A0A061I1H9_CRIGR Loading...

MRN complex interacting protein

AlphaFold DB , UniProt , Accession A0A061I1H9, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Mrnip, Length 338 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
1M64Low86.6Confident244 Ų24486.9 Ų86.9100%1.20249%0.488SS*.  0148.70-59.6173.485.600108.5
2A68.3Low87.4Confident94 Ų9479.8 Ų79.878%0.77745%0.449SS*.PPolyproline II helixtrans-75.4145.1176.200000111.2
3P74.9Confident88Confident118 Ų11878.5 Ų78.577%0.76645%0.447SS*.PPolyproline II helixtrans-68135.6179.427.6-34.3000111.5Q5P3-Q5 PolarHBondContact O-N 3.09Å
4A79.1Confident88.5Confident100 Ų10077.4 Ų77.483%0.82645%0.447SS*.PPolyproline II helixtrans-63.4120.4179.100000111.1Q6A4-Q6 PolarHBondContact O-N 3.24Å; A4-Q6 VanDerWaalsContact O-N 3.09Å
5Q87.9Confident89Confident142 Ų14275.4 Ų75.466%0.66444%0.438SS*.  trans-76.3101.4-173.7-66.5-178.9-24.600111.6P3P3-Q5 PolarHBondContact O-N 3.09Å
6Q93.6Very high89.4Confident130 Ų13079.1 Ų79.161%0.60744%0.442SS*.  trans-57.4145.6174.6-71.4-179.2-22.800112.1A4 V23A4-Q6 PolarHBondContact O-N 3.24Å; A4-Q6 VanDerWaalsContact O-N 3.09Å; Q6-V23 HydrophobicContact CB-CB 4.33Å; Q6-V23 HydrophobicContact CB-CG2 3.92Å; Q6-V23 PolarHBondContact O-N 3.18Å
7S95.9Very high89.8Confident12 Ų1278.6 Ų78.68%0.08444%0.438CS..EExtended strand (participates in β ladder)trans-128.2158.5176.5-64.80000110.3E46 G47 G49 C52S7-E46 WeakPolarHBondContact O-CA 3.3Å; S7-G47 PolarHBondContact N-O 3.21Å; S7-G47 PolarHBondContact O-N 3.3Å; S7-G49 WeakPolarHBondContact OG-CA 3.42Å; S7-C52 VanDerWaalsContact C-SG 3.5Å; S7-C52 PolarHBondContact O-SG 2.95Å
8R96.3Very high90.2Very high25 Ų2575.3 Ų75.39%0.09442%0.418CS..EExtended strand (participates in β ladder)trans-140.7152177.858.5-173.9172-157.2-2.7112.6L10 H21 V23 A43 G45 E46R8-L10 HydrophobicContact CG-CD2 4.07Å; R8-H21 WeakPolarHBondContact CG-O 3.38Å; R8-H21 PolarHBondContact N-O 3.26Å; R8-H21 PolarHBondContact O-N 3.09Å; R8-V23 HydrophobicContact CB-CG2 4.45Å; R8-V23 HydrophobicContact CG-CG2 4.14Å; R8-A43 HydrophobicContact CB-CB 4.27Å; R8-G45 CarbonylContact C-O 3.53Å; R8-G45 VanDerWaalsContact CA-O 3.31Å; R8-G45 WeakPolarHBondContact CA-O 3.33Å; R8-E46 HydrophobicContact CB-CB 4.32Å; R8-E46 HydrophobicContact CB-CG 3.66Å; R8-E46 WeakPolarHBondContact CB-OE1 3.09Å; R8-E46 WeakPolarHBondContact CD-OE1 3.28Å; R8-E46 IonicContact NH1-OE1 2.7Å; R8-E46 PolarHBondContact NH1-OE1 3.03Å
9V97.5Very high90.6Very high1 Ų172.5 Ų72.51%0.00640%0.402CS..EExtended strand (participates in β ladder)trans-98.2121.4-179.7-178.90000109.7F18 Q19 Y44 G45 C52 H55 V56 L59V9-F18 HydrophobicContact CG1-CB 4.23Å; V9-F18 HydrophobicContact CG1-CD1 4.31Å; V9-Q19 WeakPolarHBondContact CA-O 3.23Å; V9-Y44 PolarHBondContact O-N 2.96Å; V9-G45 PolarHBondContact N-O 3.24Å; V9-C52 HydrophobicContact CG2-CB 3.9Å; V9-H55 HydrophobicContact CG2-CB 4.42Å; V9-V56 HydrophobicContact CB-CG2 4.25Å; V9-V56 HydrophobicContact CG1-CG2 3.54Å; V9-V56 HydrophobicContact CG2-CG2 3.8Å; V9-L59 HydrophobicContact CG1-CD1 4.05Å
10L97.2Very high90.9Very high4 Ų470.7 Ų70.72%0.02140%0.397CS..EExtended strand (participates in β ladder)trans-115.5150.1-179.1-51.8-176.1000109.7R8 F18 Q19 H21 W29 F40R8-L10 HydrophobicContact CG-CD2 4.07Å; L10-F18 CarbonylContact O-C 3.53Å; L10-F18 VanDerWaalsContact O-CA 3.28Å; L10-F18 WeakPolarHBondContact O-CA 3.43Å; L10-Q19 PolarHBondContact N-O 2.84Å; L10-Q19 PolarHBondContact O-N 3.44Å; L10-H21 HydrophobicContact CD1-CB 3.73Å; L10-H21 HydrophobicContact CG-CB 4.15Å; L10-W29 HydrophobicContact CB-CH2 3.96Å; L10-W29 HydrophobicContact CB-CZ2 3.94Å; L10-W29 HydrophobicContact CB-CZ3 4.33Å; L10-W29 HydrophobicContact CD1-CB 4.5Å; L10-W29 HydrophobicContact CD1-CD2 3.57Å; L10-W29 HydrophobicContact CD1-CE3 3.97Å; L10-W29 HydrophobicContact CD1-CG 3.81Å; L10-W29 HydrophobicContact CD1-CZ2 4.24Å; L10-W29 HydrophobicContact CD1-CZ3 4.46Å; L10-F40 HydrophobicContact CD1-CD2 4.45Å; L10-F40 HydrophobicContact CD2-CD2 3.47Å; L10-F40 VanDerWaalsContact CD2-CD2 3.47Å; L10-F40 HydrophobicContact CD2-CE2 3.52Å
11R97.4Very high91.1Very high86 Ų8668.7 Ų68.733%0.32538%0.384SS..EExtended strand (participates in β ladder)trans-105.7133.7171.5-162.5-175.4-171.5-165.74.9109.5R16 F18 Y44R11-R16 WeakPolarHBondContact CG-O 3.49Å; R11-R16 PolarHBondContact NE-O 3.36Å; R11-F18 HydrophobicContact CB-CD1 3.75Å; R11-F18 HydrophobicContact CB-CE1 3.64Å; R11-F18 HydrophobicContact CB-CZ 4.42Å; R11-F18 HydrophobicContact CG-CD1 3.87Å; R11-F18 HydrophobicContact CG-CE1 3.62Å; R11-F18 HydrophobicContact CG-CE2 4.4Å; R11-F18 HydrophobicContact CG-CG 4.38Å; R11-F18 HydrophobicContact CG-CZ 3.92Å; R11-Y44 HydrophobicContact CB-CD2 4.11Å; R11-Y44 HydrophobicContact CB-CE2 3.54Å
12C96.7Very high92.6Very high2 Ų261 Ų611%0.01435%0.345CS..  trans-67.1143.3174-171.70000111.5S14 R16 L17 W29 C31 Q38C12-S14 PolarHBondContact SG-N 3.26Å; C12-R16 VanDerWaalsContact O-CA 3.3Å; C12-R16 WeakPolarHBondContact O-CA 3.1Å; C12-L17 PolarHBondContact N-O 3.06Å; C12-W29 HydrophobicContact CB-CH2 4.46Å; C12-C31 VanDerWaalsContact SG-SG 3.61Å; C12-Q38 PolarHBondContact SG-NE2 3.07Å
13C95.1Very high93.8Very high62 Ų6259 Ų5942%0.41932%0.324SS..SBendtrans-69.1-46.8170.4600000111.9R16 Q38C13-R16 VanDerWaalsContact O-CD 3.3Å; C13-R16 WeakPolarHBondContact O-CD 3.48Å; C13-R16 PolarHBondContact O-NE 3.02Å; C13-R16 PolarHBondContact O-NH1 3.43Å; C13-R16 VanDerWaalsContact O-NH1 3.11Å; C13-Q38 VanDerWaalsContact SG-CG 3.55Å; C13-Q38 PolarHBondContact SG-OE1 3.43Å; C13-Q38 VanDerWaalsContact SG-OE1 3.37Å
14S95.8Very high94.6Very high64 Ų6458.8 Ų58.845%0.44831%0.31SS..SBendtrans-81-72.6-172.4-38.60000111.6C12 R16C12-S14 PolarHBondContact SG-N 3.26Å; S14-R16 PolarHBondContact O-N 3.36Å; S14-R16 VanDerWaalsContact O-N 3.16Å
15C94.9Very high95.2Very high47 Ų4764.7 Ų64.732%0.31832%0.317SS..SBendtrans-784.4-178.170.80000115L17 C34C15-L17 PolarHBondContact O-N 3.27Å; C15-C34 HydrophobicContact CB-CB 4.05Å; C15-C34 VanDerWaalsContact SG-SG 3.65Å
16R95.3Very high95.2Very high135 Ų13560.8 Ų60.851%0.50931%0.306SS..  trans56.1-4.9177.6-56.3-57.9-170.8-177.32.5118.2R11 C12 C13 S14 Q63R11-R16 WeakPolarHBondContact CG-O 3.49Å; R11-R16 PolarHBondContact NE-O 3.36Å; C12-R16 VanDerWaalsContact O-CA 3.3Å; C12-R16 WeakPolarHBondContact O-CA 3.1Å; C13-R16 VanDerWaalsContact O-CD 3.3Å; C13-R16 WeakPolarHBondContact O-CD 3.48Å; C13-R16 PolarHBondContact O-NE 3.02Å; C13-R16 PolarHBondContact O-NH1 3.43Å; C13-R16 VanDerWaalsContact O-NH1 3.11Å; S14-R16 PolarHBondContact O-N 3.36Å; S14-R16 VanDerWaalsContact O-N 3.16Å; R16-Q63 VanDerWaalsContact CB-NE2 3.29Å; R16-Q63 PolarHBondContact O-NE2 3.01Å; R16-Q63 PolarHBondContact O-OE1 3.05Å; R16-Q63 VanDerWaalsContact O-OE1 3.07Å
17L96.8Very high95.1Very high70 Ų7059.6 Ų59.637%0.36630%0.303SS..  trans-65144.4-179.8-70.3171.7000113.3C12 C15 A33C12-L17 PolarHBondContact N-O 3.06Å; C15-L17 PolarHBondContact O-N 3.27Å; L17-A33 HydrophobicContact CD1-CB 3.79Å
18F97.6Very high95.1Very high19 Ų1967.4 Ų67.48%0.08334%0.336CS..EExtended strand (participates in β ladder)trans-84.5141.5171.7-62.7-84.2000111.9V9 L10 R11 Y44 V56 L59 N60 Q63V9-F18 HydrophobicContact CG1-CB 4.23Å; V9-F18 HydrophobicContact CG1-CD1 4.31Å; L10-F18 CarbonylContact O-C 3.53Å; L10-F18 VanDerWaalsContact O-CA 3.28Å; L10-F18 WeakPolarHBondContact O-CA 3.43Å; R11-F18 HydrophobicContact CB-CD1 3.75Å; R11-F18 HydrophobicContact CB-CE1 3.64Å; R11-F18 HydrophobicContact CB-CZ 4.42Å; R11-F18 HydrophobicContact CG-CD1 3.87Å; R11-F18 HydrophobicContact CG-CE1 3.62Å; R11-F18 HydrophobicContact CG-CE2 4.4Å; R11-F18 HydrophobicContact CG-CG 4.38Å; R11-F18 HydrophobicContact CG-CZ 3.92Å; F18-Y44 HydrophobicContact CD1-CD2 4.46Å; F18-Y44 HydrophobicContact CD1-CG 4.28Å; F18-Y44 AromaticContact CE1-CD1 3.65Å; F18-Y44 HydrophobicContact CE1-CD1 3.65Å; F18-Y44 HydrophobicContact CE1-CD2 4.11Å; F18-Y44 AromaticContact CE1-CE1 3.83Å; F18-Y44 HydrophobicContact CE1-CE1 3.83Å; F18-Y44 HydrophobicContact CE1-CE2 4.29Å; F18-Y44 AromaticContact CE1-CG 3.79Å; F18-Y44 HydrophobicContact CE1-CG 3.79Å; F18-Y44 HydrophobicContact CZ-CD1 4.41Å; F18-Y44 HydrophobicContact CZ-CE1 4.37Å; F18-V56 WeakPolarHBondContact O-CG1 3.3Å; F18-L59 HydrophobicContact CB-CB 4.17Å; F18-L59 HydrophobicContact CB-CD1 4.35Å; F18-L59 HydrophobicContact CD1-CB 4.38Å; F18-L59 HydrophobicContact CD1-CD1 3.61Å; F18-L59 HydrophobicContact CD2-CB 3.53Å; F18-L59 HydrophobicContact CD2-CD1 4.26Å; F18-L59 HydrophobicContact CD2-CG 4.5Å; F18-L59 HydrophobicContact CE1-CD1 3.83Å; F18-L59 HydrophobicContact CE2-CB 3.89Å; F18-L59 HydrophobicContact CE2-CD1 4.44Å; F18-L59 HydrophobicContact CG-CB 3.78Å; F18-L59 HydrophobicContact CG-CD1 3.82Å; F18-L59 HydrophobicContact CG-CG 4.48Å; F18-L59 HydrophobicContact CZ-CB 4.47Å; F18-L59 HydrophobicContact CZ-CD1 4.24Å; F18-N60 WeakPolarHBondContact CB-OD1 3.48Å; F18-N60 PolarHBondContact N-OD1 2.86Å; F18-N60 PolarHBondContact O-ND2 3.43Å; F18-Q63 HydrophobicContact CE2-CB 4.48Å
19Q97.3Very high95.1Very high23 Ų2367 Ų6711%0.10733%0.334CS..EExtended strand (participates in β ladder)trans-143.8141-174.3-75.316379.900111.8V9 L10 C31V9-Q19 WeakPolarHBondContact CA-O 3.23Å; L10-Q19 PolarHBondContact N-O 2.84Å; L10-Q19 PolarHBondContact O-N 3.44Å; Q19-C31 PolarHBondContact NE2-SG 3.04Å
20A96.6Very high95.1Very high36 Ų3670.3 Ų70.330%0.29835%0.354SS..EExtended strand (participates in β ladder)trans-84.2117.7171.800000109.6C52 V56A20-C52 HydrophobicContact CB-CB 4.05Å; A20-V56 HydrophobicContact CB-CG2 4.16Å
21H95.5Very high95.1Very high29 Ų2970.2 Ų70.213%0.13435%0.354CS..EExtended strand (participates in β ladder)trans-118.1128.8176.9-170.7-80000109.5R8 L10R8-H21 WeakPolarHBondContact CG-O 3.38Å; R8-H21 PolarHBondContact N-O 3.26Å; R8-H21 PolarHBondContact O-N 3.09Å; L10-H21 HydrophobicContact CD1-CB 3.73Å; L10-H21 HydrophobicContact CG-CB 4.15Å
22Q94.5Very high95Very high81 Ų8174.8 Ų74.838%0.37938%0.376SS..EExtended strand (participates in β ladder)trans-63.1141.4175.3-178.3166.278.300110.6K24Q22-K24 PolarHBondContact O-N 2.95Å; Q22-K24 VanDerWaalsContact O-N 3.15Å
23V93.8Very high95Very high54 Ų5477.8 Ų77.833%0.32740%0.401SS..  trans-66.4118.8179.3179.70000109.1Q6 R8Q6-V23 HydrophobicContact CB-CB 4.33Å; Q6-V23 HydrophobicContact CB-CG2 3.92Å; Q6-V23 PolarHBondContact O-N 3.18Å; R8-V23 HydrophobicContact CB-CG2 4.45Å; R8-V23 HydrophobicContact CG-CG2 4.14Å
24K92.1Very high95.1Very high112 Ų11277.7 Ų77.749%0.48740%0.4SS..  trans-117.1154.1175.4-67.7-173.9-179.9-179.70109.3Q22 S26Q22-K24 PolarHBondContact O-N 2.95Å; Q22-K24 VanDerWaalsContact O-N 3.15Å; K24-S26 PolarHBondContact O-N 3.33Å
25K90.6Very high95.1Very high224 Ų22477 Ų7797%0.97440%0.403SS*.SBendtrans-58.4-31.6171.9-61.4-176.9-179.8-177.60112.1
26S89.5Confident95.2Very high60 Ų6078.6 Ų78.642%0.4241%0.406SS..  trans-76.6127.6175.458.40000111.9K24 K28K24-S26 PolarHBondContact O-N 3.33Å; S26-K28 PolarHBondContact O-N 3.4Å
27L91.5Very high95.3Very high106 Ų10680.3 Ų80.356%0.55542%0.417SS*.SBendtrans-75.6-7.7168.5-61.1-175.9000113.3S39 F40L27-S39 CarbonylContact O-C 3.5Å; L27-F40 HydrophobicContact CB-CB 4.2Å; L27-F40 HydrophobicContact CD2-CB 4.25Å; L27-F40 HydrophobicContact CD2-CD1 4.02Å; L27-F40 HydrophobicContact CD2-CG 4.38Å; L27-F40 WeakPolarHBondContact O-CB 3.44Å; L27-F40 PolarHBondContact O-N 3.31Å
28K95.3Very high95.3Very high176 Ų17678 Ų7877%0.76540%0.404SS*.EExtended strand (participates in β ladder)trans-83136.3172.4-64.5-178.51801790110.4S26 Q38S26-K28 PolarHBondContact O-N 3.4Å; K28-Q38 WeakPolarHBondContact CA-O 3.42Å
29W96.3Very high95.2Very high16 Ų1680.7 Ų80.76%0.06143%0.426CS..EExtended strand (participates in β ladder)trans-142.5172.3176.670.6-71.5000110.7L10 C12 C31 Q38 S39L10-W29 HydrophobicContact CB-CH2 3.96Å; L10-W29 HydrophobicContact CB-CZ2 3.94Å; L10-W29 HydrophobicContact CB-CZ3 4.33Å; L10-W29 HydrophobicContact CD1-CB 4.5Å; L10-W29 HydrophobicContact CD1-CD2 3.57Å; L10-W29 HydrophobicContact CD1-CE3 3.97Å; L10-W29 HydrophobicContact CD1-CG 3.81Å; L10-W29 HydrophobicContact CD1-CZ2 4.24Å; L10-W29 HydrophobicContact CD1-CZ3 4.46Å; C12-W29 HydrophobicContact CB-CH2 4.46Å; W29-C31 HydrophobicContact CZ3-CB 4.46Å; W29-Q38 VanDerWaalsContact CD1-O 3.27Å; W29-Q38 HydrophobicContact CD2-CB 4.36Å; W29-Q38 HydrophobicContact CG-CB 4.5Å; W29-Q38 HydrophobicContact CZ2-CB 4.09Å; W29-Q38 VanDerWaalsContact CZ2-OE1 3.31Å; W29-Q38 PolarHBondContact N-O 3.37Å; W29-Q38 PolarHBondContact O-N 3.21Å; W29-Q38 VanDerWaalsContact O-O 3.13Å; W29-S39 PolarHBondContact NE1-O 2.97Å
30T97.1Very high95Very high71 Ų7182.1 Ų82.144%0.43643%0.432SS..EExtended strand (participates in β ladder)trans-132.1135.6179.1-51.80000109.9K32 G35 E36 K37T30-K32 PolarHBondContact O-N 3.21Å; T30-G35 WeakPolarHBondContact CG2-O 3.48Å; T30-E36 CarbonylContact C-O 3.59Å; T30-E36 WeakPolarHBondContact CA-O 3.37Å; T30-K37 HydrophobicContact CG2-CG 4.39Å
31C97.1Very high94.7Very high1 Ų186.5 Ų86.51%0.00746%0.455CS..  trans-67.8123173.4178.70000110.6C12 Q19 W29 A33 C34 G35 E36C12-C31 VanDerWaalsContact SG-SG 3.61Å; Q19-C31 PolarHBondContact NE2-SG 3.04Å; W29-C31 HydrophobicContact CZ3-CB 4.46Å; C31-A33 VanDerWaalsContact C-N 3.28Å; C31-A33 PolarHBondContact O-N 3.33Å; C31-A33 PolarHBondContact SG-N 3.37Å; C31-A33 VanDerWaalsContact SG-N 3.44Å; C31-C34 PolarHBondContact SG-N 3.28Å; C31-C34 VanDerWaalsContact SG-N 3.4Å; C31-C34 PolarHBondContact SG-SG 3.46Å; C31-G35 VanDerWaalsContact O-CA 3.27Å; C31-G35 WeakPolarHBondContact O-CA 3.48Å; C31-G35 PolarHBondContact O-N 3.21Å; C31-E36 HydrophobicContact CB-CB 4.32Å; C31-E36 PolarHBondContact N-O 3.11Å
32K95.8Very high94.7Very high183 Ų18392.6 Ų92.680%0.79648%0.476SS*.THydrogen-bonded Turntrans-72.2-19.6177.7-65.5-176176.3-178.40113.9T30T30-K32 PolarHBondContact O-N 3.21Å
33A95.9Very high94.7Very high65 Ų6590.1 Ų90.154%0.53747%0.469SS..THydrogen-bonded Turntrans-90.6-39.1-177.700000113.3L17 C31L17-A33 HydrophobicContact CD1-CB 3.79Å; C31-A33 VanDerWaalsContact C-N 3.28Å; C31-A33 PolarHBondContact O-N 3.33Å; C31-A33 PolarHBondContact SG-N 3.37Å; C31-A33 VanDerWaalsContact SG-N 3.44Å
34C97Very high94.8Very high59 Ų5991.9 Ų91.940%0.39947%0.471SS..THydrogen-bonded Turntrans-1249.8-17675.50000114.4C15 C31 E36C15-C34 HydrophobicContact CB-CB 4.05Å; C15-C34 VanDerWaalsContact SG-SG 3.65Å; C31-C34 PolarHBondContact SG-N 3.28Å; C31-C34 VanDerWaalsContact SG-N 3.4Å; C31-C34 PolarHBondContact SG-SG 3.46Å; C34-E36 PolarHBondContact O-N 3.37Å
35G96.4Very high95Very high49 Ų4987.7 Ų87.751%0.50546%0.46SS..  trans71.9-8.1176.900000116.5T30 C31T30-G35 WeakPolarHBondContact CG2-O 3.48Å; C31-G35 VanDerWaalsContact O-CA 3.27Å; C31-G35 WeakPolarHBondContact O-CA 3.48Å; C31-G35 PolarHBondContact O-N 3.21Å
36E97.4Very high95.2Very high82 Ų8282.5 Ų82.538%0.38344%0.439SS..  trans-64.2132.4-170.3-174.361.1-88.700113.9T30 C31 C34 Q38T30-E36 CarbonylContact C-O 3.59Å; T30-E36 WeakPolarHBondContact CA-O 3.37Å; C31-E36 HydrophobicContact CB-CB 4.32Å; C31-E36 PolarHBondContact N-O 3.11Å; C34-E36 PolarHBondContact O-N 3.37Å; E36-Q38 HydrophobicContact CG-CG 4.03Å; E36-Q38 PolarHBondContact O-NE2 3.34Å
37K96.8Very high95.5Very high171 Ų17181.2 Ų81.274%0.74344%0.435SS*.EExtended strand (participates in β ladder)trans-90.7119.1-178.7-66.7172.8-175.8167.60110.2T30T30-K37 HydrophobicContact CG2-CG 4.39Å
38Q96.3Very high95.7Very high21 Ų2179.1 Ų79.110%0.09843%0.429CS..EExtended strand (participates in β ladder)trans-130.5154.2-167.5-77.716080.100113.1C12 C13 K28 W29 E36C12-Q38 PolarHBondContact SG-NE2 3.07Å; C13-Q38 VanDerWaalsContact SG-CG 3.55Å; C13-Q38 PolarHBondContact SG-OE1 3.43Å; C13-Q38 VanDerWaalsContact SG-OE1 3.37Å; K28-Q38 WeakPolarHBondContact CA-O 3.42Å; W29-Q38 VanDerWaalsContact CD1-O 3.27Å; W29-Q38 HydrophobicContact CD2-CB 4.36Å; W29-Q38 HydrophobicContact CG-CB 4.5Å; W29-Q38 HydrophobicContact CZ2-CB 4.09Å; W29-Q38 VanDerWaalsContact CZ2-OE1 3.31Å; W29-Q38 PolarHBondContact N-O 3.37Å; W29-Q38 PolarHBondContact O-N 3.21Å; W29-Q38 VanDerWaalsContact O-O 3.13Å; E36-Q38 HydrophobicContact CG-CG 4.03Å; E36-Q38 PolarHBondContact O-NE2 3.34Å
39S95.6Very high95.7Very high76 Ų7671.5 Ų71.553%0.53140%0.401SS..EExtended strand (participates in β ladder)trans-80.4153.6160.250.30000110.9L27 W29 V41L27-S39 CarbonylContact O-C 3.5Å; W29-S39 PolarHBondContact NE1-O 2.97Å; S39-V41 PolarHBondContact O-N 3.37Å
40F93.9Very high95.7Very high53 Ų5372.2 Ų72.223%0.23241%0.41CS..  trans-73.1117.3164.7171.6-96.4000108.6L10 L27 A43L10-F40 HydrophobicContact CD1-CD2 4.45Å; L10-F40 HydrophobicContact CD2-CD2 3.47Å; L10-F40 VanDerWaalsContact CD2-CD2 3.47Å; L10-F40 HydrophobicContact CD2-CE2 3.52Å; L27-F40 HydrophobicContact CB-CB 4.2Å; L27-F40 HydrophobicContact CD2-CB 4.25Å; L27-F40 HydrophobicContact CD2-CD1 4.02Å; L27-F40 HydrophobicContact CD2-CG 4.38Å; L27-F40 WeakPolarHBondContact O-CB 3.44Å; L27-F40 PolarHBondContact O-N 3.31Å; F40-A43 HydrophobicContact CE2-CB 3.98Å; F40-A43 HydrophobicContact CZ-CB 4.08Å
41V91.3Very high95.6Very high128 Ų12872.6 Ų72.678%0.77641%0.409SS*.  trans-100.1-49.6176-178.80000110.8S39S39-V41 PolarHBondContact O-N 3.37Å
42R93.8Very high95.6Very high157 Ų15772.8 Ų72.859%0.59241%0.41SS*.  trans-157.5146.3-179.2-174.8172.565.1-175.5-2.6110.5Y44R42-Y44 PolarHBondContact NH2-OH 3Å
43A95.6Very high95.6Very high28 Ų2871.4 Ų71.423%0.23140%0.4CS..  trans-87.4136.316600000110.4R8 F40 E46R8-A43 HydrophobicContact CB-CB 4.27Å; F40-A43 HydrophobicContact CE2-CB 3.98Å; F40-A43 HydrophobicContact CZ-CB 4.08Å; A43-E46 HydrophobicContact CB-CG 3.56Å; A43-E46 WeakPolarHBondContact CB-OE1 3.49Å
44Y95.7Very high95.7Very high91 Ų9175.6 Ų75.636%0.35740%0.402SS..SBendtrans-89.3-13.4173.9-74.1-99.2000112.5V9 R11 F18 R42V9-Y44 PolarHBondContact O-N 2.96Å; R11-Y44 HydrophobicContact CB-CD2 4.11Å; R11-Y44 HydrophobicContact CB-CE2 3.54Å; F18-Y44 HydrophobicContact CD1-CD2 4.46Å; F18-Y44 HydrophobicContact CD1-CG 4.28Å; F18-Y44 AromaticContact CE1-CD1 3.65Å; F18-Y44 HydrophobicContact CE1-CD1 3.65Å; F18-Y44 HydrophobicContact CE1-CD2 4.11Å; F18-Y44 AromaticContact CE1-CE1 3.83Å; F18-Y44 HydrophobicContact CE1-CE1 3.83Å; F18-Y44 HydrophobicContact CE1-CE2 4.29Å; F18-Y44 AromaticContact CE1-CG 3.79Å; F18-Y44 HydrophobicContact CE1-CG 3.79Å; F18-Y44 HydrophobicContact CZ-CD1 4.41Å; F18-Y44 HydrophobicContact CZ-CE1 4.37Å; R42-Y44 PolarHBondContact NH2-OH 3Å
45G95.6Very high95.8Very high25 Ų2575.4 Ų75.426%0.25840%0.395SS..EExtended strand (participates in β ladder)trans-177.3149171.100000109.2R8 V9R8-G45 CarbonylContact C-O 3.53Å; R8-G45 VanDerWaalsContact CA-O 3.31Å; R8-G45 WeakPolarHBondContact CA-O 3.33Å; V9-G45 PolarHBondContact N-O 3.24Å
46E95.9Very high95.8Very high115 Ų11574 Ų7454%0.53738%0.377SS..EExtended strand (participates in β ladder)trans-133.7150.3177.8-52.9-157.2134.100110S7 R8 A43S7-E46 WeakPolarHBondContact O-CA 3.3Å; R8-E46 HydrophobicContact CB-CB 4.32Å; R8-E46 HydrophobicContact CB-CG 3.66Å; R8-E46 WeakPolarHBondContact CB-OE1 3.09Å; R8-E46 WeakPolarHBondContact CD-OE1 3.28Å; R8-E46 IonicContact NH1-OE1 2.7Å; R8-E46 PolarHBondContact NH1-OE1 3.03Å; A43-E46 HydrophobicContact CB-CG 3.56Å; A43-E46 WeakPolarHBondContact CB-OE1 3.49Å
47G95.1Very high95.9Very high32 Ų3276.5 Ų76.533%0.3339%0.389SS..EExtended strand (participates in β ladder)trans157.6-146-17900000113.7S7S7-G47 PolarHBondContact N-O 3.21Å; S7-G47 PolarHBondContact O-N 3.3Å
48S95.9Very high95.9Very high63 Ų6374.9 Ų74.944%0.44138%0.382SS..  trans-64.2148.1174.3177.70000111.6A50 D51 C52S48-A50 PolarHBondContact O-N 2.85Å; S48-A50 PolarHBondContact OG-N 3.43Å; S48-D51 WeakPolarHBondContact CB-OD2 3.37Å; S48-D51 PolarHBondContact O-N 2.73Å; S48-C52 WeakPolarHBondContact O-CB 3.35Å; S48-C52 PolarHBondContact O-N 2.87Å; S48-C52 PolarHBondContact O-SG 3.07Å
49G94.9Very high96Very high16 Ų1675.7 Ų75.717%0.16539%0.386CS..Hα-helixtrans-60.4-25.1171.800000113.6S7 R53S7-G49 WeakPolarHBondContact OG-CA 3.42Å; G49-R53 VanDerWaalsContact O-CG 3.3Å; G49-R53 WeakPolarHBondContact O-CG 3.36Å; G49-R53 VanDerWaalsContact O-CZ 3.27Å; G49-R53 PolarHBondContact O-N 2.84Å; G49-R53 PolarHBondContact O-NE 2.95Å; G49-R53 PolarHBondContact O-NH1 3.19Å
50A95.7Very high96Very high30 Ų3074.3 Ų74.325%0.24837%0.373CS..Hα-helixtrans-70-46.4174.400000111.9S48 R53 R54S48-A50 PolarHBondContact O-N 2.85Å; S48-A50 PolarHBondContact OG-N 3.43Å; A50-R53 WeakPolarHBondContact O-CB 3.43Å; A50-R53 PolarHBondContact O-N 3.37Å; A50-R54 PolarHBondContact O-N 3.41Å
51D96.3Very high96.2Very high80 Ų8077 Ų7743%0.42839%0.389SS..Hα-helixtrans-78.2-32.4-175.2-52.9-48.1000111.5S48 R53 R54 H55S48-D51 WeakPolarHBondContact CB-OD2 3.37Å; S48-D51 PolarHBondContact O-N 2.73Å; D51-R53 VanDerWaalsContact C-N 3.27Å; D51-R53 PolarHBondContact O-N 3.33Å; D51-R54 PolarHBondContact O-N 2.82Å; D51-R54 IonicContact OD1-CZ 3.38Å; D51-R54 IonicContact OD1-NE 3.22Å; D51-R54 PolarHBondContact OD1-NE 3.48Å; D51-R54 IonicContact OD1-NH2 2.85Å; D51-R54 PolarHBondContact OD1-NH2 3.43Å; D51-H55 VanDerWaalsContact O-CB 3.3Å; D51-H55 WeakPolarHBondContact O-CB 3.38Å; D51-H55 PolarHBondContact O-N 2.95Å
52C96.9Very high96.3Very high4 Ų474.7 Ų74.73%0.02737%0.372CS..Hα-helixtrans-60-35.6168-670000112.3S7 V9 A20 S48 V56S7-C52 VanDerWaalsContact C-SG 3.5Å; S7-C52 PolarHBondContact O-SG 2.95Å; V9-C52 HydrophobicContact CG2-CB 3.9Å; A20-C52 HydrophobicContact CB-CB 4.05Å; S48-C52 WeakPolarHBondContact O-CB 3.35Å; S48-C52 PolarHBondContact O-N 2.87Å; S48-C52 PolarHBondContact O-SG 3.07Å; C52-V56 WeakPolarHBondContact O-CB 3.37Å; C52-V56 WeakPolarHBondContact O-CG2 3.46Å; C52-V56 PolarHBondContact O-N 3.31Å
53R96.4Very high96.4Very high154 Ų15469.5 Ų69.558%0.58135%0.354SS*.Hα-helixtrans-67.3-48.2174.3-75-178-59.2-104.212.6111.5G49 A50 D51 H55 V56 Q57G49-R53 VanDerWaalsContact O-CG 3.3Å; G49-R53 WeakPolarHBondContact O-CG 3.36Å; G49-R53 VanDerWaalsContact O-CZ 3.27Å; G49-R53 PolarHBondContact O-N 2.84Å; G49-R53 PolarHBondContact O-NE 2.95Å; G49-R53 PolarHBondContact O-NH1 3.19Å; A50-R53 WeakPolarHBondContact O-CB 3.43Å; A50-R53 PolarHBondContact O-N 3.37Å; D51-R53 VanDerWaalsContact C-N 3.27Å; D51-R53 PolarHBondContact O-N 3.33Å; R53-H55 VanDerWaalsContact C-N 3.34Å; R53-H55 PolarHBondContact O-N 2.78Å; R53-V56 PolarHBondContact O-N 3.08Å; R53-Q57 WeakPolarHBondContact O-CG 3.28Å; R53-Q57 PolarHBondContact O-N 3.16Å; R53-Q57 PolarHBondContact O-OE1 3Å
54R97.8Very high96.2Very high154 Ų15470 Ų7058%0.58136%0.362SS*.Hα-helixtrans-58.7-43.2176-72.9-174.7-91.4-119.26.1112.3A50 D51 Q57 K58A50-R54 PolarHBondContact O-N 3.41Å; D51-R54 PolarHBondContact O-N 2.82Å; D51-R54 IonicContact OD1-CZ 3.38Å; D51-R54 IonicContact OD1-NE 3.22Å; D51-R54 PolarHBondContact OD1-NE 3.48Å; D51-R54 IonicContact OD1-NH2 2.85Å; D51-R54 PolarHBondContact OD1-NH2 3.43Å; R54-Q57 PolarHBondContact O-N 3.41Å; R54-K58 PolarHBondContact O-N 2.92Å; R54-K58 VanDerWaalsContact O-N 3.07Å
55H97.7Very high96Very high55 Ų5569.9 Ų69.926%0.25537%0.365SS..Hα-helixtrans-66-40.8178.2-166.476.4000112.2V9 D51 R53 Q57 K58 L59V9-H55 HydrophobicContact CG2-CB 4.42Å; D51-H55 VanDerWaalsContact O-CB 3.3Å; D51-H55 WeakPolarHBondContact O-CB 3.38Å; D51-H55 PolarHBondContact O-N 2.95Å; R53-H55 VanDerWaalsContact C-N 3.34Å; R53-H55 PolarHBondContact O-N 2.78Å; H55-Q57 PolarHBondContact O-N 3.03Å; H55-K58 PolarHBondContact O-N 3.42Å; H55-L59 WeakPolarHBondContact NE2-CD1 2.98Å; H55-L59 WeakPolarHBondContact O-CB 3.27Å; H55-L59 WeakPolarHBondContact O-CG 3.14Å; H55-L59 PolarHBondContact O-N 2.93Å
56V97.9Very high95.6Very high20 Ų2073.5 Ų73.512%0.12138%0.382CS..Hα-helixtrans-60.9-42.4173.1162.90000112.3V9 F18 A20 C52 R53 L59 N60V9-V56 HydrophobicContact CB-CG2 4.25Å; V9-V56 HydrophobicContact CG1-CG2 3.54Å; V9-V56 HydrophobicContact CG2-CG2 3.8Å; F18-V56 WeakPolarHBondContact O-CG1 3.3Å; A20-V56 HydrophobicContact CB-CG2 4.16Å; C52-V56 WeakPolarHBondContact O-CB 3.37Å; C52-V56 WeakPolarHBondContact O-CG2 3.46Å; C52-V56 PolarHBondContact O-N 3.31Å; R53-V56 PolarHBondContact O-N 3.08Å; V56-L59 PolarHBondContact O-N 2.74Å; V56-N60 WeakPolarHBondContact O-CB 3.4Å; V56-N60 PolarHBondContact O-N 3.04Å; V56-N60 PolarHBondContact O-ND2 2.97Å
57Q97.9Very high95.2Very high134 Ų13471.4 Ų71.463%0.62638%0.38SS*.Hα-helixtrans-60.2-49.1175.8-71.3168-54.900110.8R53 R54 H55 L59 L61R53-Q57 WeakPolarHBondContact O-CG 3.28Å; R53-Q57 PolarHBondContact O-N 3.16Å; R53-Q57 PolarHBondContact O-OE1 3Å; R54-Q57 PolarHBondContact O-N 3.41Å; H55-Q57 PolarHBondContact O-N 3.03Å; Q57-L59 PolarHBondContact O-N 3.3Å; Q57-L61 WeakPolarHBondContact O-CB 3.39Å; Q57-L61 PolarHBondContact O-N 2.88Å
58K97.7Very high94.7Very high137 Ų13775.6 Ų75.660%0.59639%0.391SS*.Hα-helixtrans-60.3-46.4176.6-178.3169-179.6170.50112.6R54 H55 L61 L62R54-K58 PolarHBondContact O-N 2.92Å; R54-K58 VanDerWaalsContact O-N 3.07Å; H55-K58 PolarHBondContact O-N 3.42Å; K58-L61 PolarHBondContact O-N 3.26Å; K58-L62 HydrophobicContact CG-CD1 3.93Å; K58-L62 HydrophobicContact CG-CG 4.42Å; K58-L62 WeakPolarHBondContact O-CB 3.31Å; K58-L62 WeakPolarHBondContact O-CG 3.42Å; K58-L62 PolarHBondContact O-N 3.1Å
59L97.6Very high93.9Very high37 Ų3778.4 Ų78.419%0.19440%0.4CS..Hα-helixtrans-66.3-41.1-178.6-72.4-178.3000112.9V9 F18 H55 V56 Q57 Q63V9-L59 HydrophobicContact CG1-CD1 4.05Å; F18-L59 HydrophobicContact CB-CB 4.17Å; F18-L59 HydrophobicContact CB-CD1 4.35Å; F18-L59 HydrophobicContact CD1-CB 4.38Å; F18-L59 HydrophobicContact CD1-CD1 3.61Å; F18-L59 HydrophobicContact CD2-CB 3.53Å; F18-L59 HydrophobicContact CD2-CD1 4.26Å; F18-L59 HydrophobicContact CD2-CG 4.5Å; F18-L59 HydrophobicContact CE1-CD1 3.83Å; F18-L59 HydrophobicContact CE2-CB 3.89Å; F18-L59 HydrophobicContact CE2-CD1 4.44Å; F18-L59 HydrophobicContact CG-CB 3.78Å; F18-L59 HydrophobicContact CG-CD1 3.82Å; F18-L59 HydrophobicContact CG-CG 4.48Å; F18-L59 HydrophobicContact CZ-CB 4.47Å; F18-L59 HydrophobicContact CZ-CD1 4.24Å; H55-L59 WeakPolarHBondContact NE2-CD1 2.98Å; H55-L59 WeakPolarHBondContact O-CB 3.27Å; H55-L59 WeakPolarHBondContact O-CG 3.14Å; H55-L59 PolarHBondContact O-N 2.93Å; V56-L59 PolarHBondContact O-N 2.74Å; Q57-L59 PolarHBondContact O-N 3.3Å; L59-Q63 VanDerWaalsContact O-CB 3.28Å; L59-Q63 WeakPolarHBondContact O-CB 3.28Å; L59-Q63 PolarHBondContact O-N 3.15Å
60N97.2Very high93.1Very high47 Ų4781 Ų8125%0.25142%0.416SS..Hα-helixtrans-69.3-37177.2-74.1-27.7000111.9F18 V56 Q63 G64F18-N60 WeakPolarHBondContact CB-OD1 3.48Å; F18-N60 PolarHBondContact N-OD1 2.86Å; F18-N60 PolarHBondContact O-ND2 3.43Å; V56-N60 WeakPolarHBondContact O-CB 3.4Å; V56-N60 PolarHBondContact O-N 3.04Å; V56-N60 PolarHBondContact O-ND2 2.97Å; N60-Q63 PolarHBondContact O-N 3.46Å; N60-G64 PolarHBondContact O-N 2.86Å
61L96.3Very high92.2Very high110 Ų11084.9 Ų84.958%0.57643%0.432SS*.Hα-helixtrans-62.5-50.4174.6178.562.2000111.6Q57 K58 Q63 G64 Q65Q57-L61 WeakPolarHBondContact O-CB 3.39Å; Q57-L61 PolarHBondContact O-N 2.88Å; K58-L61 PolarHBondContact O-N 3.26Å; L61-Q63 VanDerWaalsContact C-N 3.32Å; L61-Q63 PolarHBondContact O-N 3.41Å; L61-G64 PolarHBondContact O-N 3.02Å; L61-G64 VanDerWaalsContact O-N 3.17Å; L61-Q65 WeakPolarHBondContact O-CG 3.39Å; L61-Q65 PolarHBondContact O-N 2.8Å
62L95.2Very high90.9Very high80 Ų8088.5 Ų88.542%0.41944%0.439SS..Hα-helixtrans-61.7-39.2176.7-70.5173.3000111.9K58 G64 Q65 V66K58-L62 HydrophobicContact CG-CD1 3.93Å; K58-L62 HydrophobicContact CG-CG 4.42Å; K58-L62 WeakPolarHBondContact O-CB 3.31Å; K58-L62 WeakPolarHBondContact O-CG 3.42Å; K58-L62 PolarHBondContact O-N 3.1Å; L62-G64 VanDerWaalsContact C-N 3.34Å; L62-Q65 PolarHBondContact O-N 2.91Å; L62-V66 WeakPolarHBondContact O-CG2 3.45Å; L62-V66 PolarHBondContact O-N 2.82Å
63Q94.5Very high89.4Confident47 Ų4791.6 Ų91.622%0.2246%0.461CS..Hα-helixtrans-66.5-35.7176-176.7175.8-16.800112.3R16 F18 L59 N60 L61 S67R16-Q63 VanDerWaalsContact CB-NE2 3.29Å; R16-Q63 PolarHBondContact O-NE2 3.01Å; R16-Q63 PolarHBondContact O-OE1 3.05Å; R16-Q63 VanDerWaalsContact O-OE1 3.07Å; F18-Q63 HydrophobicContact CE2-CB 4.48Å; L59-Q63 VanDerWaalsContact O-CB 3.28Å; L59-Q63 WeakPolarHBondContact O-CB 3.28Å; L59-Q63 PolarHBondContact O-N 3.15Å; N60-Q63 PolarHBondContact O-N 3.46Å; L61-Q63 VanDerWaalsContact C-N 3.32Å; L61-Q63 PolarHBondContact O-N 3.41Å; Q63-S67 WeakPolarHBondContact O-CB 3.3Å; Q63-S67 PolarHBondContact O-N 3.44Å
64G91.8Very high87.9Confident38 Ų3888.9 Ų88.939%0.39246%0.461SS..Hα-helixtrans-60.9-52.5172.300000111.4N60 L61 L62 V66 S67 E68N60-G64 PolarHBondContact O-N 2.86Å; L61-G64 PolarHBondContact O-N 3.02Å; L61-G64 VanDerWaalsContact O-N 3.17Å; L62-G64 VanDerWaalsContact C-N 3.34Å; G64-V66 PolarHBondContact O-N 2.85Å; G64-S67 WeakPolarHBondContact O-CB 3.34Å; G64-S67 PolarHBondContact O-N 3.46Å; G64-S67 VanDerWaalsContact O-N 3.08Å; G64-E68 PolarHBondContact O-N 2.87Å
65Q92Very high86Confident90 Ų9085.5 Ų85.542%0.42146%0.455SS..Hα-helixtrans-56.9-46.7178.3-69.6170.9-12.700112.6L61 L62 S67 E68 L69L61-Q65 WeakPolarHBondContact O-CG 3.39Å; L61-Q65 PolarHBondContact O-N 2.8Å; L62-Q65 PolarHBondContact O-N 2.91Å; Q65-S67 VanDerWaalsContact C-N 3.3Å; Q65-S67 PolarHBondContact O-N 3.4Å; Q65-E68 PolarHBondContact O-N 3.49Å; Q65-L69 WeakPolarHBondContact O-CB 3.29Å; Q65-L69 VanDerWaalsContact O-CG 3.28Å; Q65-L69 WeakPolarHBondContact O-CG 3.38Å; Q65-L69 PolarHBondContact O-N 3.4Å
66V86.4Confident84Confident100 Ų10091.5 Ų91.561%0.60648%0.475SS*.Hα-helixtrans-64.1-36.2177172.40000111.6L62 G64 S70L62-V66 WeakPolarHBondContact O-CG2 3.45Å; L62-V66 PolarHBondContact O-N 2.82Å; G64-V66 PolarHBondContact O-N 2.85Å; V66-S70 VanDerWaalsContact O-CB 3.23Å; V66-S70 WeakPolarHBondContact O-CB 3.48Å; V66-S70 PolarHBondContact O-N 3.18Å; V66-S70 VanDerWaalsContact O-N 3.07Å
67S88.4Confident82Confident71 Ų7193.5 Ų93.550%0.49749%0.494SS..Hα-helixtrans-69.5-35.7176-163.60000112.6Q63 G64 Q65 L71Q63-S67 WeakPolarHBondContact O-CB 3.3Å; Q63-S67 PolarHBondContact O-N 3.44Å; G64-S67 WeakPolarHBondContact O-CB 3.34Å; G64-S67 PolarHBondContact O-N 3.46Å; G64-S67 VanDerWaalsContact O-N 3.08Å; Q65-S67 VanDerWaalsContact C-N 3.3Å; Q65-S67 PolarHBondContact O-N 3.4Å; S67-L71 WeakPolarHBondContact O-CG 3.42Å; S67-L71 PolarHBondContact O-N 3.39Å
68E84.6Confident79.9Confident120 Ų12090.9 Ų90.956%0.56150%0.495SS*.Hα-helixtrans-71.8-47.8177.7-173.8-179.6169.100111.3G64 Q65 S70 L71 R72G64-E68 PolarHBondContact O-N 2.87Å; Q65-E68 PolarHBondContact O-N 3.49Å; E68-S70 VanDerWaalsContact C-N 3.27Å; E68-S70 PolarHBondContact O-N 2.85Å; E68-L71 WeakPolarHBondContact O-CB 3.41Å; E68-L71 PolarHBondContact O-N 2.88Å; E68-R72 PolarHBondContact O-N 3.16Å
69L79.5Confident77.6Confident122 Ų12288.5 Ų88.564%0.63950%0.496SS*.Hα-helixtrans-58.8-40175.8-69170.1000111.6Q65 L71 R72 S73Q65-L69 WeakPolarHBondContact O-CB 3.29Å; Q65-L69 VanDerWaalsContact O-CG 3.28Å; Q65-L69 WeakPolarHBondContact O-CG 3.38Å; Q65-L69 PolarHBondContact O-N 3.4Å; L69-L71 VanDerWaalsContact C-N 3.27Å; L69-L71 PolarHBondContact O-N 2.99Å; L69-R72 PolarHBondContact O-N 3.41Å; L69-S73 PolarHBondContact O-N 2.84Å; L69-S73 PolarHBondContact O-OG 3.44Å
70S78.1Confident75.4Confident72 Ų7293.6 Ų93.650%0.50352%0.519SS..Hα-helixtrans-67.9-20.9175.9-174.90000114.2V66 E68 S73 V74V66-S70 VanDerWaalsContact O-CB 3.23Å; V66-S70 WeakPolarHBondContact O-CB 3.48Å; V66-S70 PolarHBondContact O-N 3.18Å; V66-S70 VanDerWaalsContact O-N 3.07Å; E68-S70 VanDerWaalsContact C-N 3.27Å; E68-S70 PolarHBondContact O-N 2.85Å; S70-S73 PolarHBondContact O-OG 2.9Å; S70-V74 WeakPolarHBondContact O-CG2 3.4Å
71L75.6Confident73Confident110 Ų110100.3 Ų100.358%0.57655%0.549SS*.Hα-helixtrans-82.2-46.9170.6-70.6166000109.7S67 E68 L69 S73 V74 D75S67-L71 WeakPolarHBondContact O-CG 3.42Å; S67-L71 PolarHBondContact O-N 3.39Å; E68-L71 WeakPolarHBondContact O-CB 3.41Å; E68-L71 PolarHBondContact O-N 2.88Å; L69-L71 VanDerWaalsContact C-N 3.27Å; L69-L71 PolarHBondContact O-N 2.99Å; L71-S73 VanDerWaalsContact C-N 3.26Å; L71-S73 PolarHBondContact O-N 3.49Å; L71-V74 WeakPolarHBondContact O-CB 3.48Å; L71-V74 PolarHBondContact O-N 3.5Å; L71-D75 PolarHBondContact O-N 2.91Å
72R68.8Low70.8Confident156 Ų156103.6 Ų103.659%0.58956%0.561SS**Hα-helixtrans-62.9-26.9179.7-65.5-49.7-166-177.36.6114.5E68 L69 D75 R76E68-R72 PolarHBondContact O-N 3.16Å; L69-R72 PolarHBondContact O-N 3.41Å; R72-D75 WeakPolarHBondContact CD-OD2 3.48Å; R72-D75 IonicContact CZ-OD2 3.46Å; R72-D75 IonicContact NH1-OD2 3.83Å; R72-D75 PolarHBondContact NH1-OD2 3.35Å; R72-R76 WeakPolarHBondContact O-CB 3.33Å; R72-R76 PolarHBondContact O-N 3.5Å
73S66.1Low68.3Low69 Ų69108.4 Ų108.448%0.48358%0.581SS.*Hα-helixtrans-70.8-32.1171.155.90000113.1L69 S70 L71 A77L69-S73 PolarHBondContact O-N 2.84Å; L69-S73 PolarHBondContact O-OG 3.44Å; S70-S73 PolarHBondContact O-OG 2.9Å; L71-S73 VanDerWaalsContact C-N 3.26Å; L71-S73 PolarHBondContact O-N 3.49Å; S73-A77 PolarHBondContact O-N 3.44Å
74V64.7Low65.8Low97 Ų97111.1 Ų111.159%0.58861%0.612SS**Hα-helixtrans-76.1-45.5177.1175.40000110.4S70 L71 R76 A77 A78S70-V74 WeakPolarHBondContact O-CG2 3.4Å; L71-V74 WeakPolarHBondContact O-CB 3.48Å; L71-V74 PolarHBondContact O-N 3.5Å; V74-R76 PolarHBondContact O-N 2.97Å; V74-A77 PolarHBondContact O-N 2.95Å; V74-A78 PolarHBondContact O-N 3.45Å
75D58.8Low63.2Low84 Ų84112.8 Ų112.845%0.44963%0.629SS.*Hα-helixtrans-51.7-41.1174.2-67.8-13.4000111.7L71 R72L71-D75 PolarHBondContact O-N 2.91Å; R72-D75 WeakPolarHBondContact CD-OD2 3.48Å; R72-D75 IonicContact CZ-OD2 3.46Å; R72-D75 IonicContact NH1-OD2 3.83Å; R72-D75 PolarHBondContact NH1-OD2 3.35Å
76R54.3Low61.7Low180 Ų180114.1 Ų114.168%0.67965%0.646SS**Hα-helixtrans-75.1-45.9-174.9-157.8179.1-151.889.41.7112.8R72 V74 A78 S79R72-R76 WeakPolarHBondContact O-CB 3.33Å; R72-R76 PolarHBondContact O-N 3.5Å; V74-R76 PolarHBondContact O-N 2.97Å; R76-A78 PolarHBondContact O-N 3.17Å; R76-S79 WeakPolarHBondContact O-CB 3.47Å; R76-S79 PolarHBondContact O-N 2.93Å
77A56.3Low59.2Low62 Ų62119 Ų11951%0.51266%0.662SS.*Hα-helixtrans-62-33.8178.800000112.3S73 V74 S79 E80S73-A77 PolarHBondContact O-N 3.44Å; V74-A77 PolarHBondContact O-N 2.95Å; A77-S79 PolarHBondContact O-N 3.25Å; A77-E80 PolarHBondContact O-N 3.02Å
78A54.6Low57.1Low79 Ų79124.6 Ų124.665%0.65368%0.68SS**THydrogen-bonded Turntrans-67.6-14.8175.600000114.2V74 R76V74-A78 PolarHBondContact O-N 3.45Å; R76-A78 PolarHBondContact O-N 3.17Å
79S49.6Very low54.6Low88 Ų88123.8 Ų123.862%0.61569%0.693SS**THydrogen-bonded Turntrans-95.6-6.8-179-170.60000113.9R76 A77R76-S79 WeakPolarHBondContact O-CB 3.47Å; R76-S79 PolarHBondContact O-N 2.93Å; A77-S79 PolarHBondContact O-N 3.25Å
80E50.7Low52.8Low143 Ų143126.8 Ų126.867%0.66870%0.704SS**SBendtrans-99.6-10.2-172.4-68.9174.6167.600113.1A77A77-E80 PolarHBondContact O-N 3.02Å
81E47.7Very low50.6Low189 Ų189130 Ų13088%0.88372%0.716SS**SBendtrans-83.8-10.8170.9-86-166.711400114.4H83E81-H83 PolarHBondContact O-N 3.35Å
82E48.4Very low49Very low179 Ų179136.1 Ų136.184%0.83673%0.731SS**SBendtrans-94.538.9-177.9-153-165.9109.200113.8
83H44.3Very low47.6Very low180 Ų180133.4 Ų133.483%0.83374%0.736SS**  trans-137.557.9178.1-152.666.8000115.3E81E81-H83 PolarHBondContact O-N 3.35Å
84A41.6Very low46.2Very low104 Ų104137.9 Ų137.986%0.8675%0.75SS**SBendtrans-138.851.2179.200000115
85G37.4Very low45Very low73 Ų73141.9 Ų141.975%0.75376%0.762SS**  trans105.8165.315800000117.5
86P59.6Low43.8Very low119 Ų119142 Ų14277%0.77377%0.774SS**  trans-131.7156.8-149.239.9-23.9000116.7
87Q35.1Very low42.8Very low202 Ų202138.6 Ų138.694%0.94477%0.769SS**  trans-160.8156139-117.6158.367.800113
88Q43Very low42.1Very low189 Ų189140.8 Ų140.888%0.88378%0.781SS**  trans-88.9148.9-176.8-66-170.21.800113
89A32Very low41.4Very low102 Ų102143.1 Ų143.184%0.84378%0.778SS**  trans-145.1142.414600000108.5
90E41.3Very low40.9Very low185 Ų185144.5 Ų144.586%0.86479%0.785SS**  trans-83.7169.3-173.5-68.2-177.684.300114.2
91N32.8Very low40.7Very low141 Ų141145.5 Ų145.575%0.75479%0.794SS**  trans83.781.1147.6-146.65000118.6
92R41.8Very low40.6Very low238 Ų238143.6 Ų143.690%0.89879%0.785SS**  54.282.2122.9-166.4-170.3-176167.21.3117
93S39.3Very low41.7Very low98 Ų98137.9 Ų137.969%0.68577%0.765SS**  trans-129.1115142.7-169.50000110
94Q37.9Very low43Very low164 Ų164140.2 Ų140.277%0.76677%0.766SS**  trans44.2102.5159.9-68.2159.9100.400116.7A96Q94-A96 PolarHBondContact O-N 2.69Å
95Q39.5Very low44.2Very low181 Ų181144.4 Ų144.485%0.84676%0.76SS**  trans-61.469.4148.9-175.9-174.2-20.900109.5L97Q95-L97 HydrophobicContact CG-CB 4.34Å; Q95-L97 PolarHBondContact O-N 2.77Å
96A31.9Very low46Very low86 Ų86145.3 Ų145.371%0.71175%0.747SS**  trans-74.965.9159.800000107.4Q94 S98Q94-A96 PolarHBondContact O-N 2.69Å; A96-S98 PolarHBondContact O-N 3.09Å; A96-S98 VanDerWaalsContact O-N 3.1Å
97L35Very low46.7Very low109 Ų109148.2 Ų148.257%0.57175%0.748SS**  trans-49.1119.4166.4176.567.1000106.5Q95 E99Q95-L97 HydrophobicContact CG-CB 4.34Å; Q95-L97 PolarHBondContact O-N 2.77Å; L97-E99 WeakPolarHBondContact CD2-OE1 3.37Å; L97-E99 PolarHBondContact O-N 2.92Å
98S39.8Very low48.2Very low108 Ų108147.2 Ų147.276%0.75574%0.737SS**  trans-74.274.9176.959.30000108.8A96 P100A96-S98 PolarHBondContact O-N 3.09Å; A96-S98 VanDerWaalsContact O-N 3.1Å; S98-P100 WeakPolarHBondContact O-CD 3.18Å; S98-P100 VanDerWaalsContact O-N 3.17Å
99E40.1Very low48.9Very low128 Ų128146 Ų14660%0.59873%0.733SS**  trans-40.3118.2173.6-85.5-69.399.400109.3L97 L101L97-E99 WeakPolarHBondContact CD2-OE1 3.37Å; L97-E99 PolarHBondContact O-N 2.92Å; E99-L101 PolarHBondContact O-N 2.86Å
100P38.9Very low50.1Low117 Ų117148.2 Ų148.276%0.7673%0.731SS**  trans-66.878.4-174-25.836.8000113.5S98 E102S98-P100 WeakPolarHBondContact O-CD 3.18Å; S98-P100 VanDerWaalsContact O-N 3.17Å; P100-E102 PolarHBondContact O-N 2.88Å
101L47.3Very low50.8Low163 Ų163148.8 Ų148.885%0.85373%0.73SS**  trans23.182.6176.7-174.368.9000113.2E99 S103E99-L101 PolarHBondContact O-N 2.86Å; L101-S103 PolarHBondContact O-N 3.22Å
102E45.2Very low51.7Low150 Ų150145.8 Ų145.870%0.70173%0.733SS**  trans-34108.2-175.2-73.9-169.994.400112.6P100 R104P100-E102 PolarHBondContact O-N 2.88Å; E102-R104 PolarHBondContact O-N 2.92Å
103S72.3Confident52Low59 Ų59140.1 Ų140.141%0.41373%0.728SS.*  trans-64.4135.7-178.295.80000108.9L101 W105 L106L101-S103 PolarHBondContact O-N 3.22Å; S103-W105 PolarHBondContact O-N 3.24Å; S103-L106 PolarHBondContact O-N 3.31Å; S103-L106 VanDerWaalsContact OG-CD1 3.27Å; S103-L106 WeakPolarHBondContact OG-CD1 3.42Å
104R72.2Confident52.6Low229 Ų229144.5 Ų144.586%0.86474%0.738SS**THydrogen-bonded Turntrans-53.2-7-179.8-85.6179.3160.9177.8-5.6115.4E102E102-R104 PolarHBondContact O-N 2.92Å
105W66.3Low52.7Low192 Ų192144.1 Ų144.173%0.72774%0.741SS**THydrogen-bonded Turntrans-92-22.8180-56.3105.5000114.4S103 K107 Y108S103-W105 PolarHBondContact O-N 3.24Å; W105-K107 PolarHBondContact O-N 3.23Å; W105-Y108 PolarHBondContact O-N 2.97Å
106L75.1Confident52.9Low92 Ų92145 Ų14548%0.48275%0.745SS.*G310 helixtrans-55.9-40.2-179.1-91.671.2000111.8S103 Y108 M109 D110S103-L106 PolarHBondContact O-N 3.31Å; S103-L106 VanDerWaalsContact OG-CD1 3.27Å; S103-L106 WeakPolarHBondContact OG-CD1 3.42Å; L106-Y108 PolarHBondContact O-N 3.29Å; L106-M109 PolarHBondContact O-N 3.37Å; L106-D110 PolarHBondContact O-N 2.84Å
107K73.9Confident53.5Low180 Ų180149 Ų14978%0.78375%0.749SS**G310 helixtrans-54.1-14.7175.2-176.3164-176.6165.60115.2W105W105-K107 PolarHBondContact O-N 3.23Å
108Y67.6Low53.8Low181 Ų181151.5 Ų151.571%0.7176%0.762SS**G310 helixtrans-108.6-4.1178.8-63.6-81.7000114.2W105 L106W105-Y108 PolarHBondContact O-N 2.97Å; L106-Y108 PolarHBondContact O-N 3.29Å
109M56.2Low54.1Low163 Ų163152.4 Ų152.480%0.80376%0.758SS**THydrogen-bonded Turntrans-101.5-36.2179.5-63.5-170.166.700112.5L106 K111L106-M109 PolarHBondContact O-N 3.37Å; M109-K111 VanDerWaalsContact C-N 3.27Å; M109-K111 PolarHBondContact O-N 3.27Å
110D58.2Low53.9Low149 Ų149157.1 Ų157.180%0.79777%0.771SS**SBendtrans-85.754.6-172.6-166.129.9000113.2L106L106-D110 PolarHBondContact O-N 2.84Å
111K55.8Low53.7Low196 Ų196154.4 Ų154.485%0.85276%0.764SS**  trans-152.266.3-178.2-124.6176.1-161.9-49.60116.6M109M109-K111 VanDerWaalsContact C-N 3.27Å; M109-K111 PolarHBondContact O-N 3.27Å
112G52Low53.1Low79 Ų79158.5 Ų158.581%0.81477%0.768SS**  trans171.895.4156.200000116.1
113C48.2Very low52.5Low118 Ų118155.7 Ų155.780%0.79777%0.77SS**  trans-164.424.8150.3-156.30000114.8
114E50.5Low50.8Low190 Ų190157.5 Ų157.589%0.88879%0.789SS**  trans-132.177.5-170.7-61.8-73.7133.200111.6
115D39.9Very low49.4Very low157 Ų157152.7 Ų152.784%0.8479%0.787SS**  trans-179.798.2142.8-145.7-14.3000111
116Q44.6Very low48.2Very low198 Ų198153.3 Ų153.393%0.92580%0.795SS**  trans-166.653.5162.7-122.5-165.4138.600114.7
117E43.7Very low46.1Very low171 Ų171155.1 Ų155.180%0.79981%0.81SS**  trans-149.3119.3160.2-143-173.412500113
118L43.1Very low44.4Very low162 Ų162154.8 Ų154.885%0.84881%0.811SS**  175.3133.8124.2-93173.5000111.7
119D45Very low43Very low126 Ų126151.5 Ų151.567%0.67481%0.812SS**  trans-90.5138.7178.616463.3000113.9
120R36.7Very low41.8Very low228 Ų228149 Ų14986%0.8681%0.81SS**  trans-160.2122.4138.2-148.9135.6-63.3-135.9-0.4113
121G34.1Very low40.7Very low59 Ų59146.6 Ų146.661%0.60881%0.811SS**  trans-104-163.617800000116.7
122R33.9Very low39.6Very low250 Ų250142.9 Ų142.994%0.94381%0.81SS**  trans81.3133.1178.8-163.2-178.5-65.2-85.2-1.4114.4
123A32.6Very low38.7Very low91 Ų91142.8 Ų142.875%0.75280%0.801SS**  cis-149.7166.8-6.300000111.3
124A37.5Very low37.9Very low96 Ų96145.9 Ų145.979%0.79380%0.804SS**  trans-87.6162.7172.500000113
125P43.1Very low36.9Very low128 Ų128148.4 Ų148.483%0.83181%0.806SS**  -122.2165.4128.936.5-31.8000113
126K41.1Very low37Very low205 Ų205146.9 Ų146.989%0.89181%0.805SS**  trans-80.3142.2-175.9-63.1172.3178.4174.70112.1
127T30.9Very low36.5Very low130 Ų130140.9 Ų140.980%0.79880%0.796SS**  -154.6135128.6-740000108.4
128Q38.3Very low36Very low173 Ų173140.8 Ų140.881%0.80880%0.8SS**  trans-144.5126.5175.3-87.7-71.7-18.700105.2
129P38.2Very low35.9Very low113 Ų113139.1 Ų139.173%0.73480%0.799SS**  -146143.8107.836.4-21.6000115.5
130S30.9Very low35.4Very low109 Ų109139.3 Ų139.376%0.76281%0.808SS**SBendtrans72.2142151.5-155.70000119.3
131A33.9Very low35.6Very low99 Ų99133.2 Ų133.282%0.81880%0.801SS**  trans60.6131.9176.500000116.6A133A131-A133 PolarHBondContact O-N 3.03Å
132S33.5Very low36Very low119 Ų119136.1 Ų136.183%0.83281%0.809SS**  trans-81.5113.6-178.353.70000112.3
133A32.9Very low36.1Very low76 Ų76128.4 Ų128.463%0.62880%0.798SS**  trans-58141.5143.600000108.1A131A131-A133 PolarHBondContact O-N 3.03Å
134E31.1Very low36.7Very low183 Ų183134.6 Ų134.686%0.85580%0.802SS**  cis62.681.248.6-153.5174.9145.200111.2P136E134-P136 WeakPolarHBondContact O-CD 3.35Å
135W29.8Very low36.9Very low243 Ų243136.1 Ų136.192%0.9280%0.802SS**PPolyproline II helixtrans-82.3120.9171.5-77.188.1000109.8
136P41.5Very low37Very low126 Ų126141.4 Ų141.482%0.81881%0.806SS**PPolyproline II helixtrans-60.7137.4170.4-22.534.7000110.8E134E134-P136 WeakPolarHBondContact O-CD 3.35Å
137G35.3Very low37.1Very low71 Ų71141.1 Ų141.173%0.73280%0.804SS**PPolyproline II helixtrans-85.8164.5-170.600000115.3
138L33.1Very low38.3Very low169 Ų169146.8 Ų146.889%0.88581%0.811SS**  trans-113.8152.6152.4-78.7175.3000109.3C140L138-C140 PolarHBondContact O-N 3.17Å
139P41.1Very low38.8Very low127 Ų127147.2 Ų147.283%0.82581%0.81SS**PPolyproline II helixtrans-81.3118.4-150.228.6-35.6000114.1
140C33.1Very low38.5Very low130 Ų130152.8 Ų152.888%0.87882%0.817SS**PPolyproline II helixtrans-90131.3168.1-159.30000110.7L138L138-C140 PolarHBondContact O-N 3.17Å
141S41.7Very low38.9Very low101 Ų101153 Ų15371%0.70681%0.81SS**PPolyproline II helixtrans-85142.8-16657.80000114.2A143S141-A143 PolarHBondContact O-N 3.47Å
142P42.7Very low39.5Very low119 Ų119156.9 Ų156.977%0.77381%0.811SS**  trans-85.568.6-167.634.2-37.7000114.6R144P142-R144 VanDerWaalsContact C-N 3.29Å; P142-R144 PolarHBondContact O-N 3.01Å
143A36.6Very low39.6Very low88 Ų88156.7 Ų156.773%0.72781%0.81SS**  trans-77.665174.800000113.5S141 T145S141-A143 PolarHBondContact O-N 3.47Å; A143-T145 PolarHBondContact O-N 3.43Å
144R44.2Very low39.9Very low221 Ų221160.6 Ų160.683%0.83483%0.826SS**  trans-69.3108.2-176.5-68.7-177.468.7-159.65113.4P142 R146P142-R144 VanDerWaalsContact C-N 3.29Å; P142-R144 PolarHBondContact O-N 3.01Å; R144-R146 PolarHBondContact O-N 3.24Å; R144-R146 VanDerWaalsContact O-N 3.17Å
145T41.9Very low40.1Very low129 Ų129155.4 Ų155.479%0.79182%0.821SS**  trans-72.3102.8172.847.80000112.3A143 K147A143-T145 PolarHBondContact O-N 3.43Å; T145-K147 PolarHBondContact O-N 3.07Å
146R45.7Very low40.4Very low239 Ų239152.7 Ų152.790%0.90282%0.819SS**  trans-71.692.8173.4-78.4-173.1175.8179.4-0.3111.4R144 R148R144-R146 PolarHBondContact O-N 3.24Å; R144-R146 VanDerWaalsContact O-N 3.17Å; R146-R148 PolarHBondContact O-N 3.02Å
147K41.9Very low40.3Very low199 Ų199151.3 Ų151.387%0.86581%0.81SS**PPolyproline II helixtrans-59.5128161.2-70-173.3177.5-179.20109.2T145T145-K147 PolarHBondContact O-N 3.07Å
148R57.6Low40.3Very low248 Ų248154 Ų15494%0.93681%0.814SS**PPolyproline II helixtrans-75.5130.8171.3-80.7-168.8-89.2-174.9-6.6109.6R146R146-R148 PolarHBondContact O-N 3.02Å
149K47.6Very low40.3Very low182 Ų182157.7 Ų157.779%0.79182%0.816SS**PPolyproline II helixtrans-84.6128.5178.3-171.6174.9178.51790109.8
150W31.4Very low39.9Very low230 Ų230157.3 Ų157.387%0.87182%0.817SS**PPolyproline II helixtrans-73.8120.1168.9173.7-84.8000108.9
151N40.6Very low40Very low115 Ų115159.5 Ų159.562%0.61582%0.819SS**  trans-113.7135.3173.8-69.5-19.7000108.7
152Q45.2Very low39.5Very low179 Ų179161.7 Ų161.784%0.83682%0.818SS**  trans-81.2141.7170.8-60.3-179.97100108.8
153S36.2Very low39.1Very low116 Ų116163.8 Ų163.881%0.81182%0.821SS**  trans-152.1109.6175.4-64.90000110.7
154T40.3Very low39.1Very low157 Ų157166.5 Ų166.596%0.96382%0.818SS**  trans-90.2126.8167.1-57.20000108
155G34.7Very low38.3Very low74 Ų74163.8 Ų163.876%0.76382%0.82SS**  trans-178.6141.4178.900000112.7
156Q36.2Very low38.2Very low186 Ų186164.8 Ų164.887%0.86982%0.82SS**PPolyproline II helixtrans-81.4160.9179.5-73.9-75.915.500112.1
157P39Very low37.4Very low97 Ų97161.1 Ų161.163%0.6382%0.819SS**PPolyproline II helixtrans-87.2148.2-176.334.6-34.5000113.4
158P35.9Very low37.1Very low127 Ų127157 Ų15783%0.82582%0.815SS**PPolyproline II helixtrans-75.9151.1165.632.8-33.7000111.4
159R32.2Very low36.1Very low247 Ų247152.1 Ų152.193%0.93281%0.812SS**  trans-94.5179.5173.6-76.1-175.9173.3174-2.3112
160S34.4Very low35.6Very low119 Ų119152 Ų15283%0.83282%0.815SS**PPolyproline II helixtrans-65.5161-164.5450000116.4
161L33.5Very low35.5Very low176 Ų176147.7 Ų147.792%0.92181%0.808SS**PPolyproline II helixtrans-67.6156.6174.3-72167.5000113.1
162H32.6Very low35Very low148 Ų148148.3 Ų148.369%0.68581%0.812SS**PPolyproline II helixtrans-87.6128.7180159.397.7000111.8
163I33Very low34.3Very low163 Ų163148.5 Ų148.584%0.83681%0.81SS**  trans-130.2147.8151.7-68-174.5000106.4
164Q37.3Very low33.9Very low145 Ų145150.4 Ų150.468%0.67881%0.806SS**  trans-80.9144.7-174-63.715063.300111.4
165D28Very low33.6Very low163 Ų163148.7 Ų148.787%0.87280%0.799SS**  trans-143.5147147.9-131.6-30.9000108.1
166L38.6Very low33.4Very low150 Ų150153 Ų15379%0.78580%0.8SS**  trans-105121.7172.8-87.576.3000108.2
167D30.2Very low33.1Very low163 Ų163151.6 Ų151.687%0.87280%0.798SS**  -157.9160.2109-132.9-38.5000111.6
168S35.3Very low33.1Very low112 Ų112151.9 Ų151.978%0.78380%0.802SS**  trans-102.7131-177.8-71.60000111.9
169V36.9Very low32.9Very low146 Ų146152.8 Ų152.889%0.88581%0.806SS**  trans-150.4143.7144.2101.90000111.1
170E35.5Very low32.8Very low180 Ų180144.7 Ų144.784%0.84180%0.799SS**  trans-76.3168.8178.5-63171.1122.100109
171D29.6Very low33Very low139 Ų139147.1 Ų147.174%0.74380%0.802SS**  cis-168.1151.643.8-176.2-137.6000113
172N30.6Very low33.1Very low127 Ų127147 Ų14768%0.67980%0.801SS**  trans51.3162.7154.7-131.6-16.8000124.6
173F31.1Very low33.1Very low183 Ų183143.3 Ų143.380%0.80380%0.803SS**  trans-76.5170166.3-59.1-101.2000109
174E26.9Very low33.3Very low156 Ų156142.7 Ų142.773%0.72981%0.807SS**  cis-164.9162.548.3-174.4164.996.500112.3Q176E174-Q176 PolarHBondContact OE1-NE2 3.34Å
175C34.4Very low33.1Very low122 Ų122144.4 Ų144.482%0.82482%0.815SS**  trans-114.2119.2172.9178.20000109.5
176Q30.8Very low33.4Very low164 Ų164148 Ų14877%0.76682%0.816SS**  trans-142.2147.2167.1-91.9-173.386.100113.3E174E174-Q176 PolarHBondContact OE1-NE2 3.34Å
177D29.8Very low33.2Very low157 Ų157149.4 Ų149.484%0.8482%0.819SS**  trans-64.2176.1-168.6-81.6-61.3000118.2
178S38Very low33.1Very low103 Ų103148 Ų14872%0.7282%0.816SS**  trans97106.8146-63.90000120.6
179T33.1Very low32.8Very low145 Ų145145.9 Ų145.989%0.8981%0.812SS**  56.6104.1117.9-47.90000119.3
180G29.9Very low32.7Very low77 Ų77144.6 Ų144.679%0.79481%0.809SS**  trans-152.4140.2162.200000111.8
181L38.5Very low32.4Very low170 Ų170142 Ų14289%0.8981%0.811SS**  trans-103.1177.6176.7-82.9169.1000111.4
182L34.5Very low32.6Very low173 Ų173139.9 Ų139.991%0.90681%0.813SS**  trans78.5128.4-176.5-47.3172.5000113.2
183G33.5Very low33Very low71 Ų71142.7 Ų142.773%0.73283%0.827SS**  cis105.268.4-4.200000114.5
184T36.3Very low32.9Very low150 Ų150137.7 Ų137.792%0.9283%0.827SS**  trans-142.5137.8162.726.70000111
185E34.1Very low33.1Very low181 Ų181135 Ų13585%0.84683%0.832SS**  trans-109.4127.8179.8173.3-167103.100109.4
186R33.4Very low33.1Very low238 Ų238134 Ų13490%0.89883%0.832SS**  trans-171.898151.7-108.4156.5-174.5-89.2-2.9115.4
187Q33.9Very low33.5Very low180 Ų180132.6 Ų132.684%0.84184%0.835SS**  trans3.6133.9131.4-164.4-174.383.600119.4
188V29.1Very low33.8Very low134 Ų134133.3 Ų133.381%0.81283%0.833SS**  trans149.7139.2133.5164.30000112.2
189G29.8Very low33.7Very low67 Ų67135.8 Ų135.869%0.69184%0.837SS**  trans88.493164.100000115.4
190S33.1Very low33.9Very low119 Ų119139.2 Ų139.283%0.83283%0.833SS**  6699.266.7-171.10000115.7
191S30.6Very low34Very low125 Ų125144.6 Ų144.687%0.87484%0.837SS**  -170.4158.9116.5-78.70000110.8
192A33.8Very low34Very low95 Ų95142.4 Ų142.479%0.78583%0.826SS**  trans-102.5153.8-175.300000112.7
193L38.3Very low34Very low187 Ų187137.7 Ų137.798%0.97982%0.819SS**  -163.1149.8128.8-100.6164.5000108
194G28.2Very low34.1Very low78 Ų78142.8 Ų142.880%0.80482%0.822SS**  trans-117.3160.6-160.600000115.8
195A32.4Very low34.2Very low100 Ų100139.7 Ų139.783%0.82680%0.804SS**  trans-135.3121.6160.600000108.5
196A34.1Very low34.3Very low101 Ų101141.5 Ų141.584%0.83580%0.803SS**  trans-95.6114-172.500000112.1
197T39.4Very low34.2Very low134 Ų134140.9 Ų140.982%0.82280%0.801SS**  trans-106.6112165.746.50000109.8I199T197-I199 PolarHBondContact O-N 3.12Å
198H35.3Very low34.4Very low172 Ų172140.9 Ų140.980%0.79680%0.798SS**  trans-86.2102.6-173.654.3-84.4000110.8
199I37Very low34.8Very low155 Ų155142 Ų14280%0.79580%0.799SS**  trans-96.7103.6164.7-59-176.6000107.6T197 E201T197-I199 PolarHBondContact O-N 3.12Å; I199-E201 PolarHBondContact O-N 3.28Å
200R36.3Very low35.2Very low217 Ų217144.7 Ų144.782%0.81980%0.804SS**  trans-64.1105.9171.1-91.8-176.6165.6-128.11.8109.1L202R200-L202 PolarHBondContact O-N 3.43Å
201E32.3Very low35.2Very low189 Ų189144.5 Ų144.588%0.88380%0.803SS**  trans-61.8105.3159.4-73.4-153118.900109.2I199 G203I199-E201 PolarHBondContact O-N 3.28Å; E201-G203 VanDerWaalsContact C-N 3.29Å; E201-G203 PolarHBondContact O-N 3.32Å
202L38.9Very low36Very low124 Ų124144.5 Ų144.565%0.64980%0.8SS**  trans-75.189.3164.5-68.8178.5000107.8R200 F204R200-L202 PolarHBondContact O-N 3.43Å; L202-F204 HydrophobicContact CB-CE2 4.28Å; L202-F204 WeakPolarHBondContact O-CD2 3.27Å; L202-F204 PolarHBondContact O-N 2.97Å
203G33.3Very low35.9Very low74 Ų74146.2 Ų146.276%0.76380%0.8SS**  trans-61.291.5177.600000112.1E201E201-G203 VanDerWaalsContact C-N 3.29Å; E201-G203 PolarHBondContact O-N 3.32Å
204F36.6Very low35.9Very low179 Ų179145 Ų14579%0.78579%0.794SS**  trans-65.6135.3172-71.6-86.8000109.9L202 R206L202-F204 HydrophobicContact CB-CE2 4.28Å; L202-F204 WeakPolarHBondContact O-CD2 3.27Å; L202-F204 PolarHBondContact O-N 2.97Å; F204-R206 PolarHBondContact O-N 3.25Å
205P38.7Very low36.8Very low84 Ų84150.6 Ų150.655%0.54580%0.799SS.*  trans-60.1127.6-176.621.3-31.9000111.6W207P205-W207 VanDerWaalsContact C-N 3.26Å; P205-W207 HydrophobicContact CG-CZ2 4.33Å; P205-W207 VanDerWaalsContact O-CD1 3.23Å; P205-W207 PolarHBondContact O-N 3.41Å
206R35.4Very low36.8Very low220 Ų220152 Ų15283%0.8380%0.797SS**  trans-74.371.6-175.9-166.3178.797.6-166.311111.7F204 K208F204-R206 PolarHBondContact O-N 3.25Å; R206-K208 PolarHBondContact O-N 3.26Å
207W31.5Very low36.9Very low224 Ų224156.5 Ų156.585%0.84880%0.798SS**  trans-55.5111.9171.6-61.2109.8000109.8P205 L209P205-W207 VanDerWaalsContact C-N 3.26Å; P205-W207 HydrophobicContact CG-CZ2 4.33Å; P205-W207 VanDerWaalsContact O-CD1 3.23Å; P205-W207 PolarHBondContact O-N 3.41Å; W207-L209 PolarHBondContact O-N 3.36Å
208K37.4Very low36.9Very low180 Ų180155.2 Ų155.278%0.78380%0.801SS**PPolyproline II helixtrans-67.9120-178.9-64.2-177.9-177.3178.30109.2R206R206-K208 PolarHBondContact O-N 3.26Å
209L38.8Very low37.1Very low159 Ų159155.6 Ų155.683%0.83280%0.803SS**PPolyproline II helixtrans-66.6131.2164.9-69.7168.9000108.9W207 S211W207-L209 PolarHBondContact O-N 3.36Å; L209-S211 PolarHBondContact O-N 3.18Å
210P38.4Very low37.8Very low122 Ų122153.2 Ų153.279%0.79280%0.8SS**PPolyproline II helixtrans-68.5120.2167.8-18.432.4000110.2
211S33.4Very low39.2Very low116 Ų116146.3 Ų146.381%0.81179%0.785SS**PPolyproline II helixtrans-72.3136.2171-65.40000110.4L209L209-S211 PolarHBondContact O-N 3.18Å
212P45.5Very low40.8Very low124 Ų124145.5 Ų145.581%0.80578%0.779SS**  trans-93106.6-172.933.9-33.3000113.3
213V33.4Very low41.2Very low131 Ų131147.5 Ų147.579%0.79478%0.777SS**  trans-149.7114.5145.4173.60000109.2
214L38.2Very low42.4Very low162 Ų162146.2 Ų146.285%0.84876%0.76SS**  -170.5138.3123.4-101175.1000108.4
215Q46.1Very low43.3Very low195 Ų195146.6 Ų146.691%0.91176%0.756SS**  trans-77.2124.7178.4-71178.3-14.700110.1
216V33.9Very low44Very low130 Ų130149.6 Ų149.679%0.78876%0.761SS**  trans-124.3137.9162.8-178.20000107.5
217K35.3Very low44.7Very low195 Ų195145.4 Ų145.485%0.84875%0.754SS**  trans-52.6139.5-175.6-71.5175.7179.2176.20111Q219K217-Q219 PolarHBondContact O-N 2.7Å
218A39.2Very low45.4Very low107 Ų107143.1 Ų143.188%0.88476%0.757SS**  trans-62.297.6178.200000110.8
219Q40.3Very low45.7Very low181 Ų181139.4 Ų139.485%0.84675%0.754SS**PPolyproline II helixtrans-64.8134.8167.2-70.2-170.4-15.500108.7K217 S221K217-Q219 PolarHBondContact O-N 2.7Å; Q219-S221 PolarHBondContact O-N 2.73Å
220S50.5Low46Very low104 Ų104137.9 Ų137.973%0.72775%0.754SS**PPolyproline II helixtrans-57.1133.6-18050.90000110.6K222S220-K222 PolarHBondContact O-N 3.22Å
221S65.5Low45.9Very low73 Ų73135.4 Ų135.451%0.5175%0.75SS.*PPolyproline II helixtrans-47.5139.8179.7177.60000111.9Q219 W223 A224Q219-S221 PolarHBondContact O-N 2.73Å; S221-W223 PolarHBondContact O-N 3.02Å; S221-W223 PolarHBondContact OG-N 2.95Å; S221-A224 VanDerWaalsContact O-CB 3.29Å; S221-A224 WeakPolarHBondContact O-CB 3.32Å; S221-A224 PolarHBondContact O-N 2.84Å
222K66.3Low46Very low172 Ų172137.6 Ų137.675%0.74875%0.753SS**THydrogen-bonded Turntrans-56.9-12.8176-164168.8-178.21740113.1S220S220-K222 PolarHBondContact O-N 3.22Å
223W48Very low45.6Very low165 Ų165136.6 Ų136.663%0.62575%0.749SS**THydrogen-bonded Turntrans-87.3-10.6174.4-62.798000115.4S221 R225 F226 L227S221-W223 PolarHBondContact O-N 3.02Å; S221-W223 PolarHBondContact OG-N 2.95Å; W223-R225 PolarHBondContact O-N 3.21Å; W223-R225 VanDerWaalsContact O-N 3.16Å; W223-F226 HydrophobicContact CE3-CD2 4.16Å; W223-F226 PolarHBondContact O-N 3.37Å; W223-L227 PolarHBondContact O-N 3.16Å
224A58.4Low45.9Very low47 Ų47135.6 Ų135.639%0.38875%0.745SS.*G310 helixtrans-58.7-30.9-176.800000113S221 F226 L227S221-A224 VanDerWaalsContact O-CB 3.29Å; S221-A224 WeakPolarHBondContact O-CB 3.32Å; S221-A224 PolarHBondContact O-N 2.84Å; A224-F226 PolarHBondContact O-N 2.92Å; A224-L227 PolarHBondContact O-N 2.94Å
225R55.2Low45.8Very low187 Ų187135.7 Ų135.771%0.70674%0.741SS**G310 helixtrans-70-7.2174.4-70.9-175.7-83.8107.7-14.4114.9W223W223-R225 PolarHBondContact O-N 3.21Å; W223-R225 VanDerWaalsContact O-N 3.16Å
226F53.2Low45.4Very low147 Ų147132.2 Ų132.265%0.64573%0.733SS**G310 helixtrans-1153.6176.6-58.6-73.1000112.7W223 A224 L228W223-F226 HydrophobicContact CE3-CD2 4.16Å; W223-F226 PolarHBondContact O-N 3.37Å; A224-F226 PolarHBondContact O-N 2.92Å; F226-L228 PolarHBondContact O-N 2.99Å
227L50.9Low45.7Very low133 Ų133132.7 Ų132.770%0.69673%0.731SS**  trans-89.193.7166-63-179.9000107.6W223 A224 S229W223-L227 PolarHBondContact O-N 3.16Å; A224-L227 PolarHBondContact O-N 2.94Å; L227-S229 PolarHBondContact O-N 3.43Å; L227-S229 VanDerWaalsContact O-N 3.12Å
228L46.5Very low45.7Very low175 Ų175131.8 Ų131.892%0.91673%0.73SS**  trans-56.7117.7159.4-70.5172000107.2F226F226-L228 PolarHBondContact O-N 2.99Å
229S43Very low45.5Very low102 Ų102133 Ų13371%0.71372%0.722SS**  trans-56.2149.2167.8-56.70000109.2L227 G231L227-S229 PolarHBondContact O-N 3.43Å; L227-S229 VanDerWaalsContact O-N 3.12Å; S229-G231 PolarHBondContact O-N 2.77Å
230P44.6Very low45.4Very low127 Ų127130 Ų13083%0.82572%0.718SS**  trans-56.8103.9166.7-21.633.6000108.6N232P230-N232 PolarHBondContact O-N 3.09Å
231G35.8Very low44.5Very low70 Ų70130.5 Ų130.572%0.72272%0.721SS**PPolyproline II helixtrans-65.5126.9177.700000108.7S229 S233S229-G231 PolarHBondContact O-N 2.77Å; G231-S233 PolarHBondContact O-N 3.14Å; G231-S233 VanDerWaalsContact O-N 3.16Å
232N36Very low43Very low162 Ų162138.7 Ų138.787%0.86674%0.741SS**PPolyproline II helixtrans-59.6120.9173-66.1-55000108.4P230P230-N232 PolarHBondContact O-N 3.09Å
233S38.2Very low41.2Very low103 Ų103139.8 Ų139.872%0.7275%0.746SS**PPolyproline II helixtrans-60.6135.1171.4-173.20000108.6G231 H235G231-S233 PolarHBondContact O-N 3.14Å; G231-S233 VanDerWaalsContact O-N 3.16Å; S233-H235 PolarHBondContact O-N 3.49Å; S233-H235 VanDerWaalsContact O-N 3.14Å
234P38Very low40.7Very low110 Ų110139.8 Ų139.871%0.71476%0.757SS**PPolyproline II helixtrans-60.7120.5163.726.9-31.7000107.7V236P234-V236 PolarHBondContact O-N 3.4Å; P234-V236 VanDerWaalsContact O-N 3.09Å
235H37.5Very low39.6Very low165 Ų165146.1 Ų146.176%0.76478%0.779SS**  trans-73.395.3173.2172.9-67.6000107.8S233 D237S233-H235 PolarHBondContact O-N 3.49Å; S233-H235 VanDerWaalsContact O-N 3.14Å; H235-D237 PolarHBondContact O-N 3.31Å
236V37.1Very low38.5Very low121 Ų121141 Ų14173%0.73379%0.785SS**  trans-67.7128.3164.3-73.80000108.6P234 E238P234-V236 PolarHBondContact O-N 3.4Å; P234-V236 VanDerWaalsContact O-N 3.09Å; V236-E238 PolarHBondContact O-N 3Å
237D40.2Very low37.6Very low140 Ų140141.2 Ų141.275%0.74980%0.798SS**  trans-79.7104.6-176.2179.732.6000110.4H235H235-D237 PolarHBondContact O-N 3.31Å
238E34.8Very low36.8Very low177 Ų177146.1 Ų146.183%0.82781%0.807SS**  trans-119.864.5177.6-154.4173.513600111.6V236V236-E238 PolarHBondContact O-N 3Å
239N36.2Very low36.2Very low133 Ų133145.8 Ų145.871%0.71181%0.805SS**  trans32.695144.3-165-4.3000116.8S241N239-S241 PolarHBondContact O-N 3.17Å
240P37Very low35.7Very low118 Ų118144.6 Ų144.677%0.76680%0.802SS**  trans-65.8133.6-17626.9-34.4000112.9
241S32.3Very low35.2Very low114 Ų114146 Ų14680%0.79780%0.802SS**  trans-63.6144.7-174.1-81.30000114.3N239 F243N239-S241 PolarHBondContact O-N 3.17Å; S241-F243 PolarHBondContact O-N 3.17Å; S241-F243 VanDerWaalsContact O-N 3.14Å
242R33.3Very low35.6Very low245 Ų245147.5 Ų147.593%0.92580%0.799SS**  trans-51.3110.6-179.4-62.1169.7-179.8145.7-0.8112.5
243F28.7Very low35.2Very low195 Ų195145.9 Ų145.986%0.85580%0.795SS**  trans-93.3115.6162.4-121-91.6000110.1S241 Q245S241-F243 PolarHBondContact O-N 3.17Å; S241-F243 VanDerWaalsContact O-N 3.14Å; F243-Q245 PolarHBondContact O-N 2.94Å
244L38.4Very low35.1Very low165 Ų165150 Ų15086%0.86480%0.803SS**  trans-82.797.6178.1-72.5171.9000110.8
245Q35.5Very low34.8Very low180 Ų180148.8 Ų148.884%0.84180%0.802SS**  trans-134.6122.3154.8-83.2179.616.400108.8F243F243-Q245 PolarHBondContact O-N 2.94Å
246G31.5Very low34.7Very low80 Ų80149.2 Ų149.283%0.82581%0.805SS**  trans-108.8134.8-170.400000113
247T34.2Very low34.5Very low150 Ų150152 Ų15292%0.9281%0.81SS**  trans-136.3143.6155.4-2.20000108.5
248R33.9Very low33.9Very low236 Ų236149.2 Ų149.289%0.89181%0.814SS**  trans-87.8142.4-175.8-56.7167.7176.4-114.62.9110.3
249L33.9Very low33.7Very low169 Ų169146.6 Ų146.689%0.88581%0.81SS**  -168.5148.5114.2-140.262.1000113.2
250A32.7Very low33.4Very low77 Ų77147.5 Ų147.564%0.63682%0.815SS**  trans22.5112.9158.800000121.4
251D33.7Very low33.1Very low157 Ų157148.3 Ų148.384%0.8481%0.812SS**  48.7154100.8-77.9-53.1000122
252P43.8Very low33Very low100 Ų100146.9 Ų146.965%0.64981%0.808SS**  -128.5-179.9-123.244-31.8000116.1
253T28.8Very low33Very low129 Ų129145.2 Ų145.279%0.79181%0.807SS**  trans30.4123.1150.853.90000119.4
254Q35.2Very low33.4Very low189 Ų189142.1 Ų142.188%0.88380%0.804SS**  -133.2128.6127.2-155.2173.8-0.100110.5
255A32.2Very low33.6Very low84 Ų84140.4 Ų140.469%0.69480%0.803SS**  trans-110151.8161.400000107.4
256E34.6Very low33.3Very low175 Ų175134.8 Ų134.882%0.81879%0.793SS**  trans-158.5143.2155.2-95.8-84.249.200106.9
257Q33.2Very low33.4Very low179 Ų179140.7 Ų140.784%0.83680%0.799SS**  trans-101.9125.1-177.4-143.8898.400109.1
258G28.4Very low33.3Very low82 Ų82136.7 Ų136.785%0.84579%0.788SS**  trans-130.388.9-17600000113.3
259T31.3Very low33.3Very low121 Ų121133.3 Ų133.374%0.74278%0.782SS**  trans-93.7137.6175.7-55.40000110.5
260L29.2Very low33.2Very low153 Ų153134.2 Ų134.280%0.80178%0.779SS**  170.6148.6124.3-85.9168.3000113.5
261D30.3Very low33.4Very low135 Ų135135.6 Ų135.672%0.72278%0.784SS**  trans46.8103.9157.2-73.2-75.9000125
262A30.8Very low33.3Very low84 Ų84139 Ų13969%0.69479%0.785SS**  53.6113.8108.900000121.6
263K33.1Very low33.1Very low210 Ų210138.4 Ų138.491%0.91379%0.788SS**  trans-161134.5130.1-116.2166.2-174.5172.60113.8
264T36.7Very low34Very low130 Ų130137.6 Ų137.680%0.79879%0.786SS**  trans-121.2153.7155.8-29.20000106.5
265P43.1Very low34Very low128 Ų128134.9 Ų134.983%0.83178%0.777SS**  -152.2170.2104.139.1-22.4000115.6
266G29.7Very low34Very low62 Ų62136 Ų13664%0.63978%0.776SS**  trans90.3144.3161.800000116.2
267E31.9Very low34Very low205 Ų205133.7 Ų133.796%0.95877%0.773SS**  cis-164.6141.6-16.4-134.7167.8123.100108.8
268G31.9Very low33.9Very low66 Ų66133.2 Ų133.268%0.6877%0.771SS**  trans164.8105.117800000117.4
269H35.1Very low34.3Very low165 Ų165138.2 Ų138.276%0.76476%0.764SS**  trans-141.2163.5-176.7-75.95.5000111.3
270F32.3Very low34.8Very low187 Ų187138 Ų13882%0.8277%0.765SS**  cis-107-147.2-1.1-63.1-88000109.5
271S36.5Very low35Very low107 Ų107137.4 Ų137.475%0.74876%0.758SS**  cis-150.1140.49.4-100.30000108.1
272R31.7Very low34.8Very low229 Ų229137 Ų13786%0.86476%0.76SS**  78.696.566.8-172.3170.8-77.9-164.7-3.1114.5
273A38.5Very low34.8Very low86 Ų86139 Ų13971%0.71176%0.764SS**  trans-87.9174.8149.400000109.3
274P48.6Very low35.6Very low113 Ų113134.5 Ų134.573%0.73476%0.757SS**  -129.9-147.25532.6-8.4000111
275D34.4Very low35.1Very low131 Ų131132.6 Ų132.670%0.70175%0.754SS**  cis-162.7169.510.8-143.1-30.6000114.3
276T31.9Very low34.2Very low109 Ų109133.1 Ų133.167%0.66976%0.755SS**  trans18132.8147.9-630000121.1
277V34.6Very low34.4Very low125 Ų125136 Ų13676%0.75876%0.76SS**  -177.2114.7120152.40000112.8
278Q32Very low34.8Very low170 Ų170132.3 Ų132.379%0.79475%0.754SS**  trans31.3133.6146.1-52.7-165.359.900125.3
279R37.2Very low34.8Very low187 Ų187136.6 Ų136.671%0.70676%0.756SS**  trans-91.8144.4147.3166.5-162.3-174.6-163.912.2109.7
280P42.3Very low35.5Very low117 Ų117133.8 Ų133.876%0.7675%0.753SS**  trans-107.6162.8153.7-1.622.6000113.3
281Q33.3Very low35.4Very low140 Ų140131.9 Ų131.965%0.65475%0.746SS**  trans-135167.8163.7-71.1-134.2125.500110.1
282T26.4Very low35.2Very low126 Ų126129.4 Ų129.477%0.77374%0.738SS**  trans113.8135.7143.2-39.10000116.8
283T30Very low35.9Very low127 Ų127124.2 Ų124.278%0.77973%0.734SS**  trans-67.2-173.6173.710.80000113.7
284P49Very low35.5Very low115 Ų115123.3 Ų123.375%0.74773%0.733SS**  cis-139.5-179.3-1.837.2-16.3000118.2
285A26.6Very low34.9Very low89 Ų89129.3 Ų129.374%0.73674%0.741SS**  trans70.8128.9139.400000124.5
286T24.6Very low34.8Very low139 Ų139132.6 Ų132.685%0.85375%0.749SS**  157.8139.8114.8-62.80000113.5
287T33.2Very low34.9Very low124 Ų124132.5 Ų132.576%0.76175%0.748SS**  trans-86.5161.1-179-16.70000112.8
288P40.8Very low35.5Very low126 Ų126132.1 Ų132.182%0.81875%0.748SS**  -151.6175.978.839.4-18.7000117.9
289Q32.6Very low35.5Very low157 Ų157131.2 Ų131.273%0.73474%0.744SS**  trans-85.2179167.1-110.8-101.7-58.500110.9
290P50.3Low35.3Very low106 Ų106130.6 Ų130.669%0.68875%0.749SS**  cis-119.9-155.737.242.2-25.8000113.1
291E29.7Very low36.1Very low147 Ų147129.2 Ų129.269%0.68774%0.74SS**  cis-152.7177.6-1.8-143.6-61.279.100108.6
292G32.1Very low36Very low55 Ų55134.1 Ų134.157%0.56775%0.752SS**  trans-88-138.3157.600000113
293P46.8Very low36.2Very low120 Ų120132.2 Ų132.278%0.77975%0.75SS**  cis-121.4-175-2.141.3-27.9000112.9
294G28.4Very low36.3Very low67 Ų67135.3 Ų135.369%0.69176%0.758SS**  cis151.2-176.1-9.700000113.9
295R36.2Very low35.4Very low239 Ų239133.6 Ų133.690%0.90276%0.761SS**  trans64135164-62.6180175.4-98.4-0.9118.3
296K32.6Very low36Very low200 Ų200136.2 Ų136.287%0.8777%0.768SS**  -169.1142.563.651.4-147168.1-172.50115
297T34.8Very low37Very low106 Ų106135.7 Ų135.765%0.6577%0.767SS**  trans-88160.6164.9-26.10000110.5E299T297-E299 WeakPolarHBondContact CB-OE1 3.3Å; T297-E299 WeakPolarHBondContact CG2-OE1 3.46Å
298P47.7Very low37Very low117 Ų117138.6 Ų138.676%0.7677%0.772SS**  -147.3169.2104.331-11.4000115.1
299E30.5Very low36.6Very low152 Ų152137.2 Ų137.271%0.7177%0.771SS**  cis-164.4-153.4-35.2-135.973-9000109.2T297T297-E299 WeakPolarHBondContact CB-OE1 3.3Å; T297-E299 WeakPolarHBondContact CG2-OE1 3.46Å
300Q33.8Very low36.9Very low174 Ų174137.7 Ų137.781%0.81378%0.778SS**  trans-152.3-175.7178.7-93.4-112.24.700108.5
301P59.4Low36.1Very low87 Ų87136.1 Ų136.157%0.56578%0.782SS**  cis-140.5-156.39.131.7-4.6000115.5
302W30.5Very low36.6Very low243 Ų243139.7 Ų139.792%0.9279%0.789SS**  trans86.4147160.6-61.8-12000118.6
303A31.2Very low37.2Very low87 Ų87142.6 Ų142.672%0.71980%0.798SS**  cis-162.2177.5-17.700000111.7
304M32.3Very low36.9Very low192 Ų192143.9 Ų143.995%0.94680%0.798SS**  trans-21.6141.4177.7-68.1173.5-80.900120.1
305G29Very low37.2Very low79 Ų79145.2 Ų145.281%0.81480%0.802SS**  trans176.9109.2158.500000115.2
306T38.7Very low37.4Very low143 Ų143143.6 Ų143.688%0.87780%0.804SS**  trans-103.8145.7155.141.50000108.5
307P46.1Very low37.3Very low128 Ų128137.5 Ų137.583%0.83180%0.798SS**  -144.2169.299.538.7-24000116.1
308Q34.4Very low37.4Very low186 Ų186137.1 Ų137.187%0.86981%0.806SS**  trans-41.6140.8165.4165.1-16961.200116.5
309A31.8Very low36.9Very low96 Ų96141.2 Ų141.279%0.79382%0.815SS**  trans-161.9150.4146.200000110.9
310D38.6Very low37.3Very low167 Ų167143.5 Ų143.589%0.89382%0.823SS**  trans-74.2154.4179.8-68.3-88.1000114.2
311G32.5Very low37.7Very low74 Ų74139.1 Ų139.176%0.76382%0.817SS**  trans179.855.6-179.900000117P313G311-P313 WeakPolarHBondContact O-CD 3.43Å
312R40.5Very low36.8Very low221 Ų221140.8 Ų140.883%0.83483%0.827SS**  trans-85.6122.7168.5-166.7-174.2-159.1-136.97.2110.7
313P45.4Very low37.3Very low117 Ų117133 Ų13376%0.7682%0.815SS**  trans-119.1153.1137-3.524.1000112.7G311G311-P313 WeakPolarHBondContact O-CD 3.43Å
314L40.2Very low37.9Very low147 Ų147135.8 Ų135.877%0.7782%0.822SS**  trans-87.1119.9176.4-172.975.7000109.6
315A35.5Very low38.4Very low94 Ų94134.1 Ų134.178%0.77781%0.812SS**  trans-141.7149.8173.900000111.3
316Q40.1Very low39.1Very low205 Ų205138.2 Ų138.296%0.95882%0.815SS**  trans-84.8115.9-166.1-66.4161.2-45.900112.5
317G30.7Very low39.8Very low72 Ų72138.6 Ų138.674%0.74281%0.811SS**  trans-92.8116.7168.300000111.5
318A36.8Very low39.4Very low99 Ų99142.4 Ų142.482%0.81882%0.815SS**  trans-67.4133.4176.400000111.3K320A318-K320 PolarHBondContact O-N 2.98Å; A318-K320 VanDerWaalsContact O-N 3.09Å
319Q37Very low40.2Very low202 Ų202140.1 Ų140.194%0.94481%0.814SS**  trans-72.2106.4179.5-64.6-162.912.500111
320K38.7Very low40.9Very low200 Ų200140.7 Ų140.787%0.8781%0.808SS**  trans-89.1111.2172.3-174.9179.5179.4-176.90109.1A318A318-K320 PolarHBondContact O-N 2.98Å; A318-K320 VanDerWaalsContact O-N 3.09Å
321A41.9Very low41.5Very low83 Ų83136.6 Ų136.669%0.68681%0.805SS**PPolyproline II helixtrans-58.5142.7177.100000111.7
322P42Very low42.2Very low122 Ų122140.1 Ų140.179%0.79280%0.802SS**PPolyproline II helixtrans-66.7140.9174.228.7-34.1000110.4
323A40.7Very low42.7Very low79 Ų79137 Ų13765%0.65380%0.802SS**PPolyproline II helixtrans-72.5133.6172.700000109.8H325A323-H325 PolarHBondContact O-CD2 3.14Å; A323-H325 VanDerWaalsContact O-CD2 3.24Å; A323-H325 PolarHBondContact O-N 3.37Å
324V42.7Very low42.6Very low145 Ų145140.3 Ų140.388%0.87980%0.804SS**  trans-75.2106.6170.6-74.40000109.4
325H44Very low43.1Very low158 Ų158142.3 Ų142.373%0.73181%0.81SS**  trans-74.6145.2174.4-72-102.2000110.4A323 L327A323-H325 PolarHBondContact O-CD2 3.14Å; A323-H325 VanDerWaalsContact O-CD2 3.24Å; A323-H325 PolarHBondContact O-N 3.37Å; H325-L327 PolarHBondContact O-N 3.46Å; H325-L327 VanDerWaalsContact O-N 3.09Å
326N42.4Very low44.1Very low164 Ų164145.9 Ų145.988%0.87782%0.816SS**  trans-71.1104.1-178.4-62.4-72.3000110.8
327L53.9Low44.8Very low151 Ų151143.2 Ų143.279%0.79181%0.808SS**  trans-100.569.7179.7-89.7161.8000111.9H325H325-L327 PolarHBondContact O-N 3.46Å; H325-L327 VanDerWaalsContact O-N 3.09Å
328F36.7Very low45.6Very low208 Ų208151.1 Ų151.191%0.91283%0.832SS**  trans-150.659.9164.3-77.5-61.7000111.4
329T51.5Low46.1Very low138 Ų138153.8 Ų153.885%0.84783%0.833SS**  trans-137.157.1164.454.10000110.5
330T47.5Very low46.5Very low108 Ų108151.2 Ų151.266%0.66383%0.827SS**  trans-108.7115.1156.4-330000106E332T330-E332 HydrophobicContact CG2-CG 3.49Å; T330-E332 VanDerWaalsContact CG2-CG 3.49Å; T330-E332 PolarHBondContact O-N 3.29Å
331G51.7Low47Very low82 Ų82148.5 Ų148.585%0.84583%0.825SS**  trans-85.597164.400000106.5
332E46.5Very low47.3Very low148 Ų148152.4 Ų152.469%0.69283%0.833SS**  trans-91.5109.8177.1-64.8-178148.300107.5T330T330-E332 HydrophobicContact CG2-CG 3.49Å; T330-E332 VanDerWaalsContact CG2-CG 3.49Å; T330-E332 PolarHBondContact O-N 3.29Å
333D50.2Low47.6Very low155 Ų155154.3 Ų154.383%0.82984%0.836SS**  trans-71.8130.7177.3-141.51.7000108.2
334F45.1Very low48.1Very low186 Ų186159.3 Ų159.382%0.81685%0.848SS**  trans-100.2106172.7-85.7-95.6000107.4D336F334-D336 PolarHBondContact O-N 3.43Å
335E50.6Low48.4Very low190 Ų190160.3 Ų160.389%0.88885%0.845SS**  trans-67.8127.2170.6-62.7-157.510000109.7
336D54.6Low48.8Very low168 Ų168160.5 Ų160.590%0.89885%0.854SS**  trans-76.1123.1166.3-111.2-67.9000107.8F334F334-D336 PolarHBondContact O-N 3.43Å
337D56Low49.3Very low149 Ų149160.2 Ų160.280%0.79785%0.852SS**  trans-138.4146.1168.6-143.8-12.8000110.1
338L47.5Very low48.9Very low239 Ų239161 Ų161100%1.25186%0.858SS**  trans-75.80-149.6-69.5109.2000117.7

Retrieved 338 of 338 residues in 177.2 ms (Link to these results)