A0A2I2YIZ4_GORGO Loading...

Cyclic AMP-responsive element-binding protein 5

Binds to the cAMP response element and activates transcription.

AlphaFold DB , UniProt , Accession A0A2I2YIZ4, Species GORGO (Gorilla gorilla gorilla, Western lowland gorilla), Gene CREB5, Length 508 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
1M48.9Very low49Very low221 Ų221143.5 Ų143.5100%1.08970%0.696SS**  0-48.90-69.4-169.8-89.200112.5Y3 E4M1-Y3 PolarHBondContact O-N 3.25Å; M1-E4 PolarHBondContact O-N 3.38Å
2I53.5Low49.4Very low137 Ų137143.5 Ų143.570%0.70369%0.694SS**Hα-helixtrans-53.9-26.7-174-56.8171.9000115.6
3Y45.6Very low50.3Low211 Ų211141.5 Ų141.583%0.82768%0.683SS**Hα-helixtrans-81.1-15-177.3-83.1-80000116.4M1M1-Y3 PolarHBondContact O-N 3.25Å
4E48.4Very low52Low123 Ų123139.2 Ų139.258%0.57566%0.663SS**Hα-helixtrans-87-32.7176.2-74.2-59.2140.200112.2M1 S6 K7M1-E4 PolarHBondContact O-N 3.38Å; E4-S6 VanDerWaalsContact C-N 3.27Å; E4-S6 PolarHBondContact O-N 3.47Å; E4-K7 PolarHBondContact O-N 2.99Å
5E45Very low54.1Low143 Ų143135.7 Ų135.767%0.66866%0.657SS**Hα-helixtrans-60.1-36.4-178.1-164.4164.4-15400112.2K7 M8E5-K7 VanDerWaalsContact C-N 3.29Å; E5-K7 PolarHBondContact O-N 3.09Å; E5-M8 PolarHBondContact O-N 3.36Å
6S49.1Very low56.2Low86 Ų86131.7 Ų131.760%0.60164%0.635SS**Hα-helixtrans-67.4-21.1175.4-550000114.6E4E4-S6 VanDerWaalsContact C-N 3.27Å; E4-S6 PolarHBondContact O-N 3.47Å
7K47.3Very low58.1Low147 Ų147127.1 Ų127.164%0.63962%0.617SS**Hα-helixtrans-80.2-39.6177.1-90.6-177.6176.41730112.5E4 E5 N9 L10E4-K7 PolarHBondContact O-N 2.99Å; E5-K7 VanDerWaalsContact C-N 3.29Å; E5-K7 PolarHBondContact O-N 3.09Å; K7-N9 PolarHBondContact O-N 3.47Å; K7-L10 PolarHBondContact O-N 2.88Å
8M47.3Very low59.9Low136 Ų136120.4 Ų120.467%0.6759%0.585SS**Hα-helixtrans-70.6-13.7-178.4-63.5-161.7-64.700113.6E5 Q12E5-M8 PolarHBondContact O-N 3.36Å; M8-Q12 PolarHBondContact O-NE2 3.37Å
9N47.4Very low61.3Low103 Ų103118.8 Ų118.855%0.55159%0.588SS**Hα-helixtrans-84.9-36.1178.6-155.2-29.4000112.6K7 E11 Q12 E13K7-N9 PolarHBondContact O-N 3.47Å; N9-E11 PolarHBondContact O-N 3.44Å; N9-Q12 WeakPolarHBondContact O-CA 3.33Å; N9-Q12 WeakPolarHBondContact O-CB 3.41Å; N9-Q12 PolarHBondContact O-N 2.96Å; N9-E13 PolarHBondContact O-N 2.91Å
10L54.4Low62.5Low110 Ų110114.2 Ų114.258%0.57657%0.569SS**Hα-helixtrans-67.3-21.6-174.4-158.873000114K7K7-L10 PolarHBondContact O-N 2.88Å
11E52.3Low63.6Low162 Ų162115.3 Ų115.376%0.75758%0.584SS**THydrogen-bonded Turntrans-81.1-22.1171.1-63.6-162.4141.500113.1N9N9-E11 PolarHBondContact O-N 3.44Å
12Q53.5Low65.2Low143 Ų143109.2 Ų109.267%0.66858%0.579SS**THydrogen-bonded Turntrans-78.9-26.6173.8-58.2-176.918.800111.5M8 N9 R14M8-Q12 PolarHBondContact O-NE2 3.37Å; N9-Q12 WeakPolarHBondContact O-CA 3.33Å; N9-Q12 WeakPolarHBondContact O-CB 3.41Å; N9-Q12 PolarHBondContact O-N 2.96Å; Q12-R14 PolarHBondContact O-N 3.5Å
13E61.5Low66.8Low118 Ų118103.9 Ų103.955%0.55155%0.553SS**THydrogen-bonded Turntrans-69.89.5176.6-150.1-177.2-141.900114.2N9 P28N9-E13 PolarHBondContact O-N 2.91Å; E13-P28 WeakPolarHBondContact O-CA 3.47Å
14R74.2Confident68.7Low109 Ų10998.8 Ų98.841%0.41155%0.548SS..  trans-132.264.6175.2-68.1-178.9131.483.7-2.5112.9Q12 F16 R26 F27 P28Q12-R14 PolarHBondContact O-N 3.5Å; R14-F16 VanDerWaalsContact C-N 3.29Å; R14-F16 PolarHBondContact O-N 3.14Å; R14-R26 HydrophobicContact CB-CB 3.87Å; R14-R26 PolarHBondContact NE-O 3.34Å; R14-F27 CarbonylContact C-O 3.51Å; R14-F27 WeakPolarHBondContact CA-O 3.41Å; R14-P28 HydrophobicContact CG-CG 4.17Å
15P83.1Confident70.5Confident87 Ų8797.9 Ų97.957%0.56554%0.544SS*.  trans-71.9-19.6-176.929.4-34.5000113.8V17P15-V17 PolarHBondContact O-N 3.49Å
16F87.2Confident72.7Confident71 Ų7197.9 Ų97.931%0.31154%0.538SS..EExtended strand (participates in β ladder)trans-89.4107.6-174.7-56.5-76.5000111.1R14 R26 F27 P28 T29 E30 L33R14-F16 VanDerWaalsContact C-N 3.29Å; R14-F16 PolarHBondContact O-N 3.14Å; F16-R26 CarbonylContact O-C 3.57Å; F16-R26 WeakPolarHBondContact O-CA 3.38Å; F16-F27 HydrophobicContact CB-CB 4.39Å; F16-F27 PolarHBondContact N-O 2.98Å; F16-F27 PolarHBondContact O-N 2.67Å; F16-P28 WeakPolarHBondContact CD2-O 3.42Å; F16-P28 WeakPolarHBondContact CE2-O 3.45Å; F16-T29 VanDerWaalsContact CD2-CA 3.44Å; F16-E30 HydrophobicContact CD1-CB 3.89Å; F16-E30 WeakPolarHBondContact CD1-OE2 3.39Å; F16-E30 HydrophobicContact CE1-CB 3.86Å; F16-E30 HydrophobicContact CG-CB 4.38Å; F16-E30 HydrophobicContact CZ-CB 4.34Å; F16-L33 HydrophobicContact CB-CB 4.15Å; F16-L33 HydrophobicContact CB-CD2 3.86Å
17V88.6Confident74.7Confident54 Ų5495.2 Ų95.233%0.32752%0.515SS..EExtended strand (participates in β ladder)trans-107.8135.6-172.8-172.40000111.8P15 S19 R26 L33P15-V17 PolarHBondContact O-N 3.49Å; V17-S19 PolarHBondContact O-N 3.43Å; V17-R26 HydrophobicContact CB-CG 4.43Å; V17-R26 HydrophobicContact CG1-CG 4.16Å; V17-R26 HydrophobicContact CG2-CG 3.94Å; V17-L33 WeakPolarHBondContact O-CD2 3.46Å
18C90.9Very high76.6Confident7 Ų790.8 Ų90.85%0.04750%0.502CS..  trans-67.2129.8172.3-167.10000111.6C23 Q25 L33 H36C18-C23 HydrophobicContact CB-CB 4.33Å; C18-Q25 PolarHBondContact N-O 3.4Å; C18-L33 HydrophobicContact CB-CD1 3.95Å; C18-H36 WeakPolarHBondContact CB-NE2 3.18Å; C18-H36 PolarHBondContact SG-CD2 3.03Å; C18-H36 PolarHBondContact SG-NE2 2.91Å
19S86.3Confident78.5Confident90 Ų9087 Ų8763%0.62949%0.486SS*.  trans-98.45.4-176.2-280000112.8V17 R37V17-S19 PolarHBondContact O-N 3.43Å; S19-R37 PolarHBondContact OG-NH2 3.38Å
20A85.4Confident80.5Confident25 Ų2584.9 Ų84.921%0.20747%0.473CS..SBendtrans-75.3136.1-177.600000111.1G22 C23A20-G22 PolarHBondContact O-N 2.94Å; A20-C23 HydrophobicContact CB-CB 4.1Å; A20-C23 PolarHBondContact O-N 3.1Å
21P85.2Confident82.1Confident138 Ų13884.4 Ų84.490%0.89647%0.471SS*.THydrogen-bonded Turntrans-54.2124.8178.1-27.335.3000112.2C23P21-C23 VanDerWaalsContact C-N 3.34Å
22G82.4Confident84Confident94 Ų9481.6 Ų81.697%0.96946%0.458SS*.THydrogen-bonded Turntrans82.3-0.5-177.200000115.6A20A20-G22 PolarHBondContact O-N 2.94Å
23C87.6Confident85.8Confident25 Ų2574.9 Ų74.917%0.16943%0.427CS..  trans-105.7134173.2-165.20000111.7C18 A20 P21 H36 H40C18-C23 HydrophobicContact CB-CB 4.33Å; A20-C23 HydrophobicContact CB-CB 4.1Å; A20-C23 PolarHBondContact O-N 3.1Å; P21-C23 VanDerWaalsContact C-N 3.34Å; C23-H36 VanDerWaalsContact SG-CE1 3.57Å; C23-H36 PolarHBondContact SG-NE2 2.87Å; C23-H40 WeakPolarHBondContact CB-NE2 3.14Å; C23-H40 PolarHBondContact SG-NE2 3.39Å; C23-H40 VanDerWaalsContact SG-NE2 3.39Å
24S84.9Confident87.1Confident104 Ų10473.9 Ų73.973%0.72742%0.423SS*.  trans-120.99.9-179.7560000113.7
25Q88Confident87.7Confident104 Ų10474.3 Ų74.349%0.48643%0.432SS..  trans-67.3140.3-174.7-64.2-169.210.400112.3C18 F27 H36C18-Q25 PolarHBondContact N-O 3.4Å; Q25-F27 HydrophobicContact CB-CE2 3.78Å; Q25-F27 HydrophobicContact CB-CZ 3.72Å; Q25-H36 VanDerWaalsContact CD-CE1 3.45Å; Q25-H36 PolarHBondContact OE1-CE1 3.07Å; Q25-H36 PolarHBondContact OE1-ND1 3.45Å
26R90.3Very high88.1Confident142 Ų14271 Ų7154%0.53641%0.409SS..EExtended strand (participates in β ladder)trans-124.9141.8179.7-53.8-165.7175.8-160.51.5111.9R14 F16 V17R14-R26 HydrophobicContact CB-CB 3.87Å; R14-R26 PolarHBondContact NE-O 3.34Å; F16-R26 CarbonylContact O-C 3.57Å; F16-R26 WeakPolarHBondContact O-CA 3.38Å; V17-R26 HydrophobicContact CB-CG 4.43Å; V17-R26 HydrophobicContact CG1-CG 4.16Å; V17-R26 HydrophobicContact CG2-CG 3.94Å
27F90.4Very high88Confident30 Ų3072.5 Ų72.513%0.13241%0.413CS..EExtended strand (participates in β ladder)trans-127146.7-169.7-60.4-78.4000111.9R14 F16 Q25 T29 H32 L33 H36R14-F27 CarbonylContact C-O 3.51Å; R14-F27 WeakPolarHBondContact CA-O 3.41Å; F16-F27 HydrophobicContact CB-CB 4.39Å; F16-F27 PolarHBondContact N-O 2.98Å; F16-F27 PolarHBondContact O-N 2.67Å; Q25-F27 HydrophobicContact CB-CE2 3.78Å; Q25-F27 HydrophobicContact CB-CZ 3.72Å; F27-T29 VanDerWaalsContact C-N 3.33Å; F27-H32 HydrophobicContact CB-CB 3.93Å; F27-H32 HydrophobicContact CD1-CB 3.68Å; F27-H32 HydrophobicContact CG-CB 4Å; F27-L33 HydrophobicContact CB-CB 4.37Å; F27-L33 HydrophobicContact CD2-CB 3.87Å; F27-L33 HydrophobicContact CD2-CD1 3.98Å; F27-L33 HydrophobicContact CE2-CD1 4.16Å; F27-L33 HydrophobicContact CG-CB 4.35Å; F27-H36 HydrophobicContact CE1-CB 4.26Å; F27-H36 HydrophobicContact CE2-CB 3.79Å; F27-H36 AromaticContact CE2-CD2 3.67Å; F27-H36 AromaticContact CE2-CG 3.58Å; F27-H36 HydrophobicContact CZ-CB 3.56Å; F27-H36 AromaticContact CZ-CD2 3.91Å; F27-H36 AromaticContact CZ-CG 3.38Å; F27-H36 AromaticContact CZ-ND1 3.52Å
28P87.5Confident87.9Confident54 Ų5474.6 Ų74.635%0.35142%0.419SS..SBendtrans-71.1-23.8175.7-18.832.6000114.3E13 R14 F16E13-P28 WeakPolarHBondContact O-CA 3.47Å; R14-P28 HydrophobicContact CG-CG 4.17Å; F16-P28 WeakPolarHBondContact CD2-O 3.42Å; F16-P28 WeakPolarHBondContact CE2-O 3.45Å
29T86.9Confident87.5Confident56 Ų5681 Ų8134%0.34445%0.446SS..SBendtrans-136.4151.6178.968.40000111.6F16 F27 D31 H32 L33F16-T29 VanDerWaalsContact CD2-CA 3.44Å; F27-T29 VanDerWaalsContact C-N 3.33Å; T29-D31 VanDerWaalsContact C-N 3.27Å; T29-D31 PolarHBondContact O-N 3.07Å; T29-H32 PolarHBondContact O-N 2.9Å; T29-H32 PolarHBondContact OG1-ND1 2.98Å; T29-L33 PolarHBondContact O-N 3.32Å
30E89.1Confident87.2Confident59 Ų5979.9 Ų79.928%0.27643%0.431SS..Hα-helixtrans-60-34.6177.2-175.761.1-138.400111.8F16 H32 L33 M34 R37F16-E30 HydrophobicContact CD1-CB 3.89Å; F16-E30 WeakPolarHBondContact CD1-OE2 3.39Å; F16-E30 HydrophobicContact CE1-CB 3.86Å; F16-E30 HydrophobicContact CG-CB 4.38Å; F16-E30 HydrophobicContact CZ-CB 4.34Å; E30-H32 VanDerWaalsContact C-N 3.3Å; E30-H32 PolarHBondContact O-N 2.88Å; E30-L33 CarbonylContact O-C 3.45Å; E30-L33 WeakPolarHBondContact O-CA 3.35Å; E30-L33 WeakPolarHBondContact O-CB 3.35Å; E30-L33 PolarHBondContact O-N 3.28Å; E30-M34 HydrophobicContact CG-CE 4.3Å; E30-M34 HydrophobicContact CG-CG 4.07Å; E30-M34 HydrophobicContact CG-SD 4.37Å; E30-M34 WeakPolarHBondContact O-CG 3.5Å; E30-M34 PolarHBondContact O-N 3.05Å; E30-R37 IonicContact OE1-NH1 3.49Å; E30-R37 PolarHBondContact OE1-NH1 3.46Å
31D89.4Confident86.7Confident100 Ų10085.2 Ų85.254%0.53545%0.451SS..Hα-helixtrans-55-43.9177.3-62.4-29.1000112.8T29 L33 M34 I35T29-D31 VanDerWaalsContact C-N 3.27Å; T29-D31 PolarHBondContact O-N 3.07Å; D31-L33 VanDerWaalsContact C-N 3.32Å; D31-L33 PolarHBondContact O-N 3.16Å; D31-M34 PolarHBondContact O-N 3.31Å; D31-M34 WeakPolarHBondContact OD1-CE 3.31Å; D31-I35 WeakPolarHBondContact O-CD1 3.23Å; D31-I35 VanDerWaalsContact O-CG1 3.27Å; D31-I35 WeakPolarHBondContact O-CG1 3.3Å; D31-I35 PolarHBondContact O-N 3.21Å
32H91.2Very high85.8Confident104 Ų10484.9 Ų84.948%0.48144%0.439SS..Hα-helixtrans-68.2-33.8176.7-69104.2000111.7F27 T29 E30 H36F27-H32 HydrophobicContact CB-CB 3.93Å; F27-H32 HydrophobicContact CD1-CB 3.68Å; F27-H32 HydrophobicContact CG-CB 4Å; T29-H32 PolarHBondContact O-N 2.9Å; T29-H32 PolarHBondContact OG1-ND1 2.98Å; E30-H32 VanDerWaalsContact C-N 3.3Å; E30-H32 PolarHBondContact O-N 2.88Å; H32-H36 WeakPolarHBondContact O-CB 3.49Å; H32-H36 PolarHBondContact O-N 2.85Å
33L90.9Very high85Confident2 Ų284.6 Ų84.61%0.0142%0.419CS..Hα-helixtrans-68.5-39.7172.2174.757.1000111.9F16 V17 C18 F27 T29 E30 D31 H36 R37F16-L33 HydrophobicContact CB-CB 4.15Å; F16-L33 HydrophobicContact CB-CD2 3.86Å; V17-L33 WeakPolarHBondContact O-CD2 3.46Å; C18-L33 HydrophobicContact CB-CD1 3.95Å; F27-L33 HydrophobicContact CB-CB 4.37Å; F27-L33 HydrophobicContact CD2-CB 3.87Å; F27-L33 HydrophobicContact CD2-CD1 3.98Å; F27-L33 HydrophobicContact CE2-CD1 4.16Å; F27-L33 HydrophobicContact CG-CB 4.35Å; T29-L33 PolarHBondContact O-N 3.32Å; E30-L33 CarbonylContact O-C 3.45Å; E30-L33 WeakPolarHBondContact O-CA 3.35Å; E30-L33 WeakPolarHBondContact O-CB 3.35Å; E30-L33 PolarHBondContact O-N 3.28Å; D31-L33 VanDerWaalsContact C-N 3.32Å; D31-L33 PolarHBondContact O-N 3.16Å; L33-H36 CarbonylContact O-C 3.59Å; L33-H36 PolarHBondContact O-N 3.1Å; L33-R37 HydrophobicContact CD1-CG 3.97Å; L33-R37 HydrophobicContact CG-CG 4.37Å; L33-R37 WeakPolarHBondContact O-CB 3.35Å; L33-R37 WeakPolarHBondContact O-CG 3.39Å; L33-R37 PolarHBondContact O-N 2.94Å
34M89Confident83.2Confident97 Ų9789.7 Ų89.748%0.47844%0.444SS..Hα-helixtrans-64.7-47.5176.5-71.4-168.6-6900111.5E30 D31 H36 R37 H38E30-M34 HydrophobicContact CG-CE 4.3Å; E30-M34 HydrophobicContact CG-CG 4.07Å; E30-M34 HydrophobicContact CG-SD 4.37Å; E30-M34 WeakPolarHBondContact O-CG 3.5Å; E30-M34 PolarHBondContact O-N 3.05Å; D31-M34 PolarHBondContact O-N 3.31Å; D31-M34 WeakPolarHBondContact OD1-CE 3.31Å; M34-H36 VanDerWaalsContact C-N 3.26Å; M34-H36 PolarHBondContact O-N 2.99Å; M34-R37 PolarHBondContact O-N 3.2Å; M34-H38 PolarHBondContact O-N 3.45Å
35I88.2Confident81.7Confident117 Ų11794 Ų9460%0.645%0.449SS*.Hα-helixtrans-58.7-40.3174.5-66.2163.3000110.7D31 K39D31-I35 WeakPolarHBondContact O-CD1 3.23Å; D31-I35 VanDerWaalsContact O-CG1 3.27Å; D31-I35 WeakPolarHBondContact O-CG1 3.3Å; D31-I35 PolarHBondContact O-N 3.21Å; I35-K39 PolarHBondContact O-N 2.86Å
36H90.2Very high79.7Confident18 Ų1896.8 Ų96.88%0.08346%0.46CS..Hα-helixtrans-69.8-40.1176.4173.688.5000113.2C18 C23 Q25 F27 H32 L33 M34 H38 K39 H40C18-H36 WeakPolarHBondContact CB-NE2 3.18Å; C18-H36 PolarHBondContact SG-CD2 3.03Å; C18-H36 PolarHBondContact SG-NE2 2.91Å; C23-H36 VanDerWaalsContact SG-CE1 3.57Å; C23-H36 PolarHBondContact SG-NE2 2.87Å; Q25-H36 VanDerWaalsContact CD-CE1 3.45Å; Q25-H36 PolarHBondContact OE1-CE1 3.07Å; Q25-H36 PolarHBondContact OE1-ND1 3.45Å; F27-H36 HydrophobicContact CE1-CB 4.26Å; F27-H36 HydrophobicContact CE2-CB 3.79Å; F27-H36 AromaticContact CE2-CD2 3.67Å; F27-H36 AromaticContact CE2-CG 3.58Å; F27-H36 HydrophobicContact CZ-CB 3.56Å; F27-H36 AromaticContact CZ-CD2 3.91Å; F27-H36 AromaticContact CZ-CG 3.38Å; F27-H36 AromaticContact CZ-ND1 3.52Å; H32-H36 WeakPolarHBondContact O-CB 3.49Å; H32-H36 PolarHBondContact O-N 2.85Å; L33-H36 CarbonylContact O-C 3.59Å; L33-H36 PolarHBondContact O-N 3.1Å; M34-H36 VanDerWaalsContact C-N 3.26Å; M34-H36 PolarHBondContact O-N 2.99Å; H36-H38 VanDerWaalsContact C-N 3.32Å; H36-H38 PolarHBondContact O-N 2.99Å; H36-K39 WeakPolarHBondContact O-CB 3.42Å; H36-K39 PolarHBondContact O-N 2.99Å; H36-K39 VanDerWaalsContact O-N 3.14Å; H36-H40 AromaticContact CD2-CD2 3.93Å; H36-H40 AromaticContact CE1-NE2 3.68Å; H36-H40 AromaticContact NE2-CD2 3.58Å; H36-H40 AromaticContact NE2-NE2 3.19Å; H36-H40 PolarHBondContact NE2-NE2 3.42Å; H36-H40 VanDerWaalsContact NE2-NE2 3.19Å; H36-H40 PolarHBondContact O-N 3.3Å
37R86.8Confident77.2Confident102 Ų10295.4 Ų95.439%0.38547%0.47SS..Hα-helixtrans-60.9-41.2173.2-80.5171.5166.1158.9-5.8111S19 E30 L33 M34 K39 H40 E41S19-R37 PolarHBondContact OG-NH2 3.38Å; E30-R37 IonicContact OE1-NH1 3.49Å; E30-R37 PolarHBondContact OE1-NH1 3.46Å; L33-R37 HydrophobicContact CD1-CG 3.97Å; L33-R37 HydrophobicContact CG-CG 4.37Å; L33-R37 WeakPolarHBondContact O-CB 3.35Å; L33-R37 WeakPolarHBondContact O-CG 3.39Å; L33-R37 PolarHBondContact O-N 2.94Å; M34-R37 PolarHBondContact O-N 3.2Å; R37-K39 PolarHBondContact O-N 3.41Å; R37-H40 WeakPolarHBondContact O-CA 3.41Å; R37-H40 WeakPolarHBondContact O-CB 3.4Å; R37-H40 PolarHBondContact O-N 3.48Å; R37-E41 PolarHBondContact O-N 3.38Å; R37-E41 VanDerWaalsContact O-N 3.11Å
38H85.2Confident74.8Confident99 Ų9999.5 Ų99.546%0.45850%0.502SS..Hα-helixtrans-64.5-27.5176-163.758000112.7M34 H36 E41 M42M34-H38 PolarHBondContact O-N 3.45Å; H36-H38 VanDerWaalsContact C-N 3.32Å; H36-H38 PolarHBondContact O-N 2.99Å; H38-E41 IonicContact CE1-OE2 2.79Å; H38-E41 PolarHBondContact CE1-OE2 3.33Å; H38-E41 IonicContact CG-OE2 3.63Å; H38-E41 IonicContact ND1-OE2 3.53Å; H38-E41 PolarHBondContact ND1-OE2 3.31Å; H38-E41 WeakPolarHBondContact O-CB 3.43Å; H38-E41 PolarHBondContact O-N 3Å; H38-M42 WeakPolarHBondContact CE1-CE 3.45Å; H38-M42 WeakPolarHBondContact O-CB 3.47Å; H38-M42 WeakPolarHBondContact O-CG 3.4Å; H38-M42 PolarHBondContact O-N 3.28Å
39K82.1Confident72.9Confident141 Ų141103.6 Ų103.661%0.61352%0.519SS*.Hα-helixtrans-65.5-35167.7-70.1-176.462.61800113I35 H36 R37 E41 T43I35-K39 PolarHBondContact O-N 2.86Å; H36-K39 WeakPolarHBondContact O-CB 3.42Å; H36-K39 PolarHBondContact O-N 2.99Å; H36-K39 VanDerWaalsContact O-N 3.14Å; R37-K39 PolarHBondContact O-N 3.41Å; K39-E41 VanDerWaalsContact C-N 3.3Å; K39-T43 WeakPolarHBondContact O-CB 3.37Å; K39-T43 PolarHBondContact O-N 3.34Å; K39-T43 PolarHBondContact O-OG1 2.88Å
40H81.3Confident71Confident67 Ų67110.8 Ų110.831%0.3155%0.546SS..Hα-helixtrans-72.4-25.2174.7-75.9-70.7000112.9C23 H36 R37C23-H40 WeakPolarHBondContact CB-NE2 3.14Å; C23-H40 PolarHBondContact SG-NE2 3.39Å; C23-H40 VanDerWaalsContact SG-NE2 3.39Å; H36-H40 AromaticContact CD2-CD2 3.93Å; H36-H40 AromaticContact CE1-NE2 3.68Å; H36-H40 AromaticContact NE2-CD2 3.58Å; H36-H40 AromaticContact NE2-NE2 3.19Å; H36-H40 PolarHBondContact NE2-NE2 3.42Å; H36-H40 VanDerWaalsContact NE2-NE2 3.19Å; H36-H40 PolarHBondContact O-N 3.3Å; R37-H40 WeakPolarHBondContact O-CA 3.41Å; R37-H40 WeakPolarHBondContact O-CB 3.4Å; R37-H40 PolarHBondContact O-N 3.48Å
41E75.4Confident68.5Low137 Ų137113.4 Ų113.464%0.6457%0.566SS**Hα-helixtrans-75.1-44.6172.4-176.1173-146.300111.7R37 H38 K39 T43R37-E41 PolarHBondContact O-N 3.38Å; R37-E41 VanDerWaalsContact O-N 3.11Å; H38-E41 IonicContact CE1-OE2 2.79Å; H38-E41 PolarHBondContact CE1-OE2 3.33Å; H38-E41 IonicContact CG-OE2 3.63Å; H38-E41 IonicContact ND1-OE2 3.53Å; H38-E41 PolarHBondContact ND1-OE2 3.31Å; H38-E41 WeakPolarHBondContact O-CB 3.43Å; H38-E41 PolarHBondContact O-N 3Å; K39-E41 VanDerWaalsContact C-N 3.3Å; E41-T43 VanDerWaalsContact C-N 3.31Å; E41-T43 PolarHBondContact O-N 3.19Å
42M65.8Low65.9Low130 Ų130115.8 Ų115.864%0.6458%0.579SS**Hα-helixtrans-81.3-3.5179-65.9-65.8162.700114.4H38H38-M42 WeakPolarHBondContact CE1-CE 3.45Å; H38-M42 WeakPolarHBondContact O-CB 3.47Å; H38-M42 WeakPolarHBondContact O-CG 3.4Å; H38-M42 PolarHBondContact O-N 3.28Å
43T64.4Low63.7Low88 Ų88117.9 Ų117.954%0.5459%0.594SS.*SBendtrans-91112.5170.3-58.70000109K39 E41 K45K39-T43 WeakPolarHBondContact O-CB 3.37Å; K39-T43 PolarHBondContact O-N 3.34Å; K39-T43 PolarHBondContact O-OG1 2.88Å; E41-T43 VanDerWaalsContact C-N 3.31Å; E41-T43 PolarHBondContact O-N 3.19Å; T43-K45 PolarHBondContact O-N 3.05Å
44L51.3Low61.6Low133 Ų133125.2 Ų125.270%0.69663%0.63SS**  trans-53123.6-179.9-65.1176.1000111.5F46L44-F46 VanDerWaalsContact C-N 3.26Å; L44-F46 HydrophobicContact CB-CD2 4.1Å; L44-F46 HydrophobicContact CB-CE2 3.6Å; L44-F46 HydrophobicContact CB-CZ 4.05Å; L44-F46 HydrophobicContact CD1-CE2 4.11Å; L44-F46 HydrophobicContact CD1-CZ 3.94Å; L44-F46 WeakPolarHBondContact O-CD2 3.45Å; L44-F46 PolarHBondContact O-N 3.36Å
45K53.3Low59.6Low193 Ų193127.3 Ų127.384%0.83964%0.642SS**  trans-77.471.3-178.9-68.7179.4-178.3169.80111.7T43T43-K45 PolarHBondContact O-N 3.05Å
46F45.3Very low57.6Low164 Ų164127 Ų12772%0.71965%0.65SS**  trans-63.3136.6164.9-62.9-72.8000109.9L44 S48L44-F46 VanDerWaalsContact C-N 3.26Å; L44-F46 HydrophobicContact CB-CD2 4.1Å; L44-F46 HydrophobicContact CB-CE2 3.6Å; L44-F46 HydrophobicContact CB-CZ 4.05Å; L44-F46 HydrophobicContact CD1-CE2 4.11Å; L44-F46 HydrophobicContact CD1-CZ 3.94Å; L44-F46 WeakPolarHBondContact O-CD2 3.45Å; L44-F46 PolarHBondContact O-N 3.36Å; F46-S48 PolarHBondContact O-N 2.9Å
47P38.4Very low55.4Low113 Ų113133.4 Ų133.473%0.73469%0.685SS**  trans-54.9137.5170.2-24.934.7000110.5I49P47-I49 PolarHBondContact O-N 3.45Å
48S38.7Very low53.6Low116 Ų116135.8 Ų135.881%0.81170%0.701SS**  trans-68.696.6-178.6-176.30000110.6F46 K50F46-S48 PolarHBondContact O-N 2.9Å; S48-K50 PolarHBondContact O-N 2.97Å
49I48.3Very low52.2Low139 Ų139137 Ų13771%0.71372%0.715SS**  trans-68.6117.3170.4-41.9176.7000107.1P47 T51P47-I49 PolarHBondContact O-N 3.45Å; I49-T51 HydrophobicContact CG2-CG2 4.26Å; I49-T51 PolarHBondContact O-N 3.11Å
50K47.8Very low50.8Low207 Ų207132.6 Ų132.690%0.970%0.701SS**  trans-72.690.3174.7-79.1-175.1172-177.20110.2S48S48-K50 PolarHBondContact O-N 2.97Å
51T36.6Very low49.9Very low115 Ų115134 Ų13471%0.70671%0.714SS**  trans-140.8151.7170.9460000110.3I49I49-T51 HydrophobicContact CG2-CG2 4.26Å; I49-T51 PolarHBondContact O-N 3.11Å
52D34.5Very low49.3Very low150 Ų150131.9 Ų131.980%0.80271%0.712SS**  trans-61.1155.8-160.7-88.8-82.5000118.4M54D52-M54 PolarHBondContact O-N 3.2Å
53N44.4Very low49.2Very low148 Ų148131 Ų13179%0.79172%0.715SS**THydrogen-bonded Turntrans-7336.5-168.2-170.558.1000114.9
54M46.5Very low49.5Very low155 Ų155134.1 Ų134.176%0.76472%0.717SS**THydrogen-bonded Turntrans-136.29.1-164.6-73.3-80.393.800116.2D52D52-M54 PolarHBondContact O-N 3.2Å
55L47.4Very low50.4Low142 Ų142133.4 Ų133.474%0.74371%0.708SS**  trans-133.724.1-173.9-69.7175.5000115.6D57L55-D57 PolarHBondContact O-N 2.97Å
56S46.7Very low51.5Low109 Ų109128.7 Ų128.776%0.76269%0.691SS**THydrogen-bonded Turntrans-70.5-20.9-174.146.80000116.4
57D43.9Very low52.6Low153 Ų153127 Ų12782%0.81868%0.684SS**THydrogen-bonded Turntrans-100.83.6-171.2-66.3-51.6000115.1L55 T59L55-D57 PolarHBondContact O-N 2.97Å; D57-T59 PolarHBondContact O-N 3.45Å
58Q48.6Very low54Low153 Ų153124.6 Ų124.672%0.71567%0.665SS**  trans-77.987.9171.7-76.3-73.4400110.5P60Q58-P60 WeakPolarHBondContact O-CD 3.33Å; Q58-P60 VanDerWaalsContact O-N 3.12Å
59T54.8Low55.5Low124 Ų124119.8 Ų119.876%0.76163%0.631SS**  trans-56.8115.5162-62.40000107.5D57 T61D57-T59 PolarHBondContact O-N 3.45Å; T59-T61 PolarHBondContact O-N 3.04Å
60P54Low56.6Low49 Ų49119.5 Ų119.532%0.31863%0.627SS.*  trans-62.4129.9-173.424.3-33.2000109.8Q58 R64 F65Q58-P60 WeakPolarHBondContact O-CD 3.33Å; Q58-P60 VanDerWaalsContact O-N 3.12Å; P60-R64 HydrophobicContact CB-CB 4.36Å; P60-R64 HydrophobicContact CB-CG 4.48Å; P60-F65 HydrophobicContact CG-CB 4.37Å; P60-F65 HydrophobicContact CG-CD2 4.44Å
61T62.6Low57.6Low95 Ų95116.9 Ų116.958%0.58362%0.618SS**  trans-47.1139.2174.8-16.80000109.2T59 T63 R64 F65T59-T61 PolarHBondContact O-N 3.04Å; T61-T63 PolarHBondContact O-N 3.46Å; T61-R64 WeakPolarHBondContact O-CA 3.48Å; T61-R64 WeakPolarHBondContact O-CB 3.31Å; T61-R64 PolarHBondContact O-N 3.2Å; T61-F65 PolarHBondContact O-N 3.05Å; T61-F65 VanDerWaalsContact O-N 3.12Å
62P61.3Low59.3Low93 Ų93116.6 Ų116.660%0.60462%0.615SS**Hα-helixtrans-51.2-36.1-170.4-32.237000114.5R64 F65 L66P62-R64 PolarHBondContact O-N 3.3Å; P62-F65 PolarHBondContact O-N 3.14Å; P62-L66 WeakPolarHBondContact O-CB 3.44Å; P62-L66 WeakPolarHBondContact O-CG 3.39Å; P62-L66 PolarHBondContact O-N 2.95Å
63T64.9Low60.8Low113 Ų113110.8 Ų110.869%0.69359%0.591SS**Hα-helixtrans-58.1-40.2173.1-30.50000113.7T61 K67T61-T63 PolarHBondContact O-N 3.46Å; T63-K67 WeakPolarHBondContact O-CB 3.38Å; T63-K67 PolarHBondContact O-N 2.9Å
64R71.1Confident61.9Low152 Ų152109 Ų10957%0.57458%0.581SS**Hα-helixtrans-75.9-35.3176.8-171.4175.3-171.4-94.8-3.9111.6P60 T61 P62 N68P60-R64 HydrophobicContact CB-CB 4.36Å; P60-R64 HydrophobicContact CB-CG 4.48Å; T61-R64 WeakPolarHBondContact O-CA 3.48Å; T61-R64 WeakPolarHBondContact O-CB 3.31Å; T61-R64 PolarHBondContact O-N 3.2Å; P62-R64 PolarHBondContact O-N 3.3Å; R64-N68 WeakPolarHBondContact O-CB 3.45Å; R64-N68 PolarHBondContact O-N 3.26Å; R64-N68 PolarHBondContact O-OD1 2.75Å; R64-N68 VanDerWaalsContact O-OD1 3.07Å
65F69.1Low62.7Low118 Ų118105.8 Ų105.852%0.51856%0.563SS.*Hα-helixtrans-63.3-49172.6-178.5-96.4000111.1P60 T61 P62 K67 N68 C69P60-F65 HydrophobicContact CG-CB 4.37Å; P60-F65 HydrophobicContact CG-CD2 4.44Å; T61-F65 PolarHBondContact O-N 3.05Å; T61-F65 VanDerWaalsContact O-N 3.12Å; P62-F65 PolarHBondContact O-N 3.14Å; F65-K67 PolarHBondContact O-N 3.23Å; F65-N68 PolarHBondContact O-N 3.12Å; F65-C69 PolarHBondContact O-N 3Å; F65-C69 PolarHBondContact O-SG 3.48Å; F65-C69 VanDerWaalsContact O-SG 3.37Å
66L75.9Confident63.6Low94 Ų94102.5 Ų102.549%0.49255%0.552SS.*Hα-helixtrans-59-45.8176.8-72.5167.6000112P62 N68 C69 E70 F75P62-L66 WeakPolarHBondContact O-CB 3.44Å; P62-L66 WeakPolarHBondContact O-CG 3.39Å; P62-L66 PolarHBondContact O-N 2.95Å; L66-N68 PolarHBondContact O-N 3.43Å; L66-C69 WeakPolarHBondContact O-CB 3.39Å; L66-C69 PolarHBondContact O-N 3.13Å; L66-C69 VanDerWaalsContact O-N 3.11Å; L66-E70 PolarHBondContact O-N 3.28Å; L66-F75 HydrophobicContact CD2-CZ 4.26Å
67K68.3Low64.2Low130 Ų130105.4 Ų105.457%0.56555%0.554SS**Hα-helixtrans-62.6-39.2176-172.8173.4-178.5178.70112.7T63 F65 C69 E70 E71T63-K67 WeakPolarHBondContact O-CB 3.38Å; T63-K67 PolarHBondContact O-N 2.9Å; F65-K67 PolarHBondContact O-N 3.23Å; K67-C69 VanDerWaalsContact C-N 3.3Å; K67-C69 PolarHBondContact O-N 2.88Å; K67-E70 WeakPolarHBondContact O-CB 3.46Å; K67-E70 PolarHBondContact O-N 2.89Å; K67-E71 VanDerWaalsContact O-CB 3.3Å; K67-E71 WeakPolarHBondContact O-CB 3.23Å; K67-E71 PolarHBondContact O-N 3.04Å
68N69.1Low64.9Low61 Ų61103.1 Ų103.133%0.32654%0.541SS..Hα-helixtrans-65.1-34174.3-72.113.6000111.8R64 F65 L66 V72R64-N68 WeakPolarHBondContact O-CB 3.45Å; R64-N68 PolarHBondContact O-N 3.26Å; R64-N68 PolarHBondContact O-OD1 2.75Å; R64-N68 VanDerWaalsContact O-OD1 3.07Å; F65-N68 PolarHBondContact O-N 3.12Å; L66-N68 PolarHBondContact O-N 3.43Å; N68-V72 PolarHBondContact O-N 2.85Å
69C70.2Confident65.5Low15 Ų15100.9 Ų100.910%0.10153%0.534CS..Hα-helixtrans-69.2-41.7174.3-68.80000112.1F65 L66 K67 V72 G73 L74 F75F65-C69 PolarHBondContact O-N 3Å; F65-C69 PolarHBondContact O-SG 3.48Å; F65-C69 VanDerWaalsContact O-SG 3.37Å; L66-C69 WeakPolarHBondContact O-CB 3.39Å; L66-C69 PolarHBondContact O-N 3.13Å; L66-C69 VanDerWaalsContact O-N 3.11Å; K67-C69 VanDerWaalsContact C-N 3.3Å; K67-C69 PolarHBondContact O-N 2.88Å; C69-V72 WeakPolarHBondContact O-CG2 3.35Å; C69-V72 PolarHBondContact O-N 3.4Å; C69-G73 PolarHBondContact O-N 3.22Å; C69-L74 HydrophobicContact CB-CB 4.22Å; C69-L74 HydrophobicContact CB-CD1 4.17Å; C69-L74 WeakPolarHBondContact O-CB 3.34Å; C69-L74 PolarHBondContact O-N 3.37Å; C69-F75 HydrophobicContact CB-CE2 3.84Å; C69-F75 HydrophobicContact CB-CZ 4.44Å
70E70.8Confident65.7Low134 Ų13499.5 Ų99.563%0.62653%0.528SS*.Hα-helixtrans-58.7-45.2171.7-174.9-178.7-157.400111.2L66 K67 V72 G73 F75L66-E70 PolarHBondContact O-N 3.28Å; K67-E70 WeakPolarHBondContact O-CB 3.46Å; K67-E70 PolarHBondContact O-N 2.89Å; E70-V72 VanDerWaalsContact C-N 3.3Å; E70-V72 PolarHBondContact O-N 3.25Å; E70-G73 PolarHBondContact O-N 3.26Å; E70-F75 HydrophobicContact CB-CD2 4.42Å
71E69.4Low66.2Low151 Ų151100.8 Ų100.871%0.70654%0.538SS*.Hα-helixtrans-68-21.6179.2-169.7167.4-165.300114.1K67K67-E71 VanDerWaalsContact O-CB 3.3Å; K67-E71 WeakPolarHBondContact O-CB 3.23Å; K67-E71 PolarHBondContact O-N 3.04Å
72V72.3Confident66.4Low109 Ų109101.1 Ų101.166%0.66154%0.536SS*.THydrogen-bonded Turntrans-96.811.7169.4-55.60000113.8N68 C69 E70 L74N68-V72 PolarHBondContact O-N 2.85Å; C69-V72 WeakPolarHBondContact O-CG2 3.35Å; C69-V72 PolarHBondContact O-N 3.4Å; E70-V72 VanDerWaalsContact C-N 3.3Å; E70-V72 PolarHBondContact O-N 3.25Å; V72-L74 VanDerWaalsContact C-N 3.32Å; V72-L74 HydrophobicContact CG2-CB 4.33Å; V72-L74 HydrophobicContact CG2-CD1 4.25Å; V72-L74 HydrophobicContact CG2-CG 4.48Å; V72-L74 PolarHBondContact O-N 2.93Å
73G65.6Low66.9Low29 Ų29102.9 Ų102.930%0.29954%0.536SS..THydrogen-bonded Turntrans73.715173.400000115.5C69 E70 F75 S76C69-G73 PolarHBondContact O-N 3.22Å; E70-G73 PolarHBondContact O-N 3.26Å; G73-F75 PolarHBondContact O-N 2.96Å; G73-S76 PolarHBondContact O-N 3.5Å; G73-S76 PolarHBondContact O-OG 3.05Å
74L66.9Low67.1Low110 Ų110103.7 Ų103.758%0.57653%0.532SS*.THydrogen-bonded Turntrans-64.8-12.5-171.3-124.5169.6000114.4C69 V72C69-L74 HydrophobicContact CB-CB 4.22Å; C69-L74 HydrophobicContact CB-CD1 4.17Å; C69-L74 WeakPolarHBondContact O-CB 3.34Å; C69-L74 PolarHBondContact O-N 3.37Å; V72-L74 VanDerWaalsContact C-N 3.32Å; V72-L74 HydrophobicContact CG2-CB 4.33Å; V72-L74 HydrophobicContact CG2-CD1 4.25Å; V72-L74 HydrophobicContact CG2-CG 4.48Å; V72-L74 PolarHBondContact O-N 2.93Å
75F63.4Low67.1Low88 Ų88102.8 Ų102.839%0.38653%0.534SS..THydrogen-bonded Turntrans-101.4-16.5176.8-62.4-76.7000113.6L66 C69 E70 G73 E77 L78 D79L66-F75 HydrophobicContact CD2-CZ 4.26Å; C69-F75 HydrophobicContact CB-CE2 3.84Å; C69-F75 HydrophobicContact CB-CZ 4.44Å; E70-F75 HydrophobicContact CB-CD2 4.42Å; G73-F75 PolarHBondContact O-N 2.96Å; F75-E77 VanDerWaalsContact C-N 3.26Å; F75-E77 PolarHBondContact O-N 3.02Å; F75-L78 HydrophobicContact CD1-CD1 4.06Å; F75-L78 WeakPolarHBondContact O-CB 3.32Å; F75-L78 PolarHBondContact O-N 2.87Å; F75-D79 PolarHBondContact O-N 3.03Å
76S65.7Low67.2Low73 Ų73104.3 Ų104.351%0.5154%0.54SS..Hα-helixtrans-64.5-27-172.2-55.60000113.9G73 C80G73-S76 PolarHBondContact O-N 3.5Å; G73-S76 PolarHBondContact O-OG 3.05Å; S76-C80 PolarHBondContact O-SG 3.19Å
77E60.3Low67.1Low170 Ų170106.7 Ų106.779%0.79454%0.543SS*.Hα-helixtrans-75.4-28.4173.2-63.4-175.3167.800112.6F75 S81F75-E77 VanDerWaalsContact C-N 3.26Å; F75-E77 PolarHBondContact O-N 3.02Å; E77-S81 WeakPolarHBondContact O-CB 3.49Å; E77-S81 PolarHBondContact O-N 3.27Å; E77-S81 VanDerWaalsContact O-N 3.17Å
78L58.9Low67.3Low104 Ų104106.6 Ų106.655%0.54554%0.542SS..Hα-helixtrans-74.5-43.1-178.7-66171.4000111.4F75 S81 L82F75-L78 HydrophobicContact CD1-CD1 4.06Å; F75-L78 WeakPolarHBondContact O-CB 3.32Å; F75-L78 PolarHBondContact O-N 2.87Å; L78-S81 PolarHBondContact O-N 3.37Å; L78-L82 WeakPolarHBondContact O-CB 3.49Å; L78-L82 PolarHBondContact O-N 3.02Å
79D60.6Low67.4Low107 Ų107106.5 Ų106.557%0.57255%0.55SS**Hα-helixtrans-60-48.4177.8-63.5-36.3000110.9F75 S81 L82 E83F75-D79 PolarHBondContact O-N 3.03Å; D79-S81 VanDerWaalsContact C-N 3.32Å; D79-S81 PolarHBondContact O-N 3.45Å; D79-L82 PolarHBondContact O-N 2.88Å; D79-E83 WeakPolarHBondContact O-CB 3.32Å; D79-E83 PolarHBondContact O-N 2.93Å
80C58.4Low67.5Low94 Ų94112.5 Ų112.564%0.63558%0.577SS**Hα-helixtrans-62.6-35.4176.8-67.40000113.4S76 H84S76-C80 PolarHBondContact O-SG 3.19Å; C80-H84 WeakPolarHBondContact O-CB 3.49Å; C80-H84 PolarHBondContact O-N 2.98Å
81S65.3Low67.6Low76 Ų76111.6 Ų111.653%0.53157%0.573SS.*Hα-helixtrans-69.7-47.1177.4-169.90000111.7E77 L78 D79 E85E77-S81 WeakPolarHBondContact O-CB 3.49Å; E77-S81 PolarHBondContact O-N 3.27Å; E77-S81 VanDerWaalsContact O-N 3.17Å; L78-S81 PolarHBondContact O-N 3.37Å; D79-S81 VanDerWaalsContact C-N 3.32Å; D79-S81 PolarHBondContact O-N 3.45Å; S81-E85 PolarHBondContact O-N 3.33Å; S81-E85 VanDerWaalsContact O-N 3.13Å
82L67.9Low67.6Low102 Ų102109.4 Ų109.453%0.53456%0.562SS.*Hα-helixtrans-66.6-45.4-175.9-15989.5000111.9L78 D79 H84 E85 F86L78-L82 WeakPolarHBondContact O-CB 3.49Å; L78-L82 PolarHBondContact O-N 3.02Å; D79-L82 PolarHBondContact O-N 2.88Å; L82-H84 VanDerWaalsContact C-N 3.31Å; L82-H84 PolarHBondContact O-N 3.12Å; L82-E85 PolarHBondContact O-N 2.93Å; L82-F86 HydrophobicContact CD2-CD2 4.45Å; L82-F86 HydrophobicContact CD2-CE2 4.09Å; L82-F86 HydrophobicContact CG-CD2 4.18Å; L82-F86 HydrophobicContact CG-CE2 4.07Å; L82-F86 WeakPolarHBondContact O-CD2 3.3Å; L82-F86 PolarHBondContact O-N 3.43Å
83E70.1Confident67.5Low130 Ų130108.8 Ų108.861%0.60755%0.552SS**Hα-helixtrans-69.9-29.3-176.9-167.1171.1-159.500112.5D79 R87D79-E83 WeakPolarHBondContact O-CB 3.32Å; D79-E83 PolarHBondContact O-N 2.93Å; E83-R87 PolarHBondContact O-N 2.97Å
84H69.3Low67.5Low131 Ų131110.6 Ų110.661%0.60656%0.56SS**Hα-helixtrans-69.6-40.4170.3176.3-109.6000112.2C80 L82 R87 K88C80-H84 WeakPolarHBondContact O-CB 3.49Å; C80-H84 PolarHBondContact O-N 2.98Å; L82-H84 VanDerWaalsContact C-N 3.31Å; L82-H84 PolarHBondContact O-N 3.12Å; H84-R87 PolarHBondContact O-N 3.45Å; H84-K88 WeakPolarHBondContact O-CB 3.43Å; H84-K88 PolarHBondContact O-N 3.37Å
85E70.9Confident67.7Low133 Ų133108.6 Ų108.662%0.62156%0.555SS**Hα-helixtrans-66-42.8178.8-170.3163.9-134.400112.3S81 L82 K88 A89S81-E85 PolarHBondContact O-N 3.33Å; S81-E85 VanDerWaalsContact O-N 3.13Å; L82-E85 PolarHBondContact O-N 2.93Å; E85-K88 PolarHBondContact O-N 2.65Å; E85-A89 PolarHBondContact O-N 3.04Å; E85-A89 VanDerWaalsContact O-N 3.08Å
86F72Confident67.8Low149 Ų149110.4 Ų110.465%0.65456%0.563SS**Hα-helixtrans-60.1-45173.1-89.5-74.6000112.9L82 K88 A89 Q90L82-F86 HydrophobicContact CD2-CD2 4.45Å; L82-F86 HydrophobicContact CD2-CE2 4.09Å; L82-F86 HydrophobicContact CG-CD2 4.18Å; L82-F86 HydrophobicContact CG-CE2 4.07Å; L82-F86 WeakPolarHBondContact O-CD2 3.3Å; L82-F86 PolarHBondContact O-N 3.43Å; F86-K88 PolarHBondContact O-N 3.03Å; F86-A89 PolarHBondContact O-N 3.4Å; F86-Q90 PolarHBondContact O-N 3.47Å; F86-Q90 VanDerWaalsContact O-N 3.15Å
87R73Confident67.5Low144 Ų144115 Ų11554%0.54357%0.569SS.*Hα-helixtrans-61.6-45.1179-169.4179.5-54-153.40.9111.8E83 H84 A89 Q90 E91E83-R87 PolarHBondContact O-N 2.97Å; H84-R87 PolarHBondContact O-N 3.45Å; R87-A89 VanDerWaalsContact C-N 3.34Å; R87-A89 PolarHBondContact O-N 3.26Å; R87-Q90 PolarHBondContact O-N 3.19Å; R87-E91 PolarHBondContact O-N 3.39Å
88K72.3Confident67Low128 Ų128112.2 Ų112.256%0.55756%0.56SS**Hα-helixtrans-60.2-41.9177.4-176.2-178.3174.8-171.60112.2H84 E85 F86 Q90 E91 E92H84-K88 WeakPolarHBondContact O-CB 3.43Å; H84-K88 PolarHBondContact O-N 3.37Å; E85-K88 PolarHBondContact O-N 2.65Å; F86-K88 PolarHBondContact O-N 3.03Å; K88-Q90 VanDerWaalsContact C-N 3.34Å; K88-Q90 PolarHBondContact O-N 2.93Å; K88-E91 PolarHBondContact O-N 2.9Å; K88-E92 PolarHBondContact O-N 3.09Å
89A71.3Confident66.7Low59 Ų59113.7 Ų113.749%0.48857%0.567SS.*Hα-helixtrans-62.7-39.9176.600000112.3E85 F86 R87 E92 E93E85-A89 PolarHBondContact O-N 3.04Å; E85-A89 VanDerWaalsContact O-N 3.08Å; F86-A89 PolarHBondContact O-N 3.4Å; R87-A89 VanDerWaalsContact C-N 3.34Å; R87-A89 PolarHBondContact O-N 3.26Å; A89-E92 PolarHBondContact O-N 3.43Å; A89-E93 PolarHBondContact O-N 3.43Å; A89-E93 VanDerWaalsContact O-N 3.12Å
90Q73.8Confident66.3Low141 Ų141113.7 Ų113.766%0.65958%0.575SS**Hα-helixtrans-67.8-40.8177.6-170.6176.9-0.800112.4F86 R87 K88 E93 S94F86-Q90 PolarHBondContact O-N 3.47Å; F86-Q90 VanDerWaalsContact O-N 3.15Å; R87-Q90 PolarHBondContact O-N 3.19Å; K88-Q90 VanDerWaalsContact C-N 3.34Å; K88-Q90 PolarHBondContact O-N 2.93Å; Q90-E93 PolarHBondContact O-N 3.49Å; Q90-S94 PolarHBondContact O-N 3.46Å; Q90-S94 PolarHBondContact O-OG 3.01Å
91E71.5Confident65.9Low116 Ų116116.8 Ų116.854%0.54258%0.582SS.*Hα-helixtrans-65.6-37.1175.4-73.2174.7-173.200112.2R87 K88 E93 S94 S95R87-E91 PolarHBondContact O-N 3.39Å; K88-E91 PolarHBondContact O-N 2.9Å; E91-E93 VanDerWaalsContact C-N 3.35Å; E91-S94 WeakPolarHBondContact CA-OG 3.36Å; E91-S94 PolarHBondContact O-OG 2.9Å; E91-S94 VanDerWaalsContact O-OG 3.09Å; E91-S95 WeakPolarHBondContact O-CB 3.38Å; E91-S95 PolarHBondContact O-N 3.19Å; E91-S95 PolarHBondContact O-OG 3.46Å
92E70.9Confident65Low104 Ų104120.9 Ų120.949%0.48659%0.593SS.*Hα-helixtrans-67.3-34.4175.1-151.8-167.5129.200112.1K88 A89 K96K88-E92 PolarHBondContact O-N 3.09Å; A89-E92 PolarHBondContact O-N 3.43Å; E92-K96 WeakPolarHBondContact O-CD 3.45Å; E92-K96 VanDerWaalsContact O-CG 3.3Å; E92-K96 WeakPolarHBondContact O-CG 3.41Å; E92-K96 PolarHBondContact O-N 3.43Å; E92-K96 WeakPolarHBondContact OE1-CE 3.38Å; E92-K96 IonicContact OE1-NZ 2.73Å; E92-K96 PolarHBondContact OE1-NZ 3.17Å
93E69.9Low63.8Low97 Ų97123.8 Ų123.845%0.45361%0.609SS.*Hα-helixtrans-70.9-46.7175.1-153.2-150.2152.500112.3A89 Q90 E91 S95 K96 R97A89-E93 PolarHBondContact O-N 3.43Å; A89-E93 VanDerWaalsContact O-N 3.12Å; Q90-E93 PolarHBondContact O-N 3.49Å; E91-E93 VanDerWaalsContact C-N 3.35Å; E93-S95 VanDerWaalsContact C-N 3.3Å; E93-S95 PolarHBondContact O-N 3.23Å; E93-K96 PolarHBondContact O-N 3.27Å; E93-R97 PolarHBondContact O-N 3.39Å; E93-R97 IonicContact OE1-CZ 3.85Å; E93-R97 IonicContact OE1-NE 2.58Å; E93-R97 PolarHBondContact OE1-NE 2.94Å; E93-R97 IonicContact OE1-NH2 2.86Å; E93-R97 PolarHBondContact OE1-NH2 3.38Å
94S65.1Low62.4Low67 Ų67122.3 Ų122.347%0.46962%0.619SS.*Hα-helixtrans-64.1-35.6179.255.70000112.4Q90 E91 K96 R97 N98Q90-S94 PolarHBondContact O-N 3.46Å; Q90-S94 PolarHBondContact O-OG 3.01Å; E91-S94 WeakPolarHBondContact CA-OG 3.36Å; E91-S94 PolarHBondContact O-OG 2.9Å; E91-S94 VanDerWaalsContact O-OG 3.09Å; S94-K96 PolarHBondContact O-N 3.24Å; S94-R97 PolarHBondContact O-N 3.28Å; S94-N98 PolarHBondContact O-N 3.25Å; S94-N98 VanDerWaalsContact O-N 3.1Å
95S70.4Confident60.7Low67 Ų67123.6 Ų123.647%0.46964%0.636SS.*Hα-helixtrans-63.3-39.9176.6-610000112.2E91 E93 N98 I99E91-S95 WeakPolarHBondContact O-CB 3.38Å; E91-S95 PolarHBondContact O-N 3.19Å; E91-S95 PolarHBondContact O-OG 3.46Å; E93-S95 VanDerWaalsContact C-N 3.3Å; E93-S95 PolarHBondContact O-N 3.23Å; S95-N98 PolarHBondContact O-N 3.07Å; S95-I99 PolarHBondContact O-N 2.86Å
96K65.4Low58.9Low126 Ų126121.1 Ų121.155%0.54865%0.646SS.*Hα-helixtrans-66.5-37.1176.5-70.2163.8-172166.60112.3E92 E93 S94E92-K96 WeakPolarHBondContact O-CD 3.45Å; E92-K96 VanDerWaalsContact O-CG 3.3Å; E92-K96 WeakPolarHBondContact O-CG 3.41Å; E92-K96 PolarHBondContact O-N 3.43Å; E92-K96 WeakPolarHBondContact OE1-CE 3.38Å; E92-K96 IonicContact OE1-NZ 2.73Å; E92-K96 PolarHBondContact OE1-NZ 3.17Å; E93-K96 PolarHBondContact O-N 3.27Å; S94-K96 PolarHBondContact O-N 3.24Å
97R59.2Low56.8Low171 Ų171118 Ų11865%0.64566%0.655SS**Hα-helixtrans-68.9-32.8176.1-66.3179.8-177-150.76.9112.7E93 S94E93-R97 PolarHBondContact O-N 3.39Å; E93-R97 IonicContact OE1-CZ 3.85Å; E93-R97 IonicContact OE1-NE 2.58Å; E93-R97 PolarHBondContact OE1-NE 2.94Å; E93-R97 IonicContact OE1-NH2 2.86Å; E93-R97 PolarHBondContact OE1-NH2 3.38Å; S94-R97 PolarHBondContact O-N 3.28Å
98N50.8Low55Low110 Ų110115.3 Ų115.359%0.58866%0.664SS**Hα-helixtrans-65.5-53178.5-173.8-44.5000112.1S94 S95 S100 M101S94-N98 PolarHBondContact O-N 3.25Å; S94-N98 VanDerWaalsContact O-N 3.1Å; S95-N98 PolarHBondContact O-N 3.07Å; N98-S100 PolarHBondContact O-N 3.49Å; N98-S100 VanDerWaalsContact O-N 3.15Å; N98-M101 PolarHBondContact O-N 2.73Å
99I53.5Low53.2Low136 Ų136116.9 Ų116.970%0.69768%0.675SS**Hα-helixtrans-58.8-33.2-174.4-67.5170000112.7S95 M101S95-I99 PolarHBondContact O-N 2.86Å; I99-M101 VanDerWaalsContact C-N 3.27Å; I99-M101 PolarHBondContact O-N 3.3Å
100S50.9Low51.5Low107 Ų107121 Ų12175%0.74869%0.694SS**THydrogen-bonded Turntrans-68.5-18.8-177-159.30000114.6N98N98-S100 PolarHBondContact O-N 3.49Å; N98-S100 VanDerWaalsContact O-N 3.15Å
101M50.1Low49.4Very low159 Ų159117.5 Ų117.578%0.78370%0.697SS**THydrogen-bonded Turntrans-93.6-12.7-171.8-80-60.4-5300115.1N98 I99N98-M101 PolarHBondContact O-N 2.73Å; I99-M101 VanDerWaalsContact C-N 3.27Å; I99-M101 PolarHBondContact O-N 3.3Å
102H45.8Very low48.2Very low162 Ų162118.5 Ų118.575%0.7571%0.713SS**SBendtrans-104.914.2-158.9-135.9-62000116.3
103N43Very low46.2Very low163 Ų163116.8 Ų116.887%0.87272%0.723SS**  trans-14157.5-167.6-150.921.7000114.9
104A40.6Very low44.4Very low99 Ų99117.8 Ų117.882%0.81874%0.736SS**  trans-15756.5179.400000117
105V34.7Very low43Very low158 Ų158122.9 Ų122.996%0.95875%0.752SS**  trans-144.6128.6161.9-1760000112.3
106G32.8Very low41.1Very low81 Ų81126.9 Ų126.984%0.83576%0.764SS**  trans102.2102.2149.200000117.9
107G29.1Very low39.5Very low82 Ų82128.8 Ų128.885%0.84578%0.779SS**  trans155.994165.200000115.3
108A34Very low38.2Very low88 Ų88125 Ų12573%0.72778%0.778SS**  trans-82.6172.6155.300000108.6
109M34.9Very low37.1Very low161 Ų161125.9 Ų125.979%0.79379%0.793SS**  cis-161.2176.623.236.3-96.4171.300111.5
110T34.8Very low36Very low145 Ų145124 Ų12489%0.8980%0.798SS**  trans85.2144.3170.874.20000117.7
111G29.4Very low34.9Very low69 Ų69130.4 Ų130.471%0.71181%0.806SS**  trans-130.8-145.3178.900000110.6
112P46.1Very low34.1Very low136 Ų136130.5 Ų130.588%0.88381%0.808SS**  cis-138.9173.911.242.7-25.5000117.2
113G30.1Very low34.2Very low68 Ų68128.3 Ų128.370%0.70181%0.809SS**  trans103.2150.7152.200000117.9
114T31.9Very low33.6Very low119 Ų119126.4 Ų126.473%0.7380%0.798SS**  cis-163.3152-11.241.50000110.5
115H34.8Very low33.3Very low174 Ų174128.5 Ų128.581%0.80679%0.791SS**  trans62.2122172-51.7-73000116.4
116Q31.8Very low33Very low151 Ų151127.7 Ų127.771%0.70678%0.781SS**  cis75.4104.212-140-87.696.500116.6S118Q116-S118 PolarHBondContact OE1-OG 3.11Å
117L32.1Very low33.1Very low166 Ų166129.1 Ų129.187%0.86977%0.774SS**  trans-153.3161.4142.9-112.5176.1000109.9
118S31.4Very low33.2Very low91 Ų91130.9 Ų130.964%0.63677%0.773SS**  trans-151.7166.1-161.846.80000113.3Q116Q116-S118 PolarHBondContact OE1-OG 3.11Å
119S27.7Very low33.2Very low128 Ų128133 Ų13390%0.89578%0.777SS**  trans-158.9142.3166-84.70000111.4
120A29.4Very low33.1Very low96 Ų96131 Ų13179%0.79377%0.773SS**  trans-151.2155.7-178.500000111
121R27.4Very low32.9Very low243 Ų243131.3 Ų131.392%0.91777%0.768SS**  trans-158134.2153.9-143.2163.2-79.4-123.30.3112.8
122L33.8Very low32.9Very low160 Ų160136.5 Ų136.584%0.83877%0.774SS**  trans-92.6171.1164.9-66.6168.3000107.8
123P47.8Very low32.1Very low117 Ų117139.5 Ų139.576%0.7678%0.776SS**  -151.1-166.258.247.6-25.5000113.4
124N31Very low32.1Very low122 Ų122140.7 Ų140.765%0.65278%0.779SS**  cis-153.4158.6-0.2-151.79.5000111.7
125H33.8Very low32.2Very low144 Ų144142.9 Ų142.967%0.66778%0.783SS**  trans27.2146.3153.671.98.8000121
126D28.7Very low32.4Very low141 Ų141140.6 Ų140.675%0.75478%0.784SS**  -147.1-168.252.6-142.1-39.1000114.9
127T35.6Very low32.6Very low110 Ų110138.1 Ų138.168%0.67578%0.783SS**  trans-121.9138.4-141.9-39.60000112.6
128S30.1Very low33.6Very low120 Ų120135.2 Ų135.284%0.83977%0.774SS**  171.6169.4119.848.90000111.8
129V33.7Very low33.5Very low131 Ų131139.7 Ų139.779%0.79479%0.785SS**  trans-121.3155.7-159.9-176.60000109.5
130V33.1Very low33.6Very low120 Ų120139.8 Ų139.873%0.72779%0.786SS**  trans160.9127.3132.51570000114.2
131I31.4Very low33.8Very low151 Ų151140.4 Ų140.477%0.77478%0.784SS**  trans65.198.5155.4-69.5167.1000121
132Q30Very low34Very low179 Ų179134.6 Ų134.684%0.83678%0.781SS**  36.6121.4110.7-169.714759.400122.7
133Q29.2Very low34Very low199 Ų199133.2 Ų133.293%0.9378%0.779SS**  -153.4-172.6129.6-154.513419.600111.1
134A28.9Very low33.5Very low93 Ų93134.9 Ų134.977%0.76978%0.78SS**  trans-121.6171.5-157.700000116.6
135M34Very low33.7Very low165 Ų165135.3 Ų135.381%0.81379%0.787SS**  trans-51.4157.5170.5-68.8-66.7-78.200113.3
136P40.3Very low33.6Very low125 Ų125137.1 Ų137.181%0.81280%0.796SS**  cis-144.3-165.242.542.8-21.9000117.7
137S34.7Very low33.7Very low100 Ų100134.7 Ų134.770%0.69980%0.795SS**  trans-136.2172.9-176.7-174.10000108.1
138P52.9Low33.7Very low105 Ų105135.5 Ų135.568%0.68280%0.803SS**  cis-123.3-176.1-1232-12.6000112.8
139Q30.7Very low33.8Very low185 Ų185135.6 Ų135.686%0.86480%0.803SS**  163.1144.9127.5-90.2178.52.300112.4
140S29.1Very low33.9Very low129 Ų129136.3 Ų136.390%0.90281%0.808SS**  trans-133.5122.8170.3-550000109.3
141S33.6Very low34Very low109 Ų109136.9 Ų136.976%0.76281%0.807SS**  trans-124.1130.2-178.248.40000111.8
142S31.6Very low34Very low121 Ų121141.3 Ų141.385%0.84681%0.814SS**  trans-73.8135.6178-53.60000111.2
143V34.4Very low34.1Very low132 Ų132140.3 Ų140.380%0.881%0.809SS**  trans-92.5119.4175178.90000109.9
144I36.7Very low34.2Very low151 Ų151138.6 Ų138.677%0.77481%0.805SS**  trans-105.1119168.8-62.7173.9000107.6
145T34.3Very low34.5Very low131 Ų131137.3 Ų137.380%0.80480%0.801SS**PPolyproline II helixtrans-77.2125.9-179.4-48.60000110.9
146Q32.9Very low35.1Very low182 Ų182135.7 Ų135.785%0.8580%0.802SS**PPolyproline II helixtrans-83.2148.2177.8-60.1178.619.100111.6
147A31.7Very low35.2Very low90 Ų90136.2 Ų136.274%0.74480%0.803SS**PPolyproline II helixtrans-96143.5166.400000110.4
148P34.4Very low35.7Very low128 Ų128137.4 Ų137.483%0.83181%0.808SS**PPolyproline II helixtrans-74134.5-177.629.3-34.5000112.5
149S31.3Very low34.6Very low122 Ų122135.8 Ų135.885%0.85381%0.811SS**PPolyproline II helixtrans-70.3145.9178.3-60.50000113.2
150T37Very low34.8Very low145 Ų145132.1 Ų132.189%0.8981%0.806SS**  trans-107150.4160.252.70000110.9
151N34.3Very low35Very low133 Ų133133.9 Ų133.971%0.71180%0.804SS**  trans-85.2129.4-162178.83.9000113.3
152R33.2Very low35.1Very low243 Ų243134.1 Ų134.192%0.91781%0.806SS**  trans-139.8142.5153.5-85.1-165.5168.9-125.5-3.5111.2
153Q30.9Very low35.1Very low159 Ų159134.1 Ų134.174%0.74381%0.806SS**  trans-99.9134.6-172.2-67.9168.7-63.100113.1
154I31.8Very low35Very low163 Ų163134.8 Ų134.884%0.83680%0.804SS**  trans52.6118.7134.9-52.1169000118.8
155G33.8Very low35.3Very low66 Ų66135 Ų13568%0.6881%0.806SS**  trans-178.5123.1159.600000112.1
156P48.5Very low35.4Very low130 Ų130138 Ų13884%0.84481%0.811SS**  trans-88.8156.1-174.434.2-35000114.6
157V41.4Very low35.6Very low136 Ų136137.3 Ų137.382%0.82481%0.812SS**  trans-101.3143.5-179.4-178.60000110.5
158P45.1Very low35.7Very low125 Ų125140.4 Ų140.481%0.81281%0.811SS**  -149.5129.4125.133.5-15.1000116.5
159G30.6Very low35.7Very low72 Ų72140.6 Ų140.674%0.74281%0.805SS**  trans78.7169.4153.600000118.6
160S33.3Very low35.6Very low108 Ų108145.7 Ų145.776%0.75581%0.805SS**  cis-166.4167-16.8-159.50000112.1
161L33.4Very low35.3Very low165 Ų165146.3 Ų146.386%0.86480%0.798SS**  trans72.6145.7163.2-55-175.5000120.9
162S35.8Very low35.3Very low115 Ų115151.3 Ų151.380%0.80481%0.807SS**  trans-97.6140.7177.5-37.70000112.2
163S31.9Very low35.2Very low120 Ų120147.4 Ų147.484%0.83980%0.799SS**  trans169.4162.5155.1-85.60000109.7
164L32.7Very low36.1Very low147 Ų147144.6 Ų144.677%0.7780%0.795SS**  cis-168.5159.8-28.8-172.7138.8000104.7
165L43Very low36Very low156 Ų156144.6 Ų144.682%0.81779%0.793SS**  trans-47.4139.4179.1-67.5163.9000113.8
166H36.4Very low36.6Very low194 Ų194147.4 Ų147.490%0.89880%0.799SS**  trans-154.9126.5143.4-104.286.3000111.1
167L36.6Very low35.8Very low166 Ų166145.4 Ų145.487%0.86979%0.793SS**  trans-96.6135.8175.5-171.180.9000109.2
168H34.1Very low35.4Very low156 Ų156144.7 Ų144.772%0.72280%0.795SS**  trans-133.498170-168.7-77000113.2
169N33.9Very low35Very low132 Ų132147.2 Ų147.271%0.70680%0.798SS**  trans-60.3139.9168.8179.9-5.2000111.2
170R29.7Very low35.6Very low228 Ų228149.7 Ų149.786%0.8680%0.801SS**  trans-141.9139.8170.5-140.4174.6-171.7-163.52.1113.1
171Q31.1Very low35.5Very low159 Ų159148.2 Ų148.274%0.74380%0.803SS**  trans-128.3124.3-158.3178.5-173.97.200112.7
172R34Very low35.6Very low238 Ų238147 Ų14790%0.89880%0.802SS**  trans-149.9124.7151.9-69.8-161.6-168.4-83.58.1106.2
173Q31.6Very low35.4Very low161 Ų161149 Ų14975%0.75280%0.803SS**  73.5129.464.5-67.4-7110.100113.4
174P48.7Very low36.3Very low100 Ų100149.3 Ų149.365%0.64980%0.802SS**  trans-125-164.5-158.739-19.4000115.3
175M30.1Very low36.3Very low163 Ų163148.3 Ų148.380%0.80380%0.798SS**  trans81.6159.1171.3-49.8-52.2-74.500116.1
176P45.9Very low36.6Very low124 Ų124146.4 Ų146.481%0.80579%0.794SS**  cis-120.1-173.61.341.7-28000114.8
177A31.7Very low36.4Very low88 Ų88142.6 Ų142.673%0.72779%0.785SS**  trans-109.1164179.300000112.8
178S33.1Very low36.3Very low122 Ų122143 Ų14385%0.85379%0.785SS**  trans-145.6147.8167.9-720000111.7
179M37.4Very low36.8Very low178 Ų178140.8 Ų140.888%0.87778%0.784SS**  trans-129.8179.7177.9-69.7-83.1-75.700107.9
180P44Very low36.7Very low124 Ų124138.2 Ų138.281%0.80579%0.789SS**  cis-122.1-173.6-21.126.2-4.2000112
181G31.3Very low36.8Very low77 Ų77133.5 Ų133.579%0.79479%0.791SS**  trans-153.2144.3168.400000112.4
182T34.1Very low36.9Very low139 Ų139131.3 Ų131.385%0.85379%0.793SS**  trans-109.6144.8-170.150.50000114.3
183L32.2Very low36.7Very low156 Ų156124.9 Ų124.982%0.81779%0.791SS**  trans7.4139.8146.8-73.1175.4000118.8
184P50Low36.8Very low127 Ų127123.8 Ų123.883%0.82580%0.795SS**  -141.2176.163.439.1-21.7000118.2
185N34.1Very low36.1Very low126 Ų126125.8 Ų125.867%0.67480%0.799SS**  trans-98.6142.9-175.7168.645.3000112.7
186P47.9Very low36.2Very low116 Ų116126 Ų12675%0.75380%0.801SS**  trans-111.4121.415734.6-23.9000113.2
187T32.7Very low36.4Very low115 Ų115125.3 Ų125.371%0.70680%0.796SS**  trans-65142176.7-54.40000113.9
188M35.9Very low36.5Very low175 Ų175129.3 Ų129.386%0.86280%0.802SS**  trans-138.8144148.9-84.2-60.5-77.500110.8
189P43.4Very low36.5Very low108 Ų108132.4 Ų132.470%0.70180%0.802SS**  trans-86151.5-173.634.4-35.7000113.3
190G31.5Very low36.6Very low78 Ų78135 Ų13580%0.80480%0.802SS**  trans-102.8144.2168.500000112
191S31.6Very low36Very low130 Ų130137.5 Ų137.591%0.90980%0.803SS**  trans-116.9110.5171.3-67.20000109.6
192S33.5Very low36Very low113 Ų113141.2 Ų141.279%0.7980%0.802SS**  trans-94.5140.7172.5-166.90000110.2
193A31.2Very low35.9Very low102 Ų102140.2 Ų140.284%0.84380%0.801SS**  trans-76.1137.3178.300000111.3
194V32.6Very low36.1Very low138 Ų138138.3 Ų138.384%0.83680%0.795SS**  trans-121.9148.6177.2177.60000109.9
195L34Very low35.2Very low143 Ų143140.5 Ų140.575%0.74980%0.8SS**  trans-77.5155.3-170.6-59.1154.4000113.1
196M31.9Very low35.1Very low168 Ų168140 Ų14083%0.82881%0.806SS**  162.9165.3113.6-83.1-49.4177.500112.9
197P50.4Low34.6Very low108 Ų108140.3 Ų140.370%0.70181%0.811SS**  trans-120171.5-156.243.8-34.3000115.9
198M34.5Very low34.8Very low173 Ų173142.8 Ų142.885%0.85282%0.819SS**  trans-168.9161.5160.2-98151.2-170.900106.5
199E32.9Very low35.1Very low187 Ų187143.3 Ų143.387%0.87482%0.821SS**  cis-173.4-164.3-30.1-120.6-176.4-134.400105.3
200R38.5Very low34.7Very low232 Ų232141.4 Ų141.488%0.87582%0.821SS**  trans-117.2132.1-163.8167.9-160.9176.997.3-3.5112.6
201Q32.6Very low34.9Very low177 Ų177144.9 Ų144.983%0.82782%0.818SS**  trans-158.7176.4150.5-112.4177.71500114.5
202M30.2Very low34.9Very low154 Ų154147 Ų14776%0.75981%0.814SS**  trans-100165.1-162.859.1-90.5153.100115.3
203S32.9Very low34.7Very low119 Ų119145 Ų14583%0.83281%0.811SS**  trans-146.1163.7149.9-165.80000110.5
204V36.1Very low35.6Very low116 Ų116146.1 Ų146.170%0.70381%0.81SS**  trans-114.7145.7-167.9-68.60000112.8
205N31.7Very low35.6Very low172 Ų172146.2 Ų146.292%0.9281%0.806SS**PPolyproline II helixtrans-95.7125.8167.5-83.8-12.8000109.9
206S31.8Very low35.6Very low115 Ų115146.7 Ų146.780%0.80481%0.808SS**PPolyproline II helixtrans-98.2131.8177.3-62.80000111.6
207S36.7Very low35.6Very low123 Ų123143.7 Ų143.786%0.8680%0.804SS**PPolyproline II helixtrans-87.7142.1168.5-59.80000110.9
208I37.9Very low34.7Very low168 Ų168146 Ų14686%0.86281%0.81SS**  trans-145.5147.9165.7-165.960.5000110.4
209M40.7Very low35.5Very low186 Ų186143 Ų14392%0.91680%0.803SS**  trans-111.4155179-66.2179.5-80.100110.3
210G34.9Very low35.2Very low68 Ų68139.9 Ų139.970%0.70180%0.801SS**  trans163.1100.8158.300000119.6
211M35.7Very low34.7Very low150 Ų150133.6 Ų133.674%0.73980%0.799SS**  trans61121135.1-46.2-52.7-9500123.2
212Q31.8Very low34.6Very low175 Ų175130.9 Ų130.982%0.81880%0.799SS**  42.2125.9126.6-55.8169.20.200118.5
213G29.6Very low35.4Very low72 Ų72129.4 Ų129.474%0.74280%0.801SS**  cis137.3-179.539.800000107.9
214P50.6Low35.3Very low124 Ų124132.6 Ų132.681%0.80580%0.803SS**  cis-133.3165.6-0.743-26.5000117
215N33.1Very low35.3Very low140 Ų140133.8 Ų133.875%0.74981%0.81SS**  trans34.5128.3143.5-137.9-76.2000123.4
216L33.7Very low35.5Very low153 Ų153133.3 Ų133.380%0.80180%0.802SS**  -170.8130.3114.6-100.8172.4000115
217S31.5Very low36Very low106 Ų106132.6 Ų132.674%0.74180%0.795SS**  trans38.7127.9155.753.60000123.9
218N31.8Very low36.5Very low156 Ų156133 Ų13383%0.83479%0.785SS**  trans-87.4-174.4166.6-137.312.6000110.3
219P50.3Low36.9Very low109 Ų109133.1 Ų133.171%0.70878%0.782SS**  cis-144.6175.29.644.8-25000119.9
220C26.6Very low37.6Very low123 Ų123128.4 Ų128.483%0.83177%0.767SS**  trans75.7100143.8-157.40000122.2
221A29.4Very low39Very low100 Ų100129 Ų12983%0.82675%0.752SS**  -165.9160.8125.600000110.7
222S30.8Very low40.3Very low119 Ų119124.8 Ų124.883%0.83274%0.74SS**  trans-157.5167179.8-122.10000110.6
223P45.5Very low41.9Very low123 Ų123124.3 Ų124.380%0.79974%0.736SS**  cis-125.6167.13.340.5-26.3000115.3
224Q31.2Very low43.5Very low187 Ų187127.9 Ų127.987%0.87474%0.735SS**  trans-117.9143.3169.2-166.9172.11.300110.6
225V36.3Very low44.2Very low141 Ų141130.3 Ų130.386%0.85573%0.728SS**  trans-74.1137.8-166.9-179.90000112.9
226Q35.1Very low45.5Very low161 Ų161129.6 Ų129.675%0.75272%0.723SS**  trans-94.3148.9175.6-76.7-73.2-8.900112.7M228Q226-M228 PolarHBondContact O-N 2.92Å
227P43.1Very low46.7Very low101 Ų101130 Ų13066%0.65672%0.719SS**  trans-73.8112.4-177.2-16.531.9000113.8H229P227-H229 PolarHBondContact O-N 3.48Å
228M46.5Very low47.8Very low132 Ų132127.5 Ų127.565%0.6570%0.704SS**THydrogen-bonded Turntrans-64.26.5-175.8-80.1-104.264.100117.2Q226 E231Q226-M228 PolarHBondContact O-N 2.92Å; M228-E231 HydrophobicContact CE-CB 4.35Å; M228-E231 WeakPolarHBondContact CE-OE2 3.48Å
229H46Very low48.9Very low169 Ų169123.1 Ų123.178%0.78269%0.689SS**THydrogen-bonded Turntrans-85.5-13.7-162.4-142.4-46.6000115.8P227P227-H229 PolarHBondContact O-N 3.48Å
230S57Low48.9Very low87 Ų87124.1 Ų124.161%0.60869%0.688SS**THydrogen-bonded Turntrans-87.3-46.1179.853.70000112.8K233S230-K233 PolarHBondContact O-N 3.31Å
231E63.2Low50.2Low81 Ų81123 Ų12338%0.37968%0.678SS.*Hα-helixtrans-65.4-43.2-171.3-161.6-157129.800112.7M228 K233 M234 R235M228-E231 HydrophobicContact CE-CB 4.35Å; M228-E231 WeakPolarHBondContact CE-OE2 3.48Å; E231-K233 PolarHBondContact O-N 2.82Å; E231-M234 WeakPolarHBondContact O-CB 3.4Å; E231-M234 PolarHBondContact O-N 2.92Å; E231-R235 PolarHBondContact O-N 2.91Å; E231-R235 WeakPolarHBondContact OE1-CD 3.43Å; E231-R235 IonicContact OE1-CZ 3.18Å; E231-R235 IonicContact OE1-NE 2.62Å; E231-R235 IonicContact OE1-NH1 2.64Å; E231-R235 PolarHBondContact OE1-NH1 3.22Å
232A62.9Low51Low61 Ų61125.9 Ų125.950%0.50467%0.674SS.*Hα-helixtrans-55.7-36.217800000112.4R235 L236A232-R235 PolarHBondContact O-N 2.94Å; A232-L236 WeakPolarHBondContact O-CB 3.36Å; A232-L236 PolarHBondContact O-N 3.48Å
233K64.9Low51.5Low165 Ų165127.9 Ų127.972%0.71767%0.67SS**Hα-helixtrans-72.5-28.1178.5-165.7168.466.4-179.50112.8S230 E231 K237S230-K233 PolarHBondContact O-N 3.31Å; E231-K233 PolarHBondContact O-N 2.82Å; K233-K237 PolarHBondContact O-N 3.38Å
234M64.4Low51.3Low147 Ų147128 Ų12872%0.72467%0.671SS**Hα-helixtrans-74.8-45.6171.5-66.6-123-67.500111.3E231 L236 K237 A238E231-M234 WeakPolarHBondContact O-CB 3.4Å; E231-M234 PolarHBondContact O-N 2.92Å; M234-L236 VanDerWaalsContact C-N 3.32Å; M234-L236 PolarHBondContact O-N 2.76Å; M234-K237 PolarHBondContact O-N 3.14Å; M234-K237 VanDerWaalsContact O-N 3.11Å; M234-A238 PolarHBondContact O-N 3.3Å
235R65.9Low51.5Low176 Ų176123.7 Ų123.766%0.66467%0.667SS**Hα-helixtrans-59.2-42177.2-69.4179.6119.4157.7-8.9111.8E231 A232 K237 A238 A239E231-R235 PolarHBondContact O-N 2.91Å; E231-R235 WeakPolarHBondContact OE1-CD 3.43Å; E231-R235 IonicContact OE1-CZ 3.18Å; E231-R235 IonicContact OE1-NE 2.62Å; E231-R235 IonicContact OE1-NH1 2.64Å; E231-R235 PolarHBondContact OE1-NH1 3.22Å; A232-R235 PolarHBondContact O-N 2.94Å; R235-K237 VanDerWaalsContact C-N 3.35Å; R235-K237 PolarHBondContact O-N 3.27Å; R235-A238 PolarHBondContact O-N 2.88Å; R235-A239 PolarHBondContact O-N 3.49Å; R235-A239 VanDerWaalsContact O-N 3.16Å
236L58.9Low51.6Low124 Ų124121.6 Ų121.665%0.64967%0.665SS**Hα-helixtrans-62.9-39175.1-153.982.1000112.5A232 M234 A239 L240A232-L236 WeakPolarHBondContact O-CB 3.36Å; A232-L236 PolarHBondContact O-N 3.48Å; M234-L236 VanDerWaalsContact C-N 3.32Å; M234-L236 PolarHBondContact O-N 2.76Å; L236-A239 PolarHBondContact O-N 3.2Å; L236-L240 VanDerWaalsContact O-CD1 3.25Å; L236-L240 WeakPolarHBondContact O-CD1 3.38Å; L236-L240 PolarHBondContact O-N 3.32Å
237K58.7Low51.6Low163 Ų163123.2 Ų123.271%0.70968%0.675SS**Hα-helixtrans-71.8-35.2-179.9-168.7168.1-177.4178.20112.7K233 M234 R235 T241K233-K237 PolarHBondContact O-N 3.38Å; M234-K237 PolarHBondContact O-N 3.14Å; M234-K237 VanDerWaalsContact O-N 3.11Å; R235-K237 VanDerWaalsContact C-N 3.35Å; R235-K237 PolarHBondContact O-N 3.27Å; K237-T241 PolarHBondContact O-OG1 3.42Å
238A55Low51.3Low53 Ų53123.8 Ų123.844%0.43868%0.681SS.*Hα-helixtrans-67.5-34.4174.200000112.8M234 R235 T241 H242M234-A238 PolarHBondContact O-N 3.3Å; R235-A238 PolarHBondContact O-N 2.88Å; A238-T241 PolarHBondContact O-N 2.99Å; A238-T241 PolarHBondContact O-OG1 2.92Å; A238-H242 PolarHBondContact O-CD2 3.46Å
239A55.4Low51.1Low63 Ų63125.2 Ų125.252%0.52169%0.691SS.*Hα-helixtrans-64.3-39.1176.600000112.8R235 L236 T241R235-A239 PolarHBondContact O-N 3.49Å; R235-A239 VanDerWaalsContact O-N 3.16Å; L236-A239 PolarHBondContact O-N 3.2Å; A239-T241 VanDerWaalsContact C-N 3.31Å; A239-T241 PolarHBondContact O-N 3.26Å
240L49.3Very low50.8Low130 Ų130120.1 Ų120.168%0.68169%0.685SS**Hα-helixtrans-72.8-17.9179.6-88.783.5000114.2L236L236-L240 VanDerWaalsContact O-CD1 3.25Å; L236-L240 WeakPolarHBondContact O-CD1 3.38Å; L236-L240 PolarHBondContact O-N 3.32Å
241T54.5Low50Low101 Ų101122.6 Ų122.662%0.6269%0.691SS**THydrogen-bonded Turntrans-84.4-2.5-17640.20000115.4K237 A238 A239K237-T241 PolarHBondContact O-OG1 3.42Å; A238-T241 PolarHBondContact O-N 2.99Å; A238-T241 PolarHBondContact O-OG1 2.92Å; A239-T241 VanDerWaalsContact C-N 3.31Å; A239-T241 PolarHBondContact O-N 3.26Å
242H45.3Very low49.3Very low160 Ų160127.1 Ų127.174%0.74171%0.714SS**THydrogen-bonded Turntrans-106.24.6-174.6-81.4-69.7000116.1A238A238-H242 PolarHBondContact O-CD2 3.46Å
243H41.5Very low48.9Very low160 Ų160130.2 Ų130.274%0.74172%0.722SS**SBendtrans-86.7123.5170.1-76-84.1000111
244P41.4Very low48.3Very low126 Ų126128.3 Ų128.382%0.81872%0.724SS**PPolyproline II helixtrans-68.6152.4177.529.1-34.7000111.6
245A36.8Very low48Very low97 Ų97128.5 Ų128.580%0.80273%0.726SS**PPolyproline II helixtrans-88.2153.8-16800000114.8
246A36.9Very low47.4Very low97 Ų97122.6 Ų122.680%0.80272%0.719SS**  trans63.6112.3154.800000119.6
247M35.5Very low46.9Very low195 Ų195122.6 Ų122.696%0.96172%0.716SS**  trans-129.2165.2136.9-73.8-15180.300110.2
248S37.8Very low46.5Very low112 Ų112121.4 Ų121.478%0.78371%0.714SS**  trans-77.2139.8-157.8-171.80000116G250S248-G250 PolarHBondContact O-N 3.2Å
249N41.9Very low46.6Very low162 Ų162126.6 Ų126.687%0.86673%0.731SS**  trans-0.1109.2145.8-176.732.7000117.4
250G38.8Very low46.4Very low63 Ų63130.1 Ų130.165%0.64974%0.737SS**  trans169.7127.2164.500000116.5S248S248-G250 PolarHBondContact O-N 3.2Å
251N40.1Very low46.5Very low139 Ų139131.6 Ų131.674%0.74374%0.743SS**  trans60.8127.2156.1-157.621.6000120.1N253N251-N253 PolarHBondContact ND2-ND2 3.4Å
252M49.4Very low46.4Very low175 Ų175135.3 Ų135.386%0.86276%0.755SS**  trans-99.488.1179.8-69.7-176.569.300112.7
253N54Low46.7Very low126 Ų126131 Ų13167%0.67475%0.754SS**  trans-124.543.8-179.6-90.5-12.2000114.3N251 M255N251-N253 PolarHBondContact ND2-ND2 3.4Å; N253-M255 PolarHBondContact O-N 2.97Å
254T53.2Low46.9Very low125 Ų125128.7 Ų128.777%0.76776%0.755SS**THydrogen-bonded Turntrans-71.6-8.1-174.8-28.30000115.2
255M57.8Low46.8Very low152 Ų152134.7 Ų134.775%0.74976%0.762SS**THydrogen-bonded Turntrans-85.1-17.2-176.8-174.3156.4-8300114.4N253 M258N253-M255 PolarHBondContact O-N 2.97Å; M255-M258 VanDerWaalsContact O-CG 3.22Å; M255-M258 WeakPolarHBondContact O-CG 3.39Å
256G53.3Low46.6Very low51 Ų51139.3 Ų139.353%0.52677%0.767SS.*SBendtrans-73.2-45.6178.800000113.3M258 M259G256-M258 VanDerWaalsContact C-N 3.27Å; G256-M258 PolarHBondContact O-N 2.92Å; G256-M259 WeakPolarHBondContact O-CB 3.38Å; G256-M259 PolarHBondContact O-N 3.04Å
257H49Very low46.5Very low125 Ų125141.5 Ų141.558%0.57977%0.765SS**Hα-helixtrans-64.3-27.5-168.7-165.247.9000114.1M259 E260H257-M259 PolarHBondContact O-N 3.38Å; H257-E260 IonicContact ND1-OE2 3.63Å; H257-E260 PolarHBondContact ND1-OE2 3.23Å; H257-E260 PolarHBondContact O-N 3.35Å
258M50.2Low46.4Very low137 Ų137141.2 Ų141.268%0.67576%0.761SS**Hα-helixtrans-69.6-17.1174.357.1172.9-81.200114.1M255 G256M255-M258 VanDerWaalsContact O-CG 3.22Å; M255-M258 WeakPolarHBondContact O-CG 3.39Å; G256-M258 VanDerWaalsContact C-N 3.27Å; G256-M258 PolarHBondContact O-N 2.92Å
259M56.7Low46.1Very low162 Ų162142.1 Ų142.180%0.79876%0.762SS**Hα-helixtrans-92.3-15-179.4-136.9165.4-170.500112.8G256 H257G256-M259 WeakPolarHBondContact O-CB 3.38Å; G256-M259 PolarHBondContact O-N 3.04Å; H257-M259 PolarHBondContact O-N 3.38Å
260E52Low46.1Very low137 Ų137139.7 Ų139.764%0.6476%0.755SS**Hα-helixtrans-85.5-36.8-173.1-167.2170.7-158.500112.6H257 M262 G263H257-E260 IonicContact ND1-OE2 3.63Å; H257-E260 PolarHBondContact ND1-OE2 3.23Å; H257-E260 PolarHBondContact O-N 3.35Å; E260-M262 PolarHBondContact O-N 3.46Å; E260-M262 VanDerWaalsContact O-N 3.09Å; E260-G263 PolarHBondContact O-N 2.82Å
261M50.9Low46Very low162 Ų162145 Ų14580%0.79876%0.763SS**THydrogen-bonded Turntrans-70.3-5.1-177.7-64.9-149.1-65.500115.3
262M51.5Low45.6Very low179 Ų179148 Ų14888%0.88277%0.772SS**THydrogen-bonded Turntrans-96.1-7.5172.6-72.3-82.9-7900112.9E260E260-M262 PolarHBondContact O-N 3.46Å; E260-M262 VanDerWaalsContact O-N 3.09Å
263G52.4Low44.9Very low69 Ų69147.1 Ų147.171%0.71177%0.765SS**SBendtrans-96.2-5.3-166.500000117E260E260-G263 PolarHBondContact O-N 2.82Å
264S45.5Very low44.1Very low111 Ų111147 Ų14778%0.77676%0.762SS**  trans-143.686.9-171.7-167.60000114
265R38.9Very low43.3Very low252 Ų252149 Ų14995%0.95176%0.763SS**  trans-144.5138.2153.2-86.6-159.5158.6-112.3-9.3111.8
266Q33.5Very low41.9Very low195 Ų195146.9 Ų146.991%0.91176%0.763SS**  trans9274.8157.3-158.8163.1-7.200118.6
267D33.2Very low41.1Very low142 Ų142153.1 Ų153.176%0.75978%0.778SS**  -135.4139.2127.2-155.9-43.3000109.4
268Q33.9Very low41.6Very low190 Ų190151.3 Ų151.389%0.88878%0.777SS**  trans-169.495.9170.7-95-163.7110.500109.3
269T31.2Very low41Very low130 Ų130152.6 Ų152.680%0.79878%0.781SS**  trans-142.6150.515149.30000110.6
270P42.3Very low40Very low112 Ų112152.2 Ų152.273%0.72778%0.778SS**  trans-108.6149.1-161.68.215.2000115.3
271H36.1Very low39.3Very low173 Ų173152.9 Ų152.980%0.80178%0.78SS**  trans32123.6149.4-60.4-75.1000121.4
272H32.8Very low38.6Very low202 Ų202151.9 Ų151.994%0.93577%0.774SS**  -148.3161.8125.7-94.7-65.9000110.6
273H35.3Very low37.8Very low157 Ų157149 Ų14973%0.72777%0.767SS**  trans-158125.9-162.2177.975.4000111.1
274M36.4Very low37Very low124 Ų124153.3 Ų153.361%0.61177%0.772SS**  trans161.6144.2132-85.3-84.36600116.3
275H36.8Very low37.1Very low167 Ų167153.4 Ų153.477%0.77377%0.77SS**  trans59.9137.3154.9-79.978.3000119.5
276S28.1Very low37.8Very low108 Ų108146.4 Ų146.476%0.75576%0.757SS**  cis-150.6-154.430.452.90000114.6
277H37.4Very low37.7Very low181 Ų181146.5 Ų146.584%0.83876%0.758SS**  trans-134.3176.7-161.2-107.540000111.5
278P59.1Low38Very low88 Ų88148.5 Ų148.557%0.57176%0.762SS**  cis-141.3-155.4-28.141.1-20.8000114
279H37.6Very low38.5Very low164 Ų164145.7 Ų145.776%0.75976%0.76SS**  trans108.9141.1165.7-57.7-51.4000116.2
280Q34.9Very low38.6Very low154 Ų154148.6 Ų148.672%0.7276%0.758SS**  cis-158.6173.8-13.8-107.5-60.35.500111.6
281H37.5Very low39.1Very low150 Ų150149.2 Ų149.269%0.69476%0.762SS**  trans-65.4168.4174.6-74.2167.2000116.3
282Q36.3Very low39.1Very low142 Ų142148.7 Ų148.766%0.66476%0.759SS**  cis-161.5-162.5-13.2-101.8176.434.700107
283T35.7Very low39.2Very low119 Ų119146.9 Ų146.973%0.7375%0.751SS**  cis-157.4-154.815.9-27.30000111.8
284L33.8Very low39.2Very low158 Ų158146.2 Ų146.283%0.82775%0.748SS**  trans-142.8179.5-174.3-110.381.1000109.6
285P47.7Very low39Very low114 Ų114147.9 Ų147.974%0.7475%0.754SS**  cis-139.9-130.4-30.845.2-22.8000114
286P54Low39.1Very low104 Ų104148 Ų14868%0.67576%0.755SS**  trans-133.8175.5-141.841.4-17.7000119.4
287H32.3Very low40.1Very low198 Ų198149.1 Ų149.192%0.91776%0.76SS**  trans-152.6159.3166.4-84.8-72.6000116.1
288H38.9Very low39.9Very low184 Ų184144.2 Ų144.285%0.85275%0.75SS**  trans-114.5165.8171.8-92.2-40.3000109.2
289P44.9Very low38.8Very low130 Ų130148.4 Ų148.484%0.84476%0.762SS**  -156-156.755.844.1-19.6000118.2
290Y33.6Very low38.9Very low192 Ų192149.3 Ų149.375%0.75377%0.766SS**  trans-80.1165.2-172.4-117.1-100.2000116.3
291P52Low39.7Very low124 Ų124147.1 Ų147.181%0.80577%0.765SS**  -147.4-174.6101.237.9-19.3000116.9
292H37Very low39.6Very low163 Ų163147.7 Ų147.776%0.75577%0.768SS**  trans-108.2162-169-60.1-103.5000116
293Q34.9Very low40.5Very low163 Ų163145.9 Ų145.976%0.76277%0.768SS**  155.4152.2108.6-82.2-147.8-600117.8
294H33.5Very low40.7Very low144 Ų144148.3 Ų148.367%0.66777%0.771SS**  trans53.8141.4154-7795.7000120.5
295Q33.9Very low41.4Very low159 Ų159146 Ų14674%0.74377%0.765SS**  cis-175160.148.3-168.664.652.400111.1
296H38.3Very low41.1Very low169 Ų169149.5 Ų149.578%0.78277%0.772SS**  trans-100.5161.3167.9-71.8-87.1000113.2
297P48.4Very low40.4Very low132 Ų132152.4 Ų152.486%0.85778%0.776SS**  -140.3-172.1115.236.6-21.6000114.6
298A34.3Very low40.6Very low77 Ų77149.3 Ų149.364%0.63676%0.762SS**  trans-148-174.1-162.900000116
299H35.4Very low40.5Very low176 Ų176150 Ų15082%0.81577%0.766SS**  trans81.6133.2173.9-43.9-75.3000116.3
300H38.8Very low39.9Very low184 Ų184149.9 Ų149.985%0.85276%0.758SS**  cis82.9151.740-90.459.7000115.2
301P52.6Low40.1Very low107 Ų107149.6 Ų149.670%0.69576%0.763SS**  cis-144.4179.41242.4-23000119.9
302H34.5Very low40Very low162 Ų162149.4 Ų149.475%0.7576%0.762SS**  trans76.8161.5144.2-119.436.6000121.9
303P55.4Low40.2Very low104 Ų104150.3 Ų150.368%0.67577%0.766SS**  cis-127.4149.7-9.31114.4000118.6
304Q40.2Very low40.3Very low171 Ų171151.6 Ų151.680%0.79977%0.772SS**  trans49.8165.8141.1-84.3-147.5-22.700124.5
305P49.3Very low40.4Very low108 Ų108152.9 Ų152.970%0.70178%0.778SS**  cis-124.4-179-7.732.8-13.4000115.2
306H40.8Very low40.4Very low188 Ų188149 Ų14987%0.8777%0.768SS**  trans-120.9153.4176.8-73.5-84.6000113.3
307H38.6Very low40.3Very low166 Ų166149.9 Ų149.977%0.76977%0.772SS**  trans-146.5113.6143.7-139.373.8000116
308Q37.3Very low39.8Very low133 Ų133149.6 Ų149.662%0.62177%0.773SS**  trans6137151.2-51.6-171.398.300122.4
309Q37.5Very low39.9Very low199 Ų199154.3 Ų154.393%0.9378%0.782SS**  -149.4159.2104.1-133178.513.200111.6
310N32Very low40.2Very low127 Ų127152 Ų15268%0.67978%0.775SS**  trans-100135.5-164.1-74-36.3000114.9
311H38.2Very low40Very low185 Ų185151.9 Ų151.986%0.85677%0.774SS**  trans-136.9112.1159.9-83.6-4.4000110.6
312P48.6Very low39.1Very low120 Ų120150.6 Ų150.678%0.77977%0.773SS**  trans-88.7118.9167.732.3-28.7000110.7
313H41.2Very low39.4Very low182 Ų182151.9 Ų151.984%0.84378%0.779SS**  trans-73.7141.9160.5-73.7-77.9000109.8
314H38.2Very low38.8Very low191 Ų191152.6 Ų152.688%0.88478%0.783SS**  trans-137.7157.5158.4-114.9-93.2000112
315H35.4Very low38.6Very low171 Ų171148.4 Ų148.479%0.79278%0.777SS**  trans-84.3156-163.7-107.653.6000114.9
316S33.8Very low38Very low78 Ų78151.6 Ų151.655%0.54578%0.783SS.*  trans46121.8143.7-53.70000120.3
317H35.8Very low37.8Very low187 Ų187149.1 Ų149.187%0.86677%0.771SS**  -178.1125.686.7-97.3-76.4000111.6
318S37Very low37.5Very low126 Ų126149.9 Ų149.988%0.88178%0.775SS**  trans-86.4118.2169.6-60.70000110.3
319H37.5Very low37.3Very low176 Ų176150.9 Ų150.982%0.81579%0.79SS**  trans-110.8122.2165.8-150.4-65.9000110.8
320L40.7Very low37.1Very low127 Ų127146.5 Ų146.567%0.66578%0.782SS**  trans-79.9142.1173.2-71160.8000109.6
321H35.2Very low37.7Very low182 Ų182145 Ų14584%0.84378%0.779SS**  trans-142.4152.3153.5-135.570.1000111.5
322A34.5Very low37.6Very low80 Ų80144.4 Ų144.466%0.66178%0.776SS**  trans-106.2144.5-168.700000112.1
323H39.8Very low37.6Very low189 Ų189143.9 Ų143.988%0.87577%0.773SS**  trans-73.1129.2170.8-62.8-70.9000111.1
324P43.9Very low37.6Very low119 Ų119141.2 Ų141.277%0.77377%0.772SS**  trans-71.8124.8161.4-10.527.1000109.2
325A34.8Very low37.2Very low82 Ų82140.5 Ų140.568%0.67877%0.774SS**  trans-87.1113.3168.500000109.4H327A325-H327 PolarHBondContact O-CE1 2.99Å; A325-H327 PolarHBondContact O-ND1 3.18Å
326H37.8Very low37.4Very low175 Ų175141.3 Ų141.381%0.8178%0.777SS**  trans-111.4156.9159.2-93.2-52000110.8
327H35.4Very low37.5Very low137 Ų137144.1 Ų144.163%0.63479%0.791SS**  trans-142.3123.2-147.914-100.2000109.4A325A325-H327 PolarHBondContact O-CE1 2.99Å; A325-H327 PolarHBondContact O-ND1 3.18Å
328Q33.1Very low37.2Very low182 Ų182138.5 Ų138.585%0.8578%0.784SS**  trans-14497.4174.3-80.4-71.584.500109
329T32.4Very low37Very low153 Ų153140.2 Ų140.294%0.93978%0.783SS**  175.6149.4129.737.40000110.3
330S34.4Very low36.9Very low108 Ų108140.1 Ų140.176%0.75578%0.783SS**  trans-117.6-171.4169-153.10000106.8
331P44.7Very low36.5Very low94 Ų94138.9 Ų138.961%0.6179%0.791SS**  -116.1-163.3-53.217.24.3000111.6
332H35.8Very low36.5Very low173 Ų173138.5 Ų138.580%0.80179%0.79SS**  trans100.9128.7160.5-57.7-72.7000118.8
333P48.8Very low36.6Very low110 Ų110141 Ų14171%0.71480%0.796SS**PPolyproline II helixtrans-100.5163.8174.439.7-34.4000113.4
334P40Very low36.3Very low125 Ų125137.4 Ų137.481%0.81279%0.792SS**PPolyproline II helixtrans-73.7153.9168.631.9-34.9000112.6
335L31.2Very low36.4Very low177 Ų177137.6 Ų137.693%0.92779%0.794SS**PPolyproline II helixtrans-67.9150.4179.3-68.9152000112.3
336H38.3Very low36.3Very low187 Ų187138.6 Ų138.687%0.86680%0.802SS**  trans-129.6132165.2-143.3-74.8000110G338H336-G338 PolarHBondContact O-N 2.95Å
337T35.8Very low36.5Very low138 Ų138136.8 Ų136.885%0.84780%0.803SS**  trans-62.4130.3-175.1-46.80000111.2
338G30.8Very low36.9Very low68 Ų68140 Ų14070%0.70182%0.818SS**  trans-76.1142.8-176.900000113.4H336H336-G338 PolarHBondContact O-N 2.95Å
339N33Very low37.5Very low162 Ų162139 Ų13987%0.86681%0.814SS**  trans-128.4151.7160.9-116.2-20.1000108.8
340Q34.2Very low37.8Very low175 Ų175140.5 Ų140.582%0.81881%0.812SS**  trans-72.9131.7-154.4-60.9171.346.900114.2
341A32.8Very low38.1Very low100 Ų100143.5 Ų143.583%0.82681%0.814SS**  trans-92.5110.9168.200000110.3
342Q34.2Very low38Very low175 Ų175145.1 Ų145.182%0.81883%0.825SS**  trans-78.8128.2170.5-81.8-85.2-35.700110
343V38Very low38Very low133 Ų133142.9 Ų142.981%0.80682%0.824SS**  trans-91.9142.1173.3-69.90000110.9
344S33.2Very low37.6Very low113 Ų113145.9 Ų145.979%0.7983%0.828SS**  trans-156.7146.9163.3-83.20000110.6
345P45.6Very low38Very low123 Ų123146.4 Ų146.480%0.79983%0.829SS**  trans-88.5155.8-16735.2-36.3000113.2
346A33.4Very low38.6Very low103 Ų103145.7 Ų145.785%0.85183%0.825SS**  trans-13192.3165.300000109.4Q348A346-Q348 PolarHBondContact O-N 3.18Å
347T40.3Very low39.1Very low136 Ų136145 Ų14583%0.83482%0.822SS**  trans-70.112416847.50000109.5
348Q44Very low39.5Very low204 Ų204143.8 Ų143.895%0.95382%0.816SS**  trans-144.1156157.2-122.7175.5105.500111.3A346A346-Q348 PolarHBondContact O-N 3.18Å
349Q46.2Very low40.2Very low161 Ų161146.5 Ų146.575%0.75282%0.822SS**  trans-118.2127.6-152.5176.3-167.69400109.7
350M39Very low40.7Very low185 Ų185146.3 Ų146.391%0.91182%0.816SS**  trans-139145.5169.8-80.7-74101.500109.6
351Q40Very low41.2Very low171 Ų171143.7 Ų143.780%0.79981%0.814SS**  trans-86.6158.5-173.5-68.8-173.316.400112.7
352P44.1Very low42Very low128 Ų128144.8 Ų144.883%0.83181%0.81SS**  trans-86.4125.6-175.233-33.5000113
353T35.2Very low42.8Very low127 Ų127140.1 Ų140.178%0.77981%0.809SS**  trans-139.8114.6171.3-59.70000111.6
354Q39.7Very low42.9Very low173 Ų173137.3 Ų137.381%0.80881%0.807SS**  trans55.7126.1162.6-57.7-67.930.500120.1
355T47.9Very low43.5Very low135 Ų135143.2 Ų143.283%0.82881%0.812SS**  trans-75.3122.4172.542.80000112
356I44.2Very low43.8Very low162 Ų162148.5 Ų148.583%0.83182%0.816SS**  trans-109.1124.7161.7-64174.7000107.4
357Q48.4Very low44.7Very low172 Ų172154.9 Ų154.980%0.80482%0.818SS**PPolyproline II helixtrans-69.6143.4-177.5-61.4176.239.600111
358P46.1Very low45.4Very low113 Ų113159.7 Ų159.773%0.73482%0.821SS**PPolyproline II helixtrans-65.5130168.828.4-33.1000109.5Q360P358-Q360 PolarHBondContact O-N 2.91Å
359P43.7Very low46.1Very low126 Ų126155.3 Ų155.382%0.81881%0.808SS**PPolyproline II helixtrans-66.1132.3179.825.9-33.2000111
360Q44.8Very low46.7Very low158 Ų158154.1 Ų154.174%0.73881%0.811SS**PPolyproline II helixtrans-55.2142.1177.6-71.2-76.5-20.900111.6P358 T362P358-Q360 PolarHBondContact O-N 2.91Å; Q360-T362 PolarHBondContact O-N 3.18Å
361P45.3Very low47.8Very low119 Ų119152 Ų15277%0.77380%0.803SS**  trans-73.675.2173.332.4-35000110G363P361-G363 PolarHBondContact O-N 3.34Å
362T48.3Very low49.2Very low124 Ų124147 Ų14776%0.76178%0.781SS**  trans-58.4125.4174.146.40000109.3Q360 G364Q360-T362 PolarHBondContact O-N 3.18Å; T362-G364 PolarHBondContact O-N 3.44Å
363G51.5Low51.3Low76 Ų76145 Ų14578%0.78476%0.762SS**  trans-57.6100.1-169.200000112.1P361 R365P361-G363 PolarHBondContact O-N 3.34Å; G363-R365 VanDerWaalsContact C-N 3.26Å; G363-R365 PolarHBondContact O-N 3Å
364G39.9Very low53.9Low75 Ų75143.3 Ų143.377%0.77375%0.754SS**  trans-67.977.9-174.800000112.5T362 R366T362-G364 PolarHBondContact O-N 3.44Å; G364-R366 PolarHBondContact O-N 3Å
365R46.1Very low56.5Low236 Ų236140.1 Ų140.189%0.89174%0.742SS**  trans-39.2110.6165.9177.9-170.6-171.1-147.96.1107.6G363 R367G363-R365 VanDerWaalsContact C-N 3.26Å; G363-R365 PolarHBondContact O-N 3Å; R365-R367 PolarHBondContact O-N 3.2Å
366R51.6Low58.7Low234 Ų234136.6 Ų136.688%0.88372%0.717SS**  trans-42.7107.2-169.7-68-175.3-176.2-174.22.4109.4G364 R368G364-R366 PolarHBondContact O-N 3Å; R366-R368 VanDerWaalsContact C-N 3.28Å; R366-R368 PolarHBondContact O-N 3.43Å
367R52.6Low61Low237 Ų237135.5 Ų135.589%0.89470%0.702SS**  trans-61.1101.8164-82.1-174.1175.7176.7-0.9104.5R365 V369R365-R367 PolarHBondContact O-N 3.2Å; R367-V369 VanDerWaalsContact C-N 3.27Å; R367-V369 PolarHBondContact O-N 3.13Å
368R54.4Low63.3Low238 Ų238133.4 Ų133.490%0.89869%0.687SS**  trans-58106.6157.3-61.3-169.3-156.2-172.17.6103.3R366 V370R366-R368 VanDerWaalsContact C-N 3.28Å; R366-R368 PolarHBondContact O-N 3.43Å; R368-V370 PolarHBondContact O-N 3.2Å
369V58.1Low65.7Low111 Ų111135.9 Ų135.967%0.67368%0.681SS**  trans-54.8127.4173.5178.10000105.4R367 D371 E372R367-V369 VanDerWaalsContact C-N 3.27Å; R367-V369 PolarHBondContact O-N 3.13Å; V369-D371 PolarHBondContact O-N 3.05Å; V369-E372 HydrophobicContact CG1-CG 4.07Å
370V59.8Low68.2Low137 Ų137132.9 Ų132.983%0.8366%0.655SS**SBendtrans-51.5138.1177.8173.30000107.8R368 E372R368-V370 PolarHBondContact O-N 3.2Å; V370-E372 PolarHBondContact O-N 3.41Å
371D61.4Low70.7Confident139 Ų139131.6 Ų131.674%0.74365%0.648SS**  trans-40.891.2-159.1-1529.8000114V369 D373V369-D371 PolarHBondContact O-N 3.05Å; D371-D373 VanDerWaalsContact C-N 3.33Å; D371-D373 PolarHBondContact O-N 3.32Å
372E69.3Low73.2Confident68 Ų68129.7 Ų129.732%0.31863%0.63SS.*  trans-68.997.5170.5-97.1-104.8167.300106.4V369 V370 R377 K380V369-E372 HydrophobicContact CG1-CG 4.07Å; V370-E372 PolarHBondContact O-N 3.41Å; E372-R377 PolarHBondContact O-NH2 2.75Å; E372-K380 IonicContact OE1-NZ 3.43Å; E372-K380 PolarHBondContact OE1-NZ 3.49Å; E372-K380 IonicContact OE2-NZ 2.65Å; E372-K380 PolarHBondContact OE2-NZ 3.42Å
373D88.4Confident75.6Confident84 Ų84128.4 Ų128.445%0.44962%0.616SS.*  trans-27.1122.6175.6162.435.4000111.5D371 D375 E376 R377D371-D373 VanDerWaalsContact C-N 3.33Å; D371-D373 PolarHBondContact O-N 3.32Å; D373-D375 PolarHBondContact O-N 3.06Å; D373-D375 VanDerWaalsContact O-N 3.11Å; D373-D375 PolarHBondContact OD1-N 3.08Å; D373-E376 HydrophobicContact CB-CB 4.24Å; D373-E376 PolarHBondContact O-N 2.7Å; D373-E376 VanDerWaalsContact O-N 3.14Å; D373-E376 PolarHBondContact OD2-N 3.31Å; D373-R377 PolarHBondContact O-N 3.27Å
374P91.3Very high77.8Confident92 Ų92132.7 Ų132.760%0.59761%0.608SS**Hα-helixtrans-48.5-36.6177.1-29.936.4000113.8R378P374-R378 VanDerWaalsContact O-CB 3.25Å; P374-R378 WeakPolarHBondContact O-CB 3.39Å; P374-R378 PolarHBondContact O-N 2.97Å
375D92.8Very high80.6Confident107 Ų107133.4 Ų133.457%0.57260%0.595SS**Hα-helixtrans-76.4-39.5179.8-91.1-36.2000113.1D373 R377 R378 R379D373-D375 PolarHBondContact O-N 3.06Å; D373-D375 VanDerWaalsContact O-N 3.11Å; D373-D375 PolarHBondContact OD1-N 3.08Å; D375-R377 VanDerWaalsContact C-N 3.35Å; D375-R378 CarbonylContact O-C 3.58Å; D375-R378 WeakPolarHBondContact O-CB 3.41Å; D375-R378 PolarHBondContact O-N 3.34Å; D375-R379 WeakPolarHBondContact O-CB 3.33Å; D375-R379 PolarHBondContact O-N 3.5Å
376E94.2Very high83.1Confident61 Ų61129.5 Ų129.529%0.28558%0.58SS.*Hα-helixtrans-63.7-39.6168.7175.6152.8-111.700112.1D373 R378 R379 K380D373-E376 HydrophobicContact CB-CB 4.24Å; D373-E376 PolarHBondContact O-N 2.7Å; D373-E376 VanDerWaalsContact O-N 3.14Å; D373-E376 PolarHBondContact OD2-N 3.31Å; E376-R378 VanDerWaalsContact C-N 3.27Å; E376-R378 PolarHBondContact O-N 3.31Å; E376-R379 WeakPolarHBondContact O-CB 3.36Å; E376-R379 PolarHBondContact O-N 3.05Å; E376-R379 IonicContact OE1-CZ 2.66Å; E376-R379 IonicContact OE1-NE 3.65Å; E376-R379 IonicContact OE1-NH2 3.77Å; E376-R379 PolarHBondContact OE1-NH2 3.35Å; E376-K380 HydrophobicContact CG-CD 3.81Å; E376-K380 HydrophobicContact CG-CG 4.21Å; E376-K380 VanDerWaalsContact CG-NZ 3.28Å; E376-K380 WeakPolarHBondContact O-CB 3.37Å; E376-K380 WeakPolarHBondContact O-CG 3.37Å; E376-K380 PolarHBondContact O-N 3.03Å; E376-K380 IonicContact OE1-NZ 2.69Å; E376-K380 WeakPolarHBondContact OE2-CE 3.15Å; E376-K380 IonicContact OE2-NZ 2.76Å; E376-K380 PolarHBondContact OE2-NZ 2.95Å
377R93.6Very high85.3Confident139 Ų139120 Ų12053%0.52555%0.552SS.*Hα-helixtrans-60.3-40.7174.3-165.9-179.3-52.9173.210.9111.1E372 D373 D375 K380 F381E372-R377 PolarHBondContact O-NH2 2.75Å; D373-R377 PolarHBondContact O-N 3.27Å; D375-R377 VanDerWaalsContact C-N 3.35Å; R377-K380 PolarHBondContact O-N 3.4Å; R377-F381 PolarHBondContact O-N 3.01Å
378R95.9Very high87.5Confident128 Ų128110.8 Ų110.848%0.48353%0.526SS..Hα-helixtrans-65.8-42.3174.6-173.5170.6179.1-93-4.1111.8P374 D375 E376 F381 L382P374-R378 VanDerWaalsContact O-CB 3.25Å; P374-R378 WeakPolarHBondContact O-CB 3.39Å; P374-R378 PolarHBondContact O-N 2.97Å; D375-R378 CarbonylContact O-C 3.58Å; D375-R378 WeakPolarHBondContact O-CB 3.41Å; D375-R378 PolarHBondContact O-N 3.34Å; E376-R378 VanDerWaalsContact C-N 3.27Å; E376-R378 PolarHBondContact O-N 3.31Å; R378-F381 PolarHBondContact O-N 3Å; R378-L382 HydrophobicContact CG-CD1 4.18Å; R378-L382 WeakPolarHBondContact O-CB 3.21Å; R378-L382 WeakPolarHBondContact O-CG 3.39Å; R378-L382 PolarHBondContact O-N 3.28Å
379R96.8Very high89.6Confident165 Ų165101.2 Ų101.262%0.62350%0.498SS*.Hα-helixtrans-57.1-50.3172.3-174.6173.681139.1-2.8111.3D375 E376 F381 L382 E383D375-R379 WeakPolarHBondContact O-CB 3.33Å; D375-R379 PolarHBondContact O-N 3.5Å; E376-R379 WeakPolarHBondContact O-CB 3.36Å; E376-R379 PolarHBondContact O-N 3.05Å; E376-R379 IonicContact OE1-CZ 2.66Å; E376-R379 IonicContact OE1-NE 3.65Å; E376-R379 IonicContact OE1-NH2 3.77Å; E376-R379 PolarHBondContact OE1-NH2 3.35Å; R379-F381 VanDerWaalsContact C-N 3.28Å; R379-F381 PolarHBondContact O-N 2.98Å; R379-L382 PolarHBondContact O-N 3.33Å; R379-E383 PolarHBondContact O-N 3.48Å
380K96.8Very high91.6Very high62 Ų6299.9 Ų99.927%0.2749%0.49SS..Hα-helixtrans-63.2-30176.8-70167.1-179.5157.70112.3E372 E376 R377 R384E372-K380 IonicContact OE1-NZ 3.43Å; E372-K380 PolarHBondContact OE1-NZ 3.49Å; E372-K380 IonicContact OE2-NZ 2.65Å; E372-K380 PolarHBondContact OE2-NZ 3.42Å; E376-K380 HydrophobicContact CG-CD 3.81Å; E376-K380 HydrophobicContact CG-CG 4.21Å; E376-K380 VanDerWaalsContact CG-NZ 3.28Å; E376-K380 WeakPolarHBondContact O-CB 3.37Å; E376-K380 WeakPolarHBondContact O-CG 3.37Å; E376-K380 PolarHBondContact O-N 3.03Å; E376-K380 IonicContact OE1-NZ 2.69Å; E376-K380 WeakPolarHBondContact OE2-CE 3.15Å; E376-K380 IonicContact OE2-NZ 2.76Å; E376-K380 PolarHBondContact OE2-NZ 2.95Å; R377-K380 PolarHBondContact O-N 3.4Å; K380-R384 VanDerWaalsContact C-NH1 3.27Å; K380-R384 WeakPolarHBondContact O-CG 3.37Å; K380-R384 PolarHBondContact O-NH1 3.46Å
381F96.9Very high93.4Very high132 Ų132101 Ų10158%0.57948%0.479SS*.Hα-helixtrans-73.8-49.5172.4178.2-95.5000112.1R377 R378 R379 E383 R384 N385R377-F381 PolarHBondContact O-N 3.01Å; R378-F381 PolarHBondContact O-N 3Å; R379-F381 VanDerWaalsContact C-N 3.28Å; R379-F381 PolarHBondContact O-N 2.98Å; F381-E383 VanDerWaalsContact C-N 3.27Å; F381-E383 PolarHBondContact O-N 3.13Å; F381-R384 PolarHBondContact O-N 2.89Å; F381-N385 PolarHBondContact O-N 3.4Å
382L98.1Very high95.2Very high78 Ų7898.6 Ų98.641%0.40847%0.472SS..Hα-helixtrans-58.8-38.1-179.8-72.7170.5000112R378 R379 N385 R386R378-L382 HydrophobicContact CG-CD1 4.18Å; R378-L382 WeakPolarHBondContact O-CB 3.21Å; R378-L382 WeakPolarHBondContact O-CG 3.39Å; R378-L382 PolarHBondContact O-N 3.28Å; R379-L382 PolarHBondContact O-N 3.33Å; L382-N385 WeakPolarHBondContact O-CB 3.46Å; L382-N385 PolarHBondContact O-N 2.96Å; L382-R386 PolarHBondContact O-N 2.77Å
383E98Very high96.6Very high97 Ų97104.7 Ų104.745%0.45349%0.492SS..Hα-helixtrans-72.9-36.2179.1-16349.7-133.800112.8R379 F381 N385 R386 A387R379-E383 PolarHBondContact O-N 3.48Å; F381-E383 VanDerWaalsContact C-N 3.27Å; F381-E383 PolarHBondContact O-N 3.13Å; E383-N385 VanDerWaalsContact C-N 3.3Å; E383-N385 PolarHBondContact O-N 3.28Å; E383-R386 PolarHBondContact O-N 2.72Å; E383-R386 WeakPolarHBondContact OE1-CD 3.44Å; E383-R386 IonicContact OE1-NE 2.64Å; E383-R386 IonicContact OE2-CZ 2.97Å; E383-R386 IonicContact OE2-NE 3.34Å; E383-R386 PolarHBondContact OE2-NE 3.39Å; E383-R386 IonicContact OE2-NH2 3.55Å; E383-A387 WeakPolarHBondContact O-CB 3.42Å; E383-A387 PolarHBondContact O-N 3.23Å
384R98.3Very high97.1Very high166 Ų166105.6 Ų105.663%0.62649%0.494SS*.Hα-helixtrans-63.1-37.7169.4-69.5-179.8-164.5105.9-12.4111.6K380 F381 A388K380-R384 VanDerWaalsContact C-NH1 3.27Å; K380-R384 WeakPolarHBondContact O-CG 3.37Å; K380-R384 PolarHBondContact O-NH1 3.46Å; F381-R384 PolarHBondContact O-N 2.89Å; R384-A388 WeakPolarHBondContact O-CB 3.33Å; R384-A388 PolarHBondContact O-N 3.36Å
385N98.4Very high97.5Very high91 Ų91109.2 Ų109.249%0.48750%0.5SS..Hα-helixtrans-66.1-45.4175.1-176-84.5000111.6F381 L382 E383 A387 A388 A389F381-N385 PolarHBondContact O-N 3.4Å; L382-N385 WeakPolarHBondContact O-CB 3.46Å; L382-N385 PolarHBondContact O-N 2.96Å; E383-N385 VanDerWaalsContact C-N 3.3Å; E383-N385 PolarHBondContact O-N 3.28Å; N385-A387 PolarHBondContact O-N 3.31Å; N385-A388 PolarHBondContact O-N 2.85Å; N385-A388 VanDerWaalsContact O-N 3.16Å; N385-A389 WeakPolarHBondContact O-CB 3.14Å; N385-A389 PolarHBondContact O-N 3.02Å
386R98.8Very high97.7Very high153 Ų153112.7 Ų112.758%0.57751%0.505SS*.Hα-helixtrans-55.1-51173.6-168.6-167.2-52.3-80.8-0.5111.1L382 E383 A388 A389 T390L382-R386 PolarHBondContact O-N 2.77Å; E383-R386 PolarHBondContact O-N 2.72Å; E383-R386 WeakPolarHBondContact OE1-CD 3.44Å; E383-R386 IonicContact OE1-NE 2.64Å; E383-R386 IonicContact OE2-CZ 2.97Å; E383-R386 IonicContact OE2-NE 3.34Å; E383-R386 PolarHBondContact OE2-NE 3.39Å; E383-R386 IonicContact OE2-NH2 3.55Å; R386-A388 VanDerWaalsContact C-N 3.33Å; R386-A388 PolarHBondContact O-N 3.03Å; R386-A389 PolarHBondContact O-N 3.42Å; R386-T390 PolarHBondContact O-N 3.48Å; R386-T390 PolarHBondContact O-OG1 3.09Å
387A98.5Very high98Very high36 Ų36116 Ų11630%0.29852%0.519SS..Hα-helixtrans-62.5-37.4177.900000112.7E383 N385 R391E383-A387 WeakPolarHBondContact O-CB 3.42Å; E383-A387 PolarHBondContact O-N 3.23Å; N385-A387 PolarHBondContact O-N 3.31Å; A387-R391 WeakPolarHBondContact O-CG 3.33Å; A387-R391 PolarHBondContact O-N 3.15Å; A387-R391 PolarHBondContact O-NH1 3.31Å
388A98.5Very high98.2Very high43 Ų43113.5 Ų113.536%0.35552%0.519SS..Hα-helixtrans-67.7-42.3174.600000112.5R384 N385 R386 R391 C392R384-A388 WeakPolarHBondContact O-CB 3.33Å; R384-A388 PolarHBondContact O-N 3.36Å; N385-A388 PolarHBondContact O-N 2.85Å; N385-A388 VanDerWaalsContact O-N 3.16Å; R386-A388 VanDerWaalsContact C-N 3.33Å; R386-A388 PolarHBondContact O-N 3.03Å; A388-R391 PolarHBondContact O-N 3.48Å; A388-C392 WeakPolarHBondContact O-CB 3.46Å; A388-C392 PolarHBondContact O-N 3.46Å
389A98.6Very high98.3Very high36 Ų36114.8 Ų114.830%0.29852%0.524SS..Hα-helixtrans-62.9-42.4175.700000111.6N385 R386 C392 R393N385-A389 WeakPolarHBondContact O-CB 3.14Å; N385-A389 PolarHBondContact O-N 3.02Å; R386-A389 PolarHBondContact O-N 3.42Å; A389-C392 PolarHBondContact O-N 3.21Å; A389-R393 WeakPolarHBondContact O-CB 3.48Å; A389-R393 WeakPolarHBondContact O-CG 3.27Å; A389-R393 PolarHBondContact O-N 3.2Å
390T98.7Very high98.4Very high83 Ų83109.4 Ų109.451%0.50951%0.509SS..Hα-helixtrans-61.1-45.9173.4-620000111.7R386 C392 R393 Q394R386-T390 PolarHBondContact O-N 3.48Å; R386-T390 PolarHBondContact O-OG1 3.09Å; T390-C392 PolarHBondContact O-N 3Å; T390-R393 PolarHBondContact O-N 2.9Å; T390-Q394 WeakPolarHBondContact O-CB 3.37Å; T390-Q394 PolarHBondContact O-N 2.97Å
391R98.7Very high98.5Very high162 Ų162111.7 Ų111.761%0.61152%0.522SS*.Hα-helixtrans-63.1-38.3175-72.9-171.3-59.3-88.20.8112.8A387 A388 Q394 K395A387-R391 WeakPolarHBondContact O-CG 3.33Å; A387-R391 PolarHBondContact O-N 3.15Å; A387-R391 PolarHBondContact O-NH1 3.31Å; A388-R391 PolarHBondContact O-N 3.48Å; R391-Q394 PolarHBondContact O-N 3.12Å; R391-K395 WeakPolarHBondContact O-CB 3.47Å; R391-K395 PolarHBondContact O-N 3.02Å
392C98.8Very high98.6Very high88 Ų88108.9 Ų108.960%0.59552%0.519SS*.Hα-helixtrans-62.9-49.6175.6-178.90000111.5A388 A389 T390 Q394 K395 R396A388-C392 WeakPolarHBondContact O-CB 3.46Å; A388-C392 PolarHBondContact O-N 3.46Å; A389-C392 PolarHBondContact O-N 3.21Å; T390-C392 PolarHBondContact O-N 3Å; C392-Q394 PolarHBondContact O-N 3.01Å; C392-K395 PolarHBondContact O-N 2.91Å; C392-R396 PolarHBondContact O-N 3.46Å
393R98.8Very high98.6Very high195 Ų195109.3 Ų109.374%0.73652%0.521SS*.Hα-helixtrans-60.2-42.6175.7-70.5173.3-179.3-169-0.7111.9A389 T390 R396 K397A389-R393 WeakPolarHBondContact O-CB 3.48Å; A389-R393 WeakPolarHBondContact O-CG 3.27Å; A389-R393 PolarHBondContact O-N 3.2Å; T390-R393 PolarHBondContact O-N 2.9Å; R393-R396 PolarHBondContact O-N 3.1Å; R393-K397 PolarHBondContact O-N 3.37Å
394Q98.8Very high98.7Very high104 Ų104109.6 Ų109.649%0.48652%0.522SS..Hα-helixtrans-65.2-44.6176.9-168.764.1-95.100111.8T390 R391 C392 R396 K397 V398T390-Q394 WeakPolarHBondContact O-CB 3.37Å; T390-Q394 PolarHBondContact O-N 2.97Å; R391-Q394 PolarHBondContact O-N 3.12Å; C392-Q394 PolarHBondContact O-N 3.01Å; Q394-R396 VanDerWaalsContact C-N 3.31Å; Q394-R396 PolarHBondContact O-N 2.58Å; Q394-K397 PolarHBondContact O-N 3.15Å; Q394-V398 WeakPolarHBondContact O-CG2 3.4Å; Q394-V398 PolarHBondContact O-N 3.44Å
395K98.8Very high98.7Very high168 Ų168107.2 Ų107.273%0.7352%0.517SS*.Hα-helixtrans-60.1-40.4175-173.6177179.3-178.60111.6R391 C392 W399R391-K395 WeakPolarHBondContact O-CB 3.47Å; R391-K395 PolarHBondContact O-N 3.02Å; C392-K395 PolarHBondContact O-N 2.91Å; K395-W399 VanDerWaalsContact O-CB 3.3Å; K395-W399 WeakPolarHBondContact O-CB 3.34Å; K395-W399 PolarHBondContact O-N 2.86Å
396R98.8Very high98.7Very high180 Ų180108.6 Ų108.668%0.67952%0.518SS*.Hα-helixtrans-65-41.8174.4-173.6172.6177.5166.2-0.8112C392 R393 Q394 W399 V400C392-R396 PolarHBondContact O-N 3.46Å; R393-R396 PolarHBondContact O-N 3.1Å; Q394-R396 VanDerWaalsContact C-N 3.31Å; Q394-R396 PolarHBondContact O-N 2.58Å; R396-W399 PolarHBondContact O-N 3.02Å; R396-V400 HydrophobicContact CG-CG2 4.48Å; R396-V400 WeakPolarHBondContact O-CG2 3.42Å; R396-V400 PolarHBondContact O-N 3.29Å
397K98.8Very high98.7Very high129 Ų129103.8 Ų103.856%0.56151%0.511SS*.Hα-helixtrans-59.4-52.8175.2179.6178.8-72.5-155.20111.5R393 Q394 W399 V400 M401R393-K397 PolarHBondContact O-N 3.37Å; Q394-K397 PolarHBondContact O-N 3.15Å; K397-W399 VanDerWaalsContact C-N 3.28Å; K397-W399 PolarHBondContact O-N 3.35Å; K397-V400 PolarHBondContact O-N 3.28Å; K397-M401 HydrophobicContact CD-SD 4.21Å; K397-M401 HydrophobicContact CG-CG 4.37Å; K397-M401 HydrophobicContact CG-SD 3.82Å; K397-M401 WeakPolarHBondContact O-CG 3.45Å; K397-M401 PolarHBondContact O-N 3.4Å
398V98.7Very high98.7Very high87 Ų87108.3 Ų108.353%0.52753%0.526SS..Hα-helixtrans-60.6-37.9179.5173.80000111.6Q394 S402Q394-V398 WeakPolarHBondContact O-CG2 3.4Å; Q394-V398 PolarHBondContact O-N 3.44Å; V398-S402 VanDerWaalsContact O-CB 3.31Å; V398-S402 WeakPolarHBondContact O-CB 3.33Å; V398-S402 PolarHBondContact O-N 3.19Å
399W98.6Very high98.7Very high156 Ų156110.4 Ų110.459%0.59153%0.529SS*.Hα-helixtrans-65.1-45.1175.2178.760.1000112.6K395 R396 K397 S402 L403K395-W399 VanDerWaalsContact O-CB 3.3Å; K395-W399 WeakPolarHBondContact O-CB 3.34Å; K395-W399 PolarHBondContact O-N 2.86Å; R396-W399 PolarHBondContact O-N 3.02Å; K397-W399 VanDerWaalsContact C-N 3.28Å; K397-W399 PolarHBondContact O-N 3.35Å; W399-S402 PolarHBondContact O-N 3.1Å; W399-L403 HydrophobicContact CD2-CD1 4.18Å; W399-L403 HydrophobicContact CH2-CD1 4.25Å; W399-L403 HydrophobicContact CZ2-CD1 3.8Å; W399-L403 WeakPolarHBondContact O-CG 3.32Å; W399-L403 PolarHBondContact O-N 2.62Å; W399-L403 VanDerWaalsContact O-N 3.1Å
400V98.8Very high98.7Very high51 Ų51113.6 Ų113.631%0.30954%0.54SS..Hα-helixtrans-61.8-49.8175.8169.20000110.9R396 K397 S402 L403 E404R396-V400 HydrophobicContact CG-CG2 4.48Å; R396-V400 WeakPolarHBondContact O-CG2 3.42Å; R396-V400 PolarHBondContact O-N 3.29Å; K397-V400 PolarHBondContact O-N 3.28Å; V400-S402 PolarHBondContact O-N 3.21Å; V400-L403 WeakPolarHBondContact O-CA 3.49Å; V400-L403 WeakPolarHBondContact O-CB 3.37Å; V400-L403 PolarHBondContact O-N 3.25Å; V400-E404 HydrophobicContact CG1-CG 4.28Å; V400-E404 VanDerWaalsContact CG1-OE1 3.31Å; V400-E404 WeakPolarHBondContact CG1-OE1 3.35Å; V400-E404 WeakPolarHBondContact O-CG 3.49Å; V400-E404 PolarHBondContact O-N 2.92Å
401M98.6Very high98.7Very high110 Ų110114.2 Ų114.254%0.54254%0.544SS..Hα-helixtrans-58-33.9175.9-68175.868.800113K397 L403 E404 K405K397-M401 HydrophobicContact CD-SD 4.21Å; K397-M401 HydrophobicContact CG-CG 4.37Å; K397-M401 HydrophobicContact CG-SD 3.82Å; K397-M401 WeakPolarHBondContact O-CG 3.45Å; K397-M401 PolarHBondContact O-N 3.4Å; M401-L403 VanDerWaalsContact C-N 3.34Å; M401-E404 VanDerWaalsContact CA-OE2 3.29Å; M401-E404 WeakPolarHBondContact CA-OE2 3.48Å; M401-K405 VanDerWaalsContact O-CB 3.32Å; M401-K405 WeakPolarHBondContact O-CB 3.25Å; M401-K405 PolarHBondContact O-N 2.97Å
402S98.8Very high98.7Very high73 Ų73111.7 Ų111.751%0.5154%0.539SS..Hα-helixtrans-74.7-21.5175.5-173.60000113.7V398 W399 V400 K406V398-S402 VanDerWaalsContact O-CB 3.31Å; V398-S402 WeakPolarHBondContact O-CB 3.33Å; V398-S402 PolarHBondContact O-N 3.19Å; W399-S402 PolarHBondContact O-N 3.1Å; V400-S402 PolarHBondContact O-N 3.21Å; S402-K406 WeakPolarHBondContact O-CB 3.45Å; S402-K406 PolarHBondContact O-N 3.4Å
403L98.8Very high98.7Very high88 Ų88110.4 Ų110.446%0.46153%0.529SS..Hα-helixtrans-83.2-42.1172.2-68.6175.2000110.8W399 V400 M401 K406 A407W399-L403 HydrophobicContact CD2-CD1 4.18Å; W399-L403 HydrophobicContact CH2-CD1 4.25Å; W399-L403 HydrophobicContact CZ2-CD1 3.8Å; W399-L403 WeakPolarHBondContact O-CG 3.32Å; W399-L403 PolarHBondContact O-N 2.62Å; W399-L403 VanDerWaalsContact O-N 3.1Å; V400-L403 WeakPolarHBondContact O-CA 3.49Å; V400-L403 WeakPolarHBondContact O-CB 3.37Å; V400-L403 PolarHBondContact O-N 3.25Å; M401-L403 VanDerWaalsContact C-N 3.34Å; L403-K406 PolarHBondContact O-N 2.64Å; L403-A407 PolarHBondContact O-N 2.97Å
404E98.7Very high98.7Very high103 Ų103105.3 Ų105.348%0.48152%0.516SS..Hα-helixtrans-56.2-55.6174-69.3164.1160.600110.2V400 M401 K406 A407 E408V400-E404 HydrophobicContact CG1-CG 4.28Å; V400-E404 VanDerWaalsContact CG1-OE1 3.31Å; V400-E404 WeakPolarHBondContact CG1-OE1 3.35Å; V400-E404 WeakPolarHBondContact O-CG 3.49Å; V400-E404 PolarHBondContact O-N 2.92Å; M401-E404 VanDerWaalsContact CA-OE2 3.29Å; M401-E404 WeakPolarHBondContact CA-OE2 3.48Å; E404-K406 VanDerWaalsContact C-N 3.26Å; E404-K406 PolarHBondContact O-N 3.2Å; E404-A407 WeakPolarHBondContact O-CB 3.41Å; E404-A407 PolarHBondContact O-N 2.91Å; E404-E408 WeakPolarHBondContact O-CG 3.47Å; E404-E408 PolarHBondContact O-N 3.01Å
405K98.8Very high98.7Very high116 Ų116105.7 Ų105.750%0.50452%0.519SS..Hα-helixtrans-57.1-35.8175.6-173.9173.6-171.9-71.30113.4M401 E408 E409M401-K405 VanDerWaalsContact O-CB 3.32Å; M401-K405 WeakPolarHBondContact O-CB 3.25Å; M401-K405 PolarHBondContact O-N 2.97Å; K405-E408 PolarHBondContact O-N 3.39Å; K405-E409 IonicContact NZ-OE1 3.54Å; K405-E409 PolarHBondContact NZ-OE1 2.97Å; K405-E409 VanDerWaalsContact O-CG 3.29Å; K405-E409 WeakPolarHBondContact O-CG 3.49Å; K405-E409 PolarHBondContact O-N 3.36Å
406K98.7Very high98.7Very high119 Ų119102.5 Ų102.552%0.51751%0.507SS..Hα-helixtrans-73.2-31.7177.6-175.2167.1-178.4173.20112.3S402 L403 E404 L410S402-K406 WeakPolarHBondContact O-CB 3.45Å; S402-K406 PolarHBondContact O-N 3.4Å; L403-K406 PolarHBondContact O-N 2.64Å; E404-K406 VanDerWaalsContact C-N 3.26Å; E404-K406 PolarHBondContact O-N 3.2Å; K406-L410 HydrophobicContact CG-CD1 4.12Å; K406-L410 HydrophobicContact CG-CG 4.48Å; K406-L410 WeakPolarHBondContact O-CB 3.49Å; K406-L410 VanDerWaalsContact O-CG 3.25Å; K406-L410 WeakPolarHBondContact O-CG 3.44Å; K406-L410 PolarHBondContact O-N 2.99Å
407A98.8Very high98.7Very high53 Ų5398.8 Ų98.844%0.43850%0.5SS..Hα-helixtrans-68.4-39.217200000111.2L403 E404 L410 T411L403-A407 PolarHBondContact O-N 2.97Å; E404-A407 WeakPolarHBondContact O-CB 3.41Å; E404-A407 PolarHBondContact O-N 2.91Å; A407-L410 PolarHBondContact O-N 3.2Å; A407-T411 WeakPolarHBondContact O-CB 3.36Å; A407-T411 PolarHBondContact O-N 2.98Å; A407-T411 PolarHBondContact O-OG1 3.3Å
408E98.8Very high98.7Very high130 Ų13098.3 Ų98.361%0.60750%0.5SS*.Hα-helixtrans-60.6-50.7172.3-66.1167.4173.500111.6E404 K405 L410 T411 Q412E404-E408 WeakPolarHBondContact O-CG 3.47Å; E404-E408 PolarHBondContact O-N 3.01Å; K405-E408 PolarHBondContact O-N 3.39Å; E408-L410 PolarHBondContact O-N 3.27Å; E408-T411 PolarHBondContact O-N 2.89Å; E408-T411 VanDerWaalsContact O-N 3.13Å; E408-Q412 WeakPolarHBondContact O-CB 3.29Å; E408-Q412 PolarHBondContact O-N 2.86Å
409E98.8Very high98.7Very high87 Ų8798.7 Ų98.741%0.40750%0.499SS..Hα-helixtrans-57.3-43.9176.5-74.9167.8178.300112.7K405 T413K405-E409 IonicContact NZ-OE1 3.54Å; K405-E409 PolarHBondContact NZ-OE1 2.97Å; K405-E409 VanDerWaalsContact O-CG 3.29Å; K405-E409 WeakPolarHBondContact O-CG 3.49Å; K405-E409 PolarHBondContact O-N 3.36Å; E409-T413 WeakPolarHBondContact O-CB 3.3Å; E409-T413 WeakPolarHBondContact O-CG2 3.34Å; E409-T413 PolarHBondContact O-N 2.91Å; E409-T413 PolarHBondContact O-OG1 3.4Å
410L98.8Very high98.7Very high103 Ų10396 Ų9654%0.53949%0.493SS..Hα-helixtrans-69.6-32.7176.9-72.4171.7000112.3K406 A407 E408 T413 N414K406-L410 HydrophobicContact CG-CD1 4.12Å; K406-L410 HydrophobicContact CG-CG 4.48Å; K406-L410 WeakPolarHBondContact O-CB 3.49Å; K406-L410 VanDerWaalsContact O-CG 3.25Å; K406-L410 WeakPolarHBondContact O-CG 3.44Å; K406-L410 PolarHBondContact O-N 2.99Å; A407-L410 PolarHBondContact O-N 3.2Å; E408-L410 PolarHBondContact O-N 3.27Å; L410-T413 WeakPolarHBondContact CA-OG1 3.47Å; L410-T413 PolarHBondContact O-OG1 3.34Å; L410-N414 WeakPolarHBondContact O-CB 3.31Å; L410-N414 PolarHBondContact O-N 3.32Å
411T98.7Very high98.7Very high96 Ų9697.2 Ų97.259%0.58950%0.5SS*.Hα-helixtrans-69.8-44.1174.9-57.70000110.9A407 E408 N414 M415A407-T411 WeakPolarHBondContact O-CB 3.36Å; A407-T411 PolarHBondContact O-N 2.98Å; A407-T411 PolarHBondContact O-OG1 3.3Å; E408-T411 PolarHBondContact O-N 2.89Å; E408-T411 VanDerWaalsContact O-N 3.13Å; T411-N414 PolarHBondContact O-N 3.46Å; T411-M415 WeakPolarHBondContact O-CB 3.35Å; T411-M415 PolarHBondContact O-N 3.27Å
412Q98.8Very high98.7Very high110 Ų11094.7 Ų94.751%0.51449%0.494SS..Hα-helixtrans-62.3-47.1177.4-173.9-178.117.800111.7E408 M415 Q416E408-Q412 WeakPolarHBondContact O-CB 3.29Å; E408-Q412 PolarHBondContact O-N 2.86Å; Q412-M415 PolarHBondContact O-N 3.46Å; Q412-Q416 WeakPolarHBondContact O-CG 3.29Å; Q412-Q416 PolarHBondContact O-N 2.88Å
413T98.6Very high98.7Very high61 Ų6197.2 Ų97.237%0.37450%0.499SS..Hα-helixtrans-68.6-36.3179.247.50000112.5E409 L410 Q416 L417E409-T413 WeakPolarHBondContact O-CB 3.3Å; E409-T413 WeakPolarHBondContact O-CG2 3.34Å; E409-T413 PolarHBondContact O-N 2.91Å; E409-T413 PolarHBondContact O-OG1 3.4Å; L410-T413 WeakPolarHBondContact CA-OG1 3.47Å; L410-T413 PolarHBondContact O-OG1 3.34Å; T413-Q416 PolarHBondContact O-N 3.47Å; T413-L417 WeakPolarHBondContact O-CG 3.32Å; T413-L417 PolarHBondContact O-N 3.17Å
414N98.7Very high98.7Very high88 Ų8897.2 Ų97.247%0.47150%0.499SS..Hα-helixtrans-62.2-45.5171.9-169.5-18.5000111.3L410 T411 Q416 L417 Q418L410-N414 WeakPolarHBondContact O-CB 3.31Å; L410-N414 PolarHBondContact O-N 3.32Å; T411-N414 PolarHBondContact O-N 3.46Å; N414-Q416 VanDerWaalsContact C-N 3.34Å; N414-Q416 PolarHBondContact O-N 3.3Å; N414-L417 PolarHBondContact O-N 2.92Å; N414-Q418 WeakPolarHBondContact O-CG 3.41Å; N414-Q418 PolarHBondContact O-N 2.93Å; N414-Q418 PolarHBondContact OD1-NE2 3.28Å
415M98.8Very high98.7Very high111 Ų11199.1 Ų99.155%0.54751%0.505SS..Hα-helixtrans-61.9-38.5175.1-177.5169.458.800112.7T411 Q412 Q418 N419T411-M415 WeakPolarHBondContact O-CB 3.35Å; T411-M415 PolarHBondContact O-N 3.27Å; Q412-M415 PolarHBondContact O-N 3.46Å; M415-Q418 PolarHBondContact O-N 2.88Å; M415-N419 VanDerWaalsContact O-CG 3.24Å; M415-N419 PolarHBondContact O-N 2.97Å; M415-N419 PolarHBondContact O-ND2 3.36Å
416Q98.8Very high98.7Very high102 Ų10297.9 Ų97.948%0.47750%0.504SS..Hα-helixtrans-61.8-47.5173.7-74167-13.400111.9Q412 T413 N414 Q418 N419 E420Q412-Q416 WeakPolarHBondContact O-CG 3.29Å; Q412-Q416 PolarHBondContact O-N 2.88Å; T413-Q416 PolarHBondContact O-N 3.47Å; N414-Q416 VanDerWaalsContact C-N 3.34Å; N414-Q416 PolarHBondContact O-N 3.3Å; Q416-Q418 PolarHBondContact O-N 2.98Å; Q416-N419 WeakPolarHBondContact O-CB 3.3Å; Q416-N419 PolarHBondContact O-N 3.49Å; Q416-E420 PolarHBondContact O-N 2.94Å
417L98.8Very high98.7Very high102 Ų10297.3 Ų97.353%0.53450%0.504SS..Hα-helixtrans-66-35.7178-68.9168.6000112.5T413 N414 E420 V421T413-L417 WeakPolarHBondContact O-CG 3.32Å; T413-L417 PolarHBondContact O-N 3.17Å; N414-L417 PolarHBondContact O-N 2.92Å; L417-E420 PolarHBondContact O-N 3.27Å; L417-V421 WeakPolarHBondContact O-CB 3.32Å; L417-V421 VanDerWaalsContact O-CG2 3.3Å; L417-V421 WeakPolarHBondContact O-CG2 3.48Å; L417-V421 PolarHBondContact O-N 3.45Å
418Q98.7Very high98.7Very high118 Ų11898.3 Ų98.355%0.55150%0.504SS*.Hα-helixtrans-63.7-41.1172.7-73.8-179.435.900111.9N414 M415 Q416 V421 S422N414-Q418 WeakPolarHBondContact O-CG 3.41Å; N414-Q418 PolarHBondContact O-N 2.93Å; N414-Q418 PolarHBondContact OD1-NE2 3.28Å; M415-Q418 PolarHBondContact O-N 2.88Å; Q416-Q418 PolarHBondContact O-N 2.98Å; Q418-V421 PolarHBondContact O-N 3.18Å; Q418-S422 WeakPolarHBondContact O-CB 3.39Å; Q418-S422 PolarHBondContact O-N 3.4Å
419N98.7Very high98.6Very high95 Ų9594.6 Ų94.651%0.50850%0.496SS..Hα-helixtrans-64.5-42.7175.3-70.2-22.2000111.6M415 Q416 S422 M423M415-N419 VanDerWaalsContact O-CG 3.24Å; M415-N419 PolarHBondContact O-N 2.97Å; M415-N419 PolarHBondContact O-ND2 3.36Å; Q416-N419 WeakPolarHBondContact O-CB 3.3Å; Q416-N419 PolarHBondContact O-N 3.49Å; N419-S422 WeakPolarHBondContact O-CB 3.38Å; N419-S422 PolarHBondContact O-N 3.18Å; N419-M423 WeakPolarHBondContact O-CG 3.31Å; N419-M423 PolarHBondContact O-N 2.83Å
420E98.6Very high98.6Very high100 Ų10097 Ų9747%0.46751%0.507SS..Hα-helixtrans-61.3-47.9174.9-171.9178.9174.900112Q416 L417 S422 M423 L424Q416-E420 PolarHBondContact O-N 2.94Å; L417-E420 PolarHBondContact O-N 3.27Å; E420-S422 PolarHBondContact O-N 3.16Å; E420-M423 PolarHBondContact O-N 2.81Å; E420-L424 HydrophobicContact CG-CD1 4.08Å; E420-L424 WeakPolarHBondContact O-CG 3.32Å; E420-L424 PolarHBondContact O-N 2.94Å
421V98.7Very high98.5Very high76 Ų7696.4 Ų96.446%0.46150%0.504SS..Hα-helixtrans-59.6-34.8174.3167.90000111.8L417 Q418 K425L417-V421 WeakPolarHBondContact O-CB 3.32Å; L417-V421 VanDerWaalsContact O-CG2 3.3Å; L417-V421 WeakPolarHBondContact O-CG2 3.48Å; L417-V421 PolarHBondContact O-N 3.45Å; Q418-V421 PolarHBondContact O-N 3.18Å; V421-K425 HydrophobicContact CG1-CD 4.2Å; V421-K425 VanDerWaalsContact O-CB 3.32Å; V421-K425 WeakPolarHBondContact O-CB 3.41Å; V421-K425 VanDerWaalsContact O-CG 3.23Å; V421-K425 WeakPolarHBondContact O-CG 3.45Å; V421-K425 PolarHBondContact O-N 2.95Å
422S98.7Very high98.4Very high58 Ų5898.8 Ų98.841%0.40651%0.506SS..Hα-helixtrans-68-46.9175.1-167.10000111.9Q418 N419 E420 K425 N426Q418-S422 WeakPolarHBondContact O-CB 3.39Å; Q418-S422 PolarHBondContact O-N 3.4Å; N419-S422 WeakPolarHBondContact O-CB 3.38Å; N419-S422 PolarHBondContact O-N 3.18Å; E420-S422 PolarHBondContact O-N 3.16Å; S422-K425 PolarHBondContact O-N 3.05Å; S422-N426 PolarHBondContact O-N 3.44Å; S422-N426 PolarHBondContact O-ND2 2.93Å
423M98.6Very high98.3Very high125 Ų12598.6 Ų98.662%0.61651%0.505SS*.Hα-helixtrans-60-48.5176.3-69.4-173.3-62.700111.8N419 E420 K425 N426 E427N419-M423 WeakPolarHBondContact O-CG 3.31Å; N419-M423 PolarHBondContact O-N 2.83Å; E420-M423 PolarHBondContact O-N 2.81Å; M423-K425 VanDerWaalsContact C-N 3.35Å; M423-K425 PolarHBondContact O-N 3.32Å; M423-N426 PolarHBondContact O-N 3.45Å; M423-N426 VanDerWaalsContact O-N 3.12Å; M423-E427 PolarHBondContact O-N 3.44Å
424L98.8Very high98.2Very high88 Ų88100.2 Ų100.246%0.46151%0.511SS..Hα-helixtrans-64.2-36.6178.7-67.5171.3000112.3E420 E427 V428E420-L424 HydrophobicContact CG-CD1 4.08Å; E420-L424 WeakPolarHBondContact O-CG 3.32Å; E420-L424 PolarHBondContact O-N 2.94Å; L424-E427 PolarHBondContact O-N 3.2Å; L424-V428 WeakPolarHBondContact O-CB 3.32Å; L424-V428 VanDerWaalsContact O-CG2 3.31Å; L424-V428 WeakPolarHBondContact O-CG2 3.35Å; L424-V428 PolarHBondContact O-N 2.97Å
425K98.4Very high97.9Very high143 Ų143102.2 Ų102.262%0.62252%0.521SS*.Hα-helixtrans-62.5-42.5171.4-82.7176176.2-178.30112V421 S422 M423 V428 A429V421-K425 HydrophobicContact CG1-CD 4.2Å; V421-K425 VanDerWaalsContact O-CB 3.32Å; V421-K425 WeakPolarHBondContact O-CB 3.41Å; V421-K425 VanDerWaalsContact O-CG 3.23Å; V421-K425 WeakPolarHBondContact O-CG 3.45Å; V421-K425 PolarHBondContact O-N 2.95Å; S422-K425 PolarHBondContact O-N 3.05Å; M423-K425 VanDerWaalsContact C-N 3.35Å; M423-K425 PolarHBondContact O-N 3.32Å; K425-V428 PolarHBondContact O-N 3.43Å; K425-A429 WeakPolarHBondContact O-CB 3.49Å; K425-A429 PolarHBondContact O-N 3.46Å
426N98.5Very high97.6Very high91 Ų91102 Ų10249%0.48752%0.522SS..Hα-helixtrans-68.9-35.5179.4-67.3-16.9000111.9S422 M423 A429 Q430S422-N426 PolarHBondContact O-N 3.44Å; S422-N426 PolarHBondContact O-ND2 2.93Å; M423-N426 PolarHBondContact O-N 3.45Å; M423-N426 VanDerWaalsContact O-N 3.12Å; N426-A429 PolarHBondContact O-N 2.64Å; N426-Q430 WeakPolarHBondContact O-CG 3.35Å; N426-Q430 PolarHBondContact O-N 3.46Å; N426-Q430 PolarHBondContact O-NE2 2.74Å
427E98.4Very high97.3Very high107 Ų107101.9 Ų101.950%0.553%0.528SS..Hα-helixtrans-65.7-48.9172.1-173.7178.8-17900111.3M423 L424 A429 Q430 L431M423-E427 PolarHBondContact O-N 3.44Å; L424-E427 PolarHBondContact O-N 3.2Å; E427-A429 PolarHBondContact O-N 2.95Å; E427-Q430 PolarHBondContact O-N 2.99Å; E427-Q430 VanDerWaalsContact O-N 3.13Å; E427-L431 HydrophobicContact CG-CD1 4.1Å; E427-L431 HydrophobicContact CG-CG 4.47Å; E427-L431 WeakPolarHBondContact O-CG 3.41Å; E427-L431 PolarHBondContact O-N 2.84Å
428V98.4Very high96.7Very high73 Ų73101.9 Ų101.944%0.44253%0.525SS..Hα-helixtrans-59.7-35.2175.4168.90000111.9L424 K425 K432L424-V428 WeakPolarHBondContact O-CB 3.32Å; L424-V428 VanDerWaalsContact O-CG2 3.31Å; L424-V428 WeakPolarHBondContact O-CG2 3.35Å; L424-V428 PolarHBondContact O-N 2.97Å; K425-V428 PolarHBondContact O-N 3.43Å; V428-K432 HydrophobicContact CG1-CD 4.09Å; V428-K432 WeakPolarHBondContact O-CB 3.44Å; V428-K432 VanDerWaalsContact O-CG 3.23Å; V428-K432 WeakPolarHBondContact O-CG 3.25Å; V428-K432 PolarHBondContact O-N 3.4Å
429A98.1Very high96Very high53 Ų53102.2 Ų102.244%0.43852%0.524SS..Hα-helixtrans-66.9-45.9173.800000112K425 N426 E427 K432 Q433K425-A429 WeakPolarHBondContact O-CB 3.49Å; K425-A429 PolarHBondContact O-N 3.46Å; N426-A429 PolarHBondContact O-N 2.64Å; E427-A429 PolarHBondContact O-N 2.95Å; A429-K432 PolarHBondContact O-N 3.11Å; A429-Q433 WeakPolarHBondContact O-CB 3.46Å; A429-Q433 PolarHBondContact O-N 3.37Å
430Q98Very high95Very high136 Ų136103.6 Ų103.664%0.63653%0.532SS*.Hα-helixtrans-62.1-44.6176.3-75.5167.190.800112.3N426 E427 Q433 L434N426-Q430 WeakPolarHBondContact O-CG 3.35Å; N426-Q430 PolarHBondContact O-N 3.46Å; N426-Q430 PolarHBondContact O-NE2 2.74Å; E427-Q430 PolarHBondContact O-N 2.99Å; E427-Q430 VanDerWaalsContact O-N 3.13Å; Q430-Q433 PolarHBondContact O-N 2.8Å; Q430-L434 WeakPolarHBondContact O-CB 3.44Å; Q430-L434 PolarHBondContact O-N 2.79Å
431L97.7Very high94.3Very high92 Ų92100.3 Ų100.348%0.48252%0.519SS..Hα-helixtrans-63.7-41.4177.2-68.8172.7000111.8E427 L434 L435E427-L431 HydrophobicContact CG-CD1 4.1Å; E427-L431 HydrophobicContact CG-CG 4.47Å; E427-L431 WeakPolarHBondContact O-CG 3.41Å; E427-L431 PolarHBondContact O-N 2.84Å; L431-L434 PolarHBondContact O-N 3.28Å; L431-L435 WeakPolarHBondContact O-CB 3.43Å; L431-L435 VanDerWaalsContact O-CG 3.31Å; L431-L435 WeakPolarHBondContact O-CG 3.33Å; L431-L435 PolarHBondContact O-N 3.26Å
432K96.2Very high93Very high145 Ų145101.2 Ų101.263%0.6353%0.527SS*.Hα-helixtrans-63.3-41.5172.9-77.2173.7179.5-1800112.3V428 A429 L435 L436V428-K432 HydrophobicContact CG1-CD 4.09Å; V428-K432 WeakPolarHBondContact O-CB 3.44Å; V428-K432 VanDerWaalsContact O-CG 3.23Å; V428-K432 WeakPolarHBondContact O-CG 3.25Å; V428-K432 PolarHBondContact O-N 3.4Å; A429-K432 PolarHBondContact O-N 3.11Å; K432-L435 PolarHBondContact O-N 3.24Å; K432-L436 WeakPolarHBondContact O-CB 3.46Å; K432-L436 PolarHBondContact O-N 3.37Å
433Q96.9Very high91.7Very high107 Ų107104 Ų10450%0.554%0.536SS..Hα-helixtrans-64.3-43.3176.1-178.656.266.200111.3A429 Q430 L436 T437A429-Q433 WeakPolarHBondContact O-CB 3.46Å; A429-Q433 PolarHBondContact O-N 3.37Å; Q430-Q433 PolarHBondContact O-N 2.8Å; Q433-L436 PolarHBondContact O-N 2.86Å; Q433-T437 PolarHBondContact NE2-OG1 3.41Å; Q433-T437 VanDerWaalsContact NE2-OG1 3.14Å; Q433-T437 PolarHBondContact O-N 2.87Å; Q433-T437 PolarHBondContact O-OG1 3.18Å
434L95.6Very high90.2Very high95 Ų95101.4 Ų101.450%0.49753%0.527SS..Hα-helixtrans-61.4-46.3177.2-175.764.4000111.5Q430 L431 L436 T437 H438Q430-L434 WeakPolarHBondContact O-CB 3.44Å; Q430-L434 PolarHBondContact O-N 2.79Å; L431-L434 PolarHBondContact O-N 3.28Å; L434-L436 VanDerWaalsContact C-N 3.3Å; L434-L436 PolarHBondContact O-N 3.31Å; L434-T437 PolarHBondContact O-N 3.35Å; L434-H438 PolarHBondContact O-CD2 2.92Å; L434-H438 VanDerWaalsContact O-CD2 3.3Å; L434-H438 PolarHBondContact O-N 2.97Å
435L92.8Very high88.6Confident130 Ų13099.8 Ų99.868%0.68153%0.527SS*.Hα-helixtrans-60.5-38.2174.4-71.9169.8000112.3L431 K432 H438 K439L431-L435 WeakPolarHBondContact O-CB 3.43Å; L431-L435 VanDerWaalsContact O-CG 3.31Å; L431-L435 WeakPolarHBondContact O-CG 3.33Å; L431-L435 PolarHBondContact O-N 3.26Å; K432-L435 PolarHBondContact O-N 3.24Å; L435-H438 PolarHBondContact O-N 2.84Å; L435-K439 PolarHBondContact O-N 2.84Å
436L92.9Very high86.9Confident107 Ų10799.4 Ų99.456%0.5653%0.529SS*.Hα-helixtrans-69-40.1176.5-174.561.2000112K432 Q433 L434 H438 K439K432-L436 WeakPolarHBondContact O-CB 3.46Å; K432-L436 PolarHBondContact O-N 3.37Å; Q433-L436 PolarHBondContact O-N 2.86Å; L434-L436 VanDerWaalsContact C-N 3.3Å; L434-L436 PolarHBondContact O-N 3.31Å; L436-H438 VanDerWaalsContact C-N 3.31Å; L436-H438 PolarHBondContact O-N 3.47Å; L436-K439 HydrophobicContact CD1-CD 4.22Å; L436-K439 WeakPolarHBondContact O-CB 3.34Å; L436-K439 PolarHBondContact O-N 2.99Å
437T91.6Very high85.2Confident98 Ų98100.7 Ų100.760%0.60153%0.532SS*.Hα-helixtrans-64.5-34.8174.8-54.70000111.9Q433 L434Q433-T437 PolarHBondContact NE2-OG1 3.41Å; Q433-T437 VanDerWaalsContact NE2-OG1 3.14Å; Q433-T437 PolarHBondContact O-N 2.87Å; Q433-T437 PolarHBondContact O-OG1 3.18Å; L434-T437 PolarHBondContact O-N 3.35Å
438H86.4Confident83.6Confident103 Ų103104 Ų10448%0.47755%0.545SS..THydrogen-bonded Turntrans-88.4-0.9176.9-75.7-72.4000114.9L434 L435 L436 D440 C441L434-H438 PolarHBondContact O-CD2 2.92Å; L434-H438 VanDerWaalsContact O-CD2 3.3Å; L434-H438 PolarHBondContact O-N 2.97Å; L435-H438 PolarHBondContact O-N 2.84Å; L436-H438 VanDerWaalsContact C-N 3.31Å; L436-H438 PolarHBondContact O-N 3.47Å; H438-D440 VanDerWaalsContact C-N 3.25Å; H438-D440 PolarHBondContact O-N 3.2Å; H438-D440 VanDerWaalsContact O-N 3.16Å; H438-C441 WeakPolarHBondContact O-CB 3.25Å; H438-C441 PolarHBondContact O-N 2.77Å; H438-C441 VanDerWaalsContact O-N 3.07Å
439K83.4Confident81.9Confident124 Ų124108.3 Ų108.354%0.53956%0.56SS.*THydrogen-bonded Turntrans-48.2-45.3-177.5173.4-174.9158.3-76.90113.4L435 L436L435-K439 PolarHBondContact O-N 2.84Å; L436-K439 HydrophobicContact CD1-CD 4.22Å; L436-K439 WeakPolarHBondContact O-CB 3.34Å; L436-K439 PolarHBondContact O-N 2.99Å
440D78.9Confident80.1Confident124 Ų124110.4 Ų110.466%0.66357%0.572SS**THydrogen-bonded Turntrans-107.326.8-174-55.7-58.1000111.8H438H438-D440 VanDerWaalsContact C-N 3.25Å; H438-D440 PolarHBondContact O-N 3.2Å; H438-D440 VanDerWaalsContact O-N 3.16Å
441C83.3Confident78.1Confident31 Ų31111.7 Ų111.721%0.20958%0.578CS.*  trans-65133.2178-178.70000111.6H438 I443 T444 A445H438-C441 WeakPolarHBondContact O-CB 3.25Å; H438-C441 PolarHBondContact O-N 2.77Å; H438-C441 VanDerWaalsContact O-N 3.07Å; C441-I443 VanDerWaalsContact C-N 3.27Å; C441-I443 PolarHBondContact O-N 2.75Å; C441-T444 WeakPolarHBondContact O-CA 3.49Å; C441-T444 WeakPolarHBondContact O-CB 3.36Å; C441-T444 PolarHBondContact O-N 2.93Å; C441-A445 PolarHBondContact O-N 2.85Å
442P71.6Confident76.1Confident95 Ų95110 Ų11062%0.61758%0.582SS**Hα-helixtrans-62.1-30.2-17622.6-33.6000113.8A445 M446P442-A445 PolarHBondContact O-N 3.44Å; P442-M446 WeakPolarHBondContact O-CG 3.33Å; P442-M446 PolarHBondContact O-N 3.49Å
443I71.7Confident73.9Confident118 Ų118114 Ų11461%0.60559%0.594SS**Hα-helixtrans-65.7-41.1174.2-64175.9000110.5C441 M446 Q447C441-I443 VanDerWaalsContact C-N 3.27Å; C441-I443 PolarHBondContact O-N 2.75Å; I443-M446 PolarHBondContact O-N 3.43Å; I443-Q447 WeakPolarHBondContact O-CB 3.22Å; I443-Q447 WeakPolarHBondContact O-CG 3.4Å; I443-Q447 PolarHBondContact O-N 2.99Å
444T66.9Low71.5Confident69 Ų69117.3 Ų117.342%0.42362%0.615SS.*Hα-helixtrans-68.5-37177-50.50000111.5C441 K448C441-T444 WeakPolarHBondContact O-CA 3.49Å; C441-T444 WeakPolarHBondContact O-CB 3.36Å; C441-T444 PolarHBondContact O-N 2.93Å; T444-K448 WeakPolarHBondContact O-CB 3.35Å; T444-K448 PolarHBondContact O-N 2.85Å
445A64.4Low69.2Low55 Ų55117.3 Ų117.346%0.45562%0.623SS.*Hα-helixtrans-62.3-50.7171.900000111.5C441 P442 Q447 K448 E449C441-A445 PolarHBondContact O-N 2.85Å; P442-A445 PolarHBondContact O-N 3.44Å; A445-Q447 VanDerWaalsContact C-N 3.33Å; A445-Q447 PolarHBondContact O-N 2.88Å; A445-K448 WeakPolarHBondContact O-CB 3.44Å; A445-K448 PolarHBondContact O-N 3.4Å; A445-K448 VanDerWaalsContact O-N 3.1Å; A445-E449 PolarHBondContact O-N 3.16Å
446M63Low67.1Low135 Ų135117.2 Ų117.267%0.66563%0.63SS**Hα-helixtrans-65-32.5178.3-70.3-170.47800113.2P442 I443 E449 S450P442-M446 WeakPolarHBondContact O-CG 3.33Å; P442-M446 PolarHBondContact O-N 3.49Å; I443-M446 PolarHBondContact O-N 3.43Å; M446-E449 PolarHBondContact O-N 2.87Å; M446-S450 WeakPolarHBondContact O-CB 3.39Å; M446-S450 PolarHBondContact O-N 2.66Å; M446-S450 PolarHBondContact O-OG 3.19Å
447Q64Low64.9Low118 Ų118120.2 Ų120.255%0.55164%0.641SS**Hα-helixtrans-65.7-41.2170.9-79.6-177.1-39.400112I443 A445 E449 S450 Q451I443-Q447 WeakPolarHBondContact O-CB 3.22Å; I443-Q447 WeakPolarHBondContact O-CG 3.4Å; I443-Q447 PolarHBondContact O-N 2.99Å; A445-Q447 VanDerWaalsContact C-N 3.33Å; A445-Q447 PolarHBondContact O-N 2.88Å; Q447-E449 VanDerWaalsContact C-N 3.32Å; Q447-E449 PolarHBondContact O-N 3.14Å; Q447-S450 WeakPolarHBondContact CA-OG 3.44Å; Q447-S450 PolarHBondContact O-OG 3.11Å; Q447-Q451 WeakPolarHBondContact O-CB 3.4Å; Q447-Q451 PolarHBondContact O-N 2.95Å
448K64.6Low62.8Low177 Ų177120.7 Ų120.777%0.7765%0.648SS**Hα-helixtrans-67.5-32.2177-170.1177.9179.5-1760112.7T444 A445T444-K448 WeakPolarHBondContact O-CB 3.35Å; T444-K448 PolarHBondContact O-N 2.85Å; A445-K448 WeakPolarHBondContact O-CB 3.44Å; A445-K448 PolarHBondContact O-N 3.4Å; A445-K448 VanDerWaalsContact O-N 3.1Å
449E62.6Low60.5Low162 Ų162121.4 Ų121.476%0.75767%0.665SS**Hα-helixtrans-80.1-35.5177.2-168.3163.6-157.700112.6A445 M446 Q447 G452A445-E449 PolarHBondContact O-N 3.16Å; M446-E449 PolarHBondContact O-N 2.87Å; Q447-E449 VanDerWaalsContact C-N 3.32Å; Q447-E449 PolarHBondContact O-N 3.14Å; E449-G452 PolarHBondContact O-N 2.81Å
450S60.2Low59.2Low98 Ų98121.1 Ų121.169%0.68568%0.676SS**Hα-helixtrans-77.9-19174.254.30000114.3M446 Q447 G452M446-S450 WeakPolarHBondContact O-CB 3.39Å; M446-S450 PolarHBondContact O-N 2.66Å; M446-S450 PolarHBondContact O-OG 3.19Å; Q447-S450 WeakPolarHBondContact CA-OG 3.44Å; Q447-S450 PolarHBondContact O-OG 3.11Å; S450-G452 PolarHBondContact O-N 2.69Å
451Q55.6Low57.8Low163 Ų163121.4 Ų121.476%0.76268%0.684SS**THydrogen-bonded Turntrans-88.838.7165.3-70.3-167.3-20.400112.9Q447Q447-Q451 WeakPolarHBondContact O-CB 3.4Å; Q447-Q451 PolarHBondContact O-N 2.95Å
452G56.4Low55.7Low55 Ų55124.6 Ų124.657%0.56771%0.713SS**  trans-57.1139.6170.600000112.2E449 S450E449-G452 PolarHBondContact O-N 2.81Å; S450-G452 PolarHBondContact O-N 2.69Å
453Y49.5Very low54.3Low229 Ų229124.7 Ų124.790%0.89872%0.716SS**  trans72.957.7168.6-102.4-87.9000119.3
454L47.3Very low53.5Low178 Ų178125.2 Ų125.293%0.93273%0.727SS**  trans-136.261.8142.3-77.9-175.3000111.9
455S45.7Very low52.3Low95 Ų95128.2 Ų128.266%0.66475%0.745SS**  trans-100.5121.4166.2-167.60000109.6E457S455-E457 PolarHBondContact O-N 2.76Å
456P49.8Very low51.4Low127 Ų127131.3 Ų131.383%0.82576%0.76SS**  trans-79.351.6-177.234-36.7000112.9S458P456-S458 VanDerWaalsContact C-N 3.34Å; P456-S458 PolarHBondContact O-N 2.65Å; P456-S458 VanDerWaalsContact O-N 3.09Å
457E46.3Very low50.6Low171 Ų171130.1 Ų130.180%0.79977%0.772SS**  trans-85.571.1179.8-167.865.9-169.300110.7S455S455-E457 PolarHBondContact O-N 2.76Å
458S46.8Very low49Very low107 Ų107129.9 Ų129.975%0.74878%0.782SS**  trans-159.689.5164.437.80000112.5P456P456-S458 VanDerWaalsContact C-N 3.34Å; P456-S458 PolarHBondContact O-N 2.65Å; P456-S458 VanDerWaalsContact O-N 3.09Å
459S39.2Very low48.4Very low118 Ų118126.8 Ų126.883%0.82578%0.783SS**  trans-148.9144.4159.5-79.60000109.8
460P54.5Low47.3Very low118 Ų118126.5 Ų126.577%0.76678%0.781SS**PPolyproline II helixtrans-71.4160.2-166.828.5-35.9000113.5A462P460-A462 PolarHBondContact O-N 3.41Å
461P50.9Low46.5Very low130 Ų130130.9 Ų130.984%0.84479%0.791SS**PPolyproline II helixtrans-58.5131.3-178.623.8-34.7000112
462A38.3Very low45.8Very low98 Ų98130.9 Ų130.981%0.8179%0.791SS**PPolyproline II helixtrans-69.1133.6-17600000112.4P460P460-A462 PolarHBondContact O-N 3.41Å
463S42.2Very low45.1Very low97 Ų97133.6 Ų133.668%0.67880%0.796SS**PPolyproline II helixtrans-68.5145.7167.9-161.90000110.2V465S463-V465 PolarHBondContact O-N 3.22Å
464P56.3Low44.8Very low129 Ų129129.9 Ų129.984%0.83879%0.79SS**PPolyproline II helixtrans-67.4120.1-178.226.9-34.8000111.8
465V41.1Very low44.4Very low133 Ų133129 Ų12981%0.80678%0.782SS**  trans-114.3154.6172.8-860000111S463S463-V465 PolarHBondContact O-N 3.22Å
466P45.2Very low44Very low119 Ų119131.4 Ų131.477%0.77378%0.782SS**  trans-84.4162.3-149.1-1330.1000114.9C468P466-C468 PolarHBondContact O-N 3.41Å
467A46.2Very low43.8Very low111 Ų111132.9 Ų132.992%0.91778%0.783SS**  trans-63.7100.4164.900000110.5
468C30.9Very low43.5Very low113 Ų113129.1 Ų129.176%0.76477%0.772SS**  trans-96.5110.7172.4-169.60000109.9P466 Q470P466-C468 PolarHBondContact O-N 3.41Å; C468-Q470 PolarHBondContact O-N 3.09Å
469S51.3Low43.3Very low111 Ų111131.8 Ų131.878%0.77678%0.776SS**  trans-75.3118.5178.454.20000111.7
470Q39Very low43.1Very low156 Ų156131.4 Ų131.473%0.72977%0.769SS**  trans-15696.8157.6-120.2169.3108.400112.6C468C468-Q470 PolarHBondContact O-N 3.09Å
471Q44Very low42.1Very low190 Ų190131.9 Ų131.989%0.88877%0.77SS**  trans-82.8119.5151.2-72.5177.1-66.900107.6
472Q40.6Very low41.3Very low163 Ų163130.8 Ų130.876%0.76277%0.765SS**  trans-115.3124.1155.3-73.8-155.8-23.900108.8I474Q472-I474 PolarHBondContact O-N 3.45Å
473V42.3Very low41Very low112 Ų112131.9 Ų131.968%0.67977%0.767SS**  trans-88.1101.6-171.2-177.40000109.5Q475V473-Q475 HydrophobicContact CG1-CG 3.83Å; V473-Q475 PolarHBondContact O-N 2.96Å; V473-Q475 VanDerWaalsContact O-N 3.14Å
474I42.4Very low40.6Very low151 Ų151132.5 Ų132.577%0.77477%0.771SS**  trans-78.993.7166.6-59.1179.7000108Q472 H476Q472-I474 PolarHBondContact O-N 3.45Å; I474-H476 PolarHBondContact O-N 3.18Å; I474-H476 VanDerWaalsContact O-N 3.1Å; I474-H476 PolarHBondContact O-ND1 3.34Å
475Q39.2Very low39.6Very low161 Ų161133 Ų13375%0.75277%0.772SS**  trans-67.8103.7177.1-63.6-175.81300110.3V473V473-Q475 HydrophobicContact CG1-CG 3.83Å; V473-Q475 PolarHBondContact O-N 2.96Å; V473-Q475 VanDerWaalsContact O-N 3.14Å
476H38.2Very low39.2Very low144 Ų144131.9 Ų131.967%0.66777%0.77SS**  trans-93.7109.6167.149.6-82.5000108.9I474 T478I474-H476 PolarHBondContact O-N 3.18Å; I474-H476 VanDerWaalsContact O-N 3.1Å; I474-H476 PolarHBondContact O-ND1 3.34Å; H476-T478 PolarHBondContact O-N 3.38Å
477N45.1Very low38.6Very low158 Ų158134.9 Ų134.985%0.84577%0.774SS**  trans-74.275.7174-85.6-11.7000110.7
478T38.8Very low37.9Very low92 Ų92136.2 Ų136.256%0.56477%0.77SS**  trans-90109.516850.40000109.8H476 T480H476-T478 PolarHBondContact O-N 3.38Å; T478-T480 PolarHBondContact O-N 3.43Å
479I43Very low38.1Very low163 Ų163137.1 Ų137.184%0.83677%0.771SS**  trans-73.496.2170-61174.4000107.7T481I479-T481 PolarHBondContact O-N 3.47Å
480T35Very low37.2Very low111 Ų111135.1 Ų135.168%0.68177%0.769SS**  trans-83.698.1179.5-57.90000110.6T478 S482T478-T480 PolarHBondContact O-N 3.43Å; T480-S482 PolarHBondContact O-N 3.05Å
481T34.3Very low36.8Very low128 Ų128133.1 Ų133.179%0.78577%0.772SS**  trans-73.4101.2164.6500000109.6I479I479-T481 PolarHBondContact O-N 3.47Å
482S33.1Very low36.2Very low107 Ų107129.1 Ų129.175%0.74877%0.765SS**  trans-86.2112-18055.70000112.2T480T480-S482 PolarHBondContact O-N 3.05Å
483S33.6Very low35.9Very low120 Ų120127.5 Ų127.584%0.83977%0.766SS**  trans-97.6109.6165.2-61.80000109.7
484S32.2Very low35.3Very low110 Ų110130.7 Ų130.777%0.76978%0.778SS**  trans-81.4122.7173.453.30000110.8
485V35.8Very low34.8Very low140 Ų140127.9 Ų127.985%0.84877%0.772SS**  trans-100.1128.5161.6-69.70000108.8
486S32.3Very low34.4Very low110 Ų110128.8 Ų128.877%0.76978%0.777SS**  trans-118.597.6180-63.50000109.2
487E32.3Very low34Very low182 Ų182128.3 Ų128.385%0.8578%0.778SS**  trans-85115.2167.7-66.8-158.9133.900109.9
488V33.3Very low33.3Very low139 Ų139127.6 Ų127.684%0.84278%0.78SS**  trans-91.5107.2166.4158.70000107.8
489V35.2Very low33.1Very low131 Ų131128.2 Ų128.279%0.79478%0.783SS**  trans-101.198.2167.9-178.70000108
490G31.3Very low32.7Very low70 Ų70129 Ų12972%0.72278%0.783SS**  trans-70.9125.7177.500000112
491S30.1Very low32.5Very low113 Ų113134.2 Ų134.279%0.7979%0.79SS**  trans-101.2128.7172.9-177.60000111
492S31.5Very low32.6Very low106 Ų106133.7 Ų133.774%0.74179%0.787SS**  trans-162.3115.9161.8-81.80000113
493T35.1Very low32.7Very low129 Ų129135.9 Ų135.979%0.79179%0.79SS**  trans50.4111.3140.661.80000120.3
494L29.9Very low33Very low179 Ų179137.2 Ų137.294%0.93779%0.788SS**  -137.3153.1126.9-167.357.9000109.1
495S30.7Very low33.2Very low92 Ų92138.8 Ų138.864%0.64379%0.787SS**  trans-113.7178.2-168.7-51.20000112.8
496Q30.8Very low34Very low181 Ų181137 Ų13785%0.84678%0.778SS**  trans79.5140.5175.8-50.4174.245.400113.2
497L31.3Very low34.4Very low133 Ų133139.5 Ų139.570%0.69678%0.782SS**  cis-149.8143.24.5-123154.5000109T499L497-T499 HydrophobicContact CD2-CG2 4.06Å
498T30.7Very low34.8Very low143 Ų143142.1 Ų142.188%0.87780%0.8SS**  trans-148.4125.5172.2-51.40000110.2
499T34.6Very low34.9Very low105 Ų105142.3 Ų142.364%0.64480%0.798SS**  trans-134.4109.7-173.848.30000113.5L497L497-T499 HydrophobicContact CD2-CG2 4.06Å
500H33.9Very low34.9Very low179 Ų179142.8 Ų142.883%0.82980%0.798SS**  trans66.4149.9146.3-73.5-87.8000122.5
501R30.6Very low35.1Very low221 Ų221146.9 Ų146.983%0.83480%0.802SS**  trans77.4137.5170-47.7-161.477.9166.74.9114.8
502T37.1Very low35.4Very low117 Ų117148.9 Ų148.972%0.71880%0.803SS**  cis-146.1148.30.7-17.40000111.3
503D35.1Very low35.6Very low153 Ų153151.6 Ų151.682%0.81881%0.807SS**  trans-145.1178.5164.2-150.4-32.5000107.8
504L38.8Very low35.6Very low149 Ų149153.1 Ų153.178%0.7881%0.808SS**  trans80.9138.1-163.3-51.1168.3000113
505N36Very low36Very low142 Ų142151.2 Ų151.276%0.75980%0.799SS**  cis-143.1158.611-119.7-12.8000112.3
506P52.7Low36.4Very low102 Ų102155.8 Ų155.866%0.66281%0.811SS**  trans-92.6157.5179.437.4-34000113.9L508P506-L508 PolarHBondContact O-N 3.44Å
507I40.4Very low36.9Very low163 Ų163153.7 Ų153.784%0.83681%0.808SS**  trans12.599.4149.2-45.8174.3000116.8
508L41.7Very low37.4Very low237 Ų237155.5 Ų155.5100%1.24182%0.818SS**  -161.80112.9-109.5169.4000111.2P506P506-L508 PolarHBondContact O-N 3.44Å

Retrieved 508 of 508 residues in 271.7 ms (Link to these results)