96 S97 L98L90-Q94 WeakPolarHBondContact O-CB 3.42Å; L90-Q94 VanDerWaalsContact O-CG 3.26Å; L90-Q94 WeakPolarHBondContact O-CG 3.21Å; L90-Q94 PolarHBondContact O-N 3.17Å; Q94-R96 PolarHBondContact O-N 3.38Å; Q94-S97 PolarHBondContact O-N 3Å; Q94-S97 PolarHBondContact O-OG 3.36Å; Q94-L98 PolarHBondContact O-N 3.35Å
95A65.4Low63.5Low17 Ų1798.1 Ų98.114%0.1452%0.521CS..Hα-helixtrans-61.3-26.9176.400000113.5E91 A93E91-A95 WeakPolarHBondContact O-CB 3.34Å; E91-A95 PolarHBondContact O-N 3.35Å; A93-A95 PolarHBondContact O-N 3.08Å
96R67.9Low64Low141 Ų14194.3 Ų94.353%0.53250%0.5SS..Hα-helixtrans-84.9-14.7173.1-69.8-171.2-175.9100.46114.5E92 A93 Q94 L98E92-R96 PolarHBondContact O-N 3.04Å; E92-R96 IonicContact OE1-CZ 2.62Å; E92-R96 IonicContact OE1-NH1 3.54Å; E92-R96 PolarHBondContact OE1-NH1 3.15Å; E92-R96 IonicContact OE1-NH2 3.76Å; E92-R96 PolarHBondContact OE1-NH2 2.89Å; A93-R96 PolarHBondContact O-N 2.94Å; A93-R96 VanDerWaalsContact O-N 3.15Å; Q94-R96 PolarHBondContact O-N 3.38Å; R96-L98 VanDerWaalsContact C-N 3.33Å
97S65.4Low63.7Low97 Ų9792.6 Ų92.668%0.67850%0.495SS*.Hα-helixtrans-82.4-9.8170.866.60000113.8A93 Q94A93-S97 PolarHBondContact O-N 3.22Å; Q94-S97 PolarHBondContact O-N 3Å; Q94-S97 PolarHBondContact O-OG 3.36Å
98L65.5Low63.3Low71 Ų7191.2 Ų91.237%0.37248%0.478SS..SBendtrans-81.2150.8172.7-58.5178.1000110.3Q94 R96 H102Q94-L98 PolarHBondContact O-N 3.35Å; R96-L98 VanDerWaalsContact C-N 3.33Å; L98-H102 HydrophobicContact CB-CB 4.2Å
99S57.6Low62.5Low76 Ų7691.2 Ų91.253%0.53148%0.477SS..  trans-51.2138.3176.8173.70000111.5N101 H102S99-N101 PolarHBondContact O-N 2.76Å; S99-H102 WeakPolarHBondContact O-CB 3.15Å; S99-H102 PolarHBondContact O-N 2.77Å
100P63.1Low61.4Low102 Ų10299.7 Ų99.766%0.66250%0.501SS*.THydrogen-bonded Turntrans-53.8-19.8179.3-28.835.6000115.1
101N55.1Low60.3Low117 Ų117100.5 Ų100.563%0.62650%0.502SS*.THydrogen-bonded Turntrans-85.8-9.9177.6-85.1-50.7000115.4S99 K106S99-N101 PolarHBondContact O-N 2.76Å; N101-K106 WeakPolarHBondContact O-CE 3.4Å; N101-K106 PolarHBondContact O-NZ 2.82Å; N101-K106 VanDerWaalsContact O-NZ 3.07Å; N101-K106 PolarHBondContact OD1-NZ 3.24Å
102H66.1Low59.2Low75 Ų75100.9 Ų100.935%0.34751%0.507SS..  trans-63.9134.3-174.5-168.5-98000112.2L98 S99 V104 H105L98-H102 HydrophobicContact CB-CB 4.2Å; S99-H102 WeakPolarHBondContact O-CB 3.15Å; S99-H102 PolarHBondContact O-N 2.77Å; H102-V104 VanDerWaalsContact C-N 3.32Å; H102-V104 PolarHBondContact O-N 2.79Å; H102-H105 WeakPolarHBondContact O-CB 3.39Å; H102-H105 PolarHBondContact O-N 3.13Å
103P54Low57.6Low91 Ų91101.6 Ų101.659%0.59152%0.521SS*.Hα-helixtrans-59.4-37.6-171.120.5-32.8000113.8H105 K106 E107P103-H105 PolarHBondContact O-N 2.89Å; P103-H105 VanDerWaalsContact O-N 3.17Å; P103-K106 PolarHBondContact O-N 3.07Å; P103-E107 PolarHBondContact O-N 3.08Å
104V54.9Low55.9Low61 Ų61107.3 Ų107.337%0.3755%0.545SS..Hα-helixtrans-63.5-20.9178.8-177.90000112.9H102H102-V104 VanDerWaalsContact C-N 3.32Å; H102-V104 PolarHBondContact O-N 2.79Å
105H56.3Low54.2Low45 Ų45107.4 Ų107.421%0.20856%0.555CS.*Hα-helixtrans-78.7-39.2173.1-170.9-96.9000111.5H102 P103 R108 Q109H102-H105 WeakPolarHBondContact O-CB 3.39Å; H102-H105 PolarHBondContact O-N 3.13Å; P103-H105 PolarHBondContact O-N 2.89Å; P103-H105 VanDerWaalsContact O-N 3.17Å; H105-R108 PolarHBondContact O-N 3.03Å; H105-Q109 VanDerWaalsContact CE1-CD 3.43Å; H105-Q109 PolarHBondContact CE1-NE2 2.84Å; H105-Q109 PolarHBondContact ND1-OE1 3.4Å; H105-Q109 PolarHBondContact O-N 3.15Å; H105-Q109 VanDerWaalsContact O-N 3.14Å
106K55.7Low52.7Low106 Ų106113.5 Ų113.546%0.46159%0.585SS.*Hα-helixtrans-71.1-34.5-175.3-68.9174.7175.1165.20113N101 P103N101-K106 WeakPolarHBondContact O-CE 3.4Å; N101-K106 PolarHBondContact O-NZ 2.82Å; N101-K106 VanDerWaalsContact O-NZ 3.07Å; N101-K106 PolarHBondContact OD1-NZ 3.24Å; P103-K106 PolarHBondContact O-N 3.07Å
107E49.7Very low51.2Low160 Ų160113.5 Ų113.575%0.74860%0.601SS**Hα-helixtrans-64.4-46.9173.8-170.4170.3-154.600111.4P103 Q109 R110P103-E107 PolarHBondContact O-N 3.08Å; E107-Q109 PolarHBondContact O-N 3.12Å; E107-R110 PolarHBondContact O-N 3.31Å
108R54.7Low50Low132 Ų132113.9 Ų113.950%0.49860%0.603SS.*Hα-helixtrans-80-12.8-174.1-138.7-175.1-61.9-80.94115.3H105 E111 N112H105-R108 PolarHBondContact O-N 3.03Å; R108-E111 WeakPolarHBondContact CG-OE1 3.2Å; R108-E111 WeakPolarHBondContact O-CG 3.41Å; R108-N112 PolarHBondContact O-ND2 3.39Å
109Q45Very low49Very low108 Ų108116.5 Ų116.551%0.50562%0.623SS.*Hα-helixtrans-70.9-32.6171.3-85.6-174.3-55.100112.4H105 E107 E111 N112 S113H105-Q109 VanDerWaalsContact CE1-CD 3.43Å; H105-Q109 PolarHBondContact CE1-NE2 2.84Å; H105-Q109 PolarHBondContact ND1-OE1 3.4Å; H105-Q109 PolarHBondContact O-N 3.15Å; H105-Q109 VanDerWaalsContact O-N 3.14Å; E107-Q109 PolarHBondContact O-N 3.12Å; Q109-E111 PolarHBondContact O-N 2.89Å; Q109-E111 VanDerWaalsContact O-N 3.1Å; Q109-N112 PolarHBondContact O-N 3.47Å; Q109-S113 PolarHBondContact O-N 3.44Å
110R47.8Very low48.1Very low232 Ų232117.8 Ų117.888%0.87564%0.638SS**THydrogen-bonded Turntrans-66.6-15.4-171.5-150.5177.5-158.61506114.7E107E107-R110 PolarHBondContact O-N 3.31Å
111E46.2Very low47Very low137 Ų137117.8 Ų117.864%0.6464%0.64SS**THydrogen-bonded Turntrans-108.4-5.7-177.553.1-178.9-17400113.7R108 Q109R108-E111 WeakPolarHBondContact CG-OE1 3.2Å; R108-E111 WeakPolarHBondContact O-CG 3.41Å; Q109-E111 PolarHBondContact O-N 2.89Å; Q109-E111 VanDerWaalsContact O-N 3.1Å
112N47.7Very low46.6Very low126 Ų126119 Ų11967%0.67465%0.646SS**THydrogen-bonded Turntrans-121-8.1-174.6-71.9-64.8000115R108 Q109 L114R108-N112 PolarHBondContact O-ND2 3.39Å; Q109-N112 PolarHBondContact O-N 3.47Å; N112-L114 PolarHBondContact O-N 3.4Å
113S38.3Very low45.4Very low92 Ų92125 Ų12564%0.64367%0.667SS**  trans-80105168.456.50000110.8Q109Q109-S113 PolarHBondContact O-N 3.44Å
114L40.7Very low44.8Very low161 Ų161130 Ų13084%0.84368%0.682SS**PPolyproline II helixtrans-66.2145.4161.4-75.1168.9000109.5N112N112-L114 PolarHBondContact O-N 3.4Å
115P41.7Very low44.3Very low108 Ų108133 Ų13370%0.70170%0.701SS**PPolyproline II helixtrans-74.8142.3-172.930-35.6000112.7T117P115-T117 PolarHBondContact O-N 2.8Å
116D33.1Very low43.7Very low146 Ų146137.3 Ų137.378%0.78173%0.73SS**PPolyproline II helixtrans-60.9122.8176.2-69.9-60.4000112S118D116-S118 PolarHBondContact O-N 2.82Å
117T37.7Very low43.2Very low140 Ų140139.3 Ų139.386%0.85974%0.744SS**THydrogen-bonded Turntrans-8346.5-171.461.30000113.2P115P115-T117 PolarHBondContact O-N 2.8Å
118S39.7Very low42.3Very low105 Ų105138.9 Ų138.973%0.73474%0.742SS**THydrogen-bonded Turntrans-126.6-3.9-169.7-60.30000115.3D116D116-S118 PolarHBondContact O-N 2.82Å
119T44.2Very low41.5Very low127 Ų127138.9 Ų138.978%0.77975%0.75SS**SBendtrans-126.90.9-176.454.10000114.7S121T119-S121 PolarHBondContact O-N 3.46Å
120A38.9Very low41Very low103 Ų103139 Ų13985%0.85176%0.763SS**  trans-80.544.7-172.300000114.6
121S40.6Very low40.4Very low102 Ų102134.8 Ų134.871%0.71376%0.758SS**  trans-13951.2-176.871.30000114.6T119T119-S121 PolarHBondContact O-N 3.46Å
122L45.8Very low39.6Very low141 Ų141136.1 Ų136.174%0.73877%0.77SS**  trans-155.3169.8156.4-135.466.8000110.6
123Y40.3Very low39.4Very low203 Ų203138.2 Ų138.280%0.79677%0.773SS**  trans71.874.4178.8-47.8-67.4000117.4
124H41Very low39.5Very low195 Ų195145.5 Ų145.590%0.90379%0.786SS**  trans-89.3117.3148.3-89.4-68.5000109.9
125T45.1Very low39.7Very low125 Ų125148.7 Ų148.777%0.76779%0.787SS**  trans-141.392165.8490000112
126V44Very low39.5Very low135 Ų135153 Ų15382%0.81880%0.795SS**  trans16.7147.4141.8-164.10000120.5
127I44.3Very low39.5Very low148 Ų148151.6 Ų151.676%0.75980%0.797SS**  trans127.6127.7158-69.9162.7000110.8
128E31.3Very low39.4Very low151 Ų151148.2 Ų148.271%0.70679%0.789SS**  cis-159.5161.3-11.7-114.5-170.4129.600112.8
129I38.6Very low39.2Very low131 Ų131153.1 Ų153.167%0.67280%0.798SS**  trans64.294.4145.1-67.9175.8000121.3
130S34.3Very low38.9Very low111 Ų111152.8 Ų152.878%0.77680%0.8SS**  88.9138.6113.5-60.20000124.9
131D34.6Very low38.9Very low143 Ų143157 Ų15777%0.76580%0.799SS**  trans-64.7154.3169.9-71.8-70.3000115.1
132N30.6Very low39Very low165 Ų165161.4 Ų161.488%0.88281%0.806SS**  trans-142.2146.8138.8-155.1-21.4000111.8
133K42.6Very low38.3Very low171 Ų171166.6 Ų166.674%0.74382%0.816SS**  trans-105.1120.3-159.1-60.8-178.7-177.5177.70113
134R41.6Very low38.7Very low245 Ų245166.1 Ų166.193%0.92582%0.818SS**  trans-148.6126.9155.9-156.4163.2-67.8-160.91.4111.6
135R43Very low38.9Very low227 Ų227160.8 Ų160.886%0.85780%0.802SS**  trans-85.7137.7-179.3-60.5179.3177.3-169.6-0.7111.2
136F39.4Very low38.8Very low199 Ų199161.8 Ų161.887%0.87380%0.801SS**  trans-166.7116.6133.8-74.2-57.8000106.4
137S33.2Very low39Very low117 Ų117164.3 Ų164.382%0.81880%0.802SS**  7195.162.7-163.60000114.7
138G34.5Very low38.6Very low68 Ų68163.2 Ų163.270%0.70180%0.797SS**  trans100.3111.1140.800000120.3
139K35.6Very low38.8Very low209 Ų209164.9 Ų164.991%0.90981%0.81SS**  trans63.464140.5-55.5174.8-178.1173.80118.3K141K139-K141 VanDerWaalsContact C-N 3.32Å; K139-K141 PolarHBondContact O-N 2.85Å
140S37.1Very low38.6Very low119 Ų119161.7 Ų161.783%0.83281%0.809SS**  trans-73.272.5165.945.20000113.5
141K40.4Very low38.9Very low192 Ų192168.4 Ų168.484%0.83582%0.818SS**  trans-109.9122.1169.5-165.9166.9-172.91700110.6K139K139-K141 VanDerWaalsContact C-N 3.32Å; K139-K141 PolarHBondContact O-N 2.85Å
142K41.7Very low38.9Very low194 Ų194166.7 Ų166.784%0.84382%0.817SS**  trans78.996.4-170.3-54175.2179.4177.60114.7
143W30.8Very low39Very low251 Ų251165.2 Ų165.295%0.95181%0.813SS**  trans-85.8119.8137.4-77.574.1000107.3
144K48.6Very low38.4Very low193 Ų193164.4 Ų164.484%0.83981%0.812SS**  trans-161.4129.7168.6-135.117690.476.50111.3
145S45.8Very low38.2Very low83 Ų83156.2 Ų156.258%0.5879%0.792SS**  trans71.488.6166.9-160.40000117.6
146I44Very low37.9Very low145 Ų145154.6 Ų154.674%0.74479%0.792SS**  trans-140.2136.9134.510.5176000104.8
147F47Very low38Very low189 Ų189148.2 Ų148.283%0.82978%0.782SS**  cis-114158.713.4-66.1-94.7000113.6
148N35.3Very low38.4Very low124 Ų124152.6 Ų152.666%0.66379%0.787SS**  trans-116.8142.1159.7-63.2-79.9000107.7
149L36.4Very low38.5Very low187 Ų187157.2 Ų157.298%0.97979%0.794SS**  trans-147.3110.5160.8-137.676.1000107.4
150G34.5Very low38.4Very low63 Ų63151.3 Ų151.365%0.64978%0.779SS**SBendcis-167.4-159.7-3.600000112.5
151R39.3Very low38.4Very low253 Ų253155.1 Ų155.196%0.95578%0.776SS**  trans72.670.1-179.4-55-168.5-175.4-80.9-3.9116.1
152S34.6Very low38.1Very low107 Ų107152.1 Ų152.175%0.74877%0.768SS**  trans-70.3137.4148.7167.70000111.1
153V34.3Very low37.7Very low133 Ų133146.4 Ų146.481%0.80677%0.765SS**  trans-148.6107.7140.3-171.70000103.5
154E30.1Very low37.7Very low155 Ų155139.6 Ų139.672%0.72476%0.755SS**  68.3133.168.7-155.8176.9-162.800112.4
155S36.6Very low37.3Very low72 Ų72136 Ų13650%0.50375%0.749SS.*  cis-162.1174.2-26.259.10000110.6
156K36Very low36.7Very low193 Ų193140.6 Ų140.684%0.83976%0.759SS**  trans68.8157.7161.3-61.6154.8-165.7165.50114.5
157G41.7Very low36.4Very low66 Ų66140.8 Ų140.868%0.6876%0.76SS**  cis-155.7163.8-4.100000112.3L159G157-L159 PolarHBondContact O-N 2.96Å
158K41.1Very low35.8Very low209 Ų209142.3 Ų142.391%0.90976%0.76SS**  trans-69.7118.7164.4-76.9-175.2174.7-1760108.8
159L37.7Very low35.7Very low164 Ų164141 Ų14186%0.85977%0.767SS**  trans-179.5154.7155.3-92.3149.8000105.3G157G157-L159 PolarHBondContact O-N 2.96Å
160S33.9Very low35.4Very low85 Ų85140.6 Ų140.659%0.59476%0.76SS**  cis-146.5133.13.3-146.40000111
161R36.8Very low35.3Very low200 Ų200141.4 Ų141.476%0.75577%0.768SS**  34.6138115.4-156.8-160150.7173.90.2119.3
162N33.1Very low35.1Very low128 Ų128134.1 Ų134.168%0.68476%0.762SS**  trans79.4133.3167.5-40.2-62.3000116.1
163G33Very low35Very low75 Ų75134.6 Ų134.677%0.77377%0.765SS**  trans-119.2158.915600000109.9
164S31.8Very low34.8Very low107 Ų107134.8 Ų134.875%0.74876%0.757SS**  trans-160.5120.5169.653.10000105
165V40.5Very low35.1Very low117 Ų117135.7 Ų135.771%0.70976%0.759SS**  49.894.154.1-172.80000110.9
166F33.8Very low35Very low181 Ų181136.6 Ų136.679%0.79477%0.771SS**  trans170.4100.8141-80.7-51.1000106.9
167I37.3Very low34.9Very low148 Ų148132 Ų13276%0.75977%0.768SS**  64.4107.992.2-65-177.7000113.6
168R34.2Very low34.8Very low222 Ų222135.7 Ų135.784%0.83877%0.772SS**  -152.4122.4120.7-170.2161.6-66.7-167.8-0.3110.6
169A32.9Very low34.8Very low97 Ų97135.8 Ų135.880%0.80277%0.767SS**  trans-107.9155.4160.800000108.1
170Q30.6Very low34.6Very low178 Ų178134.6 Ų134.683%0.83277%0.769SS**  trans-149.396178.4-168.2165.2-8.100112.6
171G32.5Very low34.4Very low79 Ų79135.7 Ų135.781%0.81478%0.776SS**  trans84.1140.8161.800000117.1
172A33.9Very low34.2Very low100 Ų100137.8 Ų137.883%0.82678%0.784SS**  cis-160.2161.7-12.200000112
173S32.8Very low34.1Very low117 Ų117135.2 Ų135.282%0.81878%0.776SS**  trans74.4166.9162.3-140.90000120.7
174E31.6Very low34.2Very low137 Ų137140.2 Ų140.264%0.6478%0.782SS**  trans-82.8148.4-143.9-65.8-172.698.500120.1
175K36.3Very low34.3Very low174 Ų174142.2 Ų142.276%0.75778%0.779SS**  trans59.6155.9131.2-65169.7-177.2160.80121.6
176A33.8Very low33.8Very low91 Ų91141.6 Ų141.675%0.75278%0.78SS**  trans54.6100169.900000115.9
177A34.3Very low33.8Very low96 Ų96140.4 Ų140.479%0.79378%0.781SS**  48.588.472.500000114.4
178L38.8Very low33.4Very low144 Ų144138.5 Ų138.575%0.75478%0.78SS**  -172.2107127.1-99167.4000112.3
179R42.2Very low33Very low212 Ų212133.4 Ų133.480%0.878%0.778SS**  trans26.5113.3152.7-56.3-175.9-174.8974118.8
180P31.5Very low32.8Very low139 Ų139134.4 Ų134.490%0.90378%0.779SS**  trans-61.7136.6173.7-22.633.5000114.4
181S30.3Very low32.7Very low107 Ų107130.1 Ų130.175%0.74877%0.769SS**  trans-157.3143.7159.261.90000107.9
182R33.9Very low33.1Very low244 Ų244131.8 Ų131.892%0.92177%0.765SS**  trans64.6154.8-165.7-68.9178163.8157.3-7.2114.2
183S30.7Very low33Very low74 Ų74133.9 Ų133.952%0.51776%0.763SS.*  cis-162.1153.7-22.142.40000110.5E185S183-E185 WeakPolarHBondContact CB-OE1 3.42Å; S183-E185 PolarHBondContact OG-OE1 3.36Å
184M35.5Very low33.3Very low181 Ų181136.5 Ų136.589%0.89277%0.768SS**  trans-161.9115.9161.8-100.9179.467.600104.3
185E32.7Very low33.5Very low148 Ų148137.3 Ų137.369%0.69278%0.776SS**  cis59.983.714.268.3180135.200115.8S183S183-E185 WeakPolarHBondContact CB-OE1 3.42Å; S183-E185 PolarHBondContact OG-OE1 3.36Å
186S29.9Very low33.6Very low104 Ų104132.7 Ų132.773%0.72778%0.778SS**  159.8169.7106.8-163.40000112.1
187L33.8Very low33.6Very low156 Ų156132.3 Ų132.382%0.81778%0.775SS**  trans71.3125.5171.7-47.6-176.7000115.5
188C28.6Very low33.5Very low109 Ų109139.3 Ų139.374%0.73678%0.781SS**  cis-149.9158.91.8-91.20000112.4
189S26.5Very low33.3Very low115 Ų115137.6 Ų137.680%0.80478%0.78SS**  trans17.3144.6151.562.10000121.8
190S28.7Very low32.7Very low117 Ų117134.6 Ų134.682%0.81878%0.78SS**  cis-156.8167.329.156.50000115.1
191S28.6Very low32.9Very low88 Ų88134.7 Ų134.762%0.61578%0.779SS**  trans-84.9-171163.168.70000111.3D193S191-D193 PolarHBondContact OG-OD1 3.42Å
192P41.1Very low32.9Very low114 Ų114134.7 Ų134.774%0.7478%0.779SS**  cis-105.4149.436.80.823.7000113.8
193D32.3Very low32.6Very low145 Ų145128 Ų12878%0.77578%0.775SS**  96.411560.9-60.5-5.2000112.4S191S191-D193 PolarHBondContact OG-OD1 3.42Å
194D37.7Very low32.5Very low172 Ų172132.1 Ų132.192%0.9279%0.792SS**  trans-157.1152.7133.4-162.812.8000109
195D37.3Very low32.2Very low154 Ų154126.3 Ų126.382%0.82478%0.778SS**  trans-110.5145-162.7-124.2-38.4000113.6
196G37.1Very low32.1Very low76 Ų76124.2 Ų124.278%0.78478%0.779SS**  trans-165.368.3-170.600000114.7
197A33.2Very low32.2Very low83 Ų83126.7 Ų126.769%0.68678%0.784SS**  trans-89.8154.8-166.500000116.3
198R32.3Very low32.1Very low244 Ų244124.6 Ų124.692%0.92178%0.783SS**  trans78.1153167.7-52.615873.5-171.24.3114.8
199S35.3Very low32.6Very low107 Ų107126.5 Ų126.575%0.74878%0.784SS**  cis-133.4155.15.458.10000113.4
200N30.2Very low32.7Very low149 Ų149130 Ų13080%0.79779%0.785SS**  trans-79.3141.6171.2-53.5-26000110.6
201T36.2Very low33.3Very low142 Ų142132.2 Ų132.287%0.87179%0.786SS**  trans-124.8136.8139.448.20000108.7
202S28.8Very low34Very low107 Ų107132.7 Ų132.775%0.74879%0.788SS**  trans-154.1175.8-176.2-60.80000107.8
203A29.1Very low33.1Very low102 Ų102134 Ų13484%0.84379%0.788SS**  trans72.9148-175.600000114.9
204D28.3Very low32.9Very low162 Ų162131.6 Ų131.687%0.86678%0.779SS**  cis-165.2174.2-23.1-176.532.9000108.3
205G28.6Very low32.6Very low58 Ų58131.8 Ų131.860%0.59877%0.771SS**  trans99.5107.5167.900000112.8
206S30.5Very low32.2Very low104 Ų104128.9 Ų128.973%0.72776%0.763SS**  80.394.558.1-169.10000114.2
207N32.9Very low32Very low156 Ų156136.4 Ų136.483%0.83477%0.768SS**  trans40.599.5130.7-51.3-26.4000119
208S30.7Very low32.1Very low112 Ų112138.5 Ų138.578%0.78377%0.772SS**  trans-157.6150.7133-163.80000113.8
209I39.7Very low31.9Very low149 Ų149135.3 Ų135.376%0.76477%0.772SS**  trans-58.4135169.4-62.2147.6000110.7
210F27.8Very low31.5Very low188 Ų188133.6 Ų133.683%0.82577%0.772SS**  trans-160.3134.2140.2-88.9-60.2000112.6
211I41.6Very low32.1Very low164 Ų164132.8 Ų132.884%0.84178%0.778SS**  trans-122.4118.8151.2-69.7173.2000103.8
212P42.8Very low31.6Very low99 Ų99133.2 Ų133.264%0.64378%0.775SS**  -151.4-179.6112.246.7-30.8000111.1
213D23.8Very low31.5Very low142 Ų142132.4 Ų132.476%0.75977%0.769SS**  cis-160-179-15.6-135.6-34.1000111.9
214V27.5Very low31.6Very low94 Ų94134.3 Ų134.357%0.5777%0.765SS**  trans55.5102.4141.6171.90000121
215K30.3Very low31.6Very low176 Ų176137 Ų13777%0.76576%0.764SS**  53.5134.5126.3-50.5174.4-164.8160.70122.8
216S29.5Very low31.5Very low93 Ų93140.2 Ų140.265%0.6577%0.767SS**  75123.2128.866.90000122
217R33Very low31.5Very low234 Ų234142.1 Ų142.188%0.88377%0.769SS**  -160.7165.197.2-120.1158.5-73.4-158.10.1114.7
218T35.6Very low31.2Very low127 Ų127140.6 Ų140.678%0.77976%0.761SS**  trans-95.5-171.5168-24.10000109.5
219L28.9Very low31.2Very low176 Ų176142.8 Ų142.892%0.92176%0.758SS**  trans80.1149.4-170.4-48.3173.8000112.3
220G25.8Very low30.6Very low72 Ų72144 Ų14474%0.74276%0.761SS**  cis160.5138.4-3.900000110.1
221S41.9Very low30.4Very low132 Ų132139.4 Ų139.492%0.92375%0.752SS**  trans-89.1148.3-168-440000115.2
222D26.3Very low29.8Very low150 Ų150140.2 Ų140.280%0.80275%0.752SS**  trans-168156.9147.1-145.62.2000107.1
223S27Very low29Very low91 Ų91142.5 Ų142.564%0.63676%0.759SS**  cis-132177-8.485.90000107.9
224L31.6Very low29.2Very low142 Ų142146.3 Ų146.374%0.74376%0.763SS**  cis78.990.519.5-155.6165.9000115.7
225Y28.2Very low29.4Very low218 Ų218149.6 Ų149.686%0.85577%0.772SS**  trans-172.3167.8151.1-108.9-70.5000108.8
226D25.9Very low29.1Very low125 Ų125148.4 Ų148.467%0.66877%0.771SS**  -141.3173.5-89.8-164.614.1000110.6
227L31.1Very low29.2Very low145 Ų145152 Ų15276%0.75978%0.775SS**  trans0.4135166.8-73.7159.5000120.3
228N26.6Very low28.9Very low123 Ų123144.4 Ų144.466%0.65876%0.762SS**  179.9165.690.6-163.823.1000113.9
229E29.5Very low28.6Very low158 Ų158147.8 Ų147.874%0.73877%0.766SS**  trans48.2111.9160.8-84.9154.4-139.200120.2
230H27.3Very low28.7Very low176 Ų176148.7 Ų148.782%0.81576%0.763SS**  78.410054.4-148.9104.4000114.4
231S24.9Very low28.7Very low91 Ų91149.2 Ų149.264%0.63677%0.768SS**  167.6151.9113.153.80000115.4
232Q29.1Very low28Very low180 Ų180146.5 Ų146.584%0.84176%0.76SS**  trans48.4112.4143.5-66.7165.914.200120.4
233N25.6Very low28.2Very low148 Ų148144.3 Ų144.379%0.79176%0.764SS**  -142.7116.6102.9-147.3-29000111.3
234W28.3Very low28.2Very low221 Ų221149.2 Ų149.284%0.83777%0.773SS**  trans-132131.3168.6-92.189.8000107.3
235E31.8Very low28Very low164 Ų164147 Ų14777%0.76678%0.776SS**  trans35.7115.8151.6-165.1173.4-154.400120.2
236M24.3Very low27.9Very low150 Ų150139.4 Ų139.474%0.73976%0.764SS**  trans-126.1137.6164.1-92.181167.200111.3
237K29.6Very low27.9Very low169 Ų169145.4 Ų145.474%0.73578%0.777SS**  cis-165.9151.3-19-137.8-179.9-172.9174.50113.2
238A27Very low27.9Very low75 Ų75143.5 Ų143.562%0.6278%0.776SS**  trans65.5124.9146.500000121
239K30.4Very low28.1Very low198 Ų198143.8 Ų143.886%0.86179%0.788SS**  trans-179.7153.5133.1-85.2136.5-144.2109.60108.4
240K30.4Very low28.1Very low195 Ų195139 Ų13985%0.84878%0.781SS**  cis-154.620.1-24.4-174.8-111.6157.7178.10113.1
241G25.9Very low28.3Very low83 Ų83138.4 Ų138.486%0.85678%0.783SS**  trans95172.1-177.200000114.3
242G26.9Very low28.6Very low74 Ų74140 Ų14076%0.76378%0.784SS**  cis168.8159.5-5.700000114.1
243A30.7Very low28.7Very low105 Ų105138 Ų13887%0.86877%0.774SS**  trans66.4166.5179.400000115.3
244K27.1Very low28.9Very low193 Ų193137.6 Ų137.684%0.83977%0.766SS**  cis-157.6153-2.5-155.6-179.1-180-177.50110.2
245A28.3Very low28.9Very low97 Ų97132.3 Ų132.380%0.80275%0.754SS**  trans61.9162.5161.700000118.1
246G24.7Very low29Very low58 Ų58130 Ų13060%0.59876%0.756SS**  cis123110.2-11.900000115
247W25.6Very low30.1Very low250 Ų250129.2 Ų129.295%0.94776%0.761SS**  trans68138.4176.2-50-35.1000115.7
248S32.3Very low29.9Very low106 Ų106124.7 Ų124.774%0.74176%0.763SS**  cis90100.916.886.60000117.3
249S30.7Very low29.9Very low129 Ų129125.5 Ų125.590%0.90277%0.77SS**  trans-165.1148.8146.2-156.60000108.5
250G29.1Very low29.8Very low57 Ų57121.4 Ų121.459%0.58877%0.766SS**  cis145.3158.4-4.600000111.9
251L31.8Very low29.7Very low164 Ų164116.1 Ų116.186%0.85975%0.754SS**  trans66119.4-177.5-155.670.6000112.9
252N30.8Very low29.7Very low123 Ų123120.8 Ų120.866%0.65875%0.751SS**  cis-152.5171.1-0.1-137.54000107.7
253H31.9Very low29.8Very low138 Ų138123.3 Ų123.364%0.63974%0.742SS**  cis-141-124.63.2-160.913.9000108.5
254K30.1Very low29.7Very low141 Ų141126.1 Ų126.161%0.61374%0.735SS**  cis-155.1150.9-7.8-138.2-52.6175.1179.60107.4
255D28.1Very low29.8Very low110 Ų110122.3 Ų122.359%0.58873%0.728SS**  trans20.888165.4-60.4-5.9000119.8
256S32.8Very low29.7Very low116 Ų116125.8 Ų125.881%0.81173%0.73SS**  55.1153.8109-61.10000123.4
257P47.8Very low31.3Very low132 Ų132127.7 Ų127.786%0.85773%0.732SS**  trans-134.5-178.4-149.243-25.3000116.5
258G26.4Very low31.6Very low75 Ų75124.3 Ų124.377%0.77373%0.727SS**  trans172.6142.4156.100000113.1
259A27.2Very low31.7Very low91 Ų91126.7 Ų126.775%0.75273%0.726SS**  cis-160.8157.2-13.600000110.6
260S28.3Very low32Very low112 Ų112127.6 Ų127.678%0.78372%0.72SS**  trans46.514714657.30000122.9
261S26.5Very low32.3Very low84 Ų84134.3 Ų134.359%0.58773%0.733SS**  cis172.2162.1-15.1560000109.8
262F25.7Very low32.2Very low182 Ų182131.4 Ų131.480%0.79872%0.722SS**  trans64.5150.5142.6-73.7-35.8000120.1
263Q29.5Very low32.1Very low126 Ų126134.1 Ų134.159%0.58973%0.728SS**  cis-146.5179.8-16.2-57.2-151.8-29.400110.6
264K30Very low32.1Very low164 Ų164134.8 Ų134.871%0.71373%0.729SS**  trans64.9122.3143.9-101.9102168.3-161.70122.4
265T27.7Very low32.2Very low114 Ų114130.8 Ų130.870%0.69973%0.728SS**  24.5125.4123.361.20000121.5
266M26.5Very low32.4Very low169 Ų169131.2 Ų131.283%0.83373%0.73SS**  28152.4107.6-63.9-77.3-80.600119.7
267P59.3Low32.6Very low98 Ų98132.3 Ų132.364%0.63673%0.727SS**  cis-147.2128.1-38.837.2-18.3000114.4
268E31.3Very low32.3Very low180 Ų180133.6 Ų133.684%0.84173%0.726SS**  trans-145.4109.8177-149.4154.4-172.900118.9
269Q33.9Very low32.8Very low156 Ų156134.4 Ų134.473%0.72972%0.72SS**  trans27.7125.9130.8-50.3-174.920.700123.1
270L36.6Very low33.1Very low147 Ų147136.7 Ų136.777%0.7772%0.719SS**  47.681.9123.1-57171.3000120.9
271K35.6Very low33.2Very low198 Ų198141.1 Ų141.186%0.86172%0.72SS**  trans-148.4128135.8-120.4105.8177.5-177.40107
272V30.7Very low33.6Very low104 Ų104145 Ų14563%0.6373%0.727SS**  cis70.7131.728.8-158.90000112.7
273F28.5Very low34.5Very low179 Ų179141.5 Ų141.579%0.78572%0.722SS**  trans72.3113.8-164.6-72.5-97000112.7
274K30.9Very low34.5Very low153 Ų153141.1 Ų141.167%0.66573%0.734SS**  82.4140.274.6-95.2-171.8115-84.80111.7D276K274-D276 VanDerWaalsContact NZ-CG 3.3Å; K274-D276 IonicContact NZ-OD1 2.57Å; K274-D276 PolarHBondContact NZ-OD1 3.3Å; K274-D276 IonicContact NZ-OD2 3.18Å; K274-D276 PolarHBondContact NZ-OD2 2.8Å
275G32.4Very low34.5Very low57 Ų57137.9 Ų137.959%0.58873%0.731SS**  cis169.2-153.3-2.700000111.2
276D33.4Very low35.5Very low119 Ų119137.9 Ų137.964%0.63673%0.733SS**  trans73.2143.3161-46.1-34.2000114.1K274K274-D276 VanDerWaalsContact NZ-CG 3.3Å; K274-D276 IonicContact NZ-OD1 2.57Å; K274-D276 PolarHBondContact NZ-OD1 3.3Å; K274-D276 IonicContact NZ-OD2 3.18Å; K274-D276 PolarHBondContact NZ-OD2 2.8Å
277D36.9Very low35.8Very low138 Ų138139.1 Ų139.174%0.73873%0.734SS**  cis-153.2179.6-0.9-138.7-31.2000112.3
278L40.5Very low34.7Very low159 Ų159142.4 Ų142.483%0.83275%0.746SS**  trans73.1137.3174.2-45.3175.3000116.2
279S37Very low34.8Very low93 Ų93144.2 Ų144.265%0.6575%0.745SS**  cis-159.2156.4-15.160.30000112
280N33Very low34.9Very low139 Ų139146.1 Ų146.174%0.74375%0.746SS**  trans53.7105.3158.1-54.3-29.7000120
281Y30.3Very low34.9Very low204 Ų204145.4 Ų145.480%0.874%0.74SS**  72.7137.769.9-83.8-121000115.8
282K35.4Very low34.9Very low166 Ų166144 Ų14472%0.72274%0.741SS**  cis-160.9-149.1-15.1-147.2-167.2174.9171.60110.3
283P44.8Very low34.8Very low109 Ų109148 Ų14871%0.70875%0.746SS**  trans-124.9-177.5-138.344.9-26.1000116.6
284S30.4Very low34.9Very low118 Ų118144.2 Ų144.283%0.82574%0.742SS**  trans-164.7163.5138.1-158.50000114.3
285S29.6Very low34.8Very low95 Ų95139.4 Ų139.466%0.66474%0.736SS**  trans-146.9142.1168.4174.40000110.1
286P47.7Very low34.5Very low114 Ų114141.7 Ų141.774%0.7474%0.743SS**  trans-132143.8133.814.76.3000111.2
287K33.1Very low34.4Very low195 Ų195139.7 Ų139.785%0.84874%0.738SS**  cis81.4123.746.7-76.6-175.1175173.10115.5
288N35.7Very low34.4Very low167 Ų167144.3 Ų144.389%0.89375%0.745SS**  trans-57.1138.5164.5-93.3-66.6000113
289R35.3Very low34.4Very low218 Ų218142.4 Ų142.482%0.82374%0.743SS**  trans-166.5130.6146.2-120.6-169.1168.4176.7-1.8115.7
290R34.3Very low33.9Very low197 Ų197142.2 Ų142.274%0.74374%0.741SS**  trans69.5108.6130.6-160.7175.1-158.6176.45.3121
291M38.2Very low33.8Very low131 Ų131145 Ų14565%0.64575%0.747SS**  trans43.9136.9131.4-47.3-70.8-76.200121.2Y293M291-Y293 HydrophobicContact CE-CD2 4.48Å; M291-Y293 HydrophobicContact CE-CE2 3.75Å
292L35.3Very low33.9Very low168 Ų168141.5 Ų141.588%0.8875%0.749SS**  -166.2179.8105.2-97.7172.4000111.6
293Y29Very low33.7Very low188 Ų188136.5 Ų136.574%0.73774%0.744SS**  trans-100.9170.1-160-84.6-104.5000116.3M291M291-Y293 HydrophobicContact CE-CD2 4.48Å; M291-Y293 HydrophobicContact CE-CE2 3.75Å
294S29.5Very low33Very low101 Ų101136.1 Ų136.171%0.70675%0.745SS**  trans77.9138.6158.4-53.90000118.9R524S294-R524 PolarHBondContact O-NH2 2.91Å
295G28.6Very low33Very low52 Ų52139.5 Ų139.554%0.53675%0.745SS.*  cis146.9141.2-4.400000112.4
296S27.1Very low33.6Very low104 Ų104144.7 Ų144.773%0.72776%0.756SS**  trans65.7156.5177.4-120.20000116.5
297S31.5Very low32.9Very low77 Ų77145.5 Ų145.554%0.53876%0.761SS.*  cis-159.3165.4-10.117.80000111.3
298R37.2Very low33Very low236 Ų236144.6 Ų144.689%0.89176%0.764SS**  trans-69.6175168.6-69.9-177.6177.8-167.4-0.7112
299P39.9Very low32.9Very low119 Ų119145.5 Ų145.577%0.77376%0.763SS**  cis-131.6-145.91443.3-21.7000112.6
300S26.1Very low32.6Very low88 Ų88140.1 Ų140.162%0.61576%0.759SS**  cis-166.1137.53.338.30000113.2
301F30.6Very low32.6Very low198 Ų198135.6 Ų135.687%0.86876%0.758SS**  trans52.2161.9143.7-65.3-58.3000122.5
302P33.3Very low33.2Very low131 Ų131134.5 Ų134.585%0.85176%0.76SS**  cis-109.6-176.20.541.4-31.9000114.8
303G30.8Very low33Very low60 Ų60137.5 Ų137.562%0.61976%0.76SS**  trans-155.7-166.8174.600000111.6
304S29.9Very low33.3Very low102 Ų102136.7 Ų136.771%0.71376%0.763SS**  trans76.1147.9-161.679.40000113.3
305F31.4Very low33.7Very low189 Ų189139.7 Ų139.783%0.82977%0.765SS**  cis-122.9111.212.1-71.9-100.5000114.1
306F40.5Very low34.2Very low203 Ų203147.8 Ų147.889%0.8978%0.78SS**SBendtrans-140129.5141.8-81.8-75.7000107.1L308F306-L308 PolarHBondContact O-N 3.14Å
307P34.4Very low34.6Very low132 Ų132154.3 Ų154.386%0.85779%0.788SS**  trans-76.1111.3-173.928.7-33.4000111.6
308L34.7Very low35.4Very low175 Ų175155 Ų15592%0.91680%0.799SS**  trans-93.9121.3156.2-75.2171.5000108.1F306F306-L308 PolarHBondContact O-N 3.14Å
309E32.7Very low35.6Very low187 Ų187150.3 Ų150.387%0.87480%0.796SS**  trans-105.4129.3161.3-162.6163.9-172.100110S311E309-S311 PolarHBondContact O-N 2.7Å
310S30.4Very low35.5Very low104 Ų104151.3 Ų151.373%0.72780%0.795SS**  trans-44.7114.4-16945.80000118.7
311S33.6Very low36.2Very low103 Ų103155.6 Ų155.672%0.7281%0.809SS**  -0.7155.8109.1-173.10000118E309E309-S311 PolarHBondContact O-N 2.7Å
312P50.8Low36.9Very low107 Ų107150.6 Ų150.670%0.69580%0.799SS**  cis-137.8171.3-28.536.6-20.7000114.2
313R31Very low37.4Very low232 Ų232153.2 Ų153.288%0.87580%0.8SS**  trans-168.5143.6135-112.3165.5180172.90.4115.3
314H35.5Very low38.1Very low171 Ų171156.1 Ų156.179%0.79281%0.808SS**  trans54.9110.9162.2-82.493.7000121.5
315Q38.3Very low38.6Very low164 Ų164159.9 Ų159.977%0.76681%0.811SS**  trans-61.9149.2142.5-56167.2-7.100110.1
316R39Very low39.2Very low221 Ų221155.8 Ų155.883%0.83481%0.812SS**  178.8134.5105.8-98.6175.5-179.5-157.30.1114.2
317R36Very low39.2Very low241 Ų241151.5 Ų151.591%0.90980%0.803SS**  trans64.5137.1155.1-62.9-72.5174.8161.3-3.1117.8
318A47.1Very low39.6Very low93 Ų93150.4 Ų150.477%0.76980%0.798SS**  trans-83.8160.4174.100000111.6
319V42.6Very low40.2Very low136 Ų136147.7 Ų147.782%0.82479%0.789SS**  trans-122.2141.8163.1178.30000107.2
320N38Very low40.9Very low140 Ų140144.3 Ų144.375%0.74978%0.783SS**  trans-73.9129-173.1-54.8-54.2000111.3S322N320-S322 VanDerWaalsContact C-N 3.31Å; N320-S322 PolarHBondContact O-N 3.44Å
321I40.8Very low41.7Very low179 Ų179146.5 Ų146.592%0.91879%0.786SS**  trans-91.763.2170.850165.9000110.4
322S44.1Very low42.8Very low92 Ų92152.9 Ų152.964%0.64379%0.794SS**  trans-122.458.7-172.363.40000113.2N320N320-S322 VanDerWaalsContact C-N 3.31Å; N320-S322 PolarHBondContact O-N 3.44Å
323E43.1Very low42.5Very low187 Ų187154.9 Ų154.987%0.87480%0.804SS**SBendtrans-146.3148.3155.8-104-173.8155.500109.9
324P47.4Very low42.9Very low121 Ų121148.3 Ų148.379%0.78679%0.793SS**  trans-83.1142.7-168.932.8-34.8000113.1A326P324-A326 PolarHBondContact O-N 3.28Å
325F39.7Very low43.4Very low180 Ų180144.5 Ų144.579%0.78979%0.792SS**  trans-74.8122.9173.453.1-88.3000111V327F325-V327 HydrophobicContact CD2-CG2 3.72Å; F325-V327 HydrophobicContact CE2-CG2 3.83Å; F325-V327 PolarHBondContact O-N 2.72Å
326A43.2Very low43.8Very low103 Ų103143.6 Ų143.685%0.85180%0.797SS**  trans-77.8113.5173.500000110.6P324 S328P324-A326 PolarHBondContact O-N 3.28Å; A326-S328 PolarHBondContact O-N 2.85Å
327V41.3Very low44Very low113 Ų113141.1 Ų141.169%0.68580%0.799SS**  trans-83.2108176.4-177.80000109.9F325 V329F325-V327 HydrophobicContact CD2-CG2 3.72Å; F325-V327 HydrophobicContact CE2-CG2 3.83Å; F325-V327 PolarHBondContact O-N 2.72Å; V327-V329 PolarHBondContact O-N 3.22Å
328S43.3Very low44Very low110 Ų110134.7 Ų134.777%0.76979%0.79SS**  trans-73.5113.5175.156.20000111.6A326A326-S328 PolarHBondContact O-N 2.85Å
329V45.5Very low43.6Very low118 Ų118135.8 Ų135.872%0.71579%0.792SS**  trans-73.3131.5174.9-178.50000110.2V327 L331V327-V329 PolarHBondContact O-N 3.22Å; V329-L331 PolarHBondContact O-N 3.44Å; V329-L331 VanDerWaalsContact O-N 3.16Å
330P48.4Very low43.3Very low116 Ų116136.7 Ų136.775%0.75379%0.793SS**  trans-62.6114.4-179.6-26.336.1000114.1R332P330-R332 VanDerWaalsContact C-N 3.33Å; P330-R332 PolarHBondContact O-N 3.32Å
331L47.7Very low43.2Very low150 Ų150135.8 Ų135.879%0.78580%0.797SS**SBendtrans-7170.8-176.6-67.8171.1000113.9V329V329-L331 PolarHBondContact O-N 3.44Å; V329-L331 VanDerWaalsContact O-N 3.16Å
332R55.3Low43.2Very low237 Ų237133.9 Ų133.989%0.89479%0.794SS**SBendtrans-139.622.6173.4-88.3-163.3-79.3169.1-5.1116.4P330P330-R332 VanDerWaalsContact C-N 3.33Å; P330-R332 PolarHBondContact O-N 3.32Å
333V45.5Very low43.5Very low148 Ų148135 Ų13590%0.89780%0.8SS**SBendtrans-13929.3168.5-150.60000112.8
334S39.4Very low43Very low94 Ų94132.7 Ų132.766%0.65780%0.802SS**  trans-13065.5-176.661.90000111.9
335A45.2Very low42.5Very low92 Ų92138.3 Ų138.376%0.7681%0.808SS**  trans-133.7154.1163.500000107.8
336V46.6Very low42Very low145 Ų145133.5 Ų133.588%0.87981%0.809SS**  trans7163.8-172.6-160.80000114.5
337I44.8Very low42.4Very low169 Ų169133 Ų13387%0.86780%0.796SS**  -128.1137.1127.9-58.7-176.6000106.1
338S35.8Very low41.9Very low105 Ų105133.8 Ų133.873%0.73480%0.797SS**  trans-84.3140.5-171.842.40000113.4N340S338-N340 PolarHBondContact O-N 3.27Å
339S38.6Very low41.4Very low116 Ų116136.6 Ų136.681%0.81180%0.795SS**  trans-74.6117.1166.7-480000109.7
340N35.5Very low40.8Very low156 Ų156136.5 Ų136.583%0.83479%0.787SS**  trans-16278.8168.2-105.6-17.6000112.9S338S338-N340 PolarHBondContact O-N 3.27Å
341S37.1Very low40Very low120 Ų120140.9 Ų140.984%0.83979%0.794SS**  trans-172.9135.315022.30000109.1
342T39.4Very low39.2Very low139 Ų139137.8 Ų137.885%0.85379%0.791SS**  trans-139.1-174.4-179.368.20000108.9
343P51.7Low38Very low117 Ų117131.4 Ų131.476%0.7679%0.788SS**  -122.3165.1-11128-6000115.1
344C32Very low37.7Very low137 Ų137130 Ų13093%0.92678%0.78SS**  trans-109.8150.8170.2-72.20000111.9
345R35.5Very low37.2Very low240 Ų240133 Ų13391%0.90679%0.788SS**  trans-142.7138.4-159.8176.3-173-176.5-171.43.5110.7
346G30.3Very low36.4Very low78 Ų78137.6 Ų137.680%0.80479%0.791SS**  trans-163.597.1175.300000114.3
347P50.5Low35.5Very low92 Ų92136.7 Ų136.760%0.59779%0.788SS**  trans-119.6-163.5-179.642.3-30.8000113.3
348N31.8Very low34.5Very low130 Ų130134.3 Ų134.370%0.69579%0.785SS**  trans81.8160.5162.5-73.30.6000117.7E350N348-E350 PolarHBondContact ND2-OE1 3.2Å
349K33.1Very low34.2Very low169 Ų169139.3 Ų139.374%0.73579%0.788SS**  cis-123-167.616.7-140.7-176.8-164.6-41.50115.4
350E32.5Very low33.4Very low116 Ų116141 Ų14154%0.54278%0.783SS.*  trans-126.5155.6-156.8-28.986.7-151.300115.6N348N348-E350 PolarHBondContact ND2-OE1 3.2Å
351K31.8Very low33.3Very low208 Ų208139.1 Ų139.190%0.90478%0.779SS**  trans-145.2145.4146-74-167.3-179.1-177.40109.6
352A30.8Very low32.6Very low86 Ų86138.2 Ų138.271%0.71177%0.769SS**  cis-165.699-26.800000109.9
353A30.7Very low31.9Very low102 Ų102138.9 Ų138.984%0.84376%0.762SS**  trans-162.848.3171.500000110.7
354T37.9Very low30.7Very low119 Ų119140.5 Ų140.573%0.7376%0.76SS**  72.292.485.8-55.50000113.2
355L29Very low30.3Very low156 Ų156138.4 Ų138.482%0.81775%0.746SS**  -168.4132.7129.2-101.4168.9000111.4
356K28.7Very low29.9Very low189 Ų189132 Ų13282%0.82274%0.738SS**  trans43.296159.7-61.1-68.5-177.2174.60119.8
357P27.3Very low29.8Very low127 Ų127134.9 Ų134.983%0.82573%0.731SS**  trans-87.5141.3155.434.5-31.1000112
358C25Very low28.8Very low118 Ų118137.3 Ų137.380%0.79773%0.732SS**  trans-158.4134.2161.4-135.70000113.8
359R28.7Very low28.6Very low210 Ų210138.8 Ų138.879%0.79273%0.732SS**  trans33139.4145-74.6-177.2168.1159.2-1123.2
360E21.7Very low28.6Very low153 Ų153140.6 Ų140.672%0.71574%0.74SS**  13.8153.1113-60164.512000119
361P33.5Very low28.4Very low116 Ų116139.5 Ų139.575%0.75375%0.745SS**  cis-111.9172.815.142.2-30.3000111.8
362T22.6Very low28.1Very low101 Ų101136.1 Ų136.162%0.6274%0.737SS**  cis68.9129.339.6-63.30000113
363E24.1Very low27.9Very low152 Ų152137.3 Ų137.371%0.7174%0.735SS**  trans68.9135.1158.4-82.4174.7-140.800124
364Q26.4Very low27.8Very low152 Ų152141.6 Ų141.671%0.7174%0.735SS**  trans74.4130.9133.6-72.8-171.956.400122.6
365S24.4Very low27.8Very low92 Ų92141.1 Ų141.164%0.64374%0.735SS**  trans73.1170.5148.190.50000115.7
366S26.9Very low27.5Very low105 Ų105140.9 Ų140.973%0.73473%0.733SS**  cis-129.7113.1-1.2-260000108.6
367H28.2Very low27.5Very low140 Ų140139.6 Ų139.665%0.64874%0.735SS**  92.714778.4-111.7-82.8000114.1
368F29.6Very low27.5Very low142 Ų142142.1 Ų142.162%0.62374%0.735SS**  trans67.1113.8149.1-68.2-35.7000121.3
369K27Very low27.9Very low161 Ų161141.8 Ų141.870%0.773%0.732SS**  45.6123.9111.2-59.7170.6-176.2171.50116.3
370K34.5Very low28Very low208 Ų208141.3 Ų141.390%0.90474%0.735SS**  -141.4145.782.9-90.4122.8-167.1174.60111.9
371S27.3Very low28.4Very low92 Ų92143.8 Ų143.864%0.64374%0.738SS**  trans-89.6-175.6166.758.50000109.5
372N26Very low28.2Very low137 Ų137144.4 Ų144.473%0.73373%0.731SS**  trans8994.8158.3-57.82000118.3
373T27.3Very low28.3Very low111 Ų111146.5 Ų146.568%0.68173%0.734SS**  73.8100.4103.8-58.90000119.4
374F28.8Very low28.5Very low192 Ų192141.6 Ų141.684%0.84272%0.724SS**  trans66.3168.6146.4-73-115.7000117.1
375P37.3Very low28.6Very low110 Ų110140.5 Ų140.571%0.71473%0.728SS**  cis-121.8174.7-6.536.9-20.6000115.2
376L22.7Very low28.8Very low151 Ų151142.9 Ų142.979%0.79173%0.729SS**  trans5.4142.7139.6-153.477.4000120.3
377L27.8Very low29.2Very low162 Ų162145 Ų14585%0.84872%0.724SS**  trans102.9147159.4-57.1-177.9000119.5
378E27.1Very low29.4Very low179 Ų179146.5 Ų146.584%0.83673%0.729SS**  trans-74.8175.1176.6-108.1-170-153.800112.5
379P34.6Very low29.4Very low112 Ų112147.6 Ų147.673%0.72774%0.736SS**  cis-142.8178.233.941.7-21.6000118.4
380K30.4Very low29.5Very low199 Ų199144.2 Ų144.287%0.86573%0.729SS**  trans-104.8132.1172.4179.5-177.7178.2-177.60111.5
381R28.9Very low29.2Very low206 Ų206142.2 Ų142.278%0.77772%0.723SS**  trans-150154.5167.4-76.7-175.4169.3-126.79.6107.5
382Q31Very low29.2Very low129 Ų129143.9 Ų143.960%0.60373%0.729SS**SBendcis-154156-14.7-107.5172.3-82.400104.8
383E25Very low29.4Very low145 Ų145143.9 Ų143.968%0.67873%0.728SS**  cis-146151.63.4-164.868.4-78.900106.3
384G27.2Very low29.4Very low48 Ų48144 Ų14450%0.49573%0.729SS.*  cis147.2-151.2-0.200000110.3
385T29.7Very low29.5Very low130 Ų130142.7 Ų142.780%0.79872%0.723SS**  trans66148.4175.775.90000115.3
386E28.1Very low28.9Very low141 Ų141147.5 Ų147.566%0.65973%0.727SS**  cis-156-169.1-17.8-122-144.7127.600111.5
387K33.9Very low29Very low149 Ų149146.4 Ų146.465%0.64873%0.726SS**  trans9.8123.2154.2-64.3169.6174.689.90117.7
388K32.7Very low28.7Very low173 Ų173143.9 Ų143.975%0.75272%0.722SS**  cis-167.8143.62-98.9-167.1176.9-172.10111.7
389H31.3Very low29.3Very low165 Ų165140 Ų14076%0.76471%0.712SS**  trans61.6149.5144.7-81.7-81.6000121.8
390T27.2Very low28.8Very low90 Ų90143.3 Ų143.355%0.55272%0.718SS**  cis-165.1150.7-10.2-146.50000114
391E28.7Very low28.6Very low165 Ų165138.2 Ų138.277%0.77170%0.7SS**  trans61.9172.1158.9-71.6146.7-105.300119.4
392V27.4Very low28.6Very low127 Ų127133 Ų13377%0.7768%0.683SS**  cis-162.3174.3-2.7111.50000109.1
393L31Very low28.6Very low138 Ų138130.2 Ų130.272%0.72367%0.672SS**  -174.8150.9-54.5-169.363000111.8
394T27.8Very low28.8Very low112 Ų112132.6 Ų132.669%0.68768%0.681SS**  trans64.5153.3159.236.70000122.2
395F29.3Very low28.9Very low165 Ų165139.1 Ų139.172%0.72470%0.696SS**  cis-172160-26.1-128.6-140.2000112.8
396R25.1Very low28.7Very low211 Ų211138.6 Ų138.680%0.79669%0.692SS**  trans32.6163.8142.8-73-164.2176.4-165.8-0.8123.7
397V24.9Very low28.5Very low129 Ų129139 Ų13978%0.78270%0.698SS**  cis-166.5176.8-12.3133.10000111.2
398S22.2Very low28.2Very low109 Ų109139.1 Ų139.176%0.76270%0.701SS**  trans-69.7-170.3173.2-120.90000115.1
399P39.1Very low27.9Very low96 Ų96138.1 Ų138.162%0.62370%0.696SS**  cis-149.7-167.528.446.1-23.2000119
400E25Very low27.8Very low183 Ų183134.9 Ų134.986%0.85569%0.685SS**  trans26.1165.5139.6-68.1166.7154.300124.5
401D25.9Very low27.8Very low92 Ų92138.9 Ų138.949%0.49270%0.697SS.*  cis-177153.8-28-170.335.4000110.9
402K29.6Very low27.7Very low96 Ų96134 Ų13442%0.41769%0.692SS.*  trans65.4136.5156.7-81.4177.8-17198.90128.1L932 E933K402-L932 WeakPolarHBondContact CE-O 3.39Å; K402-E933 WeakPolarHBondContact CA-O 3.29Å; K402-E933 PolarHBondContact N-O 2.83Å
403D29Very low27.7Very low70 Ų70134.6 Ų134.637%0.37470%0.695SS.*  trans49.9137.5141.4-51.1-22.4000127N934D403-N934 PolarHBondContact N-ND2 2.98Å
404K31.1Very low27.6Very low195 Ų195136.8 Ų136.885%0.84870%0.699SS**  176.5123.5119-92.1148-159.6130.30118.2
405K28.3Very low27.6Very low186 Ų186138.6 Ų138.681%0.80970%0.703SS**  57.3136.4130-85.6-170.2174-178.40126.2
406T25.2Very low27.4Very low118 Ų118136.4 Ų136.472%0.72470%0.703SS**  trans83.4109.6133.847.60000125.8
407L24.5Very low27.6Very low149 Ų149131.5 Ų131.578%0.7870%0.701SS**  82.9120.3109.2-154.392000122.7
408Q28.1Very low27.6Very low153 Ų153133.5 Ų133.572%0.71570%0.699SS**  142.2144.2110.8-143-176.296.600117
409K25.5Very low27.8Very low151 Ų151133.5 Ų133.566%0.65769%0.69SS**  trans88.8123.3152.3-79.7-140.2146.5-145.50124.4
410N28.5Very low27.1Very low97 Ų97136.7 Ų136.752%0.51970%0.696SS.*  trans73.5112.9133.7-68.335.5000119.2
411E26.9Very low27.1Very low174 Ų174135.9 Ų135.981%0.81369%0.692SS**  89.4134.472.9-79.3173.2145.400112.1
412G26.9Very low27.1Very low64 Ų64139.2 Ų139.266%0.6671%0.709SS**  cis-155.9164.85.600000112.8
413V28.4Very low27.6Very low139 Ų139140.4 Ų140.484%0.84273%0.727SS**  75.1124.570.2169.80000110.9
414K28.6Very low27.2Very low183 Ų183144.1 Ų144.180%0.79675%0.747SS**  cis-176.8-174.26.4178.7-174.2-172.8179.30109.2
415I27.6Very low27.6Very low150 Ų150138.9 Ų138.977%0.76973%0.733SS**  trans92.3140155.6-55.1174.6000117.2
416V25.9Very low27.4Very low120 Ų120138.5 Ų138.573%0.72773%0.734SS**  cis-170.7152.7-36.2820000111.3
417S27.7Very low27.5Very low107 Ų107141.4 Ų141.475%0.74874%0.737SS**  trans68.6166.3153.178.40000120.4
418K26.8Very low27.7Very low171 Ų171139 Ų13974%0.74373%0.732SS**  cis177.5154.2-25.9174.1-176.5-176.4-134.30111.2
419L25.4Very low27.5Very low109 Ų109140.1 Ų140.157%0.57174%0.737SS**  trans68.4154.4164.7-91.125.1000118.3
420E23.6Very low27.7Very low163 Ų163139.7 Ų139.776%0.76274%0.742SS**  cis77.2142.740.9-121.7172.2172.500112.2
421E25.5Very low27.9Very low166 Ų166142.3 Ų142.378%0.77675%0.749SS**  cis-128.4171.313.3-68.9156.7101.700110.4
422L25.8Very low28Very low162 Ų162139.7 Ų139.785%0.84874%0.74SS**  50.7152.664.6-100.878.4000115.7
423P39.6Very low28Very low121 Ų121142.5 Ų142.579%0.78675%0.745SS**  cis-138.3-171.721.843.5-23.8000118.8
424N21.7Very low27.9Very low148 Ų148142.1 Ų142.179%0.79174%0.743SS**  trans-67.2-172.6170-1396.9000112.4
425P38.8Very low28.7Very low86 Ų86138.8 Ų138.856%0.55874%0.74SS**  cis-143.7-167.3-3.644.9-25000117.4
426Q25.2Very low28.7Very low177 Ų177136.8 Ų136.883%0.82774%0.739SS**  trans71.3164.7157.3-70.8175.3-101.500119.3
427K26.4Very low28.8Very low180 Ų180136.5 Ų136.578%0.78374%0.743SS**  cis-173.8166.9-43.1-151.6-172.8-178.3-164.90107.5
428S27.8Very low28.8Very low97 Ų97134.5 Ų134.568%0.67874%0.739SS**  trans62.4160.7169.534.90000116.3
429E26Very low29Very low178 Ų178134.6 Ų134.683%0.83274%0.742SS**  cis-160.6163.9-21.3-110.3161.1172.400109.2
430D29.2Very low29.1Very low142 Ų142135.5 Ų135.576%0.75975%0.748SS**  trans49.8131.9150-93.910.4000125.7
431K32.8Very low29.5Very low151 Ų151133.1 Ų133.166%0.65774%0.739SS**  83.4115.6124.8-71.2-76.6-178.6-174.10125.2
432D28.4Very low29.7Very low119 Ų119133.5 Ų133.564%0.63674%0.74SS**  54.2128.9126.6-60.9-3.4000123.8
433T26.8Very low29.7Very low123 Ų123132.8 Ų132.876%0.75574%0.737SS**  trans87.7102.5145.2-45.70000121.5
434V26.1Very low29.2Very low131 Ų131134.4 Ų134.479%0.79474%0.739SS**  34.6149.7110-179.90000119.6
435P45.7Very low29.4Very low113 Ų113133.6 Ų133.673%0.73474%0.739SS**  cis-129-162.5-6.137.3-17.1000114.2
436S27.2Very low28.9Very low109 Ų109137.1 Ų137.176%0.76275%0.746SS**  154.5140.7106-156.60000118.6
437S28.3Very low29.1Very low114 Ų114134.1 Ų134.180%0.79774%0.735SS**  trans68.2140.1145.6-154.60000124.6
438G27.5Very low29.3Very low65 Ų65131.3 Ų131.367%0.6773%0.733SS**  trans151.979.3147.900000119.8
439E30.3Very low29.5Very low172 Ų172134.5 Ų134.580%0.80474%0.737SS**  trans46151.2131-67.5166.9-159.700123.1
440D28.6Very low29.8Very low129 Ų129133.2 Ų133.269%0.6974%0.736SS**  cis-167.8147.8-27.4-115.9-2000114
441I32.6Very low29.7Very low113 Ų113133.2 Ų133.258%0.57974%0.736SS**  trans43.2141.2144.5-38.9153.8000123
442H28.7Very low29.5Very low173 Ų173132.3 Ų132.380%0.80174%0.742SS**  161.4151.9122.2-80.1-63.9000115.9
443N26.8Very low29.3Very low148 Ų148129.8 Ų129.879%0.79175%0.745SS**  trans-146.3145.6-154.7-94.5-48.5000116.4
444L27.4Very low30.2Very low155 Ų155130.2 Ų130.281%0.81275%0.75SS**  57.4165.2129.9-153.264.1000123.4
445T26.8Very low30.3Very low131 Ų131128.5 Ų128.580%0.80475%0.749SS**  trans116.9143.2157.5-52.30000116.5
446K28.6Very low29.6Very low160 Ų160128.4 Ų128.470%0.69676%0.758SS**  cis-162.4-143.1-43.6-127.7-166.6167.6-68.70113.2
447D29.1Very low29.6Very low114 Ų114126.5 Ų126.561%0.6176%0.755SS**  trans-137.2173.9-157.522.7-122.2000114.6
448T30.8Very low29.8Very low121 Ų121131 Ų13174%0.74276%0.761SS**  cis-171.1-179.6-13.2-174.40000112.3
449Q31.8Very low30Very low163 Ų163134.5 Ų134.576%0.76277%0.769SS**  trans67.7162.4169.6-68.7-179.2000118.6
450L32.6Very low29.9Very low152 Ų152134 Ų13480%0.79677%0.771SS**  cis-145.6178.923.7-77.6168.3000110.1
451D26Very low29.8Very low142 Ų142139.5 Ų139.576%0.75978%0.782SS**  cis-175.6-172.3-26.6-178.736.4000109.7
452V29.1Very low29.6Very low131 Ų131138.9 Ų138.979%0.79479%0.788SS**  trans89119.3172.5-171.50000117.1
453G24.2Very low29.6Very low67 Ų67137 Ų13769%0.69178%0.784SS**  trans-111.8-147.8-178.200000114.9
454P46.3Very low29.6Very low132 Ų132136.4 Ų136.486%0.85778%0.78SS**  cis-133.5174.57.443.2-27.9000116.3
455A28Very low29.8Very low94 Ų94136.8 Ų136.878%0.77778%0.777SS**  143.2132129.700000116.1
456A30Very low29.9Very low111 Ų111140 Ų14092%0.91778%0.783SS**  trans59147161.400000120
457G28.9Very low30.2Very low69 Ų69140.7 Ų140.771%0.71179%0.789SS**  trans161.6-93.7171.300000115.4
458K31.7Very low30.2Very low210 Ų210142.3 Ų142.391%0.91380%0.797SS**  trans63.179.3-173-60.2-174179.8-1760115.9
459T31.1Very low30.1Very low138 Ų138144.7 Ų144.785%0.84780%0.797SS**  trans-152.6146.8153.517.40000110.7
460L29Very low30Very low160 Ų160144.4 Ų144.484%0.83880%0.799SS**  trans65.8134.6-178.6-115.268.4000116.5
461W25.8Very low29.8Very low245 Ų245143 Ų14393%0.92880%0.797SS**  trans-133.6147.5161-92.167.4000107.1
462S29.2Very low30.4Very low100 Ų100144.2 Ų144.270%0.69980%0.798SS**  trans-150.6140.1166.9-61.60000107
463D28.3Very low30.8Very low134 Ų134143.7 Ų143.772%0.71780%0.797SS**  trans62.2162.4-179.8-56.3-30.6000115.3
464L27.3Very low31.2Very low135 Ų135147.5 Ų147.571%0.70780%0.797SS**  cis-146.3162.27.1-162.962.1000112
465H31.5Very low30.6Very low164 Ų164147.4 Ų147.476%0.75979%0.788SS**  trans-0139.9167.8-58.2-53000122.2
466Q28.3Very low30.7Very low198 Ų198148.8 Ų148.893%0.92578%0.782SS**  trans-148.7147.2130.8-145.1151.280.600111.3
467E34.3Very low30.7Very low174 Ų174150 Ų15081%0.81377%0.772SS**  trans-87.7-169.2179.1-64.6-179.590.600112.6
468L29.5Very low30.9Very low148 Ų148154.1 Ų154.178%0.77578%0.777SS**  trans86.9136.2169.2-51171.4000115.2
469K28.8Very low30.9Very low171 Ų171153.1 Ų153.174%0.74378%0.775SS**  cis-168.7171.9-20.2-135.3-178.1-166.4178.10108.7
470I29.4Very low30.7Very low158 Ų158155.8 Ų155.881%0.8178%0.775SS**  trans74.9142.9164.6-59.2145.8000115.8
471T28.2Very low30.9Very low123 Ų123153.1 Ų153.176%0.75577%0.766SS**  cis-162.7154.9-36.5-70.70000105.3
472E39.6Very low30.9Very low167 Ų167151 Ų15178%0.7876%0.764SS**  trans-68167.9172.9-61.6-178.1118.200113
473P38.3Very low31.2Very low119 Ų119151.6 Ų151.677%0.77375%0.754SS**  -141.6123.599.734.7-19.6000115.6
474E31.6Very low31.3Very low147 Ų147151.5 Ų151.569%0.68776%0.76SS**  50.5114.2109.9-95.6-158.8146.700122.2
475I34.4Very low31.1Very low131 Ų131150.2 Ų150.267%0.67276%0.758SS**  trans56.2156.9131.962.3151.4000121.6
476N28.6Very low31Very low123 Ų123152 Ų15266%0.65876%0.764SS**  cis-156.4173.8-5.8-124.3-30.3000112.9
477L31.1Very low30.8Very low135 Ų135147.4 Ų147.471%0.70776%0.76SS**  trans31.9128.5151-91.866000121.2
478L33Very low31.1Very low156 Ų156144.9 Ų144.982%0.81776%0.761SS**  -177.9134.396-96.9-178.1000113.6
479H30.7Very low31Very low189 Ų189144 Ų14488%0.87576%0.762SS**  trans-100.9120.5160.7-103.5-101.1000109.5
480K28.7Very low31.1Very low194 Ų194139.4 Ų139.484%0.84375%0.752SS**  trans-166.9128.2152.4-115.8165.6-176.6175.30114.4
481T32.1Very low31.2Very low105 Ų105137.6 Ų137.664%0.64475%0.748SS**  trans29.9123142.2-430000120.5
482F26.8Very low31.3Very low200 Ų200137.8 Ų137.888%0.87774%0.739SS**  179.8151.1110.5-101-70.2000113.1
483K34.4Very low30.8Very low112 Ų112137.2 Ų137.249%0.48774%0.74SS.*  trans-70.7162.7161.5-66.4-173.3178.7-176.40109.5E674K483-E674 IonicContact NZ-OE1 2.65Å; K483-E674 PolarHBondContact NZ-OE1 3Å; K483-E674 IonicContact NZ-OE2 2.77Å; K483-E674 PolarHBondContact NZ-OE2 3.17Å
484P31Very low30.4Very low132 Ų132138.2 Ų138.286%0.85774%0.744SS**  -146.5-168108.840-24.8000114.6
485V23.4Very low30.5Very low109 Ų109139.5 Ų139.566%0.66175%0.752SS**  trans-135.2145.5-163.11160000110.3
486F28.8Very low30.2Very low201 Ų201140.5 Ų140.588%0.88276%0.759SS**  trans48.7137.4159.5-75.9-123.9000122
487A23.5Very low30.4Very low102 Ų102139.9 Ų139.984%0.84376%0.759SS**  trans-166.6137.9132.600000112
488S40.6Very low30.3Very low120 Ų120142.5 Ų142.584%0.83977%0.765SS**  trans-165.6115.7166.5-166.20000112.6
489T29.1Very low30.2Very low129 Ų129140.5 Ų140.579%0.79176%0.764SS**  trans-168.9165.9178.137.50000110.4
490S29.6Very low30.3Very low75 Ų75140.6 Ų140.652%0.52476%0.762SS.*  cis-174.7166.4-34.6810000108.9
491T31.5Very low30.4Very low121 Ų121141.4 Ų141.474%0.74276%0.76SS**  cis-122-85.8-7.931.30000112.2
492K29.7Very low30.3Very low127 Ų127140.9 Ų140.955%0.55276%0.761SS**  cis-15578-11.1-163.8166.7-177170.70114E650K492-E650 IonicContact NZ-OE1 2.56Å; K492-E650 PolarHBondContact NZ-OE1 2.94Å
493L30.6Very low30.6Very low154 Ų154142 Ų14281%0.80676%0.759SS**  trans72.2147.1156.5-52.4176.5000118.2
494T30.3Very low30.4Very low141 Ų141141.7 Ų141.787%0.86577%0.771SS**  -148.6168.953.935.90000115.8
495M32.8Very low30.6Very low173 Ų173140.8 Ų140.885%0.85277%0.768SS**  trans-92.1160.2176.6-58.1175.766.200112.3
496D28Very low31.2Very low153 Ų153141.4 Ų141.482%0.81877%0.774SS**  175.8-176.5105.4-146.7-27.7000112.1
497V33Very low31.1Very low109 Ų109136.9 Ų136.966%0.66177%0.767SS**  trans90.788.8159.8-162.50000119.8
498K29.6Very low31.4Very low191 Ų191139.6 Ų139.683%0.8377%0.767SS**  trans59116.7133.6-61172.5-173.5161.80121.2
499S30.6Very low30.9Very low114 Ų114138.2 Ų138.280%0.79776%0.757SS**  trans-54.7139.9152.7169.50000114
500K32.3Very low30.9Very low190 Ų190139 Ų13983%0.82676%0.755SS**  trans-160.3123.2135.2-116.4-178.4-171.6177.20115.6
501R31Very low31.1Very low211 Ų211142.5 Ų142.580%0.79677%0.768SS**  70.7122.7129.2177.4179.3-106-160.6-3.8120.5
502S30Very low30.9Very low95 Ų95141.7 Ų141.766%0.66477%0.766SS**  trans74.6159.6147.5-76.30000119.4
503R32.5Very low30.8Very low222 Ų222144.5 Ų144.584%0.83878%0.778SS**  cis-169.5157.4-29.4-114.3-178.3172.4-174.3-3.9107.6
504S30.2Very low30.6Very low106 Ų106145 Ų14574%0.74178%0.776SS**  trans44.6118.2152.358.90000120.1
505S35.3Very low30.7Very low113 Ų113144.3 Ų144.379%0.7978%0.775SS**  trans-65.3152.6152.645.10000112.2
506P35.5Very low30.5Very low123 Ų123140.8 Ų140.880%0.79977%0.767SS**  trans-107.9132.9158.534.5-26.4000111.6
507S28.1Very low30.4Very low105 Ų105139.2 Ų139.273%0.73477%0.768SS**  trans-101.9-179.7159.8-64.50000109.5
508L29.3Very low30.1Very low160 Ų160141.2 Ų141.284%0.83878%0.775SS**  trans78.1116.9178.8-45.1176.3000112.9
509S29.6Very low30Very low90 Ų90136.5 Ų136.563%0.62977%0.771SS**  cis84.714039.8840000114.9
510L30.3Very low29.9Very low145 Ų145135.6 Ų135.676%0.75977%0.765SS**  160.5144.9124.1-84.4-170.4000114
511L32Very low29.8Very low149 Ų149134.6 Ų134.678%0.7877%0.768SS**  trans59.9155.9153.3-87.159.5000118.8
512C27.7Very low29.7Very low105 Ų105127.6 Ų127.671%0.70976%0.761SS**  cis-132.5154-14.7-93.40000106.7
513K27.8Very low29.6Very low186 Ų186130.6 Ų130.681%0.80977%0.765SS**  cis76.379.441.8-146.8178.5-170.5-176.80115.7
514E26.8Very low29.4Very low163 Ų163127.4 Ų127.476%0.76275%0.753SS**  trans29.6124.2131-174.1179.5-147.300120.1
515P31.4Very low29.4Very low128 Ų128126.2 Ų126.283%0.83174%0.74SS**  trans-94.5135.6158.335.2-28.2000112
516S28.9Very low29Very low98 Ų98127.4 Ų127.469%0.68574%0.743SS**  trans-115.2138.6166.352.30000110.7
517S26.3Very low28.6Very low120 Ų120125.5 Ų125.584%0.83974%0.738SS**  trans-92.3156.4169.354.20000110.6
518N26.6Very low28.6Very low151 Ų151128.1 Ų128.181%0.80774%0.744SS**  trans-149.9152.5-175-107.1-54.8000112.1
519A28.1Very low28.7Very low92 Ų92130.2 Ų130.276%0.7674%0.741SS**  trans67.8155164.700000118.1
520S28.3Very low29.3Very low96 Ų96131.4 Ų131.467%0.67175%0.746SS**  cis-175.6176.7-23.558.40000111
521L30.4Very low29.2Very low169 Ų169129.6 Ų129.689%0.88574%0.738SS**  trans67.3162.6167-94.565.2000116.6
522G27.8Very low29.1Very low63 Ų63126.7 Ų126.765%0.64973%0.729SS**  cis175.9127.1-6.600000109.3
523E28.4Very low29.3Very low158 Ų158130.7 Ų130.774%0.73874%0.735SS**  91.5142.891.2-150.8-155.6129.400115
524R29.2Very low29.6Very low156 Ų156133.2 Ų133.259%0.58974%0.739SS**  trans77.3141.3175.7-53.7-170-177.3-174.94.8117.4S294S294-R524 PolarHBondContact O-NH2 2.91Å
525V29Very low29.9Very low80 Ų80134.9 Ų134.949%0.48574%0.744SS.*  cis112.3106.17175.30000114.6
526T27.2Very low29.8Very low138 Ų138136.8 Ų136.885%0.84774%0.742SS**  trans60.6144.1165.357.20000118
527A27.2Very low30.4Very low84 Ų84137.3 Ų137.369%0.69474%0.743SS**  cis-153.6-168.521.700000113.7
528N27.5Very low30.9Very low160 Ų160136.9 Ų136.986%0.85674%0.74SS**  trans78.795.1163.3-60.3-8.6000120.4
529R31.4Very low31.1Very low203 Ų203138.5 Ų138.577%0.76674%0.742SS**  trans-61.6150.6145.7176.6178.7-179.8-172.3-4.6109.5D531R529-D531 IonicContact CZ-OD1 3.84Å; R529-D531 VanDerWaalsContact CZ-OD1 3.24Å; R529-D531 IonicContact NE-OD1 3.54Å; R529-D531 PolarHBondContact NE-OD1 3.26Å; R529-D531 IonicContact NE-OD2 2.84Å; R529-D531 IonicContact NH2-OD1 2.7Å; R529-D531 PolarHBondContact NH2-OD1 3.49Å; R529-D531 IonicContact NH2-OD2 3.99Å
530P42.4Very low31.3Very low115 Ų115139.8 Ų139.875%0.74775%0.746SS**  cis-135.5175.745.816.212.1000116.7
531D28.2Very low31.4Very low108 Ų108142.1 Ų142.158%0.57875%0.751SS**  cis-160.1173.3-13.8-119.6-31000113R529R529-D531 IonicContact CZ-OD1 3.84Å; R529-D531 VanDerWaalsContact CZ-OD1 3.24Å; R529-D531 IonicContact NE-OD1 3.54Å; R529-D531 PolarHBondContact NE-OD1 3.26Å; R529-D531 IonicContact NE-OD2 2.84Å; R529-D531 IonicContact NH2-OD1 2.7Å; R529-D531 PolarHBondContact NH2-OD1 3.49Å; R529-D531 IonicContact NH2-OD2 3.99Å
532S31.4Very low31.4Very low87 Ų87140.6 Ų140.661%0.60874%0.743SS**  trans101.5129.2148.687.90000121.4
533K31.2Very low31.5Very low189 Ų189144.3 Ų144.382%0.82275%0.747SS**  trans63.6133.6155.1-60.6157.8-173.4170.20116.9
534R34.4Very low31.4Very low240 Ų240145.3 Ų145.391%0.90675%0.749SS**  cis-148.3168.3-1.8-105174.5176.4171.4-2.3108.8
535K32.1Very low31.3Very low198 Ų198143.3 Ų143.386%0.86176%0.758SS**  trans-68.7140179.9-60.7177.4-177.9-177.90111
536Q30.4Very low31.2Very low168 Ų168145.1 Ų145.179%0.78577%0.769SS**  60.9143.368.1-86.7-90.7-30.100113.3
537P41.8Very low31.3Very low109 Ų109145.9 Ų145.971%0.70876%0.763SS**  cis-135.1-178.622.244.3-28.3000117.7
538S36Very low31.5Very low110 Ų110149.9 Ų149.977%0.76976%0.764SS**  trans-129.9114.1148.6-79.10000108.8
539E29.8Very low31.6Very low185 Ų185148.2 Ų148.286%0.86476%0.755SS**  trans-170.3159.8157.5-119.1164.5-148.400110.1
540S34Very low31.4Very low119 Ų119147.1 Ų147.183%0.83276%0.756SS**  trans-127.698.5167.6610000108.2
541D28.9Very low30.5Very low145 Ų145147.5 Ų147.578%0.77575%0.752SS**  trans-90.2179.2-178-1597.6000112.2
542L31.9Very low30.4Very low138 Ų138147.4 Ų147.472%0.72376%0.755SS**  trans-95.9150.8-151.6-76.3165.3000116
543L29Very low30.2Very low141 Ų141152.4 Ų152.474%0.73877%0.769SS**  trans68.4119.5144.2-67.6163.1000121.1
544F26.3Very low30.1Very low179 Ų179150.6 Ų150.679%0.78577%0.767SS**  trans79.6159.8136.6-104.2-100.8000121.7
545C27.2Very low29.9Very low114 Ų114143.8 Ų143.877%0.7776%0.756SS**  trans77.4114.3-176.8-58.80000114.7
546V27.5Very low29.7Very low118 Ų118140 Ų14072%0.71575%0.754SS**  cis88.6130.437.9178.50000112.6
547H28.9Very low29.6Very low154 Ų154136 Ų13671%0.71375%0.75SS**  trans64.1121.7-163.8-83.9-118.9000113.7
548K30.8Very low29.2Very low168 Ų168138.3 Ų138.373%0.7376%0.756SS**  cis79.7131.143.9-75-170.3172.9-177.10114.2
549N29.4Very low28.8Very low125 Ų125139.9 Ų139.967%0.66876%0.755SS**  trans86.2119.2142.9-78.329.7000119.2
550F28.8Very low29Very low179 Ų179135 Ų13579%0.78575%0.747SS**  trans68153.8153.3-76.7-115.6000118
551D23.6Very low28.9Very low124 Ų124137.7 Ų137.766%0.66374%0.744SS**  cis-169.5167.2-46-128.4-30.7000108
552V25.4Very low28.9Very low105 Ų105136.6 Ų136.664%0.63673%0.734SS**  trans28.1105.9151.5-175.60000117.9
553Q26.9Very low28.7Very low193 Ų193137.8 Ų137.890%0.90273%0.733SS**  -127.4100.9112.4-92.2-166.7-5.700110
554I30Very low28.7Very low151 Ų151138.6 Ų138.677%0.77474%0.738SS**  trans-93.4125.3154.8-66.4174000105.8
555S29.4Very low28.5Very low97 Ų97138.8 Ų138.868%0.67874%0.738SS**  trans-121.496.7175.159.50000110.5
556S27.8Very low29.1Very low117 Ų117138.9 Ų138.982%0.81874%0.737SS**  trans64.1145.6173.769.80000116.9
557A28.7Very low28.9Very low86 Ų86140.3 Ų140.371%0.71174%0.74SS**SBendcis-135.8160.68.900000113.2
558L32.5Very low28.8Very low156 Ų156141 Ų14182%0.81774%0.743SS**  trans71.282168-50.7-174.9000116.3
559D27.3Very low28.7Very low143 Ų143142.2 Ų142.277%0.76575%0.749SS**  19.9128.2126.8-63.8-82.1000118.7
560A34.6Very low28.5Very low84 Ų84140.8 Ų140.869%0.69475%0.748SS**  65.9142.964.200000113
561K31.7Very low28.6Very low175 Ų175136.4 Ų136.476%0.76175%0.745SS**  cis-151.8168.321.9-150.7168.8-177.1175.70111.2
562E28.4Very low30Very low121 Ų121134.5 Ų134.557%0.56574%0.74SS**  trans11.7134.6153.2-72.3177.283.600118.6
563K28.4Very low30.2Very low163 Ų163133.6 Ų133.671%0.70974%0.743SS**  178.4174.757.2-131.5152.4-177.2131.70111.6
564L28.2Very low30.3Very low159 Ų159131.7 Ų131.783%0.83273%0.729SS**  trans76.7164.2151.5-74.9162.6000121.3
565K22.6Very low30.3Very low183 Ų183129.8 Ų129.880%0.79672%0.724SS**  trans-82.6-176.4170.7-40.4170.7-177.5173.10109.7
566P39.9Very low30.6Very low115 Ų115129.6 Ų129.675%0.74772%0.723SS**  cis-127.4-142.6-48.930.6-8.3000108.9
567L23.2Very low30.8Very low148 Ų148132.5 Ų132.578%0.77572%0.724SS**  trans86.8114.2142.4-162.867.8000119.2
568H26.7Very low31.5Very low168 Ų168135 Ų13578%0.77873%0.73SS**  trans18.4123139.4-93.6-93.4000118.9
569K28.8Very low31.3Very low195 Ų195132.6 Ų132.685%0.84873%0.733SS**  -171.2166.7103.8-103.5160.4-173.7178.20115.2
570S26.6Very low31.3Very low95 Ų95136.4 Ų136.466%0.66474%0.736SS**  trans-41.1154.8166.354.70000114.4
571A30.9Very low31Very low87 Ų87141.7 Ų141.772%0.71974%0.738SS**  cis60.3161.446.400000113.3
572P52.3Low31Very low84 Ų84140.4 Ų140.455%0.54574%0.735SS.*  cis-130.9-176.6-1642.1-26.8000113.3T779P572-T779 HydrophobicContact CG-CG2 3.55Å
573A29.6Very low30.9Very low86 Ų86141.1 Ų141.171%0.71175%0.747SS**  trans-163.6140.3143.100000107.5
574Y29.3Very low30.8Very low152 Ų152145.1 Ų145.160%0.59676%0.758SS**  cis64.9129.238.3-78.6-107000114.2T778Y574-T778 HydrophobicContact CE2-CG2 4.12Å
575T30.4Very low30.8Very low111 Ų111141.1 Ų141.168%0.68175%0.748SS**  cis-167.2162.4-18.710.10000109.6
576S35.3Very low31.1Very low93 Ų93140 Ų14065%0.6575%0.751SS**  trans50.9124143.966.10000123.3
577Q32.1Very low30.8Very low179 Ų179139.3 Ų139.384%0.83675%0.748SS**  trans80.1116.2131-70.8-178.1-6.600123
578V42.7Very low31.4Very low139 Ų139137.4 Ų137.484%0.84274%0.742SS**  58.5113.3126.6-173.70000119.9
579A28.5Very low31.7Very low105 Ų105139.6 Ų139.687%0.86874%0.743SS**  trans-142.8168.9153.700000111.7
580R27.4Very low31.6Very low222 Ų222136.9 Ų136.984%0.83874%0.738SS**  trans-92.5156.6-160.3-95.9172.8163.5167.3-6.2116.4
581R28.6Very low33Very low195 Ų195138.2 Ų138.274%0.73675%0.745SS**  trans83.4122.4137.8-82.3-178.7148.4155.50.7123.4
582E31.1Very low33.5Very low148 Ų148142 Ų14269%0.69275%0.752SS**  trans56.2115.7130.2-61.3174.29400119.7
583T27.1Very low32.6Very low136 Ų136144.7 Ų144.783%0.83477%0.767SS**  -164.3138.182.814.30000116.1
584R26.4Very low32.8Very low247 Ų247148 Ų14893%0.93277%0.771SS**  trans61.6138.8140.3-145.1177.3-173.8156.42.5123.4
585A27.6Very low33Very low76 Ų76148.5 Ų148.563%0.62878%0.779SS**  trans93.5112.8150.200000121.3
586D29.1Very low33Very low159 Ų159150.2 Ų150.285%0.8578%0.784SS**  70.6142.8126.1-65.5-16.4000122.9
587C34.3Very low33Very low100 Ų100149.5 Ų149.568%0.67678%0.784SS**  cis-170.3140.3-9.3177.60000113
588V34Very low33.6Very low109 Ų109146.6 Ų146.666%0.66178%0.78SS**  trans68.8150.6150.6150.80000119.3
589R33.2Very low32.8Very low213 Ų213148.5 Ų148.580%0.80478%0.78SS**  cis-138.21645.2-142.6159.1-92.1164.90.8108
590N28.3Very low32.6Very low138 Ų138149.5 Ų149.574%0.73878%0.775SS**  cis-126.6171.721.3-58.9-31.2000113.2
591P55.2Low32.6Very low123 Ų123143.3 Ų143.380%0.79977%0.772SS**  -143.4-171.4120.140-25.7000115.7
592L42Very low32.5Very low166 Ų166137.6 Ų137.687%0.86976%0.762SS**  trans-55.5159.8-164.6-75.360.4000119.6
593T32.1Very low32.4Very low141 Ų141139.5 Ų139.587%0.86577%0.768SS**  trans-131.7175.4157550000110
594I35Very low32.5Very low157 Ų157137.2 Ų137.281%0.80576%0.758SS**  trans-158.5168.4-160.9-163.3169.7000113.6
595E33.8Very low32.6Very low162 Ų162132.2 Ų132.276%0.75775%0.749SS**  trans95.1150.6159.2-76.3-62175.700124.2
596D30.2Very low32.8Very low146 Ų146133.2 Ų133.278%0.78175%0.751SS**  trans68.3163.3149.9-123.4-28.9000125.8
597A34Very low32.8Very low79 Ų79129.5 Ų129.565%0.65374%0.743SS**  trans-109-152172.300000109.1
598P45.6Very low32.7Very low117 Ų117130.3 Ų130.376%0.7674%0.74SS**  cis-130.7-171.1-16.340.9-22.5000114.3
599Q24.7Very low32.6Very low180 Ų180133.6 Ų133.684%0.84174%0.741SS**  trans13.8127.3158.4-77.4-170.2-5.500123.6
600V25.8Very low32.5Very low126 Ų126131.2 Ų131.276%0.76474%0.739SS**  90.6121.2128.4172.70000121.8
601A27.3Very low32.6Very low92 Ų92129.3 Ų129.376%0.7674%0.736SS**  trans67.8162.7155.200000118.5
602S26.9Very low31.4Very low75 Ų75130.1 Ų130.152%0.52473%0.729SS.*  cis-157.7165.910.4-162.80000113.6
603F28.9Very low30.7Very low187 Ų187129.2 Ų129.282%0.8272%0.719SS**  trans68.2147.6165.6-44.7-60.1000116.5
604S28.6Very low30.4Very low89 Ų89128.8 Ų128.862%0.62271%0.707SS**  cis-179.8159.9-12.3-94.90000106.6
605D28.9Very low30Very low141 Ų141128.7 Ų128.775%0.75470%0.703SS**  cis-171.8168.5-15.7-112.2-63.7000106.7
606S31.4Very low29.8Very low97 Ų97127.9 Ų127.968%0.67870%0.704SS**  cis-158.3-178.4-3.557.80000109.6
607A28.5Very low29.6Very low81 Ų81125.9 Ų125.967%0.66970%0.697SS**  trans68.6140.3162.100000118.6
608D31.7Very low29.2Very low117 Ų117130.9 Ų130.963%0.62670%0.704SS**  cis-174.6145.6-4.5-11210.4000108
609R33.5Very low28.3Very low179 Ų179132.3 Ų132.368%0.67570%0.704SS**  cis-156.1159.2-15.3-59.1-173.6176.8-98.5-29.3109.8
610Q31.1Very low28.4Very low163 Ų163128.4 Ų128.476%0.76270%0.696SS**  trans62.8162.4139.6-80.9172.2-63.400119.4
611S30.1Very low28.6Very low97 Ų97131 Ų13168%0.67870%0.7SS**  cis-173.7160.8-6.843.80000108
612E29.6Very low28.9Very low140 Ų140134.4 Ų134.465%0.65471%0.705SS**  cis-168.8169-4.8-120.6-157.2126.500109.7
613K27.7Very low29.2Very low147 Ų147138.5 Ų138.564%0.63972%0.716SS**  trans64.3166.1149.1-76.6-177.4172.779.10119
614Q26Very low29.5Very low132 Ų132134 Ų13462%0.61770%0.704SS**  cis-163.2170.5-27177.2164.7-7.900109
615E25.3Very low29.8Very low156 Ų156138.7 Ų138.773%0.72971%0.713SS**  trans-53.7162.7164.2-48.1134.6120.100113
616D29.2Very low30Very low145 Ų145141.1 Ų141.178%0.77572%0.717SS**  -166-169.7100.8-139.4-37.7000112.8
617T26.3Very low29.8Very low103 Ų103141.6 Ų141.663%0.63272%0.72SS**  trans-138.6160.3-152.4-22.40000112.9
618K25.9Very low29.9Very low184 Ų184144 Ų14480%0.873%0.727SS**  trans75.7158.4149.8-86.9167.7-179.9169.50120.4
619I27.1Very low29.8Very low147 Ų147145.5 Ų145.575%0.75474%0.735SS**  trans82.689.3154.6-68.2150.8000118.7
620S27.4Very low30.4Very low98 Ų98142.2 Ų142.269%0.68574%0.736SS**  54.6161.3123.775.20000125
621Q29.9Very low30.3Very low182 Ų182143 Ų14385%0.8574%0.74SS**  trans89.292163.3-62.1-170.6-57.900117.9
622D33.1Very low30.3Very low162 Ų162144 Ų14487%0.86674%0.742SS**  35.3158.3115.8-131.5-23.8000122.9
623E34Very low30.4Very low162 Ų162144.8 Ų144.876%0.75775%0.746SS**  trans72.4103.8171.7-72.5-143.995.300121.2
624V35Very low30.5Very low92 Ų92144.2 Ų144.256%0.55875%0.748SS**  88.5116.8118.4170.50000121.5
625K34.4Very low30.6Very low188 Ų188142.2 Ų142.282%0.81775%0.748SS**  trans80.8121.6152.2-72.8158.4-160.7142.90122.2
626K31.9Very low30.8Very low191 Ų191142 Ų14283%0.8375%0.747SS**  trans72.3109.7138-83.3-169.8171.9-175.10122.2
627S28Very low31Very low107 Ų107144.4 Ų144.475%0.74875%0.745SS**  86.3152.8118.271.90000123
628V30.4Very low31.1Very low133 Ų133146.4 Ų146.481%0.80675%0.752SS**  trans97.1145.3164.4-169.60000117.5
629N30.4Very low31.3Very low148 Ų148141.9 Ų141.979%0.79174%0.743SS**  trans-64.8176-178.9-53.5-63.8000113.6
630P45.7Very low31.4Very low110 Ų110141.3 Ų141.371%0.71475%0.746SS**  cis-147.4-178.916.546.4-27.1000119.3
631E29.3Very low31.3Very low179 Ų179141.3 Ų141.384%0.83675%0.745SS**  trans68.5158.6146.6-143173173.100122
632V30.8Very low31.3Very low118 Ų118139.7 Ų139.772%0.71574%0.741SS**  trans89.5132.1161.3-175.20000120.6
633E31Very low31Very low157 Ų157139.4 Ų139.473%0.73474%0.735SS**  trans19.2147.5158.7-72.1-168.6115.100127.8
634L28.6Very low30.6Very low134 Ų134137.4 Ų137.470%0.70273%0.726SS**  trans62.2130.3135.6-69.6169.7000123.9
635C28.8Very low30.3Very low91 Ų91141.9 Ų141.962%0.61573%0.733SS**  trans72.1103.8136.6-78.30000122.3
636Q29.5Very low29.9Very low150 Ų150142.3 Ų142.370%0.70173%0.729SS**  85.6121.4118.4-74.9-173.862.400121.4
637R34.2Very low29.7Very low196 Ų196140.7 Ų140.774%0.7473%0.729SS**  trans89.5115.8132.3-73.9167.775.8154.63.8120.3
638L28.6Very low29.7Very low146 Ų146141.4 Ų141.476%0.76473%0.729SS**  trans73.8149.7142.1-57.4166.3000116.5
639S29.6Very low30.2Very low89 Ų89140.2 Ų140.262%0.62272%0.724SS**  cis-177.8157.3-20530000109.6
640V28.9Very low30.1Very low134 Ų134139 Ų13981%0.81271%0.714SS**  trans70.4139.4161.7170.30000115.5
641C24.8Very low29.3Very low99 Ų99140.8 Ų140.867%0.66972%0.717SS**  cis-169.1166.1-17-105.90000111.8
642L29.6Very low29.4Very low147 Ų147136.4 Ų136.477%0.7771%0.711SS**  trans69.5136.3151.9-68.5161.4000122.1
643E27.7Very low29.3Very low156 Ų156136.4 Ų136.473%0.72971%0.707SS**  trans54152.6142.2-92.937.2-135.600122
644E25.6Very low29.2Very low121 Ų121137.2 Ų137.257%0.56571%0.708SS**  cis-156.4165.5-5.6-156.5-156.5123.100110.7
645R27.6Very low29.1Very low186 Ų186138 Ų13870%0.70271%0.713SS**  trans78.194.8139.9-137.9177.6-170.4115-13.1123.4
646R26.2Very low29.5Very low197 Ų197139.4 Ų139.474%0.74372%0.715SS**  30.9128.3125.2-52.1176.5175.692.8-2.2121.7
647N27.9Very low29.8Very low157 Ų157139 Ų13984%0.8471%0.713SS**  169.4159.4106-90.1-22.8000115.2
648T28.1Very low29.8Very low122 Ų122135.8 Ų135.875%0.74871%0.71SS**  trans-113.8159.4-179.1460000113.8
649P41.6Very low29.8Very low108 Ų108133.4 Ų133.470%0.70170%0.702SS**  -120.9-157.8118.232.8-21.6000110.5
650E28Very low29.8Very low122 Ų122139 Ų13957%0.5772%0.715SS**  cis-162.3178.818.9-155.4178.460.900111K492K492-E650 IonicContact NZ-OE1 2.56Å; K492-E650 PolarHBondContact NZ-OE1 2.94Å
651L29.7Very low29.8Very low148 Ų148136 Ų13678%0.77571%0.711SS**  trans-144.1177.2-178-158.369.9000112.8
652A31Very low30.1Very low86 Ų86139.7 Ų139.771%0.71172%0.72SS**  trans114.2144.5155.300000117.5
653N27.5Very low29.9Very low118 Ų118140.6 Ų140.663%0.63173%0.726SS**  cis-174.6-176.8-32.5-105.89.4000109.2
654F30.4Very low30.2Very low175 Ų175139.4 Ų139.477%0.76872%0.724SS**  trans80113.7170-57.7-77000115.8
655D26.6Very low30.5Very low149 Ų149141.7 Ų141.780%0.79774%0.735SS**  cis89.5170.820.2-141.8-6.8000114.7
656D36Very low30.7Very low121 Ų121142 Ų14265%0.64774%0.744SS**  trans86.6137.7178.7-49.80.6000117.3
657E36.2Very low30.9Very low143 Ų143139.4 Ų139.467%0.66874%0.744SS**  cis-163.5165.7-20.4-112.5-47.8-176.800112.5
658D33.3Very low31Very low127 Ų127138 Ų13868%0.67974%0.737SS**  trans58.2153143.8-77.4-42.4000123.7
659V28.6Very low31.1Very low97 Ų97138.5 Ų138.559%0.58873%0.734SS**  cis-178.9176.1-39.5128.10000110.6
660F29.8Very low30.5Very low207 Ų207138.9 Ų138.991%0.90873%0.734SS**  trans84.2131.5176-51.8-66000116.9
661G29.3Very low30.5Very low70 Ų70139.7 Ų139.772%0.72274%0.738SS**  cis-169.9131.9-3.900000115.2
662M31.3Very low31Very low176 Ų176138.2 Ų138.287%0.86774%0.74SS**  trans6.6133.6160.3-54.2177.774.300120.5
663N26.1Very low31Very low167 Ų167143.2 Ų143.289%0.89374%0.741SS**  -147.5166.6110.4-133.9-25.3000112.2
664L33.8Very low31.3Very low131 Ų131143.1 Ų143.169%0.68674%0.736SS**  trans-112.5137.5-163.4-172.775.2000112.1
665E30.7Very low32Very low169 Ų169141.8 Ų141.879%0.7974%0.738SS**  trans-175.7165.7132.9-147.968.7173.800109.7
666E32.2Very low32.2Very low191 Ų191141.5 Ų141.589%0.89374%0.735SS**  trans61.157.2170.1-149.3161.2-141.600117.9
667L31.6Very low31.9Very low144 Ų144140.9 Ų140.975%0.75474%0.74SS**  trans-63.7163.1132.3-72.6164.8000108.7
668D29.1Very low31.6Very low127 Ų127139.4 Ų139.468%0.67975%0.746SS**  cis-165.4170.940.4-160.69.4000114.2
669L30.4Very low31.8Very low133 Ų133138.4 Ų138.470%0.69674%0.744SS**  trans7689.5149.3-124.656000119.9
670V28.8Very low32.3Very low115 Ų115143.5 Ų143.570%0.69776%0.758SS**  58.7134.6102.8164.80000117.3
671E28.1Very low32.3Very low139 Ų139141.1 Ų141.165%0.6575%0.75SS**  cis-152.5-179.125.3-148.6158.9-166.400113.1W673E671-W673 PolarHBondContact OE1-NE1 2.96Å; E671-W673 VanDerWaalsContact OE2-CD1 3.26Å; E671-W673 PolarHBondContact OE2-NE1 3.49Å
672S39.3Very low32.4Very low117 Ų117150 Ų15082%0.81876%0.762SS**  trans-129.3113.9166-66.70000110.4
673W32.6Very low32.4Very low191 Ų191146.3 Ų146.372%0.72375%0.75SS**  trans-133.2156.7176.2-83.7108.3000113.6E671E671-W673 PolarHBondContact OE1-NE1 2.96Å; E671-W673 VanDerWaalsContact OE2-CD1 3.26Å; E671-W673 PolarHBondContact OE2-NE1 3.49Å
674E33.1Very low33Very low116 Ų116145.1 Ų145.154%0.54275%0.748SS.*  trans-75.5171.3-161.6-51.5161.297.700114.9K483 L676K483-E674 IonicContact NZ-OE1 2.65Å; K483-E674 PolarHBondContact NZ-OE1 3Å; K483-E674 IonicContact NZ-OE2 2.77Å; K483-E674 PolarHBondContact NZ-OE2 3.17Å; E674-L676 PolarHBondContact O-N 3.35Å
675D45.5Very low32.9Very low148 Ų148142.8 Ų142.879%0.79174%0.743SS**  trans-52.2126.2158-78.3-61.8000111.7
676L30.2Very low33.5Very low142 Ų142140.7 Ų140.774%0.74374%0.744SS**  -177.3140.1110.5-96.2163.9000113.5E674E674-L676 PolarHBondContact O-N 3.35Å
677S30Very low33.6Very low109 Ų109139.2 Ų139.276%0.76274%0.742SS**  trans45.595.1152.262.20000119.9
678S30.7Very low33.9Very low111 Ų111141.7 Ų141.778%0.77675%0.749SS**  -163.1118.7115.9-164.80000114.2
679T36.9Very low34.3Very low106 Ų106141 Ų14165%0.6575%0.754SS**  trans38.395.3137.6-35.30000119.4
680K38.6Very low34.8Very low204 Ų204140 Ų14089%0.88776%0.756SS**  trans-145.897.5139.4-115.1157.6-168.9169.30111.4
681Q30.4Very low35.2Very low157 Ų157138.9 Ų138.973%0.73475%0.745SS**  trans-69.3135.8-177-64.2156.8-56.600111.4V683Q681-V683 HydrophobicContact CB-CG2 4.07Å
682W30.4Very low36.2Very low256 Ų256137.4 Ų137.497%0.9775%0.746SS**  trans-99.875.8155.3-77.180.3000108.7T684W682-T684 PolarHBondContact O-N 3.49Å
683V31.2Very low36.6Very low100 Ų100137.7 Ų137.761%0.60673%0.734SS**  trans-78.3114.7171.7163.20000108.9Q681Q681-V683 HydrophobicContact CB-CG2 4.07Å
684T38.3Very low37.5Very low141 Ų141133.8 Ų133.887%0.86572%0.724SS**  trans-96.794.8159.8550000108.8W682W682-T684 PolarHBondContact O-N 3.49Å
685S33.2Very low38.3Very low83 Ų83133.3 Ų133.358%0.5872%0.724SS**  trans-126.6157163.273.10000107.9
686P42.3Very low38.4Very low125 Ų125134.5 Ų134.581%0.81272%0.723SS**  -132.6110.275.834.5-20.3000113
687L35.3Very low39Very low160 Ų160133.8 Ų133.884%0.83872%0.72SS**  trans-133.8132.6151.9-72.6176.5000106.4S689L687-S689 PolarHBondContact O-N 2.82Å
688H38.4Very low39.8Very low196 Ų196135.1 Ų135.191%0.90771%0.714SS**  trans-69.9115.9165.4-75.46.4000108.1
689S36.9Very low40.4Very low111 Ų111136.6 Ų136.678%0.77671%0.713SS**PPolyproline II helixtrans-76.2134.3143.4-63.10000106.8L687L687-S689 PolarHBondContact O-N 2.82Å
690P40.6Very low40.3Very low114 Ų114135.4 Ų135.474%0.7471%0.709SS**PPolyproline II helixtrans-64.9149.3171.529.6-34.4000109.8
691D37.7Very low40.2Very low90 Ų90130.6 Ų130.648%0.48170%0.698SS.*PPolyproline II helixtrans-74.3132.7-179.6-171.516.6000110.8E693 E694 L695D691-E693 PolarHBondContact OD1-N 2.95Å; D691-E694 HydrophobicContact CB-CB 3.9Å; D691-E694 PolarHBondContact O-N 3.02Å; D691-L695 PolarHBondContact O-N 3.41Å
692V47.8Very low40.1Very low108 Ų108132.6 Ų132.666%0.65571%0.705SS**Hα-helixtrans-81.1-28.6-178.4-79.80000111.5E694 L695 F696V692-E694 VanDerWaalsContact C-N 3.32Å; V692-L695 PolarHBondContact O-N 3.44Å; V692-F696 PolarHBondContact O-N 3.18Å
693E48.4Very low40Very low123 Ų123126.5 Ų126.558%0.57570%0.701SS**Hα-helixtrans-61.5-38.2165.7-84.980.4165.700111.6D691 F696 N697D691-E693 PolarHBondContact OD1-N 2.95Å; E693-F696 PolarHBondContact O-N 3.1Å; E693-N697 PolarHBondContact O-N 2.87Å; E693-N697 VanDerWaalsContact O-N 3.11Å; E693-N697 PolarHBondContact O-ND2 2.71Å
694E51.6Low39.9Very low110 Ų110126.6 Ų126.651%0.51471%0.706SS.*Hα-helixtrans-67.1-39.5177.1-170.3175-144.500112D691 V692 F696 N697 Q698D691-E694 HydrophobicContact CB-CB 3.9Å; D691-E694 PolarHBondContact O-N 3.02Å; V692-E694 VanDerWaalsContact C-N 3.32Å; E694-F696 PolarHBondContact O-N 2.74Å; E694-N697 PolarHBondContact O-N 3.32Å; E694-Q698 WeakPolarHBondContact O-CG 3.41Å; E694-Q698 PolarHBondContact O-N 3.4Å; E694-Q698 VanDerWaalsContact O-N 3.11Å
695L49.3Very low39.4Very low105 Ų105130.1 Ų130.155%0.5571%0.71SS.*Hα-helixtrans-65.2-38.1177.5-158.282.2000112.4D691 V692 Q698D691-L695 PolarHBondContact O-N 3.41Å; V692-L695 PolarHBondContact O-N 3.44Å; L695-Q698 PolarHBondContact O-N 3.4Å
696F47.5Very low39.2Very low174 Ų174129.6 Ų129.676%0.76372%0.717SS**Hα-helixtrans-71.2-37178.7-156-101.2000111.9V692 E693 E694 Q698 L699V692-F696 PolarHBondContact O-N 3.18Å; E693-F696 PolarHBondContact O-N 3.1Å; E694-F696 PolarHBondContact O-N 2.74Å; F696-Q698 VanDerWaalsContact C-N 3.31Å; F696-Q698 PolarHBondContact O-N 3.47Å; F696-L699 PolarHBondContact O-N 3.11Å
697N44.2Very low38.5Very low126 Ų126132.6 Ų132.667%0.67472%0.721SS**Hα-helixtrans-71.1-21.7175.5-76.4-64.1000113.6E693 E694E693-N697 PolarHBondContact O-N 2.87Å; E693-N697 VanDerWaalsContact O-N 3.11Å; E693-N697 PolarHBondContact O-ND2 2.71Å; E694-N697 PolarHBondContact O-N 3.32Å
698Q46.7Very low38Very low138 Ų138131.8 Ų131.865%0.64572%0.723SS**THydrogen-bonded Turntrans-83.2-5.8174.6-72.3-17726.100114.4E694 L695 F696E694-Q698 WeakPolarHBondContact O-CG 3.41Å; E694-Q698 PolarHBondContact O-N 3.4Å; E694-Q698 VanDerWaalsContact O-N 3.11Å; L695-Q698 PolarHBondContact O-N 3.4Å; F696-Q698 VanDerWaalsContact C-N 3.31Å; F696-Q698 PolarHBondContact O-N 3.47Å
699L41.5Very low37.7Very low142 Ų142128.2 Ų128.274%0.74372%0.717SS**SBendtrans-115.67.3-176.1-70.1175.9000114.9F696F696-L699 PolarHBondContact O-N 3.11Å
700S34.9Very low37.1Very low81 Ų81130.7 Ų130.757%0.56672%0.721SS**  trans-115.2111.5173.9-168.90000111.7
701P36.8Very low37.1Very low103 Ų103130.6 Ų130.667%0.66972%0.721SS**  trans-76.5127.417431-32.2000110.8
702F29.8Very low36.5Very low198 Ų198135.3 Ų135.387%0.86874%0.74SS**  trans68.6102.1177.2-48.8-78.7000116.6
703S27.7Very low35.5Very low128 Ų128137.4 Ų137.490%0.89575%0.747SS**  trans-128.1108.6142.3-172.10000108.7
704S29.6Very low34.6Very low102 Ų102136.7 Ų136.771%0.71376%0.756SS**  trans-113.1123178.257.50000110.1
705K28.1Very low33.4Very low215 Ų215136.4 Ų136.494%0.93577%0.766SS**  trans35.8108.6161.6-74.2-172.5169.5-171.10118
706G27.8Very low33.1Very low72 Ų72136.7 Ų136.774%0.74277%0.774SS**  101.3150.9109.700000118.8
707E27.5Very low32Very low189 Ų189136.1 Ų136.188%0.88377%0.774SS**  trans47.6102.5152-66.5169.9107.600118.8P709E707-P709 WeakPolarHBondContact O-CD 3.32Å
708T25.5Very low31.3Very low143 Ų143136.8 Ų136.888%0.87778%0.778SS**PPolyproline II helixtrans-72.4117.815148.20000109.8
709P31.9Very low30.5Very low121 Ų121137.4 Ų137.479%0.78678%0.784SS**PPolyproline II helixtrans-81.2159.2172.634.4-34.7000111.5E707E707-P709 WeakPolarHBondContact O-CD 3.32Å
710N24.9Very low30.4Very low163 Ų163135.2 Ų135.287%0.87278%0.778SS**PPolyproline II helixtrans-96.8155.2162-113.4-21.5000109.7
711P40.6Very low29.9Very low112 Ų112139.7 Ų139.773%0.72779%0.79SS**PPolyproline II helixtrans-98.9144-165.236.4-34.2000114.8
712E25.1Very low29.4Very low188 Ų188140.1 Ų140.188%0.87980%0.795SS**  trans-142.2128.5155-72-165.715600111.8
713D26.9Very low29.4Very low153 Ų153137.6 Ų137.682%0.81880%0.796SS**  trans46.9142.5144.9-68.2-7000127
714S28.9Very low29.3Very low107 Ų107134.9 Ų134.975%0.74879%0.788SS**  trans89.1101.9144.470.90000122.3
715S25.3Very low29.3Very low105 Ų105135.2 Ų135.273%0.73480%0.797SS**  -2.8162.8126.457.30000121.3
716P43.9Very low29.4Very low111 Ų111131.7 Ų131.772%0.72179%0.789SS**  cis-144.5-168.4-26.239-18.4000114.8
717E24.8Very low30.3Very low161 Ų161134 Ų13475%0.75279%0.79SS**  trans66.4113.4140.2-151.7-179.8-119.800120.8
718N29.2Very low30.3Very low141 Ų141131.3 Ų131.375%0.75478%0.778SS**  -175.3164.2106.1-102.7-77.1000115.7
719I29.8Very low30.8Very low151 Ų151130 Ų13077%0.77476%0.764SS**  trans-131.2144.8-171.7-76.8170.5000105.3
720P38.3Very low30.7Very low96 Ų96131.9 Ų131.962%0.62376%0.76SS**  -161.2175.475.843.7-21.4000120.3
721Q26.4Very low30.8Very low174 Ų174134 Ų13481%0.81376%0.756SS**  trans61.5130148.4-73.8153.1-15.800119.4
722S24.9Very low30.4Very low112 Ų112133.7 Ų133.778%0.78375%0.752SS**  cis79.1112.937.4-169.70000115.3
723V29.8Very low30.4Very low145 Ų145131.4 Ų131.488%0.87975%0.746SS**  trans-177.1145.9131.8145.20000107.4
724G25.9Very low30.5Very low72 Ų72131.3 Ų131.374%0.74274%0.744SS**  trans-143.9160.8172.400000111.7
725A30.5Very low31.1Very low108 Ų108131.8 Ų131.889%0.89375%0.745SS**  trans-157.4143.5171.300000112
726N30.4Very low31.2Very low142 Ų142134 Ų13476%0.75975%0.748SS**  trans-99.5158.2161.4-149.3-13000107.2
727P44.8Very low30.4Very low119 Ų119134.6 Ų134.677%0.77375%0.749SS**  -153.5-165.686.636.9-16.2000113.8
728E29.2Very low31.1Very low134 Ų134132 Ų13263%0.62675%0.746SS**  cis178.1171.5-49.9-156.4-148.5144.200107.1K730E728-K730 IonicContact OE1-NZ 3.24Å
729I34.6Very low30.9Very low114 Ų114134.8 Ų134.859%0.58575%0.746SS**  trans72.4106.7162.1-56.3170.3000116.5
730K29.9Very low30.8Very low162 Ų162136.9 Ų136.970%0.70475%0.745SS**  60.9140.887.5-54.5156.7-177.4154.10114E728E728-K730 IonicContact OE1-NZ 3.24Å
731W27.6Very low30.2Very low208 Ų208138.6 Ų138.679%0.78875%0.753SS**  -168.1153.753-83.972.9000112.8
732T32.3Very low30.3Very low105 Ų105135.7 Ų135.764%0.64475%0.752SS**  trans37.9154.7143.661.70000123.7
733N26.1Very low30.5Very low140 Ų140138.1 Ų138.175%0.74976%0.755SS**  cis-163166.77.6-123.1-28000114.2
734L28.3Very low30.4Very low150 Ų150137.1 Ų137.179%0.78575%0.745SS**  trans-16.7163.8162.7-71.3170.3000121.9
735P40.7Very low30.7Very low118 Ų118139.1 Ų139.177%0.76674%0.739SS**  cis-156158.541.943.4-20.7000123.5
736L27.4Very low30.8Very low150 Ų150139.9 Ų139.979%0.78573%0.728SS**  trans53103.4131.1-15671.7000125.3
737V26.8Very low30.9Very low125 Ų125140.2 Ų140.276%0.75873%0.73SS**  42.3152.3111.3179.50000120.6
738P40.5Very low30.3Very low106 Ų106138.4 Ų138.469%0.68873%0.725SS**  cis-138.6-175.6-1437.7-16.7000118.6
739R25.5Very low30.5Very low200 Ų200138.6 Ų138.676%0.75574%0.735SS**  trans77.6133.9137-98-173.8174.8177.72.3124.1
740R27.5Very low30.4Very low195 Ų195141.4 Ų141.474%0.73675%0.746SS**  trans84.3157.1132.8-88.2-175.6177.8-177.7-2.2122.7
741T25.1Very low31.3Very low132 Ų132138.9 Ų138.981%0.8175%0.746SS**  trans82.8113.715121.40000121.5
742S29.3Very low32.3Very low112 Ų112133.8 Ų133.878%0.78374%0.74SS**  trans-55.9137.6153159.70000113
743L28.1Very low32.3Very low163 Ų163135.2 Ų135.285%0.85375%0.749SS**  trans-166.4152.5151.8-136.664.1000106.8
744N28.9Very low32.5Very low124 Ų124132.7 Ų132.766%0.66375%0.747SS**  cis-174.7-176.2-36-173.815.9000105.2
745N32.1Very low32.7Very low115 Ų115135.1 Ų135.162%0.61575%0.751SS**  trans74.1142.5160.4-61.1-19.6000116.7
746N32.4Very low32.1Very low124 Ų124134.5 Ų134.566%0.66375%0.75SS**  cis-163.5178.5-11.1-116.8-18.5000112.8
747N32.5Very low32.3Very low149 Ų149133.2 Ų133.280%0.79775%0.753SS**  trans82.9141.6160.8-55.9-31.5000117.4
748A31.7Very low32.6Very low81 Ų81133.7 Ų133.767%0.66976%0.757SS**  cis-164.2169.2-17.800000111.7
749T34.3Very low32.3Very low137 Ų137133.5 Ų133.584%0.8476%0.764SS**  trans80.6123.1155.4-49.50000118.8
750Q31.5Very low33Very low173 Ų173133.3 Ų133.381%0.80877%0.769SS**  trans-113.9-154.7168.7-48.9-170.92.800108.4
751P49.3Very low33.9Very low109 Ų109129.3 Ų129.371%0.70877%0.768SS**  cis-128.5-144.6-19.233.1-7.5000108.9
752P49Very low34.5Very low102 Ų102132.4 Ų132.466%0.66277%0.77SS**  cis-144.2-175.4-7.143.9-24.1000119.1
753T31.3Very low34.5Very low135 Ų135134 Ų13483%0.82877%0.77SS**  trans90.5142.9146.242.40000124
754A30Very low34.8Very low86 Ų86131.7 Ų131.771%0.71176%0.763SS**  trans66117.5167.100000117.6
755K32.8Very low34.8Very low201 Ų201130.8 Ų130.887%0.87477%0.773SS**  cis65.6140.249.3-60.3-179.6179.5178.60113.6
756S28Very low34.9Very low105 Ų105131.7 Ų131.773%0.73479%0.788SS**  cis177.6143-21.249.90000108.6
757S32.2Very low34.8Very low123 Ų123130.8 Ų130.886%0.8679%0.792SS**  trans-163.6164.6153.756.90000112.1
758T31.7Very low34.7Very low135 Ų135131.1 Ų131.183%0.82879%0.788SS**  trans-145.1139-168.1540000112.5
759A35.8Very low34.7Very low103 Ų103137.7 Ų137.785%0.85180%0.796SS**  trans-140145.3158.800000110.4
760K39.9Very low34.4Very low196 Ų196139.8 Ų139.885%0.85279%0.794SS**  trans-125.9178.9178.5-60.5179.1-179.2173.90106.6
761P47.1Very low34.3Very low111 Ų111137.1 Ų137.172%0.72179%0.789SS**  cis-143.1172.57.943.8-25.2000118
762K36Very low33.4Very low196 Ų196142 Ų14285%0.85279%0.794SS**  trans48.7104140.9-72.6-179.2175.6-176.60121.9
763N29.9Very low32.7Very low145 Ų145145.8 Ų145.878%0.77580%0.802SS**  89.1162.9106.2-148.316.4000121.2
764T34.9Very low32.6Very low116 Ų116147.4 Ų147.471%0.71280%0.803SS**  trans67.791.2165.536.90000119.7
765A28.2Very low32.7Very low105 Ų105147.7 Ų147.787%0.86880%0.799SS**  trans45107.2131.100000121
766S34Very low33Very low133 Ų133144.2 Ų144.293%0.9380%0.799SS**  -140.5158.7124-168.40000109.1
767S30Very low32.8Very low106 Ų106148.8 Ų148.874%0.74181%0.808SS**  trans-106.7166.9-157.7-160.40000115.4
768Q30.9Very low32.8Very low156 Ų156147 Ų14773%0.72979%0.793SS**  trans80.791.9150.2-148.81509.300118.5
769R32.3Very low33Very low219 Ų219144.5 Ų144.583%0.82678%0.777SS**  trans-48.7161.9150.3-56.7168.6175.6150.9-4.3111.1
770F27.4Very low32.7Very low181 Ų181146.1 Ų146.179%0.79478%0.777SS**  -137.9127.1125.7-107.6-71.4000112.8
771T30Very low32.4Very low117 Ų117141.5 Ų141.572%0.71878%0.775SS**  trans-77.6149.8162.5-45.80000108.7
772R29.8Very low31.4Very low211 Ų211144.2 Ų144.280%0.79678%0.778SS**  trans-138.5118.6164.9-70.4-165.174.1-1170.9112.8
773Q35.2Very low31.1Very low181 Ų181144.4 Ų144.485%0.84678%0.779SS**  trans-142159.4143.3-85.9-169.1-27.200107.3
774M29.2Very low31.2Very low170 Ų170144.5 Ų144.584%0.83777%0.772SS**  trans60.5162.7-176.893.7-141.4-76.300115.7
775S31Very low30.8Very low92 Ų92145 Ų14564%0.64377%0.767SS**  cis-161.7136.6-45.3470000109.5
776C40.1Very low30.9Very low127 Ų127147.3 Ų147.386%0.85876%0.759SS**  trans38.6100.1161.2-55.40000119.9
777E23.1Very low30.7Very low201 Ų201148.8 Ų148.894%0.93975%0.752SS**  trans-158.7169.2149.5-136.8164.6-160.500112.7
778T31.9Very low30.7Very low87 Ų87147.5 Ų147.553%0.53476%0.755SS.*  trans-132.4138.6-167-50.60000112.4Y574Y574-T778 HydrophobicContact CE2-CG2 4.12Å
779T36.4Very low30.8Very low82 Ų82144.7 Ų144.750%0.50375%0.752SS.*  trans70.2153167.230.60000120.2P572P572-T779 HydrophobicContact CG-CG2 3.55Å
780T30.2Very low30.8Very low137 Ų137142.1 Ų142.184%0.8475%0.747SS**  trans-80.1167.9176.745.30000112.2
781A32.5Very low31Very low98 Ų98143 Ų14381%0.8175%0.745SS**  cis-131.5-15018.800000112.5
782E26.4Very low31.1Very low169 Ų169146.2 Ų146.279%0.7975%0.752SS**  cis-162175.344.3-173173.5-112.900111.9
783K30.3Very low31.3Very low199 Ų199147.3 Ų147.387%0.86576%0.756SS**  trans-144.5116.2165.8-171.1-173.6-173.3-173.20109.4
784K30.8Very low32.3Very low147 Ų147143.5 Ų143.564%0.63975%0.747SS**  trans67.6144.3-172.2-90179.2166.1-80.40112.8
785E26.3Very low32.6Very low128 Ų128140.9 Ų140.960%0.59874%0.744SS**  cis-169.9134.4-0.1-175.9150.8-127.700112.8
786E30.6Very low32.9Very low152 Ų152141.7 Ų141.771%0.7175%0.75SS**  trans61153161.4-73-14890.300124.2
787H30Very low32.6Very low165 Ų165142.8 Ų142.876%0.76475%0.747SS**  trans71.4123163-52.5-27.7000120.5
788G31.5Very low33Very low78 Ų78139.2 Ų139.280%0.80473%0.734SS**  trans-80-149.4-171.600000117.4
789S31.6Very low33.3Very low97 Ų97142.4 Ų142.468%0.67875%0.747SS**  cis-172.3166.76.249.90000111.5
790F32.7Very low33Very low165 Ų165145.4 Ų145.472%0.72476%0.76SS**  trans72.1110160.4-59.2-61.4000123.6
791R32.5Very low33.7Very low200 Ų200146.4 Ų146.476%0.75576%0.759SS**  72.5130.1122.4-66.5179.5-166.2-78.62.4123.8
792Q32Very low33.5Very low185 Ų185146.2 Ų146.286%0.86475%0.752SS**  114148.8124-97.9172-25.900122.3
793R33.2Very low34Very low233 Ų233147.4 Ų147.488%0.87976%0.757SS**  trans-104.1-177.4-174.4-101.1-176.9178.6169.7-2.1109.1
794P56.5Low34.2Very low101 Ų101148.6 Ų148.666%0.65676%0.756SS**  cis-143.3-166.9-32.640.5-21.3000114.4
795C35.2Very low34.3Very low115 Ų115147.9 Ų147.978%0.77777%0.768SS**  trans65.1128.6148.7-65.80000122.5
796S36.7Very low34.5Very low110 Ų110150 Ų15077%0.76978%0.782SS**  166.1135.69948.50000117.1
797L33.7Very low34.7Very low150 Ų150152.9 Ų152.979%0.78579%0.786SS**  trans54.6119.8136.9-56.9174.8000125.6
798N32.8Very low34.9Very low126 Ų126151.6 Ų151.667%0.67479%0.785SS**  85.5126.9120.1-69.95.9000126
799L37.2Very low35.3Very low153 Ų153155.8 Ų155.880%0.80179%0.787SS**  trans67.5160.3145.3-58.8169.6000118
800D31.4Very low35.3Very low145 Ų145155.9 Ų155.978%0.77579%0.788SS**  cis-146.7-178.46.1-154.3-3.6000113.2
801L43Very low35.1Very low158 Ų158154.1 Ų154.183%0.82779%0.786SS**  trans-79148.1-175.3-132.673.2000115.3
802S28.9Very low35.3Very low94 Ų94152.4 Ų152.466%0.65779%0.786SS**  trans-176.3140.6143.341.40000113.3
803H36.8Very low35.3Very low194 Ų194152.7 Ų152.790%0.89879%0.788SS**  trans-90.6146.9163.9-76-16.7000110.6
804R34.8Very low35.1Very low225 Ų225148.5 Ų148.585%0.84978%0.783SS**  trans-134128.5169.5-90-171.9-95.3-148.8-6.7111.2
805C32.8Very low33.9Very low131 Ų131154.1 Ų154.189%0.88579%0.791SS**  trans-84.3150.2166.3-55.40000109.8
806I31.4Very low33.4Very low172 Ų172157.6 Ų157.688%0.88279%0.793SS**  trans-122.6155.2175-65-179.4000109.1
807R34.6Very low32.9Very low213 Ų213157.7 Ų157.780%0.80479%0.793SS**  trans-137147.9-154167.1-174.3-80.5-177.3-3.4112.4
808D33.4Very low32.4Very low138 Ų138155.9 Ų155.974%0.73879%0.794SS**  trans48.8137.2157.8-55.3-17.3000123.5
809I39.7Very low32.2Very low167 Ų167156.8 Ų156.886%0.85679%0.794SS**  -154155.3119.440.1170000106.3
810S31.8Very low31.6Very low99 Ų99157.3 Ų157.369%0.69279%0.79SS**  cis-155.6178.38.8-144.60000108
811N29.7Very low31.4Very low127 Ų127160 Ų16068%0.67980%0.795SS**  cis-145.8-108.28.3-165.42.6000112.4
812Q36.6Very low30.5Very low164 Ų164158.1 Ų158.177%0.76680%0.795SS**  trans-152.2142.8-162-73.3167.464.900114.3
813Q31.9Very low30.3Very low191 Ų191156.5 Ų156.589%0.89379%0.793SS**  -166.4102.4111.7-104.1-173.8800113.9
814N28.7Very low30.3Very low145 Ų145153 Ų15378%0.77579%0.788SS**  trans57.897.7134.6-156.3-4.8000121.4
815R30.4Very low30.1Very low219 Ų219152.4 Ų152.483%0.82679%0.791SS**  177.8121.1107-94.7-178180-164.4-0.1114
816K25.8Very low29.9Very low189 Ų189149.4 Ų149.482%0.82278%0.782SS**  trans47.2111.4153.2-56.4-170177.8-168.50119.1
817S24.5Very low29.9Very low111 Ų111149.3 Ų149.378%0.77678%0.783SS**  57.7124.67274.10000113.3
818S25.2Very low29.6Very low113 Ų113146.9 Ų146.979%0.7979%0.785SS**  -174.1178.451.3-175.20000110.1
819E28.3Very low29.5Very low145 Ų145145 Ų14568%0.67879%0.788SS**  -164.3163.2-59-163.5167.1-148.800108.7
820F24.9Very low29.1Very low163 Ų163141.5 Ų141.572%0.71578%0.784SS**  trans68.7141.4176.6-52.9-73.4000117.6
821F25.8Very low29.2Very low202 Ų202142.8 Ų142.889%0.88679%0.793SS**  cis101.5106.125.6-96.4-74.6000115.4
822S24Very low29.1Very low119 Ų119139.7 Ų139.783%0.83279%0.792SS**  -175.4151.8127-170.30000112
823G25.5Very low28.7Very low59 Ų59138.9 Ų138.961%0.60880%0.798SS**  trans-87.7-172.6159.900000111.8
824P36.8Very low28.7Very low121 Ų121135.5 Ų135.579%0.78679%0.79SS**  -153.7140.567.639-18.3000119.5
825K31Very low29Very low213 Ų213136.6 Ų136.693%0.92680%0.796SS**  60.2118120-161.1179.5-172.2178.10121.7
826G27Very low29.1Very low68 Ų68135.7 Ų135.770%0.70180%0.798SS**  trans169.5101.2155.200000118.8
827L31.4Very low29.5Very low170 Ų170130.3 Ų130.389%0.8980%0.797SS**  trans32.6144.1138.4-61161.3000120.9
828L30.3Very low30Very low162 Ų162133.9 Ų133.985%0.84880%0.801SS**  cis-140.2-177.430.6-77.9169.1000113.7
829A31.1Very low30.9Very low98 Ų98131 Ų13181%0.8178%0.781SS**  trans-123.1-179.2175.900000110.8
830A31.5Very low31.8Very low93 Ų93131.1 Ų131.177%0.76978%0.781SS**  cis-158171.48.300000112.7
831S32.9Very low32.9Very low126 Ų126127.1 Ų127.188%0.88177%0.767SS**  trans5.5144.4154.6-1650000121.2
832G28.4Very low34Very low63 Ų63121.2 Ų121.265%0.64974%0.744SS**  cis141.7160.40.600000113
833T28.1Very low35.6Very low147 Ų147122 Ų12290%0.90274%0.738SS**  trans-151.7153.1169.6-74.60000110.3
834V31Very low37.1Very low120 Ų120126.5 Ų126.573%0.72774%0.742SS**  trans-92.6138.9-171.8176.20000113
835N34.6Very low38Very low167 Ų167125.7 Ų125.789%0.89373%0.73SS**  trans-132.4147.1155.6-91.5-43000110.1
836K33.5Very low38.6Very low200 Ų200120.9 Ų120.987%0.8772%0.715SS**  trans-96.7138.4-172.4-76.6-178.1176.4177.80112.9
837G33.5Very low39.6Very low77 Ų77122.7 Ų122.779%0.79471%0.708SS**  trans65.563136.900000118.1
838H35.7Very low40.4Very low185 Ų185125.6 Ų125.686%0.85671%0.707SS**  trans-65.8144.5154.4-75.3-81.1000110.1
839S44.4Very low41.3Very low53 Ų53126 Ų12637%0.37171%0.705SS.*  trans-79.9146.1-170.7840000112.1L841 D842S839-L841 PolarHBondContact O-N 2.86Å; S839-L841 WeakPolarHBondContact OG-CB 3.46Å; S839-L841 PolarHBondContact OG-N 2.96Å; S839-D842 WeakPolarHBondContact CB-OD2 3.47Å; S839-D842 PolarHBondContact O-N 3.32Å; S839-D842 VanDerWaalsContact OG-CG 3.23Å; S839-D842 PolarHBondContact OG-N 3.07Å; S839-D842 VanDerWaalsContact OG-N 3.12Å; S839-D842 PolarHBondContact OG-OD2 3.22Å
840E47Very low41.5Very low148 Ų148125.2 Ų125.269%0.69270%0.699SS**Hα-helixtrans-61.3-29171.8-169.2175.217800111.3L843 F844E840-L843 PolarHBondContact O-N 3.26Å; E840-F844 HydrophobicContact CG-CD2 3.98Å; E840-F844 HydrophobicContact CG-CE2 3.9Å; E840-F844 WeakPolarHBondContact O-CD2 3.49Å; E840-F844 PolarHBondContact O-N 2.85Å
841L48.6Very low41.8Very low78 Ų78126.6 Ų126.641%0.40870%0.699SS.*Hα-helixtrans-60.9-43.1176.1-164.380.4000112.2F43 S839 L843 F844 L845F43-L841 HydrophobicContact CD2-CD1 4.18Å; F43-L841 HydrophobicContact CE2-CD1 4.14Å; F43-L841 HydrophobicContact CG-CD1 4.49Å; F43-L841 HydrophobicContact CZ-CD1 4.41Å; S839-L841 PolarHBondContact O-N 2.86Å; S839-L841 WeakPolarHBondContact OG-CB 3.46Å; S839-L841 PolarHBondContact OG-N 2.96Å; L841-L843 VanDerWaalsContact C-N 3.26Å; L841-L843 PolarHBondContact O-N 3.5Å; L841-F844 PolarHBondContact O-N 3.23Å; L841-L845 HydrophobicContact CD2-CD1 4.33Å; L841-L845 HydrophobicContact CG-CD1 4.03Å; L841-L845 WeakPolarHBondContact O-CB 3.45Å; L841-L845 WeakPolarHBondContact O-CG 3.33Å; L841-L845 PolarHBondContact O-N 3.36Å
842D48.8Very low42.2Very low78 Ų78127.7 Ų127.742%0.41770%0.695SS.*Hα-helixtrans-62.1-36.4177.1-66.3-58.3000111.5S839 L845 N846S839-D842 WeakPolarHBondContact CB-OD2 3.47Å; S839-D842 PolarHBondContact O-N 3.32Å; S839-D842 VanDerWaalsContact OG-CG 3.23Å; S839-D842 PolarHBondContact OG-N 3.07Å; S839-D842 VanDerWaalsContact OG-N 3.12Å; S839-D842 PolarHBondContact OG-OD2 3.22Å; D842-L845 PolarHBondContact O-N 3.49Å; D842-N846 WeakPolarHBondContact O-CB 3.28Å; D842-N846 PolarHBondContact O-N 2.95Å; D842-N846 VanDerWaalsContact O-N 3.11Å; D842-N846 PolarHBondContact O-ND2 3.37Å
843L57.1Low42.6Very low135 Ų135136.2 Ų136.271%0.70771%0.707SS**Hα-helixtrans-71.4-40.9179.3-158.168.6000111.3E840 L841 D847E840-L843 PolarHBondContact O-N 3.26Å; L841-L843 VanDerWaalsContact C-N 3.26Å; L841-L843 PolarHBondContact O-N 3.5Å; L843-D847 PolarHBondContact O-N 2.61Å
844F56.2Low43.5Very low154 Ų154138.9 Ų138.968%0.67570%0.701SS**Hα-helixtrans-66.1-32.6173.7-89.7-72.4000113.9E840 L841E840-F844 HydrophobicContact CG-CD2 3.98Å; E840-F844 HydrophobicContact CG-CE2 3.9Å; E840-F844 WeakPolarHBondContact O-CD2 3.49Å; E840-F844 PolarHBondContact O-N 2.85Å; L841-F844 PolarHBondContact O-N 3.23Å
845L57.1Low44.2Very low104 Ų104141 Ų14155%0.54571%0.708SS.*Hα-helixtrans-82-23.1179.6-70.2172.4000113.4L841 D842L841-L845 HydrophobicContact CD2-CD1 4.33Å; L841-L845 HydrophobicContact CG-CD1 4.03Å; L841-L845 WeakPolarHBondContact O-CB 3.45Å; L841-L845 WeakPolarHBondContact O-CG 3.33Å; L841-L845 PolarHBondContact O-N 3.36Å; D842-L845 PolarHBondContact O-N 3.49Å
846N43.1Very low44.4Very low113 Ų113138.5 Ų138.560%0.60470%0.704SS**Hα-helixtrans-96.9-10.4-179.5-74.9-72.6000114.9D842 R848D842-N846 WeakPolarHBondContact O-CB 3.28Å; D842-N846 PolarHBondContact O-N 2.95Å; D842-N846 VanDerWaalsContact O-N 3.11Å; D842-N846 PolarHBondContact O-ND2 3.37Å; N846-R848 PolarHBondContact O-N 3.12Å
847D48.5Very low44.5Very low105 Ų105133.3 Ų133.356%0.56170%0.698SS**  trans-69.798.7174.2-175.47.9000112L843 Q849L843-D847 PolarHBondContact O-N 2.61Å; D847-Q849 PolarHBondContact OD1-N 3.26Å
848R47.4Very low44.7Very low232 Ų232135.5 Ų135.588%0.87570%0.698SS**  trans-88.19.7175.4-65.5-172.7176.9-163.6-0.1113.9N846N846-R848 PolarHBondContact O-N 3.12Å
849Q50Low44.7Very low170 Ų170133 Ų13379%0.79470%0.696SS**  trans-130.938.4-173.1-63-162.530.400115.6D847 P851D847-Q849 PolarHBondContact OD1-N 3.26Å; Q849-P851 WeakPolarHBondContact O-CD 3.47Å
850A34.3Very low44.3Very low82 Ų82136 Ų13668%0.67872%0.717SS**  trans-60.9124165.800000112L852A850-L852 PolarHBondContact O-N 3.5Å
851P38.2Very low43.8Very low121 Ų121135.4 Ų135.479%0.78672%0.723SS**  trans-62.9129.5-174.4-27.636.2000115Q849 R853Q849-P851 WeakPolarHBondContact O-CD 3.47Å; P851-R853 PolarHBondContact O-N 3.29Å
852L40.4Very low43.3Very low150 Ų150136.9 Ų136.979%0.78574%0.74SS**  trans-64.188-179.2-175.173.1000112.6A850 R854A850-L852 PolarHBondContact O-N 3.5Å; L852-R854 VanDerWaalsContact C-N 3.28Å; L852-R854 HydrophobicContact CD2-CG 4.1Å; L852-R854 HydrophobicContact CG-CG 4.16Å; L852-R854 PolarHBondContact O-N 3.35Å
853R36.8Very low42.9Very low242 Ų242138.4 Ų138.491%0.91376%0.756SS**  trans-71.879.8172.5-98.7-162155.1108.44112.3P851 N855P851-R853 PolarHBondContact O-N 3.29Å; R853-N855 PolarHBondContact O-N 3.1Å
854R47.8Very low41.9Very low203 Ų203137.6 Ų137.677%0.76676%0.757SS**  trans-57.8117.9158.9-58.9170.770122.1-1.7108.3L852L852-R854 VanDerWaalsContact C-N 3.28Å; L852-R854 HydrophobicContact CD2-CG 4.1Å; L852-R854 HydrophobicContact CG-CG 4.16Å; L852-R854 PolarHBondContact O-N 3.35Å
855N44.5Very low41.4Very low163 Ų163141.8 Ų141.887%0.87277%0.768SS**  trans15663.6147.2-77.5-13.2000113.3R853R853-N855 PolarHBondContact O-N 3.1Å
856S39Very low40.9Very low116 Ų116141.7 Ų141.781%0.81177%0.772SS**  trans-143.8121.2149.550.60000108.3
857A35.6Very low40.6Very low91 Ų91141.3 Ų141.375%0.75279%0.785SS**  trans-83.3135.5-178.500000110.1V859A857-V859 PolarHBondContact O-N 3.47Å
858P39Very low40.4Very low123 Ų123144.6 Ų144.680%0.79979%0.794SS**  trans-67.8120.6172.727.9-32.8000109.7S860P858-S860 PolarHBondContact O-N 2.84Å
859V34Very low40.2Very low133 Ų133142.4 Ų142.481%0.80680%0.796SS**  trans-71.5110.7174.8176.70000108.8A857 V861A857-V859 PolarHBondContact O-N 3.47Å; V859-V861 PolarHBondContact O-N 3.13Å
860S35.8Very low40.2Very low115 Ų115141.3 Ų141.380%0.80479%0.794SS**  trans-73.592.2179.541.30000111.7P858 S862P858-S860 PolarHBondContact O-N 2.84Å; S860-S862 PolarHBondContact O-N 2.94Å
861V38Very low41Very low135 Ų135146.8 Ų146.882%0.81880%0.803SS**  trans-69111.4167.4-79.40000110.4V859 S863V859-V861 PolarHBondContact O-N 3.13Å; V861-S863 PolarHBondContact O-N 3.49Å; V861-S863 VanDerWaalsContact O-N 3.08Å
862S37.8Very low41.6Very low109 Ų109146.9 Ų146.976%0.76280%0.801SS**  trans-71.198.7178.441.70000111.3S860 V864S860-S862 PolarHBondContact O-N 2.94Å; S862-V864 PolarHBondContact O-N 3.2Å; S862-V864 VanDerWaalsContact O-N 3.07Å
863S39.8Very low41.7Very low110 Ų110145.4 Ų145.477%0.76980%0.802SS**  trans-72.7100.4178.7-168.50000111.4V861 R865V861-S863 PolarHBondContact O-N 3.49Å; V861-S863 VanDerWaalsContact O-N 3.08Å; S863-R865 PolarHBondContact O-N 3.19Å; S863-R865 VanDerWaalsContact O-N 3.15Å
864V36.8Very low42Very low119 Ų119142.9 Ų142.972%0.72180%0.801SS**  trans-74.4100.4177.6-179.40000109.7S862 T866S862-V864 PolarHBondContact O-N 3.2Å; S862-V864 VanDerWaalsContact O-N 3.07Å; V864-T866 PolarHBondContact O-N 3.48Å; V864-T866 VanDerWaalsContact O-N 3.16Å
865R45.7Very low41.8Very low241 Ų241139.6 Ų139.691%0.90980%0.803SS**  trans-72.7100.7173.2-69.3-176.6176.5-177-1.5110.7S863S863-R865 PolarHBondContact O-N 3.19Å; S863-R865 VanDerWaalsContact O-N 3.15Å
866T45.7Very low41.8Very low103 Ų103141.3 Ų141.363%0.63280%0.803SS**  trans-85.6122.316444.20000110.1V864 F868V864-T866 PolarHBondContact O-N 3.48Å; V864-T866 VanDerWaalsContact O-N 3.16Å; T866-F868 PolarHBondContact O-N 3.17Å
867A38.3Very low42.2Very low104 Ų104140.4 Ų140.486%0.8680%0.802SS**  trans-82.1107.4179.700000111.1
868F42.8Very low42.8Very low175 Ų175142 Ų14277%0.76880%0.802SS**  trans-93.1119.6167.2-80.2-89.1000110T866 I870T866-F868 PolarHBondContact O-N 3.17Å; F868-I870 PolarHBondContact O-N 3.42Å
869M42.7Very low43.1Very low185 Ų185141.7 Ų141.791%0.91180%0.8SS**  trans-76.2107.9173-65.7-169.4-62.800110.4
870I51.3Low43.8Very low148 Ų148141.8 Ų141.876%0.75980%0.801SS**  trans-88.7111.8169.9-58.2177.8000108.3F868 T872F868-I870 PolarHBondContact O-N 3.42Å; I870-T872 PolarHBondContact O-N 2.77Å
871K51.4Low45Very low196 Ų196142.3 Ų142.385%0.85280%0.799SS**  trans-74.9110.7170.6-74-173.7176-177.50109.6
872T50.3Low45.7Very low123 Ų123140.8 Ų140.876%0.75579%0.792SS**PPolyproline II helixtrans-85118173.244.40000110.5I870I870-T872 PolarHBondContact O-N 2.77Å
873C42.6Very low46.3Very low120 Ų120141.3 Ų141.381%0.81179%0.793SS**PPolyproline II helixtrans-78.7120.5171.7-66.10000109.1V875C873-V875 PolarHBondContact O-N 3.11Å
874Q42.2Very low46.4Very low189 Ų189144.6 Ų144.688%0.88380%0.796SS**PPolyproline II helixtrans-71.8117.2179-65.8-178.3-0.500110.7
875V45.3Very low46.9Very low133 Ų133144.4 Ų144.481%0.80679%0.794SS**  trans-110.8117.6166.7179.20000107.6C873 A877C873-V875 PolarHBondContact O-N 3.11Å; V875-A877 PolarHBondContact O-N 3.46Å
876K43.2Very low47Very low200 Ų200141.2 Ų141.287%0.8779%0.79SS**  trans-71.7110175.6-74.1-174.7175-177.40109.6
877A48.1Very low46.8Very low96 Ų96146.2 Ų146.279%0.79380%0.799SS**PPolyproline II helixtrans-73.4134.3166.100000109.8V875V875-A877 PolarHBondContact O-N 3.46Å
878V49.1Very low47Very low125 Ų125146.2 Ų146.276%0.75879%0.792SS**PPolyproline II helixtrans-84.5128.4170178.40000107.8V880V878-V880 PolarHBondContact O-N 3.19Å
879P44.6Very low47.1Very low116 Ų116147 Ų14775%0.75380%0.798SS**PPolyproline II helixtrans-67.6119.717926.9-33.4000110.5
880V49.2Very low47Very low136 Ų136145.3 Ų145.382%0.82479%0.792SS**  trans-84.9115.6173.2177.60000108.4V878 P882V878-V880 PolarHBondContact O-N 3.19Å; V880-P882 WeakPolarHBondContact O-CD 3.38Å
881V61Low46.3Very low125 Ų125143.5 Ų143.576%0.75879%0.789SS**PPolyproline II helixtrans-72.8122.4172.9-179.70000108.7
882P52.5Low45.4Very low103 Ų103143.5 Ų143.567%0.66979%0.792SS**PPolyproline II helixtrans-68.6138.2173.328.7-33.3000110V880V880-P882 WeakPolarHBondContact O-CD 3.38Å
883P50.3Low44.5Very low121 Ų121144.2 Ų144.279%0.78680%0.797SS**PPolyproline II helixtrans-66.5140.9-179.927.9-34.5000111.2V885P883-V885 PolarHBondContact O-N 3.45Å
884Q42.5Very low43.8Very low179 Ų179148.1 Ų148.184%0.83679%0.794SS**PPolyproline II helixtrans-67.2131.9176.1-71.1-172.6-14.200111.1Q886Q884-Q886 PolarHBondContact O-N 2.85Å; Q884-Q886 VanDerWaalsContact O-N 3.11Å
885V46.4Very low43.1Very low114 Ų114148.4 Ų148.469%0.69180%0.796SS**  trans-79.493.5177.2-176.70000109.3P883 Y887P883-V885 PolarHBondContact O-N 3.45Å; V885-Y887 HydrophobicContact CG1-CD2 4.45Å; V885-Y887 HydrophobicContact CG1-CE2 4.2Å; V885-Y887 PolarHBondContact O-N 3.35Å
886Q48.5Very low42.4Very low174 Ų174148.2 Ų148.281%0.81379%0.786SS**  trans-76.2110.9169.3-69.7-175.2-19.100109.6Q884 S888Q884-Q886 PolarHBondContact O-N 2.85Å; Q884-Q886 VanDerWaalsContact O-N 3.11Å; Q886-S888 PolarHBondContact O-N 2.85Å
887Y41.2Very low41.6Very low209 Ų209144.1 Ų144.182%0.8278%0.782SS**  trans-70.6108.5171.6-74.2-93.1000109.8V885 Q889V885-Y887 HydrophobicContact CG1-CD2 4.45Å; V885-Y887 HydrophobicContact CG1-CE2 4.2Å; V885-Y887 PolarHBondContact O-N 3.35Å; Y887-Q889 PolarHBondContact O-N 3.26Å
888S41.8Very low40.6Very low104 Ų104146.8 Ų146.873%0.72778%0.784SS**  trans-69.7111.9172.857.50000110.3Q886 I890Q886-S888 PolarHBondContact O-N 2.85Å; S888-I890 PolarHBondContact O-N 3.4Å
889Q45.5Very low39.5Very low190 Ų190146.6 Ų146.689%0.88879%0.788SS**PPolyproline II helixtrans-61124.6167-71.8179.3-18.400109.2Y887 P891Y887-Q889 PolarHBondContact O-N 3.26Å; Q889-P891 WeakPolarHBondContact O-CD 3.36Å
890I39.4Very low38.7Very low151 Ų151143.8 Ų143.877%0.77478%0.78SS**PPolyproline II helixtrans-82122.6174.9-59.8174.8000107.6S888S888-I890 PolarHBondContact O-N 3.4Å
891P37Very low37.6Very low109 Ų109143.9 Ų143.971%0.70878%0.781SS**PPolyproline II helixtrans-61.9137.3176.2-22.734.2000111.5Q889 T893Q889-P891 WeakPolarHBondContact O-CD 3.36Å; P891-T893 PolarHBondContact O-N 2.79Å
892Q32.7Very low36Very low196 Ų196143.6 Ų143.692%0.91678%0.779SS**PPolyproline II helixtrans-66.3117.3175.3-68.7-178.2-8.900110.2R894Q892-R894 PolarHBondContact O-N 3.11Å
893T31Very low34.9Very low138 Ų138147.2 Ų147.285%0.84778%0.784SS**  trans-75.593.8173.149.90000110P891 Q895P891-T893 PolarHBondContact O-N 2.79Å; T893-Q895 PolarHBondContact O-N 3.1Å
894R27.8Very low33.8Very low202 Ų202147.8 Ų147.876%0.76278%0.777SS**  trans-55.5127.6164.9-138-172.3-157.3-139.42.8108.4Q892 E896Q892-R894 PolarHBondContact O-N 3.11Å; R894-E896 WeakPolarHBondContact CD-OE2 3.47Å; R894-E896 IonicContact CZ-OE1 2.72Å; R894-E896 IonicContact CZ-OE2 3.1Å; R894-E896 IonicContact NE-OE2 3.3Å; R894-E896 IonicContact NH1-OE1 2.83Å; R894-E896 PolarHBondContact NH1-OE1 3.03Å; R894-E896 IonicContact NH1-OE2 2.85Å; R894-E896 PolarHBondContact NH1-OE2 3.49Å; R894-E896 IonicContact NH2-OE1 3.86Å
895Q28.2Very low33.1Very low195 Ų195146.9 Ų146.991%0.91177%0.772SS**  trans-131.8122.2165.6-164.8170.213.500107.9T893T893-Q895 PolarHBondContact O-N 3.1Å
896E30.1Very low32.2Very low130 Ų130147.7 Ų147.761%0.60777%0.768SS**  trans-152.3104.5-157.2176.1-178.5-148.600108R894R894-E896 WeakPolarHBondContact CD-OE2 3.47Å; R894-E896 IonicContact CZ-OE1 2.72Å; R894-E896 IonicContact CZ-OE2 3.1Å; R894-E896 IonicContact NE-OE2 3.3Å; R894-E896 IonicContact NH1-OE1 2.83Å; R894-E896 PolarHBondContact NH1-OE1 3.03Å; R894-E896 IonicContact NH1-OE2 2.85Å; R894-E896 PolarHBondContact NH1-OE2 3.49Å; R894-E896 IonicContact NH2-OE1 3.86Å
897S26.8Very low31.2Very low113 Ų113147.7 Ų147.779%0.7977%0.766SS**  trans170.2148.1164.241.40000110.3
898D26.5Very low30.5Very low153 Ų153141.6 Ų141.682%0.81877%0.767SS**  cis-162146.3-32.1-153.7-20.5000108.6
899S26.7Very low29.8Very low120 Ų120144.7 Ų144.784%0.83977%0.774SS**  trans153.6135.9162.246.60000111.8
900G26.8Very low30Very low57 Ų57140.2 Ų140.259%0.58876%0.762SS**  cis178.3115.1-11.800000114.5
901T27.2Very low29.4Very low139 Ų139143.5 Ų143.585%0.85376%0.764SS**  trans66.3129.8153.266.60000121.4
902V27Very low29.2Very low119 Ų119144.5 Ų144.572%0.72177%0.768SS**  159.6107.1110.3166.10000112.2
903K29.8Very low28.9Very low178 Ų178139.4 Ų139.477%0.77475%0.754SS**  trans58.6163.3150.4-58.8-178.5176.8-170.10119.4
904E27.4Very low28.8Very low134 Ų134138.4 Ų138.463%0.62675%0.748SS**  cis-151.8145.89.8-161.6144.3-169.500114.9
905Q27.2Very low28.8Very low159 Ų159135 Ų13574%0.74375%0.745SS**  trans56.5158.6159.3-73.8171.55600119.3
906E26.8Very low29.3Very low131 Ų131131.5 Ų131.561%0.61274%0.737SS**  cis-146.7161.914.6-146.2-151.8156.900113.8
907K28.5Very low29.6Very low175 Ų175129.9 Ų129.976%0.76174%0.741SS**  trans55.4125.1161.1-75.4176.4-1791030122.5
908G25.2Very low30Very low81 Ų81130.9 Ų130.984%0.83574%0.742SS**  trans136.893.2147.400000118.1
909L28.9Very low30Very low169 Ų169128 Ų12889%0.88574%0.739SS**  trans-131.1-179.6177.5-127.174.7000109.6
910P49.2Very low30.2Very low96 Ų96130 Ų13062%0.62374%0.739SS**  cis-134.3178.5-22.524.5-1.2000114.8
911R26.6Very low31.6Very low220 Ų220132.6 Ų132.683%0.8375%0.745SS**  163125.3110-86.7-174.1-176.7-155.7-0.3117
912T31.8Very low32.9Very low129 Ų129131.2 Ų131.279%0.79174%0.739SS**  trans56.8146140.956.20000122.6
913S27.9Very low33Very low89 Ų89133.6 Ų133.662%0.62274%0.744SS**  cis-177.6167.5-13.856.50000112.4
914T29.1Very low33.2Very low118 Ų118132.5 Ų132.572%0.72474%0.744SS**  trans63.5148.214846.30000120.9
915D27.4Very low33.5Very low130 Ų130133.9 Ų133.970%0.69575%0.752SS**  cis-163.6170.8-10.7-131.5-47.2000115.5
916T38.2Very low34Very low121 Ų121130.6 Ų130.674%0.74275%0.747SS**  trans-10.6170.6159.342.80000124.4
917S37.1Very low34.3Very low97 Ų97131 Ų13168%0.67875%0.753SS**  cis176.5163.9-24.21770000115
918T35.2Very low34.5Very low133 Ų133129.4 Ų129.482%0.81675%0.752SS**  trans94138.4142.1-7.40000125.1
919A26.7Very low34.8Very low93 Ų93132.6 Ų132.677%0.76974%0.743SS**  trans133.9156.3137.400000117.3
920I30Very low35.1Very low163 Ų163130.4 Ų130.484%0.83673%0.728SS**  trans-135.2-155.8-155.1-25.1179.5000115.5
921P56.1Low34.4Very low110 Ų110132.2 Ų132.271%0.71473%0.728SS**  trans-121.4-140.8-131.146.6-25.5000114.2
922P55.7Low35.1Very low110 Ų110126 Ų12671%0.71471%0.711SS**  cis-137-156-18.939.5-17.4000115.6
923M29.2Very low35.3Very low169 Ų169124.6 Ų124.683%0.83370%0.695SS**  trans112.2157.1159.6-65.4-173.570.500118.2
924M32.8Very low35.5Very low155 Ų155122.6 Ų122.676%0.76468%0.678SS**  cis-173.7162.5-39.4-152.3176-171.600111.7
925M34.4Very low35.8Very low164 Ų164125.7 Ų125.781%0.80868%0.681SS**  trans73.8162.2158.9-57.3-147.2-58.600121.4
926S37.6Very low35.9Very low90 Ų90127.9 Ų127.963%0.62969%0.687SS**  cis-173.1148-33.9-81.80000114.3
927D33.1Very low36.4Very low139 Ų139127 Ų12774%0.74368%0.684SS**  82.7148.3129.3-90.9-49.4000131.6
928L31.7Very low36.4Very low142 Ų142127.4 Ų127.474%0.74368%0.684SS**  trans71.5162.1147.8-63.4156.1000125.4
929K31.6Very low36.8Very low148 Ų148127.1 Ų127.164%0.64369%0.685SS**  -178.7165.8-50.5-143.9167154.1-132.80114.7
930E35.7Very low37Very low122 Ų122131.4 Ų131.457%0.5769%0.686SS**  trans72.1161.5141.4-102.7157.9-176.200123.5
931E35.2Very low37.1Very low135 Ų135130.6 Ų130.663%0.63168%0.678SS**  cis-158.1167.51.3-155.1152-172.400116.8
932L40.6Very low36Very low88 Ų88132.7 Ų132.746%0.46168%0.679SS.*  trans-21.1176.4164.7-61172.7000123.2K402K402-L932 WeakPolarHBondContact CE-O 3.39Å
933E36.1Very low34.7Very low100 Ų100134.6 Ų134.647%0.46768%0.676SS.*  cis176.1170-26.1-166.2-158.5171.500109.4K402 K935K402-E933 WeakPolarHBondContact CA-O 3.29Å; K402-E933 PolarHBondContact N-O 2.83Å; E933-K935 IonicContact OE1-NZ 2.85Å
934N33.2Very low34.8Very low48 Ų48134.1 Ų134.126%0.25767%0.671SS.*  trans110.5113.5141.3-80.9-51.6000125.3D403D403-N934 PolarHBondContact N-ND2 2.98Å
935K34.5Very low34.5Very low183 Ų183131 Ų13180%0.79667%0.67SS**  trans86.7169.8135.9-56.9-46.9-177.2-125.30124.2E933E933-K935 IonicContact OE1-NZ 2.85Å
936E28.5Very low34Very low175 Ų175130 Ų13082%0.81867%0.668SS**  trans-142.2-173.6-162.2-134.4-151.9131.800107.3
937P49.2Very low33.7Very low104 Ų104130.6 Ų130.668%0.67567%0.667SS**  cis-135-118.72.430.6-1.1000115.7
938P38.1Very low33.5Very low104 Ų104131.6 Ų131.668%0.67567%0.668SS**  trans-127.5-170.3-133.342.4-19.7000115.8
939P42.8Very low33.3Very low128 Ų128134 Ų13483%0.83167%0.672SS**  -151-156.791.940.9-20.5000115.6
940K30.7Very low33Very low183 Ų183132.2 Ų132.280%0.79668%0.678SS**  trans-112.3175.6-166-52.2152.9-175.9165.40112
941H31.8Very low32.8Very low146 Ų146130 Ų13068%0.67668%0.681SS**  172133.8114.4-102.6-111.5000115.4
942Q32.9Very low32.4Very low154 Ų154132.5 Ų132.572%0.7269%0.693SS**  trans49160.9136-69.4177.7-20.700123.1
943K29.8Very low31.8Very low150 Ų150132.6 Ų132.665%0.65271%0.706SS**  cis178.5176.4-23-176.8177.5168.3-163.80107.8
944H29.7Very low31.5Very low158 Ų158131.1 Ų131.173%0.73172%0.718SS**  trans73.4164.9170.4-57.4-85.1000115.3
945A27.8Very low31.5Very low91 Ų91137.9 Ų137.975%0.75275%0.745SS**  cis-171.2172.3-28.400000109.7
946N24.1Very low31.1Very low141 Ų141136.2 Ų136.275%0.75475%0.745SS**  cis-172.6144.9-40.6-176.534.9000110.8
947V29.7Very low31.1Very low103 Ų103132.9 Ų132.962%0.62475%0.747SS**  trans71.8163.1154.81330000120.8
948Q28.7Very low30.2Very low161 Ų161132.3 Ų132.375%0.75275%0.751SS**  trans74.7127.4169.6-96.5142.7-4300118.6
949K27.5Very low30.1Very low193 Ų193132.6 Ų132.684%0.83975%0.753SS**  cis88.3139.926.9-178.4-161.8177.9-174.50112.4
950S26.8Very low29.1Very low109 Ų109135.2 Ų135.276%0.76275%0.754SS**  cis-178.5-163.7-17.5-172.40000107.7
951A30Very low29.6Very low77 Ų77134 Ų13464%0.63676%0.756SS**  trans75.5160.5167.600000115.6
952E27.8Very low30Very low187 Ų187132.4 Ų132.487%0.87476%0.758SS**  cis-152.4171.91.8-135.9147.7171.600108.3
953A28.5Very low29.9Very low90 Ų90130.6 Ų130.674%0.74476%0.757SS**  cis-136169.6-2.100000107.8
954G28.5Very low30.3Very low69 Ų69130.7 Ų130.771%0.71176%0.763SS**  92.813758.200000110.7
955K33.8Very low30.7Very low190 Ų190129.2 Ų129.283%0.82677%0.765SS**  cis174.4142.8-14.6-120.9179.9-177.3177.80105.8
956N26.8Very low30.9Very low148 Ų148135.2 Ų135.279%0.79177%0.769SS**  trans82.3142.9152.4-57.1-2000122.9
957A27.5Very low31.3Very low105 Ų105138.1 Ų138.187%0.86877%0.769SS**  trans74.1141.8149.900000120.9
958A31.3Very low31.4Very low92 Ų92142.4 Ų142.476%0.7678%0.782SS**  trans-91.5161.3165.900000109.5
959P35Very low31.8Very low110 Ų110138.7 Ų138.771%0.71478%0.779SS**  -141.7-175.275.540.2-23.7000115
960E22.2Very low33.3Very low183 Ų183135.5 Ų135.586%0.85578%0.778SS**  trans35.3143.8149-69173.3114.500123.8
961L40.5Very low33.6Very low158 Ų158135.2 Ų135.283%0.82778%0.776SS**  trans-84.2144166.3-65.1169.7000110.8V963L961-V963 HydrophobicContact CB-CG2 4.47Å
962P40Very low34.2Very low112 Ų112138.8 Ų138.873%0.72778%0.783SS**  -133.7160.2104.638.4-29.5000111.8
963V31.2Very low34.6Very low115 Ų115137.8 Ų137.870%0.69778%0.779SS**  cis79.8150.426.9-167.30000113.7L961L961-V963 HydrophobicContact CB-CG2 4.47Å
964I39.2Very low35.1Very low153 Ų153138.6 Ų138.679%0.78577%0.774SS**  trans78.4136.5177.5-46.2-174.7000112.6
965T37.6Very low35.4Very low126 Ų126144.4 Ų144.477%0.77378%0.78SS**  cis-110.8168.120.167.20000113
966R32.3Very low35.5Very low218 Ų218141.4 Ų141.482%0.82378%0.777SS**  cis-158.112222.5-160.9-179.2-167.8-161.94.7112.9
967R31.5Very low36Very low201 Ų201142.2 Ų142.276%0.75878%0.782SS**  trans41.3144.4145.8-60.9179.6-179.3-122.53.2120.3
968H32.3Very low35.9Very low193 Ų193140.2 Ų140.289%0.89477%0.771SS**  cis-156.7173.40.4-116.7-39.5000110.4
969A37.9Very low36.4Very low83 Ų83142.3 Ų142.369%0.68678%0.777SS**  trans-116.5-157.1-169.300000112.3
970P59.3Low36.5Very low126 Ų126148.7 Ų148.782%0.81879%0.787SS**  cis-79.1-159.3739-40.6000112.1
971S33Very low36.8Very low104 Ų104146.1 Ų146.173%0.72779%0.789SS**  cis-161.5171.610.180.80000109.5
972L41.3Very low36.2Very low151 Ų151145.1 Ų145.179%0.79179%0.785SS**  cis-146.1-103-5.1-165.156.2000111.7
973E37.5Very low36.2Very low166 Ų166151.2 Ų151.278%0.77679%0.793SS**  trans-149.1158.5-159.3-75.5-174.3-172.300110.9
974V38.2Very low36.2Very low107 Ų107149.5 Ų149.565%0.64880%0.799SS**  cis-159.9128.9-2.8128.20000112.3
975F34.3Very low36.1Very low192 Ų192146.9 Ų146.984%0.84280%0.8SS**  trans62.8138.5143-72.5-115.1000128
976V37.5Very low36.1Very low126 Ų126148.6 Ų148.676%0.76480%0.804SS**  trans101.198.6135.7160.90000124.6
977D35.8Very low36.5Very low166 Ų166144.8 Ų144.889%0.88880%0.799SS**  trans68.5160.9132.2-133.6-13.7000124.8
978G25.2Very low36.5Very low62 Ų62141.7 Ų141.764%0.63979%0.793SS**  trans-103.2-141.2-162.800000117.2
979P42.5Very low36.5Very low137 Ų137142.6 Ų142.689%0.8979%0.789SS**  cis-131.9-15111.144.2-25.5000115.3
980R36.9Very low36.6Very low243 Ų243144.8 Ų144.892%0.91780%0.796SS**  trans-95.8157.7-171.5-53.9174.8178.4-178.2-1.2115.2
981S28.3Very low35.1Very low129 Ų129143.9 Ų143.990%0.90279%0.793SS**  trans-157.9-172.5150.3-156.20000114.7
982N28Very low35.2Very low138 Ų138148.3 Ų148.374%0.73880%0.799SS**  trans-113.1162-154.6-115.2-66.8000116.8
983R41.2Very low35Very low239 Ų239153 Ų15390%0.90281%0.806SS**  trans21.3129.2151.9-72.4175174.6-169.6-2.1121.1
984G29.6Very low34.8Very low80 Ų80152.6 Ų152.683%0.82581%0.81SS**  trans-138.8148.3143.900000109.6
985A38.9Very low34.9Very low97 Ų97158.6 Ų158.680%0.80282%0.821SS**  trans-139.6148.4-178.600000110.7
986L36Very low35.1Very low163 Ų163158.6 Ų158.685%0.85382%0.823SS**  trans-176.4155.1153.9-104.7160.1000113.3
987L40.8Very low34.8Very low137 Ų137163.9 Ų163.972%0.71783%0.829SS**  trans64.692.5157.5-60.7173.8000122.2
988Q31.4Very low35.2Very low137 Ų137161.6 Ų161.664%0.6482%0.824SS**  46.998.6101-163-155.362.200119.6
989R33.1Very low36.3Very low211 Ų211167.6 Ų167.680%0.79684%0.835SS**  -178.2135.9105.6-96.8-170.9179.584.8-2.9111.8
990P38.9Very low36.4Very low129 Ų129166.2 Ų166.284%0.83883%0.828SS**  trans-90.3144.2172.435.1-32.1000111.9
991S29.5Very low36.7Very low107 Ų107162.5 Ų162.575%0.74883%0.826SS**  trans-148.6128.2172.8-164.10000112.1
992F34Very low37.7Very low198 Ų198163.1 Ų163.187%0.86882%0.818SS**  trans17.1110.7172.8-56.2-73.2000120.6
993R36.9Very low38.2Very low248 Ų248164 Ų16494%0.93682%0.821SS**  trans-99.3125138.7-86.6-164.2176.3-129.40.2110.2
994N34.5Very low38.2Very low159 Ų159160 Ų16085%0.8582%0.817SS**  trans-52.3136.3175.4-173.7-10.2000112.2
995R39.2Very low38.4Very low233 Ų233161.2 Ų161.288%0.87981%0.813SS**  trans-137.5153.8169.3-84.1-168.8175.5-107.22.2110.5
996Q38.5Very low38.6Very low191 Ų191161.7 Ų161.789%0.89381%0.808SS**PPolyproline II helixtrans-68.8145.9-161.1-66.9159.5-64.600114.5
997R31.7Very low39.3Very low238 Ų238160 Ų16090%0.89881%0.807SS**PPolyproline II helixtrans-76.6120.2174.2-175-178.7-168.3162.93.3110.1
998P43.7Very low39Very low118 Ų118162.2 Ų162.277%0.76681%0.811SS**PPolyproline II helixtrans-69.8154.9171.729.7-33.9000111.2
999Q47.9Very low39.8Very low188 Ų188161.5 Ų161.588%0.87982%0.818SS**PPolyproline II helixtrans-82.5160.6179.4-70.1173.1-26.200111.7
1000S46.1Very low39.9Very low107 Ų107160.7 Ų160.775%0.74882%0.821SS**PPolyproline II helixtrans-66.8130.8-17448.70000113.4
1001L42Very low40.1Very low165 Ų165161.5 Ų161.586%0.86482%0.815SS**PPolyproline II helixtrans-73128.9163.2-66.3171.7000109.5
1002I50.3Low40.6Very low142 Ų142163.4 Ų163.473%0.72882%0.817SS**  trans-97.6116170.1-58.8175.8000107.1L1004I1002-L1004 HydrophobicContact CG2-CD1 3.99Å
1003L37.9Very low40.6Very low156 Ų156163.7 Ų163.782%0.81781%0.814SS**  trans-77.7132.2164.6-102.569.4000108.8
1004L41.2Very low40.6Very low155 Ų155157.5 Ų157.581%0.81281%0.806SS**  trans-105.6119.4163.5-7685.6000108.3I1002I1002-L1004 HydrophobicContact CG2-CD1 3.99Å
1005S34.9Very low40.5Very low107 Ų107156.9 Ų156.975%0.74881%0.808SS**PPolyproline II helixtrans-81.4141.6170.3-54.80000110.2
1006P41.7Very low40.3Very low107 Ų107151.4 Ų151.470%0.69581%0.806SS**PPolyproline II helixtrans-72.9147.7173.731.2-34.5000111.4
1007P51.2Low40Very low128 Ų128145.8 Ų145.883%0.83180%0.798SS**PPolyproline II helixtrans-82.3142177.232.9-33.9000112.2
1008F34.5Very low39.9Very low182 Ų182141.9 Ų141.980%0.79880%0.795SS**PPolyproline II helixtrans-88148.6164.7-74.2-91.3000110.6
1009P48.9Very low39.5Very low122 Ų122142.4 Ų142.479%0.79279%0.792SS**PPolyproline II helixtrans-78.4140.8173.632.5-33.4000111.3
1010F34.2Very low38.9Very low195 Ų195136.9 Ų136.986%0.85579%0.785SS**PPolyproline II helixtrans-95.8159167.5-73.9-91.6000110.4
1011M43.1Very low38.4Very low145 Ų145139.9 Ų139.971%0.71479%0.785SS**  trans-116.2118.2-172.7-128.3-119.165.600109.8Y1013M1011-Y1013 HydrophobicContact CE-CD2 4.42Å; M1011-Y1013 HydrophobicContact CE-CE2 4.4Å
1012D39.3Very low38.1Very low148 Ų148139.9 Ų139.979%0.79179%0.785SS**PPolyproline II helixtrans-101.9134.7-177.6-67.4-41.8000111.7
1013Y34.2Very low37.4Very low204 Ų204141.6 Ų141.680%0.879%0.794SS**PPolyproline II helixtrans-97.5139171.7-75.4-101.2000110.5M1011M1011-Y1013 HydrophobicContact CE-CD2 4.42Å; M1011-Y1013 HydrophobicContact CE-CE2 4.4Å
1014P37.3Very low37Very low118 Ų118139.3 Ų139.377%0.76679%0.791SS**PPolyproline II helixtrans-87.2126174.332.9-31.5000112.2
1015T32.5Very low36.5Very low146 Ų146136.9 Ų136.990%0.89679%0.787SS**  trans-125.2109.5156.7-60.30000107.5
1016S35.5Very low36.3Very low118 Ų118138.7 Ų138.783%0.82579%0.787SS**  trans-124.1114.2-177.357.40000110.6
1017G31.3Very low36Very low72 Ų72142.7 Ų142.774%0.74279%0.794SS**  trans-127.5160.6170.300000111.4
1018D30Very low34.9Very low156 Ų156141.5 Ų141.583%0.83479%0.788SS**  trans74.797.6167.8-136.536.5000118.8
1019D35.1Very low34.7Very low130 Ų130140.5 Ų140.570%0.69579%0.791SS**  43137.2128.1-81.630.7000123.7
1020G35.1Very low33.9Very low71 Ų71141.2 Ų141.273%0.73279%0.788SS**  trans-145-23.5179.100000118.5
1021K36.6Very low33.6Very low171 Ų171138.9 Ų138.974%0.74378%0.784SS**  trans60126.7167.7-53.9171.7-172.3173.80118.3
1022L35.1Very low33.1Very low165 Ų165137.8 Ų137.886%0.86479%0.786SS**  148.3113.4127-80.5174.7000112.8
1023L36.4Very low32.7Very low177 Ų177135.6 Ų135.693%0.92778%0.782SS**  175.8136.2119.9-93.8174.3000108.5
1024S28.8Very low32.5Very low108 Ų108129.8 Ų129.876%0.75578%0.776SS**  trans-130.9146.6-177.155.90000111
1025S30.2Very low32.2Very low104 Ų104131.8 Ų131.873%0.72778%0.78SS**  trans-176.2120141.8-90.70000115.9
1026I31.8Very low32.1Very low145 Ų145131.1 Ų131.174%0.74477%0.771SS**  84131.9125.7-64170.4000120.2
1027K34.2Very low32Very low192 Ų192130.8 Ų130.884%0.83576%0.763SS**  trans71.3136.9166.6-79.4169.2177.8179.90117.3
1028S28.5Very low32Very low103 Ų103135.9 Ų135.972%0.7277%0.765SS**  cis141112.2-7.11590000106.3
1029L30.9Very low32Very low161 Ų161133.2 Ų133.284%0.84376%0.759SS**  -171.7141127.3-161.252.8000108.6
1030N32.1Very low31.8Very low137 Ų137134.8 Ų134.873%0.73376%0.759SS**  trans-92.6154.1165.2-65.2-18.6000108.4
1031D28.3Very low31.5Very low146 Ų146136.7 Ų136.778%0.78175%0.753SS**  -179.8154.9108.9-89.5-13.5000114.1
1032T32.3Very low31.4Very low121 Ų121136.6 Ų136.674%0.74276%0.757SS**  trans-26.5160.6155.738.30000117.1
1033S30.3Very low31.2Very low103 Ų103134.3 Ų134.372%0.7275%0.75SS**  cis170.9-167.1-12.460.90000107.2
1034A31.3Very low31Very low81 Ų81133 Ų13367%0.66974%0.739SS**  trans71.6129167.400000115.3
1035L30.4Very low31Very low161 Ų161134.8 Ų134.884%0.84374%0.74SS**  62.613671.1-89.887.8000113.2
1036N29.4Very low31.2Very low132 Ų132138.7 Ų138.771%0.70674%0.744SS**  cis-173.1-165.7-10.8-158.8-14000107.7
1037V33.7Very low31.3Very low111 Ų111142.6 Ų142.667%0.67375%0.75SS**  trans73.7130.8145.9166.40000116.9
1038F31.6Very low31.3Very low179 Ų179139.1 Ų139.179%0.78575%0.745SS**  cis-165.7-179.5-4.5-134.6-110.3000110.1
1039S30.1Very low31.6Very low99 Ų99142.8 Ų142.869%0.69275%0.75SS**  trans72.9143.8153.7-72.80000119.5
1040K30.7Very low31.3Very low164 Ų164143.4 Ų143.471%0.71375%0.749SS**  cis-166.9167.3-15.9-148.8177.4162.3-76.90110
1041D29.8Very low31.6Very low111 Ų111140.1 Ų140.159%0.59475%0.748SS**  trans69.5103.5152.9-64.6-31.9000122.8
1042M33.2Very low31.8Very low169 Ų169142 Ų14283%0.83375%0.752SS**  84.2135.8108.1-149.890.5160.900122.1
1043T32.3Very low32.3Very low116 Ų116140.3 Ų140.371%0.71275%0.749SS**  trans97.5133148.4-10.40000120.5
1044E32.2Very low32.7Very low149 Ų149142.9 Ų142.970%0.69675%0.754SS**  trans-63.9159.2-179.5-45.9145.1125.200114.1
1045N28.2Very low32.8Very low147 Ų147146.1 Ų146.179%0.78676%0.756SS**  -171.9169.4102-106.5-78.2000115.4
1046F33.5Very low33.2Very low185 Ų185143.3 Ų143.381%0.81174%0.741SS**  trans-99.6174.2-171-79.1-98.1000114.9
1047R34.1Very low33.9Very low227 Ų227144.3 Ų144.386%0.85774%0.739SS**  trans80.198.2155.2-81.8-176.9171.8159.9-0.5120.3
1048T34.3Very low33.7Very low119 Ų119146.3 Ų146.373%0.7374%0.743SS**  35.3131.7114.659.60000121.1
1049Q34.4Very low34.1Very low180 Ų180143.7 Ų143.784%0.84174%0.742SS**  131.3165.3122.3-162.2160.9-22.800114.2
1050E26.1Very low34.6Very low174 Ų174146.4 Ų146.481%0.81375%0.747SS**  trans76.8141.8174.8-54.4-162.6141.100117.3
1051G37.8Very low35.8Very low68 Ų68144 Ų14470%0.70175%0.748SS**  trans-148149.4170.900000108.2
1052H31.6Very low36.1Very low187 Ų187148.4 Ų148.487%0.86676%0.762SS**  trans-142.5150-179.1-98.6-90.6000110.5
1053A42.4Very low36.1Very low84 Ų84146 Ų14669%0.69476%0.762SS**  trans-106.8151.2170.700000110.2
1054L39.6Very low36.2Very low157 Ų157143.7 Ų143.782%0.82276%0.762SS**  trans169.9167.8136.5-94163000113.5
1055Q33.4Very low36.4Very low150 Ų150145.8 Ų145.870%0.70177%0.771SS**  trans83.5141.3167.5-49.2-57.7-13.900119.3
1056N39Very low36.7Very low101 Ų101148.6 Ų148.654%0.5477%0.771SS.*  cis168.7150.6-49.7171.930.8000111.7
1057K43.2Very low36.9Very low154 Ų154145.9 Ų145.967%0.6776%0.764SS**  trans72.6158175.3-48.6-53.4178-138.70116.6
1058M30.9Very low37.3Very low153 Ų153141.7 Ų141.775%0.75475%0.754SS**  cis-153.9159.53.2-154.384.177.700113.3
1059T38.5Very low37.7Very low123 Ų123142.5 Ų142.576%0.75576%0.759SS**  trans83.3145.7150.1-46.70000120.1
1060I42.4Very low37.8Very low157 Ų157139.5 Ų139.581%0.80576%0.758SS**  trans-136.2-157.6-169-24.2177.6000111.1
1061P55Low38.5Very low113 Ų113137.3 Ų137.373%0.73476%0.757SS**  -123.1-177.4-127.944.8-27.2000117
1062K35.2Very low38.3Very low204 Ų204138.8 Ų138.889%0.88776%0.756SS**  trans-149.8150.6159.2-64.2-175.3-176.8176.60109.4
1063S33.2Very low38.4Very low117 Ų117135.2 Ų135.282%0.81875%0.751SS**  cis-173.8136.8-21.850.80000109.6
1064G35.2Very low37.9Very low69 Ų69140.5 Ų140.571%0.71176%0.759SS**  trans152.190.3174.300000112.2
1065Q37.4Very low37.5Very low193 Ų193143.8 Ų143.890%0.90276%0.762SS**  56.1104.1105.2-76.4-177.2-25.800113.9
1066R33.7Very low37.6Very low206 Ų206143.9 Ų143.978%0.77776%0.762SS**  cis99.2144.947.6-175.5-165.1166.7170.2-1.7110.3E1068R1066-E1068 IonicContact NH2-OE1 3.45Å
1067L37.7Very low37.8Very low128 Ų128145.2 Ų145.267%0.6778%0.777SS**  trans88.5138.2172.3-51.2177.6000114.8
1068E41.5Very low37.4Very low138 Ų138145.1 Ų145.165%0.64578%0.778SS**  cis-167.4177.7-30-132.2162.5-132.600110.8R1066R1066-E1068 IonicContact NH2-OE1 3.45Å
1069T43.7Very low38.3Very low137 Ų137149.5 Ų149.584%0.8479%0.787SS**  trans74.8143168.4690000120.2
1070S35.3Very low38.6Very low117 Ų117153.2 Ų153.282%0.81879%0.787SS**  trans-118.4137.7178.6-49.20000110.8
1071T42.4Very low38.5Very low128 Ų128151.1 Ų151.179%0.78579%0.786SS**  trans-144.7113157.753.60000107.6
1072S32.8Very low37.8Very low98 Ų98152.5 Ų152.569%0.68578%0.784SS**  71140.760.180.50000114.5
1073C33Very low38.1Very low113 Ų113150.3 Ų150.376%0.76478%0.781SS**  trans79.8103.9167.9-56.20000118.6
1074F33.2Very low38.3Very low195 Ų195153.3 Ų153.386%0.85578%0.78SS**  30.8130.1118.2-85.2-99.8000119.3
1075Y31.4Very low38.3Very low226 Ų226155.1 Ų155.189%0.88677%0.773SS**  trans-135.3112.4153.5-134.8-91.6000112.9
1076Q35.4Very low38.3Very low152 Ų152151.2 Ų151.271%0.7177%0.767SS**  trans-81.7131.2171.6-66.6172.5-78.700110.3Q1078Q1076-Q1078 PolarHBondContact O-N 3.33Å
1077P43.4Very low38.7Very low129 Ų129151.1 Ų151.184%0.83877%0.766SS**  trans-74.660.6172.3-18.934000113.7R1079P1077-R1079 PolarHBondContact O-N 2.83Å
1078Q33.8Very low38.5Very low151 Ų151149.4 Ų149.471%0.70677%0.765SS**  trans-74.287.7-179.1-170.1167.842.700112.6Q1076 R1080Q1076-Q1078 PolarHBondContact O-N 3.33Å; Q1078-R1080 PolarHBondContact O-N 2.65Å
1079R50.9Low38.7Very low245 Ų245149.1 Ų149.193%0.92578%0.775SS**  trans-83.599.6169.5-75.4-167169.9-146.9-2.3111.8P1077P1077-R1079 PolarHBondContact O-N 2.83Å
1080R44.7Very low38.6Very low202 Ų202152.9 Ų152.976%0.76277%0.774SS**  trans-78.6118162.2-74.6176.6169.9-107.11.3110.2Q1078Q1078-R1080 PolarHBondContact O-N 2.65Å
1081S40.3Very low38.9Very low113 Ų113156.5 Ų156.579%0.7978%0.778SS**  trans-103.6110.4156.543.20000108.8
1082M38.9Very low38.8Very low141 Ų141157.4 Ų157.470%0.69578%0.777SS**  trans-84.9125.3170.5-62.5-163.6-51.500109.5F1084M1082-F1084 HydrophobicContact SD-CE2 4.12Å
1083I41.6Very low39Very low159 Ų159165.3 Ų165.382%0.81580%0.803SS**  trans-125.7110.9159.9-59.9-179.6000107.3
1084F38.5Very low39.3Very low180 Ų180168 Ų16879%0.78981%0.805SS**  trans-99.3111.4164.1-74-86.5000108.3M1082M1082-F1084 HydrophobicContact SD-CE2 4.12Å
1085D35.4Very low39.6Very low106 Ų106166.5 Ų166.557%0.56780%0.802SS**  trans-144.3100.3142.4-159.8-3.6000110R1087D1085-R1087 PolarHBondContact O-N 3.33Å; D1085-R1087 WeakPolarHBondContact OD1-CG 3.38Å; D1085-R1087 IonicContact OD1-NE 3.18Å; D1085-R1087 PolarHBondContact OD1-NE 2.89Å; D1085-R1087 IonicContact OD1-NH2 3.44Å; D1085-R1087 IonicContact OD2-CZ 3.99Å; D1085-R1087 IonicContact OD2-NE 3.96Å; D1085-R1087 PolarHBondContact OD2-NE 3.18Å; D1085-R1087 IonicContact OD2-NH2 3.71Å; D1085-R1087 PolarHBondContact OD2-NH2 2.57Å
1086S36Very low40Very low112 Ų112163.2 Ų163.278%0.78380%0.797SS**  trans-92.190.9-179.457.50000110.2
1087R41.9Very low40.3Very low203 Ų203163.9 Ų163.977%0.76680%0.803SS**  trans-107.787.6177.8-64.5-169.3-174.9-117-4.7112.5D1085D1085-R1087 PolarHBondContact O-N 3.33Å; D1085-R1087 WeakPolarHBondContact OD1-CG 3.38Å; D1085-R1087 IonicContact OD1-NE 3.18Å; D1085-R1087 PolarHBondContact OD1-NE 2.89Å; D1085-R1087 IonicContact OD1-NH2 3.44Å; D1085-R1087 IonicContact OD2-CZ 3.99Å; D1085-R1087 IonicContact OD2-NE 3.96Å; D1085-R1087 PolarHBondContact OD2-NE 3.18Å; D1085-R1087 IonicContact OD2-NH2 3.71Å; D1085-R1087 PolarHBondContact OD2-NH2 2.57Å
1088S33.5Very low40.1Very low92 Ų92166.1 Ų166.164%0.64380%0.8SS**  trans-74.2127.7164.258.70000110.8R1090S1088-R1090 PolarHBondContact O-N 2.56Å; S1088-R1090 VanDerWaalsContact O-N 3.16Å
1089P45.9Very low40.5Very low132 Ų132167.1 Ų167.186%0.85781%0.807SS**  trans-75.599162.330.9-30.7000108.9
1090R41.9Very low39.8Very low217 Ų217161.5 Ų161.582%0.81980%0.798SS**  trans-91.3118.1159.9-74.9-169178.4-149-2.2108.1S1088S1088-R1090 PolarHBondContact O-N 2.56Å; S1088-R1090 VanDerWaalsContact O-N 3.16Å
1091Q41Very low39.4Very low192 Ų192158.4 Ų158.490%0.89780%0.801SS**  trans-63.9141.4161.6-71.2172.1-95.100109.5
1092I40.3Very low39.4Very low147 Ų147162.2 Ų162.275%0.75480%0.802SS**  trans-141.3127.1165.6-62.3-178000105.3
1093E37.3Very low39.4Very low265 Ų265164.1 Ų164.1100%1.23881%0.812SS**  trans62.70-172.3-62.9-174.3135.700115.7

Retrieved 1,093 of 1,093 residues in 362.4 ms (Link to these results)