A0A096MQA1_PAPAN Loading...

Immediate early response 5

AlphaFold DB (A0A2K6B3Y9), UniProt , Accession A0A096MQA1, Species PAPAN (Papio anubis, Olive baboon), Gene IER5, Length 327 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
1M64.7Low91Very high208 Ų208129.1 Ų129.1100%1.02562%0.624SS**  01.40-66.6-179.1-174.200113.4K4M1-K4 PolarHBondContact O-N 3.15Å
2E77.4Confident91.5Very high149 Ų149123.1 Ų123.170%0.69661%0.605SS**Hα-helixtrans-76.5-38.2-166.13.3-173.7-172.800112.2K4 L5 E6E2-K4 PolarHBondContact O-N 3.33Å; E2-L5 PolarHBondContact O-N 3.47Å; E2-E6 PolarHBondContact O-N 3.01Å
3F89Confident91.9Very high178 Ų178120.5 Ų120.578%0.78159%0.594SS**Hα-helixtrans-61.1-30.1174.3-66.4-78.6000113.8A7F3-A7 WeakPolarHBondContact O-CB 3.27Å; F3-A7 PolarHBondContact O-N 3.35Å
4K90.3Very high92.2Very high176 Ų176115.4 Ų115.477%0.76558%0.576SS**Hα-helixtrans-73.6-35.5179-163.5174.2-178.6177.30111.5M1 E2 H8M1-K4 PolarHBondContact O-N 3.15Å; E2-K4 PolarHBondContact O-N 3.33Å; K4-H8 VanDerWaalsContact O-CB 3.27Å; K4-H8 WeakPolarHBondContact O-CB 3.25Å; K4-H8 PolarHBondContact O-N 2.95Å; K4-H8 VanDerWaalsContact O-N 3.09Å
5L95.8Very high92.5Very high130 Ų130114.9 Ų114.968%0.68158%0.576SS**Hα-helixtrans-73-40.1174.2-68.3174000111.4E2 H8 R9E2-L5 PolarHBondContact O-N 3.47Å; L5-H8 PolarHBondContact O-N 3.38Å; L5-R9 WeakPolarHBondContact O-CB 3.38Å; L5-R9 PolarHBondContact O-N 3.13Å
6E96.4Very high92.6Very high80 Ų80110.3 Ų110.337%0.37457%0.565SS.*Hα-helixtrans-69.7-40.4177.8-16958.2-154.800111.7E2 H8 R9 I10E2-E6 PolarHBondContact O-N 3.01Å; E6-H8 PolarHBondContact O-N 2.8Å; E6-R9 WeakPolarHBondContact O-CB 3.32Å; E6-R9 PolarHBondContact O-N 3.33Å; E6-R9 IonicContact OE1-NH1 3.49Å; E6-R9 PolarHBondContact OE1-NH1 3.3Å; E6-R9 WeakPolarHBondContact OE2-CD 3.17Å; E6-R9 IonicContact OE2-NH1 3.11Å; E6-R9 PolarHBondContact OE2-NH1 3.33Å; E6-R9 VanDerWaalsContact OE2-NH1 3.11Å; E6-I10 HydrophobicContact CG-CD1 4.19Å; E6-I10 VanDerWaalsContact O-CG1 3.28Å; E6-I10 WeakPolarHBondContact O-CG1 3.24Å; E6-I10 PolarHBondContact O-N 3.48Å
7A97.4Very high92.5Very high54 Ų54112.7 Ų112.745%0.44657%0.571SS.*Hα-helixtrans-60.4-45.5171.800000111.4F3 R9 I10 V11F3-A7 WeakPolarHBondContact O-CB 3.27Å; F3-A7 PolarHBondContact O-N 3.35Å; A7-R9 VanDerWaalsContact C-N 3.3Å; A7-R9 PolarHBondContact O-N 3.48Å; A7-I10 PolarHBondContact O-N 3.35Å; A7-V11 WeakPolarHBondContact O-CB 3.48Å; A7-V11 VanDerWaalsContact O-CG2 3.24Å; A7-V11 WeakPolarHBondContact O-CG2 3.44Å; A7-V11 PolarHBondContact O-N 3.45Å
8H97.2Very high92.2Very high127 Ų127110.6 Ų110.659%0.58856%0.56SS**Hα-helixtrans-62-38.2176.3-174-88.8000112.3K4 L5 E6 S12K4-H8 VanDerWaalsContact O-CB 3.27Å; K4-H8 WeakPolarHBondContact O-CB 3.25Å; K4-H8 PolarHBondContact O-N 2.95Å; K4-H8 VanDerWaalsContact O-N 3.09Å; L5-H8 PolarHBondContact O-N 3.38Å; E6-H8 PolarHBondContact O-N 2.8Å; H8-S12 WeakPolarHBondContact O-CB 3.31Å; H8-S12 PolarHBondContact O-N 3.09Å; H8-S12 PolarHBondContact O-OG 3.28Å
9R97.6Very high92Very high141 Ų141113.4 Ų113.453%0.53257%0.565SS.*Hα-helixtrans-64.7-47.7174.9-179.9-171.7174.3-165.21111.7L5 E6 A7 V11 S12 I13L5-R9 WeakPolarHBondContact O-CB 3.38Å; L5-R9 PolarHBondContact O-N 3.13Å; E6-R9 WeakPolarHBondContact O-CB 3.32Å; E6-R9 PolarHBondContact O-N 3.33Å; E6-R9 IonicContact OE1-NH1 3.49Å; E6-R9 PolarHBondContact OE1-NH1 3.3Å; E6-R9 WeakPolarHBondContact OE2-CD 3.17Å; E6-R9 IonicContact OE2-NH1 3.11Å; E6-R9 PolarHBondContact OE2-NH1 3.33Å; E6-R9 VanDerWaalsContact OE2-NH1 3.11Å; A7-R9 VanDerWaalsContact C-N 3.3Å; A7-R9 PolarHBondContact O-N 3.48Å; R9-V11 VanDerWaalsContact C-N 3.32Å; R9-V11 PolarHBondContact O-N 3.43Å; R9-S12 PolarHBondContact O-N 2.96Å; R9-I13 HydrophobicContact CG-CD1 3.83Å; R9-I13 VanDerWaalsContact O-CG1 3.27Å; R9-I13 WeakPolarHBondContact O-CG1 3.44Å; R9-I13 PolarHBondContact O-N 3.35Å
10I97.4Very high91.4Very high100 Ų100111.9 Ų111.951%0.51356%0.559SS.*Hα-helixtrans-60.4-44.2177.3-68.2168.2000110.2E6 A7 I13 S14E6-I10 HydrophobicContact CG-CD1 4.19Å; E6-I10 VanDerWaalsContact O-CG1 3.28Å; E6-I10 WeakPolarHBondContact O-CG1 3.24Å; E6-I10 PolarHBondContact O-N 3.48Å; A7-I10 PolarHBondContact O-N 3.35Å; I10-I13 PolarHBondContact O-N 2.88Å; I10-S14 WeakPolarHBondContact O-CB 3.28Å; I10-S14 PolarHBondContact O-N 3.25Å; I10-S14 PolarHBondContact O-OG 3.43Å
11V97.6Very high90.9Very high77 Ų77109.9 Ų109.947%0.46756%0.555SS.*Hα-helixtrans-60.9-44.9175.2170.30000111.3A7 R9 I13 S14 L15A7-V11 WeakPolarHBondContact O-CB 3.48Å; A7-V11 VanDerWaalsContact O-CG2 3.24Å; A7-V11 WeakPolarHBondContact O-CG2 3.44Å; A7-V11 PolarHBondContact O-N 3.45Å; R9-V11 VanDerWaalsContact C-N 3.32Å; R9-V11 PolarHBondContact O-N 3.43Å; V11-I13 PolarHBondContact O-N 3.29Å; V11-S14 VanDerWaalsContact CA-OG 3.31Å; V11-S14 WeakPolarHBondContact CA-OG 3.2Å; V11-S14 PolarHBondContact O-N 3.34Å; V11-S14 PolarHBondContact O-OG 2.94Å; V11-L15 HydrophobicContact CG1-CD1 3.85Å; V11-L15 WeakPolarHBondContact O-CB 3.42Å; V11-L15 WeakPolarHBondContact O-CG 3.42Å; V11-L15 PolarHBondContact O-N 2.92Å
12S97.4Very high91.4Very high57 Ų57108 Ų10840%0.39954%0.537SS..Hα-helixtrans-64-43179.5-60.10000112.2H8 R9 G16H8-S12 WeakPolarHBondContact O-CB 3.31Å; H8-S12 PolarHBondContact O-N 3.09Å; H8-S12 PolarHBondContact O-OG 3.28Å; R9-S12 PolarHBondContact O-N 2.96Å; S12-G16 PolarHBondContact O-N 2.68Å
13I96.9Very high91Very high90 Ų90105.5 Ų105.546%0.46253%0.532SS..Hα-helixtrans-66.4-43.9178.1-67166.6000110.7R9 I10 V11 G16 K17R9-I13 HydrophobicContact CG-CD1 3.83Å; R9-I13 VanDerWaalsContact O-CG1 3.27Å; R9-I13 WeakPolarHBondContact O-CG1 3.44Å; R9-I13 PolarHBondContact O-N 3.35Å; I10-I13 PolarHBondContact O-N 2.88Å; V11-I13 PolarHBondContact O-N 3.29Å; I13-G16 PolarHBondContact O-N 3.47Å; I13-K17 PolarHBondContact O-N 2.86Å
14S96.5Very high90.2Very high49 Ų49103 Ų10334%0.34352%0.522SS..Hα-helixtrans-66.3-39179.846.70000112I10 V11 K17 I18I10-S14 WeakPolarHBondContact O-CB 3.28Å; I10-S14 PolarHBondContact O-N 3.25Å; I10-S14 PolarHBondContact O-OG 3.43Å; V11-S14 VanDerWaalsContact CA-OG 3.31Å; V11-S14 WeakPolarHBondContact CA-OG 3.2Å; V11-S14 PolarHBondContact O-N 3.34Å; V11-S14 PolarHBondContact O-OG 2.94Å; S14-K17 PolarHBondContact O-N 3.19Å; S14-I18 WeakPolarHBondContact O-CD1 3.33Å; S14-I18 VanDerWaalsContact O-CG1 3.25Å; S14-I18 WeakPolarHBondContact O-CG1 3.34Å; S14-I18 PolarHBondContact O-N 2.96Å
15L95.7Very high88.9Confident108 Ų108104.5 Ų104.557%0.56552%0.523SS*.Hα-helixtrans-61.4-42.9171.2-77167.1000112.3V11 K17 I18 Y19V11-L15 HydrophobicContact CG1-CD1 3.85Å; V11-L15 WeakPolarHBondContact O-CB 3.42Å; V11-L15 WeakPolarHBondContact O-CG 3.42Å; V11-L15 PolarHBondContact O-N 2.92Å; L15-K17 VanDerWaalsContact C-N 3.33Å; L15-K17 PolarHBondContact O-N 3.32Å; L15-I18 PolarHBondContact O-N 3.41Å; L15-Y19 WeakPolarHBondContact O-CB 3.35Å; L15-Y19 PolarHBondContact O-N 3.23Å
16G93.9Very high87.7Confident40 Ų40100.3 Ų100.341%0.41251%0.511SS..Hα-helixtrans-60.1-42.2174.600000112.5S12 I13 Y19 N20S12-G16 PolarHBondContact O-N 2.68Å; I13-G16 PolarHBondContact O-N 3.47Å; G16-Y19 PolarHBondContact O-N 2.88Å; G16-N20 VanDerWaalsContact O-CB 3.3Å; G16-N20 WeakPolarHBondContact O-CB 3.27Å; G16-N20 PolarHBondContact O-N 3.28Å
17K92.2Very high86.7Confident152 Ų15298 Ų9866%0.66151%0.509SS*.Hα-helixtrans-63.6-42.3175.1-78.4-175.6156.9-176.80112.7I13 S14 L15 S21I13-K17 PolarHBondContact O-N 2.86Å; S14-K17 PolarHBondContact O-N 3.19Å; L15-K17 VanDerWaalsContact C-N 3.33Å; L15-K17 PolarHBondContact O-N 3.32Å; K17-S21 WeakPolarHBondContact O-CB 3.4Å; K17-S21 PolarHBondContact O-N 3.45Å; K17-S21 PolarHBondContact O-OG 3.4Å
18I85.9Confident85.4Confident74 Ų74101.7 Ų101.738%0.37952%0.52SS..Hα-helixtrans-67.7-40.8178.2-66.8162.4000110.8S14 L15 S21 R22S14-I18 WeakPolarHBondContact O-CD1 3.33Å; S14-I18 VanDerWaalsContact O-CG1 3.25Å; S14-I18 WeakPolarHBondContact O-CG1 3.34Å; S14-I18 PolarHBondContact O-N 2.96Å; L15-I18 PolarHBondContact O-N 3.41Å; I18-S21 PolarHBondContact O-OG 3.49Å; I18-R22 WeakPolarHBondContact O-CB 3.19Å; I18-R22 WeakPolarHBondContact O-CG 3.44Å; I18-R22 PolarHBondContact O-N 3.21Å; I18-R22 VanDerWaalsContact O-N 3.1Å
19Y88.2Confident84.2Confident164 Ų164103.6 Ų103.664%0.64353%0.527SS*.Hα-helixtrans-64.1-47.9176.3-178.9-99.1000111L15 G16 S21 R22 V23L15-Y19 WeakPolarHBondContact O-CB 3.35Å; L15-Y19 PolarHBondContact O-N 3.23Å; G16-Y19 PolarHBondContact O-N 2.88Å; Y19-S21 PolarHBondContact O-N 2.94Å; Y19-R22 PolarHBondContact O-N 2.89Å; Y19-V23 HydrophobicContact CD1-CG2 4.31Å; Y19-V23 HydrophobicContact CE1-CG2 3.93Å; Y19-V23 HydrophobicContact CE2-CG2 4.27Å; Y19-V23 WeakPolarHBondContact O-CG2 3.33Å; Y19-V23 PolarHBondContact O-N 2.92Å
20N81.4Confident83.5Confident84 Ų84101.6 Ų101.645%0.44953%0.526SS..Hα-helixtrans-64.9-40-179.3-155.5-73.4000112G16 R22 V23 Q24G16-N20 VanDerWaalsContact O-CB 3.3Å; G16-N20 WeakPolarHBondContact O-CB 3.27Å; G16-N20 PolarHBondContact O-N 3.28Å; N20-R22 VanDerWaalsContact C-N 3.33Å; N20-R22 PolarHBondContact O-N 3.45Å; N20-V23 PolarHBondContact O-N 2.75Å; N20-Q24 VanDerWaalsContact O-CB 3.32Å; N20-Q24 WeakPolarHBondContact O-CB 3.35Å; N20-Q24 WeakPolarHBondContact O-CG 3.22Å; N20-Q24 PolarHBondContact O-N 2.86Å; N20-Q24 PolarHBondContact OD1-NE2 3.36Å
21S79.6Confident82.8Confident69 Ų69102.1 Ų102.148%0.48353%0.526SS..Hα-helixtrans-66.5-31.9175.871.80000113.4K17 I18 Y19 Q24 R25K17-S21 WeakPolarHBondContact O-CB 3.4Å; K17-S21 PolarHBondContact O-N 3.45Å; K17-S21 PolarHBondContact O-OG 3.4Å; I18-S21 PolarHBondContact O-OG 3.49Å; Y19-S21 PolarHBondContact O-N 2.94Å; S21-Q24 CarbonylContact O-C 3.56Å; S21-R25 PolarHBondContact O-N 3.06Å; S21-R25 VanDerWaalsContact O-N 3.12Å
22R75.5Confident82.3Confident169 Ų169104.9 Ų104.964%0.63853%0.532SS*.Hα-helixtrans-73.8-35.8174.6-72.6174-176.3-160.13.3112.5I18 Y19 N20 R25I18-R22 WeakPolarHBondContact O-CB 3.19Å; I18-R22 WeakPolarHBondContact O-CG 3.44Å; I18-R22 PolarHBondContact O-N 3.21Å; I18-R22 VanDerWaalsContact O-N 3.1Å; Y19-R22 PolarHBondContact O-N 2.89Å; N20-R22 VanDerWaalsContact C-N 3.33Å; N20-R22 PolarHBondContact O-N 3.45Å; R22-R25 WeakPolarHBondContact O-CB 3.44Å; R22-R25 PolarHBondContact O-N 3.1Å
23V69.8Low81.8Confident97 Ų97106.4 Ų106.459%0.58854%0.536SS*.Hα-helixtrans-74.2-32.3175.5178.50000110.9Y19 N20 R25Y19-V23 HydrophobicContact CD1-CG2 4.31Å; Y19-V23 HydrophobicContact CE1-CG2 3.93Å; Y19-V23 HydrophobicContact CE2-CG2 4.27Å; Y19-V23 WeakPolarHBondContact O-CG2 3.33Å; Y19-V23 PolarHBondContact O-N 2.92Å; N20-V23 PolarHBondContact O-N 2.75Å; V23-R25 VanDerWaalsContact C-N 3.27Å; V23-R25 PolarHBondContact O-N 3.42Å
24Q71.1Confident81.5Confident125 Ų125107.7 Ų107.758%0.58454%0.543SS*.THydrogen-bonded Turntrans-84.28.2172.1-68.1-177.4-0.200114.2N20 S21 G26 G27N20-Q24 VanDerWaalsContact O-CB 3.32Å; N20-Q24 WeakPolarHBondContact O-CB 3.35Å; N20-Q24 WeakPolarHBondContact O-CG 3.22Å; N20-Q24 PolarHBondContact O-N 2.86Å; N20-Q24 PolarHBondContact OD1-NE2 3.36Å; S21-Q24 CarbonylContact O-C 3.56Å; Q24-G26 CarbonylContact O-C 3.34Å; Q24-G26 PolarHBondContact O-N 3.37Å; Q24-G27 WeakPolarHBondContact O-CA 3.3Å; Q24-G27 PolarHBondContact O-N 3.11Å
25R63.3Low81.3Confident207 Ų207109.1 Ų109.178%0.78155%0.546SS*.THydrogen-bonded Turntrans-61.1-15.2172.4-143.4173.2-168.1162.81.5111.6S21 R22 V23S21-R25 PolarHBondContact O-N 3.06Å; S21-R25 VanDerWaalsContact O-N 3.12Å; R22-R25 WeakPolarHBondContact O-CB 3.44Å; R22-R25 PolarHBondContact O-N 3.1Å; V23-R25 VanDerWaalsContact C-N 3.27Å; V23-R25 PolarHBondContact O-N 3.42Å
26G70.4Confident81.2Confident42 Ų42108 Ų10843%0.43354%0.544SS..SBendtrans-94.664.7156.900000113.5Q24Q24-G26 CarbonylContact O-C 3.34Å; Q24-G26 PolarHBondContact O-N 3.37Å
27G74.9Confident81.2Confident32 Ų32109.5 Ų109.533%0.3355%0.548SS..  trans-67.2179.2177.300000112.6Q24 K29 L30 H31Q24-G27 WeakPolarHBondContact O-CA 3.3Å; Q24-G27 PolarHBondContact O-N 3.11Å; G27-K29 PolarHBondContact O-N 3.49Å; G27-L30 PolarHBondContact O-N 3.39Å; G27-H31 PolarHBondContact O-N 3.43Å
28I70.5Confident81.4Confident132 Ų132107.1 Ų107.168%0.67754%0.542SS*.Hα-helixtrans-48.8-31175.6-62.7166.7000111.5H31 K32I28-H31 PolarHBondContact O-N 3.23Å; I28-K32 HydrophobicContact CG2-CD 4.26Å; I28-K32 HydrophobicContact CG2-CG 4.48Å; I28-K32 WeakPolarHBondContact O-CB 3.32Å; I28-K32 VanDerWaalsContact O-CG 3.28Å; I28-K32 WeakPolarHBondContact O-CG 3.38Å; I28-K32 PolarHBondContact O-N 3.01Å
29K72.6Confident82Confident166 Ų166108.3 Ų108.372%0.72255%0.552SS**Hα-helixtrans-68.6-41175.2-165.9167.8-178.4166.50113.5G27 N33G27-K29 PolarHBondContact O-N 3.49Å; K29-N33 PolarHBondContact O-N 3.45Å; K29-N33 VanDerWaalsContact O-N 3.1Å; K29-N33 PolarHBondContact O-ND2 3.44Å
30L81.9Confident82.4Confident100 Ų100106 Ų10652%0.52455%0.55SS.*Hα-helixtrans-67.8-39.6172.7-176.865.3000110.4G27 K32 N33 L34G27-L30 PolarHBondContact O-N 3.39Å; L30-K32 PolarHBondContact O-N 3.1Å; L30-N33 PolarHBondContact O-N 3.23Å; L30-L34 WeakPolarHBondContact O-CB 3.5Å; L30-L34 PolarHBondContact O-N 2.94Å
31H83.4Confident83.1Confident111 Ų111110.7 Ų110.751%0.51456%0.562SS.*Hα-helixtrans-58.5-47.3176.1-17965000111.9G27 I28 N33 L34 L35G27-H31 PolarHBondContact O-N 3.43Å; I28-H31 PolarHBondContact O-N 3.23Å; H31-N33 PolarHBondContact O-N 3.12Å; H31-L34 PolarHBondContact O-N 3.28Å; H31-L35 WeakPolarHBondContact NE2-CD1 3.49Å; H31-L35 WeakPolarHBondContact O-CB 3.48Å; H31-L35 WeakPolarHBondContact O-CG 3.34Å; H31-L35 PolarHBondContact O-N 2.96Å
32K88.2Confident83.8Confident135 Ų135110.1 Ų110.159%0.58756%0.558SS**Hα-helixtrans-59.6-45.2174.8-74.2175.9178-173.90112.2I28 L30 L35 V36I28-K32 HydrophobicContact CG2-CD 4.26Å; I28-K32 HydrophobicContact CG2-CG 4.48Å; I28-K32 WeakPolarHBondContact O-CB 3.32Å; I28-K32 VanDerWaalsContact O-CG 3.28Å; I28-K32 WeakPolarHBondContact O-CG 3.38Å; I28-K32 PolarHBondContact O-N 3.01Å; L30-K32 PolarHBondContact O-N 3.1Å; K32-L35 PolarHBondContact O-N 3.28Å; K32-V36 WeakPolarHBondContact O-CG2 3.34Å; K32-V36 PolarHBondContact O-N 3Å
33N86.6Confident84.7Confident89 Ų89104.7 Ų104.748%0.47655%0.549SS..Hα-helixtrans-64.9-40.8177.4-79.2-83.4000111.9K29 L30 H31 L35 V36 S37K29-N33 PolarHBondContact O-N 3.45Å; K29-N33 VanDerWaalsContact O-N 3.1Å; K29-N33 PolarHBondContact O-ND2 3.44Å; L30-N33 PolarHBondContact O-N 3.23Å; H31-N33 PolarHBondContact O-N 3.12Å; N33-L35 PolarHBondContact O-N 3.45Å; N33-V36 PolarHBondContact O-N 2.94Å; N33-S37 WeakPolarHBondContact O-CB 3.48Å; N33-S37 PolarHBondContact O-N 3.42Å; N33-S37 PolarHBondContact O-OG 2.91Å; N33-S37 VanDerWaalsContact O-OG 3.08Å
34L89.9Confident85.8Confident116 Ų116108.2 Ų108.261%0.60755%0.552SS**Hα-helixtrans-66.1-37.8177.3-172.765.1000112L30 H31 S37 L38L30-L34 WeakPolarHBondContact O-CB 3.5Å; L30-L34 PolarHBondContact O-N 2.94Å; H31-L34 PolarHBondContact O-N 3.28Å; L34-S37 PolarHBondContact O-N 3.22Å; L34-L38 WeakPolarHBondContact O-CB 3.34Å; L34-L38 PolarHBondContact O-N 3.44Å
35L91.7Very high86.8Confident80 Ų80108.4 Ų108.442%0.41955%0.552SS.*Hα-helixtrans-62.6-46172.7-75.9174.6000111.4H31 K32 N33 L38 V39H31-L35 WeakPolarHBondContact NE2-CD1 3.49Å; H31-L35 WeakPolarHBondContact O-CB 3.48Å; H31-L35 WeakPolarHBondContact O-CG 3.34Å; H31-L35 PolarHBondContact O-N 2.96Å; K32-L35 PolarHBondContact O-N 3.28Å; N33-L35 PolarHBondContact O-N 3.45Å; L35-L38 PolarHBondContact O-N 3.36Å; L35-V39 WeakPolarHBondContact O-CG2 3.28Å; L35-V39 PolarHBondContact O-N 2.89Å
36V95.2Very high88.1Confident84 Ų84103 Ų10351%0.50954%0.542SS..Hα-helixtrans-61.1-45.8175.9172.80000110.5K32 N33 L38 V39 L40K32-V36 WeakPolarHBondContact O-CG2 3.34Å; K32-V36 PolarHBondContact O-N 3Å; N33-V36 PolarHBondContact O-N 2.94Å; V36-L38 VanDerWaalsContact C-N 3.32Å; V36-L38 PolarHBondContact O-N 3.31Å; V36-V39 PolarHBondContact O-N 2.93Å; V36-L40 HydrophobicContact CG1-CD1 3.91Å; V36-L40 HydrophobicContact CG1-CG 4.35Å; V36-L40 WeakPolarHBondContact O-CB 3.36Å; V36-L40 WeakPolarHBondContact O-CG 3.38Å; V36-L40 PolarHBondContact O-N 3.46Å
37S93.9Very high88.9Confident71 Ų71109.8 Ų109.850%0.49756%0.556SS.*Hα-helixtrans-60.1-39.9175.7-640000112.4N33 L34 R41N33-S37 WeakPolarHBondContact O-CB 3.48Å; N33-S37 PolarHBondContact O-N 3.42Å; N33-S37 PolarHBondContact O-OG 2.91Å; N33-S37 VanDerWaalsContact O-OG 3.08Å; L34-S37 PolarHBondContact O-N 3.22Å; S37-R41 VanDerWaalsContact O-CB 3.27Å; S37-R41 WeakPolarHBondContact O-CB 3.38Å; S37-R41 PolarHBondContact O-N 3.19Å
38L96.1Very high89.4Confident103 Ų103113 Ų11354%0.53957%0.565SS.*Hα-helixtrans-65.5-44.9175.9-17964.2000111.7L34 L35 V36 R41 S42L34-L38 WeakPolarHBondContact O-CB 3.34Å; L34-L38 PolarHBondContact O-N 3.44Å; L35-L38 PolarHBondContact O-N 3.36Å; V36-L38 VanDerWaalsContact C-N 3.32Å; V36-L38 PolarHBondContact O-N 3.31Å; L38-R41 PolarHBondContact O-N 3.37Å; L38-S42 WeakPolarHBondContact O-CB 3.28Å; L38-S42 PolarHBondContact O-N 2.81Å; L38-S42 PolarHBondContact O-OG 3.04Å
39V97.2Very high89.8Confident98 Ų98110.6 Ų110.659%0.59456%0.56SS**Hα-helixtrans-63.2-46.2178.3170.80000111L35 V36 R41 S42 A43L35-V39 WeakPolarHBondContact O-CG2 3.28Å; L35-V39 PolarHBondContact O-N 2.89Å; V36-V39 PolarHBondContact O-N 2.93Å; V39-R41 VanDerWaalsContact C-N 3.35Å; V39-R41 PolarHBondContact O-N 2.76Å; V39-S42 PolarHBondContact O-N 3.1Å; V39-A43 WeakPolarHBondContact O-CB 3.27Å; V39-A43 PolarHBondContact O-N 2.92Å
40L96.5Very high89.7Confident115 Ų115107.6 Ų107.660%0.60255%0.552SS**Hα-helixtrans-64.3-38.8177.9-70.3174.8000112.1V36 A43 R44V36-L40 HydrophobicContact CG1-CD1 3.91Å; V36-L40 HydrophobicContact CG1-CG 4.35Å; V36-L40 WeakPolarHBondContact O-CB 3.36Å; V36-L40 WeakPolarHBondContact O-CG 3.38Å; V36-L40 PolarHBondContact O-N 3.46Å; L40-A43 PolarHBondContact O-N 2.86Å; L40-R44 WeakPolarHBondContact O-CB 3.43Å; L40-R44 PolarHBondContact O-N 2.86Å
41R95.8Very high88.7Confident184 Ų184107.4 Ų107.469%0.69456%0.557SS**Hα-helixtrans-63.7-44.2174.2-175.7177.4-178.3164.72.4111.6S37 L38 V39 R44 Q45S37-R41 VanDerWaalsContact O-CB 3.27Å; S37-R41 WeakPolarHBondContact O-CB 3.38Å; S37-R41 PolarHBondContact O-N 3.19Å; L38-R41 PolarHBondContact O-N 3.37Å; V39-R41 VanDerWaalsContact C-N 3.35Å; V39-R41 PolarHBondContact O-N 2.76Å; R41-R44 PolarHBondContact O-N 3.43Å; R41-Q45 WeakPolarHBondContact O-CB 3.45Å; R41-Q45 PolarHBondContact O-N 3.39Å
42S94.3Very high87.3Confident57 Ų57106.4 Ų106.440%0.39956%0.561SS.*Hα-helixtrans-63.4-43.6175.7-64.10000111.7L38 V39 Q45 V46L38-S42 WeakPolarHBondContact O-CB 3.28Å; L38-S42 PolarHBondContact O-N 2.81Å; L38-S42 PolarHBondContact O-OG 3.04Å; V39-S42 PolarHBondContact O-N 3.1Å; S42-Q45 WeakPolarHBondContact O-CB 3.35Å; S42-Q45 PolarHBondContact O-N 2.91Å; S42-Q45 VanDerWaalsContact O-N 3.16Å; S42-V46 WeakPolarHBondContact O-CG2 3.38Å; S42-V46 PolarHBondContact O-N 3.5Å
43A95.1Very high85.8Confident54 Ų54104.7 Ų104.745%0.44656%0.564SS.*Hα-helixtrans-62.8-43.8176.700000111.8V39 L40 Q45 V46 Y47V39-A43 WeakPolarHBondContact O-CB 3.27Å; V39-A43 PolarHBondContact O-N 2.92Å; L40-A43 PolarHBondContact O-N 2.86Å; A43-Q45 VanDerWaalsContact C-N 3.29Å; A43-Q45 PolarHBondContact O-N 3.3Å; A43-V46 PolarHBondContact O-N 3.08Å; A43-Y47 VanDerWaalsContact O-CB 3.32Å; A43-Y47 WeakPolarHBondContact O-CB 3.1Å; A43-Y47 PolarHBondContact O-N 2.89Å
44R93.9Very high84.1Confident172 Ų172103.2 Ų103.265%0.64957%0.57SS**Hα-helixtrans-60.3-40.9172.7-179.4-179.6-179.7-810.3111.4L40 R41 Y47 L48L40-R44 WeakPolarHBondContact O-CB 3.43Å; L40-R44 PolarHBondContact O-N 2.86Å; R41-R44 PolarHBondContact O-N 3.43Å; R44-Y47 PolarHBondContact O-N 3.25Å; R44-L48 HydrophobicContact CG-CD1 3.68Å; R44-L48 HydrophobicContact CG-CG 4.26Å; R44-L48 WeakPolarHBondContact O-CB 3.5Å; R44-L48 VanDerWaalsContact O-CG 3.28Å; R44-L48 WeakPolarHBondContact O-CG 3.45Å; R44-L48 PolarHBondContact O-N 3.38Å
45Q90.4Very high82.3Confident129 Ų129104.3 Ų104.360%0.60358%0.575SS**Hα-helixtrans-62.8-47.4178-175.1166.2-15.700110.7R41 S42 A43 L48 S49R41-Q45 WeakPolarHBondContact O-CB 3.45Å; R41-Q45 PolarHBondContact O-N 3.39Å; S42-Q45 WeakPolarHBondContact O-CB 3.35Å; S42-Q45 PolarHBondContact O-N 2.91Å; S42-Q45 VanDerWaalsContact O-N 3.16Å; A43-Q45 VanDerWaalsContact C-N 3.29Å; A43-Q45 PolarHBondContact O-N 3.3Å; Q45-L48 PolarHBondContact O-N 3.3Å; Q45-S49 WeakPolarHBondContact O-CA 3.25Å; Q45-S49 WeakPolarHBondContact O-CB 3.25Å; Q45-S49 PolarHBondContact O-N 3.48Å; Q45-S49 PolarHBondContact O-OG 3.46Å
46V90.9Very high80.2Confident92 Ų92110.6 Ų110.656%0.55860%0.595SS**Hα-helixtrans-59.8-48.6175.3174.30000111.1S42 A43 L48 S49 D50S42-V46 WeakPolarHBondContact O-CG2 3.38Å; S42-V46 PolarHBondContact O-N 3.5Å; A43-V46 PolarHBondContact O-N 3.08Å; V46-L48 VanDerWaalsContact C-N 3.29Å; V46-L48 PolarHBondContact O-N 2.81Å; V46-S49 WeakPolarHBondContact CA-OG 3.32Å; V46-S49 PolarHBondContact O-N 3.25Å; V46-S49 PolarHBondContact O-OG 2.93Å; V46-D50 WeakPolarHBondContact O-CB 3.32Å; V46-D50 PolarHBondContact O-N 3.47Å
47Y88.4Confident77.9Confident185 Ų185114.3 Ų114.373%0.72561%0.611SS**Hα-helixtrans-60.5-35.8-179.1-179.1-99.2000113.5A43 R44A43-Y47 VanDerWaalsContact O-CB 3.32Å; A43-Y47 WeakPolarHBondContact O-CB 3.1Å; A43-Y47 PolarHBondContact O-N 2.89Å; R44-Y47 PolarHBondContact O-N 3.25Å
48L85.6Confident75.8Confident99 Ų99114.9 Ų114.952%0.51862%0.62SS.*Hα-helixtrans-91-23.4179.5-64.9176.9000113.4R44 Q45 V46R44-L48 HydrophobicContact CG-CD1 3.68Å; R44-L48 HydrophobicContact CG-CG 4.26Å; R44-L48 WeakPolarHBondContact O-CB 3.5Å; R44-L48 VanDerWaalsContact O-CG 3.28Å; R44-L48 WeakPolarHBondContact O-CG 3.45Å; R44-L48 PolarHBondContact O-N 3.38Å; Q45-L48 PolarHBondContact O-N 3.3Å; V46-L48 VanDerWaalsContact C-N 3.29Å; V46-L48 PolarHBondContact O-N 2.81Å
49S77.1Confident73Confident82 Ų82112.3 Ų112.357%0.57362%0.619SS**Hα-helixtrans-82-19.5176.464.90000112.8Q45 V46 P51Q45-S49 WeakPolarHBondContact O-CA 3.25Å; Q45-S49 WeakPolarHBondContact O-CB 3.25Å; Q45-S49 PolarHBondContact O-N 3.48Å; Q45-S49 PolarHBondContact O-OG 3.46Å; V46-S49 WeakPolarHBondContact CA-OG 3.32Å; V46-S49 PolarHBondContact O-N 3.25Å; V46-S49 PolarHBondContact O-OG 2.93Å; S49-P51 VanDerWaalsContact O-CD 3.25Å; S49-P51 WeakPolarHBondContact O-CD 3.49Å
50D70.9Confident70.8Confident103 Ų103114.5 Ų114.555%0.55164%0.635SS**SBendtrans-85.7104.8173.2-144.20.2000108.1V46 C52V46-D50 WeakPolarHBondContact O-CB 3.32Å; V46-D50 PolarHBondContact O-N 3.47Å; D50-C52 PolarHBondContact O-N 3.05Å
51P61Low68.2Low97 Ų97113.8 Ų113.863%0.6365%0.645SS**  trans-61.9126.9172.9-8.525.4000106.4S49S49-P51 VanDerWaalsContact O-CD 3.25Å; S49-P51 WeakPolarHBondContact O-CD 3.49Å
52C55.1Low65.3Low90 Ų90108.3 Ų108.361%0.60865%0.647SS**  trans-38.7126.8-177.1-61.50000112.3D50 G54 L55D50-C52 PolarHBondContact O-N 3.05Å; C52-G54 PolarHBondContact O-N 3.3Å; C52-L55 PolarHBondContact O-N 3.38Å
53P55.4Low62.9Low99 Ų99113.2 Ų113.264%0.64367%0.667SS**G310 helixtrans-60.1-9.3171.7-21.431.5000113.3L55P53-L55 VanDerWaalsContact C-N 3.33Å; P53-L55 PolarHBondContact O-N 2.97Å
54G51.6Low60.4Low58 Ų58116.3 Ų116.360%0.59868%0.682SS**G310 helixtrans-75.8-7.8177.100000115.8C52C52-G54 PolarHBondContact O-N 3.3Å
55L51.3Low58.2Low139 Ų139112.3 Ų112.373%0.72869%0.686SS**G310 helixtrans-97.9-6.9174.5-66.4-177.5000114.1C52 P53C52-L55 PolarHBondContact O-N 3.38Å; P53-L55 VanDerWaalsContact C-N 3.33Å; P53-L55 PolarHBondContact O-N 2.97Å
56Y48.3Very low56.3Low211 Ų211111.7 Ų111.783%0.82769%0.693SS**SBendtrans-91.8-5.4176.6-90-89.6000114.4
57L48Very low54.2Low162 Ų162112.8 Ų112.885%0.84870%0.702SS**SBendtrans-94.4-7171.4-87.6113.5000114.3G59L57-G59 VanDerWaalsContact C-N 3.27Å; L57-G59 PolarHBondContact O-N 3.43Å; L57-G59 VanDerWaalsContact O-N 3.08Å
58A48Very low52.1Low83 Ų83110.1 Ų110.169%0.68671%0.708SS**SBendtrans-82.180.3164.700000108.3
59G37.9Very low50.3Low50 Ų50114.1 Ų114.152%0.51572%0.723SS.*  trans-55.5162.1176.100000112.9L57 A61L57-G59 VanDerWaalsContact C-N 3.27Å; L57-G59 PolarHBondContact O-N 3.43Å; L57-G59 VanDerWaalsContact O-N 3.08Å; G59-A61 VanDerWaalsContact C-N 3.29Å; G59-A61 PolarHBondContact O-N 3.16Å
60P51.8Low48.5Very low144 Ų144119.2 Ų119.294%0.93574%0.738SS**  trans-72.186178.731.4-32.3000109.2
61A40.6Very low47Very low99 Ų99122.9 Ų122.982%0.81875%0.752SS**  trans-103.5115.3171.300000109.3G59G59-A61 VanDerWaalsContact C-N 3.29Å; G59-A61 PolarHBondContact O-N 3.16Å
62G36.3Very low46.7Very low70 Ų70123.9 Ų123.972%0.72276%0.758SS**  trans11694.3155.500000115.1
63I43.3Very low45.7Very low160 Ų160123.4 Ų123.482%0.82177%0.769SS**  trans-46.3129.9150.6-62.5171000108.4A65I63-A65 PolarHBondContact O-N 2.91Å
64P42.3Very low44.8Very low118 Ų118127.6 Ų127.677%0.76678%0.78SS**  trans-76109.5173.729.2-28.7000108.6
65A47.7Very low44.8Very low88 Ų88129.9 Ų129.973%0.72778%0.784SS**PPolyproline II helixtrans-70.6128.1159.100000108I63I63-A65 PolarHBondContact O-N 2.91Å
66P50.2Low44.5Very low116 Ų116128 Ų12875%0.75379%0.788SS**PPolyproline II helixtrans-75.5138.9-177.829.4-32.9000111
67P46.8Very low43.9Very low116 Ų116122.9 Ų122.975%0.75379%0.79SS**PPolyproline II helixtrans-74.6149.6169.430.3-31.5000110.8
68P44.3Very low43.9Very low129 Ų129118.3 Ų118.384%0.83878%0.782SS**PPolyproline II helixtrans-72136.7-17929.1-31.6000111.2
69Q48.3Very low44.4Very low182 Ų182120.4 Ų120.485%0.8579%0.789SS**PPolyproline II helixtrans-53.9127.4174.5-79.2-135.954.400113.7
70Q38.5Very low44.7Very low190 Ų190124 Ų12489%0.88880%0.803SS**  trans-147.497144.4-70.4-163.2100111.6
71Q40.4Very low44.6Very low179 Ų179122.3 Ų122.384%0.83680%0.801SS**  61.2154.2128.6-76.6-114.7-28.500122.5
72P54Low44.6Very low118 Ų118120.4 Ų120.477%0.76679%0.791SS**  trans-111152-138.7148.3000115.4
73G33.8Very low44.7Very low80 Ų80129.1 Ų129.183%0.82580%0.802SS**  trans-174.1106.6167.700000113.9
74E36.9Very low44.7Very low188 Ų188125.2 Ų125.288%0.87980%0.802SS**  trans-75.8171.7158.5-113.1-1707600110.3
75P51.8Low45Very low106 Ų106128.4 Ų128.469%0.68881%0.806SS**  cis-139.3172.815.434.5-11.7000117.6
76A45.1Very low45.7Very low98 Ų98129.4 Ų129.481%0.8181%0.805SS**  trans53.3112.314500000121.9
77A36.3Very low46.4Very low104 Ų104129.6 Ų129.686%0.8681%0.806SS**  trans-158.5121.1135.700000109.4
78G47.3Very low47Very low67 Ų67129.3 Ų129.369%0.69180%0.804SS**PPolyproline II helixtrans-65.9164.8-178.300000113.8
79P58.6Low47.4Very low126 Ų126129.3 Ų129.382%0.81881%0.805SS**PPolyproline II helixtrans-68.7142.1176.228-31.7000110.6A81P79-A81 PolarHBondContact O-N 3.44Å
80P44.4Very low47.2Very low126 Ų126127.6 Ų127.682%0.81881%0.806SS**PPolyproline II helixtrans-64.6126.1-178.925.2-32.4000111G82P80-G82 PolarHBondContact O-N 3.45Å
81A49.9Very low47.4Very low109 Ų109122.7 Ų122.790%0.90180%0.798SS**PPolyproline II helixtrans-52.9124.4163.400000109.7P79P79-A81 PolarHBondContact O-N 3.44Å
82G40.2Very low47.8Very low58 Ų58125.9 Ų125.960%0.59880%0.802SS**  trans-164.127.5-177.100000113.9P80P80-G82 PolarHBondContact O-N 3.45Å
83W38.2Very low46.9Very low254 Ų254124.4 Ų124.496%0.96280%0.8SS**SBendtrans-136.4103.3163.5-65.194.3000106.8
84G42.7Very low47.2Very low78 Ų78125.6 Ų125.680%0.80480%0.796SS**PPolyproline II helixtrans-58135.9-179.200000111.2
85E50.5Low47Very low185 Ų185128.3 Ų128.386%0.86480%0.798SS**PPolyproline II helixtrans-58.8130.4169.6-168.4145.788.600109.8
86P61.3Low46.9Very low109 Ų109127.8 Ų127.871%0.70880%0.795SS**PPolyproline II helixtrans-68138.6175.427.4-32.7000109.9
87P64.8Low46.2Very low119 Ų119131.4 Ų131.477%0.77380%0.795SS**PPolyproline II helixtrans-66.1148.9176.828.2-33.5000110.7
88P59.2Low46.1Very low110 Ų110131.7 Ų131.771%0.71479%0.786SS**PPolyproline II helixtrans-65.3150.2-179.527.2-34.2000111.4V90P88-V90 PolarHBondContact O-N 2.89Å; P88-V90 VanDerWaalsContact O-N 3.13Å
89P53.2Low45.6Very low130 Ų130135.9 Ų135.984%0.84479%0.788SS**  trans-67.6114.4-178.527.3-32.8000110.1A91P89-A91 PolarHBondContact O-N 2.91Å
90V43.3Very low44.6Very low145 Ų145135.5 Ų135.588%0.87979%0.785SS**  trans-64.5127.1167.8-179.40000108.3P88P88-V90 PolarHBondContact O-N 2.89Å; P88-V90 VanDerWaalsContact O-N 3.13Å
91A43.2Very low44.2Very low87 Ų87135.9 Ų135.972%0.71978%0.776SS**  trans-57140.3-178.100000113P89P89-A91 PolarHBondContact O-N 2.91Å
92R49.9Very low43.7Very low246 Ų246136.2 Ų136.293%0.92877%0.769SS**  trans6110159.4-70.9-175.5168.8167.8-2.5116.7
93A34.3Very low43.3Very low87 Ų87141.8 Ų141.872%0.71978%0.78SS**  trans-96.4102.3149.300000108.5
94S41Very low43.2Very low105 Ų105141.2 Ų141.273%0.73478%0.777SS**  trans-57.3125.8161.447.20000109.9P96S94-P96 WeakPolarHBondContact O-CD 3.38Å
95W31.1Very low43Very low245 Ų245143.1 Ų143.193%0.92878%0.776SS**  trans-90.3115.7163.1-69.1101000108.9
96P50Low42.1Very low96 Ų96139.2 Ų139.262%0.62377%0.769SS**  trans-95.5128.7156.234.6-24.3000108.5S94S94-P96 WeakPolarHBondContact O-CD 3.38Å
97E30.1Very low40.8Very low173 Ų173140.9 Ų140.981%0.80878%0.777SS**  trans-177.496.3144.9-135.967.7106.800107.2
98T34.1Very low39.2Very low111 Ų111140 Ų14068%0.68177%0.773SS**  90.690.790.8-60.40000111
99E37.8Very low37.9Very low154 Ų154143.9 Ų143.972%0.7278%0.782SS**  trans-78123.3163.4173.2163.197.500109.1Q101E99-Q101 PolarHBondContact O-N 3.27Å; E99-Q101 PolarHBondContact OE1-NE2 3.39Å
100P37.2Very low36.9Very low118 Ų118141.5 Ų141.577%0.76677%0.773SS**  trans-86.799.7166.230.7-26.9000109.7
101Q37.1Very low37.2Very low135 Ų135139.7 Ų139.763%0.63176%0.764SS**  trans-69.1133.3159-78.1-75.5-11.800109.8E99E99-Q101 PolarHBondContact O-N 3.27Å; E99-Q101 PolarHBondContact OE1-NE2 3.39Å
102P38.5Very low36.7Very low115 Ų115146.1 Ų146.175%0.74777%0.77SS**  trans-90.596154.930-21.8000109R104P102-R104 PolarHBondContact O-N 2.98Å
103E33.1Very low35.9Very low176 Ų176141.1 Ų141.182%0.82277%0.766SS**PPolyproline II helixtrans-60128.5162.1-64.1-162.696.900109.8
104R35.5Very low35.7Very low241 Ų241140.5 Ų140.591%0.90977%0.768SS**PPolyproline II helixtrans-100.8117.4157.9-79.2-172.9173.6171.7-1107.7P102 S106P102-R104 PolarHBondContact O-N 2.98Å; R104-S106 PolarHBondContact O-N 3.46Å
105P38.2Very low35.2Very low119 Ų119142.8 Ų142.877%0.77377%0.772SS**PPolyproline II helixtrans-70.1121.7170.6-16.730.5000110.4
106S30.8Very low35.2Very low103 Ų103139.5 Ų139.572%0.7277%0.767SS**PPolyproline II helixtrans-60.9139158.8-177.70000110.1R104R104-S106 PolarHBondContact O-N 3.46Å
107V34.4Very low34.8Very low144 Ų144140.8 Ų140.887%0.87377%0.773SS**  trans-128118.6156.3-1280000108.3
108S31.8Very low35.6Very low100 Ų100138.5 Ų138.570%0.69977%0.773SS**  trans-80.2145.7179.2-59.40000112.2
109H31.6Very low35.7Very low192 Ų192138.7 Ų138.789%0.88977%0.774SS**  trans13.6145.8142.4-82.9-98.2000119.1
110A31.6Very low35.4Very low80 Ų80136.9 Ų136.966%0.66177%0.773SS**  cis175.9-154.47.900000105.8
111P50.3Low35.2Very low107 Ų107137.1 Ų137.170%0.69577%0.773SS**  -116.4-160.8-60.534.7-15.4000111.7
112R33Very low35Very low221 Ų221136.5 Ų136.583%0.83478%0.778SS**  trans143.7107149.6-71.4-6115582.93.6108.8
113V32.4Very low34.6Very low142 Ų142137.2 Ų137.286%0.86178%0.78SS**  70.3118.979.1174.10000114.8
114G30.6Very low34.5Very low73 Ų73131.8 Ų131.875%0.75377%0.772SS**  trans80.2147.7160.100000115.3
115D30.2Very low34.3Very low154 Ų154127.8 Ų127.882%0.82477%0.774SS**  cis-168.5-179.6-9.8-163.2-94000105
116E32Very low33.9Very low175 Ų175125.2 Ų125.282%0.81877%0.769SS**  trans85.398.1166.8-64.3-168.1107.400119.9
117V40.7Very low34.2Very low124 Ų124127.5 Ų127.575%0.75277%0.773SS**  trans-67.1158.1145.4-146.60000109
118P47.9Very low34.2Very low125 Ų125125.5 Ų125.581%0.81276%0.761SS**  -138.2144.410532.8-18.4000115.3
119V35.5Very low34.4Very low114 Ų114127.2 Ų127.269%0.69176%0.762SS**  trans-58146.5158.5162.40000110.4
120T31.3Very low34.4Very low116 Ų116126.2 Ų126.271%0.71276%0.758SS**  173.5119.9120.142.40000111.9
121T32.5Very low34.2Very low123 Ų123125.9 Ų125.976%0.75576%0.762SS**  52.8141.1129.466.20000119
122V32.6Very low33.2Very low122 Ų122124.7 Ų124.774%0.73977%0.769SS**  cis-176.715431.396.20000108.9
123T31.7Very low33.3Very low130 Ų130123.2 Ų123.280%0.79877%0.771SS**  trans38.6136.3145.6-7.80000120.2
124G30.1Very low33.3Very low63 Ų63120.8 Ų120.865%0.64977%0.766SS**  cis129.1132.518.200000110.3
125V31.7Very low33.4Very low157 Ų157124.3 Ų124.395%0.95277%0.768SS**  trans80.6131.3149.2-177.50000121.7
126G29.8Very low33.6Very low65 Ų65120.3 Ų120.367%0.6776%0.757SS**  trans134.988.8156.400000113.1
127D35.6Very low33.7Very low150 Ų150118.2 Ų118.280%0.80276%0.756SS**  48.8137.980.7-92-60000113.8
128V35.6Very low33.2Very low103 Ų103121.1 Ų121.162%0.62476%0.761SS**  cis-176.6167.81.175.50000108.7
129L34.9Very low32.8Very low135 Ų135118.1 Ų118.171%0.70775%0.747SS**  trans74.9147.3155.5-64.4173.2000119.3
130Q33.2Very low32.8Very low172 Ų172117.1 Ų117.180%0.80475%0.75SS**  cis176.2155.9-1.8172.2166.151.700110.1
131G25.9Very low32.9Very low73 Ų73122 Ų12275%0.75376%0.756SS**  trans96.3114.8157.300000114.4
132G30.3Very low32.9Very low82 Ų82120.7 Ų120.785%0.84575%0.752SS**  95.5137.660.500000107.3
133E33.7Very low32.9Very low189 Ų189124 Ų12488%0.88375%0.751SS**  cis-175.8163.412.4174.985.195.900104.3
134A32.9Very low33.2Very low91 Ų91124.7 Ų124.775%0.75276%0.755SS**  trans80.7141.4158.800000118.3
135D33.8Very low33.3Very low147 Ų147127.8 Ų127.879%0.78675%0.753SS**  cis-175.7155.1-8.4173.7-127.2000106.8
136A34.1Very low33.3Very low71 Ų71131.3 Ų131.359%0.58775%0.749SS**  trans59.1137154.300000118.9
137T32.8Very low33.9Very low131 Ų131132.9 Ų132.980%0.80475%0.747SS**  cis-162.2145.81439.40000103.2
138E31.9Very low33.9Very low185 Ų185136.4 Ų136.486%0.86475%0.749SS**  -172.8144.171.4-148.5-142.2157.700109.3
139A39.8Very low33.8Very low62 Ų62140.5 Ų140.551%0.51276%0.762SS.*  trans-85.3148.5178.200000110.8
140A34.4Very low33.6Very low92 Ų92138.4 Ų138.476%0.7676%0.764SS**  trans-157.186134.500000113.2
141W32.6Very low33.5Very low218 Ų218135.1 Ų135.183%0.82677%0.766SS**  trans53.9101.7134.8-49.7105.2000118.8
142S33.3Very low33.9Very low97 Ų97136.7 Ų136.768%0.67877%0.772SS**  88.311081.4-78.50000112.6
143R33.3Very low33.8Very low190 Ų190136.6 Ų136.672%0.71777%0.771SS**  7011776.8-178.8178.1-77.7-113.9-3.3113.5E145R143-E145 IonicContact CZ-OE1 3.92Å; R143-E145 IonicContact NH1-OE1 2.79Å; R143-E145 PolarHBondContact NH1-OE1 3.43Å; R143-E145 IonicContact NH1-OE2 3.54Å
144V37Very low33.7Very low146 Ų146137.2 Ų137.289%0.88577%0.774SS**  -138132.2129.392.20000110.1
145E32.8Very low33.5Very low128 Ų128137.9 Ų137.960%0.59878%0.78SS**  trans-75143.4173.6-77.6-176.7142.700110.9R143R143-E145 IonicContact CZ-OE1 3.92Å; R143-E145 IonicContact NH1-OE1 2.79Å; R143-E145 PolarHBondContact NH1-OE1 3.43Å; R143-E145 IonicContact NH1-OE2 3.54Å
146R31.2Very low33.5Very low231 Ų231140.6 Ų140.687%0.87279%0.787SS**  62.7159.183.7-117.4-166.1-179.4149.23.6113.3
147P43.2Very low33.3Very low98 Ų98140.7 Ų140.764%0.63680%0.795SS**  cis-153.6-1779.542-19.1000120.1
148R34.3Very low34.1Very low224 Ų224140.7 Ų140.785%0.84580%0.798SS**  trans74121148.6-84.6-177.8160127.1-3.4119.6
149Q33.7Very low34.1Very low188 Ų188136.9 Ų136.988%0.87980%0.798SS**  77.612256-74.1-13780.700116.3
150A30.4Very low33.6Very low92 Ų92138 Ų13876%0.7682%0.816SS**  trans163.2116.9133.700000109.1
151A32.7Very low33.2Very low103 Ų103137.1 Ų137.185%0.85182%0.815SS**  71.3143.684.900000112.6
152A33.5Very low33.2Very low106 Ų106139.8 Ų139.888%0.87683%0.825SS**  cis-172.3171.8-3.900000106.5
153G28.4Very low33Very low80 Ų80139 Ų13983%0.82583%0.832SS**  trans168.295.2164.400000114.9
154E31Very low32.9Very low202 Ų202136.2 Ų136.294%0.94484%0.836SS**  trans-89.1165174.1-59.4-179.2119.500112.7
155A30.3Very low32.6Very low105 Ų105138.4 Ų138.487%0.86883%0.834SS**  trans-165.9144.6143.200000112.7
156E32.3Very low33.6Very low203 Ų203136.9 Ų136.995%0.94984%0.835SS**  trans-81.8175.6-161.4-68.2177.487.900119.5
157G29.6Very low33.6Very low73 Ų73135.2 Ų135.275%0.75384%0.838SS**  trans-76.4-141.1179.200000117
158P51.1Low32.9Very low131 Ų131134.2 Ų134.285%0.85185%0.845SS**  cis-143-169.96.440.8-18.4000117.5
159A31.1Very low33.3Very low105 Ų105129.1 Ų129.187%0.86884%0.843SS**  trans102.2133.7142.800000124.6
160G28.4Very low33.5Very low86 Ų86128.5 Ų128.589%0.88785%0.845SS**  trans107.5131.4157.500000115.6
161G27.8Very low33.7Very low73 Ų73128 Ų12875%0.75384%0.842SS**  cis143.61148.400000110.6
162W31.6Very low34Very low274 Ų274128 Ų128100%1.03884%0.841SS**  trans63.7140.3160.2-63.1-21.5000124.5
163G28.7Very low34.7Very low80 Ų80134.6 Ų134.683%0.82584%0.843SS**  trans163.7106.2159.200000113.8
164V31.6Very low35.7Very low133 Ų133142.1 Ų142.181%0.80685%0.847SS**  trans-116138.3-178.7165.70000108.5
165F31Very low37Very low191 Ų191138.5 Ų138.584%0.83884%0.841SS**  trans86.5161.7156.8-101.1-112000121.1
166P54.8Low38.7Very low96 Ų96138.3 Ų138.362%0.62383%0.832SS**  -124.2-161.4-102.544.4-25.7000111.4
167E30.4Very low39.7Very low197 Ų197132.7 Ų132.792%0.92183%0.828SS**  trans145.7133.5139.6-161.6147121.800113.1
168G29.3Very low41.3Very low76 Ų76133.3 Ų133.378%0.78482%0.82SS**  trans14638.5169.200000117.8
169S40.9Very low41.2Very low117 Ų117133.1 Ų133.182%0.81882%0.819SS**  trans-96.5103.8168.347.10000111.6
170L38Very low42.1Very low175 Ų175136.8 Ų136.892%0.91682%0.823SS**  trans-155.7133.3162-78.9173.4000106.8
171A36.2Very low42.8Very low83 Ų83136.4 Ų136.469%0.68682%0.819SS**  cis-156.6137.93.900000107.9R173A171-R173 PolarHBondContact O-N 3.01Å
172A37.4Very low43.4Very low101 Ų101136.3 Ų136.384%0.83582%0.818SS**PPolyproline II helixtrans-60.4122.7166.800000109.5R174A172-R174 PolarHBondContact O-N 2.9Å
173R48.5Very low44.1Very low246 Ų246132.3 Ų132.393%0.92881%0.811SS**PPolyproline II helixtrans-74.3116.2171-74.7-154175.3-100.71.2109.5A171A171-R173 PolarHBondContact O-N 3.01Å
174R50.5Low44.9Very low238 Ų238136.1 Ų136.190%0.89881%0.812SS**PPolyproline II helixtrans-71.9135.6168.2-82.2-174162.8-105.80.1110.2A172A172-R174 PolarHBondContact O-N 2.9Å
175P57Low45.7Very low126 Ų126135.2 Ų135.282%0.81881%0.809SS**PPolyproline II helixtrans-71140.9170.5-13.128000111.1
176C66.4Low46.4Very low101 Ų101132.4 Ų132.468%0.68281%0.81SS**PPolyproline II helixtrans-76129.5173.469.20000110.7C178C176-C178 PolarHBondContact O-N 2.86Å; C176-C178 VanDerWaalsContact O-N 3.15Å
177G53.3Low45.6Very low84 Ų84131 Ų13187%0.86681%0.813SS**  trans-84.570.2177.600000112.6
178C63Low46.3Very low87 Ų87128.5 Ų128.559%0.58881%0.811SS**  trans-91.2132.3168.1-65.20000109.3C176 L180C176-C178 PolarHBondContact O-N 2.86Å; C176-C178 VanDerWaalsContact O-N 3.15Å; C178-L180 PolarHBondContact O-N 3.24Å
179P49.9Very low47.1Very low126 Ų126130.3 Ų130.382%0.81881%0.809SS**  trans-65.6128.8177.926.7-31.9000109.6G181P179-G181 PolarHBondContact O-N 2.83Å
180L48.3Very low46.8Very low183 Ų183129.3 Ų129.396%0.95881%0.808SS**  trans-63.5102168.5-72.7162.4000107.4C178 G182C178-L180 PolarHBondContact O-N 3.24Å; L180-G182 PolarHBondContact O-N 3.15Å
181G43.6Very low46.9Very low77 Ų77125.4 Ų125.479%0.79480%0.801SS**PPolyproline II helixtrans-70.1124.6179.200000110.4P179P179-G181 PolarHBondContact O-N 2.83Å
182G40.5Very low47.3Very low71 Ų71127.6 Ų127.673%0.73281%0.806SS**PPolyproline II helixtrans-64.3157.6-175.800000114.9L180L180-G182 PolarHBondContact O-N 3.15Å
183E47.3Very low47.7Very low190 Ų190129 Ų12989%0.88881%0.807SS**PPolyproline II helixtrans-52.1136.2165.449.7-172.574.500113
184D44.5Very low47.6Very low160 Ų160128.4 Ų128.486%0.85680%0.804SS**  trans-146.8148.5160.9-93.8-46.9000111.1
185P48.9Very low47.4Very low114 Ų114124.1 Ų124.174%0.7481%0.805SS**  trans-86.6176.4-160.137.2-38.5000115
186P45.9Very low46.8Very low133 Ų133122.4 Ų122.486%0.86480%0.802SS**  trans-90.7141.5-155.935.3-31.7000114.3
187G37.6Very low46.2Very low66 Ų66122.2 Ų122.268%0.6880%0.8SS**  trans164.282.7166.500000116.9
188T45Very low46Very low144 Ų144124.8 Ų124.888%0.88380%0.803SS**  trans62.8163.3147.830000119.6
189P46.2Very low45.4Very low114 Ų114125.6 Ų125.674%0.7481%0.809SS**  -119.7169.6-103.939.5-23.9000115.6
190A35.1Very low45.3Very low97 Ų97123.4 Ų123.480%0.80280%0.801SS**  trans99.5115.115300000119.3
191A40.4Very low45.1Very low92 Ų92120.9 Ų120.976%0.7680%0.796SS**  74.887.4129.700000119.3
192T44.1Very low45Very low130 Ų130128.6 Ų128.680%0.79880%0.801SS**  -163.7125.412739.10000109.3R194T192-R194 PolarHBondContact O-N 3.29Å
193P45.2Very low45Very low131 Ų131130.7 Ų130.785%0.85180%0.802SS**  trans-80114.1172.629.2-28.4000109.8
194R46.3Very low44.7Very low232 Ų232126.6 Ų126.688%0.87580%0.8SS**  trans-63.3131.7166.5-61.3172.294170.85.7108.3T192 A196T192-R194 PolarHBondContact O-N 3.29Å; R194-A196 PolarHBondContact O-N 2.78Å
195T47.1Very low44.7Very low149 Ų149127.6 Ų127.691%0.91480%0.8SS**  trans-53.2102.2176.8-41.60000110.6
196A44.6Very low44.5Very low90 Ų90130.4 Ų130.474%0.74481%0.808SS**  trans-84130.3-179.700000110.7R194R194-A196 PolarHBondContact O-N 2.78Å
197C52.4Low44.8Very low97 Ų97132.7 Ų132.766%0.65581%0.808SS**  trans-57.3145.4179.7-167.70000112.3C199C197-C199 PolarHBondContact O-N 3.18Å
198C51.1Low45.4Very low137 Ų137135 Ų13593%0.92681%0.81SS**THydrogen-bonded Turntrans-68.927.7-172.4-56.80000116.2
199C49Very low45.8Very low105 Ų105134.3 Ų134.371%0.70981%0.809SS**THydrogen-bonded Turntrans-115.310.8-173.6-62.80000115.1C197C197-C199 PolarHBondContact O-N 3.18Å
200A48.6Very low46Very low80 Ų80133 Ų13366%0.66181%0.808SS**SBendtrans-110.8129.7174.100000111.5R202A200-R202 PolarHBondContact O-N 3.31Å
201P43.3Very low46.8Very low129 Ų129134.1 Ų134.184%0.83881%0.806SS**PPolyproline II helixtrans-64.4130.7166.7-13.527.3000109.8
202R42.5Very low47.5Very low239 Ų239135.6 Ų135.690%0.90281%0.808SS**PPolyproline II helixtrans-73.2144.5172.4-75-172.8154-167.5-7.1110.7A200A200-R202 PolarHBondContact O-N 3.31Å
203P39.7Very low47.3Very low116 Ų116134 Ų13475%0.75381%0.808SS**PPolyproline II helixtrans-75.1134.3173.631.6-30.9000109.6
204A41.1Very low47.3Very low103 Ų103134.5 Ų134.585%0.85181%0.809SS**PPolyproline II helixtrans-87.2124.7164.500000107.7
205E44.9Very low46.9Very low182 Ų182128.9 Ų128.985%0.8580%0.804SS**PPolyproline II helixtrans-76.2156.8176.9-51.3-154.1127.600110.9E207E205-E207 PolarHBondContact O-N 2.95Å
206D44.4Very low47Very low172 Ų172128 Ų12892%0.9280%0.8SS**  trans-40.8119.6-177.2-102.8-82.7000115.6
207E51.6Low46.9Very low181 Ų181135.6 Ų135.685%0.84681%0.81SS**  trans-129.6134.2158.7-169.1169.490.200108.2E205E205-E207 PolarHBondContact O-N 2.95Å
208P50.3Low46.6Very low114 Ų114140.7 Ų140.774%0.7482%0.821SS**PPolyproline II helixtrans-69.5145.9-164.126.4-35.1000113.2A210P208-A210 PolarHBondContact O-N 3Å
209P54.6Low46.2Very low131 Ų131145.9 Ų145.985%0.85182%0.821SS**PPolyproline II helixtrans-71.8124.7-177.427.4-32.9000112.3
210A49.9Very low45.6Very low87 Ų87144.3 Ų144.372%0.71982%0.823SS**PPolyproline II helixtrans-62150.4165.300000111.6P208P208-A210 PolarHBondContact O-N 3Å
211P51.3Low44.9Very low119 Ų119145.6 Ų145.677%0.77383%0.833SS**PPolyproline II helixtrans-68.4147.8-172.928-35.4000112.9
212P55.1Low44.7Very low123 Ų123144.8 Ų144.880%0.79984%0.837SS**PPolyproline II helixtrans-68.2138.6-178.827.1-33.5000112.3V214P212-V214 PolarHBondContact O-N 2.87Å
213A40.3Very low44.4Very low96 Ų96136.7 Ų136.779%0.79383%0.828SS**PPolyproline II helixtrans-56.5122.8178.500000112.5C215A213-C215 PolarHBondContact O-N 3.32Å
214V44.9Very low44.3Very low143 Ų143138.7 Ų138.787%0.86784%0.838SS**PPolyproline II helixtrans-73.8117.2170.4-179.20000108.6P212P212-V214 PolarHBondContact O-N 2.87Å
215C38.7Very low44Very low113 Ų113137.4 Ų137.476%0.76483%0.834SS**PPolyproline II helixtrans-65.2145.3172.7-61.90000111.6A213A213-C215 PolarHBondContact O-N 3.32Å
216P49.4Very low43.5Very low130 Ų130132.6 Ų132.684%0.84483%0.834SS**PPolyproline II helixtrans-83.5123.5-162.831.9-33000112.9
217R42.1Very low42.9Very low251 Ų251128 Ų12895%0.94783%0.827SS**PPolyproline II helixtrans-80.8129.2153.6-94.3-177.3175.8-172.9-0.3109
218K45.9Very low42.9Very low204 Ų204125.5 Ų125.589%0.88783%0.827SS**PPolyproline II helixtrans-87.9116.4-179.9-175.5179.4-178.1-174.40112.2
219R43Very low42.3Very low246 Ų246125 Ų12593%0.92883%0.832SS**  trans167.8130.2148.7-109.9-175.4-78.4-104.90.5106.9
220G35.2Very low41.4Very low72 Ų72122.6 Ų122.674%0.74283%0.831SS**  cis172.7165.10.600000108.6
221A35.4Very low40.7Very low107 Ų107124.7 Ų124.788%0.88484%0.839SS**  trans75.2132.9158.500000121.9
222A38.1Very low40.4Very low112 Ų112125.2 Ų125.293%0.92684%0.842SS**  trans71.1129.3165.300000117
223G35.4Very low39.6Very low68 Ų68123.7 Ų123.770%0.70184%0.84SS**  cis169.5160.22.600000108.7
224V38Very low39.8Very low158 Ų158125.1 Ų125.196%0.95884%0.841SS**  trans64.7127.4164.6166.20000116
225G35Very low39.1Very low76 Ų76121.8 Ų121.878%0.78484%0.836SS**  cis166.5159.27.700000108
226G34.4Very low38.9Very low81 Ų81122.2 Ų122.284%0.83584%0.841SS**  trans127.687.5165.800000115.7
227G32.1Very low38.4Very low76 Ų76122.2 Ų122.278%0.78484%0.838SS**  trans-77.1-161.4154.800000110.9
228P50.7Low38.4Very low129 Ų129115.7 Ų115.784%0.83883%0.829SS**  cis-136.7170.112.639.4-21.2000115.3
229A39.6Very low37.9Very low103 Ų103114.3 Ų114.385%0.85183%0.83SS**  167.2121.1127.500000112.9
230G35.1Very low37.8Very low81 Ų81111.4 Ų111.484%0.83582%0.824SS**  trans102.298.4147.800000118.9
231C35.3Very low38.3Very low130 Ų130116.9 Ų116.988%0.87883%0.827SS**  trans-112.6158.3159.1-62.30000108.4
232P43.8Very low38.7Very low130 Ų130117.5 Ų117.584%0.84482%0.822SS**  -141.7158.172.231-9.6000116.8
233A38.5Very low38.6Very low91 Ų91123.2 Ų123.275%0.75282%0.82SS**  trans-81.7-172.7170.500000111
234P46.1Very low39Very low126 Ų126131.3 Ų131.382%0.81883%0.829SS**  cis-145.7159.53938-15.7000117.9
235G29.7Very low38.8Very low74 Ų74129.6 Ų129.676%0.76382%0.815SS**  113.2129.8120.700000110.5
236S34.1Very low38.8Very low122 Ų122131.8 Ų131.885%0.85381%0.808SS**  cis-165.6151.538.846.70000109.8
237T38.6Very low39.2Very low130 Ų130137.2 Ų137.280%0.79881%0.811SS**  trans-120146.3162.150.30000108.4
238P42.6Very low39.4Very low114 Ų114142.2 Ų142.274%0.7482%0.815SS**  -139.8129.3126.627.5-9.4000111
239L34.3Very low39.2Very low175 Ų175141.5 Ų141.592%0.91681%0.81SS**  70.5146.683.3-76.2170000115.9
240K41.5Very low39.3Very low185 Ų185142.7 Ų142.780%0.80481%0.809SS**  trans-102.2163.5-154-147.4176.8-174.3171.20112
241K46.6Very low39.6Very low186 Ų186144.9 Ų144.981%0.80981%0.811SS**  trans92.1159.4157.6-66.9170.3176.9172.90116.6
242P43.4Very low39.7Very low120 Ų120142.1 Ų142.178%0.77981%0.805SS**  cis-142148.832.733.4-9.1000117.8
243R35.8Very low39.5Very low233 Ų233139.5 Ų139.588%0.87980%0.801SS**  69.3114.782.1-167.9-170.4177.5141.62.9117.6
244R44.3Very low40Very low237 Ų237143.6 Ų143.689%0.89481%0.805SS**  trans176.8116.9133.5-144.9173.3174.5107.20.1109
245N32.4Very low39.8Very low122 Ų122145.8 Ų145.865%0.65281%0.81SS**  65.4130.562.3-152.2-119.8000111.5
246L36.4Very low40.6Very low122 Ų122148.1 Ų148.164%0.63981%0.805SS**  cis-174.3142.624.4-176.464.1000108.3
247E41.1Very low41.3Very low195 Ų195148.2 Ų148.291%0.91180%0.795SS**  trans-176144136-101.5155.481.100109.5
248Q37.4Very low41.7Very low182 Ų182146.1 Ų146.185%0.8579%0.791SS**  trans-93.8173.4-166.2-102.3175.117.200112.4
249P47.4Very low42.2Very low114 Ų114148 Ų14874%0.7479%0.791SS**  trans-87.2172.9-144.638-37.1000115.3
250P40.8Very low43.1Very low128 Ų128146.5 Ų146.583%0.83178%0.779SS**  -130.7155.1122.736.8-26.8000114.2
251S41.5Very low43.8Very low127 Ų127144.9 Ų144.989%0.88878%0.776SS**  trans-54145175.4174.50000115.4
252G38.3Very low44.2Very low72 Ų72143.2 Ų143.274%0.74277%0.771SS**  trans121.5123.6145.500000116.7
253G38.6Very low44.9Very low74 Ų74141.9 Ų141.976%0.76376%0.761SS**  trans83.2144.3172.200000112.6
254E49.7Very low46.2Very low177 Ų177133 Ų13383%0.82774%0.741SS**  cis-165.111216.7-45.9168.3140.800103.8
255D42.1Very low47.5Very low172 Ų172126.7 Ų126.792%0.9273%0.725SS**  trans-16646.1168.1-94.3-40.9000108.2
256D46.3Very low49.5Very low123 Ų123124.6 Ų124.666%0.65872%0.717SS**  trans-118.711.6-179.8-118.8-66000112.7A258D256-A258 VanDerWaalsContact C-N 3.28Å; D256-A258 PolarHBondContact O-N 2.82Å
257D47.3Very low51.2Low124 Ų124121.2 Ų121.266%0.66371%0.707SS**THydrogen-bonded Turntrans-84.11.8177.2-76.8-85.2000113.8M261D257-M261 VanDerWaalsContact O-CE 3.3Å; D257-M261 WeakPolarHBondContact O-CE 3.34Å
258A48.3Very low52.8Low86 Ų86116.5 Ų116.571%0.71169%0.688SS**THydrogen-bonded Turntrans-93.8-17.317500000113.4D256D256-A258 VanDerWaalsContact C-N 3.28Å; D256-A258 PolarHBondContact O-N 2.82Å
259E52.1Low54.6Low155 Ų155112.2 Ų112.272%0.72467%0.67SS**SBendtrans-98.3-7-176.6-64.4-83.7152.100112.8
260E54.2Low55.7Low142 Ų142112 Ų11266%0.66466%0.661SS**SBendtrans-91.8-15.5-178.7-164.5168.4-169.100114.6E262E260-E262 PolarHBondContact O-N 3.22Å
261M55Low57.3Low152 Ų152110.5 Ų110.575%0.74965%0.654SS**THydrogen-bonded Turntrans-77.4-2.1-175.5-63.5-169-132.600114.9D257D257-M261 VanDerWaalsContact O-CE 3.3Å; D257-M261 WeakPolarHBondContact O-CE 3.34Å
262E55.3Low58.7Low151 Ų151109.6 Ų109.671%0.70664%0.638SS**THydrogen-bonded Turntrans-108.3-20.4-179.9-153.4152.2-145.300113.2E260 G264 N265 V266E260-E262 PolarHBondContact O-N 3.22Å; E262-G264 PolarHBondContact O-N 2.92Å; E262-N265 PolarHBondContact O-N 3.23Å; E262-V266 PolarHBondContact O-N 2.99Å
263T58.6Low60.1Low92 Ų92112.5 Ų112.556%0.56463%0.631SS**Hα-helixtrans-70.7-31.4176.2-35.20000112.1N265 V266 A267T263-N265 VanDerWaalsContact C-N 3.32Å; T263-N265 PolarHBondContact O-N 3.47Å; T263-V266 PolarHBondContact O-N 2.93Å; T263-A267 VanDerWaalsContact O-CB 3.27Å; T263-A267 WeakPolarHBondContact O-CB 3.44Å; T263-A267 PolarHBondContact O-N 2.82Å
264G63.9Low61.4Low45 Ų45111.6 Ų111.646%0.46462%0.621SS.*Hα-helixtrans-65.3-33.6174.600000113.2E262 N268E262-G264 PolarHBondContact O-N 2.92Å; G264-N268 VanDerWaalsContact O-CB 3.27Å; G264-N268 WeakPolarHBondContact O-CB 3.44Å; G264-N268 PolarHBondContact O-N 3.07Å
265N70.1Confident61.6Low106 Ų106108 Ų10857%0.56762%0.615SS**Hα-helixtrans-73.7-40.4177.5-70.310.5000111.3E262 T263 N268 L269E262-N265 PolarHBondContact O-N 3.23Å; T263-N265 VanDerWaalsContact C-N 3.32Å; T263-N265 PolarHBondContact O-N 3.47Å; N265-N268 PolarHBondContact O-N 3.27Å; N265-L269 WeakPolarHBondContact O-CB 3.33Å; N265-L269 WeakPolarHBondContact O-CD1 3.41Å; N265-L269 VanDerWaalsContact O-CG 3.28Å; N265-L269 WeakPolarHBondContact O-CG 3.17Å; N265-L269 PolarHBondContact O-N 3.38Å
266V74.7Confident62.4Low77 Ų77104.2 Ų104.247%0.46760%0.603SS.*Hα-helixtrans-65.6-42.5173.2179.10000110.7E262 T263 N268 L269 I270E262-V266 PolarHBondContact O-N 2.99Å; T263-V266 PolarHBondContact O-N 2.93Å; V266-N268 PolarHBondContact O-N 3.08Å; V266-L269 PolarHBondContact O-N 3.36Å; V266-I270 HydrophobicContact CG1-CD1 3.81Å; V266-I270 HydrophobicContact CG1-CG1 4.46Å; V266-I270 WeakPolarHBondContact O-CB 3.42Å; V266-I270 WeakPolarHBondContact O-CG1 3.46Å; V266-I270 PolarHBondContact O-N 3.04Å
267A73.6Confident63Low52 Ų52104.2 Ų104.243%0.4360%0.597SS.*Hα-helixtrans-66.5-35.5176.900000113T263 I270 S271T263-A267 VanDerWaalsContact O-CB 3.27Å; T263-A267 WeakPolarHBondContact O-CB 3.44Å; T263-A267 PolarHBondContact O-N 2.82Å; A267-I270 CarbonylContact O-C 3.54Å; A267-I270 PolarHBondContact O-N 2.79Å; A267-S271 PolarHBondContact O-N 3.06Å; A267-S271 PolarHBondContact O-OG 3.01Å
268N74.4Confident63.4Low96 Ų96101.8 Ų101.851%0.51359%0.59SS.*Hα-helixtrans-71.6-37.9174.2-162.826.2000111.5G264 N265 V266 I270 S271 I272G264-N268 VanDerWaalsContact O-CB 3.27Å; G264-N268 WeakPolarHBondContact O-CB 3.44Å; G264-N268 PolarHBondContact O-N 3.07Å; N265-N268 PolarHBondContact O-N 3.27Å; V266-N268 PolarHBondContact O-N 3.08Å; N268-I270 VanDerWaalsContact C-N 3.35Å; N268-S271 CarbonylContact O-C 3.58Å; N268-S271 PolarHBondContact O-N 3.16Å; N268-S271 VanDerWaalsContact O-N 3.12Å; N268-I272 WeakPolarHBondContact O-CB 3.28Å; N268-I272 WeakPolarHBondContact O-CD1 2.9Å; N268-I272 WeakPolarHBondContact O-CG1 3.38Å; N268-I272 PolarHBondContact O-N 2.87Å
269L75.4Confident63.5Low92 Ų92100.3 Ų100.348%0.48258%0.582SS.*Hα-helixtrans-62.6-41.2169.9-76.5163.5000111.5N265 V266 S271 I272 F273N265-L269 WeakPolarHBondContact O-CB 3.33Å; N265-L269 WeakPolarHBondContact O-CD1 3.41Å; N265-L269 VanDerWaalsContact O-CG 3.28Å; N265-L269 WeakPolarHBondContact O-CG 3.17Å; N265-L269 PolarHBondContact O-N 3.38Å; V266-L269 PolarHBondContact O-N 3.36Å; L269-S271 VanDerWaalsContact C-N 3.29Å; L269-S271 PolarHBondContact O-N 2.69Å; L269-I272 PolarHBondContact O-N 3.33Å; L269-F273 HydrophobicContact CD2-CD2 4.21Å; L269-F273 HydrophobicContact CD2-CE2 3.93Å; L269-F273 WeakPolarHBondContact O-CB 3.27Å; L269-F273 WeakPolarHBondContact O-CD2 3.2Å; L269-F273 PolarHBondContact O-N 2.79Å
270I70.7Confident63.6Low109 Ų10999.2 Ų99.256%0.55958%0.581SS**Hα-helixtrans-66.8-30.1172.3-65.1164000110.7V266 A267 N268 G274V266-I270 HydrophobicContact CG1-CD1 3.81Å; V266-I270 HydrophobicContact CG1-CG1 4.46Å; V266-I270 WeakPolarHBondContact O-CB 3.42Å; V266-I270 WeakPolarHBondContact O-CG1 3.46Å; V266-I270 PolarHBondContact O-N 3.04Å; A267-I270 CarbonylContact O-C 3.54Å; A267-I270 PolarHBondContact O-N 2.79Å; N268-I270 VanDerWaalsContact C-N 3.35Å; I270-G274 WeakPolarHBondContact O-CA 3.46Å; I270-G274 PolarHBondContact O-N 2.8Å
271S74.4Confident63.4Low96 Ų9699.1 Ų99.167%0.67158%0.584SS**Hα-helixtrans-73.8-38.3171.7-75.60000113A267 N268 L269A267-S271 PolarHBondContact O-N 3.06Å; A267-S271 PolarHBondContact O-OG 3.01Å; N268-S271 CarbonylContact O-C 3.58Å; N268-S271 PolarHBondContact O-N 3.16Å; N268-S271 VanDerWaalsContact O-N 3.12Å; L269-S271 VanDerWaalsContact C-N 3.29Å; L269-S271 PolarHBondContact O-N 2.69Å
272I70.6Confident63Low108 Ų108100.7 Ų100.755%0.55458%0.582SS**Hα-helixtrans-71.5-33.6179.8-67.1163.3000111N268 L269N268-I272 WeakPolarHBondContact O-CB 3.28Å; N268-I272 WeakPolarHBondContact O-CD1 2.9Å; N268-I272 WeakPolarHBondContact O-CG1 3.38Å; N268-I272 PolarHBondContact O-N 2.87Å; L269-I272 PolarHBondContact O-N 3.33Å
273F67.2Low62.5Low134 Ų134103 Ų10359%0.58859%0.589SS**Hα-helixtrans-112.9-14.9-176.5-67.5-76.9000115.3L269 S275 S276L269-F273 HydrophobicContact CD2-CD2 4.21Å; L269-F273 HydrophobicContact CD2-CE2 3.93Å; L269-F273 WeakPolarHBondContact O-CB 3.27Å; L269-F273 WeakPolarHBondContact O-CD2 3.2Å; L269-F273 PolarHBondContact O-N 2.79Å; F273-S275 PolarHBondContact O-N 3.47Å; F273-S276 PolarHBondContact O-N 3.12Å; F273-S276 VanDerWaalsContact O-N 3.16Å
274G65Low61.8Low55 Ų55103.4 Ų103.457%0.56760%0.597SS**THydrogen-bonded Turntrans-79.722-165.700000117I270I270-G274 WeakPolarHBondContact O-CA 3.46Å; I270-G274 PolarHBondContact O-N 2.8Å
275S55.4Low61.2Low101 Ų101107.4 Ų107.471%0.70661%0.614SS**THydrogen-bonded Turntrans-126.7-13.7161.368.20000113.6F273F273-S275 PolarHBondContact O-N 3.47Å
276S58.8Low59.6Low93 Ų93106.1 Ų106.165%0.6563%0.626SS**THydrogen-bonded Turntrans-101.9-7.6-169.2-68.90000115.2F273F273-S276 PolarHBondContact O-N 3.12Å; F273-S276 VanDerWaalsContact O-N 3.16Å
277F57.3Low58Low123 Ų123106.3 Ų106.354%0.53964%0.644SS.*SBendtrans-96.4-20.9177-150.7-101.2000114.3G279 L280 L281F277-G279 PolarHBondContact O-N 2.94Å; F277-L280 HydrophobicContact CD2-CD1 3.89Å; F277-L280 HydrophobicContact CE2-CB 4.5Å; F277-L280 HydrophobicContact CE2-CD1 3.87Å; F277-L280 PolarHBondContact O-N 3.32Å; F277-L281 HydrophobicContact CD1-CD1 3.84Å; F277-L281 HydrophobicContact CD1-CG 4.21Å; F277-L281 HydrophobicContact CE1-CD1 3.61Å; F277-L281 HydrophobicContact CE1-CD2 4.46Å; F277-L281 HydrophobicContact CE1-CG 3.79Å
278S56.4Low56.3Low73 Ų73107.5 Ų107.551%0.5166%0.661SS.*THydrogen-bonded Turntrans-67-7.6178.5-70.20000114R282S278-R282 WeakPolarHBondContact O-CD 3.47Å; S278-R282 WeakPolarHBondContact O-CG 3.41Å; S278-R282 PolarHBondContact O-NE 3.48Å; S278-R282 VanDerWaalsContact O-NE 3.14Å; S278-R282 PolarHBondContact O-NH1 2.92Å
279G50.1Low54.4Low54 Ų54113.4 Ų113.456%0.55768%0.676SS**THydrogen-bonded Turntrans-91.9-18171.100000114.8F277F277-G279 PolarHBondContact O-N 2.94Å
280L54.1Low52.8Low132 Ų132116.8 Ų116.869%0.69169%0.689SS**THydrogen-bonded Turntrans-89.7-22.1-176-75.5165.4000113.2F277F277-L280 HydrophobicContact CD2-CD1 3.89Å; F277-L280 HydrophobicContact CE2-CB 4.5Å; F277-L280 HydrophobicContact CE2-CD1 3.87Å; F277-L280 PolarHBondContact O-N 3.32Å
281L50.7Low51.2Low141 Ų141120.5 Ų120.574%0.73870%0.704SS**SBendtrans-98.1-2.6179.4-73171.7000114.6F277F277-L281 HydrophobicContact CD1-CD1 3.84Å; F277-L281 HydrophobicContact CD1-CG 4.21Å; F277-L281 HydrophobicContact CE1-CD1 3.61Å; F277-L281 HydrophobicContact CE1-CD2 4.46Å; F277-L281 HydrophobicContact CE1-CG 3.79Å
282R46.3Very low49.6Very low184 Ų184123.9 Ų123.969%0.69471%0.71SS**  trans-110.178.1172.616.5-173.3-120.1-123.90.5109.9S278S278-R282 WeakPolarHBondContact O-CD 3.47Å; S278-R282 WeakPolarHBondContact O-CG 3.41Å; S278-R282 PolarHBondContact O-NE 3.48Å; S278-R282 VanDerWaalsContact O-NE 3.14Å; S278-R282 PolarHBondContact O-NH1 2.92Å
283K44.8Very low48.1Very low199 Ų199127.5 Ų127.587%0.86572%0.724SS**  trans-83.992.6146.7-172.589.486.3-152.80107
284S44.4Very low46.5Very low102 Ų102124.5 Ų124.571%0.71373%0.731SS**  trans-125.5132.7147.7-65.60000107.2
285P50.4Low45.2Very low129 Ų129130.2 Ų130.284%0.83874%0.743SS**  trans-68.9147.9164.233.4-30.5000107.7
286G37.3Very low44.5Very low78 Ų78133.3 Ų133.380%0.80475%0.746SS**  trans113.684.2168.400000113.3
287G39.8Very low43.4Very low82 Ų82134.2 Ų134.285%0.84575%0.752SS**  trans-79132.3159.500000110.4
288G37.8Very low42.4Very low77 Ų77131.7 Ų131.779%0.79476%0.761SS**  trans35.5120.314700000120.5
289R35.6Very low42Very low220 Ų220133.9 Ų133.983%0.8377%0.774SS**  163.3126.7107-176.9168.8167.8-176.6-6.1109.8
290E41.2Very low41.3Very low163 Ų163139.8 Ų139.876%0.76279%0.787SS**  trans-9.4126.8160.5-58.3150.5-131.900117
291E37.5Very low41Very low186 Ų186138 Ų13887%0.86979%0.791SS**  171.1160.5119-88.5170.5-155.600111.7
292E40.2Very low40.5Very low168 Ų168136 Ų13679%0.78580%0.795SS**  trans-50.1155.8-171.8-93.8172131.300119.2
293E38.9Very low40.5Very low183 Ų183136.1 Ų136.186%0.85580%0.803SS**  trans58.1135.1144.4-64.9-172160.500121.6
294G34Very low40.5Very low71 Ų71133 Ų13373%0.73280%0.803SS**  trans129.8106.9152.100000117.2
295E38.7Very low40.4Very low175 Ų175131.3 Ų131.382%0.81880%0.802SS**  trans43.7122.4140.1-75.2172116.300123.5
296E41Very low40.2Very low167 Ų167133.7 Ų133.778%0.7880%0.802SS**  trans54.7149.6130.193.2-177.7-165.100124.8
297S34.1Very low40.6Very low111 Ų111137.7 Ų137.778%0.77680%0.803SS**  trans89.3112.7165.4-69.70000119
298G37.2Very low40.8Very low71 Ų71137.9 Ų137.973%0.73279%0.791SS**  trans-75.9171.5168.200000113.1
299P48Very low41.3Very low118 Ų118139.8 Ų139.877%0.76679%0.79SS**  -153.3-173.8115.429.7-6.1000114.3
300E34.3Very low41.8Very low178 Ų178134.9 Ų134.983%0.83278%0.781SS**  trans112113.4146.5-62.9-74.998.500118.3
301A48.4Very low42.6Very low95 Ų95135.4 Ų135.479%0.78578%0.781SS**  trans-69.2137.4161.800000111
302A39.9Very low43.4Very low98 Ų98130.5 Ų130.581%0.8177%0.765SS**  trans-156.2116.4156.100000109.7
303E46.4Very low44.1Very low188 Ų188127.7 Ų127.788%0.87976%0.759SS**  trans-61.1144.8171.9-69.1-153.7128.400112.1G305E303-G305 PolarHBondContact O-N 3.49Å
304P46.2Very low44.8Very low133 Ų133125.7 Ų125.786%0.86475%0.753SS**  trans-79.7113.917328.8-28.7000111.3
305G40.9Very low45.8Very low67 Ų67131.7 Ų131.769%0.69175%0.754SS**  trans-60.4139.4-178.500000115.5E303 I307E303-G305 PolarHBondContact O-N 3.49Å; G305-I307 PolarHBondContact O-N 2.83Å
306Q47.7Very low46.4Very low178 Ų178129.3 Ų129.383%0.83275%0.747SS**  trans-60.7112.7170.4-176171.3-10.700111.1C308Q306-C308 PolarHBondContact O-N 2.85Å
307I44.6Very low47.2Very low163 Ų163126 Ų12684%0.83673%0.732SS**  trans-74.699.8174.6-2791.2000108.2G305 C309G305-I307 PolarHBondContact O-N 2.83Å; I307-C309 PolarHBondContact O-N 3.42Å
308C45.2Very low48.3Very low85 Ų85125.7 Ų125.757%0.57472%0.722SS**  trans-63.4117175.9-68.30000110Q306 D310Q306-C308 PolarHBondContact O-N 2.85Å; C308-D310 PolarHBondContact O-N 3.3Å
309C47.2Very low49.1Very low117 Ų117126.8 Ų126.879%0.79172%0.716SS**  trans-64.2100.9163.5-62.60000108.3I307 K311I307-C309 PolarHBondContact O-N 3.42Å; C309-K311 PolarHBondContact O-N 3.46Å
310D46.2Very low49.2Very low118 Ų118129.8 Ų129.863%0.63171%0.712SS**  trans-63.8123.9179.4-77.8-46.9000110.1C308 P312C308-D310 PolarHBondContact O-N 3.3Å; D310-P312 HydrophobicContact CB-CG 4.22Å; D310-P312 VanDerWaalsContact O-CD 3.25Å; D310-P312 WeakPolarHBondContact O-CD 3.27Å
311K57.2Low50.2Low174 Ų174124.9 Ų124.976%0.75770%0.698SS**THydrogen-bonded Turntrans-67-10.3177.5-75.888.6166.2176.60117.3C309C309-K311 PolarHBondContact O-N 3.46Å
312P56Low50.4Low83 Ų83125.5 Ų125.554%0.53969%0.692SS.*THydrogen-bonded Turntrans-77.2-22.8-179.628.6-24.3000113.1D310 L314 R315D310-P312 HydrophobicContact CB-CG 4.22Å; D310-P312 VanDerWaalsContact O-CD 3.25Å; D310-P312 WeakPolarHBondContact O-CD 3.27Å; P312-L314 VanDerWaalsContact C-N 3.31Å; P312-L314 PolarHBondContact O-N 3.34Å; P312-R315 PolarHBondContact O-N 3.49Å
313V54Low50.9Low109 Ų109123.7 Ų123.766%0.66168%0.677SS**THydrogen-bonded Turntrans-68.5-30.6-179-176.50000112.3
314L54.1Low51Low141 Ų141120.5 Ų120.574%0.73867%0.665SS**THydrogen-bonded Turntrans-77.7-19.9176.9-75.1164.4000113.1P312P312-L314 VanDerWaalsContact C-N 3.31Å; P312-L314 PolarHBondContact O-N 3.34Å
315R54.2Low51.3Low196 Ų196120.3 Ų120.374%0.7466%0.661SS**G310 helixtrans-73.6-31.2178.3-88.1-86.9-174166-0.4112.4P312 M317 N318P312-R315 PolarHBondContact O-N 3.49Å; R315-M317 VanDerWaalsContact C-N 3.3Å; R315-M317 PolarHBondContact O-N 3.19Å; R315-N318 PolarHBondContact O-ND2 3.14Å; R315-N318 VanDerWaalsContact O-ND2 3.1Å
316D51.9Low51.6Low126 Ų126121.1 Ų121.167%0.67466%0.661SS**G310 helixtrans-83.70.4-177.4-71.8-18.4000114.3N318 P319D316-N318 VanDerWaalsContact C-N 3.34Å; D316-P319 VanDerWaalsContact O-CD 3.22Å; D316-P319 WeakPolarHBondContact O-CD 3.3Å
317M58.2Low51.2Low96 Ų96124.6 Ų124.647%0.47367%0.674SS.*G310 helixtrans-85.5-1.2174.9-72.5-79.791.300114.3R315 W320R315-M317 VanDerWaalsContact C-N 3.3Å; R315-M317 PolarHBondContact O-N 3.19Å; M317-W320 PolarHBondContact O-N 3.42Å
318N56.2Low51.5Low106 Ų106122.7 Ų122.757%0.56767%0.666SS**Hα-helixtrans-58.1-31.8177.9-89.7-64.9000115.7R315 D316 W320R315-N318 PolarHBondContact O-ND2 3.14Å; R315-N318 VanDerWaalsContact O-ND2 3.1Å; D316-N318 VanDerWaalsContact C-N 3.34Å; N318-W320 VanDerWaalsContact C-N 3.32Å; N318-W320 PolarHBondContact O-N 3.23Å
319P55.2Low51.8Low93 Ų93124.7 Ų124.760%0.60467%0.671SS**Hα-helixtrans-70.7-24.4177.5-19.432.6000114.1D316D316-P319 VanDerWaalsContact O-CD 3.22Å; D316-P319 WeakPolarHBondContact O-CD 3.3Å
320W49.8Very low52.1Low181 Ų181125.1 Ų125.169%0.68666%0.664SS**Hα-helixtrans-84-28.7-178.4-83.446.7000112.7M317 N318 I324M317-W320 PolarHBondContact O-N 3.42Å; N318-W320 VanDerWaalsContact C-N 3.32Å; N318-W320 PolarHBondContact O-N 3.23Å; W320-I324 WeakPolarHBondContact O-CD1 2.91Å; W320-I324 WeakPolarHBondContact O-CG1 3.18Å
321S54.3Low52.5Low75 Ų75125.5 Ų125.552%0.52467%0.666SS.*Hα-helixtrans-67.5-36.3177.7-63.70000112.8
322T52.4Low52.2Low109 Ų109122.5 Ų122.567%0.66966%0.66SS**Hα-helixtrans-71.5-35178.3-53.60000112.6I324 V325T322-I324 VanDerWaalsContact C-N 3.3Å; T322-I324 PolarHBondContact O-N 3.32Å; T322-V325 PolarHBondContact O-N 3.41Å
323A50.6Low51.9Low59 Ų59125.1 Ų125.149%0.48867%0.668SS.*Hα-helixtrans-68.4-27.8-179.400000113.4
324I48.8Very low51.8Low122 Ų122126.3 Ų126.363%0.62667%0.669SS**Hα-helixtrans-79.5-22.8-177.7-66.4167.6000112.2W320 T322 A326W320-I324 WeakPolarHBondContact O-CD1 2.91Å; W320-I324 WeakPolarHBondContact O-CG1 3.18Å; T322-I324 VanDerWaalsContact C-N 3.3Å; T322-I324 PolarHBondContact O-N 3.32Å; I324-A326 VanDerWaalsContact C-N 3.3Å
325V52.4Low51.6Low128 Ų128125.2 Ų125.278%0.77666%0.664SS**Hα-helixtrans-79.6-15.8176.4-179.70000111.9T322T322-V325 PolarHBondContact O-N 3.41Å
326A46.6Very low51.4Low85 Ų85119.3 Ų119.370%0.70266%0.657SS**THydrogen-bonded Turntrans-92.20.1-177.700000115I324I324-A326 VanDerWaalsContact C-N 3.3Å
327F40Very low51.3Low251 Ų251118.6 Ų118.6100%1.10166%0.656SS**  trans-118.80177.9-97.3-78.7000111.5

Retrieved 327 of 327 residues in 133 ms (Link to these results)