A0A075EKM8_HUMAN Loading...

Tyrosine-protein kinase receptor

AlphaFold DB , UniProt , Accession A0A075EKM8, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 1,253 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
1M39.1Very low52.9Low233 Ų233131.7 Ų131.7100%1.14871%0.708SS**  0123.90-65.5165.4179.400107.2
2M39Very low55.6Low192 Ų192123.1 Ų123.195%0.94666%0.663SS**  trans-114.4122.1164-80.6177.1165.100106.2
3F39.3Very low58Low185 Ų185117.3 Ų117.381%0.81164%0.635SS**PPolyproline II helixtrans-72.3139.9166.8-76.1-92000108.1
4P53.5Low60.3Low113 Ų113109.9 Ų109.973%0.73460%0.596SS**PPolyproline II helixtrans-61.4143.216828.4-33.5000109
5N40Very low62.5Low156 Ų156102.9 Ų102.983%0.83456%0.558SS**PPolyproline II helixtrans-57.1134.4167.1-88.6-25.8000108.4E7N5-E7 PolarHBondContact O-N 3.42Å
6P47.9Very low64.4Low115 Ų115100.9 Ų100.975%0.74755%0.547SS*.PPolyproline II helixtrans-60.8135.8175.126.4-33.7000109.3
7E51.3Low66Low177 Ų177101.8 Ų101.883%0.82754%0.544SS*.PPolyproline II helixtrans-59.2139.7171.9-65.6-165.2133.700109.5N5N5-E7 PolarHBondContact O-N 3.42Å
8P57.7Low67.5Low81 Ų8196.2 Ų96.253%0.52652%0.515SS..PPolyproline II helixtrans-61.2132.5176.726-33.4000109T12 V13P8-T12 HydrophobicContact CB-CG2 4.16Å; P8-V13 HydrophobicContact CB-CG2 4.35Å; P8-V13 HydrophobicContact CG-CG2 3.94Å
9P67.6Low69Low69 Ų6991.3 Ų91.345%0.44849%0.488SS..PPolyproline II helixtrans-56.5148.2-174.219.8-31.3000111.4E11 T12 V13P9-E11 PolarHBondContact O-N 3.27Å; P9-T12 WeakPolarHBondContact O-CB 3.26Å; P9-T12 PolarHBondContact O-N 2.68Å; P9-V13 PolarHBondContact O-N 3.15Å
10P70.3Confident70.3Confident94 Ų9488.6 Ų88.661%0.6147%0.474SS*.Hα-helixtrans-59.8-22.8-169.922.5-34000113.6S14P10-S14 WeakPolarHBondContact O-CB 3.34Å; P10-S14 PolarHBondContact O-N 3.21Å; P10-S14 PolarHBondContact O-OG 3.2Å
11E76.6Confident71.4Confident34 Ų3488.6 Ų88.616%0.15948%0.477CS..Hα-helixtrans-68.3-48.2173-66.3166.3-166.900111.4P9 V13 S14 I15 T33 G37 H40P9-E11 PolarHBondContact O-N 3.27Å; E11-V13 VanDerWaalsContact C-N 3.29Å; E11-V13 PolarHBondContact O-N 3.39Å; E11-S14 CarbonylContact O-C 3.56Å; E11-S14 WeakPolarHBondContact O-CA 3.41Å; E11-S14 WeakPolarHBondContact O-CB 3.42Å; E11-S14 PolarHBondContact O-N 3.29Å; E11-I15 WeakPolarHBondContact O-CG1 3.45Å; E11-I15 PolarHBondContact O-N 3.37Å; E11-T33 HydrophobicContact CG-CG2 4.3Å; E11-G37 VanDerWaalsContact OE1-CA 3.32Å; E11-G37 WeakPolarHBondContact OE1-CA 3.42Å; E11-G37 WeakPolarHBondContact OE2-CA 3.48Å; E11-H40 IonicContact OE1-CE1 3.09Å; E11-H40 IonicContact OE1-CG 3.56Å; E11-H40 IonicContact OE1-ND1 3.53Å; E11-H40 PolarHBondContact OE1-ND1 3.31Å
12T85.3Confident73.9Confident28 Ų2883.6 Ų83.617%0.17245%0.451CS..Hα-helixtrans-55.7-42.8172-69.90000112.1P8 P9 S14 N16 V50P8-T12 HydrophobicContact CB-CG2 4.16Å; P9-T12 WeakPolarHBondContact O-CB 3.26Å; P9-T12 PolarHBondContact O-N 2.68Å; T12-S14 VanDerWaalsContact C-N 3.27Å; T12-S14 PolarHBondContact O-N 3.09Å; T12-N16 PolarHBondContact O-N 3.04Å; T12-N16 PolarHBondContact O-ND2 3.18Å; T12-V50 HydrophobicContact CG2-CG2 3.8Å
13V86.4Confident76.5Confident48 Ų4877.6 Ų77.629%0.29142%0.421SS..Hα-helixtrans-65.3-33.4176.31770000111.3P8 P9 E11 K17P8-V13 HydrophobicContact CB-CG2 4.35Å; P8-V13 HydrophobicContact CG-CG2 3.94Å; P9-V13 PolarHBondContact O-N 3.15Å; E11-V13 VanDerWaalsContact C-N 3.29Å; E11-V13 PolarHBondContact O-N 3.39Å; V13-K17 HydrophobicContact CG1-CD 4.03Å; V13-K17 VanDerWaalsContact CG1-NZ 3.28Å; V13-K17 WeakPolarHBondContact O-CB 3.4Å; V13-K17 WeakPolarHBondContact O-CD 3.31Å; V13-K17 VanDerWaalsContact O-CG 3.23Å; V13-K17 WeakPolarHBondContact O-CG 3.46Å; V13-K17 PolarHBondContact O-N 3.19Å
14S90.3Very high79Confident13 Ų1371.4 Ų71.49%0.09140%0.398CS..Hα-helixtrans-78-37.8179.2-62.40000112.9P10 E11 T12 K17 A18 T33P10-S14 WeakPolarHBondContact O-CB 3.34Å; P10-S14 PolarHBondContact O-N 3.21Å; P10-S14 PolarHBondContact O-OG 3.2Å; E11-S14 CarbonylContact O-C 3.56Å; E11-S14 WeakPolarHBondContact O-CA 3.41Å; E11-S14 WeakPolarHBondContact O-CB 3.42Å; E11-S14 PolarHBondContact O-N 3.29Å; T12-S14 VanDerWaalsContact C-N 3.27Å; T12-S14 PolarHBondContact O-N 3.09Å; S14-K17 CarbonylContact O-C 3.38Å; S14-K17 PolarHBondContact O-N 2.71Å; S14-A18 WeakPolarHBondContact O-CB 3.34Å; S14-A18 PolarHBondContact O-N 3.09Å; S14-T33 WeakPolarHBondContact OG-CG2 3.31Å
15I93.1Very high80.8Confident5 Ų566.9 Ų66.93%0.02637%0.37CS..Hα-helixtrans-59.5-48.8173.5-63.8155.8000110E11 K17 A18 I19 C34 T46 F47 V50E11-I15 WeakPolarHBondContact O-CG1 3.45Å; E11-I15 PolarHBondContact O-N 3.37Å; I15-K17 VanDerWaalsContact C-N 3.29Å; I15-K17 PolarHBondContact O-N 3.45Å; I15-A18 PolarHBondContact O-N 3.42Å; I15-A18 VanDerWaalsContact O-N 3.16Å; I15-I19 HydrophobicContact CG2-CD1 4.11Å; I15-I19 PolarHBondContact O-N 2.98Å; I15-C34 VanDerWaalsContact CG1-SG 3.59Å; I15-T46 HydrophobicContact CD1-CG2 4.16Å; I15-F47 HydrophobicContact CG1-CD2 4.41Å; I15-F47 HydrophobicContact CG2-CD2 4.39Å; I15-V50 HydrophobicContact CB-CG1 4.1Å; I15-V50 HydrophobicContact CD1-CB 4.3Å; I15-V50 HydrophobicContact CD1-CG2 4.15Å; I15-V50 HydrophobicContact CG2-CB 4.02Å; I15-V50 HydrophobicContact CG2-CG1 3.58Å
16N92.4Very high83.3Confident72 Ų7260.5 Ų60.539%0.38534%0.337SS..Hα-helixtrans-65.1-29.1176.6-76-82.5000113.2T12 V50T12-N16 PolarHBondContact O-N 3.04Å; T12-N16 PolarHBondContact O-ND2 3.18Å; N16-V50 WeakPolarHBondContact ND2-CG1 3.2Å
17K92.3Very high85.3Confident115 Ų11561.4 Ų61.450%0.533%0.329SS..Hα-helixtrans-78-27173.8-75.6170.5-176.3170.40112.8V13 S14 I15 N20V13-K17 HydrophobicContact CG1-CD 4.03Å; V13-K17 VanDerWaalsContact CG1-NZ 3.28Å; V13-K17 WeakPolarHBondContact O-CB 3.4Å; V13-K17 WeakPolarHBondContact O-CD 3.31Å; V13-K17 VanDerWaalsContact O-CG 3.23Å; V13-K17 WeakPolarHBondContact O-CG 3.46Å; V13-K17 PolarHBondContact O-N 3.19Å; S14-K17 CarbonylContact O-C 3.38Å; S14-K17 PolarHBondContact O-N 2.71Å; I15-K17 VanDerWaalsContact C-N 3.29Å; I15-K17 PolarHBondContact O-N 3.45Å; K17-N20 PolarHBondContact O-ND2 2.87Å
18A92.9Very high87Confident1 Ų158.5 Ų58.51%0.00832%0.316CS..Hα-helixtrans-79-52.1174.400000111.8S14 I15 N20 V26 H30 V69S14-A18 WeakPolarHBondContact O-CB 3.34Å; S14-A18 PolarHBondContact O-N 3.09Å; I15-A18 PolarHBondContact O-N 3.42Å; I15-A18 VanDerWaalsContact O-N 3.16Å; A18-N20 PolarHBondContact O-N 3.34Å; A18-V26 HydrophobicContact CB-CG1 3.91Å; A18-H30 HydrophobicContact CB-CB 4.1Å; A18-V69 HydrophobicContact CB-CG2 3.86Å
19I96.6Very high88.5Confident3 Ų361.3 Ų61.32%0.01532%0.32CS..SBendtrans-95.683-178.1-48.7173.6000108.9I15 F47 V51 L54 L56 L62 K65 F66 V69I15-I19 HydrophobicContact CG2-CD1 4.11Å; I15-I19 PolarHBondContact O-N 2.98Å; I19-F47 HydrophobicContact CD1-CE2 3.98Å; I19-F47 HydrophobicContact CD1-CZ 4.43Å; I19-V51 HydrophobicContact CD1-CG2 3.9Å; I19-L54 HydrophobicContact CB-CD1 3.88Å; I19-L54 HydrophobicContact CD1-CD1 4.3Å; I19-L54 HydrophobicContact CG2-CD1 3.64Å; I19-L56 HydrophobicContact CG2-CD2 4.42Å; I19-L62 HydrophobicContact CG2-CD2 4.09Å; I19-L62 WeakPolarHBondContact CG2-O 3.5Å; I19-L62 WeakPolarHBondContact O-CD2 3.48Å; I19-K65 HydrophobicContact CG2-CB 4.33Å; I19-F66 HydrophobicContact CD1-CB 4.2Å; I19-F66 HydrophobicContact CD1-CD2 4.35Å; I19-F66 HydrophobicContact CG2-CB 4.09Å; I19-V69 HydrophobicContact CD1-CB 4.41Å; I19-V69 HydrophobicContact CG1-CB 4.29Å; I19-V69 HydrophobicContact CG1-CG2 4.01Å
20N94.3Very high89.7Confident38 Ų3859.6 Ų59.620%0.20331%0.305CS..  trans-128161.8-177.272.456.7000112.5K17 A18 Q22 L62 K65K17-N20 PolarHBondContact O-ND2 2.87Å; A18-N20 PolarHBondContact O-N 3.34Å; N20-Q22 VanDerWaalsContact C-N 3.28Å; N20-Q22 PolarHBondContact O-N 3.04Å; N20-Q22 WeakPolarHBondContact OD1-CB 3.47Å; N20-Q22 PolarHBondContact OD1-N 3.02Å; N20-L62 VanDerWaalsContact CA-CD2 3.5Å; N20-K65 WeakPolarHBondContact O-CD 3.38Å; N20-K65 PolarHBondContact OD1-NZ 3.25Å
21T93.3Very high90.7Very high88 Ų8855.3 Ų55.354%0.5428%0.278SS..SBendtrans-74.1-7-174.750.60000115.4L62T21-L62 HydrophobicContact CG2-CD1 3.9Å; T21-L62 HydrophobicContact CG2-CD2 4.03Å; T21-L62 HydrophobicContact CG2-CG 3.84Å
22Q92.3Very high91.5Very high128 Ų12861.9 Ų61.960%0.59830%0.301SS*.SBendtrans-79.2134.2-176.9-55.9178.2-20.600110.4N20 V24 K65N20-Q22 VanDerWaalsContact C-N 3.28Å; N20-Q22 PolarHBondContact O-N 3.04Å; N20-Q22 WeakPolarHBondContact OD1-CB 3.47Å; N20-Q22 PolarHBondContact OD1-N 3.02Å; Q22-V24 HydrophobicContact CB-CG2 4.25Å; Q22-V24 PolarHBondContact O-N 3.32Å; Q22-K65 WeakPolarHBondContact O-CE 3.49Å; Q22-K65 PolarHBondContact O-NZ 3.26Å
23E92.4Very high91.8Very high66 Ų6662.8 Ų62.831%0.30831%0.307SS..SBendtrans-79.267.2-179.9-152.6-173.4169.400112.1Y106 A187 A188 C191 R192E23-Y106 VanDerWaalsContact CD-OH 3.32Å; E23-Y106 HydrophobicContact CG-CE2 4.05Å; E23-Y106 VanDerWaalsContact CG-OH 3.23Å; E23-Y106 WeakPolarHBondContact CG-OH 3.5Å; E23-Y106 WeakPolarHBondContact OE1-CE2 3.41Å; E23-Y106 VanDerWaalsContact OE1-CZ 3.3Å; E23-Y106 PolarHBondContact OE1-OH 3.27Å; E23-A187 CarbonylContact O-C 3.57Å; E23-A187 VanDerWaalsContact O-C 3.29Å; E23-A188 VanDerWaalsContact CD-CB 3.48Å; E23-A188 HydrophobicContact CG-CB 4.07Å; E23-A188 PolarHBondContact O-N 3.22Å; E23-A188 WeakPolarHBondContact OE1-CB 3.48Å; E23-C191 HydrophobicContact CG-CB 4.21Å; E23-R192 IonicContact OE1-CZ 3.67Å; E23-R192 IonicContact OE1-NE 3.67Å; E23-R192 PolarHBondContact OE1-NE 2.76Å; E23-R192 VanDerWaalsContact OE1-NE 3.14Å; E23-R192 IonicContact OE1-NH2 3.49Å; E23-R192 PolarHBondContact OE1-NH2 3.39Å; E23-R192 IonicContact OE2-NH2 2.67Å
24V92Very high92.1Very high55 Ų5560.8 Ų60.833%0.33330%0.295SS..SBendtrans-138.4138.7-177.5-1720000108.8Q22 K65 A187Q22-V24 HydrophobicContact CB-CG2 4.25Å; Q22-V24 PolarHBondContact O-N 3.32Å; V24-K65 WeakPolarHBondContact O-CE 3.49Å; V24-K65 PolarHBondContact O-NZ 2.69Å; V24-A187 HydrophobicContact CG1-CB 4.47Å; V24-A187 HydrophobicContact CG2-CB 4.24Å
25A91.3Very high92.3Very high19 Ų1961.3 Ų61.316%0.15730%0.297CS..PPolyproline II helixtrans-48.5144.717700000113.4K27 Q190 A194A25-K27 PolarHBondContact O-N 2.91Å; A25-Q190 HydrophobicContact CB-CB 4.19Å; A25-A194 HydrophobicContact CB-CB 4.18Å
26V93.1Very high92.2Very high21 Ų2164.9 Ų64.913%0.12732%0.315CS..PPolyproline II helixtrans-67.2121.6179.3178.90000109A18 E28 A31 K65 V69A18-V26 HydrophobicContact CB-CG1 3.91Å; V26-E28 PolarHBondContact O-N 3.36Å; V26-A31 HydrophobicContact CG1-CB 4.29Å; V26-K65 HydrophobicContact CG2-CB 4.24Å; V26-K65 HydrophobicContact CG2-CD 4.18Å; V26-K65 HydrophobicContact CG2-CG 3.99Å; V26-V69 HydrophobicContact CG1-CG2 4.04Å; V26-V69 HydrophobicContact CG2-CG2 4.39Å
27K90.2Very high92.2Very high135 Ų13561.6 Ų61.659%0.58730%0.298SS*.PPolyproline II helixtrans-71.4124.6-177.1-62-174.5179.6-176.80110.5A25 K29 H30 A31A25-K27 PolarHBondContact O-N 2.91Å; K27-K29 VanDerWaalsContact C-N 3.27Å; K27-K29 PolarHBondContact O-N 3.37Å; K27-K29 VanDerWaalsContact O-N 3.09Å; K27-H30 PolarHBondContact O-N 3.33Å; K27-A31 PolarHBondContact O-N 3.18Å
28E87.6Confident92.3Very high116 Ų11656.2 Ų56.254%0.54228%0.275SS..Hα-helixtrans-39-52.7-177.6-163.371.6-99.800113V26 H30 A31 R32 K72V26-E28 PolarHBondContact O-N 3.36Å; E28-H30 VanDerWaalsContact C-N 3.26Å; E28-H30 PolarHBondContact O-N 3.43Å; E28-H30 VanDerWaalsContact O-N 3.15Å; E28-A31 PolarHBondContact O-N 3.28Å; E28-A31 VanDerWaalsContact O-N 3.07Å; E28-R32 WeakPolarHBondContact O-CB 3.35Å; E28-R32 PolarHBondContact O-N 2.87Å; E28-K72 IonicContact OE1-NZ 3.38Å; E28-K72 PolarHBondContact OE1-NZ 3.13Å
29K88.6Confident92.3Very high140 Ų14059.8 Ų59.861%0.60929%0.291SS*.Hα-helixtrans-54.7-36.3-178.568.3180-176.51780114.4K27 T33K27-K29 VanDerWaalsContact C-N 3.27Å; K27-K29 PolarHBondContact O-N 3.37Å; K27-K29 VanDerWaalsContact O-N 3.09Å; K29-T33 PolarHBondContact O-N 3.37Å; K29-T33 VanDerWaalsContact O-N 3.07Å; K29-T33 PolarHBondContact O-OG1 3.2Å
30H92.5Very high92Very high32 Ų3266 Ų6615%0.14832%0.32CS..Hα-helixtrans-78.3-36.7179.4-64.2-47.3000111.8A18 K27 E28 T33 C34A18-H30 HydrophobicContact CB-CB 4.1Å; K27-H30 PolarHBondContact O-N 3.33Å; E28-H30 VanDerWaalsContact C-N 3.26Å; E28-H30 PolarHBondContact O-N 3.43Å; E28-H30 VanDerWaalsContact O-N 3.15Å; H30-T33 PolarHBondContact O-N 3.39Å; H30-C34 PolarHBondContact O-N 3.14Å; H30-C34 PolarHBondContact O-SG 2.98Å
31A91.8Very high91.8Very high4 Ų466.5 Ų66.53%0.03332%0.321CS..Hα-helixtrans-64.1-43171.400000111.4V26 K27 E28 T33 C34 I35 K72V26-A31 HydrophobicContact CG1-CB 4.29Å; K27-A31 PolarHBondContact O-N 3.18Å; E28-A31 PolarHBondContact O-N 3.28Å; E28-A31 VanDerWaalsContact O-N 3.07Å; A31-T33 PolarHBondContact O-N 3.46Å; A31-C34 WeakPolarHBondContact O-CB 3.34Å; A31-C34 PolarHBondContact O-N 3.23Å; A31-C34 VanDerWaalsContact O-N 3.11Å; A31-I35 WeakPolarHBondContact O-CG1 3.44Å; A31-I35 PolarHBondContact O-N 3.17Å; A31-K72 HydrophobicContact CB-CD 3.97Å
32R92.1Very high91.8Very high172 Ų17269 Ų6965%0.64932%0.324SS*.Hα-helixtrans-60.5-42.2175.2-172.1174177.4179.7-1.6112.3E28 C34 I35 L36E28-R32 WeakPolarHBondContact O-CB 3.35Å; E28-R32 PolarHBondContact O-N 2.87Å; R32-C34 VanDerWaalsContact C-N 3.34Å; R32-C34 PolarHBondContact O-N 3.27Å; R32-I35 PolarHBondContact O-N 3.36Å; R32-L36 HydrophobicContact CG-CD1 4.15Å; R32-L36 WeakPolarHBondContact O-CG 3.5Å; R32-L36 PolarHBondContact O-N 2.97Å
33T92.4Very high91.8Very high47 Ų4763 Ų6329%0.28830%0.296SS..Hα-helixtrans-64-36.8172.9-54.60000112.4E11 S14 K29 H30 A31 G37E11-T33 HydrophobicContact CG-CG2 4.3Å; S14-T33 WeakPolarHBondContact OG-CG2 3.31Å; K29-T33 PolarHBondContact O-N 3.37Å; K29-T33 VanDerWaalsContact O-N 3.07Å; K29-T33 PolarHBondContact O-OG1 3.2Å; H30-T33 PolarHBondContact O-N 3.39Å; A31-T33 PolarHBondContact O-N 3.46Å; T33-G37 PolarHBondContact O-N 3.11Å
34C93.3Very high91.8Very high6 Ų659.8 Ų59.84%0.04128%0.282CS..Hα-helixtrans-64.3-44.1174.3-61.50000111.6I15 H30 A31 R32 G37 T38 V69 L73I15-C34 VanDerWaalsContact CG1-SG 3.59Å; H30-C34 PolarHBondContact O-N 3.14Å; H30-C34 PolarHBondContact O-SG 2.98Å; A31-C34 WeakPolarHBondContact O-CB 3.34Å; A31-C34 PolarHBondContact O-N 3.23Å; A31-C34 VanDerWaalsContact O-N 3.11Å; R32-C34 VanDerWaalsContact C-N 3.34Å; R32-C34 PolarHBondContact O-N 3.27Å; C34-G37 PolarHBondContact O-N 3.16Å; C34-T38 PolarHBondContact O-N 3.23Å; C34-V69 HydrophobicContact CB-CG1 4.39Å; C34-L73 HydrophobicContact CB-CD2 4.14Å
35I94.1Very high91.8Very high25 Ų2562.8 Ų62.813%0.12829%0.292CS..Hα-helixtrans-59.5-52.9176.4-67.4160.9000110.4A31 R32 G37 T38 H39 K72 L73 D76A31-I35 WeakPolarHBondContact O-CG1 3.44Å; A31-I35 PolarHBondContact O-N 3.17Å; R32-I35 PolarHBondContact O-N 3.36Å; I35-G37 VanDerWaalsContact C-N 3.29Å; I35-G37 PolarHBondContact O-N 3.41Å; I35-T38 PolarHBondContact O-N 3.4Å; I35-T38 VanDerWaalsContact O-N 3.08Å; I35-T38 PolarHBondContact O-OG1 2.78Å; I35-H39 PolarHBondContact O-CD2 2.77Å; I35-H39 PolarHBondContact O-N 3.24Å; I35-K72 HydrophobicContact CD1-CB 4.35Å; I35-L73 HydrophobicContact CB-CD2 4.34Å; I35-L73 HydrophobicContact CG1-CD2 3.82Å; I35-D76 HydrophobicContact CD1-CB 4.11Å; I35-D76 HydrophobicContact CG1-CB 4.47Å; I35-D76 HydrophobicContact CG2-CB 4.16Å; I35-D76 WeakPolarHBondContact CG2-O 3.24Å
36L91.8Very high91.8Very high80 Ų8063.6 Ų63.642%0.41930%0.295SS..Hα-helixtrans-58.3-40.3179.5-69.9170000112.1R32 T38 H39 H40R32-L36 HydrophobicContact CG-CD1 4.15Å; R32-L36 WeakPolarHBondContact O-CG 3.5Å; R32-L36 PolarHBondContact O-N 2.97Å; L36-T38 VanDerWaalsContact C-N 3.32Å; L36-T38 PolarHBondContact O-N 3.01Å; L36-H39 PolarHBondContact O-N 2.83Å; L36-H40 PolarHBondContact O-N 2.91Å
37G91.6Very high91.9Very high2 Ų262.8 Ų62.82%0.02129%0.29CS..Hα-helixtrans-56.6-41.9174.400000113.4E11 T33 C34 I35 H39 H40 E41E11-G37 VanDerWaalsContact OE1-CA 3.32Å; E11-G37 WeakPolarHBondContact OE1-CA 3.42Å; E11-G37 WeakPolarHBondContact OE2-CA 3.48Å; T33-G37 PolarHBondContact O-N 3.11Å; C34-G37 PolarHBondContact O-N 3.16Å; I35-G37 VanDerWaalsContact C-N 3.29Å; I35-G37 PolarHBondContact O-N 3.41Å; G37-H39 PolarHBondContact O-N 2.67Å; G37-H40 WeakPolarHBondContact O-CB 3.43Å; G37-H40 PolarHBondContact O-N 3.1Å; G37-H40 VanDerWaalsContact O-N 3.11Å; G37-E41 WeakPolarHBondContact O-CG 3.5Å; G37-E41 PolarHBondContact O-N 3.41Å
38T94.8Very high92.1Very high2 Ų256.5 Ų56.51%0.01226%0.262CS..Hα-helixtrans-61.6-31.6176.3660000113.4C34 I35 L36 K42 G43 L73 G77 H78 V81C34-T38 PolarHBondContact O-N 3.23Å; I35-T38 PolarHBondContact O-N 3.4Å; I35-T38 VanDerWaalsContact O-N 3.08Å; I35-T38 PolarHBondContact O-OG1 2.78Å; L36-T38 VanDerWaalsContact C-N 3.32Å; L36-T38 PolarHBondContact O-N 3.01Å; T38-K42 CarbonylContact O-C 3.55Å; T38-K42 VanDerWaalsContact O-CA 3.3Å; T38-K42 WeakPolarHBondContact O-CA 3.49Å; T38-K42 PolarHBondContact O-N 2.9Å; T38-G43 WeakPolarHBondContact CA-O 3.49Å; T38-G43 WeakPolarHBondContact CB-O 3.29Å; T38-G43 WeakPolarHBondContact CG2-O 3.5Å; T38-G43 PolarHBondContact O-N 3.29Å; T38-L73 HydrophobicContact CG2-CD1 4.15Å; T38-L73 HydrophobicContact CG2-CD2 3.82Å; T38-L73 HydrophobicContact CG2-CG 4.48Å; T38-G77 VanDerWaalsContact OG1-CA 3.28Å; T38-G77 WeakPolarHBondContact OG1-CA 3.31Å; T38-H78 WeakPolarHBondContact O-CB 3.25Å; T38-H78 PolarHBondContact OG1-N 3.33Å; T38-H78 VanDerWaalsContact OG1-N 3.08Å; T38-V81 HydrophobicContact CG2-CG2 3.65Å
39H92.2Very high92.4Very high77 Ų7753.8 Ų53.836%0.35626%0.256SS..Hα-helixtrans-77.3-35174.8-69.1-79000112.2I35 L36 G37 D76 H78I35-H39 PolarHBondContact O-CD2 2.77Å; I35-H39 PolarHBondContact O-N 3.24Å; L36-H39 PolarHBondContact O-N 2.83Å; G37-H39 PolarHBondContact O-N 2.67Å; H39-D76 PolarHBondContact NE2-O 3.36Å; H39-H78 PolarHBondContact CE1-N 3.34Å; H39-H78 AromaticContact ND1-CD2 3.78Å; H39-H78 PolarHBondContact NE2-N 3.23Å
40H90.8Very high92.6Very high132 Ų13247.7 Ų47.761%0.61123%0.231SC*.Hα-helixtrans-63.8-49.6171.4-58.3156.5000112.1E11 L36 G37 K42E11-H40 IonicContact OE1-CE1 3.09Å; E11-H40 IonicContact OE1-CG 3.56Å; E11-H40 IonicContact OE1-ND1 3.53Å; E11-H40 PolarHBondContact OE1-ND1 3.31Å; L36-H40 PolarHBondContact O-N 2.91Å; G37-H40 WeakPolarHBondContact O-CB 3.43Å; G37-H40 PolarHBondContact O-N 3.1Å; G37-H40 VanDerWaalsContact O-N 3.11Å; H40-K42 VanDerWaalsContact C-N 3.29Å; H40-K42 PolarHBondContact O-N 3.3Å
41E90.6Very high92.7Very high50 Ų5046.4 Ų46.423%0.23423%0.225CC..THydrogen-bonded Turntrans-83-3.5-179.179.2179.3169.400113.9G37 G43 A44 Q45 T46G37-E41 WeakPolarHBondContact O-CG 3.5Å; G37-E41 PolarHBondContact O-N 3.41Å; E41-G43 PolarHBondContact O-N 3.49Å; E41-A44 WeakPolarHBondContact OE1-CA 3.38Å; E41-Q45 PolarHBondContact OE1-N 2.94Å; E41-T46 VanDerWaalsContact CD-N 3.31Å; E41-T46 PolarHBondContact OE1-N 3.33Å; E41-T46 WeakPolarHBondContact OE2-CB 3.11Å; E41-T46 PolarHBondContact OE2-N 3.36Å; E41-T46 PolarHBondContact OE2-OG1 3.43Å
42K93.2Very high92.8Very high140 Ų14050 Ų5061%0.60924%0.244SC*.THydrogen-bonded Turntrans54.233.2-177.5-59-176.8180-178.80113.8T38 H40 H78 N80T38-K42 CarbonylContact O-C 3.55Å; T38-K42 VanDerWaalsContact O-CA 3.3Å; T38-K42 WeakPolarHBondContact O-CA 3.49Å; T38-K42 PolarHBondContact O-N 2.9Å; H40-K42 VanDerWaalsContact C-N 3.29Å; H40-K42 PolarHBondContact O-N 3.3Å; K42-H78 WeakPolarHBondContact CA-ND1 3.46Å; K42-H78 PolarHBondContact O-CE1 3.44Å; K42-H78 VanDerWaalsContact O-CE1 3.3Å; K42-H78 PolarHBondContact O-ND1 3.38Å; K42-N80 VanDerWaalsContact O-CB 3.3Å; K42-N80 WeakPolarHBondContact O-CB 3.43Å; K42-N80 PolarHBondContact O-ND2 3.11Å
43G91.6Very high92.8Very high1 Ų151.2 Ų51.21%0.0125%0.248CC..SBendtrans-175.5-157.9-171.900000112.7T38 E41 D84T38-G43 WeakPolarHBondContact CA-O 3.49Å; T38-G43 WeakPolarHBondContact CB-O 3.29Å; T38-G43 WeakPolarHBondContact CG2-O 3.5Å; T38-G43 PolarHBondContact O-N 3.29Å; E41-G43 PolarHBondContact O-N 3.49Å; G43-D84 WeakPolarHBondContact CA-OD2 3.46Å
44A93.3Very high92.9Very high0 Ų050.4 Ų50.40%024%0.242CC..SBendtrans-12826175.700000112.6E41 F47 W48 V81 D84E41-A44 WeakPolarHBondContact OE1-CA 3.38Å; A44-F47 HydrophobicContact CB-CB 4.41Å; A44-F47 PolarHBondContact O-N 3.05Å; A44-W48 PolarHBondContact O-N 3.45Å; A44-V81 HydrophobicContact CB-CB 4.32Å; A44-V81 HydrophobicContact CB-CG1 4.15Å; A44-V81 HydrophobicContact CB-CG2 4.13Å; A44-D84 HydrophobicContact CB-CB 4.11Å; A44-D84 PolarHBondContact N-OD2 2.96Å
45Q91Very high92.8Very high118 Ų11853.1 Ų53.155%0.55126%0.26SS*.Hα-helixtrans-65.7-45.4-170.6-55.8-167.813.400112.2E41 S49E41-Q45 PolarHBondContact OE1-N 2.94Å; Q45-S49 WeakPolarHBondContact O-CB 3.39Å; Q45-S49 PolarHBondContact O-N 2.77Å
46T90.9Very high92.8Very high36 Ų3652.4 Ų52.422%0.22126%0.256CS..Hα-helixtrans-69.3-39.4177-610000110.8I15 E41 S49 V50I15-T46 HydrophobicContact CD1-CG2 4.16Å; E41-T46 VanDerWaalsContact CD-N 3.31Å; E41-T46 PolarHBondContact OE1-N 3.33Å; E41-T46 WeakPolarHBondContact OE2-CB 3.11Å; E41-T46 PolarHBondContact OE2-N 3.36Å; E41-T46 PolarHBondContact OE2-OG1 3.43Å; T46-S49 PolarHBondContact O-N 3.09Å; T46-V50 WeakPolarHBondContact O-CG2 3.12Å; T46-V50 PolarHBondContact O-N 2.82Å; T46-V50 VanDerWaalsContact O-N 3.1Å
47F95.3Very high92.6Very high3 Ų351.9 Ų51.91%0.01326%0.259CS..Hα-helixtrans-55.4-56.4174.1178.9-107.1000111.7I15 I19 A44 V50 V51 F66 V69 F70 L73I15-F47 HydrophobicContact CG1-CD2 4.41Å; I15-F47 HydrophobicContact CG2-CD2 4.39Å; I19-F47 HydrophobicContact CD1-CE2 3.98Å; I19-F47 HydrophobicContact CD1-CZ 4.43Å; A44-F47 HydrophobicContact CB-CB 4.41Å; A44-F47 PolarHBondContact O-N 3.05Å; F47-V50 PolarHBondContact O-N 2.79Å; F47-V51 HydrophobicContact CD1-CG2 4.3Å; F47-V51 HydrophobicContact CD2-CG2 4.1Å; F47-V51 HydrophobicContact CE1-CG2 3.98Å; F47-V51 HydrophobicContact CE2-CG2 3.76Å; F47-V51 HydrophobicContact CG-CG2 4.37Å; F47-V51 HydrophobicContact CZ-CG2 3.7Å; F47-V51 WeakPolarHBondContact O-CB 3.19Å; F47-V51 WeakPolarHBondContact O-CG2 3.45Å; F47-V51 PolarHBondContact O-N 2.86Å; F47-F66 HydrophobicContact CE1-CD2 4.43Å; F47-F66 AromaticContact CE1-CE2 3.88Å; F47-F66 HydrophobicContact CE1-CE2 3.88Å; F47-F66 AromaticContact CZ-CD2 3.92Å; F47-F66 HydrophobicContact CZ-CD2 3.92Å; F47-F66 AromaticContact CZ-CE2 3.8Å; F47-F66 HydrophobicContact CZ-CE2 3.8Å; F47-V69 HydrophobicContact CE2-CG1 3.8Å; F47-V69 HydrophobicContact CZ-CG1 4.48Å; F47-F70 HydrophobicContact CE1-CB 4.22Å; F47-F70 AromaticContact CE1-CD2 3.69Å; F47-F70 HydrophobicContact CE1-CD2 3.69Å; F47-F70 HydrophobicContact CE1-CE2 4.49Å; F47-F70 HydrophobicContact CE1-CG 4.2Å; F47-F70 HydrophobicContact CZ-CB 3.96Å; F47-F70 HydrophobicContact CZ-CD2 4.23Å; F47-F70 HydrophobicContact CZ-CG 4.44Å; F47-L73 HydrophobicContact CB-CD1 4.11Å; F47-L73 HydrophobicContact CD1-CD1 3.83Å; F47-L73 HydrophobicContact CD2-CD1 3.38Å; F47-L73 HydrophobicContact CE1-CD1 4.04Å; F47-L73 HydrophobicContact CE2-CD1 3.61Å; F47-L73 HydrophobicContact CG-CD1 3.49Å; F47-L73 VanDerWaalsContact CG-CD1 3.49Å; F47-L73 HydrophobicContact CZ-CD1 3.93Å
48W95Very high92.5Very high4 Ų456.2 Ų56.22%0.01529%0.289CS..Hα-helixtrans-69.2-33.6-179.8-71.5113.2000113.4A44 V50 V51 N52 F66 F70 S85 Y88 L92A44-W48 PolarHBondContact O-N 3.45Å; W48-V50 PolarHBondContact O-N 3.45Å; W48-V51 HydrophobicContact CE3-CB 4.26Å; W48-V51 HydrophobicContact CE3-CG1 3.8Å; W48-V51 HydrophobicContact CZ3-CG1 3.88Å; W48-V51 PolarHBondContact O-N 3.49Å; W48-N52 WeakPolarHBondContact O-CB 3.47Å; W48-N52 VanDerWaalsContact O-CG 3.23Å; W48-N52 PolarHBondContact O-N 2.99Å; W48-N52 PolarHBondContact O-OD1 2.97Å; W48-N52 VanDerWaalsContact O-OD1 3.13Å; W48-F66 AromaticContact CH2-CE2 3.95Å; W48-F66 HydrophobicContact CH2-CE2 3.95Å; W48-F66 AromaticContact CH2-CZ 3.7Å; W48-F66 HydrophobicContact CH2-CZ 3.7Å; W48-F66 AromaticContact CZ3-CE2 3.97Å; W48-F66 HydrophobicContact CZ3-CE2 3.97Å; W48-F66 AromaticContact CZ3-CZ 3.99Å; W48-F66 HydrophobicContact CZ3-CZ 3.99Å; W48-F70 HydrophobicContact CH2-CE1 4.47Å; W48-F70 HydrophobicContact CH2-CZ 4.45Å; W48-F70 HydrophobicContact CZ2-CD2 4.22Å; W48-F70 HydrophobicContact CZ2-CE1 4.18Å; W48-F70 AromaticContact CZ2-CE2 3.74Å; W48-F70 HydrophobicContact CZ2-CE2 3.74Å; W48-F70 AromaticContact CZ2-CZ 3.73Å; W48-F70 HydrophobicContact CZ2-CZ 3.73Å; W48-S85 PolarHBondContact NE1-OG 3.33Å; W48-Y88 HydrophobicContact CB-CE2 3.65Å; W48-Y88 AromaticContact CD1-CE2 3.64Å; W48-Y88 AromaticContact CD2-CD2 3.34Å; W48-Y88 HydrophobicContact CD2-CD2 3.34Å; W48-Y88 AromaticContact CD2-CE2 3.32Å; W48-Y88 HydrophobicContact CD2-CE2 3.32Å; W48-Y88 HydrophobicContact CD2-CG 4.14Å; W48-Y88 AromaticContact CE2-CD2 3.42Å; W48-Y88 VanDerWaalsContact CE2-CD2 3.42Å; W48-Y88 AromaticContact CE2-CE2 3.78Å; W48-Y88 HydrophobicContact CE3-CD1 4.37Å; W48-Y88 AromaticContact CE3-CD2 3.6Å; W48-Y88 HydrophobicContact CE3-CD2 3.6Å; W48-Y88 AromaticContact CE3-CE2 3.77Å; W48-Y88 HydrophobicContact CE3-CE2 3.77Å; W48-Y88 AromaticContact CE3-CG 3.91Å; W48-Y88 HydrophobicContact CE3-CG 3.91Å; W48-Y88 AromaticContact CG-CD2 3.8Å; W48-Y88 HydrophobicContact CG-CD2 3.8Å; W48-Y88 AromaticContact CG-CE2 3.25Å; W48-Y88 HydrophobicContact CG-CE2 3.25Å; W48-Y88 AromaticContact CG-CZ 3.97Å; W48-Y88 AromaticContact CH2-CD2 3.96Å; W48-Y88 HydrophobicContact CH2-CD2 3.96Å; W48-Y88 HydrophobicContact CH2-CG 4.08Å; W48-Y88 AromaticContact CZ2-CD2 3.75Å; W48-Y88 HydrophobicContact CZ2-CD2 3.75Å; W48-Y88 HydrophobicContact CZ2-CG 4.32Å; W48-Y88 HydrophobicContact CZ3-CD1 4.5Å; W48-Y88 AromaticContact CZ3-CD2 3.89Å; W48-Y88 HydrophobicContact CZ3-CD2 3.89Å; W48-Y88 AromaticContact CZ3-CG 3.88Å; W48-Y88 HydrophobicContact CZ3-CG 3.88Å; W48-Y88 AromaticContact NE1-CD2 3.87Å; W48-Y88 AromaticContact NE1-CE2 3.93Å; W48-L92 HydrophobicContact CH2-CD1 4.47Å; W48-L92 HydrophobicContact CH2-CD2 4.36Å
49S92.6Very high92.4Very high59 Ų5958.4 Ų58.441%0.41330%0.301SS..Hα-helixtrans-61.5-29.4174.4-176.40000113.1Q45 T46 R53Q45-S49 WeakPolarHBondContact O-CB 3.39Å; Q45-S49 PolarHBondContact O-N 2.77Å; T46-S49 PolarHBondContact O-N 3.09Å; S49-R53 PolarHBondContact O-NE 3.19Å; S49-R53 PolarHBondContact OG-NH2 3.27Å
50V94.1Very high92.4Very high12 Ų1255.7 Ų55.77%0.07329%0.292CS..Hα-helixtrans-86.6-48.7173.1175.90000111.3T12 I15 N16 T46 F47 W48 N52 R53T12-V50 HydrophobicContact CG2-CG2 3.8Å; I15-V50 HydrophobicContact CB-CG1 4.1Å; I15-V50 HydrophobicContact CD1-CB 4.3Å; I15-V50 HydrophobicContact CD1-CG2 4.15Å; I15-V50 HydrophobicContact CG2-CB 4.02Å; I15-V50 HydrophobicContact CG2-CG1 3.58Å; N16-V50 WeakPolarHBondContact ND2-CG1 3.2Å; T46-V50 WeakPolarHBondContact O-CG2 3.12Å; T46-V50 PolarHBondContact O-N 2.82Å; T46-V50 VanDerWaalsContact O-N 3.1Å; F47-V50 PolarHBondContact O-N 2.79Å; W48-V50 PolarHBondContact O-N 3.45Å; V50-N52 VanDerWaalsContact C-N 3.29Å; V50-N52 PolarHBondContact O-N 3.21Å; V50-R53 WeakPolarHBondContact O-CB 3.23Å; V50-R53 PolarHBondContact O-N 3.44Å
51V94.6Very high92.6Very high4 Ų450.4 Ų50.42%0.02427%0.269CS..Hα-helixtrans-56-41-177.9160.30000112.2I19 F47 W48 R53 L54 L56 F66I19-V51 HydrophobicContact CD1-CG2 3.9Å; F47-V51 HydrophobicContact CD1-CG2 4.3Å; F47-V51 HydrophobicContact CD2-CG2 4.1Å; F47-V51 HydrophobicContact CE1-CG2 3.98Å; F47-V51 HydrophobicContact CE2-CG2 3.76Å; F47-V51 HydrophobicContact CG-CG2 4.37Å; F47-V51 HydrophobicContact CZ-CG2 3.7Å; F47-V51 WeakPolarHBondContact O-CB 3.19Å; F47-V51 WeakPolarHBondContact O-CG2 3.45Å; F47-V51 PolarHBondContact O-N 2.86Å; W48-V51 HydrophobicContact CE3-CB 4.26Å; W48-V51 HydrophobicContact CE3-CG1 3.8Å; W48-V51 HydrophobicContact CZ3-CG1 3.88Å; W48-V51 PolarHBondContact O-N 3.49Å; V51-R53 PolarHBondContact O-N 3.25Å; V51-L54 WeakPolarHBondContact O-CB 3.36Å; V51-L54 PolarHBondContact O-N 3Å; V51-L56 HydrophobicContact CG1-CD1 3.85Å; V51-F66 HydrophobicContact CG1-CD2 3.76Å; V51-F66 HydrophobicContact CG1-CE2 3.71Å; V51-F66 HydrophobicContact CG2-CD2 3.9Å; V51-F66 HydrophobicContact CG2-CE2 4.22Å
52N92.7Very high92.9Very high81 Ų8148.5 Ų48.543%0.43326%0.26SS..THydrogen-bonded Turntrans-70.1-2.1-179.2-67.322.8000113.7W48 V50 Y88W48-N52 WeakPolarHBondContact O-CB 3.47Å; W48-N52 VanDerWaalsContact O-CG 3.23Å; W48-N52 PolarHBondContact O-N 2.99Å; W48-N52 PolarHBondContact O-OD1 2.97Å; W48-N52 VanDerWaalsContact O-OD1 3.13Å; V50-N52 VanDerWaalsContact C-N 3.29Å; V50-N52 PolarHBondContact O-N 3.21Å; N52-Y88 WeakPolarHBondContact ND2-CE1 3.33Å
53R93Very high93.1Very high196 Ų19641.9 Ų41.974%0.7423%0.231SC*.THydrogen-bonded Turntrans-104.3-6.7171.7-49.5-179-159.2-144.90.7112.5S49 V50 V51S49-R53 PolarHBondContact O-NE 3.19Å; S49-R53 PolarHBondContact OG-NH2 3.27Å; V50-R53 WeakPolarHBondContact O-CB 3.23Å; V50-R53 PolarHBondContact O-N 3.44Å; V51-R53 PolarHBondContact O-N 3.25Å
54L93.6Very high93.3Very high30 Ų3041.9 Ų41.916%0.15723%0.231CC..SBendtrans-87.3139177.8-59.7179.7000110.2I19 V51 L56I19-L54 HydrophobicContact CB-CD1 3.88Å; I19-L54 HydrophobicContact CD1-CD1 4.3Å; I19-L54 HydrophobicContact CG2-CD1 3.64Å; V51-L54 WeakPolarHBondContact O-CB 3.36Å; V51-L54 PolarHBondContact O-N 3Å; L54-L56 HydrophobicContact CB-CD2 3.89Å; L54-L56 HydrophobicContact CB-CG 4.23Å; L54-L56 PolarHBondContact O-N 3.43Å
55P92.6Very high93.5Very high64 Ų6442 Ų4242%0.41623%0.232SC..  trans-78.561.7-18032.3-35.6000112.1S57 S58 N59 L62P55-S57 PolarHBondContact O-N 2.92Å; P55-S58 PolarHBondContact O-N 3.42Å; P55-N59 PolarHBondContact O-N 3.1Å; P55-N59 VanDerWaalsContact O-N 3.15Å; P55-L62 HydrophobicContact CG-CD1 3.8Å
56L93.2Very high93.8Very high9 Ų936.4 Ų36.45%0.04721%0.205CC..THydrogen-bonded Turntrans-64.4-18.2-179.5-58.5-167.1000113.7I19 V51 L54 L62 C63 F66 M95 W99I19-L56 HydrophobicContact CG2-CD2 4.42Å; V51-L56 HydrophobicContact CG1-CD1 3.85Å; L54-L56 HydrophobicContact CB-CD2 3.89Å; L54-L56 HydrophobicContact CB-CG 4.23Å; L54-L56 PolarHBondContact O-N 3.43Å; L56-L62 HydrophobicContact CD2-CB 3.87Å; L56-C63 WeakPolarHBondContact O-CB 3.48Å; L56-F66 HydrophobicContact CD1-CB 3.81Å; L56-F66 HydrophobicContact CD1-CD1 3.68Å; L56-F66 HydrophobicContact CD1-CD2 3.85Å; L56-F66 HydrophobicContact CD1-CE1 4.28Å; L56-F66 HydrophobicContact CD1-CE2 4.42Å; L56-F66 HydrophobicContact CD1-CG 3.44Å; L56-F66 VanDerWaalsContact CD1-CG 3.44Å; L56-F66 HydrophobicContact CD2-CB 3.91Å; L56-F66 HydrophobicContact CD2-CG 4.47Å; L56-M95 HydrophobicContact CB-SD 4.04Å; L56-W99 WeakPolarHBondContact O-CZ2 3.36Å; L56-W99 PolarHBondContact O-NE1 3.36Å
57S88.3Confident94.2Very high70 Ų7034.7 Ų34.749%0.4920%0.195SC..THydrogen-bonded Turntrans-82.7-23.2178.251.30000114.1P55 W99P55-S57 PolarHBondContact O-N 2.92Å; S57-W99 WeakPolarHBondContact O-CZ2 3.42Å
58S88.2Confident94.3Very high93 Ų9335.2 Ų35.265%0.6520%0.197SC*.THydrogen-bonded Turntrans-115.2-10.6-177.364.90000114.3P55P55-S58 PolarHBondContact O-N 3.42Å
59N93.2Very high94.4Very high48 Ų4835.1 Ų35.126%0.25720%0.197SC..  trans-124.7109.2175.7-169.9-66.4000111.8P55 V61 L62 C63P55-N59 PolarHBondContact O-N 3.1Å; P55-N59 VanDerWaalsContact O-N 3.15Å; N59-V61 VanDerWaalsContact C-N 3.32Å; N59-V61 PolarHBondContact O-N 3.03Å; N59-V61 PolarHBondContact OD1-N 2.97Å; N59-V61 VanDerWaalsContact OD1-N 3.07Å; N59-L62 HydrophobicContact CB-CB 4.13Å; N59-L62 HydrophobicContact CB-CD1 3.92Å; N59-L62 HydrophobicContact CB-CG 4.06Å; N59-L62 PolarHBondContact O-N 3.42Å; N59-L62 PolarHBondContact OD1-N 2.84Å; N59-C63 PolarHBondContact O-N 2.59Å
60A93.6Very high94.6Very high20 Ų2032.3 Ų32.317%0.16518%0.177CC..Hα-helixtrans-67.1-28.8-176.700000113.5C63 W64 W99 Y106 C110A60-C63 PolarHBondContact O-N 3.37Å; A60-W64 WeakPolarHBondContact O-CB 3.37Å; A60-W64 PolarHBondContact O-N 2.78Å; A60-W99 HydrophobicContact CB-CE3 4.26Å; A60-W99 HydrophobicContact CB-CH2 3.63Å; A60-W99 HydrophobicContact CB-CZ2 4.2Å; A60-W99 HydrophobicContact CB-CZ3 3.65Å; A60-Y106 VanDerWaalsContact CB-CB 3.48Å; A60-C110 PolarHBondContact O-SG 3.03Å
61V94.6Very high94.8Very high21 Ų2131.7 Ų31.713%0.12717%0.174CC..Hα-helixtrans-72.5-39176.8-178.30000111N59 W64 K65 Y106N59-V61 VanDerWaalsContact C-N 3.32Å; N59-V61 PolarHBondContact O-N 3.03Å; N59-V61 PolarHBondContact OD1-N 2.97Å; N59-V61 VanDerWaalsContact OD1-N 3.07Å; V61-W64 PolarHBondContact O-N 2.78Å; V61-K65 WeakPolarHBondContact O-CG 3.43Å; V61-K65 PolarHBondContact O-N 2.76Å; V61-Y106 HydrophobicContact CG2-CD2 3.85Å; V61-Y106 HydrophobicContact CG2-CE2 3.83Å
62L95.9Very high94.9Very high10 Ų1032.9 Ų32.95%0.05218%0.179CC..Hα-helixtrans-62-46.1169.8-71.5178.6000110.8I19 N20 T21 P55 L56 N59 W64 K65 F66I19-L62 HydrophobicContact CG2-CD2 4.09Å; I19-L62 WeakPolarHBondContact CG2-O 3.5Å; I19-L62 WeakPolarHBondContact O-CD2 3.48Å; N20-L62 VanDerWaalsContact CA-CD2 3.5Å; T21-L62 HydrophobicContact CG2-CD1 3.9Å; T21-L62 HydrophobicContact CG2-CD2 4.03Å; T21-L62 HydrophobicContact CG2-CG 3.84Å; P55-L62 HydrophobicContact CG-CD1 3.8Å; L56-L62 HydrophobicContact CD2-CB 3.87Å; N59-L62 HydrophobicContact CB-CB 4.13Å; N59-L62 HydrophobicContact CB-CD1 3.92Å; N59-L62 HydrophobicContact CB-CG 4.06Å; N59-L62 PolarHBondContact O-N 3.42Å; N59-L62 PolarHBondContact OD1-N 2.84Å; L62-W64 VanDerWaalsContact C-N 3.34Å; L62-W64 PolarHBondContact O-N 2.84Å; L62-K65 PolarHBondContact O-N 3.43Å; L62-F66 VanDerWaalsContact O-CB 3.3Å; L62-F66 WeakPolarHBondContact O-CB 3.33Å; L62-F66 PolarHBondContact O-N 3.44Å
63C96.8Very high95.1Very high0 Ų029.1 Ų29.10%016%0.159CC..Hα-helixtrans-59.4-44.1177-167.90000111.9L56 N59 A60 F66 C67 W99 C110L56-C63 WeakPolarHBondContact O-CB 3.48Å; N59-C63 PolarHBondContact O-N 2.59Å; A60-C63 PolarHBondContact O-N 3.37Å; C63-F66 WeakPolarHBondContact O-CB 3.49Å; C63-F66 PolarHBondContact O-N 2.96Å; C63-C67 PolarHBondContact O-N 2.95Å; C63-C67 PolarHBondContact O-SG 3.32Å; C63-W99 HydrophobicContact CB-CZ2 4.39Å; C63-W99 PolarHBondContact SG-NE1 3.23Å; C63-W99 VanDerWaalsContact SG-NE1 3.38Å; C63-C110 HydrophobicContact CB-CB 4.41Å
64W97.2Very high95.2Very high2 Ų220.6 Ų20.61%0.00813%0.127CC..Hα-helixtrans-61.2-46.4177.8-177.5-109.1000112.6A60 V61 L62 C67 H68 Y106 L109 C110 Y113 L169 V173 C191 P195A60-W64 WeakPolarHBondContact O-CB 3.37Å; A60-W64 PolarHBondContact O-N 2.78Å; V61-W64 PolarHBondContact O-N 2.78Å; L62-W64 VanDerWaalsContact C-N 3.34Å; L62-W64 PolarHBondContact O-N 2.84Å; W64-C67 WeakPolarHBondContact O-CB 3.44Å; W64-C67 PolarHBondContact O-N 3.46Å; W64-H68 PolarHBondContact O-N 3.11Å; W64-Y106 HydrophobicContact CB-CD1 3.72Å; W64-Y106 HydrophobicContact CB-CE1 4.05Å; W64-Y106 AromaticContact CD1-CD1 3.96Å; W64-Y106 AromaticContact CD1-CE1 3.44Å; W64-Y106 VanDerWaalsContact CD1-CE1 3.44Å; W64-Y106 AromaticContact CD2-CD1 3.9Å; W64-Y106 HydrophobicContact CD2-CD1 3.9Å; W64-Y106 HydrophobicContact CD2-CE1 4.01Å; W64-Y106 HydrophobicContact CE3-CD1 4.44Å; W64-Y106 AromaticContact CG-CD1 3.56Å; W64-Y106 HydrophobicContact CG-CD1 3.56Å; W64-Y106 AromaticContact CG-CE1 3.55Å; W64-Y106 HydrophobicContact CG-CE1 3.55Å; W64-Y106 AromaticContact NE1-CE1 3.78Å; W64-L109 HydrophobicContact CE3-CB 3.82Å; W64-L109 HydrophobicContact CH2-CB 4.22Å; W64-L109 HydrophobicContact CZ3-CB 3.56Å; W64-C110 PolarHBondContact N-SG 3.32Å; W64-C110 VanDerWaalsContact N-SG 3.37Å; W64-Y113 AromaticContact CE3-CD1 3.84Å; W64-Y113 HydrophobicContact CE3-CD1 3.84Å; W64-Y113 AromaticContact CH2-CD1 3.92Å; W64-Y113 HydrophobicContact CH2-CD1 3.92Å; W64-Y113 HydrophobicContact CH2-CE1 4.45Å; W64-Y113 AromaticContact CZ3-CD1 3.49Å; W64-Y113 HydrophobicContact CZ3-CD1 3.49Å; W64-Y113 VanDerWaalsContact CZ3-CD1 3.49Å; W64-Y113 HydrophobicContact CZ3-CE1 4.38Å; W64-Y113 HydrophobicContact CZ3-CG 4.2Å; W64-L169 HydrophobicContact CH2-CD1 4.03Å; W64-L169 HydrophobicContact CZ3-CD1 4.11Å; W64-V173 HydrophobicContact CH2-CG2 3.5Å; W64-V173 HydrophobicContact CZ2-CG2 3.97Å; W64-C191 PolarHBondContact NE1-O 3.17Å; W64-P195 HydrophobicContact CH2-CG 4.43Å; W64-P195 HydrophobicContact CZ2-CB 4.23Å; W64-P195 HydrophobicContact CZ2-CG 3.59Å
65K97.1Very high95.2Very high3 Ų319.9 Ų19.91%0.01312%0.123CC..Hα-helixtrans-70.4-34.9177.3-70.9-175.1177.6-166.90113I19 N20 Q22 V24 V26 V61 L62 C67 H68 V69I19-K65 HydrophobicContact CG2-CB 4.33Å; N20-K65 WeakPolarHBondContact O-CD 3.38Å; N20-K65 PolarHBondContact OD1-NZ 3.25Å; Q22-K65 WeakPolarHBondContact O-CE 3.49Å; Q22-K65 PolarHBondContact O-NZ 3.26Å; V24-K65 WeakPolarHBondContact O-CE 3.49Å; V24-K65 PolarHBondContact O-NZ 2.69Å; V26-K65 HydrophobicContact CG2-CB 4.24Å; V26-K65 HydrophobicContact CG2-CD 4.18Å; V26-K65 HydrophobicContact CG2-CG 3.99Å; V61-K65 WeakPolarHBondContact O-CG 3.43Å; V61-K65 PolarHBondContact O-N 2.76Å; L62-K65 PolarHBondContact O-N 3.43Å; K65-C67 VanDerWaalsContact C-N 3.35Å; K65-H68 PolarHBondContact O-N 3Å; K65-V69 WeakPolarHBondContact O-CG2 3.27Å; K65-V69 PolarHBondContact O-N 3.04Å
66F97.7Very high95.3Very high0 Ų019.7 Ų19.70%012%0.118CC..Hα-helixtrans-57-50.6169157.8-99.6000110I19 F47 W48 V51 L56 L62 C63 H68 V69 F70 L92 L114I19-F66 HydrophobicContact CD1-CB 4.2Å; I19-F66 HydrophobicContact CD1-CD2 4.35Å; I19-F66 HydrophobicContact CG2-CB 4.09Å; F47-F66 HydrophobicContact CE1-CD2 4.43Å; F47-F66 AromaticContact CE1-CE2 3.88Å; F47-F66 HydrophobicContact CE1-CE2 3.88Å; F47-F66 AromaticContact CZ-CD2 3.92Å; F47-F66 HydrophobicContact CZ-CD2 3.92Å; F47-F66 AromaticContact CZ-CE2 3.8Å; F47-F66 HydrophobicContact CZ-CE2 3.8Å; W48-F66 AromaticContact CH2-CE2 3.95Å; W48-F66 HydrophobicContact CH2-CE2 3.95Å; W48-F66 AromaticContact CH2-CZ 3.7Å; W48-F66 HydrophobicContact CH2-CZ 3.7Å; W48-F66 AromaticContact CZ3-CE2 3.97Å; W48-F66 HydrophobicContact CZ3-CE2 3.97Å; W48-F66 AromaticContact CZ3-CZ 3.99Å; W48-F66 HydrophobicContact CZ3-CZ 3.99Å; V51-F66 HydrophobicContact CG1-CD2 3.76Å; V51-F66 HydrophobicContact CG1-CE2 3.71Å; V51-F66 HydrophobicContact CG2-CD2 3.9Å; V51-F66 HydrophobicContact CG2-CE2 4.22Å; L56-F66 HydrophobicContact CD1-CB 3.81Å; L56-F66 HydrophobicContact CD1-CD1 3.68Å; L56-F66 HydrophobicContact CD1-CD2 3.85Å; L56-F66 HydrophobicContact CD1-CE1 4.28Å; L56-F66 HydrophobicContact CD1-CE2 4.42Å; L56-F66 HydrophobicContact CD1-CG 3.44Å; L56-F66 VanDerWaalsContact CD1-CG 3.44Å; L56-F66 HydrophobicContact CD2-CB 3.91Å; L56-F66 HydrophobicContact CD2-CG 4.47Å; L62-F66 VanDerWaalsContact O-CB 3.3Å; L62-F66 WeakPolarHBondContact O-CB 3.33Å; L62-F66 PolarHBondContact O-N 3.44Å; C63-F66 WeakPolarHBondContact O-CB 3.49Å; C63-F66 PolarHBondContact O-N 2.96Å; F66-H68 VanDerWaalsContact C-N 3.29Å; F66-H68 PolarHBondContact O-N 3.29Å; F66-V69 PolarHBondContact O-N 3.34Å; F66-F70 HydrophobicContact CD2-CB 4.42Å; F66-F70 HydrophobicContact CE2-CB 3.95Å; F66-F70 HydrophobicContact CE2-CD1 4.44Å; F66-F70 HydrophobicContact CE2-CG 4.19Å; F66-F70 HydrophobicContact CZ-CB 4.09Å; F66-F70 AromaticContact CZ-CD1 3.87Å; F66-F70 HydrophobicContact CZ-CD1 3.87Å; F66-F70 HydrophobicContact CZ-CG 4.07Å; F66-F70 WeakPolarHBondContact O-CB 3.48Å; F66-F70 PolarHBondContact O-N 3.16Å; F66-L92 HydrophobicContact CE1-CD2 3.71Å; F66-L92 HydrophobicContact CZ-CD2 3.8Å; F66-L114 HydrophobicContact CE1-CD2 4.09Å
67C98Very high95.3Very high0 Ų020 Ų200%012%0.123CC..Hα-helixtrans-58.1-41.6178.2-65.20000111.7C63 W64 K65 H71 Y113 L114 L117C63-C67 PolarHBondContact O-N 2.95Å; C63-C67 PolarHBondContact O-SG 3.32Å; W64-C67 WeakPolarHBondContact O-CB 3.44Å; W64-C67 PolarHBondContact O-N 3.46Å; K65-C67 VanDerWaalsContact C-N 3.35Å; C67-H71 WeakPolarHBondContact O-CB 3.4Å; C67-H71 PolarHBondContact O-N 3.03Å; C67-Y113 HydrophobicContact CB-CD1 3.27Å; C67-Y113 HydrophobicContact CB-CD2 4.13Å; C67-Y113 HydrophobicContact CB-CE1 3.6Å; C67-Y113 HydrophobicContact CB-CE2 4.4Å; C67-Y113 HydrophobicContact CB-CG 3.58Å; C67-Y113 PolarHBondContact O-OH 3.1Å; C67-L114 VanDerWaalsContact SG-CD2 3.58Å; C67-L117 HydrophobicContact CB-CD1 3.59Å
68H97.8Very high95.6Very high13 Ų1318.5 Ų18.56%0.0611%0.108CC..Hα-helixtrans-64.9-49.4177.4-175.322.7000113.8W64 K65 F66 F70 H71 K72 Y113 P195W64-H68 PolarHBondContact O-N 3.11Å; K65-H68 PolarHBondContact O-N 3Å; F66-H68 VanDerWaalsContact C-N 3.29Å; F66-H68 PolarHBondContact O-N 3.29Å; H68-F70 VanDerWaalsContact C-N 3.34Å; H68-H71 PolarHBondContact O-N 3.45Å; H68-K72 PolarHBondContact O-N 3.14Å; H68-K72 VanDerWaalsContact O-N 3.13Å; H68-Y113 WeakPolarHBondContact CA-OH 3.34Å; H68-Y113 HydrophobicContact CB-CE1 4.35Å; H68-P195 HydrophobicContact CB-CB 4.29Å; H68-P195 HydrophobicContact CB-CG 3.86Å
69V97.6Very high95.7Very high2 Ų218.8 Ų18.81%0.01211%0.108CC..Hα-helixtrans-65.1-42.3178.7175.60000110A18 I19 V26 C34 F47 K65 F66 H71 K72 L73A18-V69 HydrophobicContact CB-CG2 3.86Å; I19-V69 HydrophobicContact CD1-CB 4.41Å; I19-V69 HydrophobicContact CG1-CB 4.29Å; I19-V69 HydrophobicContact CG1-CG2 4.01Å; V26-V69 HydrophobicContact CG1-CG2 4.04Å; V26-V69 HydrophobicContact CG2-CG2 4.39Å; C34-V69 HydrophobicContact CB-CG1 4.39Å; F47-V69 HydrophobicContact CE2-CG1 3.8Å; F47-V69 HydrophobicContact CZ-CG1 4.48Å; K65-V69 WeakPolarHBondContact O-CG2 3.27Å; K65-V69 PolarHBondContact O-N 3.04Å; F66-V69 PolarHBondContact O-N 3.34Å; V69-H71 VanDerWaalsContact C-N 3.33Å; V69-H71 PolarHBondContact O-N 3.23Å; V69-K72 PolarHBondContact O-N 2.78Å; V69-L73 HydrophobicContact CG1-CG 4.49Å; V69-L73 WeakPolarHBondContact O-CG 3.43Å; V69-L73 PolarHBondContact O-N 3.08Å
70F97.7Very high95.7Very high0 Ų018.9 Ų18.90%011%0.109CC..Hα-helixtrans-65.1-35177.3-173.4-134.1000112.1F47 W48 F66 H68 L73 L74 V81 S85 L92 L117 M121F47-F70 HydrophobicContact CE1-CB 4.22Å; F47-F70 AromaticContact CE1-CD2 3.69Å; F47-F70 HydrophobicContact CE1-CD2 3.69Å; F47-F70 HydrophobicContact CE1-CE2 4.49Å; F47-F70 HydrophobicContact CE1-CG 4.2Å; F47-F70 HydrophobicContact CZ-CB 3.96Å; F47-F70 HydrophobicContact CZ-CD2 4.23Å; F47-F70 HydrophobicContact CZ-CG 4.44Å; W48-F70 HydrophobicContact CH2-CE1 4.47Å; W48-F70 HydrophobicContact CH2-CZ 4.45Å; W48-F70 HydrophobicContact CZ2-CD2 4.22Å; W48-F70 HydrophobicContact CZ2-CE1 4.18Å; W48-F70 AromaticContact CZ2-CE2 3.74Å; W48-F70 HydrophobicContact CZ2-CE2 3.74Å; W48-F70 AromaticContact CZ2-CZ 3.73Å; W48-F70 HydrophobicContact CZ2-CZ 3.73Å; F66-F70 HydrophobicContact CD2-CB 4.42Å; F66-F70 HydrophobicContact CE2-CB 3.95Å; F66-F70 HydrophobicContact CE2-CD1 4.44Å; F66-F70 HydrophobicContact CE2-CG 4.19Å; F66-F70 HydrophobicContact CZ-CB 4.09Å; F66-F70 AromaticContact CZ-CD1 3.87Å; F66-F70 HydrophobicContact CZ-CD1 3.87Å; F66-F70 HydrophobicContact CZ-CG 4.07Å; F66-F70 WeakPolarHBondContact O-CB 3.48Å; F66-F70 PolarHBondContact O-N 3.16Å; H68-F70 VanDerWaalsContact C-N 3.34Å; F70-L73 PolarHBondContact O-N 3.28Å; F70-L74 HydrophobicContact CD1-CD1 4.22Å; F70-L74 HydrophobicContact CD2-CG 4.25Å; F70-L74 HydrophobicContact CE1-CD1 3.76Å; F70-L74 HydrophobicContact CE1-CG 4.27Å; F70-L74 HydrophobicContact CE2-CD1 4.2Å; F70-L74 HydrophobicContact CE2-CD2 3.94Å; F70-L74 HydrophobicContact CE2-CG 3.78Å; F70-L74 HydrophobicContact CZ-CD1 3.73Å; F70-L74 HydrophobicContact CZ-CD2 3.85Å; F70-L74 HydrophobicContact CZ-CG 3.79Å; F70-L74 WeakPolarHBondContact O-CG 3.32Å; F70-L74 PolarHBondContact O-N 3.07Å; F70-V81 HydrophobicContact CE2-CG1 4.49Å; F70-S85 VanDerWaalsContact CE2-OG 3.3Å; F70-S85 WeakPolarHBondContact CE2-OG 3.41Å; F70-L92 HydrophobicContact CE1-CD1 4.1Å; F70-L117 HydrophobicContact CD1-CD1 4.21Å; F70-L117 HydrophobicContact CD1-CD2 4.04Å; F70-M121 HydrophobicContact CE1-SD 3.74Å; F70-M121 HydrophobicContact CZ-SD 3.67Å
71H97.5Very high95.7Very high0 Ų018 Ų180%010%0.101CC..Hα-helixtrans-61.6-47.4171.4-158.4175.4000111.2C67 H68 V69 L73 L74 R75 Y113 L117 K120 E166 D202C67-H71 WeakPolarHBondContact O-CB 3.4Å; C67-H71 PolarHBondContact O-N 3.03Å; H68-H71 PolarHBondContact O-N 3.45Å; V69-H71 VanDerWaalsContact C-N 3.33Å; V69-H71 PolarHBondContact O-N 3.23Å; H71-L73 VanDerWaalsContact C-N 3.28Å; H71-L73 PolarHBondContact O-N 3.48Å; H71-L74 PolarHBondContact O-N 3.25Å; H71-R75 WeakPolarHBondContact O-CB 3.32Å; H71-R75 PolarHBondContact O-N 3.3Å; H71-Y113 HydrophobicContact CB-CE2 4.06Å; H71-Y113 WeakPolarHBondContact CB-OH 3.39Å; H71-Y113 AromaticContact ND1-CE2 3.69Å; H71-Y113 AromaticContact ND1-CZ 3.98Å; H71-Y113 PolarHBondContact ND1-OH 2.94Å; H71-L117 HydrophobicContact CB-CD2 3.86Å; H71-K120 VanDerWaalsContact NE2-CD 3.29Å; H71-K120 WeakPolarHBondContact NE2-CD 3.31Å; H71-E166 IonicContact CE1-OE1 3.44Å; H71-E166 PolarHBondContact CE1-OE1 3.07Å; H71-E166 IonicContact NE2-OE1 2.72Å; H71-D202 IonicContact CE1-OD2 3.13Å; H71-D202 IonicContact NE2-OD2 3.72Å; H71-D202 PolarHBondContact NE2-OD2 3.42Å
72K96.3Very high95.5Very high28 Ų2818.7 Ų18.712%0.12210%0.104CC..Hα-helixtrans-58.7-36.9174.2-82.4-160.8173.4-142.50112.6E28 A31 I35 H68 V69 R75 D76 Q198E28-K72 IonicContact OE1-NZ 3.38Å; E28-K72 PolarHBondContact OE1-NZ 3.13Å; A31-K72 HydrophobicContact CB-CD 3.97Å; I35-K72 HydrophobicContact CD1-CB 4.35Å; H68-K72 PolarHBondContact O-N 3.14Å; H68-K72 VanDerWaalsContact O-N 3.13Å; V69-K72 PolarHBondContact O-N 2.78Å; K72-R75 PolarHBondContact O-N 3.33Å; K72-D76 PolarHBondContact O-N 3.3Å; K72-Q198 HydrophobicContact CG-CG 4.19Å
73L96.2Very high95.2Very high3 Ų325 Ų252%0.01613%0.131CC..Hα-helixtrans-71.4-36.7175.8-65.4-173.3000113.4C34 I35 T38 F47 V69 F70 H71 R75 G77 V81C34-L73 HydrophobicContact CB-CD2 4.14Å; I35-L73 HydrophobicContact CB-CD2 4.34Å; I35-L73 HydrophobicContact CG1-CD2 3.82Å; T38-L73 HydrophobicContact CG2-CD1 4.15Å; T38-L73 HydrophobicContact CG2-CD2 3.82Å; T38-L73 HydrophobicContact CG2-CG 4.48Å; F47-L73 HydrophobicContact CB-CD1 4.11Å; F47-L73 HydrophobicContact CD1-CD1 3.83Å; F47-L73 HydrophobicContact CD2-CD1 3.38Å; F47-L73 HydrophobicContact CE1-CD1 4.04Å; F47-L73 HydrophobicContact CE2-CD1 3.61Å; F47-L73 HydrophobicContact CG-CD1 3.49Å; F47-L73 VanDerWaalsContact CG-CD1 3.49Å; F47-L73 HydrophobicContact CZ-CD1 3.93Å; V69-L73 HydrophobicContact CG1-CG 4.49Å; V69-L73 WeakPolarHBondContact O-CG 3.43Å; V69-L73 PolarHBondContact O-N 3.08Å; F70-L73 PolarHBondContact O-N 3.28Å; H71-L73 VanDerWaalsContact C-N 3.28Å; H71-L73 PolarHBondContact O-N 3.48Å; L73-R75 PolarHBondContact O-N 3.04Å; L73-G77 VanDerWaalsContact O-CA 3.28Å; L73-G77 WeakPolarHBondContact O-CA 3.49Å; L73-G77 PolarHBondContact O-N 3.43Å; L73-G77 VanDerWaalsContact O-N 3.09Å; L73-V81 HydrophobicContact CB-CG1 4.08Å
74L95.8Very high95Very high16 Ų1626.3 Ų26.38%0.08414%0.138CC..Hα-helixtrans-68.9-23171.5-72.7175.6000112.5F70 H71 V81 L82 L117 K120 M121 G132F70-L74 HydrophobicContact CD1-CD1 4.22Å; F70-L74 HydrophobicContact CD2-CG 4.25Å; F70-L74 HydrophobicContact CE1-CD1 3.76Å; F70-L74 HydrophobicContact CE1-CG 4.27Å; F70-L74 HydrophobicContact CE2-CD1 4.2Å; F70-L74 HydrophobicContact CE2-CD2 3.94Å; F70-L74 HydrophobicContact CE2-CG 3.78Å; F70-L74 HydrophobicContact CZ-CD1 3.73Å; F70-L74 HydrophobicContact CZ-CD2 3.85Å; F70-L74 HydrophobicContact CZ-CG 3.79Å; F70-L74 WeakPolarHBondContact O-CG 3.32Å; F70-L74 PolarHBondContact O-N 3.07Å; H71-L74 PolarHBondContact O-N 3.25Å; L74-V81 HydrophobicContact CD2-CG1 4.38Å; L74-L82 HydrophobicContact CD2-CD1 4.3Å; L74-L117 HydrophobicContact CD1-CD2 3.84Å; L74-K120 HydrophobicContact CB-CD 4.31Å; L74-K120 HydrophobicContact CD1-CD 4.46Å; L74-M121 HydrophobicContact CD1-CG 3.79Å; L74-M121 HydrophobicContact CD1-SD 4.36Å; L74-M121 HydrophobicContact CD2-CG 3.95Å; L74-G132 VanDerWaalsContact O-CA 3.26Å; L74-G132 WeakPolarHBondContact O-CA 3.23Å
75R94.6Very high94.8Very high16 Ų1626.2 Ų26.26%0.0614%0.138CC..Hα-helixtrans-83.2-60.1177.3-160.3-164.4-174.384.116.5112.5H71 K72 L73 G132 N133 L201 D202H71-R75 WeakPolarHBondContact O-CB 3.32Å; H71-R75 PolarHBondContact O-N 3.3Å; K72-R75 PolarHBondContact O-N 3.33Å; L73-R75 PolarHBondContact O-N 3.04Å; R75-G132 CarbonylContact O-C 3.58Å; R75-N133 HydrophobicContact CG-CB 3.78Å; R75-N133 PolarHBondContact NH2-O 3.42Å; R75-N133 PolarHBondContact O-N 3.39Å; R75-L201 PolarHBondContact NH2-O 3.13Å; R75-D202 IonicContact CZ-OD1 2.76Å; R75-D202 VanDerWaalsContact CZ-OD1 3.26Å; R75-D202 IonicContact NH1-OD1 3.23Å; R75-D202 PolarHBondContact NH1-OD1 3.37Å; R75-D202 IonicContact NH1-OD2 2.69Å; R75-D202 IonicContact NH2-OD1 2.71Å; R75-D202 PolarHBondContact NH2-OD1 3.26Å
76D94.7Very high94.5Very high60 Ų6029 Ų2932%0.32115%0.152SC..Hα-helixtrans-115.1-5-162.8-50.8-43.8000113.1I35 H39 K72I35-D76 HydrophobicContact CD1-CB 4.11Å; I35-D76 HydrophobicContact CG1-CB 4.47Å; I35-D76 HydrophobicContact CG2-CB 4.16Å; I35-D76 WeakPolarHBondContact CG2-O 3.24Å; H39-D76 PolarHBondContact NE2-O 3.36Å; K72-D76 PolarHBondContact O-N 3.3Å
77G92.9Very high94.3Very high14 Ų1435.2 Ų35.214%0.14418%0.176CC..SBendtrans-75.4177.5178.200000113.8T38 L73T38-G77 VanDerWaalsContact OG1-CA 3.28Å; T38-G77 WeakPolarHBondContact OG1-CA 3.31Å; L73-G77 VanDerWaalsContact O-CA 3.28Å; L73-G77 WeakPolarHBondContact O-CA 3.49Å; L73-G77 PolarHBondContact O-N 3.43Å; L73-G77 VanDerWaalsContact O-N 3.09Å
78H94.8Very high94.1Very high39 Ų3936.4 Ų36.418%0.18118%0.181CC..  trans-63.1142.6179.7-174.8-100.9000111.9T38 H39 K42 N80 V81T38-H78 WeakPolarHBondContact O-CB 3.25Å; T38-H78 PolarHBondContact OG1-N 3.33Å; T38-H78 VanDerWaalsContact OG1-N 3.08Å; H39-H78 PolarHBondContact CE1-N 3.34Å; H39-H78 AromaticContact ND1-CD2 3.78Å; H39-H78 PolarHBondContact NE2-N 3.23Å; K42-H78 WeakPolarHBondContact CA-ND1 3.46Å; K42-H78 PolarHBondContact O-CE1 3.44Å; K42-H78 VanDerWaalsContact O-CE1 3.3Å; K42-H78 PolarHBondContact O-ND1 3.38Å; H78-N80 PolarHBondContact CE1-ND2 2.98Å; H78-N80 PolarHBondContact ND1-N 2.93Å; H78-N80 PolarHBondContact O-N 3.39Å; H78-V81 HydrophobicContact CB-CG2 4.4Å; H78-V81 VanDerWaalsContact O-CB 3.24Å; H78-V81 WeakPolarHBondContact O-CB 3.17Å; H78-V81 WeakPolarHBondContact O-CG2 3.44Å; H78-V81 PolarHBondContact O-N 3.11Å
79P90.2Very high93.8Very high99 Ų9940.9 Ų40.964%0.64320%0.197SC*.THydrogen-bonded Turntrans-56.8-22-174.8-3036.9000116.3V81P79-V81 VanDerWaalsContact C-N 3.32Å
80N92.1Very high93.5Very high51 Ų5145.9 Ų45.927%0.27322%0.223SC..Hα-helixtrans-75.8-13.3173.3-69.9-23.1000114.1K42 H78 L82 K83 D84K42-N80 VanDerWaalsContact O-CB 3.3Å; K42-N80 WeakPolarHBondContact O-CB 3.43Å; K42-N80 PolarHBondContact O-ND2 3.11Å; H78-N80 PolarHBondContact CE1-ND2 2.98Å; H78-N80 PolarHBondContact ND1-N 2.93Å; H78-N80 PolarHBondContact O-N 3.39Å; N80-L82 PolarHBondContact O-N 2.93Å; N80-K83 PolarHBondContact O-N 2.99Å; N80-K83 PolarHBondContact OD1-NZ 3.16Å; N80-D84 PolarHBondContact O-N 2.71Å
81V94.1Very high93.3Very high2 Ų250.5 Ų50.51%0.01225%0.245CC..Hα-helixtrans-52.4-43.4175.9169.40000110.6T38 A44 F70 L73 L74 H78 P79 S85T38-V81 HydrophobicContact CG2-CG2 3.65Å; A44-V81 HydrophobicContact CB-CB 4.32Å; A44-V81 HydrophobicContact CB-CG1 4.15Å; A44-V81 HydrophobicContact CB-CG2 4.13Å; F70-V81 HydrophobicContact CE2-CG1 4.49Å; L73-V81 HydrophobicContact CB-CG1 4.08Å; L74-V81 HydrophobicContact CD2-CG1 4.38Å; H78-V81 HydrophobicContact CB-CG2 4.4Å; H78-V81 VanDerWaalsContact O-CB 3.24Å; H78-V81 WeakPolarHBondContact O-CB 3.17Å; H78-V81 WeakPolarHBondContact O-CG2 3.44Å; H78-V81 PolarHBondContact O-N 3.11Å; P79-V81 VanDerWaalsContact C-N 3.32Å; V81-S85 WeakPolarHBondContact O-CB 3.46Å; V81-S85 PolarHBondContact O-N 3.45Å; V81-S85 PolarHBondContact O-OG 3.24Å
82L91.3Very high93.1Very high35 Ų3550.6 Ų50.618%0.18325%0.245CC..Hα-helixtrans-57.9-52174.8175.661.4000111.7L74 N80 S85 L86 M121 H124L74-L82 HydrophobicContact CD2-CD1 4.3Å; N80-L82 PolarHBondContact O-N 2.93Å; L82-S85 PolarHBondContact O-N 3.41Å; L82-S85 VanDerWaalsContact O-N 3.16Å; L82-L86 PolarHBondContact O-N 2.79Å; L82-L86 VanDerWaalsContact O-N 3.11Å; L82-M121 HydrophobicContact CD1-CB 3.85Å; L82-M121 HydrophobicContact CD1-CG 3.82Å; L82-H124 HydrophobicContact CD2-CB 3.51Å
83K89.1Confident93Very high141 Ų14151.3 Ų51.361%0.61325%0.254SS*.Hα-helixtrans-62.6-46.3-177.5-59.6177-170.1161.20112.1N80 S85 L86N80-K83 PolarHBondContact O-N 2.99Å; N80-K83 PolarHBondContact OD1-NZ 3.16Å; K83-S85 PolarHBondContact O-N 2.77Å; K83-L86 PolarHBondContact O-N 3.34Å
84D91.6Very high92.8Very high29 Ų2955 Ų5516%0.15527%0.274CS..Hα-helixtrans-61.6-32.3176.2-86.5-20000112.1G43 A44 N80 R87G43-D84 WeakPolarHBondContact CA-OD2 3.46Å; A44-D84 HydrophobicContact CB-CB 4.11Å; A44-D84 PolarHBondContact N-OD2 2.96Å; N80-D84 PolarHBondContact O-N 2.71Å; D84-R87 WeakPolarHBondContact O-CD 3.42Å; D84-R87 WeakPolarHBondContact O-CG 3.44Å; D84-R87 PolarHBondContact O-NE 3.36Å; D84-R87 PolarHBondContact O-NH1 2.87Å; D84-R87 IonicContact OD1-NH1 3.75Å
85S94.3Very high92.7Very high0 Ų055.6 Ų55.60%028%0.276CS..Hα-helixtrans-82.5-23.5-176.8-57.30000114W48 F70 V81 L82 K83 R87 Y88 M121W48-S85 PolarHBondContact NE1-OG 3.33Å; F70-S85 VanDerWaalsContact CE2-OG 3.3Å; F70-S85 WeakPolarHBondContact CE2-OG 3.41Å; V81-S85 WeakPolarHBondContact O-CB 3.46Å; V81-S85 PolarHBondContact O-N 3.45Å; V81-S85 PolarHBondContact O-OG 3.24Å; L82-S85 PolarHBondContact O-N 3.41Å; L82-S85 VanDerWaalsContact O-N 3.16Å; K83-S85 PolarHBondContact O-N 2.77Å; S85-R87 PolarHBondContact O-N 3.35Å; S85-R87 VanDerWaalsContact O-N 3.09Å; S85-Y88 PolarHBondContact O-N 2.75Å; S85-M121 WeakPolarHBondContact O-CE 3.31Å
86L91.1Very high92.7Very high61 Ų6155 Ų5532%0.31928%0.275SS..G310 helixtrans-55.6-30.4-178.7-80.9170.2000113.3L82 K83 Y88 R89 M121 T125L82-L86 PolarHBondContact O-N 2.79Å; L82-L86 VanDerWaalsContact O-N 3.11Å; K83-L86 PolarHBondContact O-N 3.34Å; L86-Y88 PolarHBondContact O-N 2.81Å; L86-R89 WeakPolarHBondContact O-CB 3.28Å; L86-R89 PolarHBondContact O-N 3.43Å; L86-R89 VanDerWaalsContact O-N 3.12Å; L86-M121 HydrophobicContact CD2-CE 4.12Å; L86-M121 HydrophobicContact CG-CE 4.38Å; L86-T125 HydrophobicContact CD1-CG2 4.24Å
87R92.1Very high92.6Very high130 Ų13059.8 Ų59.849%0.49129%0.288SS..G310 helixtrans-62.5-2317673.6-160.4-174.2-138.1-2113.8D84 S85D84-R87 WeakPolarHBondContact O-CD 3.42Å; D84-R87 WeakPolarHBondContact O-CG 3.44Å; D84-R87 PolarHBondContact O-NE 3.36Å; D84-R87 PolarHBondContact O-NH1 2.87Å; D84-R87 IonicContact OD1-NH1 3.75Å; S85-R87 PolarHBondContact O-N 3.35Å; S85-R87 VanDerWaalsContact O-N 3.09Å
88Y93.5Very high92.5Very high26 Ų2662.9 Ų62.910%0.10230%0.3CS..G310 helixtrans-95.42.8177.9-54.5-69.2000113.7W48 N52 S85 L86 N90 E91 L92W48-Y88 HydrophobicContact CB-CE2 3.65Å; W48-Y88 AromaticContact CD1-CE2 3.64Å; W48-Y88 AromaticContact CD2-CD2 3.34Å; W48-Y88 HydrophobicContact CD2-CD2 3.34Å; W48-Y88 AromaticContact CD2-CE2 3.32Å; W48-Y88 HydrophobicContact CD2-CE2 3.32Å; W48-Y88 HydrophobicContact CD2-CG 4.14Å; W48-Y88 AromaticContact CE2-CD2 3.42Å; W48-Y88 VanDerWaalsContact CE2-CD2 3.42Å; W48-Y88 AromaticContact CE2-CE2 3.78Å; W48-Y88 HydrophobicContact CE3-CD1 4.37Å; W48-Y88 AromaticContact CE3-CD2 3.6Å; W48-Y88 HydrophobicContact CE3-CD2 3.6Å; W48-Y88 AromaticContact CE3-CE2 3.77Å; W48-Y88 HydrophobicContact CE3-CE2 3.77Å; W48-Y88 AromaticContact CE3-CG 3.91Å; W48-Y88 HydrophobicContact CE3-CG 3.91Å; W48-Y88 AromaticContact CG-CD2 3.8Å; W48-Y88 HydrophobicContact CG-CD2 3.8Å; W48-Y88 AromaticContact CG-CE2 3.25Å; W48-Y88 HydrophobicContact CG-CE2 3.25Å; W48-Y88 AromaticContact CG-CZ 3.97Å; W48-Y88 AromaticContact CH2-CD2 3.96Å; W48-Y88 HydrophobicContact CH2-CD2 3.96Å; W48-Y88 HydrophobicContact CH2-CG 4.08Å; W48-Y88 AromaticContact CZ2-CD2 3.75Å; W48-Y88 HydrophobicContact CZ2-CD2 3.75Å; W48-Y88 HydrophobicContact CZ2-CG 4.32Å; W48-Y88 HydrophobicContact CZ3-CD1 4.5Å; W48-Y88 AromaticContact CZ3-CD2 3.89Å; W48-Y88 HydrophobicContact CZ3-CD2 3.89Å; W48-Y88 AromaticContact CZ3-CG 3.88Å; W48-Y88 HydrophobicContact CZ3-CG 3.88Å; W48-Y88 AromaticContact NE1-CD2 3.87Å; W48-Y88 AromaticContact NE1-CE2 3.93Å; N52-Y88 WeakPolarHBondContact ND2-CE1 3.33Å; S85-Y88 PolarHBondContact O-N 2.75Å; L86-Y88 PolarHBondContact O-N 2.81Å; Y88-N90 PolarHBondContact O-N 2.88Å; Y88-N90 VanDerWaalsContact O-N 3.12Å; Y88-E91 PolarHBondContact O-N 3.2Å; Y88-E91 VanDerWaalsContact O-N 3.09Å; Y88-L92 WeakPolarHBondContact O-CG 3.39Å; Y88-L92 PolarHBondContact O-N 3.03Å
89R92.3Very high92.5Very high106 Ų10661.8 Ų61.840%0.429%0.294SS..Hα-helixtrans-49.8-40.9-179.7176.3179.1176-97.72.1113.3L86 S93 R118 E122L86-R89 WeakPolarHBondContact O-CB 3.28Å; L86-R89 PolarHBondContact O-N 3.43Å; L86-R89 VanDerWaalsContact O-N 3.12Å; R89-S93 WeakPolarHBondContact O-CB 3.23Å; R89-S93 PolarHBondContact O-N 3.08Å; R89-S93 VanDerWaalsContact O-N 3.12Å; R89-R118 HydrophobicContact CG-CG 4.25Å; R89-E122 IonicContact CZ-OE1 2.73Å; R89-E122 IonicContact NE-OE1 2.67Å; R89-E122 PolarHBondContact NE-OE1 3.4Å; R89-E122 IonicContact NH2-OE1 3.75Å; R89-E122 PolarHBondContact NH2-OE1 2.96Å
90N92.3Very high92.2Very high107 Ų10758.6 Ų58.657%0.57228%0.279SS*.Hα-helixtrans-71.7-45.1-179-64.3-10000111.1Y88 L92 S93 D94Y88-N90 PolarHBondContact O-N 2.88Å; Y88-N90 VanDerWaalsContact O-N 3.12Å; N90-L92 VanDerWaalsContact C-N 3.34Å; N90-L92 PolarHBondContact O-N 3.46Å; N90-S93 CarbonylContact O-C 3.46Å; N90-S93 WeakPolarHBondContact O-CA 3.37Å; N90-S93 WeakPolarHBondContact O-CB 3.36Å; N90-S93 PolarHBondContact O-N 3.32Å; N90-D94 PolarHBondContact O-N 3.21Å
91E92.1Very high91.8Very high98 Ų9863.3 Ų63.346%0.45830%0.299SS..Hα-helixtrans-60-41.6176-63.8174.9-151.900111.9Y88 S93 D94 M95Y88-E91 PolarHBondContact O-N 3.2Å; Y88-E91 VanDerWaalsContact O-N 3.09Å; E91-S93 VanDerWaalsContact C-N 3.31Å; E91-S93 PolarHBondContact O-N 2.77Å; E91-D94 PolarHBondContact O-N 2.88Å; E91-M95 WeakPolarHBondContact O-CB 3.2Å; E91-M95 WeakPolarHBondContact O-CG 3.37Å; E91-M95 PolarHBondContact O-N 3.37Å
92L94Very high91.2Very high1 Ų167.6 Ų67.61%0.00532%0.321CS..Hα-helixtrans-61.4-38.7173-67.3170.5000112W48 F66 F70 Y88 N90 M95 S96 L114 M121W48-L92 HydrophobicContact CH2-CD1 4.47Å; W48-L92 HydrophobicContact CH2-CD2 4.36Å; F66-L92 HydrophobicContact CE1-CD2 3.71Å; F66-L92 HydrophobicContact CZ-CD2 3.8Å; F70-L92 HydrophobicContact CE1-CD1 4.1Å; Y88-L92 WeakPolarHBondContact O-CG 3.39Å; Y88-L92 PolarHBondContact O-N 3.03Å; N90-L92 VanDerWaalsContact C-N 3.34Å; N90-L92 PolarHBondContact O-N 3.46Å; L92-M95 HydrophobicContact CD2-CE 4.09Å; L92-S96 WeakPolarHBondContact O-CB 3.43Å; L92-S96 PolarHBondContact O-N 3.37Å; L92-L114 HydrophobicContact CD2-CD2 3.64Å; L92-M121 HydrophobicContact CD1-SD 4.01Å
93S93.3Very high89.9Confident44 Ų4470.7 Ų70.731%0.30835%0.346SS..Hα-helixtrans-71.9-37.4178-159.60000112.6R89 N90 E91 S96 R97 R118R89-S93 WeakPolarHBondContact O-CB 3.23Å; R89-S93 PolarHBondContact O-N 3.08Å; R89-S93 VanDerWaalsContact O-N 3.12Å; N90-S93 CarbonylContact O-C 3.46Å; N90-S93 WeakPolarHBondContact O-CA 3.37Å; N90-S93 WeakPolarHBondContact O-CB 3.36Å; N90-S93 PolarHBondContact O-N 3.32Å; E91-S93 VanDerWaalsContact C-N 3.31Å; E91-S93 PolarHBondContact O-N 2.77Å; S93-S96 WeakPolarHBondContact O-CB 3.5Å; S93-S96 PolarHBondContact O-N 3.44Å; S93-R97 PolarHBondContact O-N 2.99Å; S93-R118 PolarHBondContact OG-NH1 3.02Å
94D93.1Very high88.9Confident80 Ų8071.9 Ų71.943%0.42835%0.354SS..Hα-helixtrans-71.4-39.5174.9-82.3-40.9000112.3N90 E91 S96 R97 M98N90-D94 PolarHBondContact O-N 3.21Å; E91-D94 PolarHBondContact O-N 2.88Å; D94-S96 VanDerWaalsContact C-N 3.33Å; D94-S96 PolarHBondContact O-N 3.13Å; D94-R97 PolarHBondContact O-N 3.35Å; D94-R97 IonicContact OD1-CZ 2.75Å; D94-R97 IonicContact OD1-NE 3.6Å; D94-R97 PolarHBondContact OD1-NE 3.05Å; D94-R97 IonicContact OD1-NH2 3.75Å; D94-R97 PolarHBondContact OD1-NH2 3.18Å; D94-M98 WeakPolarHBondContact O-CB 3.4Å; D94-M98 PolarHBondContact O-N 2.61Å
95M93.8Very high88.4Confident28 Ų2872.9 Ų72.914%0.13837%0.371CS..Hα-helixtrans-61.9-40.2169.5-73.9-169.7-72.100111.8L56 E91 L92 R97 M98 W99 L114L56-M95 HydrophobicContact CB-SD 4.04Å; E91-M95 WeakPolarHBondContact O-CB 3.2Å; E91-M95 WeakPolarHBondContact O-CG 3.37Å; E91-M95 PolarHBondContact O-N 3.37Å; L92-M95 HydrophobicContact CD2-CE 4.09Å; M95-R97 VanDerWaalsContact C-N 3.34Å; M95-R97 PolarHBondContact O-N 3.01Å; M95-M98 HydrophobicContact CB-CE 4.48Å; M95-M98 HydrophobicContact CG-CE 4.08Å; M95-M98 PolarHBondContact O-N 3.4Å; M95-W99 WeakPolarHBondContact O-CB 3.48Å; M95-W99 PolarHBondContact O-N 3.27Å; M95-L114 HydrophobicContact CB-CD1 3.65Å
96S93.7Very high88.2Confident3 Ų373.7 Ų73.72%0.02137%0.374CS..Hα-helixtrans-61-42.8175.3178.80000112.3L92 S93 D94 G100 S111 K115L92-S96 WeakPolarHBondContact O-CB 3.43Å; L92-S96 PolarHBondContact O-N 3.37Å; S93-S96 WeakPolarHBondContact O-CB 3.5Å; S93-S96 PolarHBondContact O-N 3.44Å; D94-S96 VanDerWaalsContact C-N 3.33Å; D94-S96 PolarHBondContact O-N 3.13Å; S96-G100 PolarHBondContact O-N 2.97Å; S96-S111 WeakPolarHBondContact O-CB 3.37Å; S96-S111 PolarHBondContact O-OG 3.14Å; S96-S111 PolarHBondContact OG-O 2.89Å; S96-K115 WeakPolarHBondContact OG-CE 3.44Å; S96-K115 WeakPolarHBondContact OG-CG 3.31Å
97R92.6Very high88.2Confident161 Ų16170.9 Ų70.961%0.60836%0.36SS*.Hα-helixtrans-64.8-49.7176.2175.7164.961.5151.9-3.2111.6S93 D94 M95 G100 H101S93-R97 PolarHBondContact O-N 2.99Å; D94-R97 PolarHBondContact O-N 3.35Å; D94-R97 IonicContact OD1-CZ 2.75Å; D94-R97 IonicContact OD1-NE 3.6Å; D94-R97 PolarHBondContact OD1-NE 3.05Å; D94-R97 IonicContact OD1-NH2 3.75Å; D94-R97 PolarHBondContact OD1-NH2 3.18Å; M95-R97 VanDerWaalsContact C-N 3.34Å; M95-R97 PolarHBondContact O-N 3.01Å; R97-G100 PolarHBondContact O-N 3.07Å; R97-G100 VanDerWaalsContact O-N 3.15Å; R97-H101 PolarHBondContact O-CD2 3.49Å
98M92.4Very high88.1Confident79 Ų7967.9 Ų67.939%0.38935%0.352SS..Hα-helixtrans-57.1-52.7177.9176.5174.958.800112.1D94 M95 G100 H101D94-M98 WeakPolarHBondContact O-CB 3.4Å; D94-M98 PolarHBondContact O-N 2.61Å; M95-M98 HydrophobicContact CB-CE 4.48Å; M95-M98 HydrophobicContact CG-CE 4.08Å; M95-M98 PolarHBondContact O-N 3.4Å; M98-G100 PolarHBondContact O-N 3.41Å; M98-H101 PolarHBondContact O-N 2.91Å
99W92.9Very high88.2Confident17 Ų1766.8 Ų66.86%0.06435%0.348CS..Hα-helixtrans-65.4-26177.8-74.8121.1000112.8L56 S57 A60 C63 M95 H101 L102 G107 C110L56-W99 WeakPolarHBondContact O-CZ2 3.36Å; L56-W99 PolarHBondContact O-NE1 3.36Å; S57-W99 WeakPolarHBondContact O-CZ2 3.42Å; A60-W99 HydrophobicContact CB-CE3 4.26Å; A60-W99 HydrophobicContact CB-CH2 3.63Å; A60-W99 HydrophobicContact CB-CZ2 4.2Å; A60-W99 HydrophobicContact CB-CZ3 3.65Å; C63-W99 HydrophobicContact CB-CZ2 4.39Å; C63-W99 PolarHBondContact SG-NE1 3.23Å; C63-W99 VanDerWaalsContact SG-NE1 3.38Å; M95-W99 WeakPolarHBondContact O-CB 3.48Å; M95-W99 PolarHBondContact O-N 3.27Å; W99-H101 PolarHBondContact O-N 3.49Å; W99-L102 HydrophobicContact CE3-CD1 3.68Å; W99-L102 HydrophobicContact CZ3-CD1 3.6Å; W99-L102 PolarHBondContact O-N 3.48Å; W99-L102 VanDerWaalsContact O-N 3.11Å; W99-G107 CarbonylContact O-C 3.6Å; W99-C110 HydrophobicContact CB-CB 4.24Å; W99-C110 HydrophobicContact CD2-CB 4.48Å; W99-C110 HydrophobicContact CG-CB 4.03Å
100G84.5Confident88.4Confident31 Ų3161.7 Ų61.732%0.3233%0.329SS..THydrogen-bonded Turntrans-71.7-6.7176.500000115.3S96 R97 M98 S111S96-G100 PolarHBondContact O-N 2.97Å; R97-G100 PolarHBondContact O-N 3.07Å; R97-G100 VanDerWaalsContact O-N 3.15Å; M98-G100 PolarHBondContact O-N 3.41Å; G100-S111 VanDerWaalsContact CA-OG 3.26Å; G100-S111 WeakPolarHBondContact CA-OG 3.5Å; G100-S111 PolarHBondContact N-OG 3.34Å
101H84.6Confident88.5Confident151 Ų15156.6 Ų56.670%0.69930%0.301SS*.THydrogen-bonded Turntrans-86.5-6.2168.8-66.9-68.8000113.2R97 M98 W99R97-H101 PolarHBondContact O-CD2 3.49Å; M98-H101 PolarHBondContact O-N 2.91Å; W99-H101 PolarHBondContact O-N 3.49Å
102L79.9Confident88.7Confident91 Ų9153.1 Ų53.148%0.47629%0.285SS..  trans-110.396.2-177.5-67.8171000110.3W99 E104 G107 Q108W99-L102 HydrophobicContact CE3-CD1 3.68Å; W99-L102 HydrophobicContact CZ3-CD1 3.6Å; W99-L102 PolarHBondContact O-N 3.48Å; W99-L102 VanDerWaalsContact O-N 3.11Å; L102-E104 PolarHBondContact O-N 2.94Å; L102-G107 CarbonylContact O-C 3.59Å; L102-Q108 PolarHBondContact O-N 3.1Å
103S64.9Low88.9Confident101 Ų10153 Ų5371%0.70629%0.285SS*.  trans-70.2-6-174.851.60000115.5
104E67.5Low89Confident165 Ų16551 Ų5177%0.77127%0.271SS*.SBendtrans-123.5150.9-172.5-67.4-177.8-166.500112.9L102 G107L102-E104 PolarHBondContact O-N 2.94Å; E104-G107 PolarHBondContact O-N 3.3Å
105G80.8Confident89.2Confident51 Ų5151 Ų5153%0.52627%0.267SS..THydrogen-bonded Turntrans60.7-140.8179.300000113.5G107G105-G107 PolarHBondContact O-N 3.14Å
106Y90.3Very high89.4Confident16 Ų1649.8 Ų49.86%0.06326%0.261CS..Hα-helixtrans-72.1-9.1-178.5-76.9-83.9000114.6E23 A60 V61 W64 L109 C110 R192E23-Y106 VanDerWaalsContact CD-OH 3.32Å; E23-Y106 HydrophobicContact CG-CE2 4.05Å; E23-Y106 VanDerWaalsContact CG-OH 3.23Å; E23-Y106 WeakPolarHBondContact CG-OH 3.5Å; E23-Y106 WeakPolarHBondContact OE1-CE2 3.41Å; E23-Y106 VanDerWaalsContact OE1-CZ 3.3Å; E23-Y106 PolarHBondContact OE1-OH 3.27Å; A60-Y106 VanDerWaalsContact CB-CB 3.48Å; V61-Y106 HydrophobicContact CG2-CD2 3.85Å; V61-Y106 HydrophobicContact CG2-CE2 3.83Å; W64-Y106 HydrophobicContact CB-CD1 3.72Å; W64-Y106 HydrophobicContact CB-CE1 4.05Å; W64-Y106 AromaticContact CD1-CD1 3.96Å; W64-Y106 AromaticContact CD1-CE1 3.44Å; W64-Y106 VanDerWaalsContact CD1-CE1 3.44Å; W64-Y106 AromaticContact CD2-CD1 3.9Å; W64-Y106 HydrophobicContact CD2-CD1 3.9Å; W64-Y106 HydrophobicContact CD2-CE1 4.01Å; W64-Y106 HydrophobicContact CE3-CD1 4.44Å; W64-Y106 AromaticContact CG-CD1 3.56Å; W64-Y106 HydrophobicContact CG-CD1 3.56Å; W64-Y106 AromaticContact CG-CE1 3.55Å; W64-Y106 HydrophobicContact CG-CE1 3.55Å; W64-Y106 AromaticContact NE1-CE1 3.78Å; Y106-L109 HydrophobicContact CD1-CD1 3.95Å; Y106-L109 HydrophobicContact CE1-CD1 4.37Å; Y106-L109 PolarHBondContact O-N 3.22Å; Y106-C110 WeakPolarHBondContact O-CB 3.38Å; Y106-C110 PolarHBondContact O-N 3.48Å; Y106-C110 PolarHBondContact O-SG 3.04Å; Y106-R192 HydrophobicContact CE1-CG 3.71Å; Y106-R192 WeakPolarHBondContact OH-CG 3.26Å; Y106-R192 PolarHBondContact OH-NE 3.17Å
107G91.4Very high89.5Confident2 Ų249.6 Ų49.62%0.02126%0.26CS..Hα-helixtrans-60.3-61.3-177.100000112.3W99 L102 E104 G105 L109 C110 S111W99-G107 CarbonylContact O-C 3.6Å; L102-G107 CarbonylContact O-C 3.59Å; E104-G107 PolarHBondContact O-N 3.3Å; G105-G107 PolarHBondContact O-N 3.14Å; G107-L109 VanDerWaalsContact C-N 3.26Å; G107-L109 PolarHBondContact O-N 2.92Å; G107-C110 PolarHBondContact O-N 3.29Å; G107-S111 PolarHBondContact O-N 2.86Å
108Q91Very high89.7Confident68 Ų6844.3 Ų44.332%0.31824%0.24SC..Hα-helixtrans-57.3-38.4176.5-174.766.2-4.300112.9L102 S111 I112 T172L102-Q108 PolarHBondContact O-N 3.1Å; Q108-S111 PolarHBondContact O-N 3.44Å; Q108-I112 HydrophobicContact CG-CD1 4.37Å; Q108-I112 PolarHBondContact O-N 2.88Å; Q108-I112 VanDerWaalsContact O-N 3.14Å; Q108-T172 HydrophobicContact CG-CG2 3.98Å
109L94.4Very high89.8Confident2 Ų241.7 Ų41.71%0.0123%0.228CC..Hα-helixtrans-60.2-50.3175.9-63.9-178.3000111.7W64 Y106 G107 S111 I112 Y113 T172 V173W64-L109 HydrophobicContact CE3-CB 3.82Å; W64-L109 HydrophobicContact CH2-CB 4.22Å; W64-L109 HydrophobicContact CZ3-CB 3.56Å; Y106-L109 HydrophobicContact CD1-CD1 3.95Å; Y106-L109 HydrophobicContact CE1-CD1 4.37Å; Y106-L109 PolarHBondContact O-N 3.22Å; G107-L109 VanDerWaalsContact C-N 3.26Å; G107-L109 PolarHBondContact O-N 2.92Å; L109-S111 PolarHBondContact O-N 2.99Å; L109-I112 PolarHBondContact O-N 2.79Å; L109-Y113 WeakPolarHBondContact O-CB 3.41Å; L109-Y113 PolarHBondContact O-N 3.45Å; L109-T172 HydrophobicContact CD2-CG2 3.74Å; L109-V173 HydrophobicContact CD2-CG2 3.98Å
110C96.4Very high89.9Confident0 Ų040.9 Ų40.90%023%0.225CC..Hα-helixtrans-64.1-38.4176.6-69.80000112.2A60 C63 W64 W99 Y106 G107 I112 Y113 L114A60-C110 PolarHBondContact O-SG 3.03Å; C63-C110 HydrophobicContact CB-CB 4.41Å; W64-C110 PolarHBondContact N-SG 3.32Å; W64-C110 VanDerWaalsContact N-SG 3.37Å; W99-C110 HydrophobicContact CB-CB 4.24Å; W99-C110 HydrophobicContact CD2-CB 4.48Å; W99-C110 HydrophobicContact CG-CB 4.03Å; Y106-C110 WeakPolarHBondContact O-CB 3.38Å; Y106-C110 PolarHBondContact O-N 3.48Å; Y106-C110 PolarHBondContact O-SG 3.04Å; G107-C110 PolarHBondContact O-N 3.29Å; C110-I112 VanDerWaalsContact C-N 3.32Å; C110-I112 PolarHBondContact O-N 3.32Å; C110-Y113 PolarHBondContact O-N 3.45Å; C110-L114 VanDerWaalsContact O-CB 3.31Å; C110-L114 WeakPolarHBondContact O-CB 3.43Å; C110-L114 WeakPolarHBondContact O-CD1 3.31Å; C110-L114 WeakPolarHBondContact O-CG 3.39Å; C110-L114 PolarHBondContact O-N 2.98Å
111S95.4Very high90.4Very high0 Ų039.6 Ų39.60%021%0.211CC..Hα-helixtrans-57.3-45.6176-174.50000112.1S96 G100 G107 Q108 L109 K115S96-S111 WeakPolarHBondContact O-CB 3.37Å; S96-S111 PolarHBondContact O-OG 3.14Å; S96-S111 PolarHBondContact OG-O 2.89Å; G100-S111 VanDerWaalsContact CA-OG 3.26Å; G100-S111 WeakPolarHBondContact CA-OG 3.5Å; G100-S111 PolarHBondContact N-OG 3.34Å; G107-S111 PolarHBondContact O-N 2.86Å; Q108-S111 PolarHBondContact O-N 3.44Å; L109-S111 PolarHBondContact O-N 2.99Å; S111-K115 WeakPolarHBondContact O-CG 3.41Å; S111-K115 PolarHBondContact O-N 3.11Å; S111-K115 PolarHBondContact OG-NZ 3.01Å
112I95.5Very high90.8Very high24 Ų2435 Ų3512%0.12319%0.19CC..Hα-helixtrans-75.8-40.6-178-68176.5000111.2Q108 L109 C110 L114 K115 L116 L169 T172Q108-I112 HydrophobicContact CG-CD1 4.37Å; Q108-I112 PolarHBondContact O-N 2.88Å; Q108-I112 VanDerWaalsContact O-N 3.14Å; L109-I112 PolarHBondContact O-N 2.79Å; C110-I112 VanDerWaalsContact C-N 3.32Å; C110-I112 PolarHBondContact O-N 3.32Å; I112-L114 VanDerWaalsContact C-N 3.34Å; I112-L114 PolarHBondContact O-N 3Å; I112-K115 WeakPolarHBondContact O-CB 3.4Å; I112-K115 PolarHBondContact O-N 3.31Å; I112-K115 VanDerWaalsContact O-N 3.09Å; I112-L116 PolarHBondContact O-N 3.47Å; I112-L169 HydrophobicContact CG2-CB 4.17Å; I112-L169 HydrophobicContact CG2-CD1 4.19Å; I112-T172 HydrophobicContact CD1-CG2 3.91Å; I112-T172 VanDerWaalsContact CD1-OG1 3.22Å; I112-T172 WeakPolarHBondContact CD1-OG1 3.41Å
113Y97.8Very high91.6Very high0 Ų031 Ų310%017%0.168CC..Hα-helixtrans-64.5-38.4176.5-155.4171.3000111.9W64 C67 H68 H71 L109 C110 K115 L116 L117 L169 P195W64-Y113 AromaticContact CE3-CD1 3.84Å; W64-Y113 HydrophobicContact CE3-CD1 3.84Å; W64-Y113 AromaticContact CH2-CD1 3.92Å; W64-Y113 HydrophobicContact CH2-CD1 3.92Å; W64-Y113 HydrophobicContact CH2-CE1 4.45Å; W64-Y113 AromaticContact CZ3-CD1 3.49Å; W64-Y113 HydrophobicContact CZ3-CD1 3.49Å; W64-Y113 VanDerWaalsContact CZ3-CD1 3.49Å; W64-Y113 HydrophobicContact CZ3-CE1 4.38Å; W64-Y113 HydrophobicContact CZ3-CG 4.2Å; C67-Y113 HydrophobicContact CB-CD1 3.27Å; C67-Y113 HydrophobicContact CB-CD2 4.13Å; C67-Y113 HydrophobicContact CB-CE1 3.6Å; C67-Y113 HydrophobicContact CB-CE2 4.4Å; C67-Y113 HydrophobicContact CB-CG 3.58Å; C67-Y113 PolarHBondContact O-OH 3.1Å; H68-Y113 WeakPolarHBondContact CA-OH 3.34Å; H68-Y113 HydrophobicContact CB-CE1 4.35Å; H71-Y113 HydrophobicContact CB-CE2 4.06Å; H71-Y113 WeakPolarHBondContact CB-OH 3.39Å; H71-Y113 AromaticContact ND1-CE2 3.69Å; H71-Y113 AromaticContact ND1-CZ 3.98Å; H71-Y113 PolarHBondContact ND1-OH 2.94Å; L109-Y113 WeakPolarHBondContact O-CB 3.41Å; L109-Y113 PolarHBondContact O-N 3.45Å; C110-Y113 PolarHBondContact O-N 3.45Å; Y113-K115 VanDerWaalsContact C-N 3.29Å; Y113-K115 PolarHBondContact O-N 3.23Å; Y113-L116 HydrophobicContact CD2-CB 4.48Å; Y113-L116 HydrophobicContact CD2-CD2 3.98Å; Y113-L116 HydrophobicContact CE2-CD2 4.05Å; Y113-L116 WeakPolarHBondContact O-CB 3.34Å; Y113-L116 PolarHBondContact O-N 3.4Å; Y113-L117 HydrophobicContact CD2-CD1 3.83Å; Y113-L117 HydrophobicContact CD2-CG 3.88Å; Y113-L117 HydrophobicContact CE2-CD1 4.07Å; Y113-L117 HydrophobicContact CE2-CD2 4.21Å; Y113-L117 HydrophobicContact CE2-CG 3.99Å; Y113-L117 HydrophobicContact CG-CD1 4.39Å; Y113-L117 WeakPolarHBondContact O-CB 3.47Å; Y113-L117 WeakPolarHBondContact O-CG 3.4Å; Y113-L117 PolarHBondContact O-N 3.27Å; Y113-L169 HydrophobicContact CD1-CD2 4.12Å; Y113-L169 HydrophobicContact CD2-CD2 3.5Å; Y113-L169 HydrophobicContact CE1-CD2 4.4Å; Y113-L169 HydrophobicContact CE2-CD2 3.82Å; Y113-L169 HydrophobicContact CG-CD1 4.21Å; Y113-L169 HydrophobicContact CG-CD2 3.67Å; Y113-P195 HydrophobicContact CE1-CB 3.57Å; Y113-P195 HydrophobicContact CE1-CG 4.09Å
114L97.2Very high92.9Very high0 Ų026.7 Ų26.70%014%0.137CC..Hα-helixtrans-66.3-27.9173.5-70.3168.5000113.2F66 C67 L92 M95 C110 I112 R118F66-L114 HydrophobicContact CE1-CD2 4.09Å; C67-L114 VanDerWaalsContact SG-CD2 3.58Å; L92-L114 HydrophobicContact CD2-CD2 3.64Å; M95-L114 HydrophobicContact CB-CD1 3.65Å; C110-L114 VanDerWaalsContact O-CB 3.31Å; C110-L114 WeakPolarHBondContact O-CB 3.43Å; C110-L114 WeakPolarHBondContact O-CD1 3.31Å; C110-L114 WeakPolarHBondContact O-CG 3.39Å; C110-L114 PolarHBondContact O-N 2.98Å; I112-L114 VanDerWaalsContact C-N 3.34Å; I112-L114 PolarHBondContact O-N 3Å; L114-R118 PolarHBondContact O-N 2.92Å
115K96.1Very high94.1Very high82 Ų8222 Ų2236%0.35712%0.12SC..Hα-helixtrans-68.1-50.6169.9-70.1161.3-169.3157.50110.3S96 S111 I112 Y113 L117 R118 T119S96-K115 WeakPolarHBondContact OG-CE 3.44Å; S96-K115 WeakPolarHBondContact OG-CG 3.31Å; S111-K115 WeakPolarHBondContact O-CG 3.41Å; S111-K115 PolarHBondContact O-N 3.11Å; S111-K115 PolarHBondContact OG-NZ 3.01Å; I112-K115 WeakPolarHBondContact O-CB 3.4Å; I112-K115 PolarHBondContact O-N 3.31Å; I112-K115 VanDerWaalsContact O-N 3.09Å; Y113-K115 VanDerWaalsContact C-N 3.29Å; Y113-K115 PolarHBondContact O-N 3.23Å; K115-L117 PolarHBondContact O-N 2.94Å; K115-R118 WeakPolarHBondContact O-CB 3.47Å; K115-R118 PolarHBondContact O-N 3.44Å; K115-T119 PolarHBondContact O-N 3.07Å; K115-T119 PolarHBondContact O-OG1 2.9Å; K115-T119 VanDerWaalsContact O-OG1 3.14Å
116L97.4Very high94.6Very high1 Ų125.7 Ų25.71%0.00512%0.121CC..Hα-helixtrans-54.4-49.5177.6170.464.3000112I112 Y113 R118 T119 K120 Y162 C165 E166 L169I112-L116 PolarHBondContact O-N 3.47Å; Y113-L116 HydrophobicContact CD2-CB 4.48Å; Y113-L116 HydrophobicContact CD2-CD2 3.98Å; Y113-L116 HydrophobicContact CE2-CD2 4.05Å; Y113-L116 WeakPolarHBondContact O-CB 3.34Å; Y113-L116 PolarHBondContact O-N 3.4Å; L116-R118 VanDerWaalsContact C-N 3.29Å; L116-R118 PolarHBondContact O-N 3.34Å; L116-T119 CarbonylContact O-C 3.56Å; L116-T119 WeakPolarHBondContact O-CB 3.19Å; L116-T119 PolarHBondContact O-N 3.4Å; L116-T119 VanDerWaalsContact O-N 3.08Å; L116-K120 PolarHBondContact O-N 3.37Å; L116-Y162 HydrophobicContact CD1-CD2 4Å; L116-Y162 HydrophobicContact CD1-CE2 3.87Å; L116-C165 HydrophobicContact CB-CB 4.23Å; L116-C165 HydrophobicContact CD1-CB 3.57Å; L116-E166 HydrophobicContact CD1-CG 3.77Å; L116-E166 WeakPolarHBondContact CD2-OE2 3.35Å; L116-L169 HydrophobicContact CD2-CB 4.33Å; L116-L169 HydrophobicContact CD2-CD2 3.49Å; L116-L169 VanDerWaalsContact CD2-CD2 3.49Å
117L97.1Very high94.7Very high0 Ų026.3 Ų26.30%013%0.126CC..Hα-helixtrans-60.7-39-179.6-73.1162.1000111.9C67 F70 H71 L74 Y113 K115 M121C67-L117 HydrophobicContact CB-CD1 3.59Å; F70-L117 HydrophobicContact CD1-CD1 4.21Å; F70-L117 HydrophobicContact CD1-CD2 4.04Å; H71-L117 HydrophobicContact CB-CD2 3.86Å; L74-L117 HydrophobicContact CD1-CD2 3.84Å; Y113-L117 HydrophobicContact CD2-CD1 3.83Å; Y113-L117 HydrophobicContact CD2-CG 3.88Å; Y113-L117 HydrophobicContact CE2-CD1 4.07Å; Y113-L117 HydrophobicContact CE2-CD2 4.21Å; Y113-L117 HydrophobicContact CE2-CG 3.99Å; Y113-L117 HydrophobicContact CG-CD1 4.39Å; Y113-L117 WeakPolarHBondContact O-CB 3.47Å; Y113-L117 WeakPolarHBondContact O-CG 3.4Å; Y113-L117 PolarHBondContact O-N 3.27Å; K115-L117 PolarHBondContact O-N 2.94Å; L117-M121 WeakPolarHBondContact O-CB 3.38Å; L117-M121 VanDerWaalsContact O-CG 3.25Å; L117-M121 WeakPolarHBondContact O-CG 3.43Å; L117-M121 PolarHBondContact O-N 3.32Å
118R95.5Very high94.6Very high49 Ų4931.3 Ų31.319%0.18516%0.158CC..Hα-helixtrans-65.6-43.9172.6-169.1-169.464-114.4-20.9111.5R89 S93 L114 K115 L116 M121 E122R89-R118 HydrophobicContact CG-CG 4.25Å; S93-R118 PolarHBondContact OG-NH1 3.02Å; L114-R118 PolarHBondContact O-N 2.92Å; K115-R118 WeakPolarHBondContact O-CB 3.47Å; K115-R118 PolarHBondContact O-N 3.44Å; L116-R118 VanDerWaalsContact C-N 3.29Å; L116-R118 PolarHBondContact O-N 3.34Å; R118-M121 PolarHBondContact O-N 3.16Å; R118-E122 WeakPolarHBondContact CD-OE1 3.46Å; R118-E122 HydrophobicContact CG-CG 4.42Å; R118-E122 WeakPolarHBondContact CG-OE1 3.04Å; R118-E122 IonicContact NE-OE1 3.61Å; R118-E122 IonicContact NE-OE2 3.42Å; R118-E122 WeakPolarHBondContact O-CB 3.32Å; R118-E122 VanDerWaalsContact O-CG 3.32Å; R118-E122 WeakPolarHBondContact O-CG 3.22Å; R118-E122 PolarHBondContact O-N 3.1Å
119T95.4Very high94.5Very high24 Ų2433.9 Ų33.915%0.14717%0.165CC..Hα-helixtrans-60.6-45.9176.4-56.90000111.6K115 L116 M121 E122 Y123 C165K115-T119 PolarHBondContact O-N 3.07Å; K115-T119 PolarHBondContact O-OG1 2.9Å; K115-T119 VanDerWaalsContact O-OG1 3.14Å; L116-T119 CarbonylContact O-C 3.56Å; L116-T119 WeakPolarHBondContact O-CB 3.19Å; L116-T119 PolarHBondContact O-N 3.4Å; L116-T119 VanDerWaalsContact O-N 3.08Å; T119-M121 PolarHBondContact O-N 3.07Å; T119-E122 PolarHBondContact O-N 3.01Å; T119-Y123 WeakPolarHBondContact O-CB 3.4Å; T119-Y123 PolarHBondContact O-N 2.83Å; T119-C165 PolarHBondContact OG1-SG 3.35Å
120K95.4Very high94.4Very high1 Ų134.2 Ų34.20%0.00417%0.166CC..Hα-helixtrans-58.5-46.8174.3-176.9174.9-178.287.40111.2H71 L74 L116 E122 Y123 H124 G132 Y162 D202H71-K120 VanDerWaalsContact NE2-CD 3.29Å; H71-K120 WeakPolarHBondContact NE2-CD 3.31Å; L74-K120 HydrophobicContact CB-CD 4.31Å; L74-K120 HydrophobicContact CD1-CD 4.46Å; L116-K120 PolarHBondContact O-N 3.37Å; K120-E122 PolarHBondContact O-N 3.38Å; K120-Y123 PolarHBondContact O-N 2.96Å; K120-H124 PolarHBondContact O-CD2 2.99Å; K120-H124 PolarHBondContact O-N 3.08Å; K120-G132 WeakPolarHBondContact CE-O 3.34Å; K120-G132 PolarHBondContact NZ-O 3.02Å; K120-Y162 HydrophobicContact CB-CE2 3.96Å; K120-Y162 VanDerWaalsContact CD-OH 3.3Å; K120-Y162 WeakPolarHBondContact CD-OH 3.31Å; K120-Y162 HydrophobicContact CG-CE1 4.25Å; K120-Y162 HydrophobicContact CG-CE2 4.26Å; K120-Y162 WeakPolarHBondContact CG-OH 3.39Å; K120-Y162 PolarHBondContact NZ-OH 2.85Å; K120-D202 IonicContact NZ-OD1 2.75Å; K120-D202 IonicContact NZ-OD2 3.98Å; K120-D202 PolarHBondContact NZ-OD2 2.8Å
121M94.8Very high94.1Very high3 Ų336.6 Ų36.62%0.01518%0.182CC..Hα-helixtrans-61.6-42.3176.3-72.4173.462.400112.7F70 L74 L82 S85 L86 L92 L117 R118 T119 T125F70-M121 HydrophobicContact CE1-SD 3.74Å; F70-M121 HydrophobicContact CZ-SD 3.67Å; L74-M121 HydrophobicContact CD1-CG 3.79Å; L74-M121 HydrophobicContact CD1-SD 4.36Å; L74-M121 HydrophobicContact CD2-CG 3.95Å; L82-M121 HydrophobicContact CD1-CB 3.85Å; L82-M121 HydrophobicContact CD1-CG 3.82Å; S85-M121 WeakPolarHBondContact O-CE 3.31Å; L86-M121 HydrophobicContact CD2-CE 4.12Å; L86-M121 HydrophobicContact CG-CE 4.38Å; L92-M121 HydrophobicContact CD1-SD 4.01Å; L117-M121 WeakPolarHBondContact O-CB 3.38Å; L117-M121 VanDerWaalsContact O-CG 3.25Å; L117-M121 WeakPolarHBondContact O-CG 3.43Å; L117-M121 PolarHBondContact O-N 3.32Å; R118-M121 PolarHBondContact O-N 3.16Å; T119-M121 PolarHBondContact O-N 3.07Å; M121-T125 VanDerWaalsContact O-CB 3.31Å; M121-T125 WeakPolarHBondContact O-CB 3.33Å; M121-T125 PolarHBondContact O-N 3.25Å; M121-T125 PolarHBondContact O-OG1 2.82Å
122E93.6Very high93.8Very high55 Ų5537.6 Ų37.626%0.25719%0.192SC..Hα-helixtrans-66.5-42.5177.6-73.9168.8176.500111.4R89 R118 T119 K120 T125 K126R89-E122 IonicContact CZ-OE1 2.73Å; R89-E122 IonicContact NE-OE1 2.67Å; R89-E122 PolarHBondContact NE-OE1 3.4Å; R89-E122 IonicContact NH2-OE1 3.75Å; R89-E122 PolarHBondContact NH2-OE1 2.96Å; R118-E122 WeakPolarHBondContact CD-OE1 3.46Å; R118-E122 HydrophobicContact CG-CG 4.42Å; R118-E122 WeakPolarHBondContact CG-OE1 3.04Å; R118-E122 IonicContact NE-OE1 3.61Å; R118-E122 IonicContact NE-OE2 3.42Å; R118-E122 WeakPolarHBondContact O-CB 3.32Å; R118-E122 VanDerWaalsContact O-CG 3.32Å; R118-E122 WeakPolarHBondContact O-CG 3.22Å; R118-E122 PolarHBondContact O-N 3.1Å; T119-E122 PolarHBondContact O-N 3.01Å; K120-E122 PolarHBondContact O-N 3.38Å; E122-T125 PolarHBondContact O-N 2.84Å; E122-K126 WeakPolarHBondContact O-CG 3.31Å; E122-K126 PolarHBondContact O-N 2.72Å
123Y95.1Very high93.6Very high7 Ų738.2 Ų38.23%0.02720%0.195CC..Hα-helixtrans-57.1-54.9175.1178.7-92.3000112.1T119 K120 T125 K126 N127 F130 L134 L155 E158 M159 Y162T119-Y123 WeakPolarHBondContact O-CB 3.4Å; T119-Y123 PolarHBondContact O-N 2.83Å; K120-Y123 PolarHBondContact O-N 2.96Å; Y123-T125 VanDerWaalsContact C-N 3.25Å; Y123-T125 PolarHBondContact O-N 2.98Å; Y123-K126 PolarHBondContact O-N 3.33Å; Y123-N127 HydrophobicContact CE1-CB 4.43Å; Y123-N127 WeakPolarHBondContact O-CB 3.02Å; Y123-N127 PolarHBondContact O-N 3.17Å; Y123-N127 PolarHBondContact O-ND2 3.31Å; Y123-F130 HydrophobicContact CE1-CB 4.13Å; Y123-F130 HydrophobicContact CE1-CD1 4.19Å; Y123-F130 HydrophobicContact CE1-CG 4.03Å; Y123-F130 WeakPolarHBondContact OH-CD1 3.27Å; Y123-F130 WeakPolarHBondContact OH-CE1 3.33Å; Y123-F130 WeakPolarHBondContact OH-CZ 3.49Å; Y123-L134 HydrophobicContact CE1-CD2 4.09Å; Y123-L155 HydrophobicContact CE2-CD1 4.29Å; Y123-E158 HydrophobicContact CD2-CB 4.02Å; Y123-E158 HydrophobicContact CE2-CB 4.12Å; Y123-M159 HydrophobicContact CE2-CG 4.05Å; Y123-M159 VanDerWaalsContact OH-CE 3.27Å; Y123-M159 WeakPolarHBondContact OH-CE 3.4Å; Y123-Y162 AromaticContact CD1-CD1 3.89Å; Y123-Y162 HydrophobicContact CD1-CD1 3.89Å; Y123-Y162 HydrophobicContact CD1-CE1 4.07Å; Y123-Y162 HydrophobicContact CD2-CD1 4.14Å; Y123-Y162 HydrophobicContact CE1-CD1 4.41Å; Y123-Y162 AromaticContact CG-CD1 3.76Å; Y123-Y162 HydrophobicContact CG-CD1 3.76Å; Y123-Y162 HydrophobicContact CG-CE1 4.35Å
124H93.5Very high93.3Very high10 Ų1038.2 Ų38.25%0.04620%0.195CC..Hα-helixtrans-70.5-19.1179.5-67.4-75.7000113.4L82 K120 N127 P128 F130 P131L82-H124 HydrophobicContact CD2-CB 3.51Å; K120-H124 PolarHBondContact O-CD2 2.99Å; K120-H124 PolarHBondContact O-N 3.08Å; H124-N127 CarbonylContact O-C 3.57Å; H124-P128 WeakPolarHBondContact O-CA 3.43Å; H124-F130 PolarHBondContact ND1-O 2.8Å; H124-P131 PolarHBondContact CE1-O 2.68Å
125T92.3Very high92.9Very high68 Ų6843.9 Ų43.942%0.41722%0.222SC..Hα-helixtrans-75.5-37.9173.3-59.70000111.6L86 M121 E122 Y123L86-T125 HydrophobicContact CD1-CG2 4.24Å; M121-T125 VanDerWaalsContact O-CB 3.31Å; M121-T125 WeakPolarHBondContact O-CB 3.33Å; M121-T125 PolarHBondContact O-N 3.25Å; M121-T125 PolarHBondContact O-OG1 2.82Å; E122-T125 PolarHBondContact O-N 2.84Å; Y123-T125 VanDerWaalsContact C-N 3.25Å; Y123-T125 PolarHBondContact O-N 2.98Å
126K92.1Very high92.5Very high127 Ų12741.2 Ų41.255%0.55221%0.211SC*.Hα-helixtrans-73.3-39.4172.2-69.3177.7175.6-177.10112.6E122 Y123 P128 E158E122-K126 WeakPolarHBondContact O-CG 3.31Å; E122-K126 PolarHBondContact O-N 2.72Å; Y123-K126 PolarHBondContact O-N 3.33Å; K126-P128 WeakPolarHBondContact O-CD 2.89Å; K126-E158 VanDerWaalsContact CD-CD 3.48Å; K126-E158 VanDerWaalsContact CD-OE1 3.23Å; K126-E158 WeakPolarHBondContact CD-OE1 3.27Å; K126-E158 WeakPolarHBondContact CD-OE2 3.3Å; K126-E158 WeakPolarHBondContact CE-OE1 3.47Å; K126-E158 VanDerWaalsContact NZ-CD 3.28Å; K126-E158 IonicContact NZ-OE1 3.35Å; K126-E158 PolarHBondContact NZ-OE1 3.21Å; K126-E158 IonicContact NZ-OE2 2.78Å
127N91.9Very high92.1Very high29 Ų2943.9 Ų43.916%0.15523%0.229CC..  trans-114.562.6-171.2-56.8-74.7000111.2Y123 H124 R129 F130 E158Y123-N127 HydrophobicContact CE1-CB 4.43Å; Y123-N127 WeakPolarHBondContact O-CB 3.02Å; Y123-N127 PolarHBondContact O-N 3.17Å; Y123-N127 PolarHBondContact O-ND2 3.31Å; H124-N127 CarbonylContact O-C 3.57Å; N127-R129 PolarHBondContact O-N 3.14Å; N127-F130 HydrophobicContact CB-CD2 3.81Å; N127-F130 HydrophobicContact CB-CE2 4.37Å; N127-F130 PolarHBondContact O-N 3.44Å; N127-E158 PolarHBondContact ND2-OE2 3.31Å
128P88.9Confident91.6Very high107 Ų10747.9 Ų47.970%0.69525%0.251SS*.THydrogen-bonded Turntrans-68-6.4-169.930.4-38.8000114.7H124 K126 F130H124-P128 WeakPolarHBondContact O-CA 3.43Å; K126-P128 WeakPolarHBondContact O-CD 2.89Å; P128-F130 VanDerWaalsContact C-N 3.33Å
129R88.6Confident91.2Very high123 Ų12355.1 Ų55.146%0.46428%0.278SS..THydrogen-bonded Turntrans-72.3-25.9170.3-62.8175.1-177.8-124.711.5112.1N127 P131 E143 A144 E146N127-R129 PolarHBondContact O-N 3.14Å; R129-P131 WeakPolarHBondContact O-CD 3.46Å; R129-E143 PolarHBondContact NH1-O 2.74Å; R129-A144 HydrophobicContact CB-CB 4.39Å; R129-E146 IonicContact CZ-OE1 3.18Å; R129-E146 IonicContact NE-OE1 2.77Å; R129-E146 IonicContact NH2-OE1 2.7Å; R129-E146 PolarHBondContact NH2-OE1 3.38Å
130F91.7Very high90.9Very high8 Ų858.3 Ų58.34%0.03529%0.292CS..SBendtrans-81.7117.8-179.6-77-102.6000111.3Y123 H124 N127 P128 L134 M136 L141 A144 L155 M159 Y209Y123-F130 HydrophobicContact CE1-CB 4.13Å; Y123-F130 HydrophobicContact CE1-CD1 4.19Å; Y123-F130 HydrophobicContact CE1-CG 4.03Å; Y123-F130 WeakPolarHBondContact OH-CD1 3.27Å; Y123-F130 WeakPolarHBondContact OH-CE1 3.33Å; Y123-F130 WeakPolarHBondContact OH-CZ 3.49Å; H124-F130 PolarHBondContact ND1-O 2.8Å; N127-F130 HydrophobicContact CB-CD2 3.81Å; N127-F130 HydrophobicContact CB-CE2 4.37Å; N127-F130 PolarHBondContact O-N 3.44Å; P128-F130 VanDerWaalsContact C-N 3.33Å; F130-L134 HydrophobicContact CB-CD2 4.45Å; F130-L134 HydrophobicContact CD1-CD2 4.04Å; F130-M136 HydrophobicContact CD1-CE 3.6Å; F130-M136 HydrophobicContact CD1-SD 4.2Å; F130-M136 HydrophobicContact CD2-CE 4.18Å; F130-M136 HydrophobicContact CE1-CE 3.35Å; F130-M136 HydrophobicContact CE2-CE 3.98Å; F130-M136 HydrophobicContact CG-CE 4.01Å; F130-M136 HydrophobicContact CG-SD 4.26Å; F130-M136 HydrophobicContact CZ-CE 3.55Å; F130-L141 HydrophobicContact CE1-CD1 4.18Å; F130-L141 HydrophobicContact CZ-CD1 3.81Å; F130-A144 HydrophobicContact CE2-CB 3.85Å; F130-A144 HydrophobicContact CZ-CB 4.42Å; F130-L155 HydrophobicContact CE2-CD1 3.74Å; F130-L155 HydrophobicContact CE2-CD2 4.17Å; F130-L155 HydrophobicContact CZ-CD1 3.91Å; F130-L155 HydrophobicContact CZ-CD2 4.05Å; F130-L155 HydrophobicContact CZ-CG 4.47Å; F130-M159 HydrophobicContact CD1-CE 4.49Å; F130-M159 HydrophobicContact CE1-CE 3.37Å; F130-M159 HydrophobicContact CZ-CE 3.39Å; F130-Y209 HydrophobicContact CE1-CD2 4.14Å; F130-Y209 HydrophobicContact CE1-CE2 4.33Å
131P90.9Very high90.6Very high51 Ų5158.5 Ų58.533%0.33129%0.292SS..  trans-67.7155.8174.129.9-33.9000111H124 R129 N133 L134 Q135 M136H124-P131 PolarHBondContact CE1-O 2.68Å; R129-P131 WeakPolarHBondContact O-CD 3.46Å; P131-N133 WeakPolarHBondContact CG-OD1 3.22Å; P131-N133 PolarHBondContact O-N 2.73Å; P131-N133 VanDerWaalsContact O-N 3.11Å; P131-L134 WeakPolarHBondContact O-CA 3.14Å; P131-L134 PolarHBondContact O-N 3.46Å; P131-Q135 VanDerWaalsContact CG-O 3.29Å; P131-Q135 WeakPolarHBondContact CG-O 3.39Å; P131-M136 HydrophobicContact CG-CG 4.09Å
132G89.1Confident90.2Very high20 Ų2061.9 Ų61.921%0.20631%0.311CS..THydrogen-bonded Turntrans-58.9-26.1-174.900000115.2L74 R75 K120 L134L74-G132 VanDerWaalsContact O-CA 3.26Å; L74-G132 WeakPolarHBondContact O-CA 3.23Å; R75-G132 CarbonylContact O-C 3.58Å; K120-G132 WeakPolarHBondContact CE-O 3.34Å; K120-G132 PolarHBondContact NZ-O 3.02Å; G132-L134 VanDerWaalsContact C-N 3.33Å
133N90.4Very high89.9Confident37 Ų3764.7 Ų64.720%0.19832%0.324CS..THydrogen-bonded Turntrans-87.22175.372.6-7.6000114.5R75 P131 Q135R75-N133 HydrophobicContact CG-CB 3.78Å; R75-N133 PolarHBondContact NH2-O 3.42Å; R75-N133 PolarHBondContact O-N 3.39Å; P131-N133 WeakPolarHBondContact CG-OD1 3.22Å; P131-N133 PolarHBondContact O-N 2.73Å; P131-N133 VanDerWaalsContact O-N 3.11Å; N133-Q135 PolarHBondContact ND2-OE1 3.37Å; N133-Q135 PolarHBondContact O-N 2.83Å; N133-Q135 VanDerWaalsContact O-N 3.12Å; N133-Q135 PolarHBondContact OD1-N 3.46Å; N133-Q135 VanDerWaalsContact OD1-N 3.08Å
134L92.8Very high89.4Confident0 Ų065.1 Ų65.10%033%0.329CS..  trans56.913.7-176.9-61.5175000115.5Y123 F130 P131 G132 M136 Y162 D202 H205 L206 Y209Y123-L134 HydrophobicContact CE1-CD2 4.09Å; F130-L134 HydrophobicContact CB-CD2 4.45Å; F130-L134 HydrophobicContact CD1-CD2 4.04Å; P131-L134 WeakPolarHBondContact O-CA 3.14Å; P131-L134 PolarHBondContact O-N 3.46Å; G132-L134 VanDerWaalsContact C-N 3.33Å; L134-M136 PolarHBondContact O-N 3.18Å; L134-Y162 HydrophobicContact CD1-CE1 4.05Å; L134-D202 HydrophobicContact CD1-CB 4.08Å; L134-D202 WeakPolarHBondContact CD1-OD1 3.34Å; L134-H205 HydrophobicContact CB-CB 3.84Å; L134-L206 HydrophobicContact CD1-CD1 4.36Å; L134-L206 HydrophobicContact CD1-CD2 3.9Å; L134-L206 HydrophobicContact CD1-CG 3.8Å; L134-Y209 HydrophobicContact CB-CE2 4.49Å; L134-Y209 WeakPolarHBondContact O-CE2 3.35Å; L134-Y209 VanDerWaalsContact O-CZ 3.31Å; L134-Y209 PolarHBondContact O-OH 3.41Å
135Q89.2Confident88.9Confident119 Ų11964.6 Ų64.656%0.55633%0.326SS*.  trans-82.7112.3-179.5-69.2-179.2-20.100111.6P131 N133P131-Q135 VanDerWaalsContact CG-O 3.29Å; P131-Q135 WeakPolarHBondContact CG-O 3.39Å; N133-Q135 PolarHBondContact ND2-OE1 3.37Å; N133-Q135 PolarHBondContact O-N 2.83Å; N133-Q135 VanDerWaalsContact O-N 3.12Å; N133-Q135 PolarHBondContact OD1-N 3.46Å; N133-Q135 VanDerWaalsContact OD1-N 3.08Å
136M87.1Confident88.5Confident27 Ų2767 Ų6713%0.13333%0.333CS..  trans-140.7157.3175.6-61.6-159.2-48.100110.8F130 P131 L134 Q140 L141 Y209F130-M136 HydrophobicContact CD1-CE 3.6Å; F130-M136 HydrophobicContact CD1-SD 4.2Å; F130-M136 HydrophobicContact CD2-CE 4.18Å; F130-M136 HydrophobicContact CE1-CE 3.35Å; F130-M136 HydrophobicContact CE2-CE 3.98Å; F130-M136 HydrophobicContact CG-CE 4.01Å; F130-M136 HydrophobicContact CG-SD 4.26Å; F130-M136 HydrophobicContact CZ-CE 3.55Å; P131-M136 HydrophobicContact CG-CG 4.09Å; L134-M136 PolarHBondContact O-N 3.18Å; M136-Q140 HydrophobicContact CB-CB 4.15Å; M136-Q140 HydrophobicContact SD-CB 4.29Å; M136-L141 HydrophobicContact CE-CB 4.37Å; M136-L141 HydrophobicContact CE-CD1 4.31Å; M136-Y209 PolarHBondContact N-OH 2.8Å; M136-Y209 VanDerWaalsContact N-OH 3.07Å; M136-Y209 PolarHBondContact O-OH 3.46Å
137S88.8Confident87.9Confident56 Ų5665.9 Ų65.939%0.39234%0.341SS..  trans-81.9158.6167.3650000111.6R139 Q140 L141S137-R139 PolarHBondContact O-N 3.45Å; S137-Q140 WeakPolarHBondContact O-CB 3.41Å; S137-Q140 PolarHBondContact O-N 3.39Å; S137-Q140 WeakPolarHBondContact OG-CG 3.49Å; S137-Q140 PolarHBondContact OG-OE1 2.71Å; S137-L141 PolarHBondContact O-N 2.7Å
138D86.3Confident87.7Confident85 Ų8567.6 Ų67.646%0.45535%0.35SS..Hα-helixtrans-58.3-32.6-179.6-61.5-36.2000112.7Q140 L141 D142 K212D138-Q140 PolarHBondContact O-N 3.38Å; D138-L141 PolarHBondContact O-N 3.12Å; D138-D142 WeakPolarHBondContact O-CB 3.49Å; D138-D142 PolarHBondContact O-N 3.46Å; D138-K212 WeakPolarHBondContact OD1-CD 3.37Å; D138-K212 WeakPolarHBondContact OD1-CE 3.25Å; D138-K212 IonicContact OD1-NZ 2.61Å; D138-K212 PolarHBondContact OD1-NZ 2.86Å; D138-K212 IonicContact OD2-NZ 2.64Å
139R87.4Confident87.7Confident201 Ų20164.5 Ų64.576%0.75833%0.329SS*.Hα-helixtrans-61.9-42.1172.7-67.8-176.1-180175.70.5112.4S137 D142 E143S137-R139 PolarHBondContact O-N 3.45Å; R139-D142 PolarHBondContact O-N 3.25Å; R139-E143 WeakPolarHBondContact O-CB 3.28Å; R139-E143 VanDerWaalsContact O-CG 3.25Å; R139-E143 WeakPolarHBondContact O-CG 3.48Å; R139-E143 PolarHBondContact O-N 2.93Å
140Q89.3Confident87.7Confident91 Ų9164.1 Ų64.143%0.42534%0.337SS..Hα-helixtrans-71.9-31.1178.6-67.6164.9-67.700111.8M136 S137 D138 A144M136-Q140 HydrophobicContact CB-CB 4.15Å; M136-Q140 HydrophobicContact SD-CB 4.29Å; S137-Q140 WeakPolarHBondContact O-CB 3.41Å; S137-Q140 PolarHBondContact O-N 3.39Å; S137-Q140 WeakPolarHBondContact OG-CG 3.49Å; S137-Q140 PolarHBondContact OG-OE1 2.71Å; D138-Q140 PolarHBondContact O-N 3.38Å; Q140-A144 VanDerWaalsContact O-CB 3.25Å; Q140-A144 WeakPolarHBondContact O-CB 3.49Å; Q140-A144 PolarHBondContact O-N 3.28Å
141L88.8Confident87.6Confident4 Ų466.8 Ų66.82%0.02135%0.351CS..Hα-helixtrans-66.4-43.1170.8-177.566.1000111.3F130 M136 S137 D138 A144 M159 Y209 K212 L213F130-L141 HydrophobicContact CE1-CD1 4.18Å; F130-L141 HydrophobicContact CZ-CD1 3.81Å; M136-L141 HydrophobicContact CE-CB 4.37Å; M136-L141 HydrophobicContact CE-CD1 4.31Å; S137-L141 PolarHBondContact O-N 2.7Å; D138-L141 PolarHBondContact O-N 3.12Å; L141-A144 PolarHBondContact O-N 2.88Å; L141-M159 HydrophobicContact CD1-CE 4.13Å; L141-Y209 HydrophobicContact CD1-CD1 4.4Å; L141-Y209 HydrophobicContact CD1-CG 4.13Å; L141-Y209 HydrophobicContact CD2-CD1 3.69Å; L141-Y209 HydrophobicContact CD2-CE1 4.48Å; L141-Y209 HydrophobicContact CD2-CG 4.09Å; L141-K212 HydrophobicContact CD2-CB 4.15Å; L141-K212 HydrophobicContact CD2-CD 4.27Å; L141-L213 HydrophobicContact CD1-CD1 4.49Å; L141-L213 HydrophobicContact CD1-CD2 4.43Å; L141-L213 HydrophobicContact CG-CD2 4.44Å
142D86.2Confident87.6Confident75 Ų7564.7 Ų64.740%0.40134%0.337SS..Hα-helixtrans-64-44.3175-84.3-14.8000112.6D138 R139 A144 F152 K216D138-D142 WeakPolarHBondContact O-CB 3.49Å; D138-D142 PolarHBondContact O-N 3.46Å; R139-D142 PolarHBondContact O-N 3.25Å; D142-A144 VanDerWaalsContact C-N 3.26Å; D142-A144 PolarHBondContact O-N 3.49Å; D142-F152 WeakPolarHBondContact O-CZ 3.46Å; D142-K216 IonicContact OD1-NZ 2.66Å; D142-K216 PolarHBondContact OD1-NZ 2.91Å; D142-K216 IonicContact OD2-NZ 2.68Å
143E87.8Confident87.8Confident113 Ų11367 Ų6753%0.52834%0.341SS..Hα-helixtrans-61.5-32.6173.3-75.6167.8-158.700112.3R129 R139 G145 E146R129-E143 PolarHBondContact NH1-O 2.74Å; R139-E143 WeakPolarHBondContact O-CB 3.28Å; R139-E143 VanDerWaalsContact O-CG 3.25Å; R139-E143 WeakPolarHBondContact O-CG 3.48Å; R139-E143 PolarHBondContact O-N 2.93Å; E143-G145 PolarHBondContact O-N 3.08Å; E143-E146 PolarHBondContact O-N 2.73Å
144A85.4Confident87.9Confident16 Ų1669.7 Ų69.713%0.13235%0.353CS..Hα-helixtrans-72-24.8-175.800000114.5R129 F130 Q140 L141 D142 E146R129-A144 HydrophobicContact CB-CB 4.39Å; F130-A144 HydrophobicContact CE2-CB 3.85Å; F130-A144 HydrophobicContact CZ-CB 4.42Å; Q140-A144 VanDerWaalsContact O-CB 3.25Å; Q140-A144 WeakPolarHBondContact O-CB 3.49Å; Q140-A144 PolarHBondContact O-N 3.28Å; L141-A144 PolarHBondContact O-N 2.88Å; D142-A144 VanDerWaalsContact C-N 3.26Å; D142-A144 PolarHBondContact O-N 3.49Å; A144-E146 VanDerWaalsContact C-N 3.32Å
145G82.2Confident87.9Confident0 Ų069.9 Ų69.90%035%0.354CS..THydrogen-bonded Turntrans-87.83.9167.200000114.1E143 S147 D148 N151 F152E143-G145 PolarHBondContact O-N 3.08Å; G145-S147 PolarHBondContact O-N 3.36Å; G145-D148 PolarHBondContact O-N 3.5Å; G145-N151 VanDerWaalsContact O-CB 3.25Å; G145-N151 WeakPolarHBondContact O-CB 3.38Å; G145-N151 PolarHBondContact O-ND2 2.98Å; G145-F152 VanDerWaalsContact CA-CE1 3.44Å
146E84.4Confident88.2Confident117 Ų11764.2 Ų64.255%0.54733%0.327SS..THydrogen-bonded Turntrans5720.8172.7-47.2-165.7151.800115R129 E143 A144 D148R129-E146 IonicContact CZ-OE1 3.18Å; R129-E146 IonicContact NE-OE1 2.77Å; R129-E146 IonicContact NH2-OE1 2.7Å; R129-E146 PolarHBondContact NH2-OE1 3.38Å; E143-E146 PolarHBondContact O-N 2.73Å; A144-E146 VanDerWaalsContact C-N 3.32Å; E146-D148 PolarHBondContact O-N 3.17Å
147S79.8Confident88.5Confident105 Ų10564.5 Ų64.573%0.73433%0.331SS*.THydrogen-bonded Turntrans63.610.9-170.5-520000116.1G145G145-S147 PolarHBondContact O-N 3.36Å
148D86Confident88.8Confident65 Ų6562.7 Ų62.735%0.34832%0.316SS..  trans-95.3126.2174.9-170-20.3000111.1G145 E146 N150 N151 F152G145-D148 PolarHBondContact O-N 3.5Å; E146-D148 PolarHBondContact O-N 3.17Å; D148-N150 PolarHBondContact O-N 2.71Å; D148-N150 WeakPolarHBondContact OD1-CB 3.46Å; D148-N150 PolarHBondContact OD1-N 2.97Å; D148-N150 PolarHBondContact OD1-ND2 2.67Å; D148-N151 HydrophobicContact CB-CB 4.13Å; D148-N151 WeakPolarHBondContact O-CB 3.45Å; D148-N151 PolarHBondContact O-N 2.98Å; D148-N151 VanDerWaalsContact O-N 3.1Å; D148-F152 WeakPolarHBondContact O-CD2 3.41Å; D148-F152 PolarHBondContact O-N 3.38Å
149V88.9Confident89.3Confident42 Ų4258.7 Ų58.726%0.25529%0.294SS..Hα-helixtrans-58-35.2176.3-176.70000111.7F152 F153 L217 C220 L221V149-F152 PolarHBondContact O-N 2.95Å; V149-F153 VanDerWaalsContact O-CB 3.3Å; V149-F153 WeakPolarHBondContact O-CB 3.43Å; V149-F153 PolarHBondContact O-N 3.11Å; V149-L217 HydrophobicContact CG1-CD2 4.14Å; V149-C220 HydrophobicContact CG1-CB 4.15Å; V149-C220 HydrophobicContact CG2-CB 3.75Å; V149-L221 HydrophobicContact CG1-CD1 3.73Å; V149-L221 HydrophobicContact CG1-CD2 3.86Å; V149-L221 HydrophobicContact CG1-CG 3.67Å
150N88.7Confident89.7Confident115 Ų11549.2 Ų49.262%0.61526%0.259SS*.Hα-helixtrans-66.5-38.9176.9-58.4-78.2000111.6D148 F153 Q154D148-N150 PolarHBondContact O-N 2.71Å; D148-N150 WeakPolarHBondContact OD1-CB 3.46Å; D148-N150 PolarHBondContact OD1-N 2.97Å; D148-N150 PolarHBondContact OD1-ND2 2.67Å; N150-F153 PolarHBondContact O-N 3.1Å; N150-Q154 WeakPolarHBondContact O-CB 3.41Å; N150-Q154 PolarHBondContact O-N 3.41Å
151N90.5Very high90Very high63 Ų6348.1 Ų48.134%0.33726%0.256SS..Hα-helixtrans-68.6-44.3176.3-73.7-14.6000110.9G145 D148 F153 Q154 L155G145-N151 VanDerWaalsContact O-CB 3.25Å; G145-N151 WeakPolarHBondContact O-CB 3.38Å; G145-N151 PolarHBondContact O-ND2 2.98Å; D148-N151 HydrophobicContact CB-CB 4.13Å; D148-N151 WeakPolarHBondContact O-CB 3.45Å; D148-N151 PolarHBondContact O-N 2.98Å; D148-N151 VanDerWaalsContact O-N 3.1Å; N151-F153 VanDerWaalsContact C-N 3.29Å; N151-F153 PolarHBondContact O-N 2.66Å; N151-Q154 PolarHBondContact O-N 3.04Å; N151-L155 WeakPolarHBondContact O-CB 3.26Å; N151-L155 PolarHBondContact O-N 3.45Å
152F90.9Very high90.4Very high7 Ų747.9 Ų47.93%0.03126%0.255CS..Hα-helixtrans-61.3-37.6173.7-64.8-61.9000112.1D142 G145 D148 V149 T156 L213 K216 L217D142-F152 WeakPolarHBondContact O-CZ 3.46Å; G145-F152 VanDerWaalsContact CA-CE1 3.44Å; D148-F152 WeakPolarHBondContact O-CD2 3.41Å; D148-F152 PolarHBondContact O-N 3.38Å; V149-F152 PolarHBondContact O-N 2.95Å; F152-T156 WeakPolarHBondContact O-CB 3.22Å; F152-T156 PolarHBondContact O-N 2.9Å; F152-T156 PolarHBondContact O-OG1 2.9Å; F152-L213 HydrophobicContact CD1-CD2 3.6Å; F152-L213 HydrophobicContact CE1-CD2 4.33Å; F152-L213 HydrophobicContact CG-CD2 4.46Å; F152-K216 HydrophobicContact CD1-CD 4.2Å; F152-K216 HydrophobicContact CD2-CD 4.31Å; F152-K216 HydrophobicContact CE1-CD 3.97Å; F152-K216 HydrophobicContact CE2-CD 4.12Å; F152-K216 HydrophobicContact CG-CD 4.38Å; F152-K216 HydrophobicContact CZ-CD 3.98Å; F152-L217 HydrophobicContact CB-CD2 3.9Å; F152-L217 HydrophobicContact CB-CG 4.37Å
153F92.9Very high90.9Very high68 Ų6844.5 Ų44.530%0.29824%0.237SC..Hα-helixtrans-65.3-53.2177.3-172.9-83000110.9V149 N150 N151 L155 T156 V157 L217 L221 L226 H229V149-F153 VanDerWaalsContact O-CB 3.3Å; V149-F153 WeakPolarHBondContact O-CB 3.43Å; V149-F153 PolarHBondContact O-N 3.11Å; N150-F153 PolarHBondContact O-N 3.1Å; N151-F153 VanDerWaalsContact C-N 3.29Å; N151-F153 PolarHBondContact O-N 2.66Å; F153-L155 PolarHBondContact O-N 3.47Å; F153-T156 PolarHBondContact O-N 2.74Å; F153-V157 HydrophobicContact CD1-CG2 4.45Å; F153-V157 HydrophobicContact CE1-CG2 4.42Å; F153-V157 PolarHBondContact O-N 2.62Å; F153-L217 HydrophobicContact CB-CD2 4.05Å; F153-L221 HydrophobicContact CD2-CD1 4.11Å; F153-L226 HydrophobicContact CD2-CD2 4.24Å; F153-L226 HydrophobicContact CE2-CD2 4.22Å; F153-H229 AromaticContact CD2-CE1 3.87Å; F153-H229 AromaticContact CE1-CE1 3.77Å; F153-H229 AromaticContact CE2-CE1 3.4Å; F153-H229 VanDerWaalsContact CE2-CE1 3.4Å; F153-H229 WeakPolarHBondContact CE2-CE1 3.35Å; F153-H229 AromaticContact CE2-ND1 3.93Å; F153-H229 AromaticContact CZ-CE1 3.36Å; F153-H229 WeakPolarHBondContact CZ-CE1 3.48Å
154Q92.4Very high91.3Very high94 Ų9442.1 Ų42.144%0.43923%0.225SC..Hα-helixtrans-61.4-41.8178.2-176.559.430.400112.1N150 N151 T156 V157 E158N150-Q154 WeakPolarHBondContact O-CB 3.41Å; N150-Q154 PolarHBondContact O-N 3.41Å; N151-Q154 PolarHBondContact O-N 3.04Å; Q154-T156 VanDerWaalsContact C-N 3.32Å; Q154-T156 PolarHBondContact O-N 3.01Å; Q154-V157 PolarHBondContact O-N 3.39Å; Q154-E158 PolarHBondContact NE2-OE1 2.93Å; Q154-E158 WeakPolarHBondContact O-CG 3.31Å; Q154-E158 PolarHBondContact O-N 2.88Å
155L93.4Very high91.8Very high5 Ų542.8 Ų42.83%0.02623%0.228CC..Hα-helixtrans-61.1-39.4175.8-179.462.2000111.9Y123 F130 N151 F153 E158 M159 L213Y123-L155 HydrophobicContact CE2-CD1 4.29Å; F130-L155 HydrophobicContact CE2-CD1 3.74Å; F130-L155 HydrophobicContact CE2-CD2 4.17Å; F130-L155 HydrophobicContact CZ-CD1 3.91Å; F130-L155 HydrophobicContact CZ-CD2 4.05Å; F130-L155 HydrophobicContact CZ-CG 4.47Å; N151-L155 WeakPolarHBondContact O-CB 3.26Å; N151-L155 PolarHBondContact O-N 3.45Å; F153-L155 PolarHBondContact O-N 3.47Å; L155-E158 PolarHBondContact O-N 3.02Å; L155-M159 HydrophobicContact CD1-CE 4.08Å; L155-M159 HydrophobicContact CD2-CE 4.41Å; L155-M159 HydrophobicContact CG-CE 4.09Å; L155-M159 WeakPolarHBondContact O-CG 3.37Å; L155-M159 PolarHBondContact O-N 3.44Å; L155-L213 HydrophobicContact CD2-CD1 3.97Å; L155-L213 HydrophobicContact CD2-CD2 4.34Å; L155-L213 HydrophobicContact CG-CD1 3.97Å
156T94.4Very high92.5Very high0 Ų042.8 Ų42.80%023%0.228CC..Hα-helixtrans-67.2-42177-53.70000111.5F152 F153 Q154 E158 M159 F160 L213 L214 L217F152-T156 WeakPolarHBondContact O-CB 3.22Å; F152-T156 PolarHBondContact O-N 2.9Å; F152-T156 PolarHBondContact O-OG1 2.9Å; F153-T156 PolarHBondContact O-N 2.74Å; Q154-T156 VanDerWaalsContact C-N 3.32Å; Q154-T156 PolarHBondContact O-N 3.01Å; T156-E158 VanDerWaalsContact C-N 3.34Å; T156-E158 PolarHBondContact O-N 3.08Å; T156-M159 PolarHBondContact O-N 3.08Å; T156-F160 HydrophobicContact CG2-CD2 4.24Å; T156-F160 HydrophobicContact CG2-CE2 3.8Å; T156-F160 HydrophobicContact CG2-CZ 4.05Å; T156-F160 WeakPolarHBondContact O-CD2 3.23Å; T156-F160 WeakPolarHBondContact O-CG 3.41Å; T156-F160 PolarHBondContact O-N 3.35Å; T156-L213 WeakPolarHBondContact OG1-CB 3.3Å; T156-L214 HydrophobicContact CG2-CD2 4.06Å; T156-L214 HydrophobicContact CG2-CG 4.24Å; T156-L217 HydrophobicContact CG2-CD1 4.38Å; T156-L217 WeakPolarHBondContact OG1-CD1 3.48Å
157V94.7Very high93.1Very high33 Ų3337.5 Ų37.520%0.220%0.204CC..Hα-helixtrans-59.8-44173175.50000111.2F153 Q154 F160 D161 H229F153-V157 HydrophobicContact CD1-CG2 4.45Å; F153-V157 HydrophobicContact CE1-CG2 4.42Å; F153-V157 PolarHBondContact O-N 2.62Å; Q154-V157 PolarHBondContact O-N 3.39Å; V157-F160 WeakPolarHBondContact O-CB 3.36Å; V157-F160 PolarHBondContact O-N 2.79Å; V157-D161 PolarHBondContact O-N 2.87Å; V157-H229 WeakPolarHBondContact CG2-NE2 3.46Å
158E94.8Very high93.9Very high18 Ų1835.8 Ų35.88%0.08419%0.186CC..Hα-helixtrans-70.9-32.4-179.7-70.4-176.1-175.200113.3Y123 K126 N127 Q154 L155 T156 Y162Y123-E158 HydrophobicContact CD2-CB 4.02Å; Y123-E158 HydrophobicContact CE2-CB 4.12Å; K126-E158 VanDerWaalsContact CD-CD 3.48Å; K126-E158 VanDerWaalsContact CD-OE1 3.23Å; K126-E158 WeakPolarHBondContact CD-OE1 3.27Å; K126-E158 WeakPolarHBondContact CD-OE2 3.3Å; K126-E158 WeakPolarHBondContact CE-OE1 3.47Å; K126-E158 VanDerWaalsContact NZ-CD 3.28Å; K126-E158 IonicContact NZ-OE1 3.35Å; K126-E158 PolarHBondContact NZ-OE1 3.21Å; K126-E158 IonicContact NZ-OE2 2.78Å; N127-E158 PolarHBondContact ND2-OE2 3.31Å; Q154-E158 PolarHBondContact NE2-OE1 2.93Å; Q154-E158 WeakPolarHBondContact O-CG 3.31Å; Q154-E158 PolarHBondContact O-N 2.88Å; L155-E158 PolarHBondContact O-N 3.02Å; T156-E158 VanDerWaalsContact C-N 3.34Å; T156-E158 PolarHBondContact O-N 3.08Å; E158-Y162 WeakPolarHBondContact O-CB 3.36Å; E158-Y162 PolarHBondContact O-N 3.31Å; E158-Y162 VanDerWaalsContact O-N 3.11Å
159M95.4Very high94.3Very high0 Ų032.7 Ų32.70%017%0.17CC..Hα-helixtrans-66.4-40.4168.7-74.4-172.9-177.900112Y123 F130 L141 L155 T156 Y162 L163 L206 Y209 T210 L213Y123-M159 HydrophobicContact CE2-CG 4.05Å; Y123-M159 VanDerWaalsContact OH-CE 3.27Å; Y123-M159 WeakPolarHBondContact OH-CE 3.4Å; F130-M159 HydrophobicContact CD1-CE 4.49Å; F130-M159 HydrophobicContact CE1-CE 3.37Å; F130-M159 HydrophobicContact CZ-CE 3.39Å; L141-M159 HydrophobicContact CD1-CE 4.13Å; L155-M159 HydrophobicContact CD1-CE 4.08Å; L155-M159 HydrophobicContact CD2-CE 4.41Å; L155-M159 HydrophobicContact CG-CE 4.09Å; L155-M159 WeakPolarHBondContact O-CG 3.37Å; L155-M159 PolarHBondContact O-N 3.44Å; T156-M159 PolarHBondContact O-N 3.08Å; M159-Y162 PolarHBondContact O-N 2.93Å; M159-L163 VanDerWaalsContact O-CB 3.27Å; M159-L163 WeakPolarHBondContact O-CB 3.47Å; M159-L163 PolarHBondContact O-N 3.48Å; M159-L206 HydrophobicContact CB-CD2 4.31Å; M159-L206 HydrophobicContact CG-CD2 4.12Å; M159-Y209 HydrophobicContact CE-CD2 3.98Å; M159-Y209 HydrophobicContact CE-CG 4.27Å; M159-T210 HydrophobicContact CB-CG2 3.61Å; M159-T210 HydrophobicContact SD-CG2 4.14Å; M159-L213 HydrophobicContact CE-CD1 3.87Å; M159-L213 HydrophobicContact SD-CD1 3.6Å
160F96.5Very high94.6Very high2 Ų230.8 Ų30.81%0.00916%0.158CC..Hα-helixtrans-62.9-42.9174.1-72.5-39.6000112.2T156 V157 Y162 L163 E164 T210 L214 H229 R232 F233 Q236T156-F160 HydrophobicContact CG2-CD2 4.24Å; T156-F160 HydrophobicContact CG2-CE2 3.8Å; T156-F160 HydrophobicContact CG2-CZ 4.05Å; T156-F160 WeakPolarHBondContact O-CD2 3.23Å; T156-F160 WeakPolarHBondContact O-CG 3.41Å; T156-F160 PolarHBondContact O-N 3.35Å; V157-F160 WeakPolarHBondContact O-CB 3.36Å; V157-F160 PolarHBondContact O-N 2.79Å; F160-Y162 VanDerWaalsContact C-N 3.29Å; F160-Y162 PolarHBondContact O-N 3.45Å; F160-L163 PolarHBondContact O-N 3.36Å; F160-E164 WeakPolarHBondContact O-CB 3.3Å; F160-E164 PolarHBondContact O-N 2.68Å; F160-T210 HydrophobicContact CD1-CG2 4.05Å; F160-T210 HydrophobicContact CE1-CG2 4.08Å; F160-L214 HydrophobicContact CZ-CD1 4.06Å; F160-L214 HydrophobicContact CZ-CD2 4.21Å; F160-H229 HydrophobicContact CE2-CB 4.32Å; F160-H229 AromaticContact CE2-CD2 3.76Å; F160-H229 WeakPolarHBondContact CZ-O 3.37Å; F160-R232 HydrophobicContact CD2-CB 4.17Å; F160-R232 HydrophobicContact CE2-CB 4.13Å; F160-R232 HydrophobicContact CG-CB 4.45Å; F160-R232 HydrophobicContact CZ-CB 4.38Å; F160-F233 HydrophobicContact CE1-CB 4Å; F160-F233 HydrophobicContact CE1-CD2 4.25Å; F160-F233 HydrophobicContact CZ-CB 3.95Å; F160-Q236 PolarHBondContact O-NE2 3.35Å
161D95.5Very high94.8Very high68 Ų6828.4 Ų28.436%0.36414%0.143SC..Hα-helixtrans-65-34.7179-69.4-3.9000112.1V157 C165 R232V157-D161 PolarHBondContact O-N 2.87Å; D161-C165 PolarHBondContact O-N 3.35Å; D161-C165 PolarHBondContact O-SG 3.37Å; D161-R232 IonicContact OD1-CZ 3.13Å; D161-R232 VanDerWaalsContact OD1-CZ 3.23Å; D161-R232 IonicContact OD1-NH1 3.52Å; D161-R232 PolarHBondContact OD1-NH1 3.34Å; D161-R232 IonicContact OD1-NH2 2.83Å; D161-R232 PolarHBondContact OD1-NH2 2.77Å
162Y96.8Very high94.9Very high0 Ų026.7 Ų26.70%014%0.135CC..Hα-helixtrans-73.8-49.5175.3-174.5-173.2000111.2L116 K120 Y123 L134 E158 M159 F160 E164 C165 E166 D202 L206L116-Y162 HydrophobicContact CD1-CD2 4Å; L116-Y162 HydrophobicContact CD1-CE2 3.87Å; K120-Y162 HydrophobicContact CB-CE2 3.96Å; K120-Y162 VanDerWaalsContact CD-OH 3.3Å; K120-Y162 WeakPolarHBondContact CD-OH 3.31Å; K120-Y162 HydrophobicContact CG-CE1 4.25Å; K120-Y162 HydrophobicContact CG-CE2 4.26Å; K120-Y162 WeakPolarHBondContact CG-OH 3.39Å; K120-Y162 PolarHBondContact NZ-OH 2.85Å; Y123-Y162 AromaticContact CD1-CD1 3.89Å; Y123-Y162 HydrophobicContact CD1-CD1 3.89Å; Y123-Y162 HydrophobicContact CD1-CE1 4.07Å; Y123-Y162 HydrophobicContact CD2-CD1 4.14Å; Y123-Y162 HydrophobicContact CE1-CD1 4.41Å; Y123-Y162 AromaticContact CG-CD1 3.76Å; Y123-Y162 HydrophobicContact CG-CD1 3.76Å; Y123-Y162 HydrophobicContact CG-CE1 4.35Å; L134-Y162 HydrophobicContact CD1-CE1 4.05Å; E158-Y162 WeakPolarHBondContact O-CB 3.36Å; E158-Y162 PolarHBondContact O-N 3.31Å; E158-Y162 VanDerWaalsContact O-N 3.11Å; M159-Y162 PolarHBondContact O-N 2.93Å; F160-Y162 VanDerWaalsContact C-N 3.29Å; F160-Y162 PolarHBondContact O-N 3.45Å; Y162-E164 VanDerWaalsContact C-N 3.25Å; Y162-E164 PolarHBondContact O-N 2.88Å; Y162-C165 WeakPolarHBondContact O-CB 3.25Å; Y162-C165 PolarHBondContact O-N 3.18Å; Y162-E166 HydrophobicContact CD2-CG 4.15Å; Y162-E166 HydrophobicContact CE2-CG 3.9Å; Y162-E166 WeakPolarHBondContact CE2-OE1 3.44Å; Y162-E166 PolarHBondContact O-N 3.31Å; Y162-E166 VanDerWaalsContact O-N 3.09Å; Y162-D202 VanDerWaalsContact OH-CG 3.29Å; Y162-D202 PolarHBondContact OH-OD2 3.43Å; Y162-L206 HydrophobicContact CD1-CD1 4.09Å; Y162-L206 HydrophobicContact CD1-CD2 3.94Å; Y162-L206 HydrophobicContact CD2-CD1 4.24Å; Y162-L206 HydrophobicContact CE1-CD1 4.23Å; Y162-L206 HydrophobicContact CE1-CD2 4.28Å; Y162-L206 HydrophobicContact CE2-CD1 4.32Å; Y162-L206 HydrophobicContact CG-CD1 4.04Å; Y162-L206 HydrophobicContact CG-CD2 4.5Å
163L96.7Very high95Very high4 Ų426.3 Ų26.32%0.02113%0.134CC..Hα-helixtrans-59.5-36.1176.4-17952.9000111.8M159 F160 C165 E166 L167 C203 L206 Q236M159-L163 VanDerWaalsContact O-CB 3.27Å; M159-L163 WeakPolarHBondContact O-CB 3.47Å; M159-L163 PolarHBondContact O-N 3.48Å; F160-L163 PolarHBondContact O-N 3.36Å; L163-C165 PolarHBondContact O-N 2.98Å; L163-E166 PolarHBondContact O-N 2.89Å; L163-L167 HydrophobicContact CD1-CD1 4.18Å; L163-L167 HydrophobicContact CD1-CG 4.13Å; L163-L167 HydrophobicContact CG-CD1 3.96Å; L163-L167 HydrophobicContact CG-CG 4.41Å; L163-L167 WeakPolarHBondContact O-CB 3.45Å; L163-L167 WeakPolarHBondContact O-CG 3.32Å; L163-L167 PolarHBondContact O-N 2.93Å; L163-C203 HydrophobicContact CD1-CB 4.08Å; L163-C203 VanDerWaalsContact CD1-SG 3.55Å; L163-L206 HydrophobicContact CB-CB 4.28Å; L163-L206 HydrophobicContact CB-CD1 4.11Å; L163-L206 HydrophobicContact CD1-CB 4.31Å; L163-L206 HydrophobicContact CD1-CD1 4.43Å; L163-L206 HydrophobicContact CD2-CB 4.39Å; L163-Q236 HydrophobicContact CD2-CB 4.49Å
164E96.4Very high94.8Very high63 Ų6323.3 Ų23.329%0.29412%0.121SC..Hα-helixtrans-63-38.5173-170.4168.5158.800112.7F160 Y162 N168 R232F160-E164 WeakPolarHBondContact O-CB 3.3Å; F160-E164 PolarHBondContact O-N 2.68Å; Y162-E164 VanDerWaalsContact C-N 3.25Å; Y162-E164 PolarHBondContact O-N 2.88Å; E164-N168 VanDerWaalsContact O-CB 3.28Å; E164-N168 WeakPolarHBondContact O-CB 3.28Å; E164-N168 VanDerWaalsContact O-CG 3.28Å; E164-N168 PolarHBondContact O-N 2.84Å; E164-N168 PolarHBondContact O-ND2 3.47Å; E164-R232 IonicContact OE2-CZ 3.53Å; E164-R232 IonicContact OE2-NH2 3.85Å; E164-R232 PolarHBondContact OE2-NH2 2.91Å
165C97Very high94.6Very high29 Ų2924.5 Ų24.520%0.19613%0.13CC..Hα-helixtrans-66.5-39174.5-69.90000112.3L116 T119 D161 Y162 L163 L169L116-C165 HydrophobicContact CB-CB 4.23Å; L116-C165 HydrophobicContact CD1-CB 3.57Å; T119-C165 PolarHBondContact OG1-SG 3.35Å; D161-C165 PolarHBondContact O-N 3.35Å; D161-C165 PolarHBondContact O-SG 3.37Å; Y162-C165 WeakPolarHBondContact O-CB 3.25Å; Y162-C165 PolarHBondContact O-N 3.18Å; L163-C165 PolarHBondContact O-N 2.98Å; C165-L169 PolarHBondContact O-N 3.37Å; C165-L169 VanDerWaalsContact O-N 3.08Å
166E97Very high94.3Very high0 Ų025.9 Ų25.90%014%0.14CC..Hα-helixtrans-64.5-49.4176.5-69.8-68.4-179.300111.2H71 L116 Y162 L163 N168 L169 F170 V199 L206H71-E166 IonicContact CE1-OE1 3.44Å; H71-E166 PolarHBondContact CE1-OE1 3.07Å; H71-E166 IonicContact NE2-OE1 2.72Å; L116-E166 HydrophobicContact CD1-CG 3.77Å; L116-E166 WeakPolarHBondContact CD2-OE2 3.35Å; Y162-E166 HydrophobicContact CD2-CG 4.15Å; Y162-E166 HydrophobicContact CE2-CG 3.9Å; Y162-E166 WeakPolarHBondContact CE2-OE1 3.44Å; Y162-E166 PolarHBondContact O-N 3.31Å; Y162-E166 VanDerWaalsContact O-N 3.09Å; L163-E166 PolarHBondContact O-N 2.89Å; E166-N168 VanDerWaalsContact C-N 3.35Å; E166-N168 PolarHBondContact O-N 3.45Å; E166-L169 PolarHBondContact O-N 2.87Å; E166-F170 PolarHBondContact O-N 3.37Å; E166-V199 HydrophobicContact CB-CG1 3.99Å; E166-V199 WeakPolarHBondContact O-CG1 3.5Å; E166-V199 WeakPolarHBondContact OE2-CA 3.2Å; E166-V199 WeakPolarHBondContact OE2-CB 3.33Å; E166-V199 WeakPolarHBondContact OE2-CG1 3.35Å; E166-V199 VanDerWaalsContact OE2-CG2 3.31Å; E166-V199 WeakPolarHBondContact OE2-CG2 3.33Å; E166-L206 HydrophobicContact CG-CD1 4.42Å
167L96.6Very high93.7Very high7 Ų726.9 Ų26.94%0.03715%0.145CC..Hα-helixtrans-61-40.2177.3-68.4168.2000112.3L163 F170 Q171 Q236 K239 L240 L243L163-L167 HydrophobicContact CD1-CD1 4.18Å; L163-L167 HydrophobicContact CD1-CG 4.13Å; L163-L167 HydrophobicContact CG-CD1 3.96Å; L163-L167 HydrophobicContact CG-CG 4.41Å; L163-L167 WeakPolarHBondContact O-CB 3.45Å; L163-L167 WeakPolarHBondContact O-CG 3.32Å; L163-L167 PolarHBondContact O-N 2.93Å; L167-F170 PolarHBondContact O-N 3.43Å; L167-Q171 PolarHBondContact O-N 2.79Å; L167-Q236 HydrophobicContact CD1-CB 3.93Å; L167-Q236 HydrophobicContact CD1-CG 4.05Å; L167-K239 HydrophobicContact CD1-CB 4.01Å; L167-K239 HydrophobicContact CD1-CD 4.4Å; L167-K239 HydrophobicContact CD2-CB 3.99Å; L167-K239 HydrophobicContact CG-CB 4.42Å; L167-L240 HydrophobicContact CD2-CB 4.06Å; L167-L240 HydrophobicContact CD2-CD1 4.24Å; L167-L243 HydrophobicContact CD2-CB 4.47Å; L167-L243 HydrophobicContact CD2-CD1 3.74Å
168N95.7Very high92.2Very high68 Ų6830.7 Ų30.736%0.36416%0.164SC..Hα-helixtrans-67-35.6176.1-81.2-49.8000112.7E164 E166 T172E164-N168 VanDerWaalsContact O-CB 3.28Å; E164-N168 WeakPolarHBondContact O-CB 3.28Å; E164-N168 VanDerWaalsContact O-CG 3.28Å; E164-N168 PolarHBondContact O-N 2.84Å; E164-N168 PolarHBondContact O-ND2 3.47Å; E166-N168 VanDerWaalsContact C-N 3.35Å; E166-N168 PolarHBondContact O-N 3.45Å; N168-T172 WeakPolarHBondContact O-CB 3.24Å; N168-T172 PolarHBondContact O-N 2.84Å; N168-T172 VanDerWaalsContact O-N 3.1Å; N168-T172 PolarHBondContact O-OG1 3.46Å
169L95.7Very high90.4Very high0 Ų034.9 Ų34.90%019%0.185CC..Hα-helixtrans-66-46.7173.2-179.160.3000111W64 I112 Y113 L116 C165 E166 Q171 T172 V173 V199W64-L169 HydrophobicContact CH2-CD1 4.03Å; W64-L169 HydrophobicContact CZ3-CD1 4.11Å; I112-L169 HydrophobicContact CG2-CB 4.17Å; I112-L169 HydrophobicContact CG2-CD1 4.19Å; Y113-L169 HydrophobicContact CD1-CD2 4.12Å; Y113-L169 HydrophobicContact CD2-CD2 3.5Å; Y113-L169 HydrophobicContact CE1-CD2 4.4Å; Y113-L169 HydrophobicContact CE2-CD2 3.82Å; Y113-L169 HydrophobicContact CG-CD1 4.21Å; Y113-L169 HydrophobicContact CG-CD2 3.67Å; L116-L169 HydrophobicContact CD2-CB 4.33Å; L116-L169 HydrophobicContact CD2-CD2 3.49Å; L116-L169 VanDerWaalsContact CD2-CD2 3.49Å; C165-L169 PolarHBondContact O-N 3.37Å; C165-L169 VanDerWaalsContact O-N 3.08Å; E166-L169 PolarHBondContact O-N 2.87Å; L169-Q171 PolarHBondContact O-N 3.25Å; L169-T172 PolarHBondContact O-N 3.48Å; L169-V173 HydrophobicContact CD1-CG2 4.17Å; L169-V173 HydrophobicContact CG-CG2 4.46Å; L169-V173 WeakPolarHBondContact O-CG2 3.2Å; L169-V173 PolarHBondContact O-N 2.73Å; L169-V199 HydrophobicContact CD2-CG2 4Å
170F94.9Very high88.6Confident3 Ų336.8 Ų36.81%0.01320%0.198CC..Hα-helixtrans-53-53.6173.8161.4-97.8000112E166 L167 T172 V173 F174 L196 V199 L243 R246E166-F170 PolarHBondContact O-N 3.37Å; L167-F170 PolarHBondContact O-N 3.43Å; F170-T172 VanDerWaalsContact C-N 3.28Å; F170-T172 PolarHBondContact O-N 2.83Å; F170-V173 PolarHBondContact O-N 3.4Å; F170-F174 AromaticContact CD2-CD2 3.61Å; F170-F174 HydrophobicContact CD2-CD2 3.61Å; F170-F174 AromaticContact CD2-CE2 3.71Å; F170-F174 HydrophobicContact CD2-CE2 3.71Å; F170-F174 HydrophobicContact CD2-CG 4.47Å; F170-F174 HydrophobicContact CE2-CD1 4.34Å; F170-F174 AromaticContact CE2-CD2 3.26Å; F170-F174 HydrophobicContact CE2-CD2 3.26Å; F170-F174 HydrophobicContact CE2-CE1 4.27Å; F170-F174 AromaticContact CE2-CE2 3.18Å; F170-F174 HydrophobicContact CE2-CE2 3.18Å; F170-F174 AromaticContact CE2-CG 3.87Å; F170-F174 HydrophobicContact CE2-CG 3.87Å; F170-F174 AromaticContact CE2-CZ 3.71Å; F170-F174 HydrophobicContact CE2-CZ 3.71Å; F170-F174 HydrophobicContact CZ-CD1 4.3Å; F170-F174 AromaticContact CZ-CD2 3.88Å; F170-F174 HydrophobicContact CZ-CD2 3.88Å; F170-F174 HydrophobicContact CZ-CE1 4.46Å; F170-F174 HydrophobicContact CZ-CE2 4.06Å; F170-F174 HydrophobicContact CZ-CG 4Å; F170-F174 HydrophobicContact CZ-CZ 4.33Å; F170-F174 PolarHBondContact O-N 2.86Å; F170-L196 HydrophobicContact CB-CD2 4.36Å; F170-L196 HydrophobicContact CD2-CD1 4.12Å; F170-V199 HydrophobicContact CB-CG1 4.33Å; F170-L243 HydrophobicContact CB-CD1 3.49Å; F170-L243 VanDerWaalsContact CB-CD1 3.49Å; F170-L243 HydrophobicContact CB-CG 4.13Å; F170-L243 HydrophobicContact CD1-CB 3.99Å; F170-L243 HydrophobicContact CD1-CD1 3.82Å; F170-L243 HydrophobicContact CD1-CG 3.83Å; F170-L243 HydrophobicContact CD2-CB 4.35Å; F170-L243 HydrophobicContact CD2-CD1 3.9Å; F170-L243 HydrophobicContact CD2-CD2 4.44Å; F170-L243 HydrophobicContact CD2-CG 3.52Å; F170-L243 HydrophobicContact CE1-CB 3.92Å; F170-L243 HydrophobicContact CE1-CG 4.13Å; F170-L243 HydrophobicContact CE2-CB 4.24Å; F170-L243 HydrophobicContact CE2-CG 3.79Å; F170-L243 HydrophobicContact CG-CB 4.22Å; F170-L243 HydrophobicContact CG-CD1 3.44Å; F170-L243 VanDerWaalsContact CG-CD1 3.44Å; F170-L243 HydrophobicContact CG-CG 3.53Å; F170-L243 HydrophobicContact CZ-CB 4.07Å; F170-L243 HydrophobicContact CZ-CG 4.12Å; F170-R246 HydrophobicContact CZ-CB 4.26Å
171Q93Very high86.7Confident64 Ų6444.5 Ų44.530%0.29923%0.227SC..Hα-helixtrans-60.9-39.5-176.6-172.465.671.500111.3L167 L169 N175L167-Q171 PolarHBondContact O-N 2.79Å; L169-Q171 PolarHBondContact O-N 3.25Å; Q171-N175 PolarHBondContact NE2-OD1 2.92Å; Q171-N175 VanDerWaalsContact O-CB 3.31Å; Q171-N175 WeakPolarHBondContact O-CB 3.49Å; Q171-N175 PolarHBondContact O-N 2.79Å; Q171-N175 PolarHBondContact O-OD1 2.79Å
172T92.2Very high84.8Confident27 Ų2744.7 Ų44.717%0.16623%0.234CC..Hα-helixtrans-70.6-40.6178.7-46.80000111.7Q108 L109 I112 N168 L169 F170 N175 S176Q108-T172 HydrophobicContact CG-CG2 3.98Å; L109-T172 HydrophobicContact CD2-CG2 3.74Å; I112-T172 HydrophobicContact CD1-CG2 3.91Å; I112-T172 VanDerWaalsContact CD1-OG1 3.22Å; I112-T172 WeakPolarHBondContact CD1-OG1 3.41Å; N168-T172 WeakPolarHBondContact O-CB 3.24Å; N168-T172 PolarHBondContact O-N 2.84Å; N168-T172 VanDerWaalsContact O-N 3.1Å; N168-T172 PolarHBondContact O-OG1 3.46Å; L169-T172 PolarHBondContact O-N 3.48Å; F170-T172 VanDerWaalsContact C-N 3.28Å; F170-T172 PolarHBondContact O-N 2.83Å; T172-N175 PolarHBondContact O-N 3.39Å; T172-S176 WeakPolarHBondContact O-CB 3.31Å; T172-S176 PolarHBondContact O-N 3.16Å
173V92.4Very high83.5Confident0 Ų046 Ų460%024%0.242CC..Hα-helixtrans-61.1-47.4174.3170.90000110.4W64 L109 L169 F170 S176 L177 R192 L196W64-V173 HydrophobicContact CH2-CG2 3.5Å; W64-V173 HydrophobicContact CZ2-CG2 3.97Å; L109-V173 HydrophobicContact CD2-CG2 3.98Å; L169-V173 HydrophobicContact CD1-CG2 4.17Å; L169-V173 HydrophobicContact CG-CG2 4.46Å; L169-V173 WeakPolarHBondContact O-CG2 3.2Å; L169-V173 PolarHBondContact O-N 2.73Å; F170-V173 PolarHBondContact O-N 3.4Å; V173-S176 WeakPolarHBondContact O-CB 3.49Å; V173-S176 PolarHBondContact O-N 3.07Å; V173-S176 VanDerWaalsContact O-N 3.11Å; V173-S176 PolarHBondContact O-OG 2.97Å; V173-L177 HydrophobicContact CG1-CD1 4.27Å; V173-L177 WeakPolarHBondContact O-CG 3.39Å; V173-R192 HydrophobicContact CG1-CB 4.4Å; V173-R192 WeakPolarHBondContact CG1-O 3.27Å; V173-L196 HydrophobicContact CB-CD1 4.1Å; V173-L196 HydrophobicContact CB-CD2 4.1Å; V173-L196 HydrophobicContact CB-CG 4.4Å; V173-L196 HydrophobicContact CG1-CD1 3.66Å; V173-L196 HydrophobicContact CG1-CD2 4.34Å; V173-L196 HydrophobicContact CG1-CG 4.09Å; V173-L196 HydrophobicContact CG2-CD2 4.02Å
174F89.1Confident82.5Confident5 Ų546 Ų462%0.02224%0.242CC..Hα-helixtrans-62.5-45177-93.1-110.9000111.8F170 S176 L177 M179 L193 L196 R246 L250F170-F174 AromaticContact CD2-CD2 3.61Å; F170-F174 HydrophobicContact CD2-CD2 3.61Å; F170-F174 AromaticContact CD2-CE2 3.71Å; F170-F174 HydrophobicContact CD2-CE2 3.71Å; F170-F174 HydrophobicContact CD2-CG 4.47Å; F170-F174 HydrophobicContact CE2-CD1 4.34Å; F170-F174 AromaticContact CE2-CD2 3.26Å; F170-F174 HydrophobicContact CE2-CD2 3.26Å; F170-F174 HydrophobicContact CE2-CE1 4.27Å; F170-F174 AromaticContact CE2-CE2 3.18Å; F170-F174 HydrophobicContact CE2-CE2 3.18Å; F170-F174 AromaticContact CE2-CG 3.87Å; F170-F174 HydrophobicContact CE2-CG 3.87Å; F170-F174 AromaticContact CE2-CZ 3.71Å; F170-F174 HydrophobicContact CE2-CZ 3.71Å; F170-F174 HydrophobicContact CZ-CD1 4.3Å; F170-F174 AromaticContact CZ-CD2 3.88Å; F170-F174 HydrophobicContact CZ-CD2 3.88Å; F170-F174 HydrophobicContact CZ-CE1 4.46Å; F170-F174 HydrophobicContact CZ-CE2 4.06Å; F170-F174 HydrophobicContact CZ-CG 4Å; F170-F174 HydrophobicContact CZ-CZ 4.33Å; F170-F174 PolarHBondContact O-N 2.86Å; F174-S176 PolarHBondContact O-N 3.47Å; F174-S176 VanDerWaalsContact O-N 3.09Å; F174-L177 PolarHBondContact O-N 3.02Å; F174-M179 HydrophobicContact CB-CE 4.24Å; F174-M179 HydrophobicContact CD1-CE 3.86Å; F174-M179 HydrophobicContact CD1-SD 3.98Å; F174-M179 HydrophobicContact CG-CE 4.4Å; F174-M179 WeakPolarHBondContact O-CE 3.45Å; F174-L193 HydrophobicContact CE2-CD2 4.07Å; F174-L193 HydrophobicContact CZ-CD2 4.49Å; F174-L196 HydrophobicContact CD2-CD1 3.88Å; F174-L196 HydrophobicContact CE2-CD1 3.61Å; F174-R246 HydrophobicContact CD1-CB 4.47Å; F174-R246 HydrophobicContact CE1-CB 3.78Å; F174-R246 HydrophobicContact CZ-CB 4.22Å; F174-L250 HydrophobicContact CE1-CD1 3.95Å; F174-L250 HydrophobicContact CE2-CD1 4.42Å; F174-L250 HydrophobicContact CZ-CD1 3.52Å; F174-L250 HydrophobicContact CZ-CG 4.46Å
175N88.2Confident81.6Confident118 Ų11846.8 Ų46.863%0.63125%0.252SS*.Hα-helixtrans-62.8-17175.9-66.92000113.6Q171 T172Q171-N175 PolarHBondContact NE2-OD1 2.92Å; Q171-N175 VanDerWaalsContact O-CB 3.31Å; Q171-N175 WeakPolarHBondContact O-CB 3.49Å; Q171-N175 PolarHBondContact O-N 2.79Å; Q171-N175 PolarHBondContact O-OD1 2.79Å; T172-N175 PolarHBondContact O-N 3.39Å
176S87.4Confident81.1Confident34 Ų3448.4 Ų48.424%0.23826%0.261CS..THydrogen-bonded Turntrans-89.63.4175.181.10000114.8T172 V173 F174 R192T172-S176 WeakPolarHBondContact O-CB 3.31Å; T172-S176 PolarHBondContact O-N 3.16Å; V173-S176 WeakPolarHBondContact O-CB 3.49Å; V173-S176 PolarHBondContact O-N 3.07Å; V173-S176 VanDerWaalsContact O-N 3.11Å; V173-S176 PolarHBondContact O-OG 2.97Å; F174-S176 PolarHBondContact O-N 3.47Å; F174-S176 VanDerWaalsContact O-N 3.09Å; S176-R192 PolarHBondContact O-NH1 3.48Å; S176-R192 VanDerWaalsContact O-NH1 3.17Å
177L82.5Confident80.6Confident21 Ų2150.7 Ų50.711%0.1128%0.279CS..SBendtrans-121.1139-178.9-61.6171.1000109.5V173 F174 M179 V183 R192 L193V173-L177 HydrophobicContact CG1-CD1 4.27Å; V173-L177 WeakPolarHBondContact O-CG 3.39Å; F174-L177 PolarHBondContact O-N 3.02Å; L177-M179 HydrophobicContact CB-CE 4.05Å; L177-M179 WeakPolarHBondContact O-CE 3.44Å; L177-V183 HydrophobicContact CB-CG1 4.3Å; L177-V183 HydrophobicContact CD2-CG1 3.71Å; L177-V183 HydrophobicContact CG-CG1 4.49Å; L177-R192 HydrophobicContact CD2-CB 4.1Å; L177-L193 HydrophobicContact CD1-CD2 3.59Å; L177-L193 HydrophobicContact CD1-CG 3.93Å
178D62.5Low80.2Confident113 Ų11351.7 Ų51.760%0.60429%0.288SS*.  trans-65.4133.8161.4167.440.5000108.8S180 V183D178-S180 PolarHBondContact O-N 3.37Å; D178-S180 WeakPolarHBondContact OD2-CB 3.04Å; D178-S180 PolarHBondContact OD2-OG 3.02Å; D178-V183 HydrophobicContact CB-CG2 4.12Å; D178-V183 WeakPolarHBondContact O-CG2 3.39Å
179M57.2Low79.9Confident107 Ų10748.5 Ų48.553%0.52727%0.272SS..SBendtrans-73.812.1-170.7-69.7-67.2100.800114.1F174 L177F174-M179 HydrophobicContact CB-CE 4.24Å; F174-M179 HydrophobicContact CD1-CE 3.86Å; F174-M179 HydrophobicContact CD1-SD 3.98Å; F174-M179 HydrophobicContact CG-CE 4.4Å; F174-M179 WeakPolarHBondContact O-CE 3.45Å; L177-M179 HydrophobicContact CB-CE 4.05Å; L177-M179 WeakPolarHBondContact O-CE 3.44Å
180S56.8Low79.7Confident39 Ų3951 Ų5127%0.27328%0.284SS..  trans-75.4134.5176.267.70000111.9D178 S182 V183D178-S180 PolarHBondContact O-N 3.37Å; D178-S180 WeakPolarHBondContact OD2-CB 3.04Å; D178-S180 PolarHBondContact OD2-OG 3.02Å; S180-S182 VanDerWaalsContact CB-OG 3.28Å; S180-S182 WeakPolarHBondContact CB-OG 3.42Å; S180-S182 PolarHBondContact O-N 2.78Å; S180-S182 PolarHBondContact OG-OG 3.13Å; S180-V183 PolarHBondContact O-N 2.98Å
181R56.8Low79.7Confident164 Ų16451 Ų5162%0.61928%0.284SS*.G310 helixtrans-53-29178.7-73.3-178.6172176.1-1.7112.7V183 S184R181-V183 VanDerWaalsContact C-N 3.34Å; R181-V183 PolarHBondContact O-N 2.82Å; R181-S184 PolarHBondContact O-N 3.21Å; R181-S184 PolarHBondContact O-OG 2.99Å
182S56.5Low79.7Confident72 Ų7250.7 Ų50.750%0.50328%0.28SS..G310 helixtrans-54.6-37.9172.7210000114.5S180 S184 V185S180-S182 VanDerWaalsContact CB-OG 3.28Å; S180-S182 WeakPolarHBondContact CB-OG 3.42Å; S180-S182 PolarHBondContact O-N 2.78Å; S180-S182 PolarHBondContact OG-OG 3.13Å; S182-S184 PolarHBondContact O-N 3.32Å; S182-V185 WeakPolarHBondContact O-CG2 3.38Å; S182-V185 PolarHBondContact O-N 3Å; S182-V185 VanDerWaalsContact O-N 3.15Å
183V68.1Low79.8Confident29 Ų2949.4 Ų49.418%0.17627%0.272CS..G310 helixtrans-62.7-34.9-178172.30000111.3L177 D178 S180 R181 V185 T186L177-V183 HydrophobicContact CB-CG1 4.3Å; L177-V183 HydrophobicContact CD2-CG1 3.71Å; L177-V183 HydrophobicContact CG-CG1 4.49Å; D178-V183 HydrophobicContact CB-CG2 4.12Å; D178-V183 WeakPolarHBondContact O-CG2 3.39Å; S180-V183 PolarHBondContact O-N 2.98Å; R181-V183 VanDerWaalsContact C-N 3.34Å; R181-V183 PolarHBondContact O-N 2.82Å; V183-V185 PolarHBondContact O-N 3.22Å; V183-V185 VanDerWaalsContact O-N 3.14Å; V183-T186 PolarHBondContact O-N 3.48Å; V183-T186 PolarHBondContact O-OG1 3.11Å
184S76.6Confident79.9Confident2 Ų249.5 Ų49.51%0.01427%0.273CS..G310 helixtrans-66.8-11.1178.973.90000115.4R181 S182 Q190R181-S184 PolarHBondContact O-N 3.21Å; R181-S184 PolarHBondContact O-OG 2.99Å; S182-S184 PolarHBondContact O-N 3.32Å; S184-Q190 WeakPolarHBondContact O-CG 3.28Å; S184-Q190 PolarHBondContact O-NE2 3.47Å
185V76.6Confident80.2Confident81 Ų8149.3 Ų49.349%0.49127%0.272SS..G310 helixtrans-105.80.3172-86.50000114.1S182 V183S182-V185 WeakPolarHBondContact O-CG2 3.38Å; S182-V185 PolarHBondContact O-N 3Å; S182-V185 VanDerWaalsContact O-N 3.15Å; V183-V185 PolarHBondContact O-N 3.22Å; V183-V185 VanDerWaalsContact O-N 3.14Å
186T87.8Confident80.5Confident63 Ų6343.7 Ų43.739%0.38724%0.242SC..SBendtrans-82.5145.3171.168.50000111.4V183 A188 G189 Q190V183-T186 PolarHBondContact O-N 3.48Å; V183-T186 PolarHBondContact O-OG1 3.11Å; T186-A188 VanDerWaalsContact C-N 3.26Å; T186-A188 PolarHBondContact O-N 3.06Å; T186-G189 PolarHBondContact O-N 3.11Å; T186-G189 PolarHBondContact OG1-N 3.23Å; T186-Q190 WeakPolarHBondContact O-CB 3.4Å; T186-Q190 VanDerWaalsContact O-CG 3.26Å; T186-Q190 WeakPolarHBondContact O-CG 3.25Å; T186-Q190 PolarHBondContact O-N 2.94Å
187A86.6Confident80.8Confident47 Ų4743.3 Ų43.339%0.38824%0.237SC..Hα-helixtrans-59.4-36.9178.400000112.9E23 V24 C191E23-A187 CarbonylContact O-C 3.57Å; E23-A187 VanDerWaalsContact O-C 3.29Å; V24-A187 HydrophobicContact CG1-CB 4.47Å; V24-A187 HydrophobicContact CG2-CB 4.24Å; A187-C191 WeakPolarHBondContact O-CB 3.35Å; A187-C191 PolarHBondContact O-N 2.91Å
188A87.2Confident81.4Confident28 Ų2842.5 Ų42.523%0.23123%0.233CC..Hα-helixtrans-65.9-50.2175.100000112.4E23 T186 Q190 C191 R192E23-A188 VanDerWaalsContact CD-CB 3.48Å; E23-A188 HydrophobicContact CG-CB 4.07Å; E23-A188 PolarHBondContact O-N 3.22Å; E23-A188 WeakPolarHBondContact OE1-CB 3.48Å; T186-A188 VanDerWaalsContact C-N 3.26Å; T186-A188 PolarHBondContact O-N 3.06Å; A188-Q190 VanDerWaalsContact C-N 3.32Å; A188-Q190 PolarHBondContact O-N 2.75Å; A188-C191 WeakPolarHBondContact O-CA 3.36Å; A188-C191 VanDerWaalsContact O-CB 3.31Å; A188-C191 WeakPolarHBondContact O-CB 3.25Å; A188-C191 PolarHBondContact O-N 2.62Å; A188-C191 VanDerWaalsContact O-N 3.07Å; A188-R192 PolarHBondContact O-N 3.27Å; A188-R192 VanDerWaalsContact O-N 3.12Å
189G89.4Confident83Confident2 Ų237.2 Ų37.22%0.02121%0.205CC..Hα-helixtrans-59.7-41.8175.400000112.2T186 C191 R192 L193T186-G189 PolarHBondContact O-N 3.11Å; T186-G189 PolarHBondContact OG1-N 3.23Å; G189-C191 VanDerWaalsContact C-N 3.34Å; G189-C191 PolarHBondContact O-N 3.03Å; G189-R192 PolarHBondContact O-N 2.74Å; G189-R192 VanDerWaalsContact O-N 3.15Å; G189-L193 WeakPolarHBondContact O-CB 3.46Å; G189-L193 VanDerWaalsContact O-CG 3.3Å; G189-L193 WeakPolarHBondContact O-CG 3.42Å; G189-L193 PolarHBondContact O-N 3Å
190Q91.8Very high84.9Confident52 Ų5232.1 Ų32.124%0.24318%0.179CC..Hα-helixtrans-64.3-35.6173.4-67.4-179.1-5.800112.6A25 S184 T186 A188 R192 L193 A194 Y252A25-Q190 HydrophobicContact CB-CB 4.19Å; S184-Q190 WeakPolarHBondContact O-CG 3.28Å; S184-Q190 PolarHBondContact O-NE2 3.47Å; T186-Q190 WeakPolarHBondContact O-CB 3.4Å; T186-Q190 VanDerWaalsContact O-CG 3.26Å; T186-Q190 WeakPolarHBondContact O-CG 3.25Å; T186-Q190 PolarHBondContact O-N 2.94Å; A188-Q190 VanDerWaalsContact C-N 3.32Å; A188-Q190 PolarHBondContact O-N 2.75Å; Q190-R192 VanDerWaalsContact C-N 3.26Å; Q190-R192 PolarHBondContact O-N 3.19Å; Q190-L193 PolarHBondContact O-N 3.15Å; Q190-A194 WeakPolarHBondContact O-CB 3.28Å; Q190-A194 PolarHBondContact O-N 2.83Å; Q190-Y252 HydrophobicContact CB-CD2 4.13Å; Q190-Y252 HydrophobicContact CB-CE2 3.93Å; Q190-Y252 HydrophobicContact CG-CD2 3.53Å; Q190-Y252 HydrophobicContact CG-CE2 3.82Å; Q190-Y252 HydrophobicContact CG-CG 4.29Å
191C94.3Very high86.6Confident4 Ų431.3 Ų31.33%0.02717%0.172CC..Hα-helixtrans-62.8-32173.6-165.40000112.5E23 W64 A187 A188 G189E23-C191 HydrophobicContact CG-CB 4.21Å; W64-C191 PolarHBondContact NE1-O 3.17Å; A187-C191 WeakPolarHBondContact O-CB 3.35Å; A187-C191 PolarHBondContact O-N 2.91Å; A188-C191 WeakPolarHBondContact O-CA 3.36Å; A188-C191 VanDerWaalsContact O-CB 3.31Å; A188-C191 WeakPolarHBondContact O-CB 3.25Å; A188-C191 PolarHBondContact O-N 2.62Å; A188-C191 VanDerWaalsContact O-N 3.07Å; G189-C191 VanDerWaalsContact C-N 3.34Å; G189-C191 PolarHBondContact O-N 3.03Å
192R94.1Very high88.4Confident56 Ų5623.5 Ų23.521%0.21114%0.143CC..Hα-helixtrans-83.8-33175.6-60.9180-156.1173.16.8113E23 Y106 V173 S176 L177 A188 G189 Q190 P195E23-R192 IonicContact OE1-CZ 3.67Å; E23-R192 IonicContact OE1-NE 3.67Å; E23-R192 PolarHBondContact OE1-NE 2.76Å; E23-R192 VanDerWaalsContact OE1-NE 3.14Å; E23-R192 IonicContact OE1-NH2 3.49Å; E23-R192 PolarHBondContact OE1-NH2 3.39Å; E23-R192 IonicContact OE2-NH2 2.67Å; Y106-R192 HydrophobicContact CE1-CG 3.71Å; Y106-R192 WeakPolarHBondContact OH-CG 3.26Å; Y106-R192 PolarHBondContact OH-NE 3.17Å; V173-R192 HydrophobicContact CG1-CB 4.4Å; V173-R192 WeakPolarHBondContact CG1-O 3.27Å; S176-R192 PolarHBondContact O-NH1 3.48Å; S176-R192 VanDerWaalsContact O-NH1 3.17Å; L177-R192 HydrophobicContact CD2-CB 4.1Å; A188-R192 PolarHBondContact O-N 3.27Å; A188-R192 VanDerWaalsContact O-N 3.12Å; G189-R192 PolarHBondContact O-N 2.74Å; G189-R192 VanDerWaalsContact O-N 3.15Å; Q190-R192 VanDerWaalsContact C-N 3.26Å; Q190-R192 PolarHBondContact O-N 3.19Å; R192-P195 WeakPolarHBondContact O-CD 3.29Å
193L94.2Very high90.3Very high1 Ų120 Ų201%0.00512%0.119CC..Hα-helixtrans-80.8-30179.9-69.1171.9000114F174 L177 G189 Q190 P195 L196 L250 Y252 F253F174-L193 HydrophobicContact CE2-CD2 4.07Å; F174-L193 HydrophobicContact CZ-CD2 4.49Å; L177-L193 HydrophobicContact CD1-CD2 3.59Å; L177-L193 HydrophobicContact CD1-CG 3.93Å; G189-L193 WeakPolarHBondContact O-CB 3.46Å; G189-L193 VanDerWaalsContact O-CG 3.3Å; G189-L193 WeakPolarHBondContact O-CG 3.42Å; G189-L193 PolarHBondContact O-N 3Å; Q190-L193 PolarHBondContact O-N 3.15Å; L193-P195 VanDerWaalsContact C-CD 3.43Å; L193-L196 HydrophobicContact CD2-CD1 4.05Å; L193-L196 WeakPolarHBondContact O-CB 3.49Å; L193-L196 PolarHBondContact O-N 3.2Å; L193-L250 HydrophobicContact CD1-CD1 4.1Å; L193-L250 HydrophobicContact CD2-CD1 4.01Å; L193-Y252 HydrophobicContact CB-CD1 3.64Å; L193-Y252 HydrophobicContact CB-CE1 3.92Å; L193-Y252 HydrophobicContact CB-CG 4.38Å; L193-Y252 HydrophobicContact CD1-CD1 4.33Å; L193-Y252 HydrophobicContact CD1-CG 4.4Å; L193-F253 HydrophobicContact CB-CZ 3.98Å; L193-F253 HydrophobicContact CD2-CE2 4.02Å; L193-F253 HydrophobicContact CD2-CZ 3.99Å; L193-F253 HydrophobicContact CG-CZ 4.5Å
194A93.9Very high91.5Very high2 Ų218.8 Ų18.82%0.01711%0.111CC..THydrogen-bonded Turntrans-50.7-41.7-17700000115.2A25 Q190 L196 I197 Y252A25-A194 HydrophobicContact CB-CB 4.18Å; Q190-A194 WeakPolarHBondContact O-CB 3.28Å; Q190-A194 PolarHBondContact O-N 2.83Å; A194-L196 VanDerWaalsContact C-N 3.27Å; A194-L196 PolarHBondContact O-N 3.15Å; A194-I197 WeakPolarHBondContact O-CB 3.08Å; A194-I197 WeakPolarHBondContact O-CG1 3.26Å; A194-I197 PolarHBondContact O-N 2.9Å; A194-Y252 WeakPolarHBondContact CA-OH 3.31Å; A194-Y252 HydrophobicContact CB-CE1 4.46Å; A194-Y252 VanDerWaalsContact CB-OH 3.28Å; A194-Y252 WeakPolarHBondContact CB-OH 3.47Å
195P95.3Very high92.4Very high0 Ų020.5 Ų20.50%012%0.119CC..THydrogen-bonded Turntrans-67.9-25.4179.9-22.637.9000114W64 H68 Y113 R192 L193 I197 Q198 V199W64-P195 HydrophobicContact CH2-CG 4.43Å; W64-P195 HydrophobicContact CZ2-CB 4.23Å; W64-P195 HydrophobicContact CZ2-CG 3.59Å; H68-P195 HydrophobicContact CB-CB 4.29Å; H68-P195 HydrophobicContact CB-CG 3.86Å; Y113-P195 HydrophobicContact CE1-CB 3.57Å; Y113-P195 HydrophobicContact CE1-CG 4.09Å; R192-P195 WeakPolarHBondContact O-CD 3.29Å; L193-P195 VanDerWaalsContact C-CD 3.43Å; P195-I197 PolarHBondContact O-N 2.91Å; P195-I197 VanDerWaalsContact O-N 3.16Å; P195-Q198 WeakPolarHBondContact O-CB 3.44Å; P195-Q198 PolarHBondContact O-N 3.33Å; P195-V199 PolarHBondContact O-N 3.12Å
196L95.4Very high93.2Very high1 Ų116.7 Ų16.71%0.00510%0.095CC..Hα-helixtrans-65.9-16.7179.2-58.2-175.4000113.1F170 V173 F174 L193 A194 Q198 V199 I200 F253F170-L196 HydrophobicContact CB-CD2 4.36Å; F170-L196 HydrophobicContact CD2-CD1 4.12Å; V173-L196 HydrophobicContact CB-CD1 4.1Å; V173-L196 HydrophobicContact CB-CD2 4.1Å; V173-L196 HydrophobicContact CB-CG 4.4Å; V173-L196 HydrophobicContact CG1-CD1 3.66Å; V173-L196 HydrophobicContact CG1-CD2 4.34Å; V173-L196 HydrophobicContact CG1-CG 4.09Å; V173-L196 HydrophobicContact CG2-CD2 4.02Å; F174-L196 HydrophobicContact CD2-CD1 3.88Å; F174-L196 HydrophobicContact CE2-CD1 3.61Å; L193-L196 HydrophobicContact CD2-CD1 4.05Å; L193-L196 WeakPolarHBondContact O-CB 3.49Å; L193-L196 PolarHBondContact O-N 3.2Å; A194-L196 VanDerWaalsContact C-N 3.27Å; A194-L196 PolarHBondContact O-N 3.15Å; L196-Q198 PolarHBondContact O-N 3.28Å; L196-V199 HydrophobicContact CD2-CB 4.3Å; L196-V199 HydrophobicContact CD2-CG2 3.79Å; L196-V199 WeakPolarHBondContact O-CB 3.34Å; L196-V199 PolarHBondContact O-N 3.02Å; L196-I200 WeakPolarHBondContact O-CB 3.45Å; L196-I200 VanDerWaalsContact O-CD1 3.31Å; L196-I200 WeakPolarHBondContact O-CD1 3.47Å; L196-I200 WeakPolarHBondContact O-CG1 3.4Å; L196-I200 PolarHBondContact O-N 3.29Å; L196-F253 HydrophobicContact CB-CE1 4.21Å; L196-F253 HydrophobicContact CB-CZ 3.84Å; L196-F253 HydrophobicContact CD1-CZ 4.23Å
197I94.1Very high93.6Very high26 Ų2613.8 Ų13.813%0.1338%0.078CC..Hα-helixtrans-58.8-39169.2-60.9177.5000110.3A194 P195 L201 Y252 F253 L256 I257A194-I197 WeakPolarHBondContact O-CB 3.08Å; A194-I197 WeakPolarHBondContact O-CG1 3.26Å; A194-I197 PolarHBondContact O-N 2.9Å; P195-I197 PolarHBondContact O-N 2.91Å; P195-I197 VanDerWaalsContact O-N 3.16Å; I197-L201 HydrophobicContact CG2-CD1 4.06Å; I197-L201 WeakPolarHBondContact O-CB 3.42Å; I197-L201 WeakPolarHBondContact O-CD1 3.39Å; I197-L201 WeakPolarHBondContact O-CG 3.5Å; I197-L201 PolarHBondContact O-N 3.32Å; I197-Y252 HydrophobicContact CD1-CE1 4.13Å; I197-F253 HydrophobicContact CG1-CD1 3.98Å; I197-F253 HydrophobicContact CG1-CE1 3.84Å; I197-L256 HydrophobicContact CD1-CB 4.39Å; I197-L256 HydrophobicContact CD1-CD1 3.88Å; I197-I257 HydrophobicContact CG1-CD1 4.35Å; I197-I257 HydrophobicContact CG2-CD1 4.4Å; I197-I257 HydrophobicContact CG2-CG2 4.11Å
198Q94.8Very high93.9Very high4 Ų411.9 Ų11.92%0.0196%0.061CC..Hα-helixtrans-72.4-42.2177-56.8-63.2-8000111.3K72 P195 L196 I200 L201 D202K72-Q198 HydrophobicContact CG-CG 4.19Å; P195-Q198 WeakPolarHBondContact O-CB 3.44Å; P195-Q198 PolarHBondContact O-N 3.33Å; L196-Q198 PolarHBondContact O-N 3.28Å; Q198-I200 PolarHBondContact O-N 3.46Å; Q198-L201 PolarHBondContact O-N 3.35Å; Q198-D202 PolarHBondContact O-N 2.89Å
199V96.2Very high94.2Very high1 Ų110.7 Ų10.71%0.0065%0.05CC..Hα-helixtrans-54.8-51.3175-178.90000110.6E166 L169 F170 P195 L196 L201 D202 C203 L243E166-V199 HydrophobicContact CB-CG1 3.99Å; E166-V199 WeakPolarHBondContact O-CG1 3.5Å; E166-V199 WeakPolarHBondContact OE2-CA 3.2Å; E166-V199 WeakPolarHBondContact OE2-CB 3.33Å; E166-V199 WeakPolarHBondContact OE2-CG1 3.35Å; E166-V199 VanDerWaalsContact OE2-CG2 3.31Å; E166-V199 WeakPolarHBondContact OE2-CG2 3.33Å; L169-V199 HydrophobicContact CD2-CG2 4Å; F170-V199 HydrophobicContact CB-CG1 4.33Å; P195-V199 PolarHBondContact O-N 3.12Å; L196-V199 HydrophobicContact CD2-CB 4.3Å; L196-V199 HydrophobicContact CD2-CG2 3.79Å; L196-V199 WeakPolarHBondContact O-CB 3.34Å; L196-V199 PolarHBondContact O-N 3.02Å; V199-L201 VanDerWaalsContact C-N 3.33Å; V199-L201 PolarHBondContact O-N 3.14Å; V199-D202 PolarHBondContact O-N 2.79Å; V199-C203 VanDerWaalsContact O-CB 3.25Å; V199-C203 WeakPolarHBondContact O-CB 3.49Å; V199-C203 PolarHBondContact O-N 3.32Å; V199-C203 PolarHBondContact O-SG 3.24Å; V199-L243 HydrophobicContact CG1-CD1 4.21Å
200I95.4Very high94.4Very high0 Ų010.7 Ų10.70%05%0.05CC..Hα-helixtrans-59.4-42.8178.5-69.7158.6000111.4L196 Q198 S204 L243 F244 F253 I257 I259 V283L196-I200 WeakPolarHBondContact O-CB 3.45Å; L196-I200 VanDerWaalsContact O-CD1 3.31Å; L196-I200 WeakPolarHBondContact O-CD1 3.47Å; L196-I200 WeakPolarHBondContact O-CG1 3.4Å; L196-I200 PolarHBondContact O-N 3.29Å; Q198-I200 PolarHBondContact O-N 3.46Å; I200-S204 PolarHBondContact O-N 3.3Å; I200-S204 VanDerWaalsContact O-N 3.1Å; I200-L243 HydrophobicContact CG1-CD2 3.66Å; I200-F244 HydrophobicContact CG2-CE1 4.13Å; I200-F253 HydrophobicContact CD1-CD1 4.31Å; I200-F253 HydrophobicContact CD1-CE1 4.22Å; I200-F253 HydrophobicContact CD1-CZ 4.44Å; I200-I257 HydrophobicContact CB-CD1 4.47Å; I200-I257 HydrophobicContact CD1-CD1 3.85Å; I200-I257 HydrophobicContact CG2-CD1 4.15Å; I200-I259 HydrophobicContact CD1-CD1 3.8Å; I200-I259 HydrophobicContact CG2-CG1 4.28Å; I200-I259 HydrophobicContact CG2-CG2 4.44Å; I200-V283 HydrophobicContact CG2-CG1 4.29Å; I200-V283 HydrophobicContact CG2-CG2 3.79Å
201L93.9Very high94.5Very high22 Ų228.2 Ų8.212%0.1154%0.038CC..Hα-helixtrans-71.4-30.1-179.9-72.4167.2000113.8R75 I197 Q198 V199 H205 V283R75-L201 PolarHBondContact NH2-O 3.13Å; I197-L201 HydrophobicContact CG2-CD1 4.06Å; I197-L201 WeakPolarHBondContact O-CB 3.42Å; I197-L201 WeakPolarHBondContact O-CD1 3.39Å; I197-L201 WeakPolarHBondContact O-CG 3.5Å; I197-L201 PolarHBondContact O-N 3.32Å; Q198-L201 PolarHBondContact O-N 3.35Å; V199-L201 VanDerWaalsContact C-N 3.33Å; V199-L201 PolarHBondContact O-N 3.14Å; L201-H205 PolarHBondContact O-CD2 3.48Å; L201-H205 VanDerWaalsContact O-CD2 3.28Å; L201-V283 HydrophobicContact CD2-CB 3.86Å; L201-V283 HydrophobicContact CD2-CG1 3.69Å; L201-V283 HydrophobicContact CG-CG1 4.44Å
202D95.3Very high94.4Very high0 Ų010 Ų100%05%0.046CC..Hα-helixtrans-80.6-42.8172-81-18.8000111.6H71 R75 K120 L134 Y162 Q198 V199 S204 H205 L206H71-D202 IonicContact CE1-OD2 3.13Å; H71-D202 IonicContact NE2-OD2 3.72Å; H71-D202 PolarHBondContact NE2-OD2 3.42Å; R75-D202 IonicContact CZ-OD1 2.76Å; R75-D202 VanDerWaalsContact CZ-OD1 3.26Å; R75-D202 IonicContact NH1-OD1 3.23Å; R75-D202 PolarHBondContact NH1-OD1 3.37Å; R75-D202 IonicContact NH1-OD2 2.69Å; R75-D202 IonicContact NH2-OD1 2.71Å; R75-D202 PolarHBondContact NH2-OD1 3.26Å; K120-D202 IonicContact NZ-OD1 2.75Å; K120-D202 IonicContact NZ-OD2 3.98Å; K120-D202 PolarHBondContact NZ-OD2 2.8Å; L134-D202 HydrophobicContact CD1-CB 4.08Å; L134-D202 WeakPolarHBondContact CD1-OD1 3.34Å; Y162-D202 VanDerWaalsContact OH-CG 3.29Å; Y162-D202 PolarHBondContact OH-OD2 3.43Å; Q198-D202 PolarHBondContact O-N 2.89Å; V199-D202 PolarHBondContact O-N 2.79Å; D202-S204 VanDerWaalsContact C-N 3.27Å; D202-S204 PolarHBondContact O-N 3.26Å; D202-H205 PolarHBondContact O-N 3.45Å; D202-L206 HydrophobicContact CB-CD1 4.47Å; D202-L206 WeakPolarHBondContact O-CB 3.24Å; D202-L206 WeakPolarHBondContact O-CG 3.49Å; D202-L206 PolarHBondContact O-N 3.32Å
203C95.7Very high94.3Very high0 Ų07.4 Ų7.40%04%0.036CC..Hα-helixtrans-54.2-39.7174.7-76.80000113.3L163 V199 Y207 L240 F244L163-C203 HydrophobicContact CD1-CB 4.08Å; L163-C203 VanDerWaalsContact CD1-SG 3.55Å; V199-C203 VanDerWaalsContact O-CB 3.25Å; V199-C203 WeakPolarHBondContact O-CB 3.49Å; V199-C203 PolarHBondContact O-N 3.32Å; V199-C203 PolarHBondContact O-SG 3.24Å; C203-Y207 VanDerWaalsContact O-CB 3.27Å; C203-Y207 WeakPolarHBondContact O-CB 3.33Å; C203-Y207 PolarHBondContact O-N 3.46Å; C203-L240 HydrophobicContact CB-CD1 3.63Å; C203-F244 HydrophobicContact CB-CE1 4.39Å
204S93.9Very high94.3Very high3 Ų37.4 Ų7.42%0.0214%0.036CC..Hα-helixtrans-59.4-46.5177.7-114.90000112.7I200 D202 D208 P281 V283I200-S204 PolarHBondContact O-N 3.3Å; I200-S204 VanDerWaalsContact O-N 3.1Å; D202-S204 VanDerWaalsContact C-N 3.27Å; D202-S204 PolarHBondContact O-N 3.26Å; S204-D208 PolarHBondContact O-N 2.89Å; S204-P281 WeakPolarHBondContact CB-O 3.08Å; S204-P281 PolarHBondContact OG-O 3.08Å; S204-V283 WeakPolarHBondContact OG-CG2 3.49Å
205H93.9Very high94.3Very high38 Ų387.9 Ų7.918%0.1764%0.038CC..Hα-helixtrans-74.8-41179.4-68.3-56.6000112.1L134 L201 D202 Y207 D208 Y209L134-H205 HydrophobicContact CB-CB 3.84Å; L201-H205 PolarHBondContact O-CD2 3.48Å; L201-H205 VanDerWaalsContact O-CD2 3.28Å; D202-H205 PolarHBondContact O-N 3.45Å; H205-Y207 VanDerWaalsContact C-N 3.29Å; H205-Y207 PolarHBondContact O-N 3.03Å; H205-D208 PolarHBondContact O-N 3.18Å; H205-Y209 HydrophobicContact CB-CE2 3.97Å; H205-Y209 VanDerWaalsContact O-CD2 3.24Å; H205-Y209 WeakPolarHBondContact O-CD2 3.38Å; H205-Y209 PolarHBondContact O-N 2.98Å
206L94.8Very high94Very high0 Ų010.5 Ų10.50%05%0.049CC..Hα-helixtrans-61.1-37.3176.1-68.9170.8000112L134 M159 Y162 L163 E166 D202 T210L134-L206 HydrophobicContact CD1-CD1 4.36Å; L134-L206 HydrophobicContact CD1-CD2 3.9Å; L134-L206 HydrophobicContact CD1-CG 3.8Å; M159-L206 HydrophobicContact CB-CD2 4.31Å; M159-L206 HydrophobicContact CG-CD2 4.12Å; Y162-L206 HydrophobicContact CD1-CD1 4.09Å; Y162-L206 HydrophobicContact CD1-CD2 3.94Å; Y162-L206 HydrophobicContact CD2-CD1 4.24Å; Y162-L206 HydrophobicContact CE1-CD1 4.23Å; Y162-L206 HydrophobicContact CE1-CD2 4.28Å; Y162-L206 HydrophobicContact CE2-CD1 4.32Å; Y162-L206 HydrophobicContact CG-CD1 4.04Å; Y162-L206 HydrophobicContact CG-CD2 4.5Å; L163-L206 HydrophobicContact CB-CB 4.28Å; L163-L206 HydrophobicContact CB-CD1 4.11Å; L163-L206 HydrophobicContact CD1-CB 4.31Å; L163-L206 HydrophobicContact CD1-CD1 4.43Å; L163-L206 HydrophobicContact CD2-CB 4.39Å; E166-L206 HydrophobicContact CG-CD1 4.42Å; D202-L206 HydrophobicContact CB-CD1 4.47Å; D202-L206 WeakPolarHBondContact O-CB 3.24Å; D202-L206 WeakPolarHBondContact O-CG 3.49Å; D202-L206 PolarHBondContact O-N 3.32Å; L206-T210 WeakPolarHBondContact O-CB 3.42Å; L206-T210 VanDerWaalsContact O-CG2 3.32Å; L206-T210 WeakPolarHBondContact O-CG2 3.46Å; L206-T210 PolarHBondContact O-N 2.74Å; L206-T210 PolarHBondContact O-OG1 2.82Å
207Y94.4Very high93.9Very high3 Ų310.5 Ų10.51%0.0125%0.049CC..Hα-helixtrans-66-50.4173.7175.6-102000112.5C203 H205 Y209 T210 V211 F233 F237 L240 L262 H278 P281C203-Y207 VanDerWaalsContact O-CB 3.27Å; C203-Y207 WeakPolarHBondContact O-CB 3.33Å; C203-Y207 PolarHBondContact O-N 3.46Å; H205-Y207 VanDerWaalsContact C-N 3.29Å; H205-Y207 PolarHBondContact O-N 3.03Å; Y207-Y209 VanDerWaalsContact C-N 3.3Å; Y207-Y209 PolarHBondContact O-N 3.19Å; Y207-T210 WeakPolarHBondContact CA-OG1 3.36Å; Y207-T210 PolarHBondContact O-N 3.2Å; Y207-T210 PolarHBondContact O-OG1 2.8Å; Y207-T210 VanDerWaalsContact O-OG1 3.08Å; Y207-V211 HydrophobicContact CD2-CG2 4.29Å; Y207-V211 HydrophobicContact CE1-CG2 4.13Å; Y207-V211 HydrophobicContact CE2-CG2 3.84Å; Y207-V211 WeakPolarHBondContact O-CG2 3.34Å; Y207-V211 PolarHBondContact O-N 2.8Å; Y207-F233 HydrophobicContact CD2-CE2 4.17Å; Y207-F233 HydrophobicContact CD2-CZ 4.34Å; Y207-F233 AromaticContact CE2-CE2 3.86Å; Y207-F233 HydrophobicContact CE2-CE2 3.86Å; Y207-F233 AromaticContact CE2-CZ 3.59Å; Y207-F233 HydrophobicContact CE2-CZ 3.59Å; Y207-F237 AromaticContact CE2-CD2 3.67Å; Y207-F237 HydrophobicContact CE2-CD2 3.67Å; Y207-F237 HydrophobicContact CE2-CE2 4.21Å; Y207-L240 HydrophobicContact CD2-CD2 3.71Å; Y207-L240 HydrophobicContact CG-CD2 3.75Å; Y207-L262 HydrophobicContact CD1-CD2 4.05Å; Y207-L262 HydrophobicContact CE1-CD2 3.68Å; Y207-H278 AromaticContact CE1-CE1 3.8Å; Y207-P281 HydrophobicContact CD1-CG 3.72Å; Y207-P281 HydrophobicContact CE1-CG 4.34Å
208D93.1Very high93.8Very high6 Ų610.7 Ų10.73%0.0325%0.049CC..Hα-helixtrans-58.9-43-179.5-170.937.5000111.9S204 H205 K212 H278 S280S204-D208 PolarHBondContact O-N 2.89Å; H205-D208 PolarHBondContact O-N 3.18Å; D208-K212 WeakPolarHBondContact O-CD 3.46Å; D208-K212 VanDerWaalsContact O-CG 3.29Å; D208-K212 WeakPolarHBondContact O-CG 3.36Å; D208-K212 PolarHBondContact O-N 3.33Å; D208-K212 VanDerWaalsContact O-N 3.1Å; D208-K212 WeakPolarHBondContact OD1-CE 3.3Å; D208-K212 IonicContact OD1-NZ 3.35Å; D208-K212 PolarHBondContact OD1-NZ 3.23Å; D208-K212 WeakPolarHBondContact OD2-CE 3.46Å; D208-K212 IonicContact OD2-NZ 2.7Å; D208-K212 PolarHBondContact OD2-NZ 3.45Å; D208-H278 IonicContact OD1-CD2 3.67Å; D208-H278 IonicContact OD1-CE1 2.72Å; D208-H278 IonicContact OD1-NE2 3.83Å; D208-H278 PolarHBondContact OD1-NE2 3.2Å; D208-S280 WeakPolarHBondContact OD1-CB 3.31Å; D208-S280 PolarHBondContact OD1-OG 3.22Å; D208-S280 WeakPolarHBondContact OD2-CB 3.33Å; D208-S280 PolarHBondContact OD2-OG 2.97Å
209Y94.1Very high93.6Very high4 Ų415 Ų152%0.0168%0.079CC..Hα-helixtrans-72.7-39.3178.5-56.2-25.7000113F130 L134 M136 L141 M159 H205 Y207 V211 K212 L213F130-Y209 HydrophobicContact CE1-CD2 4.14Å; F130-Y209 HydrophobicContact CE1-CE2 4.33Å; L134-Y209 HydrophobicContact CB-CE2 4.49Å; L134-Y209 WeakPolarHBondContact O-CE2 3.35Å; L134-Y209 VanDerWaalsContact O-CZ 3.31Å; L134-Y209 PolarHBondContact O-OH 3.41Å; M136-Y209 PolarHBondContact N-OH 2.8Å; M136-Y209 VanDerWaalsContact N-OH 3.07Å; M136-Y209 PolarHBondContact O-OH 3.46Å; L141-Y209 HydrophobicContact CD1-CD1 4.4Å; L141-Y209 HydrophobicContact CD1-CG 4.13Å; L141-Y209 HydrophobicContact CD2-CD1 3.69Å; L141-Y209 HydrophobicContact CD2-CE1 4.48Å; L141-Y209 HydrophobicContact CD2-CG 4.09Å; M159-Y209 HydrophobicContact CE-CD2 3.98Å; M159-Y209 HydrophobicContact CE-CG 4.27Å; H205-Y209 HydrophobicContact CB-CE2 3.97Å; H205-Y209 VanDerWaalsContact O-CD2 3.24Å; H205-Y209 WeakPolarHBondContact O-CD2 3.38Å; H205-Y209 PolarHBondContact O-N 2.98Å; Y207-Y209 VanDerWaalsContact C-N 3.3Å; Y207-Y209 PolarHBondContact O-N 3.19Å; Y209-V211 VanDerWaalsContact C-N 3.34Å; Y209-V211 PolarHBondContact O-N 2.91Å; Y209-K212 PolarHBondContact O-N 2.68Å; Y209-L213 VanDerWaalsContact O-CB 3.29Å; Y209-L213 WeakPolarHBondContact O-CB 3.42Å; Y209-L213 WeakPolarHBondContact O-CG 3.14Å; Y209-L213 PolarHBondContact O-N 2.74Å
210T94.1Very high93.2Very high1 Ų118.3 Ų18.31%0.00610%0.102CC..Hα-helixtrans-63.8-38.6174.846.90000111.7M159 F160 L206 Y207 L214M159-T210 HydrophobicContact CB-CG2 3.61Å; M159-T210 HydrophobicContact SD-CG2 4.14Å; F160-T210 HydrophobicContact CD1-CG2 4.05Å; F160-T210 HydrophobicContact CE1-CG2 4.08Å; L206-T210 WeakPolarHBondContact O-CB 3.42Å; L206-T210 VanDerWaalsContact O-CG2 3.32Å; L206-T210 WeakPolarHBondContact O-CG2 3.46Å; L206-T210 PolarHBondContact O-N 2.74Å; L206-T210 PolarHBondContact O-OG1 2.82Å; Y207-T210 WeakPolarHBondContact CA-OG1 3.36Å; Y207-T210 PolarHBondContact O-N 3.2Å; Y207-T210 PolarHBondContact O-OG1 2.8Å; Y207-T210 VanDerWaalsContact O-OG1 3.08Å; T210-L214 VanDerWaalsContact O-CB 3.29Å; T210-L214 WeakPolarHBondContact O-CB 3.47Å; T210-L214 WeakPolarHBondContact O-CD1 3.16Å; T210-L214 WeakPolarHBondContact O-CG 3.26Å; T210-L214 PolarHBondContact O-N 2.84Å
211V93.5Very high92.9Very high0 Ų020.4 Ų20.40%011%0.113CC..Hα-helixtrans-59.2-52.7172.1173.30000111.1Y207 Y209 L213 L214 F215 F233 P267 F269 H278Y207-V211 HydrophobicContact CD2-CG2 4.29Å; Y207-V211 HydrophobicContact CE1-CG2 4.13Å; Y207-V211 HydrophobicContact CE2-CG2 3.84Å; Y207-V211 WeakPolarHBondContact O-CG2 3.34Å; Y207-V211 PolarHBondContact O-N 2.8Å; Y209-V211 VanDerWaalsContact C-N 3.34Å; Y209-V211 PolarHBondContact O-N 2.91Å; V211-L213 PolarHBondContact O-N 2.73Å; V211-L214 PolarHBondContact O-N 3.16Å; V211-F215 HydrophobicContact CG1-CD2 3.83Å; V211-F215 HydrophobicContact CG1-CE2 3.75Å; V211-F215 WeakPolarHBondContact O-CD2 3.27Å; V211-F215 PolarHBondContact O-N 2.9Å; V211-F215 VanDerWaalsContact O-N 3.09Å; V211-F233 HydrophobicContact CG2-CE2 3.63Å; V211-F233 HydrophobicContact CG2-CZ 3.67Å; V211-P267 HydrophobicContact CG1-CB 4.38Å; V211-P267 HydrophobicContact CG1-CG 4.1Å; V211-P267 HydrophobicContact CG2-CG 4.18Å; V211-F269 HydrophobicContact CG1-CE1 4.22Å; V211-H278 HydrophobicContact CG1-CB 4.44Å
212K92.5Very high92.5Very high43 Ų4323.1 Ų23.119%0.18713%0.132CC..Hα-helixtrans-59.9-44.5-179.2-72.3166.4177.7175.50112.4D138 L141 D208 Y209 K216 L275D138-K212 WeakPolarHBondContact OD1-CD 3.37Å; D138-K212 WeakPolarHBondContact OD1-CE 3.25Å; D138-K212 IonicContact OD1-NZ 2.61Å; D138-K212 PolarHBondContact OD1-NZ 2.86Å; D138-K212 IonicContact OD2-NZ 2.64Å; L141-K212 HydrophobicContact CD2-CB 4.15Å; L141-K212 HydrophobicContact CD2-CD 4.27Å; D208-K212 WeakPolarHBondContact O-CD 3.46Å; D208-K212 VanDerWaalsContact O-CG 3.29Å; D208-K212 WeakPolarHBondContact O-CG 3.36Å; D208-K212 PolarHBondContact O-N 3.33Å; D208-K212 VanDerWaalsContact O-N 3.1Å; D208-K212 WeakPolarHBondContact OD1-CE 3.3Å; D208-K212 IonicContact OD1-NZ 3.35Å; D208-K212 PolarHBondContact OD1-NZ 3.23Å; D208-K212 WeakPolarHBondContact OD2-CE 3.46Å; D208-K212 IonicContact OD2-NZ 2.7Å; D208-K212 PolarHBondContact OD2-NZ 3.45Å; Y209-K212 PolarHBondContact O-N 2.68Å; K212-K216 PolarHBondContact O-N 2.74Å; K212-L275 HydrophobicContact CG-CD1 4.48Å
213L92.6Very high92Very high1 Ų124.8 Ų24.81%0.00515%0.146CC..Hα-helixtrans-67.1-38.5177.9-69.9174.9000112.5L141 F152 L155 T156 M159 Y209 V211 K216 L217L141-L213 HydrophobicContact CD1-CD1 4.49Å; L141-L213 HydrophobicContact CD1-CD2 4.43Å; L141-L213 HydrophobicContact CG-CD2 4.44Å; F152-L213 HydrophobicContact CD1-CD2 3.6Å; F152-L213 HydrophobicContact CE1-CD2 4.33Å; F152-L213 HydrophobicContact CG-CD2 4.46Å; L155-L213 HydrophobicContact CD2-CD1 3.97Å; L155-L213 HydrophobicContact CD2-CD2 4.34Å; L155-L213 HydrophobicContact CG-CD1 3.97Å; T156-L213 WeakPolarHBondContact OG1-CB 3.3Å; M159-L213 HydrophobicContact CE-CD1 3.87Å; M159-L213 HydrophobicContact SD-CD1 3.6Å; Y209-L213 VanDerWaalsContact O-CB 3.29Å; Y209-L213 WeakPolarHBondContact O-CB 3.42Å; Y209-L213 WeakPolarHBondContact O-CG 3.14Å; Y209-L213 PolarHBondContact O-N 2.74Å; V211-L213 PolarHBondContact O-N 2.73Å; L213-K216 PolarHBondContact O-N 3.2Å; L213-L217 WeakPolarHBondContact O-CB 3.49Å; L213-L217 WeakPolarHBondContact O-CG 3.32Å; L213-L217 PolarHBondContact O-N 3.22Å
214L93.4Very high91.5Very high0 Ų031.3 Ų31.30%018%0.181CC..Hα-helixtrans-65.4-42.9176.7-74.1167.3000112.1T156 F160 T210 V211 K216 L217 H218 H229 F233 F269T156-L214 HydrophobicContact CG2-CD2 4.06Å; T156-L214 HydrophobicContact CG2-CG 4.24Å; F160-L214 HydrophobicContact CZ-CD1 4.06Å; F160-L214 HydrophobicContact CZ-CD2 4.21Å; T210-L214 VanDerWaalsContact O-CB 3.29Å; T210-L214 WeakPolarHBondContact O-CB 3.47Å; T210-L214 WeakPolarHBondContact O-CD1 3.16Å; T210-L214 WeakPolarHBondContact O-CG 3.26Å; T210-L214 PolarHBondContact O-N 2.84Å; V211-L214 PolarHBondContact O-N 3.16Å; L214-K216 VanDerWaalsContact C-N 3.31Å; L214-K216 PolarHBondContact O-N 3.28Å; L214-L217 PolarHBondContact O-N 3.05Å; L214-H218 WeakPolarHBondContact O-CB 3.5Å; L214-H218 PolarHBondContact O-CD2 3Å; L214-H218 PolarHBondContact O-N 3.49Å; L214-H229 HydrophobicContact CD2-CB 3.79Å; L214-F233 HydrophobicContact CD1-CB 3.81Å; L214-F233 HydrophobicContact CD1-CD2 3.41Å; L214-F233 VanDerWaalsContact CD1-CD2 3.41Å; L214-F233 HydrophobicContact CD1-CE2 4.15Å; L214-F233 HydrophobicContact CD1-CG 3.7Å; L214-F269 HydrophobicContact CB-CD1 3.65Å; L214-F269 HydrophobicContact CB-CE1 3.49Å; L214-F269 VanDerWaalsContact CB-CE1 3.49Å; L214-F269 HydrophobicContact CB-CG 4.28Å; L214-F269 HydrophobicContact CB-CZ 4Å; L214-F269 HydrophobicContact CD1-CE1 3.91Å; L214-F269 HydrophobicContact CD1-CE2 3.94Å; L214-F269 HydrophobicContact CD1-CZ 3.51Å; L214-F269 HydrophobicContact CG-CE1 4.36Å; L214-F269 HydrophobicContact CG-CZ 4.42Å
215F93.2Very high91.3Very high13 Ų1334.9 Ų34.96%0.05720%0.203CC..Hα-helixtrans-61-40.7171.7-83-72.2000111.8V211 H218 S219 P267 F269 A274 L275V211-F215 HydrophobicContact CG1-CD2 3.83Å; V211-F215 HydrophobicContact CG1-CE2 3.75Å; V211-F215 WeakPolarHBondContact O-CD2 3.27Å; V211-F215 PolarHBondContact O-N 2.9Å; V211-F215 VanDerWaalsContact O-N 3.09Å; F215-H218 PolarHBondContact O-N 3.33Å; F215-S219 PolarHBondContact O-N 3.31Å; F215-P267 HydrophobicContact CE2-CB 3.85Å; F215-P267 HydrophobicContact CZ-CB 4Å; F215-F269 HydrophobicContact CD1-CD1 4.2Å; F215-F269 AromaticContact CD2-CD1 3.72Å; F215-F269 HydrophobicContact CD2-CD1 3.72Å; F215-F269 AromaticContact CD2-CE1 3.89Å; F215-F269 HydrophobicContact CD2-CE1 3.89Å; F215-F269 HydrophobicContact CE1-CD1 4.21Å; F215-F269 AromaticContact CE2-CD1 3.73Å; F215-F269 HydrophobicContact CE2-CD1 3.73Å; F215-F269 AromaticContact CE2-CE1 3.85Å; F215-F269 HydrophobicContact CE2-CE1 3.85Å; F215-F269 AromaticContact CG-CD1 3.96Å; F215-F269 HydrophobicContact CG-CD1 3.96Å; F215-F269 AromaticContact CZ-CD1 3.98Å; F215-F269 HydrophobicContact CZ-CD1 3.98Å; F215-F269 HydrophobicContact CZ-CE1 4.46Å; F215-A274 HydrophobicContact CE1-CB 4.24Å; F215-A274 HydrophobicContact CZ-CB 3.85Å; F215-L275 HydrophobicContact CB-CD1 4.39Å; F215-L275 HydrophobicContact CB-CD2 4.08Å; F215-L275 HydrophobicContact CD1-CB 4Å; F215-L275 HydrophobicContact CD2-CB 3.89Å; F215-L275 HydrophobicContact CD2-CD1 3.69Å; F215-L275 HydrophobicContact CD2-CG 4.26Å; F215-L275 HydrophobicContact CE1-CB 4.1Å; F215-L275 HydrophobicContact CE2-CB 4Å; F215-L275 HydrophobicContact CE2-CD1 4.22Å; F215-L275 HydrophobicContact CG-CB 3.89Å; F215-L275 HydrophobicContact CG-CD1 4.18Å; F215-L275 HydrophobicContact CG-CD2 4.35Å; F215-L275 HydrophobicContact CG-CG 4.36Å; F215-L275 HydrophobicContact CZ-CB 4.12Å
216K90.4Very high91.3Very high54 Ų5433.1 Ų33.124%0.23519%0.194CC..Hα-helixtrans-63.7-44.9176.4-166.7170-169.5170.90112.1D142 F152 K212 L213 L214 H218 S219 C220D142-K216 IonicContact OD1-NZ 2.66Å; D142-K216 PolarHBondContact OD1-NZ 2.91Å; D142-K216 IonicContact OD2-NZ 2.68Å; F152-K216 HydrophobicContact CD1-CD 4.2Å; F152-K216 HydrophobicContact CD2-CD 4.31Å; F152-K216 HydrophobicContact CE1-CD 3.97Å; F152-K216 HydrophobicContact CE2-CD 4.12Å; F152-K216 HydrophobicContact CG-CD 4.38Å; F152-K216 HydrophobicContact CZ-CD 3.98Å; K212-K216 PolarHBondContact O-N 2.74Å; L213-K216 PolarHBondContact O-N 3.2Å; L214-K216 VanDerWaalsContact C-N 3.31Å; L214-K216 PolarHBondContact O-N 3.28Å; K216-H218 PolarHBondContact O-N 3.3Å; K216-S219 WeakPolarHBondContact O-CB 3.43Å; K216-S219 PolarHBondContact O-N 3.12Å; K216-S219 VanDerWaalsContact O-N 3.13Å; K216-S219 PolarHBondContact O-OG 3.06Å; K216-C220 PolarHBondContact O-N 3.3Å
217L92.7Very high91Very high1 Ų136.9 Ų36.91%0.00521%0.212CC..Hα-helixtrans-61.8-43174.6-72.6171.1000111.7V149 F152 F153 T156 L213 L214 S219 C220 L221 L226V149-L217 HydrophobicContact CG1-CD2 4.14Å; F152-L217 HydrophobicContact CB-CD2 3.9Å; F152-L217 HydrophobicContact CB-CG 4.37Å; F153-L217 HydrophobicContact CB-CD2 4.05Å; T156-L217 HydrophobicContact CG2-CD1 4.38Å; T156-L217 WeakPolarHBondContact OG1-CD1 3.48Å; L213-L217 WeakPolarHBondContact O-CB 3.49Å; L213-L217 WeakPolarHBondContact O-CG 3.32Å; L213-L217 PolarHBondContact O-N 3.22Å; L214-L217 PolarHBondContact O-N 3.05Å; L217-S219 PolarHBondContact O-N 2.92Å; L217-C220 CarbonylContact O-C 3.58Å; L217-C220 PolarHBondContact O-N 2.97Å; L217-L221 HydrophobicContact CD2-CD1 4.09Å; L217-L221 PolarHBondContact O-N 3.2Å; L217-L226 VanDerWaalsContact C-CD1 3.47Å; L217-L226 HydrophobicContact CB-CD1 3.72Å; L217-L226 HydrophobicContact CB-CD2 4.04Å; L217-L226 HydrophobicContact CD1-CD2 4.26Å
218H92.1Very high90.7Very high31 Ų3138.7 Ų38.714%0.14423%0.231CC..Hα-helixtrans-65-19.9175.2-90.7-77.9000113.9L214 F215 K216 C220 L226 R230L214-H218 WeakPolarHBondContact O-CB 3.5Å; L214-H218 PolarHBondContact O-CD2 3Å; L214-H218 PolarHBondContact O-N 3.49Å; F215-H218 PolarHBondContact O-N 3.33Å; K216-H218 PolarHBondContact O-N 3.3Å; H218-C220 VanDerWaalsContact C-N 3.34Å; H218-L226 HydrophobicContact CB-CD1 4.27Å; H218-R230 WeakPolarHBondContact NE2-CD 3.46Å
219S89.6Confident90.8Very high93 Ų9339.1 Ų39.165%0.6523%0.233SC*.THydrogen-bonded Turntrans-79.8-13.4170.179.40000114.1F215 K216 L217F215-S219 PolarHBondContact O-N 3.31Å; K216-S219 WeakPolarHBondContact O-CB 3.43Å; K216-S219 PolarHBondContact O-N 3.12Å; K216-S219 VanDerWaalsContact O-N 3.13Å; K216-S219 PolarHBondContact O-OG 3.06Å; L217-S219 PolarHBondContact O-N 2.92Å
220C88.7Confident90.7Very high71 Ų7141 Ų4148%0.4824%0.24SC..THydrogen-bonded Turntrans-120.8-16.4-174.3-61.30000114.8V149 K216 L217 H218V149-C220 HydrophobicContact CG1-CB 4.15Å; V149-C220 HydrophobicContact CG2-CB 3.75Å; K216-C220 PolarHBondContact O-N 3.3Å; L217-C220 CarbonylContact O-C 3.58Å; L217-C220 PolarHBondContact O-N 2.97Å; H218-C220 VanDerWaalsContact C-N 3.34Å
221L90Very high90.6Very high45 Ų4545 Ų4524%0.23626%0.262CS..SBendtrans-132.6150-174.2-66174.5000112.2V149 F153 L217 L226V149-L221 HydrophobicContact CG1-CD1 3.73Å; V149-L221 HydrophobicContact CG1-CD2 3.86Å; V149-L221 HydrophobicContact CG1-CG 3.67Å; F153-L221 HydrophobicContact CD2-CD1 4.11Å; L217-L221 HydrophobicContact CD2-CD1 4.09Å; L217-L221 PolarHBondContact O-N 3.2Å; L221-L226 HydrophobicContact CB-CD1 4.07Å; L221-L226 HydrophobicContact CB-CG 4.26Å; L221-L226 HydrophobicContact CD1-CD2 4.05Å; L221-L226 HydrophobicContact CD1-CG 4.42Å
222P85.4Confident90.7Very high79 Ų7948 Ų4851%0.51327%0.273SS..  trans-57.7146.1172.6-23.234.1000112.8D224 T225P222-D224 PolarHBondContact O-N 3.45Å; P222-T225 WeakPolarHBondContact O-CB 3.43Å; P222-T225 PolarHBondContact O-N 3.05Å; P222-T225 VanDerWaalsContact O-N 3.12Å
223A83.8Confident90.8Very high35 Ų3546.2 Ų46.229%0.28927%0.265SS..THydrogen-bonded Turntrans-57.1-36.5-179.600000112.9T225 L226 Q227 R230 L270A223-T225 PolarHBondContact O-N 3.47Å; A223-L226 CarbonylContact O-C 3.52Å; A223-L226 PolarHBondContact O-N 3.13Å; A223-L226 VanDerWaalsContact O-N 3.14Å; A223-Q227 PolarHBondContact O-N 3.04Å; A223-R230 PolarHBondContact O-NH2 2.72Å; A223-L270 HydrophobicContact CB-CD2 3.76Å
224D85.9Confident90.8Very high137 Ų13750.7 Ų50.773%0.73329%0.287SS*.G310 helixtrans-62.5-40.9178.8-54.8-38.7000112.2P222 L226 Q227P222-D224 PolarHBondContact O-N 3.45Å; D224-L226 PolarHBondContact O-N 3.38Å; D224-Q227 WeakPolarHBondContact O-CB 3.49Å; D224-Q227 PolarHBondContact O-N 3.3Å; D224-Q227 VanDerWaalsContact O-N 3.16Å
225T89.8Confident90.8Very high78 Ų7855.5 Ų55.548%0.47931%0.31SS..G310 helixtrans-61.6-27.1176.5-49.20000111.9P222 A223P222-T225 WeakPolarHBondContact O-CB 3.43Å; P222-T225 PolarHBondContact O-N 3.05Å; P222-T225 VanDerWaalsContact O-N 3.12Å; A223-T225 PolarHBondContact O-N 3.47Å
226L92.8Very high90.8Very high0 Ų055.1 Ų55.10%031%0.308CS..G310 helixtrans-102.710.3-179.5-64174.1000113.7F153 L217 H218 L221 A223 D224 G228 H229 R230F153-L226 HydrophobicContact CD2-CD2 4.24Å; F153-L226 HydrophobicContact CE2-CD2 4.22Å; L217-L226 VanDerWaalsContact C-CD1 3.47Å; L217-L226 HydrophobicContact CB-CD1 3.72Å; L217-L226 HydrophobicContact CB-CD2 4.04Å; L217-L226 HydrophobicContact CD1-CD2 4.26Å; H218-L226 HydrophobicContact CB-CD1 4.27Å; L221-L226 HydrophobicContact CB-CD1 4.07Å; L221-L226 HydrophobicContact CB-CG 4.26Å; L221-L226 HydrophobicContact CD1-CD2 4.05Å; L221-L226 HydrophobicContact CD1-CG 4.42Å; A223-L226 CarbonylContact O-C 3.52Å; A223-L226 PolarHBondContact O-N 3.13Å; A223-L226 VanDerWaalsContact O-N 3.14Å; D224-L226 PolarHBondContact O-N 3.38Å; L226-G228 PolarHBondContact O-N 3.31Å; L226-H229 HydrophobicContact CB-CB 4.45Å; L226-H229 HydrophobicContact CD2-CB 4.29Å; L226-H229 WeakPolarHBondContact O-CB 3.33Å; L226-H229 PolarHBondContact O-N 3.44Å; L226-H229 VanDerWaalsContact O-N 3.13Å; L226-R230 PolarHBondContact O-N 2.86Å
227Q89Confident91Very high79 Ų7953 Ų5337%0.36930%0.299SS..Hα-helixtrans-56.2-54.7178.3-174.761.554.600111.4A223 D224 H229 R230 D231A223-Q227 PolarHBondContact O-N 3.04Å; D224-Q227 WeakPolarHBondContact O-CB 3.49Å; D224-Q227 PolarHBondContact O-N 3.3Å; D224-Q227 VanDerWaalsContact O-N 3.16Å; Q227-H229 PolarHBondContact O-N 3.4Å; Q227-H229 VanDerWaalsContact O-N 3.12Å; Q227-R230 WeakPolarHBondContact O-CA 3.37Å; Q227-R230 WeakPolarHBondContact O-CB 3.38Å; Q227-R230 PolarHBondContact O-N 3.19Å; Q227-R230 VanDerWaalsContact OE1-CZ 3.26Å; Q227-R230 VanDerWaalsContact OE1-NH1 3.15Å; Q227-D231 PolarHBondContact NE2-OD1 3.37Å; Q227-D231 PolarHBondContact O-N 3.29Å
228G89.2Confident91Very high41 Ų4157.2 Ų57.242%0.42333%0.325SS..Hα-helixtrans-63.2-20.1178.100000115L226 R232L226-G228 PolarHBondContact O-N 3.31Å; G228-R232 PolarHBondContact O-N 2.91Å
229H93.3Very high91.1Very high15 Ų1558.9 Ų58.97%0.06933%0.332CS..Hα-helixtrans-76.4-43172-83.368.3000111.4F153 V157 F160 L214 L226 Q227 D231 F233F153-H229 AromaticContact CD2-CE1 3.87Å; F153-H229 AromaticContact CE1-CE1 3.77Å; F153-H229 AromaticContact CE2-CE1 3.4Å; F153-H229 VanDerWaalsContact CE2-CE1 3.4Å; F153-H229 WeakPolarHBondContact CE2-CE1 3.35Å; F153-H229 AromaticContact CE2-ND1 3.93Å; F153-H229 AromaticContact CZ-CE1 3.36Å; F153-H229 WeakPolarHBondContact CZ-CE1 3.48Å; V157-H229 WeakPolarHBondContact CG2-NE2 3.46Å; F160-H229 HydrophobicContact CE2-CB 4.32Å; F160-H229 AromaticContact CE2-CD2 3.76Å; F160-H229 WeakPolarHBondContact CZ-O 3.37Å; L214-H229 HydrophobicContact CD2-CB 3.79Å; L226-H229 HydrophobicContact CB-CB 4.45Å; L226-H229 HydrophobicContact CD2-CB 4.29Å; L226-H229 WeakPolarHBondContact O-CB 3.33Å; L226-H229 PolarHBondContact O-N 3.44Å; L226-H229 VanDerWaalsContact O-N 3.13Å; Q227-H229 PolarHBondContact O-N 3.4Å; Q227-H229 VanDerWaalsContact O-N 3.12Å; H229-D231 VanDerWaalsContact C-N 3.35Å; H229-F233 WeakPolarHBondContact O-CB 3.5Å; H229-F233 PolarHBondContact O-N 3.38Å
230R93.1Very high91.3Very high44 Ų4454.4 Ų54.417%0.16630%0.301CS..Hα-helixtrans-62.5-42.2171.1-70-178.1-78.3126.70.3111H218 A223 L226 Q227 F233 M234 F269H218-R230 WeakPolarHBondContact NE2-CD 3.46Å; A223-R230 PolarHBondContact O-NH2 2.72Å; L226-R230 PolarHBondContact O-N 2.86Å; Q227-R230 WeakPolarHBondContact O-CA 3.37Å; Q227-R230 WeakPolarHBondContact O-CB 3.38Å; Q227-R230 PolarHBondContact O-N 3.19Å; Q227-R230 VanDerWaalsContact OE1-CZ 3.26Å; Q227-R230 VanDerWaalsContact OE1-NH1 3.15Å; R230-F233 PolarHBondContact O-N 3.48Å; R230-M234 VanDerWaalsContact O-CG 3.23Å; R230-M234 WeakPolarHBondContact O-CG 3.46Å; R230-M234 PolarHBondContact O-N 3.49Å; R230-F269 HydrophobicContact CG-CD2 4.19Å
231D92.2Very high91.5Very high86 Ų8654.7 Ų54.746%0.4629%0.294SS..Hα-helixtrans-60.8-49.9179-57.2-26.7000111.8Q227 H229 F233 M234 E235Q227-D231 PolarHBondContact NE2-OD1 3.37Å; Q227-D231 PolarHBondContact O-N 3.29Å; H229-D231 VanDerWaalsContact C-N 3.35Å; D231-F233 VanDerWaalsContact C-N 3.34Å; D231-F233 PolarHBondContact O-N 3.08Å; D231-M234 PolarHBondContact O-N 2.95Å; D231-E235 PolarHBondContact O-N 3.01Å
232R95.1Very high91.5Very high63 Ų6354.6 Ų54.624%0.23829%0.293CS..Hα-helixtrans-60.7-41.4174.1-74.3-169.484.3-173.76.2112F160 D161 E164 G228 E235 Q236F160-R232 HydrophobicContact CD2-CB 4.17Å; F160-R232 HydrophobicContact CE2-CB 4.13Å; F160-R232 HydrophobicContact CG-CB 4.45Å; F160-R232 HydrophobicContact CZ-CB 4.38Å; D161-R232 IonicContact OD1-CZ 3.13Å; D161-R232 VanDerWaalsContact OD1-CZ 3.23Å; D161-R232 IonicContact OD1-NH1 3.52Å; D161-R232 PolarHBondContact OD1-NH1 3.34Å; D161-R232 IonicContact OD1-NH2 2.83Å; D161-R232 PolarHBondContact OD1-NH2 2.77Å; E164-R232 IonicContact OE2-CZ 3.53Å; E164-R232 IonicContact OE2-NH2 3.85Å; E164-R232 PolarHBondContact OE2-NH2 2.91Å; G228-R232 PolarHBondContact O-N 2.91Å; R232-E235 PolarHBondContact O-N 2.86Å; R232-Q236 WeakPolarHBondContact O-CB 3.3Å; R232-Q236 WeakPolarHBondContact O-CG 3.39Å; R232-Q236 PolarHBondContact O-N 3.38Å
233F95.5Very high91.8Very high4 Ų450.9 Ų50.92%0.01827%0.269CS..Hα-helixtrans-61.3-44.9177.2-179.9-89.5000112.1F160 Y207 V211 L214 H229 R230 D231 E235 Q236 F237 P266 F269F160-F233 HydrophobicContact CE1-CB 4Å; F160-F233 HydrophobicContact CE1-CD2 4.25Å; F160-F233 HydrophobicContact CZ-CB 3.95Å; Y207-F233 HydrophobicContact CD2-CE2 4.17Å; Y207-F233 HydrophobicContact CD2-CZ 4.34Å; Y207-F233 AromaticContact CE2-CE2 3.86Å; Y207-F233 HydrophobicContact CE2-CE2 3.86Å; Y207-F233 AromaticContact CE2-CZ 3.59Å; Y207-F233 HydrophobicContact CE2-CZ 3.59Å; V211-F233 HydrophobicContact CG2-CE2 3.63Å; V211-F233 HydrophobicContact CG2-CZ 3.67Å; L214-F233 HydrophobicContact CD1-CB 3.81Å; L214-F233 HydrophobicContact CD1-CD2 3.41Å; L214-F233 VanDerWaalsContact CD1-CD2 3.41Å; L214-F233 HydrophobicContact CD1-CE2 4.15Å; L214-F233 HydrophobicContact CD1-CG 3.7Å; H229-F233 WeakPolarHBondContact O-CB 3.5Å; H229-F233 PolarHBondContact O-N 3.38Å; R230-F233 PolarHBondContact O-N 3.48Å; D231-F233 VanDerWaalsContact C-N 3.34Å; D231-F233 PolarHBondContact O-N 3.08Å; F233-E235 VanDerWaalsContact C-N 3.35Å; F233-E235 PolarHBondContact O-N 3.22Å; F233-Q236 PolarHBondContact O-N 2.86Å; F233-F237 HydrophobicContact CD1-CB 4.39Å; F233-F237 HydrophobicContact CE1-CB 4.08Å; F233-F237 HydrophobicContact CE1-CG 4.41Å; F233-F237 HydrophobicContact CZ-CB 4.45Å; F233-F237 WeakPolarHBondContact O-CB 3.49Å; F233-F237 PolarHBondContact O-N 3.39Å; F233-P266 HydrophobicContact CE1-CB 4Å; F233-F269 AromaticContact CD1-CE2 3.54Å; F233-F269 HydrophobicContact CD1-CE2 3.54Å; F233-F269 AromaticContact CD1-CZ 3.81Å; F233-F269 HydrophobicContact CD1-CZ 3.81Å; F233-F269 HydrophobicContact CD2-CE2 4.49Å; F233-F269 HydrophobicContact CD2-CZ 4.09Å; F233-F269 AromaticContact CE1-CE2 3.7Å; F233-F269 HydrophobicContact CE1-CE2 3.7Å; F233-F269 AromaticContact CE1-CZ 3.64Å; F233-F269 HydrophobicContact CE1-CZ 3.64Å; F233-F269 AromaticContact CE2-CZ 3.94Å; F233-F269 HydrophobicContact CE2-CZ 3.94Å; F233-F269 AromaticContact CG-CE2 3.96Å; F233-F269 HydrophobicContact CG-CE2 3.96Å; F233-F269 HydrophobicContact CG-CZ 4.02Å; F233-F269 HydrophobicContact CZ-CE2 4.25Å; F233-F269 AromaticContact CZ-CZ 3.7Å; F233-F269 HydrophobicContact CZ-CZ 3.7Å
234M92.5Very high92.2Very high95 Ų9549.2 Ų49.247%0.46826%0.255SS..Hα-helixtrans-62.3-41.1-180-68.8-68-72.900112R230 D231 T238 P266R230-M234 VanDerWaalsContact O-CG 3.23Å; R230-M234 WeakPolarHBondContact O-CG 3.46Å; R230-M234 PolarHBondContact O-N 3.49Å; D231-M234 PolarHBondContact O-N 2.95Å; M234-T238 WeakPolarHBondContact O-CB 3.32Å; M234-T238 PolarHBondContact O-N 2.69Å; M234-T238 VanDerWaalsContact O-N 3.15Å; M234-T238 PolarHBondContact O-OG1 3.43Å; M234-P266 HydrophobicContact CE-CG 3.74Å; M234-P266 HydrophobicContact SD-CB 3.94Å; M234-P266 HydrophobicContact SD-CG 3.42Å; M234-P266 WeakPolarHBondContact SD-CG 3.11Å
235E92.8Very high92.5Very high102 Ų10249.2 Ų49.248%0.47725%0.246SC..Hα-helixtrans-64.6-46.7175.1-166.1-168170.500111.6D231 R232 F233 T238 K239D231-E235 PolarHBondContact O-N 3.01Å; R232-E235 PolarHBondContact O-N 2.86Å; F233-E235 VanDerWaalsContact C-N 3.35Å; F233-E235 PolarHBondContact O-N 3.22Å; E235-T238 PolarHBondContact O-N 3.26Å; E235-K239 VanDerWaalsContact CD-NZ 3.33Å; E235-K239 WeakPolarHBondContact O-CG 3.48Å; E235-K239 PolarHBondContact O-N 3.06Å; E235-K239 VanDerWaalsContact OE1-CE 3.27Å; E235-K239 WeakPolarHBondContact OE1-CE 3.45Å; E235-K239 IonicContact OE1-NZ 2.69Å; E235-K239 PolarHBondContact OE1-NZ 2.95Å
236Q94.1Very high92.4Very high4 Ų449.9 Ų49.92%0.01924%0.24CC..Hα-helixtrans-70.8-37.3-178.9-68.3-171.51100112.8F160 L163 L167 R232 F233 T238 K239 L240F160-Q236 PolarHBondContact O-NE2 3.35Å; L163-Q236 HydrophobicContact CD2-CB 4.49Å; L167-Q236 HydrophobicContact CD1-CB 3.93Å; L167-Q236 HydrophobicContact CD1-CG 4.05Å; R232-Q236 WeakPolarHBondContact O-CB 3.3Å; R232-Q236 WeakPolarHBondContact O-CG 3.39Å; R232-Q236 PolarHBondContact O-N 3.38Å; F233-Q236 PolarHBondContact O-N 2.86Å; Q236-T238 VanDerWaalsContact C-N 3.34Å; Q236-T238 PolarHBondContact O-N 3.3Å; Q236-K239 PolarHBondContact O-N 3.16Å; Q236-L240 VanDerWaalsContact O-CB 3.24Å; Q236-L240 WeakPolarHBondContact O-CB 3.47Å; Q236-L240 PolarHBondContact O-N 3.48Å
237F94.4Very high92.2Very high10 Ų1049.9 Ų49.94%0.04424%0.24CC..Hα-helixtrans-59.3-44.4172.6174.7-106.4000111.4Y207 F233 K239 L240 K241 L262 P266Y207-F237 AromaticContact CE2-CD2 3.67Å; Y207-F237 HydrophobicContact CE2-CD2 3.67Å; Y207-F237 HydrophobicContact CE2-CE2 4.21Å; F233-F237 HydrophobicContact CD1-CB 4.39Å; F233-F237 HydrophobicContact CE1-CB 4.08Å; F233-F237 HydrophobicContact CE1-CG 4.41Å; F233-F237 HydrophobicContact CZ-CB 4.45Å; F233-F237 WeakPolarHBondContact O-CB 3.49Å; F233-F237 PolarHBondContact O-N 3.39Å; F237-K239 PolarHBondContact O-N 3.4Å; F237-L240 PolarHBondContact O-N 3.36Å; F237-K241 HydrophobicContact CE1-CD 4.35Å; F237-K241 HydrophobicContact CZ-CD 4.39Å; F237-K241 WeakPolarHBondContact O-CB 3.32Å; F237-K241 PolarHBondContact O-N 3.27Å; F237-L262 HydrophobicContact CD2-CD1 4.27Å; F237-L262 HydrophobicContact CE2-CB 4.28Å; F237-L262 HydrophobicContact CE2-CD1 4.11Å; F237-P266 HydrophobicContact CD1-CB 3.73Å; F237-P266 HydrophobicContact CD1-CG 4.16Å; F237-P266 HydrophobicContact CE1-CB 3.73Å; F237-P266 HydrophobicContact CE1-CG 4.07Å; F237-P266 HydrophobicContact CG-CB 4.16Å; F237-P266 HydrophobicContact CZ-CB 4.14Å
238T92.3Very high92.2Very high90 Ų9046.9 Ų46.955%0.55223%0.227SC*.Hα-helixtrans-61.2-46.6178-56.60000111.3M234 E235 Q236 L240 D242M234-T238 WeakPolarHBondContact O-CB 3.32Å; M234-T238 PolarHBondContact O-N 2.69Å; M234-T238 VanDerWaalsContact O-N 3.15Å; M234-T238 PolarHBondContact O-OG1 3.43Å; E235-T238 PolarHBondContact O-N 3.26Å; Q236-T238 VanDerWaalsContact C-N 3.34Å; Q236-T238 PolarHBondContact O-N 3.3Å; T238-L240 PolarHBondContact O-N 2.87Å; T238-D242 PolarHBondContact O-N 2.81Å
239K93.9Very high92Very high65 Ų6547.3 Ų47.328%0.28322%0.22SC..Hα-helixtrans-63.9-37.8175.2-67170.5-175.4171.10112.4L167 E235 Q236 F237 L243L167-K239 HydrophobicContact CD1-CB 4.01Å; L167-K239 HydrophobicContact CD1-CD 4.4Å; L167-K239 HydrophobicContact CD2-CB 3.99Å; L167-K239 HydrophobicContact CG-CB 4.42Å; E235-K239 VanDerWaalsContact CD-NZ 3.33Å; E235-K239 WeakPolarHBondContact O-CG 3.48Å; E235-K239 PolarHBondContact O-N 3.06Å; E235-K239 VanDerWaalsContact OE1-CE 3.27Å; E235-K239 WeakPolarHBondContact OE1-CE 3.45Å; E235-K239 IonicContact OE1-NZ 2.69Å; E235-K239 PolarHBondContact OE1-NZ 2.95Å; Q236-K239 PolarHBondContact O-N 3.16Å; F237-K239 PolarHBondContact O-N 3.4Å; K239-L243 WeakPolarHBondContact O-CB 3.42Å; K239-L243 PolarHBondContact O-N 2.92Å
240L94.1Very high91.6Very high0 Ų047.8 Ų47.80%022%0.223CC..Hα-helixtrans-73.5-37.4-179.3-177.561.7000112.7L167 C203 Y207 Q236 F237 T238 D242 L243 F244 L262L167-L240 HydrophobicContact CD2-CB 4.06Å; L167-L240 HydrophobicContact CD2-CD1 4.24Å; C203-L240 HydrophobicContact CB-CD1 3.63Å; Y207-L240 HydrophobicContact CD2-CD2 3.71Å; Y207-L240 HydrophobicContact CG-CD2 3.75Å; Q236-L240 VanDerWaalsContact O-CB 3.24Å; Q236-L240 WeakPolarHBondContact O-CB 3.47Å; Q236-L240 PolarHBondContact O-N 3.48Å; F237-L240 PolarHBondContact O-N 3.36Å; T238-L240 PolarHBondContact O-N 2.87Å; L240-D242 VanDerWaalsContact C-N 3.32Å; L240-L243 HydrophobicContact CD1-CB 4.4Å; L240-L243 HydrophobicContact CD1-CD1 4.48Å; L240-L243 HydrophobicContact CD1-CD2 4.47Å; L240-L243 WeakPolarHBondContact O-CB 3.27Å; L240-L243 PolarHBondContact O-N 3.4Å; L240-L243 VanDerWaalsContact O-N 3.15Å; L240-F244 HydrophobicContact CD1-CD1 4.04Å; L240-F244 HydrophobicContact CD1-CE1 3.71Å; L240-F244 HydrophobicContact CD1-CZ 4.08Å; L240-F244 PolarHBondContact O-N 3.31Å; L240-L262 HydrophobicContact CB-CD1 4.34Å; L240-L262 HydrophobicContact CD2-CD1 3.87Å; L240-L262 HydrophobicContact CG-CD1 3.77Å
241K91.9Very high91.1Very high77 Ų7749.6 Ų49.634%0.33523%0.233SC..Hα-helixtrans-61.5-42.9173.6-169.8178.6-178.6-169.60110.5F237 Y245 E264F237-K241 HydrophobicContact CE1-CD 4.35Å; F237-K241 HydrophobicContact CZ-CD 4.39Å; F237-K241 WeakPolarHBondContact O-CB 3.32Å; F237-K241 PolarHBondContact O-N 3.27Å; K241-Y245 WeakPolarHBondContact O-CB 3.35Å; K241-Y245 PolarHBondContact O-N 2.88Å; K241-E264 PolarHBondContact NZ-O 3.45Å
242D89.9Confident90.9Very high43 Ų4346.8 Ų46.823%0.2322%0.217CC..Hα-helixtrans-62.5-42170.8-174.380.6000112.3T238 L240 Y245 R246T238-D242 PolarHBondContact O-N 2.81Å; L240-D242 VanDerWaalsContact C-N 3.32Å; D242-Y245 PolarHBondContact O-N 3.41Å; D242-R246 VanDerWaalsContact CG-NH2 3.3Å; D242-R246 WeakPolarHBondContact O-CB 3.39Å; D242-R246 WeakPolarHBondContact O-CG 3.47Å; D242-R246 PolarHBondContact O-N 2.74Å; D242-R246 IonicContact OD1-CZ 2.7Å; D242-R246 IonicContact OD1-NE 3.56Å; D242-R246 PolarHBondContact OD1-NE 3.12Å; D242-R246 IonicContact OD1-NH2 3.41Å; D242-R246 PolarHBondContact OD1-NH2 3.31Å; D242-R246 WeakPolarHBondContact OD2-CD 3.49Å; D242-R246 IonicContact OD2-CZ 2.78Å; D242-R246 IonicContact OD2-NE 3.58Å; D242-R246 PolarHBondContact OD2-NE 2.88Å; D242-R246 IonicContact OD2-NH2 2.87Å; D242-R246 PolarHBondContact OD2-NH2 3.43Å; D242-R246 VanDerWaalsContact OD2-NH2 3.15Å
243L92.6Very high90.6Very high0 Ų043.8 Ų43.80%021%0.205CC..Hα-helixtrans-57.9-52176.5-170.3158.5000112.5L167 F170 V199 I200 K239 L240 S247L167-L243 HydrophobicContact CD2-CB 4.47Å; L167-L243 HydrophobicContact CD2-CD1 3.74Å; F170-L243 HydrophobicContact CB-CD1 3.49Å; F170-L243 VanDerWaalsContact CB-CD1 3.49Å; F170-L243 HydrophobicContact CB-CG 4.13Å; F170-L243 HydrophobicContact CD1-CB 3.99Å; F170-L243 HydrophobicContact CD1-CD1 3.82Å; F170-L243 HydrophobicContact CD1-CG 3.83Å; F170-L243 HydrophobicContact CD2-CB 4.35Å; F170-L243 HydrophobicContact CD2-CD1 3.9Å; F170-L243 HydrophobicContact CD2-CD2 4.44Å; F170-L243 HydrophobicContact CD2-CG 3.52Å; F170-L243 HydrophobicContact CE1-CB 3.92Å; F170-L243 HydrophobicContact CE1-CG 4.13Å; F170-L243 HydrophobicContact CE2-CB 4.24Å; F170-L243 HydrophobicContact CE2-CG 3.79Å; F170-L243 HydrophobicContact CG-CB 4.22Å; F170-L243 HydrophobicContact CG-CD1 3.44Å; F170-L243 VanDerWaalsContact CG-CD1 3.44Å; F170-L243 HydrophobicContact CG-CG 3.53Å; F170-L243 HydrophobicContact CZ-CB 4.07Å; F170-L243 HydrophobicContact CZ-CG 4.12Å; V199-L243 HydrophobicContact CG1-CD1 4.21Å; I200-L243 HydrophobicContact CG1-CD2 3.66Å; K239-L243 WeakPolarHBondContact O-CB 3.42Å; K239-L243 PolarHBondContact O-N 2.92Å; L240-L243 HydrophobicContact CD1-CB 4.4Å; L240-L243 HydrophobicContact CD1-CD1 4.48Å; L240-L243 HydrophobicContact CD1-CD2 4.47Å; L240-L243 WeakPolarHBondContact O-CB 3.27Å; L240-L243 PolarHBondContact O-N 3.4Å; L240-L243 VanDerWaalsContact O-N 3.15Å; L243-S247 WeakPolarHBondContact O-CB 3.38Å; L243-S247 PolarHBondContact O-N 3.39Å; L243-S247 PolarHBondContact O-OG 3.41Å
244F92.8Very high90.1Very high1 Ų149.7 Ų49.70%0.00423%0.231CC..Hα-helixtrans-68.4-40.6179.1-767.9000111.5I200 C203 L240 S248 I259 P260 L262 P281I200-F244 HydrophobicContact CG2-CE1 4.13Å; C203-F244 HydrophobicContact CB-CE1 4.39Å; L240-F244 HydrophobicContact CD1-CD1 4.04Å; L240-F244 HydrophobicContact CD1-CE1 3.71Å; L240-F244 HydrophobicContact CD1-CZ 4.08Å; L240-F244 PolarHBondContact O-N 3.31Å; F244-S248 WeakPolarHBondContact O-CB 3.46Å; F244-S248 PolarHBondContact O-N 3.49Å; F244-S248 PolarHBondContact O-OG 3.39Å; F244-I259 HydrophobicContact CB-CG2 3.92Å; F244-I259 HydrophobicContact CD1-CG2 3.97Å; F244-I259 HydrophobicContact CD2-CG2 4.29Å; F244-I259 HydrophobicContact CG-CG2 3.8Å; F244-P260 HydrophobicContact CD2-CG 4.28Å; F244-P260 VanDerWaalsContact CD2-O 3.31Å; F244-P260 WeakPolarHBondContact CD2-O 3.21Å; F244-P260 HydrophobicContact CE2-CG 4Å; F244-L262 HydrophobicContact CD2-CD1 4.29Å; F244-L262 HydrophobicContact CD2-CD2 4.29Å; F244-L262 HydrophobicContact CD2-CG 3.83Å; F244-L262 HydrophobicContact CE2-CD2 4.19Å; F244-L262 HydrophobicContact CE2-CG 4.19Å; F244-P281 HydrophobicContact CE2-CB 4.08Å; F244-P281 HydrophobicContact CE2-CG 4.49Å
245Y90.3Very high89.5Confident137 Ų13753.4 Ų53.454%0.53724%0.24SC..Hα-helixtrans-65.3-46.7178.4179.7-106.4000113K241 D242 S248 N249K241-Y245 WeakPolarHBondContact O-CB 3.35Å; K241-Y245 PolarHBondContact O-N 2.88Å; D242-Y245 PolarHBondContact O-N 3.41Å; Y245-S248 PolarHBondContact O-OG 3.32Å; Y245-S248 VanDerWaalsContact O-OG 3.09Å; Y245-N249 PolarHBondContact O-N 3.44Å; Y245-N249 PolarHBondContact O-ND2 2.89Å
246R88.3Confident89.1Confident91 Ų9151.5 Ų51.534%0.34323%0.232SC..Hα-helixtrans-68-42.3177.6-68.5-170.1-164.7-174.919.4111.7F170 F174 D242 N249F170-R246 HydrophobicContact CZ-CB 4.26Å; F174-R246 HydrophobicContact CD1-CB 4.47Å; F174-R246 HydrophobicContact CE1-CB 3.78Å; F174-R246 HydrophobicContact CZ-CB 4.22Å; D242-R246 VanDerWaalsContact CG-NH2 3.3Å; D242-R246 WeakPolarHBondContact O-CB 3.39Å; D242-R246 WeakPolarHBondContact O-CG 3.47Å; D242-R246 PolarHBondContact O-N 2.74Å; D242-R246 IonicContact OD1-CZ 2.7Å; D242-R246 IonicContact OD1-NE 3.56Å; D242-R246 PolarHBondContact OD1-NE 3.12Å; D242-R246 IonicContact OD1-NH2 3.41Å; D242-R246 PolarHBondContact OD1-NH2 3.31Å; D242-R246 WeakPolarHBondContact OD2-CD 3.49Å; D242-R246 IonicContact OD2-CZ 2.78Å; D242-R246 IonicContact OD2-NE 3.58Å; D242-R246 PolarHBondContact OD2-NE 2.88Å; D242-R246 IonicContact OD2-NH2 2.87Å; D242-R246 PolarHBondContact OD2-NH2 3.43Å; D242-R246 VanDerWaalsContact OD2-NH2 3.15Å; R246-N249 PolarHBondContact O-N 3.14Å
247S90Very high88.8Confident0 Ų051.6 Ų51.60%023%0.233CC..Hα-helixtrans-68.1-44.6-179-57.20000111.9L243 N249 L250 F253L243-S247 WeakPolarHBondContact O-CB 3.38Å; L243-S247 PolarHBondContact O-N 3.39Å; L243-S247 PolarHBondContact O-OG 3.41Å; S247-N249 PolarHBondContact O-N 2.79Å; S247-N249 VanDerWaalsContact O-N 3.11Å; S247-L250 PolarHBondContact O-N 3.1Å; S247-L250 VanDerWaalsContact O-N 3.08Å; S247-F253 WeakPolarHBondContact O-CD2 3.11Å
248S87.9Confident88.5Confident16 Ų1657.5 Ų57.511%0.11226%0.261CS..Hα-helixtrans-61.3-20.8176.560.50000113.1F244 Y245 K254 Q261F244-S248 WeakPolarHBondContact O-CB 3.46Å; F244-S248 PolarHBondContact O-N 3.49Å; F244-S248 PolarHBondContact O-OG 3.39Å; Y245-S248 PolarHBondContact O-OG 3.32Å; Y245-S248 VanDerWaalsContact O-OG 3.09Å; S248-K254 WeakPolarHBondContact O-CE 3.46Å; S248-Q261 PolarHBondContact OG-NE2 3.41Å
249N84.3Confident88.4Confident50 Ų5053.9 Ų53.927%0.26724%0.238SC..THydrogen-bonded Turntrans-84.1-13.6176.4-89.9-72.1000115.4Y245 R246 S247Y245-N249 PolarHBondContact O-N 3.44Å; Y245-N249 PolarHBondContact O-ND2 2.89Å; R246-N249 PolarHBondContact O-N 3.14Å; S247-N249 PolarHBondContact O-N 2.79Å; S247-N249 VanDerWaalsContact O-N 3.11Å
250L85.3Confident87.8Confident26 Ų2652.1 Ų52.114%0.13623%0.233CC..SBendtrans-88.3140.2-177.9-67.2-176.6000113.5F174 L193 S247 Y252 F253 K254F174-L250 HydrophobicContact CE1-CD1 3.95Å; F174-L250 HydrophobicContact CE2-CD1 4.42Å; F174-L250 HydrophobicContact CZ-CD1 3.52Å; F174-L250 HydrophobicContact CZ-CG 4.46Å; L193-L250 HydrophobicContact CD1-CD1 4.1Å; L193-L250 HydrophobicContact CD2-CD1 4.01Å; S247-L250 PolarHBondContact O-N 3.1Å; S247-L250 VanDerWaalsContact O-N 3.08Å; L250-Y252 PolarHBondContact O-N 3.3Å; L250-F253 HydrophobicContact CB-CD2 4.07Å; L250-F253 HydrophobicContact CD1-CD2 4.42Å; L250-F253 HydrophobicContact CD1-CE2 4.11Å; L250-F253 PolarHBondContact O-N 3.47Å; L250-K254 PolarHBondContact O-N 3.45Å
251Q82.5Confident87.1Confident81 Ų8157.8 Ų57.838%0.37926%0.259SS..THydrogen-bonded Turntrans-65.1-23.5-178-75.6-69.9-43.400114.1R255Q251-R255 WeakPolarHBondContact O-CG 3.39Å
252Y87.8Confident86.9Confident27 Ų2754.9 Ų54.911%0.10625%0.248CC..THydrogen-bonded Turntrans-67.7-53176.4-179.3-111.2000111.7Q190 L193 A194 I197 L250 R255 L256Q190-Y252 HydrophobicContact CB-CD2 4.13Å; Q190-Y252 HydrophobicContact CB-CE2 3.93Å; Q190-Y252 HydrophobicContact CG-CD2 3.53Å; Q190-Y252 HydrophobicContact CG-CE2 3.82Å; Q190-Y252 HydrophobicContact CG-CG 4.29Å; L193-Y252 HydrophobicContact CB-CD1 3.64Å; L193-Y252 HydrophobicContact CB-CE1 3.92Å; L193-Y252 HydrophobicContact CB-CG 4.38Å; L193-Y252 HydrophobicContact CD1-CD1 4.33Å; L193-Y252 HydrophobicContact CD1-CG 4.4Å; A194-Y252 WeakPolarHBondContact CA-OH 3.31Å; A194-Y252 HydrophobicContact CB-CE1 4.46Å; A194-Y252 VanDerWaalsContact CB-OH 3.28Å; A194-Y252 WeakPolarHBondContact CB-OH 3.47Å; I197-Y252 HydrophobicContact CD1-CE1 4.13Å; L250-Y252 PolarHBondContact O-N 3.3Å; Y252-R255 PolarHBondContact O-N 3.16Å; Y252-L256 HydrophobicContact CD1-CD1 4.43Å; Y252-L256 HydrophobicContact CD2-CD1 4.11Å; Y252-L256 HydrophobicContact CE1-CD1 3.93Å; Y252-L256 HydrophobicContact CE2-CD1 3.58Å; Y252-L256 VanDerWaalsContact CZ-CD1 3.47Å
253F90Very high86.6Confident1 Ų156 Ų560%0.00426%0.257CS..G310 helixtrans-69.3-39.7-178.2-59.6-60.3000112L193 L196 I197 I200 S247 L250 R255 L256 I257 I259L193-F253 HydrophobicContact CB-CZ 3.98Å; L193-F253 HydrophobicContact CD2-CE2 4.02Å; L193-F253 HydrophobicContact CD2-CZ 3.99Å; L193-F253 HydrophobicContact CG-CZ 4.5Å; L196-F253 HydrophobicContact CB-CE1 4.21Å; L196-F253 HydrophobicContact CB-CZ 3.84Å; L196-F253 HydrophobicContact CD1-CZ 4.23Å; I197-F253 HydrophobicContact CG1-CD1 3.98Å; I197-F253 HydrophobicContact CG1-CE1 3.84Å; I200-F253 HydrophobicContact CD1-CD1 4.31Å; I200-F253 HydrophobicContact CD1-CE1 4.22Å; I200-F253 HydrophobicContact CD1-CZ 4.44Å; S247-F253 WeakPolarHBondContact O-CD2 3.11Å; L250-F253 HydrophobicContact CB-CD2 4.07Å; L250-F253 HydrophobicContact CD1-CD2 4.42Å; L250-F253 HydrophobicContact CD1-CE2 4.11Å; L250-F253 PolarHBondContact O-N 3.47Å; F253-R255 PolarHBondContact O-N 3.33Å; F253-L256 PolarHBondContact O-N 3.45Å; F253-I257 HydrophobicContact CB-CD1 4.43Å; F253-I257 HydrophobicContact CB-CG1 4.03Å; F253-I257 HydrophobicContact CD1-CD1 4.01Å; F253-I257 HydrophobicContact CD1-CG1 4.29Å; F253-I257 PolarHBondContact O-N 3.11Å; F253-I259 HydrophobicContact CB-CD1 3.95Å; F253-I259 HydrophobicContact CG-CD1 4.28Å
254K84.3Confident85.9Confident127 Ų12763.6 Ų63.655%0.55229%0.293SS*.G310 helixtrans-54.7-14177.8-74.8-164.3178.2-160.50115.8S248 L250S248-K254 WeakPolarHBondContact O-CE 3.46Å; L250-K254 PolarHBondContact O-N 3.45Å
255R79.9Confident85.5Confident174 Ų17469.6 Ų69.666%0.65733%0.325SS*.G310 helixtrans-102.8-8.6177.4-62.5178-172.2-163.40.3114.1Q251 Y252 F253Q251-R255 WeakPolarHBondContact O-CG 3.39Å; Y252-R255 PolarHBondContact O-N 3.16Å; F253-R255 PolarHBondContact O-N 3.33Å
256L84.6Confident85.3Confident61 Ų6164.8 Ų64.832%0.31931%0.311SS..THydrogen-bonded Turntrans-127.4-33.9-168.4-62.1175.6000112.7I197 Y252 F253 P286I197-L256 HydrophobicContact CD1-CB 4.39Å; I197-L256 HydrophobicContact CD1-CD1 3.88Å; Y252-L256 HydrophobicContact CD1-CD1 4.43Å; Y252-L256 HydrophobicContact CD2-CD1 4.11Å; Y252-L256 HydrophobicContact CE1-CD1 3.93Å; Y252-L256 HydrophobicContact CE2-CD1 3.58Å; Y252-L256 VanDerWaalsContact CZ-CD1 3.47Å; F253-L256 PolarHBondContact O-N 3.45Å; L256-P286 VanDerWaalsContact O-CD 3.3Å; L256-P286 WeakPolarHBondContact O-CD 3.4Å
257I88.2Confident85.3Confident7 Ų761.4 Ų61.44%0.03630%0.3CS..  trans-145.8140.4179.654.8174.5000111.1I197 I200 F253 I259 V283 I285I197-I257 HydrophobicContact CG1-CD1 4.35Å; I197-I257 HydrophobicContact CG2-CD1 4.4Å; I197-I257 HydrophobicContact CG2-CG2 4.11Å; I200-I257 HydrophobicContact CB-CD1 4.47Å; I200-I257 HydrophobicContact CD1-CD1 3.85Å; I200-I257 HydrophobicContact CG2-CD1 4.15Å; F253-I257 HydrophobicContact CB-CD1 4.43Å; F253-I257 HydrophobicContact CB-CG1 4.03Å; F253-I257 HydrophobicContact CD1-CD1 4.01Å; F253-I257 HydrophobicContact CD1-CG1 4.29Å; F253-I257 PolarHBondContact O-N 3.11Å; I257-I259 HydrophobicContact CD1-CD1 3.92Å; I257-I259 HydrophobicContact CD1-CG1 3.79Å; I257-I259 HydrophobicContact CG1-CD1 4.23Å; I257-I259 HydrophobicContact CG1-CG1 3.93Å; I257-V283 HydrophobicContact CB-CG1 4.1Å; I257-V283 HydrophobicContact CD1-CG1 4.47Å; I257-V283 HydrophobicContact CG2-CG1 4.31Å; I257-I285 HydrophobicContact CG2-CG1 4.19Å
258Q87.3Confident85.2Confident133 Ų13365.5 Ų65.562%0.62132%0.322SS*.BIsolated β-bridgetrans-90.1115164.4-178175.2-1.900108.2V283 V284Q258-V283 WeakPolarHBondContact O-CA 3.26Å; Q258-V284 HydrophobicContact CB-CB 4.24Å; Q258-V284 PolarHBondContact N-O 2.96Å; Q258-V284 PolarHBondContact O-N 3.46Å; Q258-V284 VanDerWaalsContact O-N 3.09Å
259I89.6Confident85.2Confident15 Ų1565.4 Ų65.48%0.07732%0.32CS..PPolyproline II helixtrans-96.5126.5-178.5-56.2172.9000107.9I200 F244 F253 I257I200-I259 HydrophobicContact CD1-CD1 3.8Å; I200-I259 HydrophobicContact CG2-CG1 4.28Å; I200-I259 HydrophobicContact CG2-CG2 4.44Å; F244-I259 HydrophobicContact CB-CG2 3.92Å; F244-I259 HydrophobicContact CD1-CG2 3.97Å; F244-I259 HydrophobicContact CD2-CG2 4.29Å; F244-I259 HydrophobicContact CG-CG2 3.8Å; F253-I259 HydrophobicContact CB-CD1 3.95Å; F253-I259 HydrophobicContact CG-CD1 4.28Å; I257-I259 HydrophobicContact CD1-CD1 3.92Å; I257-I259 HydrophobicContact CD1-CG1 3.79Å; I257-I259 HydrophobicContact CG1-CD1 4.23Å; I257-I259 HydrophobicContact CG1-CG1 3.93Å
260P82.8Confident85.3Confident27 Ų2768.1 Ų68.118%0.17533%0.334CS..PPolyproline II helixtrans-70.4155.2177.530.2-34.2000111.1F244 P281 V283F244-P260 HydrophobicContact CD2-CG 4.28Å; F244-P260 VanDerWaalsContact CD2-O 3.31Å; F244-P260 WeakPolarHBondContact CD2-O 3.21Å; F244-P260 HydrophobicContact CE2-CG 4Å; P260-P281 HydrophobicContact CB-CB 4.24Å; P260-P281 HydrophobicContact CG-CB 3.58Å; P260-V283 HydrophobicContact CG-CG2 4.32Å
261Q79.5Confident85.2Confident119 Ų11972.3 Ų72.356%0.55635%0.348SS*.PPolyproline II helixtrans-84.6143.8164.9-61-59.8-22.600109.2S248S248-Q261 PolarHBondContact OG-NE2 3.41Å
262L86.2Confident84.8Confident17 Ų1772.5 Ų72.59%0.08936%0.363CS..PPolyproline II helixtrans-85.4156.7168.8-71.7-178.7000110.7Y207 F237 L240 F244 P281Y207-L262 HydrophobicContact CD1-CD2 4.05Å; Y207-L262 HydrophobicContact CE1-CD2 3.68Å; F237-L262 HydrophobicContact CD2-CD1 4.27Å; F237-L262 HydrophobicContact CE2-CB 4.28Å; F237-L262 HydrophobicContact CE2-CD1 4.11Å; L240-L262 HydrophobicContact CB-CD1 4.34Å; L240-L262 HydrophobicContact CD2-CD1 3.87Å; L240-L262 HydrophobicContact CG-CD1 3.77Å; F244-L262 HydrophobicContact CD2-CD1 4.29Å; F244-L262 HydrophobicContact CD2-CD2 4.29Å; F244-L262 HydrophobicContact CD2-CG 3.83Å; F244-L262 HydrophobicContact CE2-CD2 4.19Å; F244-L262 HydrophobicContact CE2-CG 4.19Å; L262-P281 HydrophobicContact CD2-CB 4.16Å; L262-P281 HydrophobicContact CD2-CG 4.22Å
263P83.7Confident84.2Confident66 Ų6673.7 Ų73.743%0.42938%0.375SS..PPolyproline II helixtrans-53.4156.7174.2-27.136.2000113.2N265P263-N265 WeakPolarHBondContact CB-O 3.41Å
264E79.4Confident83.5Confident160 Ų16073.9 Ų73.975%0.74838%0.377SS*.SBendtrans-65.4-44177.2-66.4-155129.800112K241K241-E264 PolarHBondContact NZ-O 3.45Å
265N82.8Confident83.3Confident126 Ų12671.4 Ų71.467%0.67437%0.369SS*.SBendtrans-107.8144.7179.1-64.2-54.5000110.8P263P263-N265 WeakPolarHBondContact CB-O 3.41Å
266P87.3Confident82.9Confident37 Ų3768 Ų6824%0.2437%0.373CS..  trans-68.9155.6176.124.8-28.3000112.1F233 M234 F237 N268F233-P266 HydrophobicContact CE1-CB 4Å; M234-P266 HydrophobicContact CE-CG 3.74Å; M234-P266 HydrophobicContact SD-CB 3.94Å; M234-P266 HydrophobicContact SD-CG 3.42Å; M234-P266 WeakPolarHBondContact SD-CG 3.11Å; F237-P266 HydrophobicContact CD1-CB 3.73Å; F237-P266 HydrophobicContact CD1-CG 4.16Å; F237-P266 HydrophobicContact CE1-CB 3.73Å; F237-P266 HydrophobicContact CE1-CG 4.07Å; F237-P266 HydrophobicContact CG-CB 4.16Å; F237-P266 HydrophobicContact CZ-CB 4.14Å; P266-N268 PolarHBondContact O-N 3.5Å
267P87.9Confident82.6Confident20 Ų2070.3 Ų70.313%0.1338%0.382CS..  trans-58.2132.6176.3-24.334.6000112.8V211 F215 F269V211-P267 HydrophobicContact CG1-CB 4.38Å; V211-P267 HydrophobicContact CG1-CG 4.1Å; V211-P267 HydrophobicContact CG2-CG 4.18Å; F215-P267 HydrophobicContact CE2-CB 3.85Å; F215-P267 HydrophobicContact CZ-CB 4Å; P267-F269 HydrophobicContact CB-CE1 4.31Å; P267-F269 HydrophobicContact CB-CZ 4.36Å; P267-F269 WeakPolarHBondContact O-CD2 3.28Å; P267-F269 PolarHBondContact O-N 2.9Å
268N87.2Confident82.3Confident85 Ų8571.4 Ų71.446%0.45539%0.387SS..  trans-82.894.3176.4-176.4-11.8000110.8P266 L270 R271 A274P266-N268 PolarHBondContact O-N 3.5Å; N268-L270 PolarHBondContact O-N 3.35Å; N268-L270 VanDerWaalsContact O-N 3.08Å; N268-L270 WeakPolarHBondContact OD1-CB 3.47Å; N268-L270 PolarHBondContact OD1-N 2.87Å; N268-R271 HydrophobicContact CB-CB 4.37Å; N268-R271 PolarHBondContact O-N 3.42Å; N268-A274 HydrophobicContact CB-CB 4.49Å
269F89.6Confident81.9Confident15 Ų1571.7 Ų71.77%0.06639%0.391CS..THydrogen-bonded Turntrans-60.6-16.2-179.2-56.8-69.3000115.5V211 L214 F215 R230 F233 P267V211-F269 HydrophobicContact CG1-CE1 4.22Å; L214-F269 HydrophobicContact CB-CD1 3.65Å; L214-F269 HydrophobicContact CB-CE1 3.49Å; L214-F269 VanDerWaalsContact CB-CE1 3.49Å; L214-F269 HydrophobicContact CB-CG 4.28Å; L214-F269 HydrophobicContact CB-CZ 4Å; L214-F269 HydrophobicContact CD1-CE1 3.91Å; L214-F269 HydrophobicContact CD1-CE2 3.94Å; L214-F269 HydrophobicContact CD1-CZ 3.51Å; L214-F269 HydrophobicContact CG-CE1 4.36Å; L214-F269 HydrophobicContact CG-CZ 4.42Å; F215-F269 HydrophobicContact CD1-CD1 4.2Å; F215-F269 AromaticContact CD2-CD1 3.72Å; F215-F269 HydrophobicContact CD2-CD1 3.72Å; F215-F269 AromaticContact CD2-CE1 3.89Å; F215-F269 HydrophobicContact CD2-CE1 3.89Å; F215-F269 HydrophobicContact CE1-CD1 4.21Å; F215-F269 AromaticContact CE2-CD1 3.73Å; F215-F269 HydrophobicContact CE2-CD1 3.73Å; F215-F269 AromaticContact CE2-CE1 3.85Å; F215-F269 HydrophobicContact CE2-CE1 3.85Å; F215-F269 AromaticContact CG-CD1 3.96Å; F215-F269 HydrophobicContact CG-CD1 3.96Å; F215-F269 AromaticContact CZ-CD1 3.98Å; F215-F269 HydrophobicContact CZ-CD1 3.98Å; F215-F269 HydrophobicContact CZ-CE1 4.46Å; R230-F269 HydrophobicContact CG-CD2 4.19Å; F233-F269 AromaticContact CD1-CE2 3.54Å; F233-F269 HydrophobicContact CD1-CE2 3.54Å; F233-F269 AromaticContact CD1-CZ 3.81Å; F233-F269 HydrophobicContact CD1-CZ 3.81Å; F233-F269 HydrophobicContact CD2-CE2 4.49Å; F233-F269 HydrophobicContact CD2-CZ 4.09Å; F233-F269 AromaticContact CE1-CE2 3.7Å; F233-F269 HydrophobicContact CE1-CE2 3.7Å; F233-F269 AromaticContact CE1-CZ 3.64Å; F233-F269 HydrophobicContact CE1-CZ 3.64Å; F233-F269 AromaticContact CE2-CZ 3.94Å; F233-F269 HydrophobicContact CE2-CZ 3.94Å; F233-F269 AromaticContact CG-CE2 3.96Å; F233-F269 HydrophobicContact CG-CE2 3.96Å; F233-F269 HydrophobicContact CG-CZ 4.02Å; F233-F269 HydrophobicContact CZ-CE2 4.25Å; F233-F269 AromaticContact CZ-CZ 3.7Å; F233-F269 HydrophobicContact CZ-CZ 3.7Å; P267-F269 HydrophobicContact CB-CE1 4.31Å; P267-F269 HydrophobicContact CB-CZ 4.36Å; P267-F269 WeakPolarHBondContact O-CD2 3.28Å; P267-F269 PolarHBondContact O-N 2.9Å
270L84.8Confident81.4Confident107 Ų10773 Ų7356%0.5640%0.401SS*.THydrogen-bonded Turntrans-83.3-15.8175.4-53.8-178.5000112.6A223 N268A223-L270 HydrophobicContact CB-CD2 3.76Å; N268-L270 PolarHBondContact O-N 3.35Å; N268-L270 VanDerWaalsContact O-N 3.08Å; N268-L270 WeakPolarHBondContact OD1-CB 3.47Å; N268-L270 PolarHBondContact OD1-N 2.87Å
271R84.6Confident81.2Confident114 Ų11472.2 Ų72.243%0.4340%0.396SS..SBendtrans-107.897.6178.6177.1170170-96.1-7.6109N268 S273 A274 E277N268-R271 HydrophobicContact CB-CB 4.37Å; N268-R271 PolarHBondContact O-N 3.42Å; R271-S273 WeakPolarHBondContact CG-OG 3.49Å; R271-S273 PolarHBondContact NE-OG 3.33Å; R271-S273 PolarHBondContact NH2-OG 2.93Å; R271-S273 VanDerWaalsContact NH2-OG 3.12Å; R271-S273 PolarHBondContact O-N 2.86Å; R271-A274 HydrophobicContact CB-CB 4.49Å; R271-A274 VanDerWaalsContact O-CB 3.23Å; R271-A274 WeakPolarHBondContact O-CB 3.36Å; R271-A274 PolarHBondContact O-N 3.45Å; R271-E277 IonicContact CZ-OE1 3.82Å; R271-E277 IonicContact CZ-OE2 2.66Å; R271-E277 IonicContact NH1-OE1 2.68Å; R271-E277 PolarHBondContact NH1-OE1 3.22Å; R271-E277 IonicContact NH1-OE2 2.67Å; R271-E277 PolarHBondContact NH1-OE2 3.05Å; R271-E277 IonicContact NH2-OE1 3.12Å; R271-E277 PolarHBondContact NH2-OE1 3.2Å; R271-E277 IonicContact NH2-OE2 3.61Å
272A74.3Confident81.2Confident85 Ų8571.4 Ų71.470%0.70240%0.399SS*.G310 helixtrans-53.8-30.5-174.700000114.6A274 L275A272-A274 PolarHBondContact O-N 3.1Å; A272-L275 PolarHBondContact O-N 2.96Å
273S74.3Confident80.9Confident51 Ų5171.5 Ų71.536%0.35740%0.4SS..G310 helixtrans-67.9-19.7175.367.90000113.9R271 L275 S276 E277R271-S273 WeakPolarHBondContact CG-OG 3.49Å; R271-S273 PolarHBondContact NE-OG 3.33Å; R271-S273 PolarHBondContact NH2-OG 2.93Å; R271-S273 VanDerWaalsContact NH2-OG 3.12Å; R271-S273 PolarHBondContact O-N 2.86Å; S273-L275 PolarHBondContact O-N 3.43Å; S273-S276 PolarHBondContact O-N 2.84Å; S273-S276 PolarHBondContact O-OG 3.32Å; S273-E277 PolarHBondContact O-N 2.86Å
274A74.6Confident80.7Confident6 Ų671.6 Ų71.65%0.0540%0.4CS..G310 helixtrans-66.1-18.2175.600000112.7F215 N268 R271 A272 S276 E277 H278F215-A274 HydrophobicContact CE1-CB 4.24Å; F215-A274 HydrophobicContact CZ-CB 3.85Å; N268-A274 HydrophobicContact CB-CB 4.49Å; R271-A274 HydrophobicContact CB-CB 4.49Å; R271-A274 VanDerWaalsContact O-CB 3.23Å; R271-A274 WeakPolarHBondContact O-CB 3.36Å; R271-A274 PolarHBondContact O-N 3.45Å; A272-A274 PolarHBondContact O-N 3.1Å; A274-S276 VanDerWaalsContact C-N 3.31Å; A274-E277 PolarHBondContact O-N 2.91Å; A274-H278 PolarHBondContact O-N 3.29Å
275L80.6Confident80.5Confident74 Ų7469.3 Ų69.339%0.38739%0.392SS..G310 helixtrans-67.1-31.8168179.360.1000112K212 F215 A272 S273 E277 H278K212-L275 HydrophobicContact CG-CD1 4.48Å; F215-L275 HydrophobicContact CB-CD1 4.39Å; F215-L275 HydrophobicContact CB-CD2 4.08Å; F215-L275 HydrophobicContact CD1-CB 4Å; F215-L275 HydrophobicContact CD2-CB 3.89Å; F215-L275 HydrophobicContact CD2-CD1 3.69Å; F215-L275 HydrophobicContact CD2-CG 4.26Å; F215-L275 HydrophobicContact CE1-CB 4.1Å; F215-L275 HydrophobicContact CE2-CB 4Å; F215-L275 HydrophobicContact CE2-CD1 4.22Å; F215-L275 HydrophobicContact CG-CB 3.89Å; F215-L275 HydrophobicContact CG-CD1 4.18Å; F215-L275 HydrophobicContact CG-CD2 4.35Å; F215-L275 HydrophobicContact CG-CG 4.36Å; F215-L275 HydrophobicContact CZ-CB 4.12Å; A272-L275 PolarHBondContact O-N 2.96Å; S273-L275 PolarHBondContact O-N 3.43Å; L275-E277 VanDerWaalsContact C-N 3.27Å; L275-H278 PolarHBondContact O-N 3.45Å
276S72.4Confident79.1Confident104 Ų10466.7 Ų66.773%0.72738%0.381SS*.THydrogen-bonded Turntrans-79.3-9.617467.10000113.8S273 A274S273-S276 PolarHBondContact O-N 2.84Å; S273-S276 PolarHBondContact O-OG 3.32Å; A274-S276 VanDerWaalsContact C-N 3.31Å
277E77.1Confident77Confident109 Ų10969.7 Ų69.751%0.50941%0.409SS..THydrogen-bonded Turntrans-95.9-9.3173.5-64.6163.3-171.500111.9R271 S273 A274 L275R271-E277 IonicContact CZ-OE1 3.82Å; R271-E277 IonicContact CZ-OE2 2.66Å; R271-E277 IonicContact NH1-OE1 2.68Å; R271-E277 PolarHBondContact NH1-OE1 3.22Å; R271-E277 IonicContact NH1-OE2 2.67Å; R271-E277 PolarHBondContact NH1-OE2 3.05Å; R271-E277 IonicContact NH2-OE1 3.12Å; R271-E277 PolarHBondContact NH2-OE1 3.2Å; R271-E277 IonicContact NH2-OE2 3.61Å; S273-E277 PolarHBondContact O-N 2.86Å; A274-E277 PolarHBondContact O-N 2.91Å; L275-E277 VanDerWaalsContact C-N 3.27Å
278H83.3Confident74.7Confident30 Ų3078 Ų7814%0.13945%0.446CS..  trans-80.3133.1-179.2170.570.6000112.1Y207 D208 V211 A274 L275Y207-H278 AromaticContact CE1-CE1 3.8Å; D208-H278 IonicContact OD1-CD2 3.67Å; D208-H278 IonicContact OD1-CE1 2.72Å; D208-H278 IonicContact OD1-NE2 3.83Å; D208-H278 PolarHBondContact OD1-NE2 3.2Å; V211-H278 HydrophobicContact CG1-CB 4.44Å; A274-H278 PolarHBondContact O-N 3.29Å; L275-H278 PolarHBondContact O-N 3.45Å
279I79.1Confident72.1Confident139 Ų13978.9 Ų78.971%0.71347%0.466SS*.  trans-117.2121.6178.5-57.5176.9000108.5
280S77.7Confident69.3Low42 Ų4283.6 Ų83.629%0.29450%0.501SS..  trans-62123.4176.8-1750000110.6D208 V282D208-S280 WeakPolarHBondContact OD1-CB 3.31Å; D208-S280 PolarHBondContact OD1-OG 3.22Å; D208-S280 WeakPolarHBondContact OD2-CB 3.33Å; D208-S280 PolarHBondContact OD2-OG 2.97Å; S280-V282 PolarHBondContact O-N 3.26Å; S280-V282 VanDerWaalsContact O-N 3.08Å
281P80.1Confident66.5Low11 Ų1183.9 Ų83.97%0.07151%0.512CS..  trans-74.2101.6-178.328.7-34000111.2S204 Y207 F244 P260 L262S204-P281 WeakPolarHBondContact CB-O 3.08Å; S204-P281 PolarHBondContact OG-O 3.08Å; Y207-P281 HydrophobicContact CD1-CG 3.72Å; Y207-P281 HydrophobicContact CE1-CG 4.34Å; F244-P281 HydrophobicContact CE2-CB 4.08Å; F244-P281 HydrophobicContact CE2-CG 4.49Å; P260-P281 HydrophobicContact CB-CB 4.24Å; P260-P281 HydrophobicContact CG-CB 3.58Å; L262-P281 HydrophobicContact CD2-CB 4.16Å; L262-P281 HydrophobicContact CD2-CG 4.22Å
282V78.6Confident64.5Low102 Ų10283.9 Ų83.962%0.61853%0.526SS*.PPolyproline II helixtrans-86.9117.7176.2-176.40000110.7S280 V284S280-V282 PolarHBondContact O-N 3.26Å; S280-V282 VanDerWaalsContact O-N 3.08Å; V282-V284 HydrophobicContact CG1-CG2 4.16Å
283V78.8Confident62.4Low18 Ų1887.5 Ų87.511%0.10953%0.534CS..PPolyproline II helixtrans-86.2118.7170.11750000108.4I200 L201 S204 I257 Q258 P260I200-V283 HydrophobicContact CG2-CG1 4.29Å; I200-V283 HydrophobicContact CG2-CG2 3.79Å; L201-V283 HydrophobicContact CD2-CB 3.86Å; L201-V283 HydrophobicContact CD2-CG1 3.69Å; L201-V283 HydrophobicContact CG-CG1 4.44Å; S204-V283 WeakPolarHBondContact OG-CG2 3.49Å; I257-V283 HydrophobicContact CB-CG1 4.1Å; I257-V283 HydrophobicContact CD1-CG1 4.47Å; I257-V283 HydrophobicContact CG2-CG1 4.31Å; Q258-V283 WeakPolarHBondContact O-CA 3.26Å; P260-V283 HydrophobicContact CG-CG2 4.32Å
284V79.6Confident60.3Low69 Ų6991.1 Ų91.142%0.41856%0.559SS.*BIsolated β-bridgetrans-99.9128.5-176.9-177.30000110.1Q258 V282Q258-V284 HydrophobicContact CB-CB 4.24Å; Q258-V284 PolarHBondContact N-O 2.96Å; Q258-V284 PolarHBondContact O-N 3.46Å; Q258-V284 VanDerWaalsContact O-N 3.09Å; V282-V284 HydrophobicContact CG1-CG2 4.16Å
285I75.1Confident58.2Low112 Ų11299.7 Ų99.757%0.57460%0.598SS**PPolyproline II helixtrans-90118.6169.5-52-177.9000107.3I257 A287I257-I285 HydrophobicContact CG2-CG1 4.19Å; I285-A287 PolarHBondContact O-N 2.83Å
286P54.6Low56.1Low71 Ų71102.1 Ų102.146%0.46162%0.618SS.*PPolyproline II helixtrans-62.1131.8177.1-21.834.1000111.1L256 E288L256-P286 VanDerWaalsContact O-CD 3.3Å; L256-P286 WeakPolarHBondContact O-CD 3.4Å; P286-E288 PolarHBondContact O-N 3.34Å
287A41.9Very low54Low100 Ų100104.1 Ų104.183%0.82663%0.626SS**PPolyproline II helixtrans-67.6126.717200000109.9I285 A289I285-A287 PolarHBondContact O-N 2.83Å; A287-A289 PolarHBondContact O-N 3.2Å
288E40.7Very low51.8Low193 Ų193106 Ų10690%0.90264%0.639SS**PPolyproline II helixtrans-62.8131.6173.7-67.3-171.6128.700110.1P286 S290P286-E288 PolarHBondContact O-N 3.34Å; E288-S290 PolarHBondContact O-N 3.04Å
289A31.8Very low49.2Very low105 Ų105113.9 Ų113.987%0.86868%0.675SS**PPolyproline II helixtrans-61.9127.9172.100000109.5A287A287-A289 PolarHBondContact O-N 3.2Å
290S31Very low46.8Very low114 Ų114114.5 Ų114.580%0.79767%0.673SS**PPolyproline II helixtrans-70.3134.7-164.740.10000113.9E288E288-S290 PolarHBondContact O-N 3.04Å
291S27.5Very low44.4Very low113 Ų113119.5 Ų119.579%0.7970%0.697SS**PPolyproline II helixtrans-79.8130.9156.2-172.70000108.4D293S291-D293 PolarHBondContact O-N 3.45Å
292P41.2Very low42Very low113 Ų113123.7 Ų123.773%0.73472%0.718SS**  trans-81.5111.4-179.831.2-32.3000111
293D30.8Very low39.6Very low161 Ų161125.1 Ų125.186%0.86172%0.722SS**  trans-174.592.2155.5-103.2-25.2000110.8S291S291-D293 PolarHBondContact O-N 3.45Å
294S30.8Very low37.3Very low127 Ų127132 Ų13289%0.88876%0.755SS**  trans166.6120.9152.2-76.10000109.9
295E30.1Very low34.8Very low187 Ų187136.1 Ų136.187%0.87477%0.774SS**  trans-79.3156.4173.9-73.9-170.7138.200112.5
296P35.4Very low32.6Very low125 Ų125138.4 Ų138.481%0.81279%0.785SS**  trans-82.7151.2-178.234-35.8000113.1
297V29.8Very low31.2Very low146 Ų146142 Ų14289%0.88580%0.8SS**  trans-125.6141.2168.3-179.30000110
298L29.8Very low30.4Very low148 Ų148140.6 Ų140.678%0.77579%0.788SS**  trans-81.5152.5-165.9-62.3145.7000114
299E29.3Very low29.8Very low195 Ų195136.4 Ų136.491%0.91178%0.78SS**  trans-165.898.9130.1-105.1164-158.100106.5
300K28.6Very low29.5Very low152 Ų152139.2 Ų139.266%0.66178%0.775SS**  61.7106.775.5-109.9-170.5160.9-82.70115.3D302K300-D302 IonicContact NZ-OD1 2.66Å; K300-D302 PolarHBondContact NZ-OD1 2.91Å
301D27.4Very low29.4Very low148 Ų148141.4 Ų141.479%0.79177%0.773SS**  -157120.6112.1-99.1-13.8000110.3
302D29.1Very low29.3Very low99 Ų99143.1 Ų143.153%0.52977%0.773SS.*  40.8136.8116.2-70.736.2000119.5K300K300-D302 IonicContact NZ-OD1 2.66Å; K300-D302 PolarHBondContact NZ-OD1 2.91Å
303L29.1Very low28.6Very low131 Ų131144.4 Ų144.469%0.68677%0.773SS**  cis-161.4154.514.1-107.9155.1000113.2
304M30.6Very low28.3Very low164 Ų164145.1 Ų145.181%0.80877%0.769SS**  trans74.1123.3151.9-77.7165.5176.700123.2
305D25.9Very low28.1Very low154 Ų154145.7 Ų145.782%0.82476%0.762SS**  trans-52.8179.6159.6-49.6-83.5000114.8
306M29.7Very low28Very low161 Ų161143.3 Ų143.379%0.79376%0.755SS**  cis-165.3138.225.3-151.1-171.886.600113.9
307D24.7Very low27.7Very low147 Ų147145.6 Ų145.679%0.78675%0.752SS**  trans46.3171.3141.5-157.826.4000124.2
308A26.1Very low27.5Very low70 Ų70148.5 Ų148.558%0.57975%0.754SS**  trans88.980.2151.800000121.5
309S26.5Very low27.6Very low104 Ų104146.7 Ų146.773%0.72775%0.745SS**  44.8130.6120.5680000124.3
310Q27Very low27.8Very low164 Ų164144.3 Ų144.377%0.76674%0.738SS**  trans80.2137.4133.3-78.9-170.44.300124
311Q27.8Very low27.9Very low161 Ų161143.1 Ų143.175%0.75274%0.738SS**  trans73.2102.5143.7-69.4177.626.400122.8
312N25.9Very low28Very low149 Ų149146.1 Ų146.180%0.79774%0.744SS**  27.1135.9115.6-82.2-7.7000122.9
313L25.6Very low28Very low139 Ų139144.3 Ų144.373%0.72875%0.748SS**  trans93.1141.4141.2-73.6163.7000121.8
314F25.4Very low28.1Very low177 Ų177144.1 Ų144.178%0.77676%0.758SS**  trans68.5155.5173.8-58.7-74000116.6
315D26.6Very low28.3Very low139 Ų139141.3 Ų141.374%0.74375%0.754SS**  cis-142.3-167.25.8-150.3-14.2000113.6
316N26.8Very low28.4Very low136 Ų136143.3 Ų143.373%0.72776%0.756SS**  trans-96.5168.6-167.5-70.1-97.7000115.6
317K29.7Very low28.7Very low173 Ų173140.8 Ų140.875%0.75275%0.754SS**  trans80.9149.4152.4-81.7-170.2171.5-152.60121.2D319K317-D319 IonicContact NZ-OD1 3.14Å
318F25.4Very low29.3Very low208 Ų208138.4 Ų138.491%0.91275%0.749SS**  trans-160.2126.4172.9-161.2-83.2000105.7
319D32Very low29.5Very low110 Ų110142.4 Ų142.459%0.58876%0.761SS**  trans-141.8160-169.8-48.6-125.8000106.2K317K317-D319 IonicContact NZ-OD1 3.14Å
320D33.8Very low30.5Very low144 Ų144142.4 Ų142.477%0.7776%0.758SS**  cis-161.7-167.316-17313.1000108.9
321I31.6Very low30.7Very low128 Ų128145.1 Ų145.166%0.65677%0.768SS**  trans77123.1157.1-66158.9000115.6
322F29.5Very low30.8Very low211 Ų211144.3 Ų144.393%0.92577%0.769SS**  -168.6152.252.7-132.7-53.7000111.5
323G28.8Very low31.2Very low60 Ų60146.9 Ų146.962%0.61977%0.773SS**  trans131.1109.6138.700000123.4
324S30.4Very low31.6Very low128 Ų128147.4 Ų147.490%0.89578%0.777SS**  trans77.4167.6145.876.70000122.2
325S35.2Very low32.1Very low104 Ų104143.9 Ų143.973%0.72777%0.774SS**  trans-154.8170.7-154.2-48.40000115.4
326F28.9Very low32.5Very low196 Ų196145.4 Ų145.486%0.8678%0.777SS**  trans115.7125.4149.9-73-76.7000121.9
327S35.6Very low33.1Very low108 Ų108146.3 Ų146.376%0.75578%0.782SS**  trans49.6157.314059.10000123.7
328S36.9Very low33.5Very low97 Ų97141.5 Ų141.568%0.67878%0.782SS**  cis-176.5152.9-22.257.40000110.6
329D31.3Very low34.3Very low155 Ų155138 Ų13883%0.82978%0.777SS**  166.6162.7126.5-104.127.7000116.6
330P46Very low35.2Very low103 Ų103139.3 Ų139.367%0.66978%0.784SS**  trans-126.8-179.5-172.444.1-30.1000116.1
331F31.1Very low35.9Very low222 Ų222138.6 Ų138.697%0.97477%0.774SS**  trans-144.6166.5158.9-106.2-79.4000113.3
332N31.1Very low37.3Very low143 Ų143137.3 Ų137.377%0.76577%0.768SS**  trans-133.2163.3-155-17121000113.9
333F33.2Very low38.6Very low203 Ų203136 Ų13689%0.8977%0.765SS**  trans-134.2148.5173.6-118.2-81.6000111.3
334N33.9Very low40Very low150 Ų150140.7 Ų140.780%0.80277%0.768SS**  trans-140.8160.4-179.7-154.60.4000111.7
335S36.2Very low41.5Very low103 Ų103137.3 Ų137.372%0.7274%0.741SS**  trans-114.6156-166.5-49.90000114
336Q36.2Very low43Very low171 Ų171139.2 Ų139.280%0.79974%0.737SS**  165.5160.1126.5-93.3-179.311.900115.4
337N38.2Very low45Very low155 Ų155135.1 Ų135.183%0.82972%0.724SS**  trans72.6151.5157.6-59.5-26000120.2
338G37.5Very low46.6Very low73 Ų73133.8 Ų133.875%0.75371%0.708SS**  trans-172.1169.1174.900000111.9
339V42.6Very low48.3Very low134 Ų134133.7 Ų133.781%0.81270%0.697SS**  trans-161.9145.4168.2137.30000107.7K341V339-K341 PolarHBondContact O-N 2.74Å
340N50.3Low50.5Low137 Ų137135 Ų13573%0.73369%0.69SS**  trans-0.2106.6170.1-50.20.6000115.5
341K50.3Low52.1Low129 Ų129134 Ų13456%0.56168%0.678SS**  cis85.6-98.734.6-151.7175.7-177-179.50115.8V339 E343 K344 D345V339-K341 PolarHBondContact O-N 2.74Å; K341-E343 PolarHBondContact O-N 3.25Å; K341-E343 VanDerWaalsContact O-N 3.12Å; K341-K344 PolarHBondContact O-N 2.9Å; K341-D345 WeakPolarHBondContact CE-OD2 3.38Å; K341-D345 VanDerWaalsContact CG-OD2 3.24Å; K341-D345 WeakPolarHBondContact CG-OD2 3.48Å; K341-D345 IonicContact NZ-OD2 3.96Å; K341-D345 PolarHBondContact O-N 3.36Å
342D60.7Low54.2Low101 Ų101131 Ų13154%0.5466%0.662SS.*Hα-helixtrans-62.6-34.2-145-49.6-53.5000117
343E57Low56.5Low184 Ų184132.3 Ų132.386%0.8666%0.656SS**Hα-helixtrans-73.8-28.3177.5-67.2-170.4151.700113.8K341K341-E343 PolarHBondContact O-N 3.25Å; K341-E343 VanDerWaalsContact O-N 3.12Å
344K57.6Low58.8Low158 Ų158128.3 Ų128.369%0.68764%0.64SS**Hα-helixtrans-76.8-42.3175.5-72.2-179.5179.71730110.5K341 H346 L347 I348K341-K344 PolarHBondContact O-N 2.9Å; K344-H346 VanDerWaalsContact C-N 3.26Å; K344-H346 PolarHBondContact O-N 3Å; K344-L347 PolarHBondContact O-N 2.84Å; K344-L347 VanDerWaalsContact O-N 3.17Å; K344-I348 HydrophobicContact CB-CD1 4.09Å; K344-I348 VanDerWaalsContact O-CB 3.32Å; K344-I348 WeakPolarHBondContact O-CB 3.37Å; K344-I348 VanDerWaalsContact O-CG1 3.23Å; K344-I348 WeakPolarHBondContact O-CG1 3.43Å; K344-I348 PolarHBondContact O-N 2.83Å
345D61.5Low61Low58 Ų58125.1 Ų125.131%0.3162%0.622SS.*Hα-helixtrans-58.2-34.5-175.9-77.825.1000112.7K341 E349K341-D345 WeakPolarHBondContact CE-OD2 3.38Å; K341-D345 VanDerWaalsContact CG-OD2 3.24Å; K341-D345 WeakPolarHBondContact CG-OD2 3.48Å; K341-D345 IonicContact NZ-OD2 3.96Å; K341-D345 PolarHBondContact O-N 3.36Å; D345-E349 WeakPolarHBondContact O-CB 3.28Å; D345-E349 PolarHBondContact O-N 2.74Å
346H66.4Low62.9Low143 Ų143123.5 Ų123.566%0.66261%0.611SS**Hα-helixtrans-72.2-37176.9-74-7.6000114.7K344 R350K344-H346 VanDerWaalsContact C-N 3.26Å; K344-H346 PolarHBondContact O-N 3Å; H346-R350 PolarHBondContact O-N 2.89Å
347L71.2Confident65.2Low111 Ų111117.1 Ų117.158%0.58159%0.591SS**Hα-helixtrans-73-38.7173.5-177.860.7000110.8K344 R350 L351K344-L347 PolarHBondContact O-N 2.84Å; K344-L347 VanDerWaalsContact O-N 3.17Å; L347-R350 PolarHBondContact O-N 2.98Å; L347-L351 HydrophobicContact CD1-CD1 4.44Å; L347-L351 HydrophobicContact CG-CD1 4.28Å; L347-L351 PolarHBondContact O-N 2.78Å
348I68.5Low67.4Low79 Ų79114.8 Ų114.841%0.40558%0.578SS.*Hα-helixtrans-56.2-51.7171.5-74.5170.3000109.9K344 R350 L351 Y352K344-I348 HydrophobicContact CB-CD1 4.09Å; K344-I348 VanDerWaalsContact O-CB 3.32Å; K344-I348 WeakPolarHBondContact O-CB 3.37Å; K344-I348 VanDerWaalsContact O-CG1 3.23Å; K344-I348 WeakPolarHBondContact O-CG1 3.43Å; K344-I348 PolarHBondContact O-N 2.83Å; I348-R350 PolarHBondContact O-N 3.39Å; I348-L351 PolarHBondContact O-N 2.97Å; I348-Y352 HydrophobicContact CG2-CD2 3.58Å; I348-Y352 HydrophobicContact CG2-CE2 3.73Å; I348-Y352 WeakPolarHBondContact O-CB 3.33Å; I348-Y352 WeakPolarHBondContact O-CD2 3.46Å; I348-Y352 PolarHBondContact O-N 3.3Å
349E73Confident69.4Low96 Ų96117.8 Ų117.845%0.44957%0.57SS.*Hα-helixtrans-58-43.2-179.6-97.5-155.2-148.800113.4D345 Y352 R353D345-E349 WeakPolarHBondContact O-CB 3.28Å; D345-E349 PolarHBondContact O-N 2.74Å; E349-Y352 PolarHBondContact O-N 2.86Å; E349-R353 WeakPolarHBondContact O-CG 3.33Å; E349-R353 PolarHBondContact O-N 3.24Å; E349-R353 IonicContact OE2-CZ 2.9Å; E349-R353 IonicContact OE2-NE 3.59Å; E349-R353 IonicContact OE2-NH2 3.87Å; E349-R353 PolarHBondContact OE2-NH2 3.48Å
350R78.8Confident71.4Confident182 Ų182114 Ų11469%0.68755%0.553SS**Hα-helixtrans-60.2-50.4177.2176173.3-79.3166.5-4.5110.9H346 L347 I348 Y352 R353 E354H346-R350 PolarHBondContact O-N 2.89Å; L347-R350 PolarHBondContact O-N 2.98Å; I348-R350 PolarHBondContact O-N 3.39Å; R350-Y352 PolarHBondContact O-N 2.94Å; R350-R353 PolarHBondContact O-N 2.89Å; R350-E354 PolarHBondContact O-N 3.42Å; R350-E354 VanDerWaalsContact O-N 3.08Å
351L77.9Confident73Confident82 Ų82113.7 Ų113.743%0.42955%0.547SS..Hα-helixtrans-65.9-36.8179.7-68.3171.4000111.9L347 I348 E354 I355L347-L351 HydrophobicContact CD1-CD1 4.44Å; L347-L351 HydrophobicContact CG-CD1 4.28Å; L347-L351 PolarHBondContact O-N 2.78Å; I348-L351 PolarHBondContact O-N 2.97Å; L351-E354 PolarHBondContact O-N 3.05Å; L351-I355 VanDerWaalsContact O-CB 3.24Å; L351-I355 WeakPolarHBondContact O-CB 3.48Å; L351-I355 WeakPolarHBondContact O-CD1 3.43Å; L351-I355 WeakPolarHBondContact O-CG1 3.29Å; L351-I355 PolarHBondContact O-N 3Å
352Y75.9Confident74.6Confident158 Ų158113.1 Ų113.162%0.6255%0.55SS*.Hα-helixtrans-65.9-38175.8-96.9-101.9000112.5I348 E349 R350 S356I348-Y352 HydrophobicContact CG2-CD2 3.58Å; I348-Y352 HydrophobicContact CG2-CE2 3.73Å; I348-Y352 WeakPolarHBondContact O-CB 3.33Å; I348-Y352 WeakPolarHBondContact O-CD2 3.46Å; I348-Y352 PolarHBondContact O-N 3.3Å; E349-Y352 PolarHBondContact O-N 2.86Å; R350-Y352 PolarHBondContact O-N 2.94Å; Y352-S356 VanDerWaalsContact O-CB 3.23Å; Y352-S356 WeakPolarHBondContact O-CB 3.47Å; Y352-S356 PolarHBondContact O-N 3.44Å; Y352-S356 PolarHBondContact O-OG 2.84Å
353R80.2Confident75.6Confident172 Ų172112.3 Ų112.365%0.64954%0.543SS*.Hα-helixtrans-65.9-43.6173.5-68.9178.8-150.7-1786.1111.6E349 R350 S356 G357E349-R353 WeakPolarHBondContact O-CG 3.33Å; E349-R353 PolarHBondContact O-N 3.24Å; E349-R353 IonicContact OE2-CZ 2.9Å; E349-R353 IonicContact OE2-NE 3.59Å; E349-R353 IonicContact OE2-NH2 3.87Å; E349-R353 PolarHBondContact OE2-NH2 3.48Å; R350-R353 PolarHBondContact O-N 2.89Å; R353-S356 PolarHBondContact O-N 2.9Å; R353-G357 PolarHBondContact O-N 2.85Å
354E81.5Confident77Confident118 Ų118109.2 Ų109.255%0.55153%0.532SS*.Hα-helixtrans-67.8-44.2-179.4-164.6160.2-128.300111.9R350 L351 S356 G357 L358R350-E354 PolarHBondContact O-N 3.42Å; R350-E354 VanDerWaalsContact O-N 3.08Å; L351-E354 PolarHBondContact O-N 3.05Å; E354-S356 VanDerWaalsContact C-N 3.3Å; E354-S356 PolarHBondContact O-N 3.29Å; E354-G357 PolarHBondContact O-N 2.74Å; E354-L358 WeakPolarHBondContact O-CG 3.27Å; E354-L358 PolarHBondContact O-N 2.96Å
355I78.6Confident78.3Confident84 Ų84108.6 Ų108.643%0.43153%0.533SS..Hα-helixtrans-61.5-37171-70.2166.4000111.2L351 K359L351-I355 VanDerWaalsContact O-CB 3.24Å; L351-I355 WeakPolarHBondContact O-CB 3.48Å; L351-I355 WeakPolarHBondContact O-CD1 3.43Å; L351-I355 WeakPolarHBondContact O-CG1 3.29Å; L351-I355 PolarHBondContact O-N 3Å; I355-K359 HydrophobicContact CG2-CD 3.98Å; I355-K359 HydrophobicContact CG2-CG 4.41Å; I355-K359 VanDerWaalsContact O-CB 3.31Å; I355-K359 WeakPolarHBondContact O-CB 3.27Å; I355-K359 VanDerWaalsContact O-CG 3.23Å; I355-K359 WeakPolarHBondContact O-CG 3.41Å; I355-K359 PolarHBondContact O-N 3.32Å
356S77.7Confident79.6Confident69 Ų69110.2 Ų110.248%0.48354%0.537SS..Hα-helixtrans-68.2-40.5176.1-61.50000112Y352 R353 E354 K359 A360Y352-S356 VanDerWaalsContact O-CB 3.23Å; Y352-S356 WeakPolarHBondContact O-CB 3.47Å; Y352-S356 PolarHBondContact O-N 3.44Å; Y352-S356 PolarHBondContact O-OG 2.84Å; R353-S356 PolarHBondContact O-N 2.9Å; E354-S356 VanDerWaalsContact C-N 3.3Å; E354-S356 PolarHBondContact O-N 3.29Å; S356-K359 PolarHBondContact O-N 3.27Å; S356-A360 WeakPolarHBondContact O-CB 3.24Å; S356-A360 PolarHBondContact O-N 3.17Å
357G83.8Confident80.4Confident36 Ų36106.9 Ų106.937%0.37153%0.527SS..Hα-helixtrans-62.1-46.7174.200000112.5R353 E354 A360 Q361R353-G357 PolarHBondContact O-N 2.85Å; E354-G357 PolarHBondContact O-N 2.74Å; G357-A360 PolarHBondContact O-N 2.64Å; G357-Q361 WeakPolarHBondContact O-CG 3.11Å; G357-Q361 PolarHBondContact O-N 2.99Å
358L84.6Confident81.2Confident107 Ų107105.8 Ų105.856%0.5652%0.519SS*.Hα-helixtrans-65.6-38.1176.3-70.5171.3000112.3E354 Q361 L362E354-L358 WeakPolarHBondContact O-CG 3.27Å; E354-L358 PolarHBondContact O-N 2.96Å; L358-Q361 PolarHBondContact O-N 3.08Å; L358-L362 WeakPolarHBondContact O-CB 3.45Å; L358-L362 PolarHBondContact O-N 2.88Å
359K80.4Confident82Confident136 Ų136105.6 Ų105.659%0.59153%0.525SS*.Hα-helixtrans-63.4-40.6172.7-78.8174.5178.3-179.80112.5I355 S356 L362 E363I355-K359 HydrophobicContact CG2-CD 3.98Å; I355-K359 HydrophobicContact CG2-CG 4.41Å; I355-K359 VanDerWaalsContact O-CB 3.31Å; I355-K359 WeakPolarHBondContact O-CB 3.27Å; I355-K359 VanDerWaalsContact O-CG 3.23Å; I355-K359 WeakPolarHBondContact O-CG 3.41Å; I355-K359 PolarHBondContact O-N 3.32Å; S356-K359 PolarHBondContact O-N 3.27Å; K359-L362 PolarHBondContact O-N 3.13Å; K359-E363 PolarHBondContact O-N 3.36Å
360A82.8Confident82.6Confident55 Ų55105.9 Ų105.946%0.45553%0.526SS..Hα-helixtrans-65.3-39.9176.400000112.1S356 G357 N364S356-A360 WeakPolarHBondContact O-CB 3.24Å; S356-A360 PolarHBondContact O-N 3.17Å; G357-A360 PolarHBondContact O-N 2.64Å; A360-N364 PolarHBondContact O-N 3.14Å
361Q84.9Confident83.1Confident130 Ų130103.2 Ų103.261%0.60752%0.516SS*.Hα-helixtrans-66.1-41.4173.2-70.5-179.91.400112.2G357 L358 N364 M365G357-Q361 WeakPolarHBondContact O-CG 3.11Å; G357-Q361 PolarHBondContact O-N 2.99Å; L358-Q361 PolarHBondContact O-N 3.08Å; Q361-N364 PolarHBondContact O-N 3.26Å; Q361-M365 WeakPolarHBondContact O-CB 3.11Å; Q361-M365 VanDerWaalsContact O-CG 3.3Å; Q361-M365 WeakPolarHBondContact O-CG 3.49Å; Q361-M365 PolarHBondContact O-N 3.14Å
362L83.1Confident83.7Confident117 Ų117102.4 Ų102.461%0.61351%0.514SS*.Hα-helixtrans-62.4-42.5176.3-16782.8000111.7L358 K359 M365 K366L358-L362 WeakPolarHBondContact O-CB 3.45Å; L358-L362 PolarHBondContact O-N 2.88Å; K359-L362 PolarHBondContact O-N 3.13Å; L362-M365 PolarHBondContact O-N 2.93Å; L362-K366 VanDerWaalsContact O-CB 3.25Å; L362-K366 WeakPolarHBondContact O-CB 3.47Å; L362-K366 PolarHBondContact O-N 3.17Å
363E82.6Confident84.3Confident84 Ų8498.3 Ų98.339%0.39351%0.506SS..Hα-helixtrans-70.3-39.2177.4-75.9-62.4165.600112.4K359 M365 K366 T367K359-E363 PolarHBondContact O-N 3.36Å; E363-M365 VanDerWaalsContact C-N 3.35Å; E363-M365 PolarHBondContact O-N 3.27Å; E363-K366 CarbonylContact O-C 3.59Å; E363-K366 PolarHBondContact O-N 2.98Å; E363-K366 VanDerWaalsContact O-N 3.13Å; E363-K366 IonicContact OE1-NZ 2.72Å; E363-K366 PolarHBondContact OE1-NZ 3.37Å; E363-K366 IonicContact OE2-NZ 2.66Å; E363-K366 PolarHBondContact OE2-NZ 3.38Å; E363-T367 PolarHBondContact O-N 2.96Å; E363-T367 PolarHBondContact O-OG1 3.05Å; E363-T367 VanDerWaalsContact O-OG1 3.12Å
364N86.3Confident84.7Confident118 Ų11896 Ų9663%0.63151%0.505SS*.Hα-helixtrans-59.1-44.8171.8-82.37.4000112.1A360 Q361 K366 T367 E368A360-N364 PolarHBondContact O-N 3.14Å; Q361-N364 PolarHBondContact O-N 3.26Å; N364-K366 VanDerWaalsContact C-N 3.31Å; N364-K366 PolarHBondContact O-N 3.09Å; N364-T367 WeakPolarHBondContact CA-OG1 3.4Å; N364-T367 PolarHBondContact O-N 3.35Å; N364-T367 PolarHBondContact O-OG1 3.16Å; N364-E368 WeakPolarHBondContact O-CB 3.44Å; N364-E368 PolarHBondContact O-N 3.48Å
365M85.3Confident85Confident146 Ų14696.2 Ų96.272%0.71951%0.506SS*.Hα-helixtrans-59.5-41.3173.7-76-90.3-7300112Q361 L362 E363 S369Q361-M365 WeakPolarHBondContact O-CB 3.11Å; Q361-M365 VanDerWaalsContact O-CG 3.3Å; Q361-M365 WeakPolarHBondContact O-CG 3.49Å; Q361-M365 PolarHBondContact O-N 3.14Å; L362-M365 PolarHBondContact O-N 2.93Å; E363-M365 VanDerWaalsContact C-N 3.35Å; E363-M365 PolarHBondContact O-N 3.27Å; M365-S369 VanDerWaalsContact O-CB 3.31Å; M365-S369 WeakPolarHBondContact O-CB 3.4Å; M365-S369 PolarHBondContact O-N 3.09Å
366K87.8Confident85.6Confident92 Ų9297.4 Ų97.440%0.451%0.513SS..Hα-helixtrans-69.6-41.2179.2173.1162.1153.6-89.10112.2L362 E363 N364 Q370L362-K366 VanDerWaalsContact O-CB 3.25Å; L362-K366 WeakPolarHBondContact O-CB 3.47Å; L362-K366 PolarHBondContact O-N 3.17Å; E363-K366 CarbonylContact O-C 3.59Å; E363-K366 PolarHBondContact O-N 2.98Å; E363-K366 VanDerWaalsContact O-N 3.13Å; E363-K366 IonicContact OE1-NZ 2.72Å; E363-K366 PolarHBondContact OE1-NZ 3.37Å; E363-K366 IonicContact OE2-NZ 2.66Å; E363-K366 PolarHBondContact OE2-NZ 3.38Å; N364-K366 VanDerWaalsContact C-N 3.31Å; N364-K366 PolarHBondContact O-N 3.09Å; K366-Q370 WeakPolarHBondContact O-CB 3.44Å; K366-Q370 VanDerWaalsContact O-CG 3.24Å; K366-Q370 WeakPolarHBondContact O-CG 3.47Å; K366-Q370 PolarHBondContact O-N 3.08Å
367T84.6Confident86Confident73 Ų73100.7 Ų100.745%0.44852%0.519SS..Hα-helixtrans-66.4-38.7174.750.40000112.3E363 N364 Q370 R371E363-T367 PolarHBondContact O-N 2.96Å; E363-T367 PolarHBondContact O-OG1 3.05Å; E363-T367 VanDerWaalsContact O-OG1 3.12Å; N364-T367 WeakPolarHBondContact CA-OG1 3.4Å; N364-T367 PolarHBondContact O-N 3.35Å; N364-T367 PolarHBondContact O-OG1 3.16Å; T367-Q370 PolarHBondContact O-N 2.68Å; T367-R371 WeakPolarHBondContact O-CB 3.19Å; T367-R371 PolarHBondContact O-N 2.8Å
368E86.7Confident86.3Confident88 Ų88100.6 Ų100.641%0.41152%0.518SS..Hα-helixtrans-70.9-40.2177.9-174.960.1-169.100111.6N364 Q370 R371 V372N364-E368 WeakPolarHBondContact O-CB 3.44Å; N364-E368 PolarHBondContact O-N 3.48Å; E368-Q370 VanDerWaalsContact C-N 3.34Å; E368-Q370 PolarHBondContact O-N 2.92Å; E368-R371 WeakPolarHBondContact O-CB 3.26Å; E368-R371 PolarHBondContact O-N 3.39Å; E368-R371 VanDerWaalsContact O-N 3.14Å; E368-R371 IonicContact OE1-CZ 3.13Å; E368-R371 IonicContact OE1-NE 3.52Å; E368-R371 PolarHBondContact OE1-NE 3.35Å; E368-R371 IonicContact OE1-NH2 3.84Å; E368-R371 PolarHBondContact OE1-NH2 3.36Å; E368-R371 IonicContact OE2-CZ 2.76Å; E368-R371 IonicContact OE2-NE 2.62Å; E368-R371 PolarHBondContact OE2-NE 2.87Å; E368-R371 IonicContact OE2-NH2 2.81Å; E368-V372 WeakPolarHBondContact O-CG2 3.4Å; E368-V372 PolarHBondContact O-N 3.47Å
369S85.4Confident86.5Confident74 Ų74101.2 Ų101.252%0.51752%0.517SS..Hα-helixtrans-60.6-41.8171.2-174.20000112M365 R371 V372 V373M365-S369 VanDerWaalsContact O-CB 3.31Å; M365-S369 WeakPolarHBondContact O-CB 3.4Å; M365-S369 PolarHBondContact O-N 3.09Å; S369-R371 VanDerWaalsContact C-N 3.34Å; S369-R371 PolarHBondContact O-N 3.25Å; S369-V372 PolarHBondContact O-N 2.81Å; S369-V373 WeakPolarHBondContact O-CG2 3.48Å; S369-V373 PolarHBondContact O-N 3.04Å
370Q86.2Confident87Confident102 Ų10298.3 Ų98.348%0.47751%0.511SS..Hα-helixtrans-63-37.6172.6-75.9173.7-15.600112.6K366 T367 E368 V373 L374K366-Q370 WeakPolarHBondContact O-CB 3.44Å; K366-Q370 VanDerWaalsContact O-CG 3.24Å; K366-Q370 WeakPolarHBondContact O-CG 3.47Å; K366-Q370 PolarHBondContact O-N 3.08Å; T367-Q370 PolarHBondContact O-N 2.68Å; E368-Q370 VanDerWaalsContact C-N 3.34Å; E368-Q370 PolarHBondContact O-N 2.92Å; Q370-V373 PolarHBondContact O-N 3.39Å; Q370-L374 WeakPolarHBondContact O-CB 3.48Å; Q370-L374 WeakPolarHBondContact O-CG 3.3Å; Q370-L374 PolarHBondContact O-N 2.89Å
371R89.2Confident87.2Confident127 Ų12799 Ų9948%0.47951%0.512SS..Hα-helixtrans-63-44.8175.9-164.7176.175.685.51.9111.7T367 E368 S369 L374 Q375T367-R371 WeakPolarHBondContact O-CB 3.19Å; T367-R371 PolarHBondContact O-N 2.8Å; E368-R371 WeakPolarHBondContact O-CB 3.26Å; E368-R371 PolarHBondContact O-N 3.39Å; E368-R371 VanDerWaalsContact O-N 3.14Å; E368-R371 IonicContact OE1-CZ 3.13Å; E368-R371 IonicContact OE1-NE 3.52Å; E368-R371 PolarHBondContact OE1-NE 3.35Å; E368-R371 IonicContact OE1-NH2 3.84Å; E368-R371 PolarHBondContact OE1-NH2 3.36Å; E368-R371 IonicContact OE2-CZ 2.76Å; E368-R371 IonicContact OE2-NE 2.62Å; E368-R371 PolarHBondContact OE2-NE 2.87Å; E368-R371 IonicContact OE2-NH2 2.81Å; S369-R371 VanDerWaalsContact C-N 3.34Å; S369-R371 PolarHBondContact O-N 3.25Å; R371-L374 PolarHBondContact O-N 2.79Å; R371-Q375 PolarHBondContact O-N 3.3Å
372V90Very high87.4Confident65 Ų6597.9 Ų97.939%0.39451%0.507SS..Hα-helixtrans-65.5-42.6175.51750000111.5E368 S369 L374 Q375 L376E368-V372 WeakPolarHBondContact O-CG2 3.4Å; E368-V372 PolarHBondContact O-N 3.47Å; S369-V372 PolarHBondContact O-N 2.81Å; V372-L374 VanDerWaalsContact C-N 3.3Å; V372-L374 PolarHBondContact O-N 3.25Å; V372-Q375 PolarHBondContact O-N 2.89Å; V372-L376 HydrophobicContact CG1-CD1 4.03Å; V372-L376 HydrophobicContact CG1-CG 4.45Å; V372-L376 WeakPolarHBondContact O-CG 3.07Å; V372-L376 PolarHBondContact O-N 2.96Å
373V89.3Confident87.7Confident72 Ų7297.5 Ų97.544%0.43651%0.505SS..Hα-helixtrans-62.6-35.7175.5168.80000111.9S369 Q370 K377S369-V373 WeakPolarHBondContact O-CG2 3.48Å; S369-V373 PolarHBondContact O-N 3.04Å; Q370-V373 PolarHBondContact O-N 3.39Å; V373-K377 HydrophobicContact CG1-CD 4.46Å; V373-K377 WeakPolarHBondContact O-CB 3.38Å; V373-K377 WeakPolarHBondContact O-CG 3.24Å; V373-K377 PolarHBondContact O-N 3.47Å
374L87.8Confident87.9Confident123 Ų12399.1 Ų99.164%0.64451%0.513SS*.Hα-helixtrans-67-43.3173.9-80.5163.8000112.3Q370 R371 V372 K377 G378Q370-L374 WeakPolarHBondContact O-CB 3.48Å; Q370-L374 WeakPolarHBondContact O-CG 3.3Å; Q370-L374 PolarHBondContact O-N 2.89Å; R371-L374 PolarHBondContact O-N 2.79Å; V372-L374 VanDerWaalsContact C-N 3.3Å; V372-L374 PolarHBondContact O-N 3.25Å; L374-K377 PolarHBondContact O-N 3.31Å; L374-G378 PolarHBondContact O-N 3Å
375Q88.3Confident88Confident122 Ų12296.2 Ų96.257%0.5751%0.505SS*.Hα-helixtrans-62.7-44.5175.2-70.4-169.5-86.500112.1R371 V372 K377 G378 H379R371-Q375 PolarHBondContact O-N 3.3Å; V372-Q375 PolarHBondContact O-N 2.89Å; Q375-K377 VanDerWaalsContact C-N 3.32Å; Q375-K377 PolarHBondContact O-N 2.89Å; Q375-G378 PolarHBondContact O-N 2.99Å; Q375-H379 PolarHBondContact O-N 3.29Å
376L90Very high88.2Confident109 Ų10993.6 Ų93.657%0.57149%0.494SS*.Hα-helixtrans-63.2-37177.4-71.6171.6000112.3V372 H379 V380V372-L376 HydrophobicContact CG1-CD1 4.03Å; V372-L376 HydrophobicContact CG1-CG 4.45Å; V372-L376 WeakPolarHBondContact O-CG 3.07Å; V372-L376 PolarHBondContact O-N 2.96Å; L376-H379 PolarHBondContact O-N 3.22Å; L376-V380 WeakPolarHBondContact O-CG2 3.34Å; L376-V380 PolarHBondContact O-N 2.83Å
377K87.9Confident88.3Confident139 Ų13994 Ų9460%0.60450%0.5SS*.Hα-helixtrans-65.5-40.3173.3-78.6-177.1174.9-166.70112.8V373 L374 Q375 V380 S381V373-K377 HydrophobicContact CG1-CD 4.46Å; V373-K377 WeakPolarHBondContact O-CB 3.38Å; V373-K377 WeakPolarHBondContact O-CG 3.24Å; V373-K377 PolarHBondContact O-N 3.47Å; L374-K377 PolarHBondContact O-N 3.31Å; Q375-K377 VanDerWaalsContact C-N 3.32Å; Q375-K377 PolarHBondContact O-N 2.89Å; K377-V380 PolarHBondContact O-N 3.49Å; K377-S381 PolarHBondContact O-N 3.1Å; K377-S381 PolarHBondContact O-OG 2.92Å
378G89.1Confident88.4Confident34 Ų3493.2 Ų93.235%0.35150%0.501SS..Hα-helixtrans-56.9-50.7173.200000111.5L374 Q375 V380 S381 E382L374-G378 PolarHBondContact O-N 3Å; Q375-G378 PolarHBondContact O-N 2.99Å; G378-V380 VanDerWaalsContact C-N 3.32Å; G378-V380 PolarHBondContact O-N 2.65Å; G378-S381 PolarHBondContact O-N 3.37Å; G378-S381 VanDerWaalsContact O-N 3.12Å; G378-E382 WeakPolarHBondContact O-CG 3.27Å; G378-E382 PolarHBondContact O-N 3.12Å
379H89.7Confident88.6Confident119 Ų11994.7 Ų94.755%0.55151%0.508SS*.Hα-helixtrans-64.9-31.5-179.9-129.133000113.8Q375 L376 E382 L383Q375-H379 PolarHBondContact O-N 3.29Å; L376-H379 PolarHBondContact O-N 3.22Å; H379-E382 WeakPolarHBondContact CA-OE2 3.43Å; H379-E382 IonicContact CE1-OE2 3.15Å; H379-E382 IonicContact CG-OE2 2.63Å; H379-E382 IonicContact ND1-OE2 2.86Å; H379-E382 PolarHBondContact ND1-OE2 2.82Å; H379-L383 VanDerWaalsContact O-CG 3.32Å; H379-L383 WeakPolarHBondContact O-CG 3.22Å; H379-L383 PolarHBondContact O-N 3.11Å; H379-L383 VanDerWaalsContact O-N 3.13Å
380V90Very high88.7Confident75 Ų7597 Ų9746%0.45551%0.51SS..Hα-helixtrans-65.7-47.2171.1167.30000110.7L376 K377 G378 E382 L383 E384L376-V380 WeakPolarHBondContact O-CG2 3.34Å; L376-V380 PolarHBondContact O-N 2.83Å; K377-V380 PolarHBondContact O-N 3.49Å; G378-V380 VanDerWaalsContact C-N 3.32Å; G378-V380 PolarHBondContact O-N 2.65Å; V380-E382 VanDerWaalsContact C-N 3.33Å; V380-E382 PolarHBondContact O-N 3.09Å; V380-L383 PolarHBondContact O-N 3.47Å; V380-E384 HydrophobicContact CG1-CG 4.25Å; V380-E384 WeakPolarHBondContact O-CB 3.29Å; V380-E384 VanDerWaalsContact O-CG 3.29Å; V380-E384 WeakPolarHBondContact O-CG 3.3Å; V380-E384 PolarHBondContact O-N 3.18Å
381S87.6Confident88.8Confident69 Ų6997.5 Ų97.548%0.48351%0.513SS..Hα-helixtrans-70-26.6179.4-64.60000114.1K377 G378 E384 A385K377-S381 PolarHBondContact O-N 3.1Å; K377-S381 PolarHBondContact O-OG 2.92Å; G378-S381 PolarHBondContact O-N 3.37Å; G378-S381 VanDerWaalsContact O-N 3.12Å; S381-E384 PolarHBondContact OG-OE2 3.36Å; S381-A385 WeakPolarHBondContact O-CB 3.34Å; S381-A385 PolarHBondContact O-N 2.84Å; S381-A385 VanDerWaalsContact O-N 3.12Å
382E87.8Confident88.8Confident108 Ų10897.3 Ų97.351%0.50552%0.517SS..Hα-helixtrans-63.3-50.9167.5-71.9166.7166.200110.4G378 H379 V380 E384 A385 D386G378-E382 WeakPolarHBondContact O-CG 3.27Å; G378-E382 PolarHBondContact O-N 3.12Å; H379-E382 WeakPolarHBondContact CA-OE2 3.43Å; H379-E382 IonicContact CE1-OE2 3.15Å; H379-E382 IonicContact CG-OE2 2.63Å; H379-E382 IonicContact ND1-OE2 2.86Å; H379-E382 PolarHBondContact ND1-OE2 2.82Å; V380-E382 VanDerWaalsContact C-N 3.33Å; V380-E382 PolarHBondContact O-N 3.09Å; E382-E384 VanDerWaalsContact C-N 3.33Å; E382-E384 PolarHBondContact O-N 3.09Å; E382-A385 WeakPolarHBondContact O-CB 3.47Å; E382-A385 PolarHBondContact O-N 3.01Å; E382-A385 VanDerWaalsContact O-N 3.14Å; E382-D386 PolarHBondContact O-N 3.34Å
383L89.4Confident88.7Confident109 Ų10998 Ų9857%0.57152%0.518SS*.Hα-helixtrans-66.7-30178-69169.6000113.8H379 V380 L387H379-L383 VanDerWaalsContact O-CG 3.32Å; H379-L383 WeakPolarHBondContact O-CG 3.22Å; H379-L383 PolarHBondContact O-N 3.11Å; H379-L383 VanDerWaalsContact O-N 3.13Å; V380-L383 PolarHBondContact O-N 3.47Å; L383-L387 VanDerWaalsContact O-CB 3.23Å; L383-L387 WeakPolarHBondContact O-CB 3.46Å; L383-L387 PolarHBondContact O-N 3.14Å
384E88.3Confident88.6Confident117 Ų117103.3 Ų103.355%0.54753%0.53SS..Hα-helixtrans-68.1-36.3172.4-73.8170.3153.300111.6V380 S381 E382 A388V380-E384 HydrophobicContact CG1-CG 4.25Å; V380-E384 WeakPolarHBondContact O-CB 3.29Å; V380-E384 VanDerWaalsContact O-CG 3.29Å; V380-E384 WeakPolarHBondContact O-CG 3.3Å; V380-E384 PolarHBondContact O-N 3.18Å; S381-E384 PolarHBondContact OG-OE2 3.36Å; E382-E384 VanDerWaalsContact C-N 3.33Å; E382-E384 PolarHBondContact O-N 3.09Å; E384-A388 PolarHBondContact O-N 3.11Å; E384-A388 VanDerWaalsContact O-N 3.13Å
385A88.4Confident88.6Confident57 Ų57101.9 Ų101.947%0.47152%0.52SS..Hα-helixtrans-70.4-47.9174.900000111.9S381 E382 L387 A388 E389S381-A385 WeakPolarHBondContact O-CB 3.34Å; S381-A385 PolarHBondContact O-N 2.84Å; S381-A385 VanDerWaalsContact O-N 3.12Å; E382-A385 WeakPolarHBondContact O-CB 3.47Å; E382-A385 PolarHBondContact O-N 3.01Å; E382-A385 VanDerWaalsContact O-N 3.14Å; A385-L387 VanDerWaalsContact C-N 3.27Å; A385-L387 PolarHBondContact O-N 3.11Å; A385-A388 WeakPolarHBondContact O-CB 3.37Å; A385-A388 PolarHBondContact O-N 3.49Å; A385-A388 VanDerWaalsContact O-N 3.07Å; A385-E389 PolarHBondContact O-N 2.84Å
386D88.9Confident88.5Confident91 Ų91100.4 Ų100.449%0.48751%0.514SS..Hα-helixtrans-55.3-43.9174.8-72.9-4.3000111.1E382 A388 E389 Q390E382-D386 PolarHBondContact O-N 3.34Å; D386-A388 VanDerWaalsContact C-N 3.34Å; D386-A388 PolarHBondContact O-N 3.33Å; D386-E389 PolarHBondContact O-N 3.13Å; D386-Q390 WeakPolarHBondContact O-CG 3.46Å; D386-Q390 PolarHBondContact O-N 3.34Å
387L89Confident88.2Confident102 Ų10297.8 Ų97.853%0.53451%0.507SS..Hα-helixtrans-65-36.4178.2-179.660.7000112.4L383 A385 Q391L383-L387 VanDerWaalsContact O-CB 3.23Å; L383-L387 WeakPolarHBondContact O-CB 3.46Å; L383-L387 PolarHBondContact O-N 3.14Å; A385-L387 VanDerWaalsContact C-N 3.27Å; A385-L387 PolarHBondContact O-N 3.11Å; L387-Q391 WeakPolarHBondContact O-CB 3.5Å; L387-Q391 VanDerWaalsContact O-CG 3.26Å; L387-Q391 WeakPolarHBondContact O-CG 3.4Å; L387-Q391 PolarHBondContact O-N 3.07Å
388A87.9Confident88.1Confident56 Ų5693.4 Ų93.446%0.46350%0.497SS..Hα-helixtrans-68.8-40.6175.500000112E384 A385 D386 Q391 H392E384-A388 PolarHBondContact O-N 3.11Å; E384-A388 VanDerWaalsContact O-N 3.13Å; A385-A388 WeakPolarHBondContact O-CB 3.37Å; A385-A388 PolarHBondContact O-N 3.49Å; A385-A388 VanDerWaalsContact O-N 3.07Å; D386-A388 VanDerWaalsContact C-N 3.34Å; D386-A388 PolarHBondContact O-N 3.33Å; A388-Q391 PolarHBondContact O-N 2.84Å; A388-H392 PolarHBondContact O-N 3.02Å
389E90.6Very high88Confident119 Ų11995.6 Ų95.656%0.55650%0.501SS*.Hα-helixtrans-63-46174.5-174.7176.3-169.500111.3A385 D386 Q391 H392 L393A385-E389 PolarHBondContact O-N 2.84Å; D386-E389 PolarHBondContact O-N 3.13Å; E389-Q391 VanDerWaalsContact C-N 3.28Å; E389-Q391 PolarHBondContact O-N 3.49Å; E389-H392 PolarHBondContact O-N 2.83Å; E389-H392 VanDerWaalsContact O-N 3.16Å; E389-L393 HydrophobicContact CG-CD1 4.1Å; E389-L393 HydrophobicContact CG-CG 4.45Å; E389-L393 WeakPolarHBondContact O-CG 3.39Å; E389-L393 PolarHBondContact O-N 3.48Å
390Q86.7Confident87.8Confident122 Ų12294 Ų9457%0.5750%0.497SS*.Hα-helixtrans-62.4-33.8175.9-68.1-59-55.400112.6D386 R394D386-Q390 WeakPolarHBondContact O-CG 3.46Å; D386-Q390 PolarHBondContact O-N 3.34Å; Q390-R394 VanDerWaalsContact O-CB 3.29Å; Q390-R394 WeakPolarHBondContact O-CB 3.39Å; Q390-R394 PolarHBondContact O-N 3.32Å; Q390-R394 VanDerWaalsContact O-N 3.1Å
391Q88Confident87.4Confident112 Ų11293.5 Ų93.552%0.52350%0.495SS..Hα-helixtrans-68.2-42.1173-75.6175.63000112.2L387 A388 E389 R394 Q395L387-Q391 WeakPolarHBondContact O-CB 3.5Å; L387-Q391 VanDerWaalsContact O-CG 3.26Å; L387-Q391 WeakPolarHBondContact O-CG 3.4Å; L387-Q391 PolarHBondContact O-N 3.07Å; A388-Q391 PolarHBondContact O-N 2.84Å; E389-Q391 VanDerWaalsContact C-N 3.28Å; E389-Q391 PolarHBondContact O-N 3.49Å; Q391-R394 PolarHBondContact O-N 2.94Å; Q391-Q395 PolarHBondContact O-N 3.06Å
392H91Very high87.5Confident124 Ų12496.6 Ų96.657%0.57450%0.502SS*.Hα-helixtrans-61.7-50.7175.9-177.7-78.3000111.7A388 E389 R394 Q395 Q396A388-H392 PolarHBondContact O-N 3.02Å; E389-H392 PolarHBondContact O-N 2.83Å; E389-H392 VanDerWaalsContact O-N 3.16Å; H392-R394 VanDerWaalsContact C-N 3.28Å; H392-R394 PolarHBondContact O-N 3.35Å; H392-Q395 PolarHBondContact O-N 2.73Å; H392-Q395 VanDerWaalsContact O-N 3.08Å; H392-Q396 PolarHBondContact O-N 3.01Å
393L87.1Confident87.5Confident80 Ų8097.9 Ų97.942%0.41951%0.506SS..Hα-helixtrans-58.8-39177.8-70.2171.2000112.1E389 A397E389-L393 HydrophobicContact CG-CD1 4.1Å; E389-L393 HydrophobicContact CG-CG 4.45Å; E389-L393 WeakPolarHBondContact O-CG 3.39Å; E389-L393 PolarHBondContact O-N 3.48Å; L393-A397 WeakPolarHBondContact O-CB 3.46Å; L393-A397 PolarHBondContact O-N 2.78Å
394R86.7Confident87.2Confident182 Ų18297.6 Ų97.669%0.68751%0.505SS*.Hα-helixtrans-69.7-32.8176.2-164.9-160.270.1141.36.1112.7Q390 Q391 H392 A398Q390-R394 VanDerWaalsContact O-CB 3.29Å; Q390-R394 WeakPolarHBondContact O-CB 3.39Å; Q390-R394 PolarHBondContact O-N 3.32Å; Q390-R394 VanDerWaalsContact O-N 3.1Å; Q391-R394 PolarHBondContact O-N 2.94Å; H392-R394 VanDerWaalsContact C-N 3.28Å; H392-R394 PolarHBondContact O-N 3.35Å; R394-A398 PolarHBondContact O-N 2.89Å
395Q88Confident87Confident93 Ų9399.6 Ų99.644%0.43551%0.507SS..Hα-helixtrans-70.1-49.6174.8-173.359.746.900110.5Q391 H392 A397 A398 D399Q391-Q395 PolarHBondContact O-N 3.06Å; H392-Q395 PolarHBondContact O-N 2.73Å; H392-Q395 VanDerWaalsContact O-N 3.08Å; Q395-A397 VanDerWaalsContact C-N 3.3Å; Q395-A397 PolarHBondContact O-N 3.34Å; Q395-A398 WeakPolarHBondContact O-CA 3.46Å; Q395-A398 VanDerWaalsContact O-CB 3.31Å; Q395-A398 WeakPolarHBondContact O-CB 3.43Å; Q395-A398 PolarHBondContact O-N 2.94Å; Q395-D399 PolarHBondContact NE2-OD1 2.67Å; Q395-D399 VanDerWaalsContact O-CG 3.23Å; Q395-D399 PolarHBondContact O-N 3.42Å
396Q86.8Confident86.8Confident92 Ų92100 Ų10043%0.4351%0.511SS..Hα-helixtrans-53.5-46.3176.3-176.8178.6-10.700111.8H392 A398 D399 D400H392-Q396 PolarHBondContact O-N 3.01Å; Q396-A398 PolarHBondContact O-N 3.48Å; Q396-D399 PolarHBondContact O-N 2.98Å; Q396-D400 WeakPolarHBondContact O-CB 3.35Å; Q396-D400 VanDerWaalsContact O-CG 3.3Å; Q396-D400 PolarHBondContact O-N 3.03Å
397A83.9Confident86.7Confident53 Ų53100.2 Ų100.244%0.43851%0.509SS..Hα-helixtrans-66-23.1176.600000114.2L393 Q395 C401L393-A397 WeakPolarHBondContact O-CB 3.46Å; L393-A397 PolarHBondContact O-N 2.78Å; Q395-A397 VanDerWaalsContact C-N 3.3Å; Q395-A397 PolarHBondContact O-N 3.34Å; A397-C401 WeakPolarHBondContact O-CB 3.09Å; A397-C401 PolarHBondContact O-N 3.49Å; A397-C401 PolarHBondContact O-SG 2.96Å
398A85.7Confident86.1Confident48 Ų4899.5 Ų99.540%0.39751%0.505SS..Hα-helixtrans-77.9-42.6172.400000111.3R394 Q395 Q396 C401 E402R394-A398 PolarHBondContact O-N 2.89Å; Q395-A398 WeakPolarHBondContact O-CA 3.46Å; Q395-A398 VanDerWaalsContact O-CB 3.31Å; Q395-A398 WeakPolarHBondContact O-CB 3.43Å; Q395-A398 PolarHBondContact O-N 2.94Å; Q396-A398 PolarHBondContact O-N 3.48Å; A398-C401 CarbonylContact O-C 3.58Å; A398-C401 WeakPolarHBondContact O-CB 3.29Å; A398-C401 PolarHBondContact O-N 3.49Å; A398-E402 PolarHBondContact O-N 2.73Å
399D86.8Confident86Confident79 Ų79100.8 Ų100.842%0.42250%0.504SS..Hα-helixtrans-63-45.1177.3-55.1-24.5000110.7Q395 Q396 C401 E402 F403Q395-D399 PolarHBondContact NE2-OD1 2.67Å; Q395-D399 VanDerWaalsContact O-CG 3.23Å; Q395-D399 PolarHBondContact O-N 3.42Å; Q396-D399 PolarHBondContact O-N 2.98Å; D399-C401 VanDerWaalsContact C-N 3.28Å; D399-C401 PolarHBondContact O-N 2.88Å; D399-E402 PolarHBondContact O-N 2.66Å; D399-E402 VanDerWaalsContact O-N 3.08Å; D399-F403 PolarHBondContact O-N 2.77Å
400D85.7Confident85.8Confident87 Ų8799.5 Ų99.547%0.46550%0.498SS..Hα-helixtrans-57.9-39.7172.6-71.7-27.6000111.6Q396 E402 L404Q396-D400 WeakPolarHBondContact O-CB 3.35Å; Q396-D400 VanDerWaalsContact O-CG 3.3Å; Q396-D400 PolarHBondContact O-N 3.03Å; D400-E402 VanDerWaalsContact C-N 3.34Å; D400-L404 WeakPolarHBondContact O-CB 3.31Å; D400-L404 VanDerWaalsContact O-CG 3.31Å; D400-L404 WeakPolarHBondContact O-CG 3.44Å; D400-L404 PolarHBondContact O-N 3.07Å
401C81.8Confident85.3Confident63 Ų6398.3 Ų98.343%0.42650%0.495SS..Hα-helixtrans-72.7-21.8177-84.40000113.8A397 A398 D399 R405A397-C401 WeakPolarHBondContact O-CB 3.09Å; A397-C401 PolarHBondContact O-N 3.49Å; A397-C401 PolarHBondContact O-SG 2.96Å; A398-C401 CarbonylContact O-C 3.58Å; A398-C401 WeakPolarHBondContact O-CB 3.29Å; A398-C401 PolarHBondContact O-N 3.49Å; D399-C401 VanDerWaalsContact C-N 3.28Å; D399-C401 PolarHBondContact O-N 2.88Å; C401-R405 WeakPolarHBondContact O-CG 3.23Å
402E89.6Confident84.9Confident135 Ų13599.4 Ų99.463%0.63150%0.495SS*.Hα-helixtrans-82.5-42.1172.1-171.4158.7-173.500110.9A398 D399 D400 L404 R405 A406A398-E402 PolarHBondContact O-N 2.73Å; D399-E402 PolarHBondContact O-N 2.66Å; D399-E402 VanDerWaalsContact O-N 3.08Å; D400-E402 VanDerWaalsContact C-N 3.34Å; E402-L404 PolarHBondContact O-N 3.5Å; E402-R405 PolarHBondContact O-N 2.93Å; E402-R405 VanDerWaalsContact O-N 3.14Å; E402-A406 PolarHBondContact O-N 2.94Å
403F88.2Confident84.6Confident134 Ų134101.4 Ų101.459%0.58850%0.497SS*.Hα-helixtrans-54-51.3171.5-179.7-89.2000112D399 R405 A406 E407D399-F403 PolarHBondContact O-N 2.77Å; F403-R405 PolarHBondContact O-N 3.09Å; F403-A406 PolarHBondContact O-N 3.13Å; F403-A406 VanDerWaalsContact O-N 3.11Å; F403-E407 PolarHBondContact O-N 3.3Å
404L82.5Confident84.2Confident104 Ų104102.1 Ų102.155%0.54550%0.498SS..Hα-helixtrans-64.6-23.2179.7-72169.9000113.7D400 E402 L408D400-L404 WeakPolarHBondContact O-CB 3.31Å; D400-L404 VanDerWaalsContact O-CG 3.31Å; D400-L404 WeakPolarHBondContact O-CG 3.44Å; D400-L404 PolarHBondContact O-N 3.07Å; E402-L404 PolarHBondContact O-N 3.5Å; L404-L408 WeakPolarHBondContact O-CB 3.41Å; L404-L408 PolarHBondContact O-N 3.22Å
405R83.5Confident83.8Confident158 Ų158100.9 Ų100.960%0.59649%0.494SS*.Hα-helixtrans-76.4-43.9171.2-74176.2-167.5128.75.7111.5C401 E402 F403 E407 L408 D409C401-R405 WeakPolarHBondContact O-CG 3.23Å; E402-R405 PolarHBondContact O-N 2.93Å; E402-R405 VanDerWaalsContact O-N 3.14Å; F403-R405 PolarHBondContact O-N 3.09Å; R405-E407 VanDerWaalsContact C-N 3.32Å; R405-E407 PolarHBondContact O-N 2.95Å; R405-L408 PolarHBondContact O-N 2.96Å; R405-D409 PolarHBondContact O-N 2.89Å
406A85.3Confident83.5Confident66 Ų66101.4 Ų101.455%0.54550%0.496SS..Hα-helixtrans-60.5-43.2176.800000111.4E402 F403 D409 E410E402-A406 PolarHBondContact O-N 2.94Å; F403-A406 PolarHBondContact O-N 3.13Å; F403-A406 VanDerWaalsContact O-N 3.11Å; A406-D409 PolarHBondContact O-N 3.35Å; A406-E410 WeakPolarHBondContact O-CB 3.29Å; A406-E410 PolarHBondContact O-N 2.96Å
407E86.7Confident83.3Confident96 Ų96100.7 Ų100.745%0.44950%0.495SS..Hα-helixtrans-62.1-42.7174.4-172.6174.1-155.400112.1F403 R405 D409 E410 L411F403-E407 PolarHBondContact O-N 3.3Å; R405-E407 VanDerWaalsContact C-N 3.32Å; R405-E407 PolarHBondContact O-N 2.95Å; E407-D409 PolarHBondContact O-N 3.43Å; E407-E410 PolarHBondContact O-N 3.04Å; E407-L411 HydrophobicContact CG-CD1 4.29Å; E407-L411 WeakPolarHBondContact O-CB 3.39Å; E407-L411 VanDerWaalsContact O-CG 3.29Å; E407-L411 WeakPolarHBondContact O-CG 3.35Å; E407-L411 PolarHBondContact O-N 3.1Å
408L76.8Confident82.6Confident87 Ų87102.4 Ų102.446%0.45550%0.501SS..Hα-helixtrans-64.3-39.6177.3-176.467.4000113.1L404 R405 R412L404-L408 WeakPolarHBondContact O-CB 3.41Å; L404-L408 PolarHBondContact O-N 3.22Å; R405-L408 PolarHBondContact O-N 2.96Å; L408-R412 WeakPolarHBondContact O-CD 3.49Å; L408-R412 VanDerWaalsContact O-CG 3.31Å; L408-R412 WeakPolarHBondContact O-CG 3.38Å; L408-R412 PolarHBondContact O-N 3.09Å; L408-R412 VanDerWaalsContact O-N 3.1Å
409D83.9Confident82.3Confident82 Ų82102.8 Ų102.844%0.43949%0.494SS..Hα-helixtrans-76.6-30.7178.7-77.8-30.7000112.8R405 A406 E407 R412 R413R405-D409 PolarHBondContact O-N 2.89Å; A406-D409 PolarHBondContact O-N 3.35Å; E407-D409 PolarHBondContact O-N 3.43Å; D409-R412 WeakPolarHBondContact O-CB 3.46Å; D409-R412 PolarHBondContact O-N 3.14Å; D409-R412 WeakPolarHBondContact OD1-CD 3.4Å; D409-R412 IonicContact OD1-CZ 2.69Å; D409-R412 IonicContact OD1-NE 2.76Å; D409-R412 IonicContact OD1-NH1 3.39Å; D409-R412 PolarHBondContact OD1-NH1 2.73Å; D409-R413 WeakPolarHBondContact O-CG 3.13Å; D409-R413 PolarHBondContact O-N 2.82Å
410E86.8Confident82Confident92 Ų92103.6 Ų103.643%0.4349%0.494SS..Hα-helixtrans-65.4-46168.617752.7-154.100111.5A406 E407 R412 R413 Q414A406-E410 WeakPolarHBondContact O-CB 3.29Å; A406-E410 PolarHBondContact O-N 2.96Å; E407-E410 PolarHBondContact O-N 3.04Å; E410-R412 PolarHBondContact O-N 3.32Å; E410-R413 WeakPolarHBondContact O-CB 3.21Å; E410-R413 PolarHBondContact O-N 2.87Å; E410-Q414 WeakPolarHBondContact O-CG 3.41Å; E410-Q414 PolarHBondContact O-N 3.01Å; E410-Q414 WeakPolarHBondContact OE1-CG 3.38Å; E410-Q414 PolarHBondContact OE1-NE2 3.15Å
411L77.1Confident81.5Confident97 Ų97102.1 Ų102.151%0.50849%0.494SS..Hα-helixtrans-59-31.7173.2-73.1169.2000112.6E407 R415E407-L411 HydrophobicContact CG-CD1 4.29Å; E407-L411 WeakPolarHBondContact O-CB 3.39Å; E407-L411 VanDerWaalsContact O-CG 3.29Å; E407-L411 WeakPolarHBondContact O-CG 3.35Å; E407-L411 PolarHBondContact O-N 3.1Å; L411-R415 WeakPolarHBondContact O-CB 3.5Å; L411-R415 PolarHBondContact O-N 3.3Å
412R79.6Confident80.9Confident136 Ų136105.2 Ų105.251%0.51350%0.502SS..Hα-helixtrans-68.2-44.1172.1-75.2161.4170.6172.2-0112.2L408 D409 E410 R415 E416L408-R412 WeakPolarHBondContact O-CD 3.49Å; L408-R412 VanDerWaalsContact O-CG 3.31Å; L408-R412 WeakPolarHBondContact O-CG 3.38Å; L408-R412 PolarHBondContact O-N 3.09Å; L408-R412 VanDerWaalsContact O-N 3.1Å; D409-R412 WeakPolarHBondContact O-CB 3.46Å; D409-R412 PolarHBondContact O-N 3.14Å; D409-R412 WeakPolarHBondContact OD1-CD 3.4Å; D409-R412 IonicContact OD1-CZ 2.69Å; D409-R412 IonicContact OD1-NE 2.76Å; D409-R412 IonicContact OD1-NH1 3.39Å; D409-R412 PolarHBondContact OD1-NH1 2.73Å; E410-R412 PolarHBondContact O-N 3.32Å; R412-R415 WeakPolarHBondContact O-CB 3.42Å; R412-R415 PolarHBondContact O-N 3.25Å; R412-E416 PolarHBondContact O-N 3.16Å
413R84.8Confident80.3Confident165 Ų165106 Ų10662%0.62350%0.499SS*.Hα-helixtrans-60.2-49.1174.5-67.2-175.479.4119.4-0.1111.3D409 E410 R415 E416 D417D409-R413 WeakPolarHBondContact O-CG 3.13Å; D409-R413 PolarHBondContact O-N 2.82Å; E410-R413 WeakPolarHBondContact O-CB 3.21Å; E410-R413 PolarHBondContact O-N 2.87Å; R413-R415 VanDerWaalsContact C-N 3.26Å; R413-R415 PolarHBondContact O-N 3.09Å; R413-E416 PolarHBondContact O-N 2.66Å; R413-D417 PolarHBondContact O-N 3.17Å
414Q79.2Confident79.7Confident95 Ų95102.6 Ų102.644%0.44449%0.492SS..Hα-helixtrans-57.1-40.1177.4-67.9177.213.200112E410 T418E410-Q414 WeakPolarHBondContact O-CG 3.41Å; E410-Q414 PolarHBondContact O-N 3.01Å; E410-Q414 WeakPolarHBondContact OE1-CG 3.38Å; E410-Q414 PolarHBondContact OE1-NE2 3.15Å; Q414-T418 VanDerWaalsContact O-CB 3.3Å; Q414-T418 WeakPolarHBondContact O-CB 3.28Å; Q414-T418 PolarHBondContact O-N 2.88Å; Q414-T418 PolarHBondContact O-OG1 2.8Å
415R76.9Confident79Confident156 Ų156102.5 Ų102.559%0.58949%0.491SS*.Hα-helixtrans-63-46173.7-170.5-171.9172-64.5-21112.3L411 R412 R413 E419L411-R415 WeakPolarHBondContact O-CB 3.5Å; L411-R415 PolarHBondContact O-N 3.3Å; R412-R415 WeakPolarHBondContact O-CB 3.42Å; R412-R415 PolarHBondContact O-N 3.25Å; R413-R415 VanDerWaalsContact C-N 3.26Å; R413-R415 PolarHBondContact O-N 3.09Å; R415-E419 IonicContact CZ-OE1 3.26Å; R415-E419 IonicContact NH1-OE1 3.59Å; R415-E419 PolarHBondContact NH1-OE1 3.4Å; R415-E419 IonicContact NH2-OE1 2.6Å; R415-E419 PolarHBondContact NH2-OE1 3.33Å; R415-E419 PolarHBondContact O-N 2.93Å; R415-E419 VanDerWaalsContact O-N 3.09Å
416E82.4Confident78.7Confident105 Ų10598.1 Ų98.149%0.49149%0.485SS..Hα-helixtrans-65.1-41.6177-74.1-168.2-173.300113.2R412 R413 T418 E419 K420R412-E416 PolarHBondContact O-N 3.16Å; R413-E416 PolarHBondContact O-N 2.66Å; E416-T418 VanDerWaalsContact C-N 3.33Å; E416-E419 WeakPolarHBondContact O-CB 3.45Å; E416-E419 PolarHBondContact O-N 2.93Å; E416-K420 WeakPolarHBondContact O-CE 3.11Å; E416-K420 VanDerWaalsContact O-CG 3.3Å; E416-K420 WeakPolarHBondContact O-CG 3.49Å; E416-K420 PolarHBondContact O-N 3.1Å; E416-K420 IonicContact OE2-NZ 3.56Å; E416-K420 PolarHBondContact OE2-NZ 3.24Å; E416-K420 VanDerWaalsContact OE2-NZ 3.12Å
417D81.3Confident78.4Confident77 Ų7799.3 Ų99.341%0.41248%0.479SS..Hα-helixtrans-72.8-30.6-178.5-67.7-28.3000111.1R413 K420 A421R413-D417 PolarHBondContact O-N 3.17Å; D417-K420 PolarHBondContact O-N 2.96Å; D417-K420 VanDerWaalsContact OD1-CD 3.29Å; D417-K420 WeakPolarHBondContact OD1-CD 3.13Å; D417-K420 WeakPolarHBondContact OD1-CE 3.19Å; D417-K420 IonicContact OD1-NZ 3.94Å; D417-K420 PolarHBondContact OD1-NZ 3.47Å; D417-A421 WeakPolarHBondContact O-CB 3.37Å; D417-A421 PolarHBondContact O-N 3.32Å
418T71Confident78Confident89 Ų8999.2 Ų99.255%0.54648%0.481SS..Hα-helixtrans-61.5-46165.7-57.50000111.4Q414 E416 K420 A421 Q422Q414-T418 VanDerWaalsContact O-CB 3.3Å; Q414-T418 WeakPolarHBondContact O-CB 3.28Å; Q414-T418 PolarHBondContact O-N 2.88Å; Q414-T418 PolarHBondContact O-OG1 2.8Å; E416-T418 VanDerWaalsContact C-N 3.33Å; T418-K420 VanDerWaalsContact C-N 3.33Å; T418-K420 PolarHBondContact O-N 2.97Å; T418-A421 PolarHBondContact O-N 3.16Å; T418-Q422 WeakPolarHBondContact O-CB 3.47Å; T418-Q422 PolarHBondContact O-N 3.29Å
419E77.8Confident77.7Confident56 Ų56100 Ų10026%0.26248%0.483SS..Hα-helixtrans-63.4-35.8175-73.1-172.2-170.300112.7R415 E416 R423R415-E419 IonicContact CZ-OE1 3.26Å; R415-E419 IonicContact NH1-OE1 3.59Å; R415-E419 PolarHBondContact NH1-OE1 3.4Å; R415-E419 IonicContact NH2-OE1 2.6Å; R415-E419 PolarHBondContact NH2-OE1 3.33Å; R415-E419 PolarHBondContact O-N 2.93Å; R415-E419 VanDerWaalsContact O-N 3.09Å; E416-E419 WeakPolarHBondContact O-CB 3.45Å; E416-E419 PolarHBondContact O-N 2.93Å; E419-R423 VanDerWaalsContact O-CG 3.25Å; E419-R423 WeakPolarHBondContact O-CG 2.98Å; E419-R423 PolarHBondContact O-N 2.76Å; E419-R423 VanDerWaalsContact O-N 3.12Å; E419-R423 IonicContact OE2-CZ 2.66Å; E419-R423 IonicContact OE2-NH1 3.55Å; E419-R423 IonicContact OE2-NH2 3.71Å; E419-R423 PolarHBondContact OE2-NH2 3.36Å
420K81.3Confident77.5Confident96 Ų96104 Ų10442%0.41749%0.491SS..Hα-helixtrans-67-44.8174.8-67.7162-149.7158.30110.9E416 D417 T418 Q422 R423 S424E416-K420 WeakPolarHBondContact O-CE 3.11Å; E416-K420 VanDerWaalsContact O-CG 3.3Å; E416-K420 WeakPolarHBondContact O-CG 3.49Å; E416-K420 PolarHBondContact O-N 3.1Å; E416-K420 IonicContact OE2-NZ 3.56Å; E416-K420 PolarHBondContact OE2-NZ 3.24Å; E416-K420 VanDerWaalsContact OE2-NZ 3.12Å; D417-K420 PolarHBondContact O-N 2.96Å; D417-K420 VanDerWaalsContact OD1-CD 3.29Å; D417-K420 WeakPolarHBondContact OD1-CD 3.13Å; D417-K420 WeakPolarHBondContact OD1-CE 3.19Å; D417-K420 IonicContact OD1-NZ 3.94Å; D417-K420 PolarHBondContact OD1-NZ 3.47Å; T418-K420 VanDerWaalsContact C-N 3.33Å; T418-K420 PolarHBondContact O-N 2.97Å; K420-Q422 PolarHBondContact O-N 2.87Å; K420-R423 PolarHBondContact O-N 3.38Å; K420-S424 PolarHBondContact O-N 3.21Å
421A74.6Confident77Confident56 Ų56104.4 Ų104.446%0.46349%0.492SS..Hα-helixtrans-61-43.317600000111.8D417 T418 R423 S424 L425D417-A421 WeakPolarHBondContact O-CB 3.37Å; D417-A421 PolarHBondContact O-N 3.32Å; T418-A421 PolarHBondContact O-N 3.16Å; A421-R423 PolarHBondContact O-N 3.17Å; A421-S424 WeakPolarHBondContact O-CB 3.2Å; A421-S424 PolarHBondContact O-N 2.63Å; A421-L425 PolarHBondContact O-N 3.15Å
422Q70.3Confident76.8Confident128 Ų128102.5 Ų102.560%0.59849%0.49SS*.Hα-helixtrans-64.9-39.9178.6-163.2169.917.700112.4T418 K420 S424 L425 S426T418-Q422 WeakPolarHBondContact O-CB 3.47Å; T418-Q422 PolarHBondContact O-N 3.29Å; K420-Q422 PolarHBondContact O-N 2.87Å; Q422-S424 VanDerWaalsContact C-N 3.35Å; Q422-S424 PolarHBondContact O-N 2.93Å; Q422-L425 WeakPolarHBondContact O-CB 3.42Å; Q422-L425 PolarHBondContact O-N 3.4Å; Q422-S426 PolarHBondContact O-N 2.8Å; Q422-S426 VanDerWaalsContact O-N 3.13Å; Q422-S426 PolarHBondContact O-OG 3.28Å
423R76.8Confident76.7Confident151 Ų151101 Ų10157%0.5749%0.489SS*.Hα-helixtrans-62.8-39.1171.7-69.8167.2-170.2124.78.4112.4E419 K420 A421 E427E419-R423 VanDerWaalsContact O-CG 3.25Å; E419-R423 WeakPolarHBondContact O-CG 2.98Å; E419-R423 PolarHBondContact O-N 2.76Å; E419-R423 VanDerWaalsContact O-N 3.12Å; E419-R423 IonicContact OE2-CZ 2.66Å; E419-R423 IonicContact OE2-NH1 3.55Å; E419-R423 IonicContact OE2-NH2 3.71Å; E419-R423 PolarHBondContact OE2-NH2 3.36Å; K420-R423 PolarHBondContact O-N 3.38Å; A421-R423 PolarHBondContact O-N 3.17Å; R423-E427 PolarHBondContact O-N 3.2Å
424S74.3Confident76.4Confident62 Ų6295.2 Ų95.243%0.43448%0.476SS..Hα-helixtrans-65-44.2176.1-169.30000111.6K420 A421 Q422 S426 E427 I428K420-S424 PolarHBondContact O-N 3.21Å; A421-S424 WeakPolarHBondContact O-CB 3.2Å; A421-S424 PolarHBondContact O-N 2.63Å; Q422-S424 VanDerWaalsContact C-N 3.35Å; Q422-S424 PolarHBondContact O-N 2.93Å; S424-S426 PolarHBondContact O-N 3.31Å; S424-E427 PolarHBondContact O-N 2.83Å; S424-E427 VanDerWaalsContact O-N 3.1Å; S424-I428 WeakPolarHBondContact O-CG1 3.42Å; S424-I428 PolarHBondContact O-N 2.94Å
425L68.4Low75.9Confident102 Ų10295.2 Ų95.253%0.53448%0.479SS..Hα-helixtrans-53.5-51.7173.9-107.4163.3000111.6A421 Q422 E427 I428 E429A421-L425 PolarHBondContact O-N 3.15Å; Q422-L425 WeakPolarHBondContact O-CB 3.42Å; Q422-L425 PolarHBondContact O-N 3.4Å; L425-E427 VanDerWaalsContact C-N 3.27Å; L425-E427 PolarHBondContact O-N 2.83Å; L425-I428 CarbonylContact O-C 3.46Å; L425-I428 WeakPolarHBondContact O-CA 3.33Å; L425-I428 WeakPolarHBondContact O-CB 3.27Å; L425-I428 PolarHBondContact O-N 3.16Å; L425-E429 WeakPolarHBondContact O-CG 3.5Å; L425-E429 PolarHBondContact O-N 2.89Å
426S76.8Confident75.9Confident67 Ų6793.8 Ų93.847%0.46948%0.479SS..Hα-helixtrans-63.5-28.2178.1-59.30000114.2Q422 S424 E429 R430Q422-S426 PolarHBondContact O-N 2.8Å; Q422-S426 VanDerWaalsContact O-N 3.13Å; Q422-S426 PolarHBondContact O-OG 3.28Å; S424-S426 PolarHBondContact O-N 3.31Å; S426-E429 WeakPolarHBondContact CA-OE2 3.35Å; S426-R430 WeakPolarHBondContact O-CB 3.37Å; S426-R430 PolarHBondContact O-N 3.19Å; S426-R430 VanDerWaalsContact O-N 3.16Å
427E79.1Confident75.7Confident90 Ų9094.8 Ų94.842%0.42148%0.484SS..Hα-helixtrans-75.5-32.2172.6-142.5-140.8145.100112.5R423 S424 L425 K431R423-E427 PolarHBondContact O-N 3.2Å; S424-E427 PolarHBondContact O-N 2.83Å; S424-E427 VanDerWaalsContact O-N 3.1Å; L425-E427 VanDerWaalsContact C-N 3.27Å; L425-E427 PolarHBondContact O-N 2.83Å; E427-K431 WeakPolarHBondContact O-CD 3.28Å; E427-K431 VanDerWaalsContact O-CG 3.27Å; E427-K431 WeakPolarHBondContact O-CG 3.25Å; E427-K431 PolarHBondContact O-N 3.19Å; E427-K431 WeakPolarHBondContact OE1-CE 3.44Å; E427-K431 IonicContact OE1-NZ 2.67Å; E427-K431 PolarHBondContact OE1-NZ 3.46Å; E427-K431 IonicContact OE2-NZ 2.7Å; E427-K431 PolarHBondContact OE2-NZ 2.98Å
428I78.9Confident75.5Confident95 Ų9599.5 Ų99.549%0.48750%0.496SS..Hα-helixtrans-69.9-45173.6-67.9164.5000110.4S424 L425 R430 K431 A432S424-I428 WeakPolarHBondContact O-CG1 3.42Å; S424-I428 PolarHBondContact O-N 2.94Å; L425-I428 CarbonylContact O-C 3.46Å; L425-I428 WeakPolarHBondContact O-CA 3.33Å; L425-I428 WeakPolarHBondContact O-CB 3.27Å; L425-I428 PolarHBondContact O-N 3.16Å; I428-R430 VanDerWaalsContact C-N 3.34Å; I428-R430 PolarHBondContact O-N 3.5Å; I428-K431 CarbonylContact O-C 3.55Å; I428-K431 WeakPolarHBondContact O-CA 3.49Å; I428-K431 WeakPolarHBondContact O-CB 3.32Å; I428-K431 PolarHBondContact O-N 2.99Å; I428-A432 PolarHBondContact O-N 3.05Å
429E69.7Low75.5Confident104 Ų104103 Ų10349%0.48650%0.5SS..Hα-helixtrans-56.4-46.3173.7-71.5173.2147.100111.3L425 S426 K431 A432 Q433L425-E429 WeakPolarHBondContact O-CG 3.5Å; L425-E429 PolarHBondContact O-N 2.89Å; S426-E429 WeakPolarHBondContact CA-OE2 3.35Å; E429-K431 VanDerWaalsContact C-N 3.27Å; E429-K431 PolarHBondContact O-N 3.07Å; E429-A432 WeakPolarHBondContact O-CB 3.29Å; E429-A432 PolarHBondContact O-N 3.22Å; E429-A432 VanDerWaalsContact O-N 3.09Å; E429-Q433 WeakPolarHBondContact O-CG 3.03Å; E429-Q433 PolarHBondContact O-N 3.14Å
430R80.2Confident75.4Confident165 Ų165102.7 Ų102.762%0.62351%0.505SS*.Hα-helixtrans-62.3-32.9176.2-163.2-177.371.7118.6-0.1112.7S426 I428 A434S426-R430 WeakPolarHBondContact O-CB 3.37Å; S426-R430 PolarHBondContact O-N 3.19Å; S426-R430 VanDerWaalsContact O-N 3.16Å; I428-R430 VanDerWaalsContact C-N 3.34Å; I428-R430 PolarHBondContact O-N 3.5Å; R430-A434 WeakPolarHBondContact O-CB 3.41Å; R430-A434 PolarHBondContact O-N 3Å
431K77.2Confident75.5Confident101 Ų101104.5 Ų104.544%0.43951%0.512SS..Hα-helixtrans-73.9-36173.2-70.8161.9-172161.70111.7E427 I428 E429 A434 N435E427-K431 WeakPolarHBondContact O-CD 3.28Å; E427-K431 VanDerWaalsContact O-CG 3.27Å; E427-K431 WeakPolarHBondContact O-CG 3.25Å; E427-K431 PolarHBondContact O-N 3.19Å; E427-K431 WeakPolarHBondContact OE1-CE 3.44Å; E427-K431 IonicContact OE1-NZ 2.67Å; E427-K431 PolarHBondContact OE1-NZ 3.46Å; E427-K431 IonicContact OE2-NZ 2.7Å; E427-K431 PolarHBondContact OE2-NZ 2.98Å; I428-K431 CarbonylContact O-C 3.55Å; I428-K431 WeakPolarHBondContact O-CA 3.49Å; I428-K431 WeakPolarHBondContact O-CB 3.32Å; I428-K431 PolarHBondContact O-N 2.99Å; E429-K431 VanDerWaalsContact C-N 3.27Å; E429-K431 PolarHBondContact O-N 3.07Å; K431-A434 PolarHBondContact O-N 3.34Å; K431-N435 PolarHBondContact O-N 3.46Å
432A71.9Confident75.7Confident57 Ų57107.5 Ų107.547%0.47152%0.52SS..Hα-helixtrans-64.2-51.417500000111.1I428 E429 A434 N435 E436I428-A432 PolarHBondContact O-N 3.05Å; E429-A432 WeakPolarHBondContact O-CB 3.29Å; E429-A432 PolarHBondContact O-N 3.22Å; E429-A432 VanDerWaalsContact O-N 3.09Å; A432-A434 VanDerWaalsContact C-N 3.29Å; A432-A434 PolarHBondContact O-N 3.33Å; A432-N435 CarbonylContact O-C 3.58Å; A432-N435 WeakPolarHBondContact O-CA 3.44Å; A432-N435 PolarHBondContact O-N 2.65Å; A432-E436 PolarHBondContact O-N 3.08Å
433Q77.4Confident76Confident104 Ų104105.2 Ų105.249%0.48651%0.508SS..Hα-helixtrans-55.9-41.2174.4-69.9173.7-2.900112.2E429 N435 E436 Q437E429-Q433 WeakPolarHBondContact O-CG 3.03Å; E429-Q433 PolarHBondContact O-N 3.14Å; Q433-N435 VanDerWaalsContact C-N 3.32Å; Q433-N435 PolarHBondContact O-N 2.99Å; Q433-E436 PolarHBondContact O-N 3Å; Q433-Q437 WeakPolarHBondContact O-CG 3.48Å; Q433-Q437 PolarHBondContact O-N 2.88Å
434A78.8Confident76.3Confident44 Ų44103.6 Ų103.636%0.36451%0.507SS..Hα-helixtrans-66.7-30.5176.600000113.4R430 K431 A432 R438R430-A434 WeakPolarHBondContact O-CB 3.41Å; R430-A434 PolarHBondContact O-N 3Å; K431-A434 PolarHBondContact O-N 3.34Å; A432-A434 VanDerWaalsContact C-N 3.29Å; A432-A434 PolarHBondContact O-N 3.33Å; A434-R438 WeakPolarHBondContact O-CD 3.43Å; A434-R438 WeakPolarHBondContact O-CG 3.47Å
435N68.8Low76.8Confident94 Ų94106.4 Ų106.450%0.50351%0.511SS..Hα-helixtrans-78.8-36.7172.4-84.2-14.9000112.3K431 A432 Q433 R438 Y439K431-N435 PolarHBondContact O-N 3.46Å; A432-N435 CarbonylContact O-C 3.58Å; A432-N435 WeakPolarHBondContact O-CA 3.44Å; A432-N435 PolarHBondContact O-N 2.65Å; Q433-N435 VanDerWaalsContact C-N 3.32Å; Q433-N435 PolarHBondContact O-N 2.99Å; N435-R438 WeakPolarHBondContact O-CA 3.42Å; N435-R438 WeakPolarHBondContact O-CB 3.33Å; N435-R438 PolarHBondContact O-N 3.27Å; N435-R438 VanDerWaalsContact O-N 3.08Å; N435-Y439 PolarHBondContact O-N 3.44Å
436E76.8Confident77.1Confident126 Ų126109 Ų10959%0.58952%0.515SS*.Hα-helixtrans-61.1-44.5173.9-176.5175.7-154.900111.4A432 Q433 R438 Y439 S440A432-E436 PolarHBondContact O-N 3.08Å; Q433-E436 PolarHBondContact O-N 3Å; E436-R438 PolarHBondContact O-N 2.84Å; E436-Y439 PolarHBondContact O-N 3.33Å; E436-Y439 VanDerWaalsContact O-N 3.09Å; E436-S440 PolarHBondContact O-N 2.94Å; E436-S440 PolarHBondContact O-OG 3.18Å
437Q78.1Confident77.1Confident127 Ų127108.9 Ų108.959%0.59351%0.514SS*.Hα-helixtrans-60.2-29.1172.8-72.6-1791200113.4Q433 K441Q433-Q437 WeakPolarHBondContact O-CG 3.48Å; Q433-Q437 PolarHBondContact O-N 2.88Å; Q437-K441 WeakPolarHBondContact O-CD 3.48Å; Q437-K441 WeakPolarHBondContact O-CG 3.29Å; Q437-K441 PolarHBondContact O-N 3.48Å
438R78.4Confident77.5Confident175 Ų175108.8 Ų108.866%0.6651%0.514SS*.Hα-helixtrans-76-41.9172.9-69.4166.4173.1-171.8-5.3111.3A434 N435 E436 K441 L442A434-R438 WeakPolarHBondContact O-CD 3.43Å; A434-R438 WeakPolarHBondContact O-CG 3.47Å; N435-R438 WeakPolarHBondContact O-CA 3.42Å; N435-R438 WeakPolarHBondContact O-CB 3.33Å; N435-R438 PolarHBondContact O-N 3.27Å; N435-R438 VanDerWaalsContact O-N 3.08Å; E436-R438 PolarHBondContact O-N 2.84Å; R438-K441 PolarHBondContact O-N 2.88Å; R438-L442 PolarHBondContact O-N 2.62Å
439Y70.7Confident77.8Confident162 Ų162109.8 Ų109.864%0.63552%0.519SS*.Hα-helixtrans-64-42.9177.8-170.7-96.5000111.7N435 E436 K441 L442 K443N435-Y439 PolarHBondContact O-N 3.44Å; E436-Y439 PolarHBondContact O-N 3.33Å; E436-Y439 VanDerWaalsContact O-N 3.09Å; Y439-K441 PolarHBondContact O-N 2.92Å; Y439-L442 PolarHBondContact O-N 3.39Å; Y439-K443 VanDerWaalsContact O-CB 3.27Å; Y439-K443 WeakPolarHBondContact O-CB 3.5Å; Y439-K443 PolarHBondContact O-N 2.88Å
440S74.1Confident78.4Confident51 Ų51108.3 Ų108.336%0.35752%0.518SS..Hα-helixtrans-60-43.7174.5-700000112.3E436 L442 K443 E444E436-S440 PolarHBondContact O-N 2.94Å; E436-S440 PolarHBondContact O-OG 3.18Å; S440-L442 PolarHBondContact O-N 2.81Å; S440-K443 WeakPolarHBondContact O-CB 3.44Å; S440-K443 PolarHBondContact O-N 3Å; S440-E444 WeakPolarHBondContact O-CG 3.35Å; S440-E444 PolarHBondContact O-N 3.03Å
441K84.3Confident78.5Confident133 Ų133105 Ų10558%0.57851%0.509SS*.Hα-helixtrans-64.9-35.6174.2-73.2171.5-179.1172.80113.3Q437 R438 Y439 K445Q437-K441 WeakPolarHBondContact O-CD 3.48Å; Q437-K441 WeakPolarHBondContact O-CG 3.29Å; Q437-K441 PolarHBondContact O-N 3.48Å; R438-K441 PolarHBondContact O-N 2.88Å; Y439-K441 PolarHBondContact O-N 2.92Å; K441-K445 WeakPolarHBondContact O-CG 3.32Å; K441-K445 PolarHBondContact O-N 3Å; K441-K445 VanDerWaalsContact O-N 3.15Å
442L79Confident79Confident119 Ų119104.5 Ų104.562%0.62351%0.511SS*.Hα-helixtrans-69.1-39.1174-176.161.7000111.5R438 Y439 S440 K445 Y446R438-L442 PolarHBondContact O-N 2.62Å; Y439-L442 PolarHBondContact O-N 3.39Å; S440-L442 PolarHBondContact O-N 2.81Å; L442-K445 PolarHBondContact O-N 3.48Å; L442-Y446 WeakPolarHBondContact O-CB 3.45Å; L442-Y446 PolarHBondContact O-N 3.44Å
443K76.8Confident79.7Confident80 Ų80107.2 Ų107.235%0.34851%0.514SS..Hα-helixtrans-67.4-37.2176.2175.1-175164.6-165.70112.5Y439 S440 S447 C921Y439-K443 VanDerWaalsContact O-CB 3.27Å; Y439-K443 WeakPolarHBondContact O-CB 3.5Å; Y439-K443 PolarHBondContact O-N 2.88Å; S440-K443 WeakPolarHBondContact O-CB 3.44Å; S440-K443 PolarHBondContact O-N 3Å; K443-S447 VanDerWaalsContact O-CB 3.24Å; K443-S447 WeakPolarHBondContact O-CB 3.29Å; K443-S447 PolarHBondContact O-N 3.06Å; K443-S447 PolarHBondContact O-OG 3.2Å; K443-C921 PolarHBondContact NZ-SG 2.72Å
444E83Confident79.7Confident117 Ų117104 Ų10455%0.54751%0.505SS..Hα-helixtrans-58.3-52.7167.8-75.2170.416500110.2S440 Y446 S447 E448S440-E444 WeakPolarHBondContact O-CG 3.35Å; S440-E444 PolarHBondContact O-N 3.03Å; E444-Y446 VanDerWaalsContact C-N 3.33Å; E444-Y446 PolarHBondContact O-N 2.92Å; E444-S447 CarbonylContact O-C 3.54Å; E444-S447 WeakPolarHBondContact O-CB 3.48Å; E444-S447 PolarHBondContact O-N 3.22Å; E444-S447 VanDerWaalsContact O-N 3.08Å; E444-E448 PolarHBondContact O-N 3.41Å
445K84.6Confident80Confident121 Ų121104.2 Ų104.253%0.52650%0.5SS..Hα-helixtrans-64.4-33.6179.1-69.9-72.3163.8-128.70113.7K441 L442 E448 L449K441-K445 WeakPolarHBondContact O-CG 3.32Å; K441-K445 PolarHBondContact O-N 3Å; K441-K445 VanDerWaalsContact O-N 3.15Å; L442-K445 PolarHBondContact O-N 3.48Å; K445-E448 WeakPolarHBondContact CD-OE2 3.5Å; K445-E448 IonicContact NZ-OE1 3.13Å; K445-E448 PolarHBondContact NZ-OE1 2.88Å; K445-E448 IonicContact NZ-OE2 2.77Å; K445-E448 PolarHBondContact NZ-OE2 3.2Å; K445-L449 WeakPolarHBondContact O-CB 3.11Å; K445-L449 PolarHBondContact O-N 2.77Å
446Y75.3Confident80.9Confident158 Ų158105.1 Ų105.162%0.6250%0.504SS*.Hα-helixtrans-68.8-38.9172.1-173.5-97000111.6L442 E444 L449 V450L442-Y446 WeakPolarHBondContact O-CB 3.45Å; L442-Y446 PolarHBondContact O-N 3.44Å; E444-Y446 VanDerWaalsContact C-N 3.33Å; E444-Y446 PolarHBondContact O-N 2.92Å; Y446-L449 PolarHBondContact O-N 2.8Å; Y446-V450 HydrophobicContact CD1-CG2 3.97Å; Y446-V450 HydrophobicContact CE1-CG2 3.57Å; Y446-V450 WeakPolarHBondContact O-CG2 3.17Å; Y446-V450 PolarHBondContact O-N 2.8Å
447S75.9Confident81.2Confident64 Ų64103.7 Ų103.745%0.44850%0.5SS..Hα-helixtrans-68.8-39.2177.1-59.70000111.7K443 E444 L449 V450 Q451K443-S447 VanDerWaalsContact O-CB 3.24Å; K443-S447 WeakPolarHBondContact O-CB 3.29Å; K443-S447 PolarHBondContact O-N 3.06Å; K443-S447 PolarHBondContact O-OG 3.2Å; E444-S447 CarbonylContact O-C 3.54Å; E444-S447 WeakPolarHBondContact O-CB 3.48Å; E444-S447 PolarHBondContact O-N 3.22Å; E444-S447 VanDerWaalsContact O-N 3.08Å; S447-L449 VanDerWaalsContact C-N 3.35Å; S447-V450 PolarHBondContact O-N 3.37Å; S447-Q451 VanDerWaalsContact O-CB 3.23Å; S447-Q451 WeakPolarHBondContact O-CB 3.49Å; S447-Q451 PolarHBondContact O-N 2.77Å
448E87.3Confident81.7Confident87 Ų87105 Ų10541%0.40750%0.5SS..Hα-helixtrans-56.9-46.2166.7-75.6172.7-14800111.4E444 K445 Q451 N452E444-E448 PolarHBondContact O-N 3.41Å; K445-E448 WeakPolarHBondContact CD-OE2 3.5Å; K445-E448 IonicContact NZ-OE1 3.13Å; K445-E448 PolarHBondContact NZ-OE1 2.88Å; K445-E448 IonicContact NZ-OE2 2.77Å; K445-E448 PolarHBondContact NZ-OE2 3.2Å; E448-Q451 PolarHBondContact O-N 2.97Å; E448-N452 WeakPolarHBondContact O-CB 3.26Å; E448-N452 PolarHBondContact O-N 2.9Å; E448-N452 PolarHBondContact O-ND2 3.06Å
449L84.8Confident82.1Confident116 Ų116103.4 Ų103.461%0.60750%0.498SS*.Hα-helixtrans-65.3-43.8-179.4-175.663000112.3K445 Y446 S447 N452 H453K445-L449 WeakPolarHBondContact O-CB 3.11Å; K445-L449 PolarHBondContact O-N 2.77Å; Y446-L449 PolarHBondContact O-N 2.8Å; S447-L449 VanDerWaalsContact C-N 3.35Å; L449-N452 PolarHBondContact O-N 2.84Å; L449-H453 WeakPolarHBondContact O-CB 3.22Å; L449-H453 PolarHBondContact O-N 3.22Å
450V82.4Confident82.8Confident74 Ų74100.4 Ų100.445%0.44849%0.493SS..Hα-helixtrans-64.7-42.2175.9170.50000111.2Y446 S447 H453 A454Y446-V450 HydrophobicContact CD1-CG2 3.97Å; Y446-V450 HydrophobicContact CE1-CG2 3.57Å; Y446-V450 WeakPolarHBondContact O-CG2 3.17Å; Y446-V450 PolarHBondContact O-N 2.8Å; S447-V450 PolarHBondContact O-N 3.37Å; V450-H453 PolarHBondContact O-N 2.87Å; V450-A454 WeakPolarHBondContact O-CB 3.47Å; V450-A454 PolarHBondContact O-N 2.85Å
451Q83.9Confident83.2Confident94 Ų94100.8 Ų100.844%0.43950%0.499SS..Hα-helixtrans-63.4-48176.3-17854.352.800111.2S447 E448 H453 A454 D455S447-Q451 VanDerWaalsContact O-CB 3.23Å; S447-Q451 WeakPolarHBondContact O-CB 3.49Å; S447-Q451 PolarHBondContact O-N 2.77Å; E448-Q451 PolarHBondContact O-N 2.97Å; Q451-H453 VanDerWaalsContact C-N 3.28Å; Q451-H453 PolarHBondContact O-N 3.06Å; Q451-A454 PolarHBondContact O-N 2.85Å; Q451-A454 VanDerWaalsContact O-N 3.16Å; Q451-D455 VanDerWaalsContact NE2-CG 3.27Å; Q451-D455 PolarHBondContact NE2-OD1 2.99Å; Q451-D455 PolarHBondContact NE2-OD2 2.9Å; Q451-D455 PolarHBondContact O-N 3.12Å
452N86.4Confident83.4Confident92 Ų9298.1 Ų98.149%0.49249%0.489SS..Hα-helixtrans-58.4-39174.4-80.4-63.3000112.1E448 L449 D455 L456E448-N452 WeakPolarHBondContact O-CB 3.26Å; E448-N452 PolarHBondContact O-N 2.9Å; E448-N452 PolarHBondContact O-ND2 3.06Å; L449-N452 PolarHBondContact O-N 2.84Å; N452-D455 PolarHBondContact O-N 3.35Å; N452-L456 WeakPolarHBondContact O-CB 3.33Å; N452-L456 VanDerWaalsContact O-CG 3.3Å; N452-L456 WeakPolarHBondContact O-CG 3.41Å; N452-L456 PolarHBondContact O-N 2.9Å
453H86.3Confident83.8Confident114 Ų11496.2 Ų96.253%0.52848%0.482SS..Hα-helixtrans-66.2-43.7175.3-171.269.9000112L449 V450 Q451 D455 L456 L457L449-H453 WeakPolarHBondContact O-CB 3.22Å; L449-H453 PolarHBondContact O-N 3.22Å; V450-H453 PolarHBondContact O-N 2.87Å; Q451-H453 VanDerWaalsContact C-N 3.28Å; Q451-H453 PolarHBondContact O-N 3.06Å; H453-D455 VanDerWaalsContact C-N 3.3Å; H453-D455 PolarHBondContact O-N 3.05Å; H453-L456 PolarHBondContact O-N 3.34Å; H453-L457 WeakPolarHBondContact O-CG 3.35Å; H453-L457 PolarHBondContact O-N 3.29Å
454A78.9Confident84.2Confident36 Ų3696.5 Ų96.530%0.29849%0.49SS..Hα-helixtrans-64.4-32.3174.900000112.9V450 Q451 R458V450-A454 WeakPolarHBondContact O-CB 3.47Å; V450-A454 PolarHBondContact O-N 2.85Å; Q451-A454 PolarHBondContact O-N 2.85Å; Q451-A454 VanDerWaalsContact O-N 3.16Å; A454-R458 WeakPolarHBondContact O-CG 3.45Å; A454-R458 PolarHBondContact O-N 2.94Å
455D84.8Confident84.5Confident49 Ų4995.9 Ų95.926%0.26249%0.486SS..Hα-helixtrans-72.7-37.6173.3-71.9-37.5000112.6Q451 N452 H453 R458 K459Q451-D455 VanDerWaalsContact NE2-CG 3.27Å; Q451-D455 PolarHBondContact NE2-OD1 2.99Å; Q451-D455 PolarHBondContact NE2-OD2 2.9Å; Q451-D455 PolarHBondContact O-N 3.12Å; N452-D455 PolarHBondContact O-N 3.35Å; H453-D455 VanDerWaalsContact C-N 3.3Å; H453-D455 PolarHBondContact O-N 3.05Å; D455-R458 PolarHBondContact O-N 3.11Å; D455-R458 IonicContact OD1-CZ 3.47Å; D455-R458 IonicContact OD1-NE 3.49Å; D455-R458 IonicContact OD1-NH2 2.67Å; D455-R458 PolarHBondContact OD1-NH2 3.48Å; D455-K459 WeakPolarHBondContact O-CB 3.36Å; D455-K459 VanDerWaalsContact O-CG 3.32Å; D455-K459 WeakPolarHBondContact O-CG 3.5Å; D455-K459 PolarHBondContact O-N 2.9Å
456L88.3Confident84.6Confident112 Ų11295.1 Ų95.159%0.58648%0.484SS*.Hα-helixtrans-66.5-40.8171.8-74.1168.4000111.9N452 H453 K459 N460N452-L456 WeakPolarHBondContact O-CB 3.33Å; N452-L456 VanDerWaalsContact O-CG 3.3Å; N452-L456 WeakPolarHBondContact O-CG 3.41Å; N452-L456 PolarHBondContact O-N 2.9Å; H453-L456 PolarHBondContact O-N 3.34Å; L456-K459 PolarHBondContact O-N 3.39Å; L456-N460 WeakPolarHBondContact O-CB 3.32Å; L456-N460 PolarHBondContact O-N 2.9Å
457L81.8Confident85.2Confident96 Ų9690.9 Ų90.950%0.50348%0.475SS..Hα-helixtrans-62.7-43.8174.3-73.3174.2000111.7H453 N460 A461H453-L457 WeakPolarHBondContact O-CG 3.35Å; H453-L457 PolarHBondContact O-N 3.29Å; L457-N460 PolarHBondContact O-N 3.29Å; L457-A461 PolarHBondContact O-N 2.67Å
458R88.3Confident85.7Confident154 Ų15491 Ų9158%0.58148%0.475SS*.Hα-helixtrans-63.3-41.8174.6-76.7-173.5-73.3176-6.5112.6A454 D455 A461 E462A454-R458 WeakPolarHBondContact O-CG 3.45Å; A454-R458 PolarHBondContact O-N 2.94Å; D455-R458 PolarHBondContact O-N 3.11Å; D455-R458 IonicContact OD1-CZ 3.47Å; D455-R458 IonicContact OD1-NE 3.49Å; D455-R458 IonicContact OD1-NH2 2.67Å; D455-R458 PolarHBondContact OD1-NH2 3.48Å; R458-A461 PolarHBondContact O-N 2.94Å; R458-E462 PolarHBondContact O-N 2.94Å
459K87Confident85.8Confident142 Ų14292.4 Ų92.462%0.61748%0.483SS*.Hα-helixtrans-63-40.5173.5-75.5172.6179.9175.90112.1D455 L456 E462 V463D455-K459 WeakPolarHBondContact O-CB 3.36Å; D455-K459 VanDerWaalsContact O-CG 3.32Å; D455-K459 WeakPolarHBondContact O-CG 3.5Å; D455-K459 PolarHBondContact O-N 2.9Å; L456-K459 PolarHBondContact O-N 3.39Å; K459-E462 PolarHBondContact O-N 2.93Å; K459-V463 WeakPolarHBondContact O-CB 3.29Å; K459-V463 WeakPolarHBondContact O-CG2 3.5Å; K459-V463 PolarHBondContact O-N 3.47Å
460N85.1Confident85.7Confident99 Ų9989.8 Ų89.853%0.52948%0.478SS..Hα-helixtrans-65.9-40.2177.2-166.913.4000111.9L456 L457 V463 T464L456-N460 WeakPolarHBondContact O-CB 3.32Å; L456-N460 PolarHBondContact O-N 2.9Å; L457-N460 PolarHBondContact O-N 3.29Å; N460-V463 PolarHBondContact O-N 2.85Å; N460-T464 VanDerWaalsContact O-CB 3.3Å; N460-T464 WeakPolarHBondContact O-CB 3.25Å; N460-T464 PolarHBondContact O-N 2.82Å; N460-T464 PolarHBondContact O-OG1 2.84Å
461A83.8Confident86Confident60 Ų6094.5 Ų94.550%0.49649%0.488SS..Hα-helixtrans-62.9-44.3173.800000112.4L457 R458 T464 K465L457-A461 PolarHBondContact O-N 2.67Å; R458-A461 PolarHBondContact O-N 2.94Å; A461-T464 PolarHBondContact O-N 2.78Å; A461-K465 WeakPolarHBondContact O-CB 3.21Å; A461-K465 PolarHBondContact O-N 2.87Å
462E88.1Confident86.1Confident76 Ų7695.1 Ų95.136%0.35549%0.491SS..Hα-helixtrans-68.2-39.8177.3-179.856.5-149.200112.1R458 K459 T464 K465 Q466R458-E462 PolarHBondContact O-N 2.94Å; K459-E462 PolarHBondContact O-N 2.93Å; E462-T464 VanDerWaalsContact C-N 3.35Å; E462-T464 PolarHBondContact O-N 3.42Å; E462-K465 WeakPolarHBondContact O-CB 3.42Å; E462-K465 PolarHBondContact O-N 2.82Å; E462-K465 IonicContact OE1-NZ 2.64Å; E462-K465 WeakPolarHBondContact OE2-CD 3.15Å; E462-K465 IonicContact OE2-NZ 2.74Å; E462-K465 PolarHBondContact OE2-NZ 3.31Å; E462-Q466 WeakPolarHBondContact O-CG 3.39Å; E462-Q466 PolarHBondContact O-N 2.62Å; E462-Q466 PolarHBondContact OE1-NE2 2.66Å
463V88.2Confident86.1Confident80 Ų8093.1 Ų93.149%0.48549%0.488SS..Hα-helixtrans-62.8-41.2171.6169.60000111.3K459 N460 K465 Q466 V467K459-V463 WeakPolarHBondContact O-CB 3.29Å; K459-V463 WeakPolarHBondContact O-CG2 3.5Å; K459-V463 PolarHBondContact O-N 3.47Å; N460-V463 PolarHBondContact O-N 2.85Å; V463-K465 VanDerWaalsContact C-N 3.33Å; V463-K465 PolarHBondContact O-N 3.32Å; V463-Q466 PolarHBondContact O-N 3.44Å; V463-V467 HydrophobicContact CG1-CG2 4.49Å; V463-V467 WeakPolarHBondContact O-CG2 3.16Å; V463-V467 PolarHBondContact O-N 2.76Å
464T84.9Confident86.1Confident85 Ų8592.9 Ų92.952%0.52149%0.487SS..Hα-helixtrans-61.1-42.3176-610000111.3N460 A461 E462 V467 S468N460-T464 VanDerWaalsContact O-CB 3.3Å; N460-T464 WeakPolarHBondContact O-CB 3.25Å; N460-T464 PolarHBondContact O-N 2.82Å; N460-T464 PolarHBondContact O-OG1 2.84Å; A461-T464 PolarHBondContact O-N 2.78Å; E462-T464 VanDerWaalsContact C-N 3.35Å; E462-T464 PolarHBondContact O-N 3.42Å; T464-V467 PolarHBondContact O-N 2.8Å; T464-S468 PolarHBondContact O-N 2.77Å
465K89.3Confident86.6Confident104 Ų10495.1 Ų95.145%0.45250%0.496SS..Hα-helixtrans-64.1-43.8174.7176.8-172.8158.8-148.30112.2A461 E462 V463 V467 S468 M469A461-K465 WeakPolarHBondContact O-CB 3.21Å; A461-K465 PolarHBondContact O-N 2.87Å; E462-K465 WeakPolarHBondContact O-CB 3.42Å; E462-K465 PolarHBondContact O-N 2.82Å; E462-K465 IonicContact OE1-NZ 2.64Å; E462-K465 WeakPolarHBondContact OE2-CD 3.15Å; E462-K465 IonicContact OE2-NZ 2.74Å; E462-K465 PolarHBondContact OE2-NZ 3.31Å; V463-K465 VanDerWaalsContact C-N 3.33Å; V463-K465 PolarHBondContact O-N 3.32Å; K465-V467 VanDerWaalsContact C-N 3.34Å; K465-V467 PolarHBondContact O-N 3.02Å; K465-S468 WeakPolarHBondContact CA-OG 3.28Å; K465-S468 PolarHBondContact O-N 3.39Å; K465-S468 PolarHBondContact O-OG 3.5Å; K465-M469 HydrophobicContact CG-SD 4.15Å; K465-M469 WeakPolarHBondContact O-CG 3.3Å; K465-M469 PolarHBondContact O-N 2.89Å
466Q85.9Confident86.8Confident106 Ų10695 Ų9550%0.49550%0.496SS..Hα-helixtrans-62.6-40.5175.5-72173.815.900111.5E462 V463 M469 A470E462-Q466 WeakPolarHBondContact O-CG 3.39Å; E462-Q466 PolarHBondContact O-N 2.62Å; E462-Q466 PolarHBondContact OE1-NE2 2.66Å; V463-Q466 PolarHBondContact O-N 3.44Å; Q466-M469 PolarHBondContact O-N 3.49Å; Q466-A470 WeakPolarHBondContact O-CB 3.44Å; Q466-A470 PolarHBondContact O-N 2.74Å
467V88.1Confident86.7Confident69 Ų6994.9 Ų94.942%0.41850%0.495SS..Hα-helixtrans-64.2-38.6172.7170.40000111.8V463 T464 K465 R471V463-V467 HydrophobicContact CG1-CG2 4.49Å; V463-V467 WeakPolarHBondContact O-CG2 3.16Å; V463-V467 PolarHBondContact O-N 2.76Å; T464-V467 PolarHBondContact O-N 2.8Å; K465-V467 VanDerWaalsContact C-N 3.34Å; K465-V467 PolarHBondContact O-N 3.02Å; V467-R471 WeakPolarHBondContact O-CB 3.32Å; V467-R471 VanDerWaalsContact O-CG 3.32Å; V467-R471 WeakPolarHBondContact O-CG 3.34Å; V467-R471 PolarHBondContact O-N 2.85Å
468S86.4Confident87Confident66 Ų6695.5 Ų95.546%0.46250%0.495SS..Hα-helixtrans-67.7-39.1174.963.30000112.7T464 K465 R471 Q472T464-S468 PolarHBondContact O-N 2.77Å; K465-S468 WeakPolarHBondContact CA-OG 3.28Å; K465-S468 PolarHBondContact O-N 3.39Å; K465-S468 PolarHBondContact O-OG 3.5Å; S468-R471 PolarHBondContact O-N 2.93Å; S468-Q472 PolarHBondContact O-N 3.28Å
469M88.3Confident87.1Confident116 Ų11693.7 Ų93.757%0.57149%0.489SS*.Hα-helixtrans-66.7-41.7176-70.6173.365.200111.6K465 Q466 Q472 A473K465-M469 HydrophobicContact CG-SD 4.15Å; K465-M469 WeakPolarHBondContact O-CG 3.3Å; K465-M469 PolarHBondContact O-N 2.89Å; Q466-M469 PolarHBondContact O-N 3.49Å; M469-Q472 PolarHBondContact O-N 3.3Å; M469-A473 WeakPolarHBondContact O-CB 3.46Å; M469-A473 PolarHBondContact O-N 3.4Å
470A83.6Confident87.1Confident61 Ų6191.8 Ų91.850%0.50448%0.482SS..Hα-helixtrans-64-39.5175.400000112.3Q466 A473 Q474Q466-A470 WeakPolarHBondContact O-CB 3.44Å; Q466-A470 PolarHBondContact O-N 2.74Å; A470-A473 PolarHBondContact O-N 3.31Å; A470-Q474 WeakPolarHBondContact O-CB 3.38Å; A470-Q474 PolarHBondContact O-N 2.84Å
471R87.9Confident87.3Confident174 Ų17492.6 Ų92.666%0.65748%0.481SS*.Hα-helixtrans-64.9-41.1173.5-76.6175.5177.4-174.7-0.5112.5V467 S468 Q474 V475V467-R471 WeakPolarHBondContact O-CB 3.32Å; V467-R471 VanDerWaalsContact O-CG 3.32Å; V467-R471 WeakPolarHBondContact O-CG 3.34Å; V467-R471 PolarHBondContact O-N 2.85Å; S468-R471 PolarHBondContact O-N 2.93Å; R471-Q474 PolarHBondContact O-N 3.39Å; R471-V475 WeakPolarHBondContact O-CG2 3.35Å; R471-V475 PolarHBondContact O-N 3.4Å
472Q85.8Confident87.6Confident106 Ų10695.5 Ų95.550%0.49548%0.482SS..Hα-helixtrans-63.1-48.2175.6-175.955.952.700110.8S468 M469 Q474 V475 D476S468-Q472 PolarHBondContact O-N 3.28Å; M469-Q472 PolarHBondContact O-N 3.3Å; Q472-Q474 VanDerWaalsContact C-N 3.27Å; Q472-Q474 PolarHBondContact O-N 3.42Å; Q472-V475 PolarHBondContact O-N 3.16Å; Q472-D476 PolarHBondContact NE2-OD2 2.93Å; Q472-D476 PolarHBondContact O-N 2.96Å; Q472-D476 VanDerWaalsContact O-OD2 3.11Å
473A87Confident87.6Confident51 Ų5196.7 Ų96.742%0.42149%0.487SS..Hα-helixtrans-59.6-34.4175.800000113.1M469 A470 L477M469-A473 WeakPolarHBondContact O-CB 3.46Å; M469-A473 PolarHBondContact O-N 3.4Å; A470-A473 PolarHBondContact O-N 3.31Å; A473-L477 WeakPolarHBondContact O-CB 3.15Å; A473-L477 WeakPolarHBondContact O-CG 3.44Å; A473-L477 PolarHBondContact O-N 2.84Å
474Q85.9Confident87.5Confident109 Ų10998.8 Ų98.851%0.50950%0.495SS..Hα-helixtrans-65.4-45171.9-177.8-177.9-17.100111.8A470 R471 Q472 D476 L477 E478A470-Q474 WeakPolarHBondContact O-CB 3.38Å; A470-Q474 PolarHBondContact O-N 2.84Å; R471-Q474 PolarHBondContact O-N 3.39Å; Q472-Q474 VanDerWaalsContact C-N 3.27Å; Q472-Q474 PolarHBondContact O-N 3.42Å; Q474-D476 VanDerWaalsContact C-N 3.34Å; Q474-D476 PolarHBondContact O-N 3.34Å; Q474-L477 PolarHBondContact O-N 2.89Å; Q474-E478 HydrophobicContact CG-CG 4.5Å; Q474-E478 WeakPolarHBondContact CG-OE1 3.38Å; Q474-E478 PolarHBondContact NE2-OE1 3.26Å; Q474-E478 WeakPolarHBondContact O-CB 3.36Å; Q474-E478 WeakPolarHBondContact O-CG 3.42Å; Q474-E478 PolarHBondContact O-N 2.9Å
475V91Very high87.7Confident83 Ų8399.3 Ų99.350%0.50349%0.492SS..Hα-helixtrans-64.1-38.8177.7170.40000111.6R471 Q472 E478 R479R471-V475 WeakPolarHBondContact O-CG2 3.35Å; R471-V475 PolarHBondContact O-N 3.4Å; Q472-V475 PolarHBondContact O-N 3.16Å; V475-E478 PolarHBondContact O-N 3.41Å; V475-R479 PolarHBondContact O-N 2.94Å
476D87.3Confident87.6Confident46 Ų4697.4 Ų97.425%0.24649%0.487CS..Hα-helixtrans-66.7-41.7174.6-72.5-56.9000111.9Q472 Q474 R479 E480Q472-D476 PolarHBondContact NE2-OD2 2.93Å; Q472-D476 PolarHBondContact O-N 2.96Å; Q472-D476 VanDerWaalsContact O-OD2 3.11Å; Q474-D476 VanDerWaalsContact C-N 3.34Å; Q474-D476 PolarHBondContact O-N 3.34Å; D476-R479 WeakPolarHBondContact O-CB 3.33Å; D476-R479 PolarHBondContact O-N 2.96Å; D476-R479 IonicContact OD1-CZ 2.67Å; D476-R479 IonicContact OD1-NH1 2.91Å; D476-R479 PolarHBondContact OD1-NH1 3.05Å; D476-R479 IonicContact OD1-NH2 2.66Å; D476-R479 PolarHBondContact OD1-NH2 3.36Å; D476-E480 PolarHBondContact O-N 3.4Å
477L87.8Confident87.6Confident110 Ų11094.3 Ų94.358%0.57648%0.477SS*.Hα-helixtrans-64.1-37.7172.6-83.4166.6000113.2A473 Q474 R479 E480 K481A473-L477 WeakPolarHBondContact O-CB 3.15Å; A473-L477 WeakPolarHBondContact O-CG 3.44Å; A473-L477 PolarHBondContact O-N 2.84Å; Q474-L477 PolarHBondContact O-N 2.89Å; L477-R479 VanDerWaalsContact C-N 3.31Å; L477-E480 PolarHBondContact O-N 3.03Å; L477-K481 WeakPolarHBondContact O-CB 3.33Å; L477-K481 PolarHBondContact O-N 2.7Å
478E87.2Confident87.5Confident108 Ų10896.9 Ų96.951%0.50549%0.487SS..Hα-helixtrans-67.6-33175-76.6174.4-163.300111.5Q474 V475 K482Q474-E478 HydrophobicContact CG-CG 4.5Å; Q474-E478 WeakPolarHBondContact CG-OE1 3.38Å; Q474-E478 PolarHBondContact NE2-OE1 3.26Å; Q474-E478 WeakPolarHBondContact O-CB 3.36Å; Q474-E478 WeakPolarHBondContact O-CG 3.42Å; Q474-E478 PolarHBondContact O-N 2.9Å; V475-E478 PolarHBondContact O-N 3.41Å; E478-K482 PolarHBondContact O-N 2.91Å; E478-K482 VanDerWaalsContact O-N 3.16Å
479R90.1Very high87.5Confident117 Ų117100.2 Ų100.244%0.44250%0.496SS..Hα-helixtrans-68-51.8170.5-170-170.265.1-111.4-11.8111.6V475 D476 L477 K481 K482 E483V475-R479 PolarHBondContact O-N 2.94Å; D476-R479 WeakPolarHBondContact O-CB 3.33Å; D476-R479 PolarHBondContact O-N 2.96Å; D476-R479 IonicContact OD1-CZ 2.67Å; D476-R479 IonicContact OD1-NH1 2.91Å; D476-R479 PolarHBondContact OD1-NH1 3.05Å; D476-R479 IonicContact OD1-NH2 2.66Å; D476-R479 PolarHBondContact OD1-NH2 3.36Å; L477-R479 VanDerWaalsContact C-N 3.31Å; R479-K481 VanDerWaalsContact C-N 3.32Å; R479-K481 PolarHBondContact O-N 2.78Å; R479-K482 PolarHBondContact O-N 3.34Å; R479-E483 VanDerWaalsContact CD-OE1 3.26Å; R479-E483 WeakPolarHBondContact CD-OE1 3.33Å; R479-E483 HydrophobicContact CG-CG 4.5Å; R479-E483 VanDerWaalsContact CG-OE1 3.27Å; R479-E483 WeakPolarHBondContact CG-OE1 3.41Å; R479-E483 IonicContact NE-OE1 3.56Å; R479-E483 PolarHBondContact NE-OE1 3.28Å; R479-E483 WeakPolarHBondContact O-CG 3.23Å; R479-E483 PolarHBondContact O-N 2.67Å
480E88.3Confident87.3Confident102 Ų102102.1 Ų102.148%0.47750%0.496SS..Hα-helixtrans-60-41.2179-74.1-179.4179.900111.9D476 L477 K482 E483 L484D476-E480 PolarHBondContact O-N 3.4Å; L477-E480 PolarHBondContact O-N 3.03Å; E480-K482 VanDerWaalsContact C-N 3.32Å; E480-K482 PolarHBondContact O-N 3.41Å; E480-E483 PolarHBondContact O-N 3.03Å; E480-L484 WeakPolarHBondContact O-CB 3.33Å; E480-L484 WeakPolarHBondContact O-CG 3.5Å; E480-L484 PolarHBondContact O-N 2.72Å
481K88.9Confident87.4Confident115 Ų115104.5 Ų104.550%0.550%0.5SS..Hα-helixtrans-56.1-47.1172178.5-178175.4-80.60111.1L477 R479 L484 E485L477-K481 WeakPolarHBondContact O-CB 3.33Å; L477-K481 PolarHBondContact O-N 2.7Å; R479-K481 VanDerWaalsContact C-N 3.32Å; R479-K481 PolarHBondContact O-N 2.78Å; K481-L484 WeakPolarHBondContact O-CB 3.32Å; K481-L484 PolarHBondContact O-N 3.4Å; K481-E485 WeakPolarHBondContact CE-OE1 3.43Å; K481-E485 IonicContact NZ-OE1 3Å; K481-E485 PolarHBondContact NZ-OE1 2.82Å; K481-E485 IonicContact NZ-OE2 3.58Å; K481-E485 PolarHBondContact NZ-OE2 3.35Å; K481-E485 WeakPolarHBondContact O-CG 3.21Å; K481-E485 PolarHBondContact O-N 2.82Å
482K89.7Confident87.2Confident122 Ų12299.3 Ų99.353%0.5349%0.49SS..Hα-helixtrans-65.5-43.7178.6-173.7-179.6175.3-174.80111.9E478 R479 E480 L484 E485 D486E478-K482 PolarHBondContact O-N 2.91Å; E478-K482 VanDerWaalsContact O-N 3.16Å; R479-K482 PolarHBondContact O-N 3.34Å; E480-K482 VanDerWaalsContact C-N 3.32Å; E480-K482 PolarHBondContact O-N 3.41Å; K482-L484 PolarHBondContact O-N 2.88Å; K482-E485 PolarHBondContact O-N 3.38Å; K482-E485 VanDerWaalsContact O-N 3.12Å; K482-D486 WeakPolarHBondContact O-CB 3.17Å; K482-D486 VanDerWaalsContact O-CG 3.27Å; K482-D486 PolarHBondContact O-N 2.92Å
483E87.6Confident87.1Confident100 Ų10097.3 Ų97.347%0.46748%0.483SS..Hα-helixtrans-60.1-32.7176.7-71.4174.6-156.100111.8R479 E480 S487R479-E483 VanDerWaalsContact CD-OE1 3.26Å; R479-E483 WeakPolarHBondContact CD-OE1 3.33Å; R479-E483 HydrophobicContact CG-CG 4.5Å; R479-E483 VanDerWaalsContact CG-OE1 3.27Å; R479-E483 WeakPolarHBondContact CG-OE1 3.41Å; R479-E483 IonicContact NE-OE1 3.56Å; R479-E483 PolarHBondContact NE-OE1 3.28Å; R479-E483 WeakPolarHBondContact O-CG 3.23Å; R479-E483 PolarHBondContact O-N 2.67Å; E480-E483 PolarHBondContact O-N 3.03Å; E483-S487 VanDerWaalsContact O-CB 3.28Å; E483-S487 WeakPolarHBondContact O-CB 3.28Å; E483-S487 PolarHBondContact O-N 2.69Å; E483-S487 VanDerWaalsContact O-N 3.17Å; E483-S487 PolarHBondContact O-OG 2.78Å
484L87.3Confident86.8Confident124 Ų124100.1 Ų100.165%0.64949%0.487SS*.Hα-helixtrans-73.5-41.3171.6-71.3168.5000113.1E480 K481 K482 S487 L488E480-L484 WeakPolarHBondContact O-CB 3.33Å; E480-L484 WeakPolarHBondContact O-CG 3.5Å; E480-L484 PolarHBondContact O-N 2.72Å; K481-L484 WeakPolarHBondContact O-CB 3.32Å; K481-L484 PolarHBondContact O-N 3.4Å; K482-L484 PolarHBondContact O-N 2.88Å; L484-S487 PolarHBondContact O-N 2.85Å; L484-L488 WeakPolarHBondContact O-CB 3.33Å; L484-L488 PolarHBondContact O-N 3.49Å
485E87.6Confident86.6Confident96 Ų9696.6 Ų96.645%0.44948%0.48SS..Hα-helixtrans-62.4-49.9174.4-74.8174.3142.300111.1K481 K482 S487 L488 E489K481-E485 WeakPolarHBondContact CE-OE1 3.43Å; K481-E485 IonicContact NZ-OE1 3Å; K481-E485 PolarHBondContact NZ-OE1 2.82Å; K481-E485 IonicContact NZ-OE2 3.58Å; K481-E485 PolarHBondContact NZ-OE2 3.35Å; K481-E485 WeakPolarHBondContact O-CG 3.21Å; K481-E485 PolarHBondContact O-N 2.82Å; K482-E485 PolarHBondContact O-N 3.38Å; K482-E485 VanDerWaalsContact O-N 3.12Å; E485-S487 PolarHBondContact O-N 2.59Å; E485-S487 VanDerWaalsContact O-N 3.15Å; E485-L488 PolarHBondContact O-N 3.11Å; E485-L488 VanDerWaalsContact O-N 3.15Å; E485-E489 PolarHBondContact O-N 2.89Å
486D87.6Confident86.1Confident65 Ų6598.9 Ų98.935%0.34849%0.485SS..Hα-helixtrans-57.9-28.1173.8-67.5-7000111.5K482 R490K482-D486 WeakPolarHBondContact O-CB 3.17Å; K482-D486 VanDerWaalsContact O-CG 3.27Å; K482-D486 PolarHBondContact O-N 2.92Å; D486-R490 VanDerWaalsContact C-NH2 3.33Å; D486-R490 WeakPolarHBondContact O-CG 3.49Å; D486-R490 PolarHBondContact O-N 2.99Å; D486-R490 PolarHBondContact O-NE 3.22Å; D486-R490 PolarHBondContact O-NH2 2.81Å
487S86.4Confident85.8Confident40 Ų40104 Ų10428%0.2850%0.501SS..Hα-helixtrans-84.4-36.2178-62.40000112.8E483 L484 E485 E489 R490 I491E483-S487 VanDerWaalsContact O-CB 3.28Å; E483-S487 WeakPolarHBondContact O-CB 3.28Å; E483-S487 PolarHBondContact O-N 2.69Å; E483-S487 VanDerWaalsContact O-N 3.17Å; E483-S487 PolarHBondContact O-OG 2.78Å; L484-S487 PolarHBondContact O-N 2.85Å; E485-S487 PolarHBondContact O-N 2.59Å; E485-S487 VanDerWaalsContact O-N 3.15Å; S487-E489 VanDerWaalsContact C-N 3.34Å; S487-R490 PolarHBondContact O-N 2.95Å; S487-R490 PolarHBondContact OG-NH2 3.32Å; S487-I491 WeakPolarHBondContact O-CG1 3.37Å; S487-I491 PolarHBondContact O-N 3.15Å
488L85.1Confident85.5Confident123 Ų123103.8 Ų103.864%0.64450%0.496SS*.Hα-helixtrans-64.4-41.1174.3-175.766.7000110.8L484 E485 I491 S492L484-L488 WeakPolarHBondContact O-CB 3.33Å; L484-L488 PolarHBondContact O-N 3.49Å; E485-L488 PolarHBondContact O-N 3.11Å; E485-L488 VanDerWaalsContact O-N 3.15Å; L488-I491 PolarHBondContact O-N 3.28Å; L488-S492 WeakPolarHBondContact O-CB 3.2Å; L488-S492 PolarHBondContact O-N 2.93Å
489E86.5Confident85.2Confident136 Ų136102.3 Ų102.364%0.63649%0.494SS*.Hα-helixtrans-60.1-49.1174-170.8169.3-130.400111E485 S487 I491 S492 D493E485-E489 PolarHBondContact O-N 2.89Å; S487-E489 VanDerWaalsContact C-N 3.34Å; E489-I491 VanDerWaalsContact C-N 3.3Å; E489-I491 PolarHBondContact O-N 2.9Å; E489-S492 WeakPolarHBondContact O-CB 3.44Å; E489-S492 PolarHBondContact O-N 3.41Å; E489-S492 VanDerWaalsContact O-N 3.12Å; E489-D493 WeakPolarHBondContact O-CB 3.32Å; E489-D493 PolarHBondContact O-N 3.5Å
490R85.6Confident84.8Confident156 Ų156102.1 Ų102.159%0.58950%0.498SS*.Hα-helixtrans-57.7-36.6174.7-81.6175.1-80.8156.1-2.1113.9D486 S487 Q494D486-R490 VanDerWaalsContact C-NH2 3.33Å; D486-R490 WeakPolarHBondContact O-CG 3.49Å; D486-R490 PolarHBondContact O-N 2.99Å; D486-R490 PolarHBondContact O-NE 3.22Å; D486-R490 PolarHBondContact O-NH2 2.81Å; S487-R490 PolarHBondContact O-N 2.95Å; S487-R490 PolarHBondContact OG-NH2 3.32Å; R490-Q494 WeakPolarHBondContact O-CB 3.47Å; R490-Q494 PolarHBondContact O-N 2.61Å; R490-Q494 VanDerWaalsContact O-N 3.1Å
491I85.5Confident84.4Confident111 Ų111102.5 Ų102.557%0.56950%0.5SS*.Hα-helixtrans-72.2-40.2176.2-69.9166.4000111S487 L488 E489 Q494 G495S487-I491 WeakPolarHBondContact O-CG1 3.37Å; S487-I491 PolarHBondContact O-N 3.15Å; L488-I491 PolarHBondContact O-N 3.28Å; E489-I491 VanDerWaalsContact C-N 3.3Å; E489-I491 PolarHBondContact O-N 2.9Å; I491-Q494 PolarHBondContact O-N 2.87Å; I491-G495 PolarHBondContact O-N 3.26Å
492S82.8Confident83.9Confident66 Ų66103.5 Ų103.546%0.46251%0.507SS..Hα-helixtrans-59.5-47.7174.1-171.10000111.1L488 E489 Q494 G495 Q496L488-S492 WeakPolarHBondContact O-CB 3.2Å; L488-S492 PolarHBondContact O-N 2.93Å; E489-S492 WeakPolarHBondContact O-CB 3.44Å; E489-S492 PolarHBondContact O-N 3.41Å; E489-S492 VanDerWaalsContact O-N 3.12Å; S492-Q494 VanDerWaalsContact C-N 3.34Å; S492-Q494 PolarHBondContact O-N 2.95Å; S492-G495 WeakPolarHBondContact O-CA 3.4Å; S492-G495 PolarHBondContact O-N 3.4Å; S492-G495 VanDerWaalsContact O-N 3.08Å; S492-Q496 PolarHBondContact O-N 3.34Å
493D83.6Confident83.5Confident64 Ų64102.7 Ų102.734%0.34251%0.508SS..Hα-helixtrans-57.8-44176.1-123.252.4000112.1E489 G495 Q496 R497E489-D493 WeakPolarHBondContact O-CB 3.32Å; E489-D493 PolarHBondContact O-N 3.5Å; D493-G495 VanDerWaalsContact C-N 3.34Å; D493-Q496 PolarHBondContact O-N 3.04Å; D493-R497 VanDerWaalsContact O-CG 3.28Å; D493-R497 WeakPolarHBondContact O-CG 3.34Å; D493-R497 PolarHBondContact O-N 2.92Å; D493-R497 IonicContact OD2-CZ 2.79Å; D493-R497 IonicContact OD2-NE 2.99Å; D493-R497 IonicContact OD2-NH2 3.89Å; D493-R497 PolarHBondContact OD2-NH2 3.05Å
494Q81.6Confident83.2Confident110 Ų110103.6 Ų103.651%0.51451%0.512SS..Hα-helixtrans-67.6-34.6175.9-166.6-17946.100112.2R490 I491 S492 K498R490-Q494 WeakPolarHBondContact O-CB 3.47Å; R490-Q494 PolarHBondContact O-N 2.61Å; R490-Q494 VanDerWaalsContact O-N 3.1Å; I491-Q494 PolarHBondContact O-N 2.87Å; S492-Q494 VanDerWaalsContact C-N 3.34Å; S492-Q494 PolarHBondContact O-N 2.95Å; Q494-K498 WeakPolarHBondContact O-CB 3.41Å; Q494-K498 WeakPolarHBondContact O-CG 3.3Å; Q494-K498 PolarHBondContact O-N 2.88Å
495G81.4Confident82.9Confident35 Ų35102 Ų10236%0.36151%0.507SS..Hα-helixtrans-64.6-45.4173.500000112.7I491 S492 D493 K498 T499I491-G495 PolarHBondContact O-N 3.26Å; S492-G495 WeakPolarHBondContact O-CA 3.4Å; S492-G495 PolarHBondContact O-N 3.4Å; S492-G495 VanDerWaalsContact O-N 3.08Å; D493-G495 VanDerWaalsContact C-N 3.34Å; G495-K498 PolarHBondContact O-N 2.99Å; G495-T499 WeakPolarHBondContact O-CB 3.34Å; G495-T499 PolarHBondContact O-N 3.36Å; G495-T499 PolarHBondContact O-OG1 2.85Å
496Q81.1Confident82.5Confident130 Ų130101.8 Ų101.861%0.60751%0.508SS*.Hα-helixtrans-61.5-47.3174.6-70.1-169.86.100111.8S492 D493 K498 T499 Q500S492-Q496 PolarHBondContact O-N 3.34Å; D493-Q496 PolarHBondContact O-N 3.04Å; Q496-K498 PolarHBondContact O-N 3.37Å; Q496-T499 WeakPolarHBondContact O-CB 3.46Å; Q496-T499 PolarHBondContact O-N 2.76Å; Q496-T499 VanDerWaalsContact O-N 3.08Å; Q496-Q500 PolarHBondContact O-N 3.39Å
497R80.7Confident82.3Confident154 Ų154103.2 Ų103.258%0.58151%0.513SS*.Hα-helixtrans-60.2-44.2177.9-67.2171.7-156.2-158.86.1112.3D493 T499 Q500 E501D493-R497 VanDerWaalsContact O-CG 3.28Å; D493-R497 WeakPolarHBondContact O-CG 3.34Å; D493-R497 PolarHBondContact O-N 2.92Å; D493-R497 IonicContact OD2-CZ 2.79Å; D493-R497 IonicContact OD2-NE 2.99Å; D493-R497 IonicContact OD2-NH2 3.89Å; D493-R497 PolarHBondContact OD2-NH2 3.05Å; R497-T499 VanDerWaalsContact C-N 3.27Å; R497-T499 PolarHBondContact O-N 3.29Å; R497-Q500 WeakPolarHBondContact O-CB 3.43Å; R497-Q500 PolarHBondContact O-N 2.81Å; R497-E501 VanDerWaalsContact O-CG 3.28Å; R497-E501 WeakPolarHBondContact O-CG 3.49Å; R497-E501 PolarHBondContact O-N 3.24Å
498K81.1Confident82Confident106 Ų106104 Ų10446%0.46152%0.518SS..Hα-helixtrans-63.5-31.4174.1-76.5177.7176.1176.90113.5Q494 G495 Q496 Q502Q494-K498 WeakPolarHBondContact O-CB 3.41Å; Q494-K498 WeakPolarHBondContact O-CG 3.3Å; Q494-K498 PolarHBondContact O-N 2.88Å; G495-K498 PolarHBondContact O-N 2.99Å; Q496-K498 PolarHBondContact O-N 3.37Å; K498-Q502 WeakPolarHBondContact O-CB 3.01Å; K498-Q502 VanDerWaalsContact O-CG 3.23Å; K498-Q502 WeakPolarHBondContact O-CG 3.48Å; K498-Q502 PolarHBondContact O-N 3.29Å
499T80.1Confident81.7Confident77 Ų77102.8 Ų102.847%0.47251%0.512SS..Hα-helixtrans-72.8-38.5175.9-52.40000111G495 Q496 R497 Q502 L503G495-T499 WeakPolarHBondContact O-CB 3.34Å; G495-T499 PolarHBondContact O-N 3.36Å; G495-T499 PolarHBondContact O-OG1 2.85Å; Q496-T499 WeakPolarHBondContact O-CB 3.46Å; Q496-T499 PolarHBondContact O-N 2.76Å; Q496-T499 VanDerWaalsContact O-N 3.08Å; R497-T499 VanDerWaalsContact C-N 3.27Å; R497-T499 PolarHBondContact O-N 3.29Å; T499-Q502 PolarHBondContact O-N 3.46Å; T499-L503 WeakPolarHBondContact O-CG 3.32Å; T499-L503 PolarHBondContact O-N 2.86Å
500Q81.8Confident81.4Confident112 Ų112101.2 Ų101.252%0.52350%0.503SS..Hα-helixtrans-61.5-50.7171.7-172.274.929.200111.1Q496 R497 Q502 L503 E504Q496-Q500 PolarHBondContact O-N 3.39Å; R497-Q500 WeakPolarHBondContact O-CB 3.43Å; R497-Q500 PolarHBondContact O-N 2.81Å; Q500-Q502 VanDerWaalsContact C-N 3.32Å; Q500-Q502 PolarHBondContact O-N 3.26Å; Q500-L503 PolarHBondContact O-N 3.18Å; Q500-L503 VanDerWaalsContact O-N 3.13Å; Q500-E504 PolarHBondContact NE2-OE1 3.04Å; Q500-E504 PolarHBondContact O-N 2.85Å
501E80.5Confident81Confident111 Ų111100.4 Ų100.452%0.51951%0.506SS..Hα-helixtrans-56.3-42.8174.9-70.8162.3-17300111.8R497 E504 V505R497-E501 VanDerWaalsContact O-CG 3.28Å; R497-E501 WeakPolarHBondContact O-CG 3.49Å; R497-E501 PolarHBondContact O-N 3.24Å; E501-E504 PolarHBondContact O-N 2.85Å; E501-V505 WeakPolarHBondContact O-CB 3.37Å; E501-V505 WeakPolarHBondContact O-CG2 3.47Å; E501-V505 PolarHBondContact O-N 2.83Å
502Q78.8Confident80.7Confident136 Ų136100 Ų10064%0.63650%0.502SS*.Hα-helixtrans-66.3-35.2176.9-78.6176-0.200113.2K498 T499 Q500 L506K498-Q502 WeakPolarHBondContact O-CB 3.01Å; K498-Q502 VanDerWaalsContact O-CG 3.23Å; K498-Q502 WeakPolarHBondContact O-CG 3.48Å; K498-Q502 PolarHBondContact O-N 3.29Å; T499-Q502 PolarHBondContact O-N 3.46Å; Q500-Q502 VanDerWaalsContact C-N 3.32Å; Q500-Q502 PolarHBondContact O-N 3.26Å; Q502-L506 WeakPolarHBondContact O-CB 3.49Å; Q502-L506 PolarHBondContact O-N 2.78Å
503L81.4Confident80.5Confident105 Ų105102 Ų10255%0.5551%0.506SS..Hα-helixtrans-68.3-40.8174.4-75.1165.6000111.6T499 Q500 L506 E507T499-L503 WeakPolarHBondContact O-CG 3.32Å; T499-L503 PolarHBondContact O-N 2.86Å; Q500-L503 PolarHBondContact O-N 3.18Å; Q500-L503 VanDerWaalsContact O-N 3.13Å; L503-L506 PolarHBondContact O-N 2.92Å; L503-E507 PolarHBondContact O-N 3Å
504E81.5Confident80.2Confident119 Ų119100.9 Ų100.956%0.55651%0.506SS*.Hα-helixtrans-66.6-43.1177.3-71.1171.4-164.200111.7Q500 E501 L506 E507 S508Q500-E504 PolarHBondContact NE2-OE1 3.04Å; Q500-E504 PolarHBondContact O-N 2.85Å; E501-E504 PolarHBondContact O-N 2.85Å; E504-L506 PolarHBondContact O-N 2.98Å; E504-E507 PolarHBondContact O-N 3.23Å; E504-S508 PolarHBondContact O-N 2.85Å
505V81.1Confident80Confident89 Ų8998.3 Ų98.354%0.53950%0.498SS..Hα-helixtrans-62.1-41.6172.4169.30000111.6E501 E507 S508 L509E501-V505 WeakPolarHBondContact O-CB 3.37Å; E501-V505 WeakPolarHBondContact O-CG2 3.47Å; E501-V505 PolarHBondContact O-N 2.83Å; V505-E507 VanDerWaalsContact C-N 3.32Å; V505-E507 PolarHBondContact O-N 2.96Å; V505-S508 WeakPolarHBondContact O-CB 3.32Å; V505-S508 PolarHBondContact O-N 3.06Å; V505-L509 HydrophobicContact CG1-CD1 3.96Å; V505-L509 HydrophobicContact CG1-CG 4.45Å; V505-L509 WeakPolarHBondContact O-CG 3.37Å; V505-L509 PolarHBondContact O-N 2.81Å
506L79.1Confident79.6Confident92 Ų9299.2 Ų99.248%0.48250%0.499SS..Hα-helixtrans-65.9-33.7178.7-172.9149.4000112.1Q502 L503 E504 K510Q502-L506 WeakPolarHBondContact O-CB 3.49Å; Q502-L506 PolarHBondContact O-N 2.78Å; L503-L506 PolarHBondContact O-N 2.92Å; E504-L506 PolarHBondContact O-N 2.98Å; L506-K510 HydrophobicContact CD2-CD 4.46Å; L506-K510 WeakPolarHBondContact O-CG 3.17Å; L506-K510 PolarHBondContact O-N 3.45Å
507E82.6Confident79.3Confident95 Ų9598.4 Ų98.444%0.44450%0.495SS..Hα-helixtrans-72.8-35.7173.8-151.663.8-146.700112.3L503 E504 V505 K510 Q511L503-E507 PolarHBondContact O-N 3Å; E504-E507 PolarHBondContact O-N 3.23Å; V505-E507 VanDerWaalsContact C-N 3.32Å; V505-E507 PolarHBondContact O-N 2.96Å; E507-K510 PolarHBondContact O-N 2.99Å; E507-K510 WeakPolarHBondContact OE1-CD 3.47Å; E507-K510 IonicContact OE1-NZ 3.48Å; E507-K510 PolarHBondContact OE1-NZ 2.94Å; E507-K510 IonicContact OE2-NZ 3.26Å; E507-K510 PolarHBondContact OE2-NZ 2.78Å; E507-Q511 PolarHBondContact O-N 3.46Å
508S79.9Confident79Confident56 Ų5698.2 Ų98.239%0.39249%0.494SS..Hα-helixtrans-60.1-47.7170.9-163.90000111.5E504 V505 K510 Q511 E512E504-S508 PolarHBondContact O-N 2.85Å; V505-S508 WeakPolarHBondContact O-CB 3.32Å; V505-S508 PolarHBondContact O-N 3.06Å; S508-K510 VanDerWaalsContact C-N 3.26Å; S508-K510 PolarHBondContact O-N 3.28Å; S508-Q511 WeakPolarHBondContact O-CA 3.35Å; S508-Q511 WeakPolarHBondContact O-CB 2.78Å; S508-Q511 PolarHBondContact O-N 2.87Å; S508-E512 PolarHBondContact O-N 3.5Å
509L79.8Confident78.7Confident98 Ų9898.6 Ų98.651%0.51350%0.498SS..Hα-helixtrans-62.4-29.9178.9-71.8168.5000113V505 L513V505-L509 HydrophobicContact CG1-CD1 3.96Å; V505-L509 HydrophobicContact CG1-CG 4.45Å; V505-L509 WeakPolarHBondContact O-CG 3.37Å; V505-L509 PolarHBondContact O-N 2.81Å; L509-L513 WeakPolarHBondContact O-CB 3.28Å; L509-L513 PolarHBondContact O-N 3.21Å
510K79.7Confident78.1Confident104 Ų10499.9 Ų99.945%0.45250%0.501SS..Hα-helixtrans-66.2-39.8170.3-72.4169.9-175.9163.40112.2L506 E507 S508 A514L506-K510 HydrophobicContact CD2-CD 4.46Å; L506-K510 WeakPolarHBondContact O-CG 3.17Å; L506-K510 PolarHBondContact O-N 3.45Å; E507-K510 PolarHBondContact O-N 2.99Å; E507-K510 WeakPolarHBondContact OE1-CD 3.47Å; E507-K510 IonicContact OE1-NZ 3.48Å; E507-K510 PolarHBondContact OE1-NZ 2.94Å; E507-K510 IonicContact OE2-NZ 3.26Å; E507-K510 PolarHBondContact OE2-NZ 2.78Å; S508-K510 VanDerWaalsContact C-N 3.26Å; S508-K510 PolarHBondContact O-N 3.28Å; K510-A514 WeakPolarHBondContact O-CB 3.47Å; K510-A514 PolarHBondContact O-N 2.81Å
511Q78.1Confident77.5Confident138 Ų138101.2 Ų101.265%0.64551%0.507SS*.Hα-helixtrans-67.2-42.3177.4-66.1-169.54.200111.2E507 S508 A514 T515E507-Q511 PolarHBondContact O-N 3.46Å; S508-Q511 WeakPolarHBondContact O-CA 3.35Å; S508-Q511 WeakPolarHBondContact O-CB 2.78Å; S508-Q511 PolarHBondContact O-N 2.87Å; Q511-A514 CarbonylContact O-C 3.49Å; Q511-A514 PolarHBondContact O-N 3.39Å; Q511-T515 PolarHBondContact O-N 3.09Å; Q511-T515 PolarHBondContact O-OG1 2.75Å
512E78Confident77.2Confident104 Ų104101 Ų10149%0.48651%0.513SS..Hα-helixtrans-62.6-44.4175.6-71.1173.3-161.400112.2S508 A514 T515 S516S508-E512 PolarHBondContact O-N 3.5Å; E512-A514 VanDerWaalsContact C-N 3.29Å; E512-A514 PolarHBondContact O-N 3.04Å; E512-T515 WeakPolarHBondContact CA-OG1 3.32Å; E512-T515 PolarHBondContact O-N 3.3Å; E512-T515 VanDerWaalsContact O-N 3.1Å; E512-T515 PolarHBondContact O-OG1 2.97Å; E512-S516 PolarHBondContact O-N 2.89Å; E512-S516 PolarHBondContact O-OG 2.87Å
513L78.1Confident76.4Confident107 Ų10799.8 Ų99.856%0.5651%0.51SS*.Hα-helixtrans-59.1-41.6173.2-178.962.7000111.5L509 T515 S516 Q517L509-L513 WeakPolarHBondContact O-CB 3.28Å; L509-L513 PolarHBondContact O-N 3.21Å; L513-T515 VanDerWaalsContact C-N 3.29Å; L513-T515 PolarHBondContact O-N 2.82Å; L513-S516 PolarHBondContact O-N 3.44Å; L513-Q517 WeakPolarHBondContact O-CB 3.38Å; L513-Q517 VanDerWaalsContact O-CG 3.29Å; L513-Q517 WeakPolarHBondContact O-CG 3.47Å; L513-Q517 PolarHBondContact O-N 3.09Å
514A77.6Confident75.7Confident40 Ų40101 Ų10133%0.33151%0.513SS..Hα-helixtrans-70.4-20.5177.400000113.5K510 Q511 E512 R518K510-A514 WeakPolarHBondContact O-CB 3.47Å; K510-A514 PolarHBondContact O-N 2.81Å; Q511-A514 CarbonylContact O-C 3.49Å; Q511-A514 PolarHBondContact O-N 3.39Å; E512-A514 VanDerWaalsContact C-N 3.29Å; E512-A514 PolarHBondContact O-N 3.04Å; A514-R518 VanDerWaalsContact C-NH2 3.28Å; A514-R518 PolarHBondContact O-NE 3.16Å; A514-R518 PolarHBondContact O-NH2 3.23Å
515T77.7Confident74.8Confident57 Ų5797.6 Ų97.635%0.3551%0.511SS..Hα-helixtrans-81.2-46.7168.641.30000111.7Q511 E512 L513 Q517 R518 E519Q511-T515 PolarHBondContact O-N 3.09Å; Q511-T515 PolarHBondContact O-OG1 2.75Å; E512-T515 WeakPolarHBondContact CA-OG1 3.32Å; E512-T515 PolarHBondContact O-N 3.3Å; E512-T515 VanDerWaalsContact O-N 3.1Å; E512-T515 PolarHBondContact O-OG1 2.97Å; L513-T515 VanDerWaalsContact C-N 3.29Å; L513-T515 PolarHBondContact O-N 2.82Å; T515-Q517 PolarHBondContact O-N 3.04Å; T515-R518 WeakPolarHBondContact O-CA 3.23Å; T515-R518 WeakPolarHBondContact O-CB 3.5Å; T515-R518 PolarHBondContact O-N 2.88Å; T515-E519 PolarHBondContact O-N 2.93Å; T515-E519 VanDerWaalsContact O-N 3.1Å
516S72.6Confident74Confident53 Ų5396.5 Ų96.537%0.37151%0.507SS..Hα-helixtrans-62-30.9179.1-57.80000113E512 L513 R518 E519 L520E512-S516 PolarHBondContact O-N 2.89Å; E512-S516 PolarHBondContact O-OG 2.87Å; L513-S516 PolarHBondContact O-N 3.44Å; S516-R518 VanDerWaalsContact C-N 3.3Å; S516-R518 PolarHBondContact O-N 3.49Å; S516-E519 PolarHBondContact O-N 3.38Å; S516-L520 WeakPolarHBondContact O-CB 3.41Å; S516-L520 PolarHBondContact O-N 3.14Å
517Q75.9Confident73Confident114 Ų11497.4 Ų97.453%0.53351%0.512SS..Hα-helixtrans-63.3-31.1171.4-77.2175.6-0.600113.7L513 T515L513-Q517 WeakPolarHBondContact O-CB 3.38Å; L513-Q517 VanDerWaalsContact O-CG 3.29Å; L513-Q517 WeakPolarHBondContact O-CG 3.47Å; L513-Q517 PolarHBondContact O-N 3.09Å; T515-Q517 PolarHBondContact O-N 3.04Å
518R74.8Confident71.9Confident149 Ų149100.7 Ų100.756%0.56253%0.527SS*.Hα-helixtrans-78.3-36.7174.3-80.5169.9-82.6152-6.8111.7A514 T515 S516 Q521 V522A514-R518 VanDerWaalsContact C-NH2 3.28Å; A514-R518 PolarHBondContact O-NE 3.16Å; A514-R518 PolarHBondContact O-NH2 3.23Å; T515-R518 WeakPolarHBondContact O-CA 3.23Å; T515-R518 WeakPolarHBondContact O-CB 3.5Å; T515-R518 PolarHBondContact O-N 2.88Å; S516-R518 VanDerWaalsContact C-N 3.3Å; S516-R518 PolarHBondContact O-N 3.49Å; R518-Q521 PolarHBondContact O-N 3.35Å; R518-V522 PolarHBondContact O-N 3.33Å
519E74.2Confident70.9Confident115 Ų115103.3 Ų103.354%0.53754%0.541SS..Hα-helixtrans-65.5-38.7175.6-67168.4166.500111.7T515 S516 Q521 V522 L523T515-E519 PolarHBondContact O-N 2.93Å; T515-E519 VanDerWaalsContact O-N 3.1Å; S516-E519 PolarHBondContact O-N 3.38Å; E519-Q521 VanDerWaalsContact C-N 3.31Å; E519-Q521 PolarHBondContact O-N 3.04Å; E519-V522 PolarHBondContact O-N 3.25Å; E519-V522 VanDerWaalsContact O-N 3.09Å; E519-L523 PolarHBondContact O-N 3.28Å
520L67.1Low69.8Low104 Ų104100.9 Ų100.955%0.54553%0.532SS..Hα-helixtrans-59-36.8173.3-85.8165.3000113.4S516 V522 L523 Q524S516-L520 WeakPolarHBondContact O-CB 3.41Å; S516-L520 PolarHBondContact O-N 3.14Å; L520-V522 VanDerWaalsContact C-N 3.33Å; L520-V522 PolarHBondContact O-N 2.73Å; L520-L523 PolarHBondContact O-N 2.92Å; L520-Q524 WeakPolarHBondContact O-CG 3.3Å; L520-Q524 PolarHBondContact O-N 3.17Å
521Q70.1Confident68.9Low139 Ų13998.4 Ų98.465%0.6553%0.531SS*.Hα-helixtrans-66.9-33.4174.8-74.7-172.8-3900112.7R518 E519R518-Q521 PolarHBondContact O-N 3.35Å; E519-Q521 VanDerWaalsContact C-N 3.31Å; E519-Q521 PolarHBondContact O-N 3.04Å
522V72.3Confident67.9Low106 Ų10699.1 Ų99.164%0.64253%0.534SS*.Hα-helixtrans-72.3-37.7175.1179.90000111R518 E519 L520 G525 S526R518-V522 PolarHBondContact O-N 3.33Å; E519-V522 PolarHBondContact O-N 3.25Å; E519-V522 VanDerWaalsContact O-N 3.09Å; L520-V522 VanDerWaalsContact C-N 3.33Å; L520-V522 PolarHBondContact O-N 2.73Å; V522-G525 PolarHBondContact O-N 2.78Å; V522-S526 PolarHBondContact O-N 3.43Å; V522-S526 PolarHBondContact O-OG 3.46Å
523L63.7Low67Low111 Ų11196.6 Ų96.658%0.58153%0.528SS*.Hα-helixtrans-67.4-35.4175.3-71.4168.9000112.6E519 L520 G525 S526 L527E519-L523 PolarHBondContact O-N 3.28Å; L520-L523 PolarHBondContact O-N 2.92Å; L523-G525 VanDerWaalsContact C-N 3.33Å; L523-G525 PolarHBondContact O-N 3.48Å; L523-S526 WeakPolarHBondContact O-CA 3.46Å; L523-S526 WeakPolarHBondContact O-CB 3.26Å; L523-S526 PolarHBondContact O-N 2.88Å; L523-L527 PolarHBondContact O-N 2.89Å; L523-L527 VanDerWaalsContact O-N 3.14Å
524Q66.4Low66Low130 Ų13096.9 Ų96.961%0.60753%0.527SS*.Hα-helixtrans-59.2-41.6173.9-78.7-179.4-44.200112.4L520 S526 L527L520-Q524 WeakPolarHBondContact O-CG 3.3Å; L520-Q524 PolarHBondContact O-N 3.17Å; Q524-S526 PolarHBondContact O-N 2.87Å; Q524-L527 WeakPolarHBondContact O-CB 3.45Å; Q524-L527 PolarHBondContact O-N 3.4Å; Q524-L527 VanDerWaalsContact O-N 3.11Å
525G62.9Low65.2Low49 Ų4997.9 Ų97.951%0.50554%0.535SS..Hα-helixtrans-67-14.3173.500000114.8V522 L523V522-G525 PolarHBondContact O-N 2.78Å; L523-G525 VanDerWaalsContact C-N 3.33Å; L523-G525 PolarHBondContact O-N 3.48Å
526S62.4Low64.4Low65 Ų65101.1 Ų101.146%0.45555%0.55SS.*Hα-helixtrans-93.3-14.4173.9-52.90000112.9V522 L523 Q524 T529V522-S526 PolarHBondContact O-N 3.43Å; V522-S526 PolarHBondContact O-OG 3.46Å; L523-S526 WeakPolarHBondContact O-CA 3.46Å; L523-S526 WeakPolarHBondContact O-CB 3.26Å; L523-S526 PolarHBondContact O-N 2.88Å; Q524-S526 PolarHBondContact O-N 2.87Å; S526-T529 PolarHBondContact O-OG1 3.29Å; S526-T529 VanDerWaalsContact O-OG1 3.04Å
527L60.2Low63.6Low112 Ų112106.4 Ų106.459%0.58656%0.562SS**Hα-helixtrans-77.7-36.3178.9-172.462.4000111.6L523 Q524 T529 S530 A531L523-L527 PolarHBondContact O-N 2.89Å; L523-L527 VanDerWaalsContact O-N 3.14Å; Q524-L527 WeakPolarHBondContact O-CB 3.45Å; Q524-L527 PolarHBondContact O-N 3.4Å; Q524-L527 VanDerWaalsContact O-N 3.11Å; L527-T529 VanDerWaalsContact C-N 3.26Å; L527-T529 PolarHBondContact O-N 3.26Å; L527-S530 VanDerWaalsContact O-CB 3.31Å; L527-S530 WeakPolarHBondContact O-CB 3.43Å; L527-S530 PolarHBondContact O-N 2.99Å; L527-A531 PolarHBondContact O-N 2.83Å; L527-A531 VanDerWaalsContact O-N 3.17Å
528E57.7Low63Low164 Ų164103.9 Ų103.977%0.76656%0.561SS**Hα-helixtrans-63.6-29.6177.9-63.4-171.9148.900112.8
529T59.5Low62.4Low110 Ų110100.3 Ų100.368%0.67556%0.563SS**Hα-helixtrans-80.7-20.7172.753.10000113.1S526 L527S526-T529 PolarHBondContact O-OG1 3.29Å; S526-T529 VanDerWaalsContact O-OG1 3.04Å; L527-T529 VanDerWaalsContact C-N 3.26Å; L527-T529 PolarHBondContact O-N 3.26Å
530S57.4Low61.9Low48 Ų48100.8 Ų100.834%0.33657%0.565SS.*Hα-helixtrans-72.8-39.5173.2-168.10000112.2L527 Q532 S533 E534L527-S530 VanDerWaalsContact O-CB 3.31Å; L527-S530 WeakPolarHBondContact O-CB 3.43Å; L527-S530 PolarHBondContact O-N 2.99Å; S530-Q532 PolarHBondContact O-N 3.41Å; S530-Q532 VanDerWaalsContact O-N 3.09Å; S530-S533 WeakPolarHBondContact O-CB 3.39Å; S530-S533 PolarHBondContact O-N 3.43Å; S530-S533 PolarHBondContact O-OG 3.17Å; S530-E534 PolarHBondContact O-N 3.41Å
531A59.5Low61.5Low52 Ų52102 Ų10243%0.4357%0.566SS.*Hα-helixtrans-55.8-30.2-176.800000114L527 S533 E534L527-A531 PolarHBondContact O-N 2.83Å; L527-A531 VanDerWaalsContact O-N 3.17Å; A531-S533 PolarHBondContact O-N 3.18Å; A531-E534 PolarHBondContact O-N 2.86Å
532Q58.6Low61.5Low152 Ų15298.1 Ų98.171%0.7156%0.558SS**Hα-helixtrans-71.8-16.2177.2-167.855.480.700113.4S530S530-Q532 PolarHBondContact O-N 3.41Å; S530-Q532 VanDerWaalsContact O-N 3.09Å
533S59.1Low61.3Low52 Ų5298.8 Ų98.836%0.36455%0.554SS.*Hα-helixtrans-90.1-30.7174.3760000113.3S530 A531 A535 N536S530-S533 WeakPolarHBondContact O-CB 3.39Å; S530-S533 PolarHBondContact O-N 3.43Å; S530-S533 PolarHBondContact O-OG 3.17Å; A531-S533 PolarHBondContact O-N 3.18Å; S533-A535 PolarHBondContact O-N 3.1Å; S533-N536 PolarHBondContact O-N 3.05Å; S533-N536 VanDerWaalsContact O-N 3.09Å
534E56.3Low61.4Low112 Ų11298.5 Ų98.552%0.52355%0.553SS.*Hα-helixtrans-61.8-32.4179.8-64.4178.5153.800112.2S530 A531 N536 W537 A538S530-E534 PolarHBondContact O-N 3.41Å; A531-E534 PolarHBondContact O-N 2.86Å; E534-N536 PolarHBondContact O-N 3.05Å; E534-W537 PolarHBondContact O-N 3.38Å; E534-A538 PolarHBondContact O-N 3.11Å
535A61.4Low61.3Low61 Ų6196 Ų9650%0.50454%0.541SS..Hα-helixtrans-59.4-25.6175.200000114.2S533S533-A535 PolarHBondContact O-N 3.1Å
536N59.9Low61.6Low126 Ų126100 Ų10067%0.67455%0.545SS*.Hα-helixtrans-85.3-41.2175.5-68.6-25.5000111.5S533 E534 A538 A539S533-N536 PolarHBondContact O-N 3.05Å; S533-N536 VanDerWaalsContact O-N 3.09Å; E534-N536 PolarHBondContact O-N 3.05Å; N536-A538 VanDerWaalsContact C-N 3.27Å; N536-A538 PolarHBondContact O-N 3.46Å; N536-A539 PolarHBondContact O-N 2.81Å
537W56.1Low61.9Low164 Ų164103.1 Ų103.162%0.62155%0.552SS**Hα-helixtrans-62.6-33176-70114.2000112.8E534 A539 E540 F541E534-W537 PolarHBondContact O-N 3.38Å; W537-A539 PolarHBondContact O-N 3.1Å; W537-A539 VanDerWaalsContact O-N 3.15Å; W537-E540 VanDerWaalsContact CZ3-OE2 3.26Å; W537-E540 WeakPolarHBondContact CZ3-OE2 3.33Å; W537-E540 PolarHBondContact O-N 2.81Å; W537-F541 PolarHBondContact O-N 3.15Å
538A62.5Low62Low61 Ų61102.6 Ų102.650%0.50454%0.542SS..Hα-helixtrans-57.7-25.917600000113.8E534 N536E534-A538 PolarHBondContact O-N 3.11Å; N536-A538 VanDerWaalsContact C-N 3.27Å; N536-A538 PolarHBondContact O-N 3.46Å
539A63Low62.5Low73 Ų7399 Ų9960%0.60353%0.528SS*.Hα-helixtrans-78-35.9177.900000113.1N536 W537N536-A539 PolarHBondContact O-N 2.81Å; W537-A539 PolarHBondContact O-N 3.1Å; W537-A539 VanDerWaalsContact O-N 3.15Å
540E62.7Low62.9Low125 Ų12597.7 Ų97.758%0.58452%0.524SS*.Hα-helixtrans-74.4-34.2173.3-69.6-172.3135.300111.7W537 A542 E543 L544W537-E540 VanDerWaalsContact CZ3-OE2 3.26Å; W537-E540 WeakPolarHBondContact CZ3-OE2 3.33Å; W537-E540 PolarHBondContact O-N 2.81Å; E540-A542 VanDerWaalsContact C-N 3.25Å; E540-A542 PolarHBondContact O-N 2.91Å; E540-E543 PolarHBondContact O-N 3.12Å; E540-L544 PolarHBondContact O-N 2.9Å
541F60.1Low63.3Low129 Ų129101.2 Ų101.257%0.56654%0.538SS*.Hα-helixtrans-57.7-38.1178.8-134.6-93.9000112.3W537 E543 L544 E545W537-F541 PolarHBondContact O-N 3.15Å; F541-E543 PolarHBondContact O-N 2.77Å; F541-L544 PolarHBondContact O-N 2.99Å; F541-L544 VanDerWaalsContact O-N 3.13Å; F541-E545 HydrophobicContact CD1-CG 3.91Å; F541-E545 HydrophobicContact CE1-CG 4.35Å; F541-E545 WeakPolarHBondContact O-CG 3.44Å; F541-E545 PolarHBondContact O-N 3.31Å
542A69.3Low63.7Low59 Ų59102.6 Ų102.649%0.48854%0.541SS..Hα-helixtrans-66.6-28.2-175.400000115.1E540E540-A542 VanDerWaalsContact C-N 3.25Å; E540-A542 PolarHBondContact O-N 2.91Å
543E68.9Low64Low120 Ų12099.6 Ų99.656%0.56154%0.537SS*.Hα-helixtrans-81.2-34.2170-83.5-69.3126.900111.4E540 F541 K546 E547E540-E543 PolarHBondContact O-N 3.12Å; F541-E543 PolarHBondContact O-N 2.77Å; E543-K546 WeakPolarHBondContact O-CB 3.34Å; E543-K546 PolarHBondContact O-N 3.45Å; E543-K546 IonicContact OE1-NZ 2.76Å; E543-K546 PolarHBondContact OE1-NZ 2.99Å; E543-K546 IonicContact OE2-NZ 3.76Å; E543-K546 PolarHBondContact OE2-NZ 3.29Å; E543-E547 PolarHBondContact O-N 2.6Å
544L65Low64.4Low104 Ų10498.5 Ų98.555%0.54553%0.534SS..Hα-helixtrans-68-33.7176.1-69.7170.8000112.9E540 F541 K546 E547 R548E540-L544 PolarHBondContact O-N 2.9Å; F541-L544 PolarHBondContact O-N 2.99Å; F541-L544 VanDerWaalsContact O-N 3.13Å; L544-K546 PolarHBondContact O-N 3.44Å; L544-E547 PolarHBondContact O-N 3.23Å; L544-R548 WeakPolarHBondContact O-CB 3.48Å; L544-R548 PolarHBondContact O-N 2.94Å
545E64.1Low64.5Low78 Ų7895.6 Ų95.636%0.36453%0.529SS..Hα-helixtrans-61.8-32.6172.2-71.3-155.9101.200112.4F541 R548 D549F541-E545 HydrophobicContact CD1-CG 3.91Å; F541-E545 HydrophobicContact CE1-CG 4.35Å; F541-E545 WeakPolarHBondContact O-CG 3.44Å; F541-E545 PolarHBondContact O-N 3.31Å; E545-R548 WeakPolarHBondContact O-CB 3.41Å; E545-R548 PolarHBondContact O-N 2.83Å; E545-R548 IonicContact OE1-CZ 3.31Å; E545-R548 IonicContact OE1-NH1 3.16Å; E545-R548 PolarHBondContact OE1-NH1 2.69Å; E545-R548 IonicContact OE1-NH2 2.68Å; E545-R548 PolarHBondContact OE1-NH2 3.44Å; E545-D549 WeakPolarHBondContact O-CB 3.22Å; E545-D549 PolarHBondContact O-N 3.22Å
546K70.4Confident64.6Low134 Ų13495.5 Ų95.558%0.58353%0.528SS*.Hα-helixtrans-75.9-34.1-178.4-171.3-174.8174.5-161.10112.3E543 L544E543-K546 WeakPolarHBondContact O-CB 3.34Å; E543-K546 PolarHBondContact O-N 3.45Å; E543-K546 IonicContact OE1-NZ 2.76Å; E543-K546 PolarHBondContact OE1-NZ 2.99Å; E543-K546 IonicContact OE2-NZ 3.76Å; E543-K546 PolarHBondContact OE2-NZ 3.29Å; L544-K546 PolarHBondContact O-N 3.44Å
547E67.9Low64.8Low130 Ų13095.5 Ų95.561%0.60752%0.524SS*.Hα-helixtrans-67.7-47.4164.5-77.7-162.5130.300111.2E543 L544 D549 S550 L551E543-E547 PolarHBondContact O-N 2.6Å; L544-E547 PolarHBondContact O-N 3.23Å; E547-D549 VanDerWaalsContact C-N 3.34Å; E547-D549 PolarHBondContact O-N 2.76Å; E547-S550 WeakPolarHBondContact O-CB 3.23Å; E547-S550 PolarHBondContact O-N 3.21Å; E547-S550 PolarHBondContact O-OG 2.64Å; E547-L551 PolarHBondContact O-N 3.17Å; E547-L551 VanDerWaalsContact O-N 3.16Å
548R62.2Low65.1Low101 Ų10195.3 Ų95.338%0.38152%0.523SS..Hα-helixtrans-52.3-49.4179.3179.2-159.667.8-154.6-7.9111.8L544 E545 S550 L551 V552L544-R548 WeakPolarHBondContact O-CB 3.48Å; L544-R548 PolarHBondContact O-N 2.94Å; E545-R548 WeakPolarHBondContact O-CB 3.41Å; E545-R548 PolarHBondContact O-N 2.83Å; E545-R548 IonicContact OE1-CZ 3.31Å; E545-R548 IonicContact OE1-NH1 3.16Å; E545-R548 PolarHBondContact OE1-NH1 2.69Å; E545-R548 IonicContact OE1-NH2 2.68Å; E545-R548 PolarHBondContact OE1-NH2 3.44Å; R548-S550 PolarHBondContact O-N 2.75Å; R548-L551 CarbonylContact O-C 2.96Å; R548-L551 WeakPolarHBondContact O-CA 2.94Å; R548-L551 WeakPolarHBondContact O-CB 3.23Å; R548-L551 PolarHBondContact O-N 3.19Å; R548-V552 HydrophobicContact CG-CG2 3.94Å; R548-V552 WeakPolarHBondContact O-CG2 3.46Å; R548-V552 PolarHBondContact O-N 2.59Å
549D67.9Low65.1Low88 Ų8897.4 Ų97.447%0.47152%0.522SS..Hα-helixtrans-66.7-29.4-173.8-69.70.2000112.1E545 E547 S553E545-D549 WeakPolarHBondContact O-CB 3.22Å; E545-D549 PolarHBondContact O-N 3.22Å; E547-D549 VanDerWaalsContact C-N 3.34Å; E547-D549 PolarHBondContact O-N 2.76Å; D549-S553 PolarHBondContact O-N 3.45Å
550S68.4Low65.2Low83 Ų83100.7 Ų100.758%0.5853%0.525SS*.Hα-helixtrans-67.3-39.9170.481.90000112.4E547 R548 G554E547-S550 WeakPolarHBondContact O-CB 3.23Å; E547-S550 PolarHBondContact O-N 3.21Å; E547-S550 PolarHBondContact O-OG 2.64Å; R548-S550 PolarHBondContact O-N 2.75Å; S550-G554 PolarHBondContact O-N 2.81Å
551L65.1Low65.2Low122 Ų12299.8 Ų99.864%0.63952%0.521SS*.Hα-helixtrans-73-36177.5-68.5170.4000112.1E547 R548 G554 A555E547-L551 PolarHBondContact O-N 3.17Å; E547-L551 VanDerWaalsContact O-N 3.16Å; R548-L551 CarbonylContact O-C 2.96Å; R548-L551 WeakPolarHBondContact O-CA 2.94Å; R548-L551 WeakPolarHBondContact O-CB 3.23Å; R548-L551 PolarHBondContact O-N 3.19Å; L551-G554 CarbonylContact O-C 3.5Å; L551-G554 PolarHBondContact O-N 3.03Å; L551-A555 VanDerWaalsContact O-CB 3.31Å; L551-A555 WeakPolarHBondContact O-CB 3.45Å; L551-A555 PolarHBondContact O-N 2.96Å
552V67.9Low64.9Low80 Ų8097.3 Ų97.349%0.48551%0.513SS..Hα-helixtrans-65.7-39.5177.8167.30000111.3R548 G554 A555 A556R548-V552 HydrophobicContact CG-CG2 3.94Å; R548-V552 WeakPolarHBondContact O-CG2 3.46Å; R548-V552 PolarHBondContact O-N 2.59Å; V552-G554 PolarHBondContact O-N 3.33Å; V552-A555 PolarHBondContact O-N 3.39Å; V552-A556 WeakPolarHBondContact O-CB 3.49Å; V552-A556 PolarHBondContact O-N 2.69Å
553S65.3Low64.6Low90 Ų9098.1 Ų98.163%0.62952%0.515SS*.Hα-helixtrans-60.2-44.5171.9-174.30000111.8D549 A555 H557D549-S553 PolarHBondContact O-N 3.45Å; S553-A555 VanDerWaalsContact C-N 3.32Å; S553-A555 PolarHBondContact O-N 3.16Å; S553-H557 PolarHBondContact O-N 2.83Å
554G67.6Low64.4Low29 Ų2995.3 Ų95.330%0.29951%0.512SS..Hα-helixtrans-72.1-19.3174.700000115.1S550 L551 V552 R558S550-G554 PolarHBondContact O-N 2.81Å; L551-G554 CarbonylContact O-C 3.5Å; L551-G554 PolarHBondContact O-N 3.03Å; V552-G554 PolarHBondContact O-N 3.33Å; G554-R558 PolarHBondContact O-NH1 3.3Å
555A59.6Low64.2Low50 Ų5094.9 Ų94.941%0.41351%0.51SS..Hα-helixtrans-83.5-43.117500000111.2L551 V552 S553 H557 R558 E559L551-A555 VanDerWaalsContact O-CB 3.31Å; L551-A555 WeakPolarHBondContact O-CB 3.45Å; L551-A555 PolarHBondContact O-N 2.96Å; V552-A555 PolarHBondContact O-N 3.39Å; S553-A555 VanDerWaalsContact C-N 3.32Å; S553-A555 PolarHBondContact O-N 3.16Å; A555-H557 VanDerWaalsContact C-N 3.29Å; A555-H557 PolarHBondContact O-N 2.87Å; A555-R558 CarbonylContact O-C 3.53Å; A555-R558 WeakPolarHBondContact O-CA 3.24Å; A555-R558 PolarHBondContact O-N 2.9Å; A555-E559 PolarHBondContact O-N 3.11Å
556A62.8Low64Low60 Ų6097.8 Ų97.850%0.49652%0.518SS..Hα-helixtrans-57.4-41.9177.200000112V552 R558 E559 E560V552-A556 WeakPolarHBondContact O-CB 3.49Å; V552-A556 PolarHBondContact O-N 2.69Å; A556-R558 VanDerWaalsContact C-N 3.34Å; A556-R558 PolarHBondContact O-N 3.11Å; A556-E559 PolarHBondContact O-N 3.4Å; A556-E560 PolarHBondContact O-N 2.74Å
557H64.9Low63.6Low126 Ų12698.9 Ų98.958%0.58352%0.523SS*.Hα-helixtrans-62.1-40.7175.5-162.631.3000112.1S553 A555 E560 E561S553-H557 PolarHBondContact O-N 2.83Å; A555-H557 VanDerWaalsContact C-N 3.29Å; A555-H557 PolarHBondContact O-N 2.87Å; H557-E560 PolarHBondContact O-N 3.09Å; H557-E561 PolarHBondContact O-N 2.88Å; H557-E561 VanDerWaalsContact O-N 3.11Å
558R61.1Low63.2Low159 Ų15998.6 Ų98.660%0.652%0.521SS*.Hα-helixtrans-74.2-27.5175-71.5-172.9-178.2106.2-6.3113.9G554 A555 A556 E560 L562G554-R558 PolarHBondContact O-NH1 3.3Å; A555-R558 CarbonylContact O-C 3.53Å; A555-R558 WeakPolarHBondContact O-CA 3.24Å; A555-R558 PolarHBondContact O-N 2.9Å; A556-R558 VanDerWaalsContact C-N 3.34Å; A556-R558 PolarHBondContact O-N 3.11Å; R558-E560 VanDerWaalsContact C-N 3.31Å; R558-L562 WeakPolarHBondContact O-CB 3.27Å; R558-L562 VanDerWaalsContact O-CG 3.23Å; R558-L562 WeakPolarHBondContact O-CG 3.03Å; R558-L562 PolarHBondContact O-N 3.2Å
559E63.5Low62.8Low105 Ų10598 Ų9849%0.49153%0.526SS..Hα-helixtrans-71.3-31.5173.8-162.278.9-122.900110.2A555 A556 S563 R566A555-E559 PolarHBondContact O-N 3.11Å; A556-E559 PolarHBondContact O-N 3.4Å; E559-S563 WeakPolarHBondContact O-CB 3.45Å; E559-S563 PolarHBondContact O-N 3.37Å; E559-R566 IonicContact OE1-CZ 2.83Å; E559-R566 IonicContact OE1-NH1 3.75Å; E559-R566 PolarHBondContact OE1-NH1 2.79Å; E559-R566 IonicContact OE1-NH2 2.67Å
560E64.1Low62.4Low142 Ų142100 Ų10066%0.66453%0.532SS*.Hα-helixtrans-71.3-41.8172-161.3163.6-13600111.7A556 H557 R558 S563 A564A556-E560 PolarHBondContact O-N 2.74Å; H557-E560 PolarHBondContact O-N 3.09Å; R558-E560 VanDerWaalsContact C-N 3.31Å; E560-S563 WeakPolarHBondContact O-CB 3.47Å; E560-S563 PolarHBondContact O-N 3.02Å; E560-A564 PolarHBondContact O-N 2.88Å; E560-A564 VanDerWaalsContact O-N 3.08Å
561E62.8Low61.8Low107 Ų107100.1 Ų100.150%0.553%0.526SS..Hα-helixtrans-61.1-44.3168.1-69.1-178.2134.100112.2H557 S563 A564 L565H557-E561 PolarHBondContact O-N 2.88Å; H557-E561 VanDerWaalsContact O-N 3.11Å; E561-S563 VanDerWaalsContact C-N 3.31Å; E561-S563 PolarHBondContact O-N 3.08Å; E561-A564 PolarHBondContact O-N 3.08Å; E561-L565 WeakPolarHBondContact O-CB 3.33Å; E561-L565 WeakPolarHBondContact O-CG 3.44Å; E561-L565 PolarHBondContact O-N 2.87Å
562L55.2Low61.3Low77 Ų7797.5 Ų97.540%0.40352%0.515SS..Hα-helixtrans-70.3-25.4177.1-77.4168.3000112.7R558 R566R558-L562 WeakPolarHBondContact O-CB 3.27Å; R558-L562 VanDerWaalsContact O-CG 3.23Å; R558-L562 WeakPolarHBondContact O-CG 3.03Å; R558-L562 PolarHBondContact O-N 3.2Å; L562-R566 WeakPolarHBondContact O-CB 3.18Å; L562-R566 WeakPolarHBondContact O-CD 3.19Å; L562-R566 WeakPolarHBondContact O-CG 3.35Å; L562-R566 PolarHBondContact O-N 2.81Å
563S63.1Low60.7Low75 Ų7598.9 Ų98.952%0.52452%0.516SS..Hα-helixtrans-67.5-47.3170.7178.90000110.4E559 E560 E561 R566 K567E559-S563 WeakPolarHBondContact O-CB 3.45Å; E559-S563 PolarHBondContact O-N 3.37Å; E560-S563 WeakPolarHBondContact O-CB 3.47Å; E560-S563 PolarHBondContact O-N 3.02Å; E561-S563 VanDerWaalsContact C-N 3.31Å; E561-S563 PolarHBondContact O-N 3.08Å; S563-R566 PolarHBondContact O-N 2.78Å; S563-K567 WeakPolarHBondContact O-CB 3.36Å; S563-K567 PolarHBondContact O-N 3.17Å
564A63.5Low60.3Low61 Ų61100.6 Ų100.650%0.50452%0.518SS..Hα-helixtrans-59.8-51.2172.500000111.4E560 E561 R566 K567 E568E560-A564 PolarHBondContact O-N 2.88Å; E560-A564 VanDerWaalsContact O-N 3.08Å; E561-A564 PolarHBondContact O-N 3.08Å; A564-R566 PolarHBondContact O-N 2.83Å; A564-K567 WeakPolarHBondContact O-CB 3.41Å; A564-K567 PolarHBondContact O-N 2.88Å; A564-E568 WeakPolarHBondContact O-CB 3.41Å; A564-E568 PolarHBondContact O-N 2.92Å
565L60.4Low59.8Low96 Ų96104.4 Ų104.450%0.50353%0.526SS..Hα-helixtrans-65.9-31.6179.4-73.7165.8000113.5E561 L569E561-L565 WeakPolarHBondContact O-CB 3.33Å; E561-L565 WeakPolarHBondContact O-CG 3.44Å; E561-L565 PolarHBondContact O-N 2.87Å; L565-L569 WeakPolarHBondContact O-CB 3.3Å; L565-L569 PolarHBondContact O-N 2.87Å
566R60.8Low59.4Low139 Ų139106.3 Ų106.353%0.52553%0.529SS..Hα-helixtrans-71-37.6172.9-80.8170.1-179.7145.40.6111.5E559 L562 S563 A564 E568 L569 Q570E559-R566 IonicContact OE1-CZ 2.83Å; E559-R566 IonicContact OE1-NH1 3.75Å; E559-R566 PolarHBondContact OE1-NH1 2.79Å; E559-R566 IonicContact OE1-NH2 2.67Å; L562-R566 WeakPolarHBondContact O-CB 3.18Å; L562-R566 WeakPolarHBondContact O-CD 3.19Å; L562-R566 WeakPolarHBondContact O-CG 3.35Å; L562-R566 PolarHBondContact O-N 2.81Å; S563-R566 PolarHBondContact O-N 2.78Å; A564-R566 PolarHBondContact O-N 2.83Å; R566-E568 VanDerWaalsContact C-N 3.35Å; R566-L569 PolarHBondContact O-N 3.45Å; R566-Q570 WeakPolarHBondContact O-CB 3.3Å; R566-Q570 PolarHBondContact O-N 3.38Å
567K61.4Low59Low156 Ų156106.3 Ų106.368%0.67853%0.529SS*.Hα-helixtrans-64.9-43.1173.4-165.4175.2-175.7179.30110.4S563 A564 Q570 D571S563-K567 WeakPolarHBondContact O-CB 3.36Å; S563-K567 PolarHBondContact O-N 3.17Å; A564-K567 WeakPolarHBondContact O-CB 3.41Å; A564-K567 PolarHBondContact O-N 2.88Å; K567-Q570 PolarHBondContact O-N 3.15Å; K567-D571 WeakPolarHBondContact O-CB 3.41Å; K567-D571 PolarHBondContact O-N 3.12Å
568E59.6Low58.5Low124 Ų124103.8 Ų103.858%0.57953%0.526SS*.Hα-helixtrans-66.3-34.9173.9-158.4167.4-143.500112.4A564 R566 T572A564-E568 WeakPolarHBondContact O-CB 3.41Å; A564-E568 PolarHBondContact O-N 2.92Å; R566-E568 VanDerWaalsContact C-N 3.35Å; E568-T572 WeakPolarHBondContact O-CB 3.45Å; E568-T572 VanDerWaalsContact O-CG2 3.32Å; E568-T572 WeakPolarHBondContact O-CG2 3.33Å; E568-T572 PolarHBondContact O-N 3.37Å; E568-T572 PolarHBondContact O-OG1 3.33Å
569L54.8Low58Low90 Ų9099.5 Ų99.547%0.47152%0.517SS..Hα-helixtrans-67.2-40.9173-173.666.1000111.9L565 R566 T572 Q573L565-L569 WeakPolarHBondContact O-CB 3.3Å; L565-L569 PolarHBondContact O-N 2.87Å; R566-L569 PolarHBondContact O-N 3.45Å; L569-T572 VanDerWaalsContact CA-OG1 3.25Å; L569-T572 WeakPolarHBondContact CA-OG1 3.21Å; L569-T572 CarbonylContact O-C 3.48Å; L569-T572 PolarHBondContact O-N 2.91Å; L569-T572 PolarHBondContact O-OG1 2.64Å; L569-Q573 VanDerWaalsContact O-CB 3.31Å; L569-Q573 WeakPolarHBondContact O-CB 3.31Å; L569-Q573 VanDerWaalsContact O-CG 3.24Å; L569-Q573 WeakPolarHBondContact O-CG 3.49Å; L569-Q573 PolarHBondContact O-N 3.07Å
570Q57.8Low57.6Low130 Ų130100.5 Ų100.561%0.60752%0.522SS*.Hα-helixtrans-70.9-39.7177.8-165.7169.120.900111.4R566 K567 T572 Q573 L574R566-Q570 WeakPolarHBondContact O-CB 3.3Å; R566-Q570 PolarHBondContact O-N 3.38Å; K567-Q570 PolarHBondContact O-N 3.15Å; Q570-T572 VanDerWaalsContact C-N 3.34Å; Q570-Q573 PolarHBondContact O-N 2.76Å; Q570-L574 PolarHBondContact O-N 3.14Å
571D57.4Low57Low84 Ų84101.1 Ų101.145%0.44953%0.525SS..Hα-helixtrans-62.4-40.2170.4-119.147.9000111.5K567 K575K567-D571 WeakPolarHBondContact O-CB 3.41Å; K567-D571 PolarHBondContact O-N 3.12Å; D571-K575 WeakPolarHBondContact O-CB 3.16Å; D571-K575 VanDerWaalsContact O-CD 3.22Å; D571-K575 WeakPolarHBondContact O-CD 3.06Å; D571-K575 WeakPolarHBondContact O-CG 3.28Å; D571-K575 PolarHBondContact O-N 3.41Å; D571-K575 IonicContact OD2-NZ 3.4Å; D571-K575 PolarHBondContact OD2-NZ 2.84Å
572T53.8Low56.6Low67 Ų6799.2 Ų99.241%0.41152%0.523SS..Hα-helixtrans-77.8-23.2177.2500000113.4E568 L569 Q570 K575 L576E568-T572 WeakPolarHBondContact O-CB 3.45Å; E568-T572 VanDerWaalsContact O-CG2 3.32Å; E568-T572 WeakPolarHBondContact O-CG2 3.33Å; E568-T572 PolarHBondContact O-N 3.37Å; E568-T572 PolarHBondContact O-OG1 3.33Å; L569-T572 VanDerWaalsContact CA-OG1 3.25Å; L569-T572 WeakPolarHBondContact CA-OG1 3.21Å; L569-T572 CarbonylContact O-C 3.48Å; L569-T572 PolarHBondContact O-N 2.91Å; L569-T572 PolarHBondContact O-OG1 2.64Å; Q570-T572 VanDerWaalsContact C-N 3.34Å; T572-K575 CarbonylContact O-C 3.54Å; T572-L576 WeakPolarHBondContact O-CA 3.5Å; T572-L576 VanDerWaalsContact O-CB 3.23Å; T572-L576 WeakPolarHBondContact O-CB 3.2Å; T572-L576 PolarHBondContact O-N 2.81Å
573Q56.2Low56.6Low110 Ų110101.7 Ų101.751%0.51453%0.534SS..Hα-helixtrans-76.4-38.3170.9-79.1173.1-1200112.3L569 Q570 K575 L576 A577L569-Q573 VanDerWaalsContact O-CB 3.31Å; L569-Q573 WeakPolarHBondContact O-CB 3.31Å; L569-Q573 VanDerWaalsContact O-CG 3.24Å; L569-Q573 WeakPolarHBondContact O-CG 3.49Å; L569-Q573 PolarHBondContact O-N 3.07Å; Q570-Q573 PolarHBondContact O-N 2.76Å; Q573-K575 VanDerWaalsContact C-N 3.33Å; Q573-L576 WeakPolarHBondContact O-CB 3.35Å; Q573-L576 PolarHBondContact O-N 2.66Å; Q573-L576 VanDerWaalsContact O-N 3.11Å; Q573-A577 PolarHBondContact O-N 2.82Å
574L56.2Low56.3Low126 Ų126101.2 Ų101.266%0.6653%0.53SS*.Hα-helixtrans-63.6-40.5167.7-83.9162.9000111.2Q570 L576 S578Q570-L574 PolarHBondContact O-N 3.14Å; L574-L576 VanDerWaalsContact C-N 3.31Å; L574-S578 WeakPolarHBondContact O-CB 3.23Å; L574-S578 PolarHBondContact O-N 3.15Å
575K56.8Low55.9Low109 Ų109102.8 Ų102.847%0.47453%0.527SS..Hα-helixtrans-67.2-29.3169.6-67.5157.7-162.91550112.2D571 T572 Q573 S578 T579D571-K575 WeakPolarHBondContact O-CB 3.16Å; D571-K575 VanDerWaalsContact O-CD 3.22Å; D571-K575 WeakPolarHBondContact O-CD 3.06Å; D571-K575 WeakPolarHBondContact O-CG 3.28Å; D571-K575 PolarHBondContact O-N 3.41Å; D571-K575 IonicContact OD2-NZ 3.4Å; D571-K575 PolarHBondContact OD2-NZ 2.84Å; T572-K575 CarbonylContact O-C 3.54Å; Q573-K575 VanDerWaalsContact C-N 3.33Å; K575-S578 CarbonylContact O-C 3.23Å; K575-S578 PolarHBondContact O-N 3.38Å; K575-T579 WeakPolarHBondContact O-CB 3.44Å; K575-T579 VanDerWaalsContact O-CG2 3.27Å; K575-T579 WeakPolarHBondContact O-CG2 3.43Å; K575-T579 PolarHBondContact O-N 2.9Å; K575-T579 PolarHBondContact O-OG1 3.3Å
576L52.1Low55.8Low89 Ų89102 Ų10247%0.46652%0.523SS..Hα-helixtrans-71.3-48.6179.5-169.469.3000111.2T572 Q573 L574 S578 T579 E580T572-L576 WeakPolarHBondContact O-CA 3.5Å; T572-L576 VanDerWaalsContact O-CB 3.23Å; T572-L576 WeakPolarHBondContact O-CB 3.2Å; T572-L576 PolarHBondContact O-N 2.81Å; Q573-L576 WeakPolarHBondContact O-CB 3.35Å; Q573-L576 PolarHBondContact O-N 2.66Å; Q573-L576 VanDerWaalsContact O-N 3.11Å; L574-L576 VanDerWaalsContact C-N 3.31Å; L576-S578 VanDerWaalsContact C-N 3.26Å; L576-S578 PolarHBondContact O-N 3.42Å; L576-T579 WeakPolarHBondContact CA-OG1 3.42Å; L576-T579 CarbonylContact O-C 3.57Å; L576-T579 PolarHBondContact O-N 3.09Å; L576-T579 VanDerWaalsContact O-N 3.08Å; L576-T579 PolarHBondContact O-OG1 3.36Å; L576-E580 HydrophobicContact CG-CG 4.47Å; L576-E580 WeakPolarHBondContact O-CB 3.4Å; L576-E580 WeakPolarHBondContact O-CG 3.47Å; L576-E580 PolarHBondContact O-N 2.69Å
577A54.6Low55.9Low60 Ų6097.1 Ų97.150%0.49651%0.512SS..Hα-helixtrans-59-42.2173.300000111.1Q573 T579 E580 E581Q573-A577 PolarHBondContact O-N 2.82Å; A577-T579 PolarHBondContact O-N 3.07Å; A577-E580 PolarHBondContact O-N 2.92Å; A577-E581 PolarHBondContact O-N 3.01Å; A577-E581 VanDerWaalsContact O-N 3.12Å
578S52.8Low56Low74 Ų7495.1 Ų95.152%0.51750%0.504SS..Hα-helixtrans-65.3-34.2174.2-177.60000113.2L574 K575 L576 S582L574-S578 WeakPolarHBondContact O-CB 3.23Å; L574-S578 PolarHBondContact O-N 3.15Å; K575-S578 CarbonylContact O-C 3.23Å; K575-S578 PolarHBondContact O-N 3.38Å; L576-S578 VanDerWaalsContact C-N 3.26Å; L576-S578 PolarHBondContact O-N 3.42Å; S578-S582 WeakPolarHBondContact O-CB 3.23Å; S578-S582 PolarHBondContact O-N 3.28Å
579T51.8Low56Low69 Ų6991.7 Ų91.742%0.42349%0.489SS..Hα-helixtrans-86.1-19.2177.156.30000113.8K575 L576 A577 M583K575-T579 WeakPolarHBondContact O-CB 3.44Å; K575-T579 VanDerWaalsContact O-CG2 3.27Å; K575-T579 WeakPolarHBondContact O-CG2 3.43Å; K575-T579 PolarHBondContact O-N 2.9Å; K575-T579 PolarHBondContact O-OG1 3.3Å; L576-T579 WeakPolarHBondContact CA-OG1 3.42Å; L576-T579 CarbonylContact O-C 3.57Å; L576-T579 PolarHBondContact O-N 3.09Å; L576-T579 VanDerWaalsContact O-N 3.08Å; L576-T579 PolarHBondContact O-OG1 3.36Å; A577-T579 PolarHBondContact O-N 3.07Å; T579-M583 WeakPolarHBondContact O-CA 3.44Å; T579-M583 WeakPolarHBondContact O-CB 3.44Å; T579-M583 WeakPolarHBondContact O-CG 3.32Å; T579-M583 PolarHBondContact O-N 2.85Å
580E53.6Low56.5Low126 Ų12692.2 Ų92.259%0.58949%0.489SS*.Hα-helixtrans-73.2-44.2168.3-74.6-179.8151.300110.4L576 A577 M583 C584L576-E580 HydrophobicContact CG-CG 4.47Å; L576-E580 WeakPolarHBondContact O-CB 3.4Å; L576-E580 WeakPolarHBondContact O-CG 3.47Å; L576-E580 PolarHBondContact O-N 2.69Å; A577-E580 PolarHBondContact O-N 2.92Å; E580-M583 PolarHBondContact O-N 3.16Å; E580-C584 WeakPolarHBondContact O-CB 3.3Å; E580-C584 PolarHBondContact O-N 3.36Å
581E52.9Low57Low155 Ų15588.7 Ų88.772%0.72447%0.47SS*.Hα-helixtrans-63.8-44.6171.5-169168.4-134.600111A577 C584 Q585A577-E581 PolarHBondContact O-N 3.01Å; A577-E581 VanDerWaalsContact O-N 3.12Å; E581-C584 PolarHBondContact O-N 3.18Å; E581-Q585 WeakPolarHBondContact O-CB 3.38Å; E581-Q585 PolarHBondContact O-N 3.43Å
582S54.5Low57.6Low67 Ų6790.7 Ų90.747%0.46948%0.475SS..Hα-helixtrans-69.1-30.6175.3-169.60000113.4S578 Q585 L586S578-S582 WeakPolarHBondContact O-CB 3.23Å; S578-S582 PolarHBondContact O-N 3.28Å; S582-Q585 PolarHBondContact O-N 3.01Å; S582-L586 WeakPolarHBondContact O-CA 3.41Å; S582-L586 WeakPolarHBondContact O-CB 3.38Å; S582-L586 PolarHBondContact O-N 3.07Å
583M55.3Low58.4Low128 Ų12893.7 Ų93.763%0.63149%0.486SS*.Hα-helixtrans-71.1-40.7173-79.4-98.1-7600111T579 E580 Q585 L586 A587T579-M583 WeakPolarHBondContact O-CA 3.44Å; T579-M583 WeakPolarHBondContact O-CB 3.44Å; T579-M583 WeakPolarHBondContact O-CG 3.32Å; T579-M583 PolarHBondContact O-N 2.85Å; E580-M583 PolarHBondContact O-N 3.16Å; M583-Q585 VanDerWaalsContact C-N 3.29Å; M583-Q585 PolarHBondContact O-N 2.83Å; M583-L586 PolarHBondContact O-N 3.17Å; M583-A587 VanDerWaalsContact O-CB 3.31Å; M583-A587 WeakPolarHBondContact O-CB 3.31Å; M583-A587 PolarHBondContact O-N 3.41Å
584C55.6Low59Low66 Ų6692.7 Ų92.745%0.44648%0.484SS..Hα-helixtrans-63.3-37.1173.6-173.80000111.4E580 E581 K588E580-C584 WeakPolarHBondContact O-CB 3.3Å; E580-C584 PolarHBondContact O-N 3.36Å; E581-C584 PolarHBondContact O-N 3.18Å; C584-K588 VanDerWaalsContact O-CD 3.31Å; C584-K588 WeakPolarHBondContact O-CD 3.36Å; C584-K588 VanDerWaalsContact O-CG 3.31Å; C584-K588 WeakPolarHBondContact O-CG 3.2Å; C584-K588 PolarHBondContact O-N 3.46Å; C584-K588 PolarHBondContact SG-NZ 2.82Å
585Q54.7Low59.7Low94 Ų9488.2 Ų88.244%0.43946%0.46SS..Hα-helixtrans-74-42.3173.7-171.955.633.300112.4E581 S582 M583 A587 K588 D589E581-Q585 WeakPolarHBondContact O-CB 3.38Å; E581-Q585 PolarHBondContact O-N 3.43Å; S582-Q585 PolarHBondContact O-N 3.01Å; M583-Q585 VanDerWaalsContact C-N 3.29Å; M583-Q585 PolarHBondContact O-N 2.83Å; Q585-A587 PolarHBondContact O-N 2.94Å; Q585-K588 WeakPolarHBondContact O-CB 3.36Å; Q585-K588 PolarHBondContact O-N 3.3Å; Q585-D589 PolarHBondContact NE2-OD2 2.96Å; Q585-D589 PolarHBondContact O-N 3.33Å
586L59.2Low60.4Low80 Ų8086.2 Ų86.242%0.41946%0.457SS..Hα-helixtrans-64.3-37.3177.8-178.966.1000111.6S582 M583 D589 Q590S582-L586 WeakPolarHBondContact O-CA 3.41Å; S582-L586 WeakPolarHBondContact O-CB 3.38Å; S582-L586 PolarHBondContact O-N 3.07Å; M583-L586 PolarHBondContact O-N 3.17Å; L586-D589 PolarHBondContact O-N 3.02Å; L586-Q590 HydrophobicContact CD1-CG 4.22Å; L586-Q590 HydrophobicContact CG-CG 4.29Å; L586-Q590 WeakPolarHBondContact O-CB 3.13Å; L586-Q590 WeakPolarHBondContact O-CG 3.31Å; L586-Q590 PolarHBondContact O-N 3.41Å
587A62.4Low61.3Low36 Ų3683.7 Ų83.730%0.29845%0.453SS..Hα-helixtrans-63.1-41.8173.400000111.5M583 Q585 R591M583-A587 VanDerWaalsContact O-CB 3.31Å; M583-A587 WeakPolarHBondContact O-CB 3.31Å; M583-A587 PolarHBondContact O-N 3.41Å; Q585-A587 PolarHBondContact O-N 2.94Å; A587-R591 VanDerWaalsContact O-CG 3.32Å; A587-R591 WeakPolarHBondContact O-CG 3.48Å; A587-R591 PolarHBondContact O-N 2.76Å
588K63Low62.1Low114 Ų11482 Ų8250%0.49644%0.437SS..Hα-helixtrans-65.9-46.3174.6-67.5162.8-171.8160.70111.5C584 Q585 R591 K592C584-K588 VanDerWaalsContact O-CD 3.31Å; C584-K588 WeakPolarHBondContact O-CD 3.36Å; C584-K588 VanDerWaalsContact O-CG 3.31Å; C584-K588 WeakPolarHBondContact O-CG 3.2Å; C584-K588 PolarHBondContact O-N 3.46Å; C584-K588 PolarHBondContact SG-NZ 2.82Å; Q585-K588 WeakPolarHBondContact O-CB 3.36Å; Q585-K588 PolarHBondContact O-N 3.3Å; K588-R591 PolarHBondContact O-N 3.15Å; K588-K592 VanDerWaalsContact O-CB 3.24Å; K588-K592 WeakPolarHBondContact O-CB 3.44Å; K588-K592 PolarHBondContact O-N 3.46Å
589D60.3Low63.2Low52 Ų5284.8 Ų84.828%0.27844%0.436SS..Hα-helixtrans-73.5-24.9179.8-77.6-44.4000112.9Q585 L586 K592 M593Q585-D589 PolarHBondContact NE2-OD2 2.96Å; Q585-D589 PolarHBondContact O-N 3.33Å; L586-D589 PolarHBondContact O-N 3.02Å; D589-K592 WeakPolarHBondContact OD1-CD 3.2Å; D589-K592 IonicContact OD1-NZ 2.68Å; D589-K592 PolarHBondContact OD1-NZ 2.85Å; D589-M593 VanDerWaalsContact O-CB 3.31Å; D589-M593 WeakPolarHBondContact O-CB 3.37Å; D589-M593 WeakPolarHBondContact O-CG 3.33Å; D589-M593 PolarHBondContact O-N 3.24Å
590Q64.6Low64.2Low100 Ų10087.9 Ų87.947%0.46744%0.444SS..Hα-helixtrans-69.1-47.8167.4-80.9179.3-1.200111.4L586 K592 M593 L594L586-Q590 HydrophobicContact CD1-CG 4.22Å; L586-Q590 HydrophobicContact CG-CG 4.29Å; L586-Q590 WeakPolarHBondContact O-CB 3.13Å; L586-Q590 WeakPolarHBondContact O-CG 3.31Å; L586-Q590 PolarHBondContact O-N 3.41Å; Q590-K592 VanDerWaalsContact C-N 3.27Å; Q590-K592 PolarHBondContact O-N 3.36Å; Q590-M593 CarbonylContact O-C 3.57Å; Q590-M593 PolarHBondContact O-N 3.24Å; Q590-M593 VanDerWaalsContact O-N 3.14Å; Q590-L594 WeakPolarHBondContact O-CG 3.49Å; Q590-L594 PolarHBondContact O-N 2.77Å
591R69.8Low65Low57 Ų5784.4 Ų84.422%0.21544%0.437CS..Hα-helixtrans-59.3-40.5174.6-72.5176.6-167.31689.2111.5A587 K588 L594 L595 P653 E654 I656A587-R591 VanDerWaalsContact O-CG 3.32Å; A587-R591 WeakPolarHBondContact O-CG 3.48Å; A587-R591 PolarHBondContact O-N 2.76Å; K588-R591 PolarHBondContact O-N 3.15Å; R591-L594 PolarHBondContact O-N 3.46Å; R591-L595 PolarHBondContact O-N 2.97Å; R591-P653 WeakPolarHBondContact CD-O 3.45Å; R591-P653 PolarHBondContact NH1-O 3.23Å; R591-E654 IonicContact CZ-OE1 2.76Å; R591-E654 VanDerWaalsContact CZ-OE1 3.28Å; R591-E654 IonicContact CZ-OE2 3.87Å; R591-E654 IonicContact NH1-OE1 2.61Å; R591-E654 PolarHBondContact NH1-OE1 2.86Å; R591-E654 IonicContact NH1-OE2 3.53Å; R591-E654 IonicContact NH2-OE1 3.28Å; R591-E654 PolarHBondContact NH2-OE1 2.81Å; R591-E654 IonicContact NH2-OE2 3.75Å; R591-E654 PolarHBondContact NH2-OE2 3.18Å; R591-I656 HydrophobicContact CB-CD1 3.79Å; R591-I656 HydrophobicContact CG-CD1 4.1Å; R591-I656 WeakPolarHBondContact O-CD1 3.43Å
592K70.3Confident65.9Low126 Ų12677.7 Ų77.755%0.54841%0.408SS..Hα-helixtrans-66-40.7172.7-174.9-178.7169.2-166.80112.8K588 D589 Q590 L595 V596K588-K592 VanDerWaalsContact O-CB 3.24Å; K588-K592 WeakPolarHBondContact O-CB 3.44Å; K588-K592 PolarHBondContact O-N 3.46Å; D589-K592 WeakPolarHBondContact OD1-CD 3.2Å; D589-K592 IonicContact OD1-NZ 2.68Å; D589-K592 PolarHBondContact OD1-NZ 2.85Å; Q590-K592 VanDerWaalsContact C-N 3.27Å; Q590-K592 PolarHBondContact O-N 3.36Å; K592-L595 PolarHBondContact O-N 3.15Å; K592-V596 WeakPolarHBondContact O-CB 3.47Å; K592-V596 VanDerWaalsContact O-CG2 3.25Å; K592-V596 WeakPolarHBondContact O-CG2 3.31Å; K592-V596 PolarHBondContact O-N 3.36Å
593M70.1Confident66.7Low130 Ų13078.7 Ų78.764%0.6441%0.405SS*.Hα-helixtrans-65.5-37.4172.7-87.4-158.5-64.400112.4D589 Q590 G597D589-M593 VanDerWaalsContact O-CB 3.31Å; D589-M593 WeakPolarHBondContact O-CB 3.37Å; D589-M593 WeakPolarHBondContact O-CG 3.33Å; D589-M593 PolarHBondContact O-N 3.24Å; Q590-M593 CarbonylContact O-C 3.57Å; Q590-M593 PolarHBondContact O-N 3.24Å; Q590-M593 VanDerWaalsContact O-N 3.14Å; M593-G597 WeakPolarHBondContact O-CA 3.49Å; M593-G597 PolarHBondContact O-N 3.42Å
594L68.9Low67.6Low89 Ų8977.5 Ų77.547%0.46640%0.398SS..Hα-helixtrans-65.4-44.5175.6-72.5168.6000110.9Q590 R591 G597 S598 L660Q590-L594 WeakPolarHBondContact O-CG 3.49Å; Q590-L594 PolarHBondContact O-N 2.77Å; R591-L594 PolarHBondContact O-N 3.46Å; L594-G597 PolarHBondContact O-N 2.63Å; L594-S598 WeakPolarHBondContact O-CB 3.48Å; L594-S598 PolarHBondContact O-N 2.84Å; L594-S598 PolarHBondContact O-OG 2.87Å; L594-L660 HydrophobicContact CB-CD1 4.08Å; L594-L660 HydrophobicContact CB-CD2 4.45Å
595L69.9Low68.5Low32 Ų3276.3 Ų76.317%0.16839%0.388CS..Hα-helixtrans-64.9-46.1174-76.5164.4000112.6R591 K592 G597 R599 Y649 I656 L659 L660 I663R591-L595 PolarHBondContact O-N 2.97Å; K592-L595 PolarHBondContact O-N 3.15Å; L595-G597 VanDerWaalsContact C-N 3.32Å; L595-G597 PolarHBondContact O-N 3.41Å; L595-R599 VanDerWaalsContact O-CB 3.23Å; L595-R599 WeakPolarHBondContact O-CB 3.48Å; L595-R599 PolarHBondContact O-N 3.16Å; L595-Y649 HydrophobicContact CD1-CE1 4.35Å; L595-I656 HydrophobicContact CD1-CD1 3.95Å; L595-I656 HydrophobicContact CG-CD1 3.87Å; L595-I656 HydrophobicContact CG-CG1 4.41Å; L595-L659 HydrophobicContact CD2-CD2 3.85Å; L595-L659 HydrophobicContact CD2-CG 4.2Å; L595-L660 HydrophobicContact CD2-CD2 3.82Å; L595-L660 HydrophobicContact CG-CD2 4.19Å; L595-I663 HydrophobicContact CD2-CD1 4.03Å
596V72.6Confident69.3Low66 Ų6674 Ų7440%0.438%0.379SS..Hα-helixtrans-66.6-34.9177.7170.20000111.6K592 K600K592-V596 WeakPolarHBondContact O-CB 3.47Å; K592-V596 VanDerWaalsContact O-CG2 3.25Å; K592-V596 WeakPolarHBondContact O-CG2 3.31Å; K592-V596 PolarHBondContact O-N 3.36Å; V596-K600 WeakPolarHBondContact O-CB 3.37Å; V596-K600 WeakPolarHBondContact O-CG 3.39Å; V596-K600 PolarHBondContact O-N 2.9Å
597G70.3Confident69.8Low37 Ų3774.6 Ų74.638%0.38138%0.379SS..Hα-helixtrans-69.4-47.5176.200000112.1M593 L594 L595 R599 K600 A601M593-G597 WeakPolarHBondContact O-CA 3.49Å; M593-G597 PolarHBondContact O-N 3.42Å; L594-G597 PolarHBondContact O-N 2.63Å; L595-G597 VanDerWaalsContact C-N 3.32Å; L595-G597 PolarHBondContact O-N 3.41Å; G597-R599 VanDerWaalsContact C-N 3.35Å; G597-K600 CarbonylContact O-C 3.53Å; G597-K600 PolarHBondContact O-N 3.02Å; G597-A601 WeakPolarHBondContact O-CB 3.48Å; G597-A601 PolarHBondContact O-N 3.39Å
598S71Confident70.1Confident23 Ų2375.9 Ų75.916%0.16138%0.381CS..Hα-helixtrans-66.7-34.7173.7-66.50000112.3L594 A601 A602L594-S598 WeakPolarHBondContact O-CB 3.48Å; L594-S598 PolarHBondContact O-N 2.84Å; L594-S598 PolarHBondContact O-OG 2.87Å; S598-A601 PolarHBondContact O-N 2.72Å; S598-A602 VanDerWaalsContact O-CB 3.3Å; S598-A602 WeakPolarHBondContact O-CB 3.32Å; S598-A602 PolarHBondContact O-N 3.01Å
599R76.3Confident70.2Confident134 Ų13470.9 Ų70.951%0.50636%0.361SS..Hα-helixtrans-64.4-43.5170.8-157-15783.7-159.41.9111.1L595 G597 A602 E603L595-R599 VanDerWaalsContact O-CB 3.23Å; L595-R599 WeakPolarHBondContact O-CB 3.48Å; L595-R599 PolarHBondContact O-N 3.16Å; G597-R599 VanDerWaalsContact C-N 3.35Å; R599-A602 PolarHBondContact O-N 3.3Å; R599-E603 IonicContact CZ-OE1 3.22Å; R599-E603 IonicContact CZ-OE2 2.67Å; R599-E603 VanDerWaalsContact NE-CD 3.29Å; R599-E603 IonicContact NE-OE1 3.71Å; R599-E603 PolarHBondContact NE-OE1 2.67Å; R599-E603 IonicContact NE-OE2 3.56Å; R599-E603 PolarHBondContact NE-OE2 3.05Å; R599-E603 IonicContact NH2-OE1 2.72Å; R599-E603 PolarHBondContact NH2-OE1 3.11Å; R599-E603 IonicContact NH2-OE2 3.26Å; R599-E603 PolarHBondContact NH2-OE2 2.9Å; R599-E603 WeakPolarHBondContact O-CB 3.3Å; R599-E603 WeakPolarHBondContact O-CG 3.45Å; R599-E603 PolarHBondContact O-N 3.09Å
600K71.9Confident70.5Confident134 Ų13471.7 Ų71.758%0.58337%0.365SS*.Hα-helixtrans-65.4-36.5173.9-87.8-168.5168.9-167.10113.2V596 G597 Q604V596-K600 WeakPolarHBondContact O-CB 3.37Å; V596-K600 WeakPolarHBondContact O-CG 3.39Å; V596-K600 PolarHBondContact O-N 2.9Å; G597-K600 CarbonylContact O-C 3.53Å; G597-K600 PolarHBondContact O-N 3.02Å; K600-Q604 VanDerWaalsContact O-CB 3.26Å; K600-Q604 WeakPolarHBondContact O-CB 3.33Å; K600-Q604 PolarHBondContact O-N 3.31Å
601A70.9Confident70.5Confident53 Ų5371.1 Ų71.144%0.43837%0.365SS..Hα-helixtrans-68.6-39.9175.300000111.1G597 S598 Q604 V605G597-A601 WeakPolarHBondContact O-CB 3.48Å; G597-A601 PolarHBondContact O-N 3.39Å; S598-A601 PolarHBondContact O-N 2.72Å; A601-Q604 PolarHBondContact O-N 3.09Å; A601-V605 WeakPolarHBondContact O-CB 3.41Å; A601-V605 VanDerWaalsContact O-CG2 3.3Å; A601-V605 WeakPolarHBondContact O-CG2 3.42Å; A601-V605 PolarHBondContact O-N 3.16Å
602A71.8Confident70Confident14 Ų1473.2 Ų73.212%0.11638%0.377CS..Hα-helixtrans-64.6-45.6171.800000112.2S598 R599 Q604 V605 I606 I663 A667S598-A602 VanDerWaalsContact O-CB 3.3Å; S598-A602 WeakPolarHBondContact O-CB 3.32Å; S598-A602 PolarHBondContact O-N 3.01Å; R599-A602 PolarHBondContact O-N 3.3Å; A602-Q604 VanDerWaalsContact C-N 3.32Å; A602-Q604 PolarHBondContact O-N 2.7Å; A602-V605 PolarHBondContact O-N 2.86Å; A602-I606 WeakPolarHBondContact O-CB 3.35Å; A602-I606 WeakPolarHBondContact O-CG1 3.44Å; A602-I606 PolarHBondContact O-N 3.38Å; A602-I663 HydrophobicContact CB-CG2 4.35Å; A602-A667 HydrophobicContact CB-CB 3.47Å; A602-A667 VanDerWaalsContact CB-CB 3.47Å
603E71.9Confident69.3Low87 Ų8771.7 Ų71.741%0.40737%0.374SS..Hα-helixtrans-56.1-45.4172-75.9167.6162.900110.6R599 Q607R599-E603 IonicContact CZ-OE1 3.22Å; R599-E603 IonicContact CZ-OE2 2.67Å; R599-E603 VanDerWaalsContact NE-CD 3.29Å; R599-E603 IonicContact NE-OE1 3.71Å; R599-E603 PolarHBondContact NE-OE1 2.67Å; R599-E603 IonicContact NE-OE2 3.56Å; R599-E603 PolarHBondContact NE-OE2 3.05Å; R599-E603 IonicContact NH2-OE1 2.72Å; R599-E603 PolarHBondContact NH2-OE1 3.11Å; R599-E603 IonicContact NH2-OE2 3.26Å; R599-E603 PolarHBondContact NH2-OE2 2.9Å; R599-E603 WeakPolarHBondContact O-CB 3.3Å; R599-E603 WeakPolarHBondContact O-CG 3.45Å; R599-E603 PolarHBondContact O-N 3.09Å; E603-Q607 WeakPolarHBondContact O-CB 3.36Å; E603-Q607 PolarHBondContact O-N 3.3Å
604Q73.5Confident68.4Low104 Ų10474 Ų7449%0.48638%0.384SS..Hα-helixtrans-68.2-45.5178.9-17068.350.100112.5K600 A601 A602 I606 Q607 D608K600-Q604 VanDerWaalsContact O-CB 3.26Å; K600-Q604 WeakPolarHBondContact O-CB 3.33Å; K600-Q604 PolarHBondContact O-N 3.31Å; A601-Q604 PolarHBondContact O-N 3.09Å; A602-Q604 VanDerWaalsContact C-N 3.32Å; A602-Q604 PolarHBondContact O-N 2.7Å; Q604-I606 VanDerWaalsContact C-N 3.31Å; Q604-I606 PolarHBondContact O-N 3.32Å; Q604-Q607 CarbonylContact O-C 3.54Å; Q604-Q607 PolarHBondContact O-N 3.46Å; Q604-D608 VanDerWaalsContact NE2-CG 3.35Å; Q604-D608 PolarHBondContact NE2-OD1 2.87Å; Q604-D608 PolarHBondContact NE2-OD2 3.07Å; Q604-D608 WeakPolarHBondContact O-CB 3.35Å; Q604-D608 VanDerWaalsContact O-CG 3.22Å; Q604-D608 PolarHBondContact O-N 3.37Å
605V74.4Confident67.5Low40 Ų4075.2 Ų75.224%0.24239%0.387CS..Hα-helixtrans-62.9-38.2178.7163.90000111.4A601 A602 A609 S671A601-V605 WeakPolarHBondContact O-CB 3.41Å; A601-V605 VanDerWaalsContact O-CG2 3.3Å; A601-V605 WeakPolarHBondContact O-CG2 3.42Å; A601-V605 PolarHBondContact O-N 3.16Å; A602-V605 PolarHBondContact O-N 2.86Å; V605-A609 PolarHBondContact O-N 3.28Å; V605-S671 PolarHBondContact O-OG 3.11Å
606I71.8Confident66.5Low47 Ų4778.9 Ų78.924%0.24141%0.413CS..Hα-helixtrans-71.6-43.3172.6-68.9169.4000110.7A602 Q604 D608 A609 L610 T670 I674A602-I606 WeakPolarHBondContact O-CB 3.35Å; A602-I606 WeakPolarHBondContact O-CG1 3.44Å; A602-I606 PolarHBondContact O-N 3.38Å; Q604-I606 VanDerWaalsContact C-N 3.31Å; Q604-I606 PolarHBondContact O-N 3.32Å; I606-D608 VanDerWaalsContact C-N 3.34Å; I606-D608 PolarHBondContact O-N 3.03Å; I606-A609 PolarHBondContact O-N 3.37Å; I606-L610 HydrophobicContact CG2-CD1 3.89Å; I606-L610 HydrophobicContact CG2-CG 4.36Å; I606-L610 WeakPolarHBondContact O-CB 3.42Å; I606-L610 VanDerWaalsContact O-CG 3.29Å; I606-L610 WeakPolarHBondContact O-CG 3.32Å; I606-L610 PolarHBondContact O-N 3.42Å; I606-T670 HydrophobicContact CD1-CG2 4.16Å; I606-T670 HydrophobicContact CG1-CG2 4.42Å; I606-I674 HydrophobicContact CG2-CD1 3.89Å
607Q70.4Confident65.6Low92 Ų9280.2 Ų80.243%0.4342%0.423SS..Hα-helixtrans-65.9-34.4179.5-171.763.26300112.3E603 Q604 L610 N611E603-Q607 WeakPolarHBondContact O-CB 3.36Å; E603-Q607 PolarHBondContact O-N 3.3Å; Q604-Q607 CarbonylContact O-C 3.54Å; Q604-Q607 PolarHBondContact O-N 3.46Å; Q607-L610 CarbonylContact O-C 3.51Å; Q607-L610 PolarHBondContact O-N 2.92Å; Q607-N611 PolarHBondContact NE2-OD1 3.45Å; Q607-N611 WeakPolarHBondContact O-CB 3.48Å; Q607-N611 PolarHBondContact O-N 2.83Å; Q607-N611 PolarHBondContact O-ND2 3.3Å; Q607-N611 PolarHBondContact O-OD1 3Å
608D68.5Low64.8Low63 Ų6382.1 Ų82.134%0.33742%0.424SS..Hα-helixtrans-70.9-34.9177.1-71.9-23.6000111.5Q604 I606 N611 Q612Q604-D608 VanDerWaalsContact NE2-CG 3.35Å; Q604-D608 PolarHBondContact NE2-OD1 2.87Å; Q604-D608 PolarHBondContact NE2-OD2 3.07Å; Q604-D608 WeakPolarHBondContact O-CB 3.35Å; Q604-D608 VanDerWaalsContact O-CG 3.22Å; Q604-D608 PolarHBondContact O-N 3.37Å; I606-D608 VanDerWaalsContact C-N 3.34Å; I606-D608 PolarHBondContact O-N 3.03Å; D608-N611 PolarHBondContact O-N 3.44Å; D608-Q612 WeakPolarHBondContact O-CB 3.38Å; D608-Q612 VanDerWaalsContact O-CG 3.31Å; D608-Q612 WeakPolarHBondContact O-CG 3.33Å; D608-Q612 PolarHBondContact O-N 3.34Å; D608-Q612 PolarHBondContact O-NE2 3.03Å
609A66Low63.8Low8 Ų888.2 Ų88.27%0.06645%0.453CS..Hα-helixtrans-69.4-36.1168.800000112.3V605 I606 Q612 L613 S671 I674V605-A609 PolarHBondContact O-N 3.28Å; I606-A609 PolarHBondContact O-N 3.37Å; A609-Q612 PolarHBondContact O-N 3.3Å; A609-L613 PolarHBondContact O-N 2.91Å; A609-S671 WeakPolarHBondContact CB-OG 3.43Å; A609-I674 HydrophobicContact CB-CB 4.47Å; A609-I674 HydrophobicContact CB-CG2 4.06Å
610L64.9Low62.6Low69 Ų6986.9 Ų86.936%0.36146%0.464SS..Hα-helixtrans-70.6-29.1173-69.9171.9000113I606 Q607 L613 I674I606-L610 HydrophobicContact CG2-CD1 3.89Å; I606-L610 HydrophobicContact CG2-CG 4.36Å; I606-L610 WeakPolarHBondContact O-CB 3.42Å; I606-L610 VanDerWaalsContact O-CG 3.29Å; I606-L610 WeakPolarHBondContact O-CG 3.32Å; I606-L610 PolarHBondContact O-N 3.42Å; Q607-L610 CarbonylContact O-C 3.51Å; Q607-L610 PolarHBondContact O-N 2.92Å; L610-L613 HydrophobicContact CD2-CD1 3.78Å; L610-L613 WeakPolarHBondContact O-CB 3.37Å; L610-I674 HydrophobicContact CD2-CD1 4.37Å; L610-I674 HydrophobicContact CD2-CG2 4.01Å; L610-I674 HydrophobicContact CG-CG2 4.49Å
611N64.6Low61.7Low88 Ų8884.5 Ų84.547%0.47146%0.463SS..Hα-helixtrans-75.1-35.4174.1-66-19.2000110.8Q607 D608 L613 E614Q607-N611 PolarHBondContact NE2-OD1 3.45Å; Q607-N611 WeakPolarHBondContact O-CB 3.48Å; Q607-N611 PolarHBondContact O-N 2.83Å; Q607-N611 PolarHBondContact O-ND2 3.3Å; Q607-N611 PolarHBondContact O-OD1 3Å; D608-N611 PolarHBondContact O-N 3.44Å; N611-L613 PolarHBondContact O-N 3.32Å; N611-E614 PolarHBondContact O-N 3.15Å
612Q60.5Low60.8Low102 Ų10285.4 Ų85.448%0.47747%0.471SS..G310 helixtrans-70.1-5.9174.9-77.316879.100114D608 A609 E614 E615 L618D608-Q612 WeakPolarHBondContact O-CB 3.38Å; D608-Q612 VanDerWaalsContact O-CG 3.31Å; D608-Q612 WeakPolarHBondContact O-CG 3.33Å; D608-Q612 PolarHBondContact O-N 3.34Å; D608-Q612 PolarHBondContact O-NE2 3.03Å; A609-Q612 PolarHBondContact O-N 3.3Å; Q612-E614 PolarHBondContact O-N 3.37Å; Q612-E615 PolarHBondContact O-N 3.02Å; Q612-L618 HydrophobicContact CB-CD1 4.35Å
613L54Low60.1Low93 Ų9386.3 Ų86.349%0.48748%0.482SS..G310 helixtrans-60.5-27.8169.8-86.3162.1000113.4A609 L610 N611 A678A609-L613 PolarHBondContact O-N 2.91Å; L610-L613 HydrophobicContact CD2-CD1 3.78Å; L610-L613 WeakPolarHBondContact O-CB 3.37Å; N611-L613 PolarHBondContact O-N 3.32Å; L613-A678 HydrophobicContact CD2-CB 3.38Å; L613-A678 HydrophobicContact CG-CB 4.39Å
614E51.9Low59.4Low180 Ų18085.3 Ų85.384%0.84148%0.484SS*.G310 helixtrans-101.72-176.1-59-165.6158.100113.5N611 Q612 P616N611-E614 PolarHBondContact O-N 3.15Å; Q612-E614 PolarHBondContact O-N 3.37Å; E614-P616 WeakPolarHBondContact O-CD 3.49Å
615E50.9Low58.7Low114 Ų11483.5 Ų83.553%0.53349%0.487SS..  trans-78.7114.4177.5-85.6-80.816400111.6Q612 P617Q612-E615 PolarHBondContact O-N 3.02Å; E615-P617 WeakPolarHBondContact O-CD 3.48Å; E615-P617 VanDerWaalsContact O-N 3.17Å
616P48.6Very low58.1Low109 Ų10987.4 Ų87.471%0.70851%0.507SS*.THydrogen-bonded Turntrans-57.7-23.2-175.8-27.136.6000119.2E614 L618E614-P616 WeakPolarHBondContact O-CD 3.49Å; P616-L618 PolarHBondContact O-N 3.45Å
617P54.1Low57.7Low94 Ų9489.5 Ų89.561%0.6152%0.515SS*.THydrogen-bonded Turntrans-70.6-17.3-174.5-24.335.7000117.1E615 I619E615-P617 WeakPolarHBondContact O-CD 3.48Å; E615-P617 VanDerWaalsContact O-N 3.17Å; P617-I619 PolarHBondContact O-N 3.47Å
618L52.3Low57.4Low76 Ų7687.2 Ų87.240%0.39851%0.506SS..G310 helixtrans-74.520.5-164.3-85.6164.8000116.5Q612 P616 T679Q612-L618 HydrophobicContact CB-CD1 4.35Å; P616-L618 PolarHBondContact O-N 3.45Å; L618-T679 WeakPolarHBondContact O-CG2 3.42Å
619I50.9Low57.3Low152 Ų15289.8 Ų89.878%0.77952%0.519SS*.G310 helixtrans-82.2-11.2-176.2-66.9176.6000113.3P617P617-I619 PolarHBondContact O-N 3.47Å
620S51.2Low57.5Low106 Ų10692.4 Ų92.474%0.74154%0.537SS*.G310 helixtrans-90.8-13.8-174.154.60000116.3
621C52.8Low57.6Low83 Ų8389.9 Ų89.956%0.56152%0.524SS*.  trans-118.851.4-169.4-69.70000114G623C621-G623 PolarHBondContact O-N 2.95Å
622A50.9Low58Low72 Ų7289.4 Ų89.460%0.59552%0.524SS*.PPolyproline II helixtrans-74.6116.2173.600000111.6
623G57.4Low58.7Low34 Ų3488.8 Ų88.835%0.35153%0.528SS..PPolyproline II helixtrans-77171.2172.400000113.2C621C621-G623 PolarHBondContact O-N 2.95Å
624S58.8Low59.8Low65 Ų6586.9 Ų86.946%0.45552%0.522SS..PPolyproline II helixtrans-81.1155.8170.567.30000111.7D626 H627 L628S624-D626 PolarHBondContact O-N 3.07Å; S624-H627 WeakPolarHBondContact O-CB 3.36Å; S624-H627 PolarHBondContact O-N 3.33Å; S624-H627 VanDerWaalsContact O-N 3.07Å; S624-H627 PolarHBondContact OG-N 3.12Å; S624-L628 PolarHBondContact O-N 3.49Å
625A58.8Low61Low66 Ų6679.6 Ų79.655%0.54549%0.489SS..Hα-helixtrans-58.8-33.6175.200000112.4H627 L628 L629A625-H627 VanDerWaalsContact C-N 3.33Å; A625-H627 PolarHBondContact O-N 2.85Å; A625-L628 WeakPolarHBondContact O-CB 3.37Å; A625-L628 PolarHBondContact O-N 3.11Å; A625-L629 PolarHBondContact O-N 3.33Å
626D60.3Low62.2Low123 Ų12377.3 Ų77.366%0.65849%0.485SS*.Hα-helixtrans-65.7-34.8176.1-47.6-72.1000112.4S624 L629 S630S624-D626 PolarHBondContact O-N 3.07Å; D626-L629 PolarHBondContact O-N 2.81Å; D626-S630 WeakPolarHBondContact O-CB 3.46Å; D626-S630 PolarHBondContact O-N 2.93Å
627H63Low63.7Low90 Ų9075.4 Ų75.442%0.41748%0.475SS..Hα-helixtrans-66.9-43.4174.8-17413.1000110.8S624 A625 L629 S630 T631S624-H627 WeakPolarHBondContact O-CB 3.36Å; S624-H627 PolarHBondContact O-N 3.33Å; S624-H627 VanDerWaalsContact O-N 3.07Å; S624-H627 PolarHBondContact OG-N 3.12Å; A625-H627 VanDerWaalsContact C-N 3.33Å; A625-H627 PolarHBondContact O-N 2.85Å; H627-L629 VanDerWaalsContact C-N 3.34Å; H627-L629 PolarHBondContact O-N 2.9Å; H627-S630 WeakPolarHBondContact O-CB 3.39Å; H627-S630 PolarHBondContact O-N 2.98Å; H627-T631 PolarHBondContact O-N 2.83Å; H627-T631 PolarHBondContact O-OG1 2.83Å
628L64.1Low64.9Low44 Ų4471.3 Ų71.323%0.2345%0.448CS..Hα-helixtrans-60.7-43.7174-162.393.9000111.2S624 A625 S630 T631 V632 H676S624-L628 PolarHBondContact O-N 3.49Å; A625-L628 WeakPolarHBondContact O-CB 3.37Å; A625-L628 PolarHBondContact O-N 3.11Å; L628-S630 VanDerWaalsContact C-N 3.34Å; L628-S630 PolarHBondContact O-N 3.25Å; L628-T631 PolarHBondContact O-N 3.21Å; L628-V632 WeakPolarHBondContact O-CG2 3.45Å; L628-V632 PolarHBondContact O-N 2.81Å; L628-H676 HydrophobicContact CD1-CB 3.76Å
629L66.6Low66.2Low117 Ų11771.2 Ų71.261%0.61345%0.447SS*.Hα-helixtrans-58.8-44.9175.7-122.978.3000111.7A625 D626 H627 T631 V632 T633A625-L629 PolarHBondContact O-N 3.33Å; D626-L629 PolarHBondContact O-N 2.81Å; H627-L629 VanDerWaalsContact C-N 3.34Å; H627-L629 PolarHBondContact O-N 2.9Å; L629-T631 PolarHBondContact O-N 2.98Å; L629-V632 PolarHBondContact O-N 2.96Å; L629-T633 PolarHBondContact O-N 3.09Å; L629-T633 PolarHBondContact O-OG1 3.34Å; L629-T633 VanDerWaalsContact O-OG1 3.1Å
630S70.4Confident67.7Low64 Ų6470.1 Ų70.145%0.44844%0.439SS..Hα-helixtrans-59.8-43.6177.4-172.20000112.2D626 H627 L628 T633 S634D626-S630 WeakPolarHBondContact O-CB 3.46Å; D626-S630 PolarHBondContact O-N 2.93Å; H627-S630 WeakPolarHBondContact O-CB 3.39Å; H627-S630 PolarHBondContact O-N 2.98Å; L628-S630 VanDerWaalsContact C-N 3.34Å; L628-S630 PolarHBondContact O-N 3.25Å; S630-T633 WeakPolarHBondContact CA-OG1 3.48Å; S630-T633 PolarHBondContact O-N 3.23Å; S630-T633 PolarHBondContact O-OG1 3.44Å; S630-S634 WeakPolarHBondContact O-CB 3.4Å; S630-S634 PolarHBondContact O-N 2.91Å; S630-S634 PolarHBondContact O-OG 2.74Å
631T67.9Low69Low16 Ų1669.9 Ų69.910%0.09843%0.426CS..Hα-helixtrans-65.4-41.4175-52.10000111.3H627 L628 L629 S634 I635 A673H627-T631 PolarHBondContact O-N 2.83Å; H627-T631 PolarHBondContact O-OG1 2.83Å; L628-T631 PolarHBondContact O-N 3.21Å; L629-T631 PolarHBondContact O-N 2.98Å; T631-S634 WeakPolarHBondContact O-CB 3.41Å; T631-S634 PolarHBondContact O-N 3Å; T631-S634 VanDerWaalsContact O-N 3.14Å; T631-I635 WeakPolarHBondContact O-CG1 3.46Å; T631-I635 PolarHBondContact O-N 3.3Å; T631-A673 HydrophobicContact CG2-CB 4.02Å
632V72.2Confident70.3Confident77 Ų7767.7 Ų67.747%0.46741%0.409SS..Hα-helixtrans-64.6-40.3176.1170.80000112.3L628 L629 S634 I635 S636L628-V632 WeakPolarHBondContact O-CG2 3.45Å; L628-V632 PolarHBondContact O-N 2.81Å; L629-V632 PolarHBondContact O-N 2.96Å; V632-S634 VanDerWaalsContact C-N 3.29Å; V632-S634 PolarHBondContact O-N 2.97Å; V632-I635 WeakPolarHBondContact O-CB 3.22Å; V632-I635 PolarHBondContact O-N 3.5Å; V632-S636 PolarHBondContact O-N 2.86Å
633T75Confident71.7Confident90 Ų9070.4 Ų70.455%0.55241%0.409SS*.Hα-helixtrans-65.5-33.117243.30000112.6L629 S630 S636 S637L629-T633 PolarHBondContact O-N 3.09Å; L629-T633 PolarHBondContact O-OG1 3.34Å; L629-T633 VanDerWaalsContact O-OG1 3.1Å; S630-T633 WeakPolarHBondContact CA-OG1 3.48Å; S630-T633 PolarHBondContact O-N 3.23Å; S630-T633 PolarHBondContact O-OG1 3.44Å; T633-S636 PolarHBondContact O-N 3.08Å; T633-S637 PolarHBondContact O-N 2.83Å; T633-S637 VanDerWaalsContact O-N 3.1Å
634S76.8Confident72.9Confident53 Ų5375.4 Ų75.437%0.37142%0.421SS..Hα-helixtrans-68.4-38.8175.1-56.20000111.8S630 T631 V632 S637 C638S630-S634 WeakPolarHBondContact O-CB 3.4Å; S630-S634 PolarHBondContact O-N 2.91Å; S630-S634 PolarHBondContact O-OG 2.74Å; T631-S634 WeakPolarHBondContact O-CB 3.41Å; T631-S634 PolarHBondContact O-N 3Å; T631-S634 VanDerWaalsContact O-N 3.14Å; V632-S634 VanDerWaalsContact C-N 3.29Å; V632-S634 PolarHBondContact O-N 2.97Å; S634-S637 PolarHBondContact O-N 2.83Å; S634-C638 WeakPolarHBondContact O-CB 3.34Å; S634-C638 PolarHBondContact O-N 3.23Å
635I78Confident73.8Confident27 Ų2772.9 Ų72.914%0.13840%0.403CS..Hα-helixtrans-60.1-46.7170.4-70.7167.7000110.6T631 V632 S637 C638 I639 L666 L669 A673T631-I635 WeakPolarHBondContact O-CG1 3.46Å; T631-I635 PolarHBondContact O-N 3.3Å; V632-I635 WeakPolarHBondContact O-CB 3.22Å; V632-I635 PolarHBondContact O-N 3.5Å; I635-S637 VanDerWaalsContact C-N 3.35Å; I635-S637 PolarHBondContact O-N 3.15Å; I635-C638 WeakPolarHBondContact O-CA 3.31Å; I635-C638 WeakPolarHBondContact O-CB 3.2Å; I635-C638 PolarHBondContact O-N 2.96Å; I635-C638 VanDerWaalsContact O-N 3.07Å; I635-I639 HydrophobicContact CG2-CD1 3.84Å; I635-I639 HydrophobicContact CG2-CG1 4.41Å; I635-I639 WeakPolarHBondContact O-CG1 3.46Å; I635-I639 PolarHBondContact O-N 2.64Å; I635-L666 HydrophobicContact CG2-CD1 3.93Å; I635-L669 HydrophobicContact CG1-CB 3.72Å; I635-A673 HydrophobicContact CD1-CB 3.56Å
636S76.5Confident74.9Confident65 Ų6575.8 Ų75.846%0.45540%0.4SS..Hα-helixtrans-57.6-46.5179.4-162.40000112V632 T633 C638 I639 E640V632-S636 PolarHBondContact O-N 2.86Å; T633-S636 PolarHBondContact O-N 3.08Å; S636-C638 VanDerWaalsContact C-N 3.31Å; S636-C638 PolarHBondContact O-N 3.47Å; S636-I639 PolarHBondContact O-N 3.1Å; S636-E640 PolarHBondContact O-N 2.92Å
637S78.9Confident75.9Confident70 Ų7073.4 Ų73.449%0.4939%0.393SS..Hα-helixtrans-65.4-33.6175.8-174.40000112.7T633 S634 I635 I639 Q641T633-S637 PolarHBondContact O-N 2.83Å; T633-S637 VanDerWaalsContact O-N 3.1Å; S634-S637 PolarHBondContact O-N 2.83Å; I635-S637 VanDerWaalsContact C-N 3.35Å; I635-S637 PolarHBondContact O-N 3.15Å; S637-I639 VanDerWaalsContact C-N 3.35Å; S637-Q641 PolarHBondContact O-N 2.96Å; S637-Q641 VanDerWaalsContact O-N 3.16Å
638C80.8Confident76.6Confident7 Ų774.8 Ų74.85%0.04740%0.4CS..Hα-helixtrans-69-30.6175-167.30000112.9S634 I635 S636 L642 L666 L669S634-C638 WeakPolarHBondContact O-CB 3.34Å; S634-C638 PolarHBondContact O-N 3.23Å; I635-C638 WeakPolarHBondContact O-CA 3.31Å; I635-C638 WeakPolarHBondContact O-CB 3.2Å; I635-C638 PolarHBondContact O-N 2.96Å; I635-C638 VanDerWaalsContact O-N 3.07Å; S636-C638 VanDerWaalsContact C-N 3.31Å; S636-C638 PolarHBondContact O-N 3.47Å; C638-L642 WeakPolarHBondContact O-CB 3.48Å; C638-L642 PolarHBondContact O-N 3.08Å; C638-L666 HydrophobicContact CB-CD1 4.42Å; C638-L669 HydrophobicContact CB-CD1 3.94Å
639I80Confident77.3Confident74 Ų7474.7 Ų74.738%0.37940%0.397SS..Hα-helixtrans-69.8-46.4176.1-69166.7000110.6I635 S636 S637 Q641 L642 E643 L666I635-I639 HydrophobicContact CG2-CD1 3.84Å; I635-I639 HydrophobicContact CG2-CG1 4.41Å; I635-I639 WeakPolarHBondContact O-CG1 3.46Å; I635-I639 PolarHBondContact O-N 2.64Å; S636-I639 PolarHBondContact O-N 3.1Å; S637-I639 VanDerWaalsContact C-N 3.35Å; I639-Q641 VanDerWaalsContact C-N 3.25Å; I639-Q641 PolarHBondContact O-N 3.31Å; I639-L642 WeakPolarHBondContact O-CB 3.37Å; I639-L642 PolarHBondContact O-N 3.32Å; I639-L642 VanDerWaalsContact O-N 3.08Å; I639-E643 PolarHBondContact O-N 3.19Å; I639-L666 HydrophobicContact CD1-CD1 4.44Å; I639-L666 HydrophobicContact CG1-CD1 3.83Å; I639-L666 HydrophobicContact CG1-CD2 4.24Å
640E80.4Confident77.9Confident130 Ų13074.5 Ų74.561%0.60740%0.396SS*.Hα-helixtrans-57.6-40173.8-67176-166.500111.8S636 K644S636-E640 PolarHBondContact O-N 2.92Å; E640-K644 PolarHBondContact O-N 3.2Å; E640-K644 VanDerWaalsContact O-N 3.16Å
641Q78.4Confident78.2Confident100 Ų10075.6 Ų75.647%0.46741%0.409SS..Hα-helixtrans-69.7-34.3176.4-171.6160.3-32.800112.5S637 I639 K644 S645S637-Q641 PolarHBondContact O-N 2.96Å; S637-Q641 VanDerWaalsContact O-N 3.16Å; I639-Q641 VanDerWaalsContact C-N 3.25Å; I639-Q641 PolarHBondContact O-N 3.31Å; Q641-K644 PolarHBondContact O-N 3.01Å; Q641-S645 WeakPolarHBondContact O-CB 3.41Å; Q641-S645 PolarHBondContact O-N 2.92Å; Q641-S645 PolarHBondContact O-OG 2.73Å
642L80.2Confident78.3Confident38 Ų3877.9 Ų77.920%0.19943%0.425CS..Hα-helixtrans-65.9-44.8173.517862.4000112.1C638 I639 K644 S645 W646 L659 I663 L666C638-L642 WeakPolarHBondContact O-CB 3.48Å; C638-L642 PolarHBondContact O-N 3.08Å; I639-L642 WeakPolarHBondContact O-CB 3.37Å; I639-L642 PolarHBondContact O-N 3.32Å; I639-L642 VanDerWaalsContact O-N 3.08Å; L642-K644 VanDerWaalsContact C-N 3.28Å; L642-K644 PolarHBondContact O-N 3.39Å; L642-S645 PolarHBondContact O-N 3.3Å; L642-W646 VanDerWaalsContact O-CB 3.31Å; L642-W646 WeakPolarHBondContact O-CB 3.44Å; L642-W646 PolarHBondContact O-N 3.1Å; L642-L659 HydrophobicContact CD1-CD1 3.73Å; L642-I663 HydrophobicContact CD1-CG1 3.76Å; L642-L666 HydrophobicContact CD2-CD2 3.62Å
643E81.1Confident78.1Confident129 Ų12977.3 Ų77.360%0.60342%0.423SS*.Hα-helixtrans-60.5-39.6175.9-69.2-171154.200111.6I639 S647I639-E643 PolarHBondContact O-N 3.19Å; E643-S647 WeakPolarHBondContact O-CB 3.46Å; E643-S647 PolarHBondContact O-N 3.22Å; E643-S647 PolarHBondContact O-OG 3.5Å
644K81.9Confident77.7Confident139 Ų13979.3 Ų79.360%0.60443%0.425SS*.Hα-helixtrans-64.8-45.9174.8-174.1179.2179.8-178.80112.1E640 Q641 L642 S647 Q648E640-K644 PolarHBondContact O-N 3.2Å; E640-K644 VanDerWaalsContact O-N 3.16Å; Q641-K644 PolarHBondContact O-N 3.01Å; L642-K644 VanDerWaalsContact C-N 3.28Å; L642-K644 PolarHBondContact O-N 3.39Å; K644-S647 WeakPolarHBondContact O-CB 3.36Å; K644-S647 PolarHBondContact O-N 3.2Å; K644-Q648 WeakPolarHBondContact O-CG 3.14Å; K644-Q648 PolarHBondContact O-N 3.47Å
645S79.3Confident77.3Confident11 Ų1181.5 Ų81.58%0.07743%0.433CS..Hα-helixtrans-67.1-36.4177.4-66.20000112.9Q641 L642 Q648 Y649 S662Q641-S645 WeakPolarHBondContact O-CB 3.41Å; Q641-S645 PolarHBondContact O-N 2.92Å; Q641-S645 PolarHBondContact O-OG 2.73Å; L642-S645 PolarHBondContact O-N 3.3Å; S645-Q648 PolarHBondContact O-N 3.47Å; S645-Y649 PolarHBondContact O-N 2.92Å; S645-S662 PolarHBondContact OG-OG 3.2Å
646W80.8Confident77.1Confident128 Ų12881.2 Ų81.249%0.48543%0.432SS..Hα-helixtrans-61.2-45.1170.9178-108.7000111.8L642 Q648 Y649 L650 L659L642-W646 VanDerWaalsContact O-CB 3.31Å; L642-W646 WeakPolarHBondContact O-CB 3.44Å; L642-W646 PolarHBondContact O-N 3.1Å; W646-Q648 VanDerWaalsContact C-N 3.29Å; W646-Q648 PolarHBondContact O-N 3.18Å; W646-Y649 HydrophobicContact CE3-CD1 4.21Å; W646-Y649 HydrophobicContact CZ3-CD1 4.1Å; W646-Y649 HydrophobicContact CZ3-CE1 4.28Å; W646-Y649 PolarHBondContact O-N 2.96Å; W646-L650 HydrophobicContact CZ2-CD2 4.41Å; W646-L650 PolarHBondContact O-N 2.94Å; W646-L659 HydrophobicContact CB-CD1 4.32Å; W646-L659 HydrophobicContact CE3-CD1 4.06Å; W646-L659 HydrophobicContact CE3-CD2 3.74Å; W646-L659 HydrophobicContact CZ3-CD2 4.07Å
647S81.2Confident76.8Confident73 Ų7381.6 Ų81.651%0.5144%0.435SS..Hα-helixtrans-61.6-36.5176.1-54.70000112.5E643 K644 A651E643-S647 WeakPolarHBondContact O-CB 3.46Å; E643-S647 PolarHBondContact O-N 3.22Å; E643-S647 PolarHBondContact O-OG 3.5Å; K644-S647 WeakPolarHBondContact O-CB 3.36Å; K644-S647 PolarHBondContact O-N 3.2Å; S647-A651 PolarHBondContact O-N 3.36Å
648Q78.2Confident76.5Confident119 Ų11979.7 Ų79.756%0.55643%0.426SS*.Hα-helixtrans-69.4-43175.1-71.7175.6-52.400112.1K644 S645 W646 L650 A651 C652K644-Q648 WeakPolarHBondContact O-CG 3.14Å; K644-Q648 PolarHBondContact O-N 3.47Å; S645-Q648 PolarHBondContact O-N 3.47Å; W646-Q648 VanDerWaalsContact C-N 3.29Å; W646-Q648 PolarHBondContact O-N 3.18Å; Q648-L650 VanDerWaalsContact C-N 3.33Å; Q648-L650 PolarHBondContact O-N 2.9Å; Q648-A651 PolarHBondContact O-N 3.28Å; Q648-A651 VanDerWaalsContact O-N 3.11Å; Q648-C652 PolarHBondContact O-N 3.42Å
649Y78Confident76.4Confident41 Ų4179.6 Ų79.616%0.16143%0.425CS..Hα-helixtrans-61.8-37.8175.8171.7-105.5000112.8L595 S645 W646 A651 C652 P653 I656 L659L595-Y649 HydrophobicContact CD1-CE1 4.35Å; S645-Y649 PolarHBondContact O-N 2.92Å; W646-Y649 HydrophobicContact CE3-CD1 4.21Å; W646-Y649 HydrophobicContact CZ3-CD1 4.1Å; W646-Y649 HydrophobicContact CZ3-CE1 4.28Å; W646-Y649 PolarHBondContact O-N 2.96Å; Y649-A651 VanDerWaalsContact C-N 3.3Å; Y649-A651 PolarHBondContact O-N 3.14Å; Y649-C652 CarbonylContact O-C 3.58Å; Y649-C652 VanDerWaalsContact O-C 3.23Å; Y649-C652 PolarHBondContact O-N 3.35Å; Y649-P653 HydrophobicContact CE2-CB 4.3Å; Y649-P653 WeakPolarHBondContact O-CA 3.43Å; Y649-P653 VanDerWaalsContact O-N 3.17Å; Y649-I656 HydrophobicContact CD2-CB 4.5Å; Y649-I656 HydrophobicContact CD2-CG1 4.17Å; Y649-I656 HydrophobicContact CE2-CB 4.42Å; Y649-I656 HydrophobicContact CE2-CD1 4.19Å; Y649-I656 HydrophobicContact CE2-CG1 3.89Å; Y649-L659 HydrophobicContact CD1-CD2 3.6Å; Y649-L659 HydrophobicContact CD2-CD2 4.2Å; Y649-L659 HydrophobicContact CE1-CD2 4.2Å; Y649-L659 HydrophobicContact CG-CD2 3.59Å
650L80.6Confident76.2Confident113 Ų11377.4 Ų77.459%0.59241%0.414SS*.Hα-helixtrans-64.7-32173.4-73.8174.4000113.1W646 Q648W646-L650 HydrophobicContact CZ2-CD2 4.41Å; W646-L650 PolarHBondContact O-N 2.94Å; Q648-L650 VanDerWaalsContact C-N 3.33Å; Q648-L650 PolarHBondContact O-N 2.9Å
651A75.9Confident76.2Confident88 Ų8876.9 Ų76.973%0.72741%0.411SS*.Hα-helixtrans-80.7-30.8176.900000113.1S647 Q648 Y649S647-A651 PolarHBondContact O-N 3.36Å; Q648-A651 PolarHBondContact O-N 3.28Å; Q648-A651 VanDerWaalsContact O-N 3.11Å; Y649-A651 VanDerWaalsContact C-N 3.3Å; Y649-A651 PolarHBondContact O-N 3.14Å
652C71.1Confident76.3Confident64 Ų6472.3 Ų72.343%0.43239%0.39SS..  trans-143.589.7177-168.20000111.5Q648 Y649 E654 D655Q648-C652 PolarHBondContact O-N 3.42Å; Y649-C652 CarbonylContact O-C 3.58Å; Y649-C652 VanDerWaalsContact O-C 3.23Å; Y649-C652 PolarHBondContact O-N 3.35Å; C652-E654 PolarHBondContact O-N 3.03Å; C652-D655 PolarHBondContact O-N 2.92Å
653P67.9Low76.2Confident65 Ų6572.3 Ų72.342%0.42239%0.39SS..THydrogen-bonded Turntrans-66.73.2-179.3-23.335000115.6R591 Y649R591-P653 WeakPolarHBondContact CD-O 3.45Å; R591-P653 PolarHBondContact NH1-O 3.23Å; Y649-P653 HydrophobicContact CE2-CB 4.3Å; Y649-P653 WeakPolarHBondContact O-CA 3.43Å; Y649-P653 VanDerWaalsContact O-N 3.17Å
654E65.3Low75.9Confident131 Ų13168.9 Ų68.961%0.61238%0.378SS*.THydrogen-bonded Turntrans-76.2-41.3172.1-63-60.8110.300111.8R591 C652 I656R591-E654 IonicContact CZ-OE1 2.76Å; R591-E654 VanDerWaalsContact CZ-OE1 3.28Å; R591-E654 IonicContact CZ-OE2 3.87Å; R591-E654 IonicContact NH1-OE1 2.61Å; R591-E654 PolarHBondContact NH1-OE1 2.86Å; R591-E654 IonicContact NH1-OE2 3.53Å; R591-E654 IonicContact NH2-OE1 3.28Å; R591-E654 PolarHBondContact NH2-OE1 2.81Å; R591-E654 IonicContact NH2-OE2 3.75Å; R591-E654 PolarHBondContact NH2-OE2 3.18Å; C652-E654 PolarHBondContact O-N 3.03Å; E654-I656 PolarHBondContact O-N 3.11Å
655D68.1Low75.8Confident99 Ų9965.6 Ų65.653%0.52937%0.366SS..  trans-96.495-179.2-173.56.6000111.2C652 S657C652-D655 PolarHBondContact O-N 2.92Å; D655-S657 VanDerWaalsContact OD1-CB 3.27Å; D655-S657 WeakPolarHBondContact OD1-CB 3.18Å; D655-S657 PolarHBondContact OD1-N 3.5Å; D655-S657 PolarHBondContact OD1-OG 3.33Å
656I74.4Confident75.9Confident21 Ų2166.6 Ų66.611%0.10837%0.371CS..  trans-89.4-7.1177.1-152168.7000112.5R591 L595 Y649 E654 L659 L660R591-I656 HydrophobicContact CB-CD1 3.79Å; R591-I656 HydrophobicContact CG-CD1 4.1Å; R591-I656 WeakPolarHBondContact O-CD1 3.43Å; L595-I656 HydrophobicContact CD1-CD1 3.95Å; L595-I656 HydrophobicContact CG-CD1 3.87Å; L595-I656 HydrophobicContact CG-CG1 4.41Å; Y649-I656 HydrophobicContact CD2-CB 4.5Å; Y649-I656 HydrophobicContact CD2-CG1 4.17Å; Y649-I656 HydrophobicContact CE2-CB 4.42Å; Y649-I656 HydrophobicContact CE2-CD1 4.19Å; Y649-I656 HydrophobicContact CE2-CG1 3.89Å; E654-I656 PolarHBondContact O-N 3.11Å; I656-L659 PolarHBondContact O-N 2.88Å; I656-L660 HydrophobicContact CG1-CD1 4.36Å; I656-L660 HydrophobicContact CG1-CD2 4.43Å; I656-L660 HydrophobicContact CG1-CG 4.15Å; I656-L660 HydrophobicContact CG2-CD1 3.84Å; I656-L660 HydrophobicContact CG2-CG 4.41Å; I656-L660 WeakPolarHBondContact O-CG 3.33Å; I656-L660 PolarHBondContact O-N 3.34Å; I656-L660 VanDerWaalsContact O-N 3.11Å
657S70.6Confident75.5Confident74 Ų7460.8 Ų60.852%0.51735%0.35SS..Hα-helixtrans-67.1-49.8-162.167.80000113.3D655 L659 L660 H661D655-S657 VanDerWaalsContact OD1-CB 3.27Å; D655-S657 WeakPolarHBondContact OD1-CB 3.18Å; D655-S657 PolarHBondContact OD1-N 3.5Å; D655-S657 PolarHBondContact OD1-OG 3.33Å; S657-L659 VanDerWaalsContact C-N 3.28Å; S657-L659 PolarHBondContact O-N 3.14Å; S657-L660 PolarHBondContact O-N 3.32Å; S657-H661 WeakPolarHBondContact O-CB 3.49Å; S657-H661 PolarHBondContact O-N 3.22Å
658G73.3Confident75.2Confident30 Ų3061.8 Ų61.831%0.30935%0.346SS..Hα-helixtrans-64.5-30.3178.300000113.5S662G658-S662 WeakPolarHBondContact O-CB 3.33Å; G658-S662 PolarHBondContact O-N 3.33Å; G658-S662 VanDerWaalsContact O-N 3.08Å; G658-S662 PolarHBondContact O-OG 3.13Å
659L78.8Confident75.1Confident5 Ų557.8 Ų57.83%0.02633%0.329CS..Hα-helixtrans-71.3-48.2176.4178.758.2000111.4L595 L642 W646 Y649 I656 S657 H661 S662 I663L595-L659 HydrophobicContact CD2-CD2 3.85Å; L595-L659 HydrophobicContact CD2-CG 4.2Å; L642-L659 HydrophobicContact CD1-CD1 3.73Å; W646-L659 HydrophobicContact CB-CD1 4.32Å; W646-L659 HydrophobicContact CE3-CD1 4.06Å; W646-L659 HydrophobicContact CE3-CD2 3.74Å; W646-L659 HydrophobicContact CZ3-CD2 4.07Å; Y649-L659 HydrophobicContact CD1-CD2 3.6Å; Y649-L659 HydrophobicContact CD2-CD2 4.2Å; Y649-L659 HydrophobicContact CE1-CD2 4.2Å; Y649-L659 HydrophobicContact CG-CD2 3.59Å; I656-L659 PolarHBondContact O-N 2.88Å; S657-L659 VanDerWaalsContact C-N 3.28Å; S657-L659 PolarHBondContact O-N 3.14Å; L659-H661 VanDerWaalsContact C-N 3.32Å; L659-H661 PolarHBondContact O-N 2.93Å; L659-S662 PolarHBondContact O-N 2.89Å; L659-I663 HydrophobicContact CD1-CD1 3.92Å; L659-I663 HydrophobicContact CD1-CG1 4.26Å; L659-I663 HydrophobicContact CG-CD1 3.97Å; L659-I663 VanDerWaalsContact O-CG1 3.31Å; L659-I663 WeakPolarHBondContact O-CG1 3.32Å; L659-I663 PolarHBondContact O-N 3.45Å
660L75.8Confident74.9Confident28 Ų2857.6 Ų57.615%0.14733%0.332CS..Hα-helixtrans-62.2-39.9177.3-61.6176.4000111.9L594 L595 I656 S657 T664L594-L660 HydrophobicContact CB-CD1 4.08Å; L594-L660 HydrophobicContact CB-CD2 4.45Å; L595-L660 HydrophobicContact CD2-CD2 3.82Å; L595-L660 HydrophobicContact CG-CD2 4.19Å; I656-L660 HydrophobicContact CG1-CD1 4.36Å; I656-L660 HydrophobicContact CG1-CD2 4.43Å; I656-L660 HydrophobicContact CG1-CG 4.15Å; I656-L660 HydrophobicContact CG2-CD1 3.84Å; I656-L660 HydrophobicContact CG2-CG 4.41Å; I656-L660 WeakPolarHBondContact O-CG 3.33Å; I656-L660 PolarHBondContact O-N 3.34Å; I656-L660 VanDerWaalsContact O-N 3.11Å; S657-L660 PolarHBondContact O-N 3.32Å; L660-T664 WeakPolarHBondContact O-CB 3.44Å; L660-T664 PolarHBondContact O-N 3.32Å; L660-T664 PolarHBondContact O-OG1 3.38Å
661H78.9Confident74.4Confident119 Ų11953.1 Ų53.155%0.55131%0.31SS*.Hα-helixtrans-61.6-47.2175.8-176.770000111.6S657 L659 I663 T664 L665S657-H661 WeakPolarHBondContact O-CB 3.49Å; S657-H661 PolarHBondContact O-N 3.22Å; L659-H661 VanDerWaalsContact C-N 3.32Å; L659-H661 PolarHBondContact O-N 2.93Å; H661-I663 PolarHBondContact O-N 3.33Å; H661-T664 PolarHBondContact O-N 3.24Å; H661-L665 WeakPolarHBondContact O-CB 3.37Å; H661-L665 PolarHBondContact O-N 2.9Å
662S80.3Confident74.1Confident3 Ų352.7 Ų52.72%0.02130%0.296CS..Hα-helixtrans-65.4-37.9179.9-57.60000112.8S645 G658 L659 L666S645-S662 PolarHBondContact OG-OG 3.2Å; G658-S662 WeakPolarHBondContact O-CB 3.33Å; G658-S662 PolarHBondContact O-N 3.33Å; G658-S662 VanDerWaalsContact O-N 3.08Å; G658-S662 PolarHBondContact O-OG 3.13Å; L659-S662 PolarHBondContact O-N 2.89Å; S662-L666 WeakPolarHBondContact O-CB 3.42Å; S662-L666 PolarHBondContact O-N 3.2Å
663I78.9Confident74Confident39 Ų3950.6 Ų50.620%0.228%0.283CS..Hα-helixtrans-63.2-45.2174.3-69.1166.7000110.9L595 A602 L642 L659 H661 A667L595-I663 HydrophobicContact CD2-CD1 4.03Å; A602-I663 HydrophobicContact CB-CG2 4.35Å; L642-I663 HydrophobicContact CD1-CG1 3.76Å; L659-I663 HydrophobicContact CD1-CD1 3.92Å; L659-I663 HydrophobicContact CD1-CG1 4.26Å; L659-I663 HydrophobicContact CG-CD1 3.97Å; L659-I663 VanDerWaalsContact O-CG1 3.31Å; L659-I663 WeakPolarHBondContact O-CG1 3.32Å; L659-I663 PolarHBondContact O-N 3.45Å; H661-I663 PolarHBondContact O-N 3.33Å; I663-A667 WeakPolarHBondContact O-CB 3.49Å; I663-A667 PolarHBondContact O-N 2.94Å; I663-A667 VanDerWaalsContact O-N 3.07Å
664T74.7Confident74Confident57 Ų5749.4 Ų49.435%0.3527%0.272SS..Hα-helixtrans-69.6-40-178.2-530000111.7L660 H661 A667 H668L660-T664 WeakPolarHBondContact O-CB 3.44Å; L660-T664 PolarHBondContact O-N 3.32Å; L660-T664 PolarHBondContact O-OG1 3.38Å; H661-T664 PolarHBondContact O-N 3.24Å; T664-A667 PolarHBondContact O-N 2.81Å; T664-H668 PolarHBondContact O-CD2 3.32Å; T664-H668 PolarHBondContact O-N 3.47Å; T664-H668 VanDerWaalsContact O-N 3.1Å
665L79.9Confident73.9Confident69 Ų6945.4 Ų45.436%0.36126%0.261SS..Hα-helixtrans-64.3-45.2176-178.560.6000111.6H661 A667 H668 L669H661-L665 WeakPolarHBondContact O-CB 3.37Å; H661-L665 PolarHBondContact O-N 2.9Å; L665-A667 VanDerWaalsContact C-N 3.3Å; L665-A667 PolarHBondContact O-N 3.25Å; L665-H668 PolarHBondContact O-N 3.33Å; L665-L669 HydrophobicContact CD1-CD1 4.12Å; L665-L669 HydrophobicContact CD1-CG 4.24Å; L665-L669 HydrophobicContact CG-CD1 4.01Å; L665-L669 WeakPolarHBondContact O-CG 3.32Å; L665-L669 PolarHBondContact O-N 3.32Å
666L80.6Confident73.6Confident33 Ų3343.3 Ų43.317%0.17325%0.248CC..Hα-helixtrans-60.5-40.5176.2-178.260.9000111.6I635 C638 I639 L642 S662 T670I635-L666 HydrophobicContact CG2-CD1 3.93Å; C638-L666 HydrophobicContact CB-CD1 4.42Å; I639-L666 HydrophobicContact CD1-CD1 4.44Å; I639-L666 HydrophobicContact CG1-CD1 3.83Å; I639-L666 HydrophobicContact CG1-CD2 4.24Å; L642-L666 HydrophobicContact CD2-CD2 3.62Å; S662-L666 WeakPolarHBondContact O-CB 3.42Å; S662-L666 PolarHBondContact O-N 3.2Å; L666-T670 VanDerWaalsContact O-CB 3.22Å; L666-T670 WeakPolarHBondContact O-CB 3.4Å; L666-T670 PolarHBondContact O-N 3.08Å; L666-T670 PolarHBondContact O-OG1 2.93Å
667A73.9Confident73Confident6 Ų643 Ų435%0.0525%0.25CS..Hα-helixtrans-63.6-44.6178.100000112.8A602 I663 T664 L665 T670 S671A602-A667 HydrophobicContact CB-CB 3.47Å; A602-A667 VanDerWaalsContact CB-CB 3.47Å; I663-A667 WeakPolarHBondContact O-CB 3.49Å; I663-A667 PolarHBondContact O-N 2.94Å; I663-A667 VanDerWaalsContact O-N 3.07Å; T664-A667 PolarHBondContact O-N 2.81Å; L665-A667 VanDerWaalsContact C-N 3.3Å; L665-A667 PolarHBondContact O-N 3.25Å; A667-T670 PolarHBondContact O-N 2.82Å; A667-S671 VanDerWaalsContact O-CB 3.27Å; A667-S671 WeakPolarHBondContact O-CB 3.47Å; A667-S671 PolarHBondContact O-N 3.03Å
668H74.6Confident72.2Confident93 Ų9340.5 Ų40.543%0.43123%0.234SC..Hα-helixtrans-64.4-48.9175.3-82.9-66.2000112.4T664 L665 T670 S671 D672T664-H668 PolarHBondContact O-CD2 3.32Å; T664-H668 PolarHBondContact O-N 3.47Å; T664-H668 VanDerWaalsContact O-N 3.1Å; L665-H668 PolarHBondContact O-N 3.33Å; H668-T670 VanDerWaalsContact C-N 3.26Å; H668-T670 PolarHBondContact O-N 2.68Å; H668-S671 WeakPolarHBondContact O-CB 3.46Å; H668-S671 PolarHBondContact O-N 3.45Å; H668-S671 VanDerWaalsContact O-N 3.11Å; H668-D672 PolarHBondContact O-N 2.98Å
669L76Confident71.3Confident35 Ų3540.2 Ų40.218%0.18323%0.227CC..Hα-helixtrans-60.7-37.4178.2-68172.3000112I635 C638 L665 A673I635-L669 HydrophobicContact CG1-CB 3.72Å; C638-L669 HydrophobicContact CB-CD1 3.94Å; L665-L669 HydrophobicContact CD1-CD1 4.12Å; L665-L669 HydrophobicContact CD1-CG 4.24Å; L665-L669 HydrophobicContact CG-CD1 4.01Å; L665-L669 WeakPolarHBondContact O-CG 3.32Å; L665-L669 PolarHBondContact O-N 3.32Å; L669-A673 VanDerWaalsContact O-CB 3.31Å; L669-A673 WeakPolarHBondContact O-CB 3.14Å; L669-A673 PolarHBondContact O-N 3.25Å
670T72.9Confident70.2Confident38 Ų3842.1 Ų42.123%0.23324%0.239CC..Hα-helixtrans-69-39.5175.2-55.90000111.7I606 L666 A667 H668 A673 I674I606-T670 HydrophobicContact CD1-CG2 4.16Å; I606-T670 HydrophobicContact CG1-CG2 4.42Å; L666-T670 VanDerWaalsContact O-CB 3.22Å; L666-T670 WeakPolarHBondContact O-CB 3.4Å; L666-T670 PolarHBondContact O-N 3.08Å; L666-T670 PolarHBondContact O-OG1 2.93Å; A667-T670 PolarHBondContact O-N 2.82Å; H668-T670 VanDerWaalsContact C-N 3.26Å; H668-T670 PolarHBondContact O-N 2.68Å; T670-A673 PolarHBondContact O-N 3.06Å; T670-I674 HydrophobicContact CG2-CD1 3.98Å; T670-I674 WeakPolarHBondContact O-CB 3.39Å; T670-I674 VanDerWaalsContact O-CG1 3.26Å; T670-I674 WeakPolarHBondContact O-CG1 3.44Å; T670-I674 PolarHBondContact O-N 3.39Å
671S70.8Confident68.8Low18 Ų1845.2 Ų45.213%0.12626%0.261CS..Hα-helixtrans-62.7-46.8174.9177.40000111.9V605 A609 A667 H668 A673 I674 A675V605-S671 PolarHBondContact O-OG 3.11Å; A609-S671 WeakPolarHBondContact CB-OG 3.43Å; A667-S671 VanDerWaalsContact O-CB 3.27Å; A667-S671 WeakPolarHBondContact O-CB 3.47Å; A667-S671 PolarHBondContact O-N 3.03Å; H668-S671 WeakPolarHBondContact O-CB 3.46Å; H668-S671 PolarHBondContact O-N 3.45Å; H668-S671 VanDerWaalsContact O-N 3.11Å; S671-A673 VanDerWaalsContact C-N 3.34Å; S671-A673 PolarHBondContact O-N 2.87Å; S671-I674 PolarHBondContact O-N 3.36Å; S671-A675 PolarHBondContact O-N 3.42Å
672D68.7Low67.4Low80 Ų8046.5 Ų46.543%0.42827%0.271SS..Hα-helixtrans-61.4-42.5174.3-71.5-16.8000111.2H668 I674 A675 H676H668-D672 PolarHBondContact O-N 2.98Å; D672-I674 VanDerWaalsContact C-N 3.32Å; D672-I674 PolarHBondContact O-N 3.24Å; D672-A675 PolarHBondContact O-N 3.41Å; D672-H676 WeakPolarHBondContact O-CB 3.38Å; D672-H676 PolarHBondContact O-CD2 2.98Å; D672-H676 PolarHBondContact O-N 3.28Å
673A68.8Low65.9Low19 Ų1957.4 Ų57.416%0.15731%0.312CS..Hα-helixtrans-67.3-28.8175.600000113.5T631 I635 L669 T670 S671 G677T631-A673 HydrophobicContact CG2-CB 4.02Å; I635-A673 HydrophobicContact CD1-CB 3.56Å; L669-A673 VanDerWaalsContact O-CB 3.31Å; L669-A673 WeakPolarHBondContact O-CB 3.14Å; L669-A673 PolarHBondContact O-N 3.25Å; T670-A673 PolarHBondContact O-N 3.06Å; S671-A673 VanDerWaalsContact C-N 3.34Å; S671-A673 PolarHBondContact O-N 2.87Å; A673-G677 VanDerWaalsContact O-CA 3.25Å; A673-G677 WeakPolarHBondContact O-CA 3.44Å; A673-G677 PolarHBondContact O-N 2.88Å
674I68.4Low64.1Low41 Ų4159 Ų5921%0.2133%0.332CS..Hα-helixtrans-71.5-44.5171.5-74.4166000110.3I606 A609 L610 T670 S671 D672 G677 A678I606-I674 HydrophobicContact CG2-CD1 3.89Å; A609-I674 HydrophobicContact CB-CB 4.47Å; A609-I674 HydrophobicContact CB-CG2 4.06Å; L610-I674 HydrophobicContact CD2-CD1 4.37Å; L610-I674 HydrophobicContact CD2-CG2 4.01Å; L610-I674 HydrophobicContact CG-CG2 4.49Å; T670-I674 HydrophobicContact CG2-CD1 3.98Å; T670-I674 WeakPolarHBondContact O-CB 3.39Å; T670-I674 VanDerWaalsContact O-CG1 3.26Å; T670-I674 WeakPolarHBondContact O-CG1 3.44Å; T670-I674 PolarHBondContact O-N 3.39Å; S671-I674 PolarHBondContact O-N 3.36Å; D672-I674 VanDerWaalsContact C-N 3.32Å; D672-I674 PolarHBondContact O-N 3.24Å; I674-G677 PolarHBondContact O-N 3.4Å; I674-A678 VanDerWaalsContact O-CB 3.26Å; I674-A678 WeakPolarHBondContact O-CB 3.46Å; I674-A678 PolarHBondContact O-N 3.29Å
675A63.1Low62.3Low46 Ų4662.3 Ų62.338%0.3835%0.354SS..Hα-helixtrans-67.2-42.3178.800000112.9S671 D672 T679S671-A675 PolarHBondContact O-N 3.42Å; D672-A675 PolarHBondContact O-N 3.41Å; A675-T679 PolarHBondContact O-N 3.1Å; A675-T679 PolarHBondContact O-OG1 3.29Å
676H62.4Low60.5Low55 Ų5564.8 Ų64.826%0.25537%0.374SS..Hα-helixtrans-74.5-29.1172.7-67.5-54.5000112.3L628 D672 T679 T680L628-H676 HydrophobicContact CD1-CB 3.76Å; D672-H676 WeakPolarHBondContact O-CB 3.38Å; D672-H676 PolarHBondContact O-CD2 2.98Å; D672-H676 PolarHBondContact O-N 3.28Å; H676-T679 WeakPolarHBondContact CA-OG1 3.47Å; H676-T679 PolarHBondContact O-OG1 2.64Å; H676-T680 VanDerWaalsContact O-CB 3.25Å; H676-T680 WeakPolarHBondContact O-CB 3.43Å; H676-T680 PolarHBondContact O-N 3.32Å; H676-T680 VanDerWaalsContact O-N 3.14Å; H676-T680 PolarHBondContact O-OG1 3.45Å
677G61Low58.5Low14 Ų1472 Ų7214%0.14441%0.407CS..Hα-helixtrans-66.7-48.3173.100000111.6A673 I674 T679 T680 C681A673-G677 VanDerWaalsContact O-CA 3.25Å; A673-G677 WeakPolarHBondContact O-CA 3.44Å; A673-G677 PolarHBondContact O-N 2.88Å; I674-G677 PolarHBondContact O-N 3.4Å; G677-T679 PolarHBondContact O-N 3Å; G677-T680 PolarHBondContact O-N 2.81Å; G677-T680 VanDerWaalsContact O-N 3.13Å; G677-C681 VanDerWaalsContact O-CB 3.28Å; G677-C681 WeakPolarHBondContact O-CB 3.43Å; G677-C681 PolarHBondContact O-N 3.26Å; G677-C681 PolarHBondContact O-SG 3.43Å
678A54.9Low57.3Low23 Ų2375.8 Ų75.819%0.1943%0.431CS..Hα-helixtrans-50.4-55.1175.500000112.4L613 I674 T680 C681 L682L613-A678 HydrophobicContact CD2-CB 3.38Å; L613-A678 HydrophobicContact CG-CB 4.39Å; I674-A678 VanDerWaalsContact O-CB 3.26Å; I674-A678 WeakPolarHBondContact O-CB 3.46Å; I674-A678 PolarHBondContact O-N 3.29Å; A678-T680 VanDerWaalsContact C-N 3.26Å; A678-T680 PolarHBondContact O-N 3.43Å; A678-C681 PolarHBondContact O-N 3.02Å; A678-L682 WeakPolarHBondContact O-CG 3.48Å; A678-L682 PolarHBondContact O-N 3.09Å
679T54.2Low55.6Low24 Ų2476.1 Ų76.115%0.14745%0.45CS..Hα-helixtrans-68.1-24.1-178.747.50000113.1L618 A675 H676 G677L618-T679 WeakPolarHBondContact O-CG2 3.42Å; A675-T679 PolarHBondContact O-N 3.1Å; A675-T679 PolarHBondContact O-OG1 3.29Å; H676-T679 WeakPolarHBondContact CA-OG1 3.47Å; H676-T679 PolarHBondContact O-OG1 2.64Å; G677-T679 PolarHBondContact O-N 3Å
680T55Low54Low45 Ų4577.4 Ų77.428%0.27646%0.457SS..Hα-helixtrans-84.1-42.7175.9-55.70000112.6H676 G677 A678 L682 R683H676-T680 VanDerWaalsContact O-CB 3.25Å; H676-T680 WeakPolarHBondContact O-CB 3.43Å; H676-T680 PolarHBondContact O-N 3.32Å; H676-T680 VanDerWaalsContact O-N 3.14Å; H676-T680 PolarHBondContact O-OG1 3.45Å; G677-T680 PolarHBondContact O-N 2.81Å; G677-T680 VanDerWaalsContact O-N 3.13Å; A678-T680 VanDerWaalsContact C-N 3.26Å; A678-T680 PolarHBondContact O-N 3.43Å; T680-L682 VanDerWaalsContact C-N 3.27Å; T680-L682 PolarHBondContact O-N 2.81Å; T680-R683 PolarHBondContact O-N 3.16Å
681C47.7Very low52.6Low92 Ų9282.8 Ų82.862%0.62248%0.484SS*.Hα-helixtrans-68.3-23-175.8-74.30000113.4G677 A678 R683 A684G677-C681 VanDerWaalsContact O-CB 3.28Å; G677-C681 WeakPolarHBondContact O-CB 3.43Å; G677-C681 PolarHBondContact O-N 3.26Å; G677-C681 PolarHBondContact O-SG 3.43Å; A678-C681 PolarHBondContact O-N 3.02Å; C681-R683 PolarHBondContact O-N 3.31Å; C681-A684 PolarHBondContact O-N 2.88Å
682L48.9Very low51.1Low146 Ų14692.1 Ų92.176%0.76452%0.518SS*.THydrogen-bonded Turntrans-63.56172-76167.8000114.7A678 T680A678-L682 WeakPolarHBondContact O-CG 3.48Å; A678-L682 PolarHBondContact O-N 3.09Å; T680-L682 VanDerWaalsContact C-N 3.27Å; T680-L682 PolarHBondContact O-N 2.81Å
683R48.7Very low49.8Very low232 Ų23296.9 Ų96.988%0.87553%0.53SS*.THydrogen-bonded Turntrans-129.712.2176.5-81.3-172.7169178.4-1.3116.2T680 C681T680-R683 PolarHBondContact O-N 3.16Å; C681-R683 PolarHBondContact O-N 3.31Å
684A40.7Very low48.6Very low74 Ų74103.5 Ų103.561%0.61255%0.551SS**  trans-119.7133.3178.800000113.1C681C681-A684 PolarHBondContact O-N 2.88Å
685P37Very low47.4Very low126 Ų126109.3 Ų109.382%0.81857%0.574SS**  trans-83.3149.7179.233.3-34.8000113.2
686P42.3Very low46.6Very low121 Ų121113.6 Ų113.679%0.78659%0.586SS**  trans-106.4138.6-174.337.6-32.4000115.4
687E38.9Very low45.8Very low184 Ų184117.4 Ų117.486%0.8660%0.604SS**  trans168.8161.5149.7-93.3-118.7125.300110.1
688P48.1Very low45Very low85 Ų85123 Ų12355%0.55263%0.626SS**  cis-132.6162.9-32.333-15.6000114.3D690P688-D690 VanDerWaalsContact C-N 3.3Å; P688-D690 HydrophobicContact CG-CB 4.44Å; P688-D690 PolarHBondContact O-N 2.78Å
689A40.1Very low44.5Very low101 Ų101128.5 Ų128.584%0.83565%0.652SS**  trans-8257.217900000114
690D41Very low44.1Very low62 Ų62133.1 Ų133.133%0.33267%0.672SS.*  trans-91.1-9.6-166-152.445.1000115.5P688 Y692 R693 R694P688-D690 VanDerWaalsContact C-N 3.3Å; P688-D690 HydrophobicContact CG-CB 4.44Å; P688-D690 PolarHBondContact O-N 2.78Å; D690-Y692 PolarHBondContact O-N 2.81Å; D690-R693 IonicContact OD1-NH1 3.99Å; D690-R694 IonicContact OD2-CZ 2.69Å; D690-R694 IonicContact OD2-NE 2.74Å; D690-R694 PolarHBondContact OD2-NE 3.07Å; D690-R694 IonicContact OD2-NH2 3.26Å; D690-R694 PolarHBondContact OD2-NH2 3.07Å
691L43Very low43.6Very low151 Ų151133.9 Ų133.979%0.79168%0.683SS**Hα-helixtrans-74.1-28.8-170.2-159.869.3000114.4
692Y40.4Very low43.4Very low214 Ų214136.5 Ų136.584%0.83969%0.688SS**Hα-helixtrans-84.2-16.7-173.6-94.6-92000114.9D690D690-Y692 PolarHBondContact O-N 2.81Å
693R41.6Very low43.1Very low180 Ų180136.9 Ų136.968%0.67969%0.686SS**Hα-helixtrans-81.5-28.2-175.6-162.5175.6-71134-5.3113.3D690D690-R693 IonicContact OD1-NH1 3.99Å
694R43.8Very low43Very low158 Ų158133.1 Ų133.160%0.59668%0.68SS**Hα-helixtrans-74.5-44.7-172.3-57.3-176.9-170.3-1721.1113.1D690 H696 Q697D690-R694 IonicContact OD2-CZ 2.69Å; D690-R694 IonicContact OD2-NE 2.74Å; D690-R694 PolarHBondContact OD2-NE 3.07Å; D690-R694 IonicContact OD2-NH2 3.26Å; D690-R694 PolarHBondContact OD2-NH2 3.07Å; R694-H696 PolarHBondContact O-N 3.45Å; R694-Q697 PolarHBondContact O-N 3.18Å
695K43.8Very low43Very low163 Ų163137.5 Ų137.571%0.70969%0.688SS**Hα-helixtrans-61.2-16.4-177.4-110.1-176.5178.2-179.10115.5
696H45.1Very low43.4Very low136 Ų136139 Ų13963%0.6369%0.688SS**Hα-helixtrans-82.7-25.8177.3-166.663.8000112.8R694R694-H696 PolarHBondContact O-N 3.45Å
697Q45.4Very low43.6Very low135 Ų135141.2 Ų141.263%0.63169%0.688SS**Hα-helixtrans-86.7-32.4-175.8-65.7-178-53.100112.6R694 L699 Q700R694-Q697 PolarHBondContact O-N 3.18Å; Q697-L699 VanDerWaalsContact C-N 3.28Å; Q697-L699 PolarHBondContact O-N 3.22Å; Q697-Q700 PolarHBondContact O-N 3.45Å; Q697-Q700 VanDerWaalsContact O-N 3.16Å
698E44.6Very low43.6Very low130 Ų130134.8 Ų134.861%0.60766%0.663SS**Hα-helixtrans-60.3-35.8179.3-65.3172.8144.400112.6Q700 A701E698-Q700 VanDerWaalsContact C-N 3.32Å; E698-Q700 PolarHBondContact O-N 3.25Å; E698-A701 PolarHBondContact O-N 3.23Å
699L44.9Very low43.3Very low139 Ų139135.4 Ų135.473%0.72867%0.667SS**Hα-helixtrans-72.1-19.9178.9-76.5168.1000114.3Q697Q697-L699 VanDerWaalsContact C-N 3.28Å; Q697-L699 PolarHBondContact O-N 3.22Å
700Q44.5Very low43.3Very low121 Ų121138 Ų13857%0.56566%0.662SS**Hα-helixtrans-87-19.9176-71.3-173.9-24.800112.9Q697 E698Q697-Q700 PolarHBondContact O-N 3.45Å; Q697-Q700 VanDerWaalsContact O-N 3.16Å; E698-Q700 VanDerWaalsContact C-N 3.32Å; E698-Q700 PolarHBondContact O-N 3.25Å
701A45.4Very low43.5Very low62 Ų62144.3 Ų144.351%0.51268%0.682SS.*Hα-helixtrans-70.4-48.1-179.700000112.5E698 Q703 M704E698-A701 PolarHBondContact O-N 3.23Å; A701-Q703 PolarHBondContact O-N 3.49Å; A701-M704 PolarHBondContact O-N 3.18Å
702M44.2Very low43.2Very low147 Ų147144.6 Ų144.672%0.72468%0.677SS**THydrogen-bonded Turntrans-61.1-19.2-177.7-70.9-173.5175.100114.1
703Q41.6Very low43.2Very low153 Ų153140.1 Ų140.172%0.71567%0.667SS**THydrogen-bonded Turntrans-79.6-16-176.8-157.3169.418.100113.5A701A701-Q703 PolarHBondContact O-N 3.49Å
704M46Very low43.1Very low153 Ų153135.8 Ų135.875%0.75467%0.665SS**THydrogen-bonded Turntrans-98.9-24.1-178.7-77.2-167.2-87.200115.3A701 L706 Q707A701-M704 PolarHBondContact O-N 3.18Å; M704-L706 PolarHBondContact O-N 3.15Å; M704-Q707 PolarHBondContact O-N 3.35Å
705E42.2Very low42.8Very low166 Ų166133 Ų13378%0.77666%0.657SS**G310 helixtrans-66.4-25179-80.7-172.9126.800113.6Q707E705-Q707 PolarHBondContact O-N 3.43Å
706L43.9Very low42.5Very low158 Ų158131.7 Ų131.783%0.82766%0.657SS**G310 helixtrans-75.94.3-178.4-81.8160.2000115.2M704M704-L706 PolarHBondContact O-N 3.15Å
707Q47.4Very low42.3Very low168 Ų168136.8 Ų136.879%0.78567%0.671SS**G310 helixtrans-128.916.3-176.8-60.7-164.5600115.4M704 E705M704-Q707 PolarHBondContact O-N 3.35Å; E705-Q707 PolarHBondContact O-N 3.43Å
708S38.6Very low42.1Very low49 Ų49135 Ų13534%0.34367%0.669SS.*  trans-66142.7178.693.50000112.7E710S708-E710 VanDerWaalsContact C-N 3.28Å; S708-E710 PolarHBondContact O-N 3.48Å
709P41.3Very low41.8Very low98 Ų98132.2 Ų132.264%0.63666%0.664SS**SBendtrans-67-27.3176.7-22.534.5000113.8Y711 K712P709-Y711 PolarHBondContact O-N 3.4Å; P709-K712 WeakPolarHBondContact O-CB 3.4Å; P709-K712 PolarHBondContact O-N 2.74Å; P709-K712 VanDerWaalsContact O-N 3.11Å
710E41.6Very low41.5Very low154 Ų154130.5 Ų130.572%0.7266%0.659SS**G310 helixtrans-72.6-29.8-169.3-64.8173134.800112.2S708 K712 L713S708-E710 VanDerWaalsContact C-N 3.28Å; S708-E710 PolarHBondContact O-N 3.48Å; E710-K712 PolarHBondContact O-N 2.77Å; E710-L713 PolarHBondContact O-N 2.83Å; E710-L713 VanDerWaalsContact O-N 3.1Å
711Y44.3Very low41.5Very low195 Ų195128.8 Ų128.877%0.76565%0.653SS**G310 helixtrans-59-26.3170.9-172.7-103.9000112.9P709 S714P709-Y711 PolarHBondContact O-N 3.4Å; Y711-S714 PolarHBondContact O-OG 2.76Å; Y711-S714 VanDerWaalsContact O-OG 3.1Å
712K37.5Very low41.3Very low157 Ų157127.1 Ų127.168%0.68364%0.635SS**G310 helixtrans-82.8-18.5178.7-61.1-179.4179.81760113.5P709 E710P709-K712 WeakPolarHBondContact O-CB 3.4Å; P709-K712 PolarHBondContact O-N 2.74Å; P709-K712 VanDerWaalsContact O-N 3.11Å; E710-K712 PolarHBondContact O-N 2.77Å
713L39Very low41.2Very low120 Ų120122.5 Ų122.563%0.62862%0.615SS**THydrogen-bonded Turntrans-84.4-20.3-178.4-90.9157.3000113.6E710 L716E710-L713 PolarHBondContact O-N 2.83Å; E710-L713 VanDerWaalsContact O-N 3.1Å; L713-L716 HydrophobicContact CD2-CD1 4.09Å; L713-L716 PolarHBondContact O-N 2.91Å
714S39.5Very low40.9Very low90 Ų90120.2 Ų120.263%0.62961%0.608SS**THydrogen-bonded Turntrans-69.8-30177.962.50000113.7Y711 L716Y711-S714 PolarHBondContact O-OG 2.76Å; Y711-S714 VanDerWaalsContact O-OG 3.1Å; S714-L716 VanDerWaalsContact C-N 3.28Å; S714-L716 PolarHBondContact O-N 3.44Å
715K37.7Very low40.9Very low100 Ų100121.3 Ų121.344%0.43561%0.605SS.*THydrogen-bonded Turntrans-68.2-21.1176.8-91.8-166.4165.9-168.90114.4R717 T723 D724K715-R717 PolarHBondContact O-N 3.25Å; K715-T723 WeakPolarHBondContact CE-OG1 3.35Å; K715-T723 PolarHBondContact NZ-O 3.18Å; K715-T723 PolarHBondContact NZ-OG1 3.29Å; K715-D724 IonicContact NZ-OD1 2.73Å; K715-D724 PolarHBondContact NZ-OD1 3.22Å
716L37.8Very low40.8Very low134 Ų134116.6 Ų116.670%0.70259%0.585SS**THydrogen-bonded Turntrans-7720.4-164.4-97.8159.1000116.3L713 S714L713-L716 HydrophobicContact CD2-CD1 4.09Å; L713-L716 PolarHBondContact O-N 2.91Å; S714-L716 VanDerWaalsContact C-N 3.28Å; S714-L716 PolarHBondContact O-N 3.44Å
717R41.5Very low41.4Very low244 Ų244110.1 Ų110.192%0.92155%0.553SS**THydrogen-bonded Turntrans-135.24.7179.2-73.7-170.4173.7175.6-1.1116.2K715K715-R717 PolarHBondContact O-N 3.25Å
718T40.3Very low42Very low96 Ų96106.4 Ų106.459%0.58954%0.538SS*.SBendtrans-133.1148.7173-47.70000109.1T720T718-T720 PolarHBondContact O-N 3.24Å
719S38.3Very low43.1Very low72 Ų72104.3 Ų104.350%0.50352%0.523SS..  trans-51.4124.7-165.4-170.70000114.4I721 M722S719-I721 VanDerWaalsContact C-N 3.35Å; S719-I721 PolarHBondContact O-N 2.93Å; S719-M722 PolarHBondContact O-N 2.84Å
720T39.6Very low44.1Very low103 Ų103102.4 Ų102.463%0.63251%0.511SS*.SBendtrans-56.3-41.2-165.7-42.60000114T718 T723T718-T720 PolarHBondContact O-N 3.24Å; T720-T723 PolarHBondContact O-N 3.48Å; T720-T723 PolarHBondContact O-OG1 3.18Å
721I43.4Very low45.1Very low86 Ų8696.1 Ų96.144%0.44148%0.481SS..Hα-helixtrans-65.5-44.8-171.6-59.1176.2000111.7S719 T723 D724S719-I721 VanDerWaalsContact C-N 3.35Å; S719-I721 PolarHBondContact O-N 2.93Å; I721-T723 PolarHBondContact O-N 2.94Å; I721-D724 PolarHBondContact O-N 3.08Å
722M41.8Very low46Very low27 Ų2790.2 Ų90.213%0.13347%0.472CS..Hα-helixtrans-71.3-12.8-174.8-74.7-83.7141.900114.3S719 I738 E794 L798S719-M722 PolarHBondContact O-N 2.84Å; M722-I738 HydrophobicContact CB-CD1 4.43Å; M722-I738 HydrophobicContact SD-CD1 3.89Å; M722-E794 HydrophobicContact CE-CB 3.73Å; M722-E794 WeakPolarHBondContact CE-OE2 3.49Å; M722-L798 HydrophobicContact SD-CD2 3.96Å
723T41.8Very low47.2Very low49 Ų4986.8 Ų86.830%0.30148%0.482SS..Hα-helixtrans-101.3-9.1-178.371.90000114.1K715 T720 I721K715-T723 WeakPolarHBondContact CE-OG1 3.35Å; K715-T723 PolarHBondContact NZ-O 3.18Å; K715-T723 PolarHBondContact NZ-OG1 3.29Å; T720-T723 PolarHBondContact O-N 3.48Å; T720-T723 PolarHBondContact O-OG1 3.18Å; I721-T723 PolarHBondContact O-N 2.94Å
724D35.1Very low48.7Very low105 Ų10588.5 Ų88.556%0.56148%0.484SS*.Hα-helixtrans-99-32.3-178.5-73.84.8000111.4K715 I721K715-D724 IonicContact NZ-OD1 2.73Å; K715-D724 PolarHBondContact NZ-OD1 3.22Å; I721-D724 PolarHBondContact O-N 3.08Å
725Y45.9Very low50.3Low176 Ų17688.2 Ų88.269%0.6948%0.479SS*.  trans-109.797160.7-82.8-97.6000110.1P727Y725-P727 WeakPolarHBondContact O-CD 3.21Å
726N40.7Very low52Low67 Ų6784 Ų8436%0.35846%0.462SS..  trans-97.297.8164.2-1728000108.8N728 S737 I738N726-N728 PolarHBondContact O-N 3.41Å; N726-S737 VanDerWaalsContact ND2-CB 3.33Å; N726-S737 WeakPolarHBondContact ND2-CB 3.27Å; N726-S737 PolarHBondContact ND2-OG 2.72Å; N726-S737 WeakPolarHBondContact OD1-CB 3.24Å; N726-I738 PolarHBondContact OD1-N 3.22Å
727P56.4Low53.9Low23 Ų2378.3 Ų78.315%0.14943%0.433CS..  trans-7391.2-179.330.6-35.3000110.3Y725 Y729 L798 M799 L802Y725-P727 WeakPolarHBondContact O-CD 3.21Å; P727-Y729 PolarHBondContact O-N 2.98Å; P727-L798 HydrophobicContact CG-CD2 3.73Å; P727-L798 HydrophobicContact CG-CG 4.33Å; P727-M799 HydrophobicContact CB-SD 3.95Å; P727-M799 HydrophobicContact CG-SD 4.18Å; P727-L802 HydrophobicContact CG-CD1 4.2Å
728N60.2Low55.6Low89 Ų8969 Ų6948%0.47640%0.401SS..  trans-51.9110.1168.4-79.8-12.3000109.9N726 T735N726-N728 PolarHBondContact O-N 3.41Å; N728-T735 HydrophobicContact CB-CG2 3.74Å
729Y60.6Low57.3Low6 Ų668.4 Ų68.42%0.02440%0.401CS..EExtended strand (participates in β ladder)trans-99.1116.5177.1174-125.3000108.9P727 F731 T735 S736 M799 L802 I803 K806 F878P727-Y729 PolarHBondContact O-N 2.98Å; Y729-F731 HydrophobicContact CE1-CB 3.84Å; Y729-T735 CarbonylContact O-C 3.29Å; Y729-S736 PolarHBondContact N-O 3.18Å; Y729-S736 PolarHBondContact O-N 2.67Å; Y729-M799 HydrophobicContact CD2-CE 3.76Å; Y729-M799 HydrophobicContact CE2-CE 4.45Å; Y729-M799 HydrophobicContact CG-CE 3.97Å; Y729-L802 HydrophobicContact CD1-CB 4.05Å; Y729-L802 HydrophobicContact CG-CB 4.38Å; Y729-I803 HydrophobicContact CE1-CB 4.49Å; Y729-I803 HydrophobicContact CE1-CG1 4.02Å; Y729-I803 HydrophobicContact CE2-CG1 4.03Å; Y729-K806 HydrophobicContact CD1-CG 4.19Å; Y729-K806 HydrophobicContact CE1-CG 3.85Å; Y729-F878 VanDerWaalsContact OH-CE2 3.23Å; Y729-F878 WeakPolarHBondContact OH-CE2 3.31Å
730C62.5Low59.5Low58 Ų5868.9 Ų68.939%0.39240%0.398SS..EExtended strand (participates in β ladder)trans-90.6134.5174.2-63.10000109.8K734C730-K734 WeakPolarHBondContact CA-O 3.49Å
731F64.1Low61.8Low22 Ų2264.7 Ų64.710%0.09637%0.372CS..EExtended strand (participates in β ladder)trans-146.5134.6172.8179.3-105.9000110Y729 G733 K734 K806 F807 N876 F878Y729-F731 HydrophobicContact CE1-CB 3.84Å; F731-G733 PolarHBondContact O-N 3.09Å; F731-G733 VanDerWaalsContact O-N 3.13Å; F731-K734 PolarHBondContact N-O 3.26Å; F731-K734 PolarHBondContact O-N 2.84Å; F731-K806 HydrophobicContact CB-CB 4.38Å; F731-K806 HydrophobicContact CB-CG 4.27Å; F731-K806 HydrophobicContact CD1-CB 3.57Å; F731-K806 HydrophobicContact CD1-CG 4.28Å; F731-K806 HydrophobicContact CE1-CB 4.04Å; F731-K806 HydrophobicContact CG-CB 4.07Å; F731-K806 HydrophobicContact CG-CG 4.49Å; F731-F807 HydrophobicContact CD2-CE1 4.36Å; F731-F807 HydrophobicContact CE1-CD1 4.38Å; F731-F807 HydrophobicContact CE1-CE1 4.45Å; F731-F807 HydrophobicContact CE2-CD1 4.25Å; F731-F807 AromaticContact CE2-CE1 3.57Å; F731-F807 HydrophobicContact CE2-CE1 3.57Å; F731-F807 AromaticContact CZ-CD1 3.8Å; F731-F807 HydrophobicContact CZ-CD1 3.8Å; F731-F807 AromaticContact CZ-CE1 3.6Å; F731-F807 HydrophobicContact CZ-CE1 3.6Å; F731-N876 HydrophobicContact CE2-CB 3.83Å; F731-N876 HydrophobicContact CZ-CB 3.55Å; F731-F878 HydrophobicContact CE2-CB 4.34Å
732A62.6Low64.2Low70 Ų7065.5 Ų65.558%0.57937%0.372SS*.THydrogen-bonded Turntrans46.342.5-176.700000113.7K734A732-K734 PolarHBondContact O-N 3.28Å
733G63.5Low66.6Low85 Ų8566.8 Ų66.888%0.87638%0.378SS*.THydrogen-bonded Turntrans74.20.3-178.400000116F731F731-G733 PolarHBondContact O-N 3.09Å; F731-G733 VanDerWaalsContact O-N 3.13Å
734K70.4Confident69Low156 Ų15664.8 Ų64.868%0.67837%0.365SS*.EExtended strand (participates in β ladder)trans-105.4122178.5-64175.2-176.8173.30110.4C730 F731 A732C730-K734 WeakPolarHBondContact CA-O 3.49Å; F731-K734 PolarHBondContact N-O 3.26Å; F731-K734 PolarHBondContact O-N 2.84Å; A732-K734 PolarHBondContact O-N 3.28Å
735T72.5Confident71.8Confident84 Ų8463 Ų6352%0.51536%0.36SS..EExtended strand (participates in β ladder)trans-69.4140.9166.4-48.10000109.5N728 Y729N728-T735 HydrophobicContact CB-CG2 3.74Å; Y729-T735 CarbonylContact O-C 3.29Å
736S73.8Confident74Confident13 Ų1357.2 Ų57.29%0.09134%0.337CS..EExtended strand (participates in β ladder)trans-137.6149.8170.6-69.90000110.8Y729 D740 K806Y729-S736 PolarHBondContact N-O 3.18Å; Y729-S736 PolarHBondContact O-N 2.67Å; S736-D740 WeakPolarHBondContact CA-OD2 3.27Å; S736-D740 WeakPolarHBondContact CB-OD2 3.21Å; S736-K806 VanDerWaalsContact CB-NZ 3.28Å; S736-K806 WeakPolarHBondContact OG-CE 3.42Å; S736-K806 PolarHBondContact OG-NZ 2.83Å
737S76.8Confident76.5Confident13 Ų1363 Ų639%0.09136%0.359CS..  trans-130.8176.4-177.7111.80000110.9N726 S739 D740N726-S737 VanDerWaalsContact ND2-CB 3.33Å; N726-S737 WeakPolarHBondContact ND2-CB 3.27Å; N726-S737 PolarHBondContact ND2-OG 2.72Å; N726-S737 WeakPolarHBondContact OD1-CB 3.24Å; S737-S739 PolarHBondContact O-N 2.76Å; S737-S739 PolarHBondContact OG-N 3.09Å; S737-S739 PolarHBondContact OG-OG 3.38Å; S737-D740 PolarHBondContact N-OD2 3.46Å; S737-D740 PolarHBondContact O-N 3.27Å
738I76.9Confident78.3Confident49 Ų4963.7 Ų63.725%0.25136%0.361SS..G310 helixtrans-53.9-25.5176.1-166.9169.4000113.2M722 N726 D740 L741 L798 L820M722-I738 HydrophobicContact CB-CD1 4.43Å; M722-I738 HydrophobicContact SD-CD1 3.89Å; N726-I738 PolarHBondContact OD1-N 3.22Å; I738-D740 PolarHBondContact O-N 3.42Å; I738-L741 HydrophobicContact CG1-CD1 4.41Å; I738-L741 PolarHBondContact O-N 2.99Å; I738-L798 HydrophobicContact CB-CD1 4.26Å; I738-L798 HydrophobicContact CD1-CD1 3.88Å; I738-L798 HydrophobicContact CD1-CD2 4.27Å; I738-L798 HydrophobicContact CG1-CD1 3.88Å; I738-L820 HydrophobicContact CD1-CD1 4.16Å; I738-L820 HydrophobicContact CG1-CD1 4.24Å
739S77.1Confident80Confident84 Ų8460.2 Ų60.259%0.58734%0.342SS*.G310 helixtrans-58-27172.754.90000114.9S737S737-S739 PolarHBondContact O-N 2.76Å; S737-S739 PolarHBondContact OG-N 3.09Å; S737-S739 PolarHBondContact OG-OG 3.38Å
740D83.9Confident81.6Confident81 Ų8163.8 Ų63.843%0.43337%0.365SS..G310 helixtrans-100.23-169.4-42.1-34.9000111.7S736 S737 I738S736-D740 WeakPolarHBondContact CA-OD2 3.27Å; S736-D740 WeakPolarHBondContact CB-OD2 3.21Å; S737-D740 PolarHBondContact N-OD2 3.46Å; S737-D740 PolarHBondContact O-N 3.27Å; I738-D740 PolarHBondContact O-N 3.42Å
741L88.8Confident83.2Confident16 Ų1664.2 Ų64.28%0.08436%0.363CS..SBendtrans-81.9132.8169.2-66.2178.2000109.5I738 E743 L798 A801 L802 S805 V818 L820I738-L741 HydrophobicContact CG1-CD1 4.41Å; I738-L741 PolarHBondContact O-N 2.99Å; L741-E743 PolarHBondContact O-N 3.45Å; L741-L798 HydrophobicContact CD1-CD1 3.84Å; L741-A801 HydrophobicContact CD1-CB 4.08Å; L741-A801 HydrophobicContact CD2-CB 4.48Å; L741-L802 HydrophobicContact CD1-CD2 4.13Å; L741-L802 HydrophobicContact CD1-CG 4.31Å; L741-L802 HydrophobicContact CD2-CD2 4.1Å; L741-L802 HydrophobicContact CG-CD2 3.96Å; L741-S805 WeakPolarHBondContact CD2-OG 3.43Å; L741-V818 HydrophobicContact CB-CG2 3.78Å; L741-V818 HydrophobicContact CD1-CG1 4.44Å; L741-V818 HydrophobicContact CD1-CG2 4.36Å; L741-L820 HydrophobicContact CD1-CD1 3.83Å
742K91.9Very high84.7Confident103 Ų10367 Ų6745%0.44838%0.378SS..  trans-75.888.9177-177.3-175.1156.6-142.50110.1V744 M771 I816 G817 V818K742-V744 PolarHBondContact O-N 3.42Å; K742-M771 PolarHBondContact NZ-SD 2.71Å; K742-M771 VanDerWaalsContact NZ-SD 3.44Å; K742-I816 WeakPolarHBondContact CD-O 3.44Å; K742-I816 PolarHBondContact NZ-O 3.19Å; K742-G817 CarbonylContact O-C 3.5Å; K742-G817 WeakPolarHBondContact O-CA 3.4Å; K742-V818 PolarHBondContact O-N 3.39Å
743E92.7Very high86.2Confident53 Ų5369.7 Ų69.725%0.24837%0.373CS..BIsolated β-bridgetrans-61.2126.5170.5-174.573.2-172.900110.3L741 V818 S819 L820 Q821L741-E743 PolarHBondContact O-N 3.45Å; E743-V818 CarbonylContact C-O 3.55Å; E743-V818 WeakPolarHBondContact CA-O 3.5Å; E743-S819 VanDerWaalsContact OE1-CA 3.3Å; E743-S819 WeakPolarHBondContact OE1-CA 3.42Å; E743-S819 WeakPolarHBondContact OE2-CA 3.3Å; E743-L820 VanDerWaalsContact CD-N 3.35Å; E743-L820 PolarHBondContact OE1-N 2.92Å; E743-L820 PolarHBondContact OE2-N 2.76Å; E743-Q821 HydrophobicContact CG-CG 4.12Å; E743-Q821 WeakPolarHBondContact OE1-CB 3.41Å; E743-Q821 WeakPolarHBondContact OE1-CG 3.35Å; E743-Q821 PolarHBondContact OE1-N 2.8Å
744V93.3Very high87.5Confident7 Ų768 Ų684%0.04236%0.355CS..PPolyproline II helixtrans-103.7124.8174.3176.50000107.7K742 R746 N748 I749 V768 V818 S819 L828K742-V744 PolarHBondContact O-N 3.42Å; V744-R746 PolarHBondContact O-N 3.28Å; V744-N748 HydrophobicContact CG1-CB 4.35Å; V744-I749 HydrophobicContact CB-CD1 4.25Å; V744-I749 HydrophobicContact CG1-CD1 4.01Å; V744-I749 HydrophobicContact CG1-CG1 3.79Å; V744-V768 HydrophobicContact CG1-CG1 3.81Å; V744-V818 PolarHBondContact N-O 3.02Å; V744-S819 PolarHBondContact O-OG 3.22Å; V744-L828 HydrophobicContact CB-CD1 3.73Å; V744-L828 HydrophobicContact CG1-CD1 4.06Å; V744-L828 HydrophobicContact CG2-CD1 3.7Å
745P92.1Very high88.3Confident69 Ų6964.7 Ų64.745%0.44834%0.344SS..PPolyproline II helixtrans-56.9129.1-179.2-25.934.3000111.7K747 N748P745-K747 HydrophobicContact CB-CG 4.28Å; P745-K747 PolarHBondContact O-N 2.85Å; P745-N748 WeakPolarHBondContact O-CB 3.25Å; P745-N748 PolarHBondContact O-N 3.11Å
746R94Very high88.7Confident54 Ų5462.3 Ų62.320%0.20434%0.337CS..G310 helixtrans-51.2-38.7-173.7-176.45558.5100-2.5114V744 N748 I749 S819 S822 L823 P824 F826V744-R746 PolarHBondContact O-N 3.28Å; R746-N748 PolarHBondContact O-N 3.17Å; R746-I749 PolarHBondContact O-N 2.85Å; R746-S819 PolarHBondContact NE-OG 3.15Å; R746-S819 PolarHBondContact NH2-O 3.05Å; R746-S819 PolarHBondContact NH2-OG 3.08Å; R746-S819 VanDerWaalsContact NH2-OG 3.12Å; R746-S822 PolarHBondContact NH2-O 3.12Å; R746-L823 PolarHBondContact NH1-O 3.3Å; R746-L823 VanDerWaalsContact NH1-O 3.15Å; R746-P824 PolarHBondContact NH1-O 3.17Å; R746-P824 PolarHBondContact NH2-O 2.86Å; R746-F826 VanDerWaalsContact CZ-CD2 3.49Å; R746-F826 VanDerWaalsContact CZ-CE2 3.45Å
747K92.6Very high88.8Confident189 Ų18969.3 Ų69.382%0.82237%0.368SS*.G310 helixtrans-61.4-17.3177.273-174.9-177.3176.50115.1P745P745-K747 HydrophobicContact CB-CG 4.28Å; P745-K747 PolarHBondContact O-N 2.85Å
748N93.7Very high88.2Confident37 Ų3770.2 Ų70.220%0.19838%0.379CS..G310 helixtrans-90.3-7.2177.5-70.550.9000112V744 P745 R746 V768 S769V744-N748 HydrophobicContact CG1-CB 4.35Å; P745-N748 WeakPolarHBondContact O-CB 3.25Å; P745-N748 PolarHBondContact O-N 3.11Å; R746-N748 PolarHBondContact O-N 3.17Å; N748-V768 WeakPolarHBondContact O-CA 3.5Å; N748-S769 WeakPolarHBondContact CB-O 3.39Å; N748-S769 PolarHBondContact ND2-O 3.03Å; N748-S769 PolarHBondContact O-N 2.98Å
749I95.9Very high87.5Confident16 Ų1671.6 Ų71.68%0.08240%0.398CS..EExtended strand (participates in β ladder)trans-106134-175-51.9168.8000108.5V744 R746 Q767 F826 L828V744-I749 HydrophobicContact CB-CD1 4.25Å; V744-I749 HydrophobicContact CG1-CD1 4.01Å; V744-I749 HydrophobicContact CG1-CG1 3.79Å; R746-I749 PolarHBondContact O-N 2.85Å; I749-Q767 WeakPolarHBondContact CA-O 3.3Å; I749-F826 HydrophobicContact CD1-CD2 4.13Å; I749-F826 HydrophobicContact CG2-CD2 4.25Å; I749-F826 HydrophobicContact CG2-CE2 4.29Å; I749-L828 HydrophobicContact CD1-CD1 3.89Å; I749-L828 HydrophobicContact CD1-CD2 4.26Å; I749-L828 HydrophobicContact CG1-CD1 4.29Å; I749-L828 HydrophobicContact CG2-CD2 4.19Å
750T95.3Very high86.7Confident80 Ų8069.1 Ų69.149%0.49138%0.377SS..EExtended strand (participates in β ladder)trans-132.8129.3174.9-58.90000109.6G766 Q767T750-G766 CarbonylContact O-C 3.56Å; T750-G766 WeakPolarHBondContact O-CA 3.43Å; T750-Q767 PolarHBondContact N-O 2.9Å; T750-Q767 PolarHBondContact O-N 3.08Å
751L96.1Very high86.1Confident67 Ų6766 Ų6635%0.35136%0.364SS..EExtended strand (participates in β ladder)trans-84.3143.8173.5-53.8-176.3000109.5Y764 V782 F826L751-Y764 HydrophobicContact CB-CD1 4.31Å; L751-Y764 HydrophobicContact CD1-CD1 4.19Å; L751-Y764 HydrophobicContact CD1-CD2 4.33Å; L751-Y764 HydrophobicContact CD1-CE1 4.42Å; L751-Y764 HydrophobicContact CD1-CG 4.18Å; L751-Y764 HydrophobicContact CD2-CG 4.4Å; L751-V782 HydrophobicContact CD2-CB 3.86Å; L751-V782 HydrophobicContact CD2-CG1 3.87Å; L751-V782 HydrophobicContact CD2-CG2 3.91Å; L751-F826 HydrophobicContact CD1-CZ 4.2Å; L751-F826 HydrophobicContact CD2-CZ 4.31Å
752I94.9Very high86Confident80 Ų8068.7 Ų68.741%0.4138%0.376SS..EExtended strand (participates in β ladder)trans-115.4-54-173.8-62.7171.9000110.9E765 Q767I752-E765 HydrophobicContact CD1-CG 4.47Å; I752-E765 PolarHBondContact N-O 2.9Å; I752-Q767 HydrophobicContact CD1-CB 4.37Å; I752-Q767 HydrophobicContact CD1-CG 3.79Å
753R93.8Very high86Confident128 Ų12865.4 Ų65.448%0.48337%0.365SS..EExtended strand (participates in β ladder)trans-156.9155174.954.7173.3148.860.115.9111.1Y764 E765R753-Y764 CarbonylContact O-C 3.59Å; R753-Y764 VanDerWaalsContact O-CA 3.32Å; R753-Y764 WeakPolarHBondContact O-CA 3.21Å; R753-E765 HydrophobicContact CG-CB 4.32Å; R753-E765 IonicContact CZ-OE2 2.91Å; R753-E765 IonicContact NH1-OE2 2.62Å; R753-E765 PolarHBondContact NH1-OE2 3.47Å; R753-E765 IonicContact NH2-OE1 3.72Å; R753-E765 PolarHBondContact NH2-OE1 3.09Å; R753-E765 IonicContact NH2-OE2 2.77Å; R753-E765 PolarHBondContact NH2-OE2 2.94Å; R753-E765 PolarHBondContact O-N 2.87Å
754G91.3Very high86.1Confident48 Ų4865.5 Ų65.550%0.49536%0.363SS..EExtended strand (participates in β ladder)trans-62.5146.1166.900000111.3
755L86.4Confident86.2Confident87 Ų8765.8 Ų65.846%0.45536%0.364SS..EExtended strand (participates in β ladder)trans-112.3-31.4171.5-65.1175.1000111.4V763 E765 L831L755-V763 WeakPolarHBondContact CA-O 3.46Å; L755-V763 WeakPolarHBondContact CB-O 3.33Å; L755-V763 HydrophobicContact CD1-CG1 4.39Å; L755-V763 PolarHBondContact N-O 3.46Å; L755-E765 HydrophobicContact CD1-CB 4.11Å; L755-E765 HydrophobicContact CD2-CB 4.21Å; L755-E765 HydrophobicContact CG-CB 4.18Å; L755-L831 HydrophobicContact CD1-CD1 3.95Å
756G81.5Confident86.4Confident35 Ų3562.5 Ų62.536%0.36134%0.343SS..EExtended strand (participates in β ladder)trans167.6-166.3178.500000112.9V763G756-V763 PolarHBondContact N-O 3.47Å; G756-V763 PolarHBondContact O-N 2.87Å
757H75.1Confident86.4Confident159 Ų15963 Ų6374%0.73635%0.347SS*.EExtended strand (participates in β ladder)trans-117.3140.5175.5-6270.4000109.3G761H757-G761 CarbonylContact C-O 3.58Å; H757-G761 WeakPolarHBondContact CA-O 3.28Å
758G65.7Low86.5Confident32 Ų3254 Ų5433%0.3331%0.308SS..EExtended strand (participates in β ladder)trans-123.1-174.2175.800000111.8F760 G761G758-F760 PolarHBondContact O-N 3.4Å; G758-G761 PolarHBondContact N-O 2.92Å; G758-G761 PolarHBondContact O-N 2.93Å
759A62.5Low86.3Confident79 Ų7954.7 Ų54.765%0.65332%0.316SS*.THydrogen-bonded Turntrans-57.1-26.2-170.500000116
760F59.7Low85.4Confident31 Ų3157 Ų5714%0.13634%0.343CS..THydrogen-bonded Turntrans-112.3-8.8-175.7-58.9-68.7000114.6G758 L785 P786 D796 F797 E800G758-F760 PolarHBondContact O-N 3.4Å; F760-L785 HydrophobicContact CB-CD1 4.27Å; F760-P786 WeakPolarHBondContact O-CD 3.5Å; F760-D796 HydrophobicContact CE1-CB 3.6Å; F760-D796 HydrophobicContact CZ-CB 3.77Å; F760-F797 HydrophobicContact CB-CD2 4.15Å; F760-F797 HydrophobicContact CD2-CD2 4.28Å; F760-F797 HydrophobicContact CG-CD2 4.3Å; F760-E800 WeakPolarHBondContact CD2-OE2 3.42Å; F760-E800 VanDerWaalsContact CE2-OE2 3.23Å; F760-E800 WeakPolarHBondContact CE2-OE2 3.14Å
761G71.5Confident84.2Confident16 Ų1655.7 Ų55.717%0.16533%0.332CS..EExtended strand (participates in β ladder)trans158.5-147.4-165.900000113H757 G758H757-G761 CarbonylContact C-O 3.58Å; H757-G761 WeakPolarHBondContact CA-O 3.28Å; G758-G761 PolarHBondContact N-O 2.92Å; G758-G761 PolarHBondContact O-N 2.93Å
762E86.8Confident82.6Confident73 Ų7358.2 Ų58.234%0.34135%0.353SS..EExtended strand (participates in β ladder)trans-98.8158.7-175.4-65.5176.6131.400112.1Y764 T784E762-Y764 HydrophobicContact CB-CD2 4.14Å; E762-Y764 HydrophobicContact CB-CE2 3.55Å; E762-Y764 VanDerWaalsContact CD-OH 3.31Å; E762-Y764 HydrophobicContact CG-CE2 4.37Å; E762-Y764 VanDerWaalsContact OE2-CE2 3.23Å; E762-Y764 WeakPolarHBondContact OE2-CE2 3.35Å; E762-Y764 PolarHBondContact OE2-OH 3.19Å; E762-T784 PolarHBondContact N-OG1 3.48Å; E762-T784 PolarHBondContact O-N 2.92Å; E762-T784 PolarHBondContact O-OG1 3.43Å
763V91.4Very high80.9Confident34 Ų3462.1 Ų62.121%0.20637%0.374CS..EExtended strand (participates in β ladder)trans-122.5126.7170.5-172.80000108.3L755 G756 A781 V782 K783L755-V763 WeakPolarHBondContact CA-O 3.46Å; L755-V763 WeakPolarHBondContact CB-O 3.33Å; L755-V763 HydrophobicContact CD1-CG1 4.39Å; L755-V763 PolarHBondContact N-O 3.46Å; G756-V763 PolarHBondContact N-O 3.47Å; G756-V763 PolarHBondContact O-N 2.87Å; V763-A781 HydrophobicContact CG1-CB 4.29Å; V763-V782 WeakPolarHBondContact CA-O 3.33Å; V763-K783 HydrophobicContact CG2-CG 4.3Å
764Y94.3Very high79.4Confident55 Ų5560 Ų6022%0.21637%0.373CS..EExtended strand (participates in β ladder)trans-114.3155.3178.8-70.8-101.6000111.1L751 R753 E762 A781 V782 T784L751-Y764 HydrophobicContact CB-CD1 4.31Å; L751-Y764 HydrophobicContact CD1-CD1 4.19Å; L751-Y764 HydrophobicContact CD1-CD2 4.33Å; L751-Y764 HydrophobicContact CD1-CE1 4.42Å; L751-Y764 HydrophobicContact CD1-CG 4.18Å; L751-Y764 HydrophobicContact CD2-CG 4.4Å; R753-Y764 CarbonylContact O-C 3.59Å; R753-Y764 VanDerWaalsContact O-CA 3.32Å; R753-Y764 WeakPolarHBondContact O-CA 3.21Å; E762-Y764 HydrophobicContact CB-CD2 4.14Å; E762-Y764 HydrophobicContact CB-CE2 3.55Å; E762-Y764 VanDerWaalsContact CD-OH 3.31Å; E762-Y764 HydrophobicContact CG-CE2 4.37Å; E762-Y764 VanDerWaalsContact OE2-CE2 3.23Å; E762-Y764 WeakPolarHBondContact OE2-CE2 3.35Å; E762-Y764 PolarHBondContact OE2-OH 3.19Å; Y764-A781 CarbonylContact O-C 3.57Å; Y764-A781 WeakPolarHBondContact O-CA 3.48Å; Y764-V782 PolarHBondContact N-O 2.7Å; Y764-V782 PolarHBondContact O-N 2.93Å; Y764-T784 HydrophobicContact CD2-CG2 3.73Å; Y764-T784 HydrophobicContact CE2-CG2 3.9Å
765E96.1Very high78.2Confident13 Ų1364.3 Ų64.36%0.06139%0.392CS..EExtended strand (participates in β ladder)trans-79.4139.1154.4-173.1172.1131.600108.5I752 R753 L755 Q779 L831I752-E765 HydrophobicContact CD1-CG 4.47Å; I752-E765 PolarHBondContact N-O 2.9Å; R753-E765 HydrophobicContact CG-CB 4.32Å; R753-E765 IonicContact CZ-OE2 2.91Å; R753-E765 IonicContact NH1-OE2 2.62Å; R753-E765 PolarHBondContact NH1-OE2 3.47Å; R753-E765 IonicContact NH2-OE1 3.72Å; R753-E765 PolarHBondContact NH2-OE1 3.09Å; R753-E765 IonicContact NH2-OE2 2.77Å; R753-E765 PolarHBondContact NH2-OE2 2.94Å; R753-E765 PolarHBondContact O-N 2.87Å; L755-E765 HydrophobicContact CD1-CB 4.11Å; L755-E765 HydrophobicContact CD2-CB 4.21Å; L755-E765 HydrophobicContact CG-CB 4.18Å; E765-Q779 PolarHBondContact OE1-NE2 2.79Å; E765-L831 HydrophobicContact CB-CD1 4.38Å; E765-L831 HydrophobicContact CG-CD1 3.97Å; E765-L831 HydrophobicContact CG-CD2 3.8Å
766G95.7Very high77.9Confident0 Ų063.1 Ų63.10%039%0.391CS..EExtended strand (participates in β ladder)trans-148.6-179.8175.700000113.1T750 Q779 V780T750-G766 CarbonylContact O-C 3.56Å; T750-G766 WeakPolarHBondContact O-CA 3.43Å; G766-Q779 WeakPolarHBondContact O-CA 3.41Å; G766-V780 PolarHBondContact N-O 2.81Å; G766-V780 PolarHBondContact O-N 2.79Å
767Q95.2Very high78.1Confident64 Ų6464.3 Ų64.330%0.29939%0.392SS..EExtended strand (participates in β ladder)trans-128.4144.9176.8-87.7169.420.600111I749 T750 I752 P777 L778 Q779I749-Q767 WeakPolarHBondContact CA-O 3.3Å; T750-Q767 PolarHBondContact N-O 2.9Å; T750-Q767 PolarHBondContact O-N 3.08Å; I752-Q767 HydrophobicContact CD1-CB 4.37Å; I752-Q767 HydrophobicContact CD1-CG 3.79Å; Q767-P777 HydrophobicContact CB-CB 4.09Å; Q767-P777 HydrophobicContact CG-CB 4.04Å; Q767-L778 CarbonylContact C-O 3.57Å; Q767-L778 WeakPolarHBondContact CA-O 3.39Å; Q767-Q779 HydrophobicContact CG-CG 4.19Å
768V94.2Very high78.9Confident1 Ų160.1 Ų60.11%0.00638%0.375CS..EExtended strand (participates in β ladder)trans-117112.3173.2-177.70000109.6V744 N748 M771 L778 V780 L828V744-V768 HydrophobicContact CG1-CG1 3.81Å; N748-V768 WeakPolarHBondContact O-CA 3.5Å; V768-M771 HydrophobicContact CG1-CG 4.05Å; V768-M771 HydrophobicContact CG1-SD 4.33Å; V768-L778 PolarHBondContact N-O 3.47Å; V768-L778 PolarHBondContact O-N 2.9Å; V768-V780 HydrophobicContact CG2-CG1 3.91Å; V768-V780 HydrophobicContact CG2-CG2 3.8Å; V768-L828 HydrophobicContact CG2-CD1 4.05Å
769S89.9Confident80.3Confident51 Ų5163.4 Ų63.436%0.35738%0.382SS..  trans-93.5157.6-179.2-66.20000112.6N748N748-S769 WeakPolarHBondContact CB-O 3.39Å; N748-S769 PolarHBondContact ND2-O 3.03Å; N748-S769 PolarHBondContact O-N 2.98Å
770G75.4Confident81.9Confident64 Ų6459.7 Ų59.766%0.6635%0.351SS*.  trans67.738.2171.200000114.3
771M70.1Confident83.7Confident52 Ų5258.8 Ų58.826%0.25635%0.349SS..BIsolated β-bridgetrans-76.7145.8172.4-76.6-87.2-82.100110.3K742 V768 N773 D774 L778 I816K742-M771 PolarHBondContact NZ-SD 2.71Å; K742-M771 VanDerWaalsContact NZ-SD 3.44Å; V768-M771 HydrophobicContact CG1-CG 4.05Å; V768-M771 HydrophobicContact CG1-SD 4.33Å; M771-N773 PolarHBondContact O-N 2.8Å; M771-D774 PolarHBondContact O-N 3.25Å; M771-L778 HydrophobicContact CE-CD2 3.96Å; M771-I816 HydrophobicContact CE-CG2 4.21Å
772P62.9Low84.8Confident121 Ų12158 Ų5879%0.78634%0.341SS*.THydrogen-bonded Turntrans-63.1-16.6-168.3-26.735.9000116.9
773N59.5Low85.1Confident161 Ų16155.1 Ų55.186%0.86133%0.328SS*.THydrogen-bonded Turntrans-116.3-6.4-169.8-65.814.6000114M771M771-N773 PolarHBondContact O-N 2.8Å
774D62.3Low85.2Confident85 Ų8554 Ų5446%0.45532%0.321SS..BIsolated β-bridgetrans-148.7126.8-175.2-160.4-44.7000110.4M771 S776M771-D774 PolarHBondContact O-N 3.25Å; D774-S776 VanDerWaalsContact C-N 3.28Å; D774-S776 VanDerWaalsContact CG-OG 3.3Å; D774-S776 VanDerWaalsContact OD1-CB 3.29Å; D774-S776 WeakPolarHBondContact OD1-CB 3.26Å; D774-S776 PolarHBondContact OD1-N 3.01Å; D774-S776 PolarHBondContact OD1-OG 3Å
775P65.3Low84.9Confident138 Ų13851.4 Ų51.490%0.89631%0.311SS*.SBendtrans-75.8-13.2176.132.1-36.3000113.7
776S80.1Confident84.3Confident62 Ų6253.4 Ų53.443%0.43433%0.325SS..SBendtrans-82.9149.5177.671.70000112.3D774 L778D774-S776 VanDerWaalsContact C-N 3.28Å; D774-S776 VanDerWaalsContact CG-OG 3.3Å; D774-S776 VanDerWaalsContact OD1-CB 3.29Å; D774-S776 WeakPolarHBondContact OD1-CB 3.26Å; D774-S776 PolarHBondContact OD1-N 3.01Å; D774-S776 PolarHBondContact OD1-OG 3Å; S776-L778 PolarHBondContact O-N 2.88Å
777P86.6Confident83.6Confident59 Ų5959.3 Ų59.338%0.38335%0.352SS..PPolyproline II helixtrans-75119.7179.829.4-33.4000111.1Q767 Q779Q767-P777 HydrophobicContact CB-CB 4.09Å; Q767-P777 HydrophobicContact CG-CB 4.04Å; P777-Q779 PolarHBondContact O-N 3.13Å
778L92.3Very high82.9Confident71 Ų7162.6 Ų62.637%0.37238%0.376SS..EExtended strand (participates in β ladder)trans-72.7118.7179.9177.563.1000110.6Q767 V768 M771 S776 V780 I816Q767-L778 CarbonylContact C-O 3.57Å; Q767-L778 WeakPolarHBondContact CA-O 3.39Å; V768-L778 PolarHBondContact N-O 3.47Å; V768-L778 PolarHBondContact O-N 2.9Å; M771-L778 HydrophobicContact CE-CD2 3.96Å; S776-L778 PolarHBondContact O-N 2.88Å; L778-V780 HydrophobicContact CD2-CG1 4.49Å; L778-V780 HydrophobicContact CG-CG1 4.28Å; L778-I816 HydrophobicContact CD2-CG1 3.91Å; L778-I816 HydrophobicContact CD2-CG2 4.11Å
779Q94.8Very high82Confident102 Ų10264.6 Ų64.648%0.47739%0.39SS..EExtended strand (participates in β ladder)trans-65.6136.2170.5-85-180-65.800111.5E765 G766 Q767 P777 L831E765-Q779 PolarHBondContact OE1-NE2 2.79Å; G766-Q779 WeakPolarHBondContact O-CA 3.41Å; Q767-Q779 HydrophobicContact CG-CG 4.19Å; P777-Q779 PolarHBondContact O-N 3.13Å; Q779-L831 HydrophobicContact CB-CD2 3.85Å; Q779-L831 HydrophobicContact CG-CD2 4.29Å
780V96.3Very high81.2Confident0 Ų064.8 Ų64.80%039%0.392CS..EExtended strand (participates in β ladder)trans-141.8156.5-178.5-670000110.9G766 V768 L778 V782 I816 L828 L829G766-V780 PolarHBondContact N-O 2.81Å; G766-V780 PolarHBondContact O-N 2.79Å; V768-V780 HydrophobicContact CG2-CG1 3.91Å; V768-V780 HydrophobicContact CG2-CG2 3.8Å; L778-V780 HydrophobicContact CD2-CG1 4.49Å; L778-V780 HydrophobicContact CG-CG1 4.28Å; V780-V782 HydrophobicContact CG2-CG2 3.79Å; V780-I816 HydrophobicContact CG1-CB 4.31Å; V780-I816 HydrophobicContact CG1-CD1 3.91Å; V780-I816 HydrophobicContact CG1-CG1 3.86Å; V780-I816 HydrophobicContact CG1-CG2 4.42Å; V780-L828 HydrophobicContact CG2-CD2 4.43Å; V780-L829 CarbonylContact C-O 3.5Å; V780-L829 WeakPolarHBondContact CA-O 3.48Å; V780-L829 WeakPolarHBondContact CB-O 3.46Å
781A96.3Very high81.1Confident13 Ų1368.6 Ų68.611%0.10739%0.392CS..EExtended strand (participates in β ladder)trans-85.3137.9155.700000109.3V763 Y764 L829 L831V763-A781 HydrophobicContact CG1-CB 4.29Å; Y764-A781 CarbonylContact O-C 3.57Å; Y764-A781 WeakPolarHBondContact O-CA 3.48Å; A781-L829 HydrophobicContact CB-CB 4.33Å; A781-L829 PolarHBondContact N-O 3.47Å; A781-L829 PolarHBondContact O-N 2.86Å; A781-L831 HydrophobicContact CB-CD1 4.36Å
782V95.5Very high81Confident0 Ų070.2 Ų70.20%040%0.399CS..EExtended strand (participates in β ladder)trans-117.4105.4179.3-1730000108.7L751 V763 Y764 V780 F826 I827 L828L751-V782 HydrophobicContact CD2-CB 3.86Å; L751-V782 HydrophobicContact CD2-CG1 3.87Å; L751-V782 HydrophobicContact CD2-CG2 3.91Å; V763-V782 WeakPolarHBondContact CA-O 3.33Å; Y764-V782 PolarHBondContact N-O 2.7Å; Y764-V782 PolarHBondContact O-N 2.93Å; V780-V782 HydrophobicContact CG2-CG2 3.79Å; V782-F826 HydrophobicContact CG1-CB 3.77Å; V782-F826 HydrophobicContact CG1-CD1 3.63Å; V782-F826 HydrophobicContact CG1-CD2 3.92Å; V782-F826 HydrophobicContact CG1-CE1 4.16Å; V782-F826 HydrophobicContact CG1-CE2 4.4Å; V782-F826 HydrophobicContact CG1-CG 3.52Å; V782-I827 WeakPolarHBondContact CA-O 3.29Å; V782-L828 HydrophobicContact CB-CD2 4.31Å; V782-L828 HydrophobicContact CG1-CD2 3.93Å; V782-L828 HydrophobicContact CG2-CD2 3.73Å
783K94Very high81.6Confident12 Ų1267.2 Ų67.25%0.05238%0.376CS..EExtended strand (participates in β ladder)trans-82.3127.6172.9-162.5179.2-157.9-179.70108.3V763 F797 E800 F826 I827 D903V763-K783 HydrophobicContact CG2-CG 4.3Å; K783-F797 HydrophobicContact CG-CE2 4.33Å; K783-E800 IonicContact NZ-OE1 2.76Å; K783-E800 PolarHBondContact NZ-OE1 2.84Å; K783-E800 IonicContact NZ-OE2 3.68Å; K783-E800 PolarHBondContact NZ-OE2 3.12Å; K783-F826 WeakPolarHBondContact O-CA 3.39Å; K783-I827 HydrophobicContact CB-CB 4.38Å; K783-I827 PolarHBondContact N-O 3.29Å; K783-I827 PolarHBondContact O-N 3.38Å; K783-D903 IonicContact NZ-OD1 2.76Å; K783-D903 IonicContact NZ-OD2 3.78Å
784T92.1Very high82.4Confident9 Ų960.7 Ų60.76%0.05534%0.341CS..EExtended strand (participates in β ladder)trans-104.1147-17773.40000111.7E762 Y764 R825 F826E762-T784 PolarHBondContact N-OG1 3.48Å; E762-T784 PolarHBondContact O-N 2.92Å; E762-T784 PolarHBondContact O-OG1 3.43Å; Y764-T784 HydrophobicContact CD2-CG2 3.73Å; Y764-T784 HydrophobicContact CE2-CG2 3.9Å; T784-R825 WeakPolarHBondContact CA-O 3.34Å; T784-F826 HydrophobicContact CG2-CD1 3.89Å; T784-F826 HydrophobicContact CG2-CE1 3.72Å
785L88.3Confident83Confident1 Ų158.9 Ų58.91%0.00533%0.331CS..EExtended strand (participates in β ladder)trans-107.4122.2163-175.669.4000108.5F760 C789 D793 E794 F797 P824 R825F760-L785 HydrophobicContact CB-CD1 4.27Å; L785-C789 HydrophobicContact CD1-CB 4.32Å; L785-D793 HydrophobicContact CD1-CB 4.29Å; L785-E794 HydrophobicContact CD2-CB 4.49Å; L785-E794 HydrophobicContact CD2-CG 4.18Å; L785-F797 HydrophobicContact CB-CD1 3.98Å; L785-F797 HydrophobicContact CB-CD2 3.92Å; L785-F797 HydrophobicContact CB-CE1 3.88Å; L785-F797 HydrophobicContact CB-CE2 3.81Å; L785-F797 HydrophobicContact CB-CG 3.99Å; L785-F797 HydrophobicContact CB-CZ 3.78Å; L785-F797 HydrophobicContact CD1-CB 4.06Å; L785-F797 HydrophobicContact CD1-CD2 4.15Å; L785-F797 HydrophobicContact CD1-CG 4.14Å; L785-F797 HydrophobicContact CD2-CB 4.15Å; L785-F797 HydrophobicContact CD2-CD1 4.05Å; L785-F797 HydrophobicContact CD2-CG 4.12Å; L785-F797 HydrophobicContact CG-CD2 4.5Å; L785-F797 HydrophobicContact CG-CG 4.31Å; L785-P824 VanDerWaalsContact O-CB 3.3Å; L785-P824 WeakPolarHBondContact O-CB 3.45Å; L785-R825 HydrophobicContact CB-CB 4.2Å; L785-R825 PolarHBondContact N-O 2.7Å
786P83.9Confident83.5Confident55 Ų5554 Ų5436%0.35730%0.297SS..  trans-54.9146.1175.3-27.635.7000112.7F760 V788 C789F760-P786 WeakPolarHBondContact O-CD 3.5Å; P786-V788 PolarHBondContact O-N 2.92Å; P786-C789 PolarHBondContact O-SG 3.22Å
787E80.7Confident83.7Confident124 Ų12451.1 Ų51.158%0.57928%0.277SS*.SBendtrans-68.8-21.8176.5-56.1-167.5-169.400112.7L823 P824E787-L823 HydrophobicContact CG-CB 4.05Å; E787-P824 HydrophobicContact CG-CB 4.07Å; E787-P824 VanDerWaalsContact OE1-CD 3.32Å; E787-P824 WeakPolarHBondContact OE1-CD 3.25Å
788V79.6Confident83.5Confident133 Ų13348.5 Ų48.581%0.80626%0.259SS*.SBendtrans-105.689171.9-1740000108.3P786P786-V788 PolarHBondContact O-N 2.92Å
789C76.9Confident82.9Confident43 Ų4346.6 Ų46.629%0.29125%0.249SC..  trans-140.1171.8175.161.10000110.4L785 P786 D793L785-C789 HydrophobicContact CD1-CB 4.32Å; P786-C789 PolarHBondContact O-SG 3.22Å; C789-D793 HydrophobicContact CB-CB 3.94Å
790S73.3Confident82.4Confident56 Ų5641.9 Ų41.939%0.39223%0.227SC..  trans-87.9162176.877.50000112.4Q792 D793 E794S790-Q792 PolarHBondContact O-N 3.42Å; S790-Q792 VanDerWaalsContact O-N 3.16Å; S790-Q792 PolarHBondContact OG-N 3.32Å; S790-D793 WeakPolarHBondContact CA-OD2 3.31Å; S790-D793 VanDerWaalsContact CB-OD2 3.23Å; S790-D793 WeakPolarHBondContact CB-OD2 3.48Å; S790-D793 PolarHBondContact N-OD2 3.12Å; S790-D793 WeakPolarHBondContact O-CB 3.21Å; S790-D793 PolarHBondContact O-N 2.91Å; S790-D793 VanDerWaalsContact OG-CG 3.23Å; S790-D793 PolarHBondContact OG-N 3.32Å; S790-D793 PolarHBondContact OG-OD2 3.5Å; S790-E794 PolarHBondContact O-N 3.37Å
791E71.6Confident82Confident143 Ų14341.9 Ų41.967%0.66823%0.227SC*.Hα-helixtrans-56.3-29.9173-62.9179174.700112.4L795E791-L795 WeakPolarHBondContact O-CB 3.39Å; E791-L795 VanDerWaalsContact O-CG 3.28Å; E791-L795 WeakPolarHBondContact O-CG 3.34Å; E791-L795 PolarHBondContact O-N 3.38Å; E791-L795 VanDerWaalsContact O-N 3.09Å
792Q69.8Low81.4Confident87 Ų8741.3 Ų41.341%0.40722%0.222SC..Hα-helixtrans-71.9-34.4175.1-173.565.164.600112S790 L795 D796S790-Q792 PolarHBondContact O-N 3.42Å; S790-Q792 VanDerWaalsContact O-N 3.16Å; S790-Q792 PolarHBondContact OG-N 3.32Å; Q792-L795 PolarHBondContact O-N 3.5Å; Q792-D796 PolarHBondContact NE2-OD1 2.88Å; Q792-D796 WeakPolarHBondContact O-CB 3.26Å; Q792-D796 PolarHBondContact O-N 3.49Å
793D73.8Confident80.9Confident57 Ų5741.8 Ų41.831%0.30522%0.224SC..Hα-helixtrans-72.1-37.9176.7-52-55.5000110.7L785 C789 S790 L795 D796 F797L785-D793 HydrophobicContact CD1-CB 4.29Å; C789-D793 HydrophobicContact CB-CB 3.94Å; S790-D793 WeakPolarHBondContact CA-OD2 3.31Å; S790-D793 VanDerWaalsContact CB-OD2 3.23Å; S790-D793 WeakPolarHBondContact CB-OD2 3.48Å; S790-D793 PolarHBondContact N-OD2 3.12Å; S790-D793 WeakPolarHBondContact O-CB 3.21Å; S790-D793 PolarHBondContact O-N 2.91Å; S790-D793 VanDerWaalsContact OG-CG 3.23Å; S790-D793 PolarHBondContact OG-N 3.32Å; S790-D793 PolarHBondContact OG-OD2 3.5Å; D793-L795 VanDerWaalsContact C-N 3.32Å; D793-L795 PolarHBondContact O-N 3.13Å; D793-D796 PolarHBondContact O-N 2.85Å; D793-F797 WeakPolarHBondContact O-CB 3.46Å; D793-F797 PolarHBondContact O-N 2.94Å
794E77.4Confident80.6Confident25 Ų2541.2 Ų41.212%0.11722%0.222CC..Hα-helixtrans-59.1-42.8170.3-63.7-150.6163.200111.9M722 L785 S790 L798 R825M722-E794 HydrophobicContact CE-CB 3.73Å; M722-E794 WeakPolarHBondContact CE-OE2 3.49Å; L785-E794 HydrophobicContact CD2-CB 4.49Å; L785-E794 HydrophobicContact CD2-CG 4.18Å; S790-E794 PolarHBondContact O-N 3.37Å; E794-L798 VanDerWaalsContact O-CB 3.32Å; E794-L798 WeakPolarHBondContact O-CB 3.28Å; E794-L798 PolarHBondContact O-N 3.18Å; E794-R825 VanDerWaalsContact CD-CZ 3.47Å; E794-R825 VanDerWaalsContact CD-NH1 3.25Å; E794-R825 IonicContact OE1-CZ 3.76Å; E794-R825 IonicContact OE1-NH1 4Å; E794-R825 PolarHBondContact OE1-NH1 2.95Å; E794-R825 IonicContact OE1-NH2 3Å; E794-R825 PolarHBondContact OE1-NH2 2.99Å; E794-R825 IonicContact OE2-CZ 2.66Å; E794-R825 IonicContact OE2-NH1 3.79Å; E794-R825 IonicContact OE2-NH2 2.63Å; E794-R825 PolarHBondContact OE2-NH2 3.31Å
795L75.6Confident80.4Confident47 Ų4742.6 Ų42.625%0.24623%0.232CC..Hα-helixtrans-71.8-41.7179-74.3171.1000112.8E791 Q792 D793 L798 M799E791-L795 WeakPolarHBondContact O-CB 3.39Å; E791-L795 VanDerWaalsContact O-CG 3.28Å; E791-L795 WeakPolarHBondContact O-CG 3.34Å; E791-L795 PolarHBondContact O-N 3.38Å; E791-L795 VanDerWaalsContact O-N 3.09Å; Q792-L795 PolarHBondContact O-N 3.5Å; D793-L795 VanDerWaalsContact C-N 3.32Å; D793-L795 PolarHBondContact O-N 3.13Å; L795-L798 PolarHBondContact O-N 3.01Å; L795-M799 WeakPolarHBondContact O-CB 3.3Å; L795-M799 VanDerWaalsContact O-CG 3.32Å; L795-M799 WeakPolarHBondContact O-CG 3.39Å; L795-M799 PolarHBondContact O-N 2.74Å
796D74.6Confident80.3Confident35 Ų3544.9 Ų44.919%0.18724%0.242CC..Hα-helixtrans-68.2-37.6178.4-77.91.8000110.5F760 Q792 D793 M799 E800F760-D796 HydrophobicContact CE1-CB 3.6Å; F760-D796 HydrophobicContact CZ-CB 3.77Å; Q792-D796 PolarHBondContact NE2-OD1 2.88Å; Q792-D796 WeakPolarHBondContact O-CB 3.26Å; Q792-D796 PolarHBondContact O-N 3.49Å; D793-D796 PolarHBondContact O-N 2.85Å; D796-M799 PolarHBondContact O-N 2.68Å; D796-E800 PolarHBondContact O-N 2.88Å
797F83.6Confident80.5Confident2 Ų242.9 Ų42.91%0.00923%0.228CC..Hα-helixtrans-67.6-41.9173.1-171.6-96.3000112.7F760 K783 L785 D793 M799 E800 A801 L820 R825 I827F760-F797 HydrophobicContact CB-CD2 4.15Å; F760-F797 HydrophobicContact CD2-CD2 4.28Å; F760-F797 HydrophobicContact CG-CD2 4.3Å; K783-F797 HydrophobicContact CG-CE2 4.33Å; L785-F797 HydrophobicContact CB-CD1 3.98Å; L785-F797 HydrophobicContact CB-CD2 3.92Å; L785-F797 HydrophobicContact CB-CE1 3.88Å; L785-F797 HydrophobicContact CB-CE2 3.81Å; L785-F797 HydrophobicContact CB-CG 3.99Å; L785-F797 HydrophobicContact CB-CZ 3.78Å; L785-F797 HydrophobicContact CD1-CB 4.06Å; L785-F797 HydrophobicContact CD1-CD2 4.15Å; L785-F797 HydrophobicContact CD1-CG 4.14Å; L785-F797 HydrophobicContact CD2-CB 4.15Å; L785-F797 HydrophobicContact CD2-CD1 4.05Å; L785-F797 HydrophobicContact CD2-CG 4.12Å; L785-F797 HydrophobicContact CG-CD2 4.5Å; L785-F797 HydrophobicContact CG-CG 4.31Å; D793-F797 WeakPolarHBondContact O-CB 3.46Å; D793-F797 PolarHBondContact O-N 2.94Å; F797-M799 VanDerWaalsContact C-N 3.33Å; F797-E800 PolarHBondContact O-N 3.1Å; F797-A801 PolarHBondContact O-N 3.24Å; F797-L820 HydrophobicContact CD1-CD2 4.48Å; F797-L820 HydrophobicContact CE1-CD2 4.09Å; F797-R825 HydrophobicContact CE1-CB 3.95Å; F797-I827 HydrophobicContact CD1-CD1 4.16Å; F797-I827 HydrophobicContact CD1-CG1 4.34Å; F797-I827 HydrophobicContact CD2-CD1 4.03Å; F797-I827 HydrophobicContact CE1-CD1 3.96Å; F797-I827 HydrophobicContact CE1-CG1 3.72Å; F797-I827 HydrophobicContact CE2-CD1 3.83Å; F797-I827 HydrophobicContact CE2-CG1 4.16Å; F797-I827 HydrophobicContact CG-CD1 4.21Å; F797-I827 HydrophobicContact CZ-CB 4.44Å; F797-I827 HydrophobicContact CZ-CD1 3.81Å; F797-I827 HydrophobicContact CZ-CG1 3.63Å
798L82.7Confident80.9Confident3 Ų342.2 Ų42.22%0.01623%0.228CC..Hα-helixtrans-62.8-39.9171.8174.961.5000111.4M722 P727 I738 L741 E794 L795 A801 L802 L820M722-L798 HydrophobicContact SD-CD2 3.96Å; P727-L798 HydrophobicContact CG-CD2 3.73Å; P727-L798 HydrophobicContact CG-CG 4.33Å; I738-L798 HydrophobicContact CB-CD1 4.26Å; I738-L798 HydrophobicContact CD1-CD1 3.88Å; I738-L798 HydrophobicContact CD1-CD2 4.27Å; I738-L798 HydrophobicContact CG1-CD1 3.88Å; L741-L798 HydrophobicContact CD1-CD1 3.84Å; E794-L798 VanDerWaalsContact O-CB 3.32Å; E794-L798 WeakPolarHBondContact O-CB 3.28Å; E794-L798 PolarHBondContact O-N 3.18Å; L795-L798 PolarHBondContact O-N 3.01Å; L798-A801 WeakPolarHBondContact O-CB 3.24Å; L798-A801 PolarHBondContact O-N 3.22Å; L798-L802 HydrophobicContact CD1-CD1 4.25Å; L798-L802 HydrophobicContact CD1-CG 4.3Å; L798-L802 HydrophobicContact CG-CD1 4.07Å; L798-L802 WeakPolarHBondContact O-CB 3.28Å; L798-L802 WeakPolarHBondContact O-CG 3.14Å; L798-L802 PolarHBondContact O-N 3.18Å; L798-L820 HydrophobicContact CD1-CD1 3.91Å
799M80Confident81.7Confident32 Ų3238.3 Ų38.316%0.15820%0.201CC..Hα-helixtrans-66.5-40.7176.5-80.8-58.8-34.300112.2P727 Y729 L795 D796 F797 L802 I803P727-M799 HydrophobicContact CB-SD 3.95Å; P727-M799 HydrophobicContact CG-SD 4.18Å; Y729-M799 HydrophobicContact CD2-CE 3.76Å; Y729-M799 HydrophobicContact CE2-CE 4.45Å; Y729-M799 HydrophobicContact CG-CE 3.97Å; L795-M799 WeakPolarHBondContact O-CB 3.3Å; L795-M799 VanDerWaalsContact O-CG 3.32Å; L795-M799 WeakPolarHBondContact O-CG 3.39Å; L795-M799 PolarHBondContact O-N 2.74Å; D796-M799 PolarHBondContact O-N 2.68Å; F797-M799 VanDerWaalsContact C-N 3.33Å; M799-L802 PolarHBondContact O-N 2.91Å; M799-L802 HydrophobicContact SD-CD1 4.21Å; M799-I803 HydrophobicContact CE-CD1 4.05Å; M799-I803 HydrophobicContact CE-CG1 4.12Å; M799-I803 WeakPolarHBondContact O-CB 3.3Å; M799-I803 WeakPolarHBondContact O-CD1 3.32Å; M799-I803 WeakPolarHBondContact O-CG1 3.46Å; M799-I803 PolarHBondContact O-N 3.44Å
800E84.9Confident82.6Confident3 Ų342.7 Ų42.71%0.01422%0.217CC..Hα-helixtrans-58.1-48.8172.2-173-172.5167.100110.6F760 K783 D796 F797 L802 I803 I804 I827F760-E800 WeakPolarHBondContact CD2-OE2 3.42Å; F760-E800 VanDerWaalsContact CE2-OE2 3.23Å; F760-E800 WeakPolarHBondContact CE2-OE2 3.14Å; K783-E800 IonicContact NZ-OE1 2.76Å; K783-E800 PolarHBondContact NZ-OE1 2.84Å; K783-E800 IonicContact NZ-OE2 3.68Å; K783-E800 PolarHBondContact NZ-OE2 3.12Å; D796-E800 PolarHBondContact O-N 2.88Å; F797-E800 PolarHBondContact O-N 3.1Å; E800-L802 VanDerWaalsContact C-N 3.35Å; E800-L802 PolarHBondContact O-N 2.77Å; E800-I803 PolarHBondContact O-N 3.33Å; E800-I804 VanDerWaalsContact O-CG2 3.29Å; E800-I804 WeakPolarHBondContact O-CG2 3.37Å; E800-I804 PolarHBondContact O-N 2.65Å; E800-I827 HydrophobicContact CB-CD1 4.44Å
801A87.4Confident83.8Confident0 Ų040 Ų400%020%0.199CC..Hα-helixtrans-57.5-45.6177.300000112.3L741 F797 L798 S805 V818 I827L741-A801 HydrophobicContact CD1-CB 4.08Å; L741-A801 HydrophobicContact CD2-CB 4.48Å; F797-A801 PolarHBondContact O-N 3.24Å; L798-A801 WeakPolarHBondContact O-CB 3.24Å; L798-A801 PolarHBondContact O-N 3.22Å; A801-S805 WeakPolarHBondContact O-CB 3.08Å; A801-S805 PolarHBondContact O-N 2.94Å; A801-S805 PolarHBondContact O-OG 3.43Å; A801-V818 HydrophobicContact CB-CG1 3.98Å; A801-I827 HydrophobicContact CB-CD1 3.82Å; A801-I827 HydrophobicContact CB-CG1 3.93Å
802L84.9Confident85Confident0 Ų033.4 Ų33.40%017%0.168CC..Hα-helixtrans-61.2-47.7175.7-74.6168.3000111.3P727 Y729 L741 L798 M799 E800 S805 K806P727-L802 HydrophobicContact CG-CD1 4.2Å; Y729-L802 HydrophobicContact CD1-CB 4.05Å; Y729-L802 HydrophobicContact CG-CB 4.38Å; L741-L802 HydrophobicContact CD1-CD2 4.13Å; L741-L802 HydrophobicContact CD1-CG 4.31Å; L741-L802 HydrophobicContact CD2-CD2 4.1Å; L741-L802 HydrophobicContact CG-CD2 3.96Å; L798-L802 HydrophobicContact CD1-CD1 4.25Å; L798-L802 HydrophobicContact CD1-CG 4.3Å; L798-L802 HydrophobicContact CG-CD1 4.07Å; L798-L802 WeakPolarHBondContact O-CB 3.28Å; L798-L802 WeakPolarHBondContact O-CG 3.14Å; L798-L802 PolarHBondContact O-N 3.18Å; M799-L802 PolarHBondContact O-N 2.91Å; M799-L802 HydrophobicContact SD-CD1 4.21Å; E800-L802 VanDerWaalsContact C-N 3.35Å; E800-L802 PolarHBondContact O-N 2.77Å; L802-S805 PolarHBondContact O-OG 3.24Å; L802-K806 WeakPolarHBondContact O-CG 3.21Å
803I83.9Confident86.2Confident10 Ų1029.4 Ų29.45%0.05115%0.149CC..Hα-helixtrans-59.4-58.9178.9-73.9163.4000111Y729 M799 E800 S805 K806 F807 F878 F904Y729-I803 HydrophobicContact CE1-CB 4.49Å; Y729-I803 HydrophobicContact CE1-CG1 4.02Å; Y729-I803 HydrophobicContact CE2-CG1 4.03Å; M799-I803 HydrophobicContact CE-CD1 4.05Å; M799-I803 HydrophobicContact CE-CG1 4.12Å; M799-I803 WeakPolarHBondContact O-CB 3.3Å; M799-I803 WeakPolarHBondContact O-CD1 3.32Å; M799-I803 WeakPolarHBondContact O-CG1 3.46Å; M799-I803 PolarHBondContact O-N 3.44Å; E800-I803 PolarHBondContact O-N 3.33Å; I803-S805 PolarHBondContact O-N 3.26Å; I803-K806 PolarHBondContact O-N 3.3Å; I803-F807 HydrophobicContact CG2-CD2 4.45Å; I803-F807 HydrophobicContact CG2-CE2 3.45Å; I803-F807 VanDerWaalsContact CG2-CE2 3.45Å; I803-F807 HydrophobicContact CG2-CZ 3.85Å; I803-F878 HydrophobicContact CD1-CZ 4.24Å; I803-F878 HydrophobicContact CG1-CE2 4.4Å; I803-F878 HydrophobicContact CG1-CZ 4.25Å; I803-F878 HydrophobicContact CG2-CE1 4.18Å; I803-F878 HydrophobicContact CG2-CE2 4.29Å; I803-F878 HydrophobicContact CG2-CZ 3.57Å; I803-F904 HydrophobicContact CG2-CB 4.03Å; I803-F904 HydrophobicContact CG2-CD1 4.17Å; I803-F904 HydrophobicContact CG2-CG 4.26Å
804I87.5Confident87.2Confident1 Ų133.5 Ų33.51%0.00516%0.16CC..Hα-helixtrans-69.4-19.8-174.1-158.9165.4000113E800 K806 C815 L829 F904E800-I804 VanDerWaalsContact O-CG2 3.29Å; E800-I804 WeakPolarHBondContact O-CG2 3.37Å; E800-I804 PolarHBondContact O-N 2.65Å; I804-K806 VanDerWaalsContact C-N 3.33Å; I804-K806 PolarHBondContact O-N 3.29Å; I804-C815 HydrophobicContact CG2-CB 4.17Å; I804-L829 HydrophobicContact CD1-CD1 4.33Å; I804-L829 HydrophobicContact CD1-CD2 3.76Å; I804-L829 HydrophobicContact CG1-CD2 4.42Å; I804-L829 HydrophobicContact CG2-CD2 4.17Å; I804-F904 HydrophobicContact CD1-CD2 3.9Å; I804-F904 HydrophobicContact CD1-CE2 4.14Å; I804-F904 HydrophobicContact CG1-CD2 4.21Å; I804-F904 HydrophobicContact CG1-CE2 4.32Å
805S89Confident88Confident38 Ų3833.3 Ų33.327%0.26616%0.162SC..THydrogen-bonded Turntrans-73.3-16.3172.175.10000115L741 A801 L802 I803L741-S805 WeakPolarHBondContact CD2-OG 3.43Å; A801-S805 WeakPolarHBondContact O-CB 3.08Å; A801-S805 PolarHBondContact O-N 2.94Å; A801-S805 PolarHBondContact O-OG 3.43Å; L802-S805 PolarHBondContact O-OG 3.24Å; I803-S805 PolarHBondContact O-N 3.26Å
806K85.2Confident88.9Confident49 Ų4932 Ų3221%0.21316%0.155CC..THydrogen-bonded Turntrans-94-17.9179.4-56.5-59.6132.5172.80113.7Y729 F731 S736 L802 I803 I804Y729-K806 HydrophobicContact CD1-CG 4.19Å; Y729-K806 HydrophobicContact CE1-CG 3.85Å; F731-K806 HydrophobicContact CB-CB 4.38Å; F731-K806 HydrophobicContact CB-CG 4.27Å; F731-K806 HydrophobicContact CD1-CB 3.57Å; F731-K806 HydrophobicContact CD1-CG 4.28Å; F731-K806 HydrophobicContact CE1-CB 4.04Å; F731-K806 HydrophobicContact CG-CB 4.07Å; F731-K806 HydrophobicContact CG-CG 4.49Å; S736-K806 VanDerWaalsContact CB-NZ 3.28Å; S736-K806 WeakPolarHBondContact OG-CE 3.42Å; S736-K806 PolarHBondContact OG-NZ 2.83Å; L802-K806 WeakPolarHBondContact O-CG 3.21Å; I803-K806 PolarHBondContact O-N 3.3Å; I804-K806 VanDerWaalsContact C-N 3.33Å; I804-K806 PolarHBondContact O-N 3.29Å
807F88.8Confident89.7Confident12 Ų1230.5 Ų30.55%0.05315%0.148CC..  trans-81.1135.5178.4-57.1-43.3000112.1F731 I803 I812 Y872 L873 F878 F904F731-F807 HydrophobicContact CD2-CE1 4.36Å; F731-F807 HydrophobicContact CE1-CD1 4.38Å; F731-F807 HydrophobicContact CE1-CE1 4.45Å; F731-F807 HydrophobicContact CE2-CD1 4.25Å; F731-F807 AromaticContact CE2-CE1 3.57Å; F731-F807 HydrophobicContact CE2-CE1 3.57Å; F731-F807 AromaticContact CZ-CD1 3.8Å; F731-F807 HydrophobicContact CZ-CD1 3.8Å; F731-F807 AromaticContact CZ-CE1 3.6Å; F731-F807 HydrophobicContact CZ-CE1 3.6Å; I803-F807 HydrophobicContact CG2-CD2 4.45Å; I803-F807 HydrophobicContact CG2-CE2 3.45Å; I803-F807 VanDerWaalsContact CG2-CE2 3.45Å; I803-F807 HydrophobicContact CG2-CZ 3.85Å; F807-I812 HydrophobicContact CB-CD1 4.11Å; F807-I812 HydrophobicContact CB-CG2 3.94Å; F807-I812 HydrophobicContact CD2-CD1 4.41Å; F807-I812 HydrophobicContact CD2-CG2 4.21Å; F807-I812 HydrophobicContact CG-CD1 4.16Å; F807-I812 HydrophobicContact CG-CG2 4.45Å; F807-Y872 HydrophobicContact CB-CE1 4.1Å; F807-Y872 AromaticContact CD1-CE1 3.8Å; F807-Y872 HydrophobicContact CD1-CE1 3.8Å; F807-Y872 HydrophobicContact CG-CE1 4.27Å; F807-L873 HydrophobicContact CD1-CD2 4.12Å; F807-L873 HydrophobicContact CE1-CD2 3.72Å; F807-L873 HydrophobicContact CE2-CD2 4.18Å; F807-L873 HydrophobicContact CZ-CD2 3.78Å; F807-F878 HydrophobicContact CE1-CD1 4.27Å; F807-F878 HydrophobicContact CE1-CG 4.3Å; F807-F878 HydrophobicContact CE2-CD1 4.46Å; F807-F878 HydrophobicContact CE2-CE1 4.07Å; F807-F878 HydrophobicContact CE2-CZ 4.47Å; F807-F878 AromaticContact CZ-CD1 3.57Å; F807-F878 HydrophobicContact CZ-CD1 3.57Å; F807-F878 HydrophobicContact CZ-CD2 4.23Å; F807-F878 AromaticContact CZ-CE1 3.51Å; F807-F878 HydrophobicContact CZ-CE1 3.51Å; F807-F878 HydrophobicContact CZ-CE2 4.22Å; F807-F878 AromaticContact CZ-CG 3.92Å; F807-F878 HydrophobicContact CZ-CG 3.92Å; F807-F878 AromaticContact CZ-CZ 3.88Å; F807-F878 HydrophobicContact CZ-CZ 3.88Å; F807-F904 HydrophobicContact CD2-CD1 4.34Å; F807-F904 AromaticContact CD2-CE1 3.8Å; F807-F904 HydrophobicContact CD2-CE1 3.8Å; F807-F904 HydrophobicContact CD2-CE2 4.4Å; F807-F904 AromaticContact CD2-CZ 3.84Å; F807-F904 HydrophobicContact CD2-CZ 3.84Å; F807-F904 AromaticContact CE2-CD1 3.6Å; F807-F904 HydrophobicContact CE2-CD1 3.6Å; F807-F904 AromaticContact CE2-CE1 3.33Å; F807-F904 HydrophobicContact CE2-CE1 3.33Å; F807-F904 HydrophobicContact CE2-CG 4.31Å; F807-F904 AromaticContact CE2-CZ 3.88Å; F807-F904 HydrophobicContact CE2-CZ 3.88Å; F807-F904 HydrophobicContact CZ-CD1 4.47Å; F807-F904 HydrophobicContact CZ-CE1 4.2Å
808N88.4Confident90.3Very high111 Ų11130.4 Ų30.459%0.59415%0.147SC*.  trans-139.779.5173.6-179.182.3000108.7R814 Y872N808-R814 PolarHBondContact OD1-NH1 3.44Å; N808-Y872 PolarHBondContact N-OH 3.48Å; N808-Y872 VanDerWaalsContact N-OH 3.08Å
809H96Very high90.9Very high51 Ų5130.3 Ų30.324%0.23615%0.146CC..  trans-138.5145.7178.7-175.7-109.2000110.2N811 I812 C868 Y872H809-N811 VanDerWaalsContact C-N 3.26Å; H809-N811 PolarHBondContact CE1-OD1 2.62Å; H809-N811 PolarHBondContact ND1-N 3.32Å; H809-N811 PolarHBondContact O-N 3.18Å; H809-I812 HydrophobicContact CB-CB 4.46Å; H809-I812 HydrophobicContact CB-CD1 4.2Å; H809-I812 HydrophobicContact CB-CG1 4.31Å; H809-I812 PolarHBondContact O-N 2.99Å; H809-I812 VanDerWaalsContact O-N 3.14Å; H809-C868 VanDerWaalsContact CE1-C 3.48Å; H809-C868 PolarHBondContact CE1-O 3.3Å; H809-Y872 HydrophobicContact CB-CD1 3.67Å; H809-Y872 HydrophobicContact CB-CD2 3.85Å; H809-Y872 HydrophobicContact CB-CE1 3.86Å; H809-Y872 HydrophobicContact CB-CE2 4.05Å; H809-Y872 HydrophobicContact CB-CG 3.64Å; H809-Y872 AromaticContact CG-CG 3.72Å
810Q96.4Very high91.4Very high134 Ų13429.8 Ų29.863%0.62614%0.144SC*.THydrogen-bonded Turntrans-64.7-29.7-172.374.1-169.47.300113.3K900Q810-K900 VanDerWaalsContact O-CD 3.28Å; Q810-K900 WeakPolarHBondContact O-CD 3.18Å; Q810-K900 WeakPolarHBondContact O-CE 3.33Å; Q810-K900 PolarHBondContact O-NZ 3.44Å
811N98.2Very high91.5Very high1 Ų136.8 Ų36.81%0.00518%0.177CC..THydrogen-bonded Turntrans-97.522.5178.1-55.9101000113.4H809 D865 C868 A899 K900 I901H809-N811 VanDerWaalsContact C-N 3.26Å; H809-N811 PolarHBondContact CE1-OD1 2.62Å; H809-N811 PolarHBondContact ND1-N 3.32Å; H809-N811 PolarHBondContact O-N 3.18Å; N811-D865 WeakPolarHBondContact CB-O 3.46Å; N811-D865 VanDerWaalsContact ND2-CB 3.33Å; N811-D865 WeakPolarHBondContact ND2-CB 3.25Å; N811-D865 PolarHBondContact ND2-O 3.05Å; N811-D865 PolarHBondContact OD1-O 2.76Å; N811-C868 WeakPolarHBondContact OD1-CB 3.48Å; N811-A899 PolarHBondContact ND2-O 2.87Å; N811-K900 CarbonylContact O-C 3.56Å; N811-K900 VanDerWaalsContact O-CA 3.26Å; N811-K900 WeakPolarHBondContact O-CA 3.17Å; N811-I901 PolarHBondContact O-N 2.89Å
812I97Very high91.5Very high3 Ų339 Ų392%0.01519%0.192CC..BIsolated β-bridgetrans-123.9137.5168-65.8178.4000107.7F807 H809 R814 Y872 L873 I901 F904F807-I812 HydrophobicContact CB-CD1 4.11Å; F807-I812 HydrophobicContact CB-CG2 3.94Å; F807-I812 HydrophobicContact CD2-CD1 4.41Å; F807-I812 HydrophobicContact CD2-CG2 4.21Å; F807-I812 HydrophobicContact CG-CD1 4.16Å; F807-I812 HydrophobicContact CG-CG2 4.45Å; H809-I812 HydrophobicContact CB-CB 4.46Å; H809-I812 HydrophobicContact CB-CD1 4.2Å; H809-I812 HydrophobicContact CB-CG1 4.31Å; H809-I812 PolarHBondContact O-N 2.99Å; H809-I812 VanDerWaalsContact O-N 3.14Å; I812-R814 PolarHBondContact O-N 2.97Å; I812-Y872 HydrophobicContact CD1-CD1 3.54Å; I812-Y872 HydrophobicContact CD1-CE1 3.86Å; I812-L873 HydrophobicContact CD1-CD2 3.74Å; I812-L873 HydrophobicContact CD1-CG 4.18Å; I812-I901 HydrophobicContact CG1-CB 4.42Å; I812-F904 HydrophobicContact CD1-CZ 4.27Å; I812-F904 HydrophobicContact CG1-CZ 4.34Å; I812-F904 HydrophobicContact CG2-CE2 3.81Å; I812-F904 HydrophobicContact CG2-CZ 3.66Å
813V95.8Very high91.5Very high3 Ų343.4 Ų43.42%0.01822%0.215CC..PPolyproline II helixtrans-61.9122.8178170.20000109.8L829 E830 M832 L889 K900 I901V813-L829 HydrophobicContact CG1-CB 3.91Å; V813-L829 HydrophobicContact CG1-CD1 4.43Å; V813-E830 HydrophobicContact CG1-CB 4.11Å; V813-M832 HydrophobicContact CG2-CG 3.9Å; V813-M832 HydrophobicContact CG2-SD 4.25Å; V813-L889 HydrophobicContact CG2-CD1 4.24Å; V813-K900 HydrophobicContact CG2-CB 3.97Å; V813-K900 HydrophobicContact CG2-CD 4.47Å; V813-I901 WeakPolarHBondContact CG2-O 3.11Å; V813-I901 PolarHBondContact N-O 3.47Å
814R93.4Very high91.9Very high143 Ų14344.9 Ų44.954%0.5423%0.226SC..PPolyproline II helixtrans-74.1135.9-175.9-172.6-177-176.687.64.4111.8N808 I812 L829 E830N808-R814 PolarHBondContact OD1-NH1 3.44Å; I812-R814 PolarHBondContact O-N 2.97Å; R814-L829 CarbonylContact O-C 3.59Å; R814-L829 WeakPolarHBondContact O-CA 3.14Å; R814-E830 HydrophobicContact CB-CB 4.19Å; R814-E830 PolarHBondContact N-OE2 3Å; R814-E830 VanDerWaalsContact N-OE2 3.13Å; R814-E830 PolarHBondContact O-N 2.84Å
815C94.3Very high92.1Very high22 Ų2245.6 Ų45.615%0.14923%0.228CC..EExtended strand (participates in β ladder)trans-79.8122.9164.4-170.70000111I804 L829I804-C815 HydrophobicContact CG2-CB 4.17Å; C815-L829 HydrophobicContact CB-CD2 4.36Å
816I93.9Very high92.4Very high20 Ų2044.3 Ų44.310%0.10322%0.218CC..EExtended strand (participates in β ladder)trans-82.6-31.5173.5-7279.4000110.7K742 M771 L778 V780 L828 L829 E830K742-I816 WeakPolarHBondContact CD-O 3.44Å; K742-I816 PolarHBondContact NZ-O 3.19Å; M771-I816 HydrophobicContact CE-CG2 4.21Å; L778-I816 HydrophobicContact CD2-CG1 3.91Å; L778-I816 HydrophobicContact CD2-CG2 4.11Å; V780-I816 HydrophobicContact CG1-CB 4.31Å; V780-I816 HydrophobicContact CG1-CD1 3.91Å; V780-I816 HydrophobicContact CG1-CG1 3.86Å; V780-I816 HydrophobicContact CG1-CG2 4.42Å; I816-L828 HydrophobicContact CB-CB 4.19Å; I816-L828 PolarHBondContact N-O 3.31Å; I816-L829 WeakPolarHBondContact CD1-O 3.29Å; I816-E830 HydrophobicContact CD1-CB 4.46Å; I816-E830 VanDerWaalsContact CD1-N 3.29Å
817G93.3Very high92.8Very high3 Ų342 Ų423%0.03121%0.208CC..EExtended strand (participates in β ladder)trans157.7-166.5-175.100000111.6K742 L828K742-G817 CarbonylContact O-C 3.5Å; K742-G817 WeakPolarHBondContact O-CA 3.4Å; G817-L828 WeakPolarHBondContact O-CB 3.23Å; G817-L828 PolarHBondContact O-N 3.35Å
818V95.5Very high93.1Very high0 Ų041.4 Ų41.40%021%0.205CC..EExtended strand (participates in β ladder)trans-136.1169.5179.5-63.70000110.5L741 K742 E743 V744 A801 L820 F826 I827L741-V818 HydrophobicContact CB-CG2 3.78Å; L741-V818 HydrophobicContact CD1-CG1 4.44Å; L741-V818 HydrophobicContact CD1-CG2 4.36Å; K742-V818 PolarHBondContact O-N 3.39Å; E743-V818 CarbonylContact C-O 3.55Å; E743-V818 WeakPolarHBondContact CA-O 3.5Å; V744-V818 PolarHBondContact N-O 3.02Å; A801-V818 HydrophobicContact CB-CG1 3.98Å; V818-L820 HydrophobicContact CB-CD1 4.43Å; V818-L820 HydrophobicContact CB-CD2 4.19Å; V818-L820 HydrophobicContact CB-CG 3.92Å; V818-L820 HydrophobicContact CG2-CD1 4.09Å; V818-L820 HydrophobicContact CG2-CG 3.84Å; V818-F826 CarbonylContact C-O 3.41Å; V818-F826 WeakPolarHBondContact CA-O 3.42Å; V818-I827 HydrophobicContact CG1-CG1 4.38Å; V818-I827 HydrophobicContact CG1-CG2 4.49Å
819S95.1Very high93.4Very high0 Ų036.8 Ų36.80%018%0.181CC..EExtended strand (participates in β ladder)trans-138.885.9162.9-173.40000109E743 V744 R746 F826E743-S819 VanDerWaalsContact OE1-CA 3.3Å; E743-S819 WeakPolarHBondContact OE1-CA 3.42Å; E743-S819 WeakPolarHBondContact OE2-CA 3.3Å; V744-S819 PolarHBondContact O-OG 3.22Å; R746-S819 PolarHBondContact NE-OG 3.15Å; R746-S819 PolarHBondContact NH2-O 3.05Å; R746-S819 PolarHBondContact NH2-OG 3.08Å; R746-S819 VanDerWaalsContact NH2-OG 3.12Å; S819-F826 PolarHBondContact N-O 3.08Å; S819-F826 PolarHBondContact O-N 2.74Å
820L91.4Very high93.4Very high21 Ų2137 Ų3711%0.1118%0.181CC..  trans-97.8-16.8-175.4-53.2-177.5000112.6I738 L741 E743 F797 L798 V818 S822 R825I738-L820 HydrophobicContact CD1-CD1 4.16Å; I738-L820 HydrophobicContact CG1-CD1 4.24Å; L741-L820 HydrophobicContact CD1-CD1 3.83Å; E743-L820 VanDerWaalsContact CD-N 3.35Å; E743-L820 PolarHBondContact OE1-N 2.92Å; E743-L820 PolarHBondContact OE2-N 2.76Å; F797-L820 HydrophobicContact CD1-CD2 4.48Å; F797-L820 HydrophobicContact CE1-CD2 4.09Å; L798-L820 HydrophobicContact CD1-CD1 3.91Å; V818-L820 HydrophobicContact CB-CD1 4.43Å; V818-L820 HydrophobicContact CB-CD2 4.19Å; V818-L820 HydrophobicContact CB-CG 3.92Å; V818-L820 HydrophobicContact CG2-CD1 4.09Å; V818-L820 HydrophobicContact CG2-CG 3.84Å; L820-S822 PolarHBondContact O-N 3.38Å; L820-R825 HydrophobicContact CD2-CB 4.14Å
821Q86.4Confident93.4Very high150 Ų15032 Ų3270%0.70116%0.159SC*.SBendtrans-82.211179.6-58.8179.813.300113.3E743E743-Q821 HydrophobicContact CG-CG 4.12Å; E743-Q821 WeakPolarHBondContact OE1-CB 3.41Å; E743-Q821 WeakPolarHBondContact OE1-CG 3.35Å; E743-Q821 PolarHBondContact OE1-N 2.8Å
822S86.1Confident93.3Very high46 Ų4632.7 Ų32.732%0.32216%0.163SC..SBendtrans-150.4149.2179.5-66.10000110.2R746 L820 P824R746-S822 PolarHBondContact NH2-O 3.12Å; L820-S822 PolarHBondContact O-N 3.38Å; S822-P824 CarbonylContact O-C 3.58Å; S822-P824 VanDerWaalsContact O-O 3.07Å
823L86.8Confident93.2Very high93 Ų9335.9 Ų35.949%0.48719%0.189SC..SBendtrans-97.6149.9178.4-63.1-177000111.4R746 E787 R825R746-L823 PolarHBondContact NH1-O 3.3Å; R746-L823 VanDerWaalsContact NH1-O 3.15Å; E787-L823 HydrophobicContact CG-CB 4.05Å; L823-R825 HydrophobicContact CD2-CG 3.9Å
824P91.1Very high93.1Very high41 Ų4136.3 Ų36.327%0.26620%0.195SC..SBendcis-59.2156.2-19.727.4-34.4000110.6R746 L785 E787 S822 F826R746-P824 PolarHBondContact NH1-O 3.17Å; R746-P824 PolarHBondContact NH2-O 2.86Å; L785-P824 VanDerWaalsContact O-CB 3.3Å; L785-P824 WeakPolarHBondContact O-CB 3.45Å; E787-P824 HydrophobicContact CG-CB 4.07Å; E787-P824 VanDerWaalsContact OE1-CD 3.32Å; E787-P824 WeakPolarHBondContact OE1-CD 3.25Å; S822-P824 CarbonylContact O-C 3.58Å; S822-P824 VanDerWaalsContact O-O 3.07Å; P824-F826 HydrophobicContact CG-CE1 3.86Å; P824-F826 HydrophobicContact CG-CZ 4.28Å
825R91.3Very high93.1Very high16 Ų1631.2 Ų31.26%0.0619%0.186CC..EExtended strand (participates in β ladder)trans-80.5146.4-176.5-59.7-174.5-175.486.1-15.6110.9T784 L785 E794 F797 L820 L823T784-R825 WeakPolarHBondContact CA-O 3.34Å; L785-R825 HydrophobicContact CB-CB 4.2Å; L785-R825 PolarHBondContact N-O 2.7Å; E794-R825 VanDerWaalsContact CD-CZ 3.47Å; E794-R825 VanDerWaalsContact CD-NH1 3.25Å; E794-R825 IonicContact OE1-CZ 3.76Å; E794-R825 IonicContact OE1-NH1 4Å; E794-R825 PolarHBondContact OE1-NH1 2.95Å; E794-R825 IonicContact OE1-NH2 3Å; E794-R825 PolarHBondContact OE1-NH2 2.99Å; E794-R825 IonicContact OE2-CZ 2.66Å; E794-R825 IonicContact OE2-NH1 3.79Å; E794-R825 IonicContact OE2-NH2 2.63Å; E794-R825 PolarHBondContact OE2-NH2 3.31Å; F797-R825 HydrophobicContact CE1-CB 3.95Å; L820-R825 HydrophobicContact CD2-CB 4.14Å; L823-R825 HydrophobicContact CD2-CG 3.9Å
826F95.1Very high93.2Very high11 Ų1132.4 Ų32.45%0.04819%0.191CC..EExtended strand (participates in β ladder)trans-123.9144-177-60.8-29.9000113.7R746 I749 L751 V782 K783 T784 V818 S819 P824 L828R746-F826 VanDerWaalsContact CZ-CD2 3.49Å; R746-F826 VanDerWaalsContact CZ-CE2 3.45Å; I749-F826 HydrophobicContact CD1-CD2 4.13Å; I749-F826 HydrophobicContact CG2-CD2 4.25Å; I749-F826 HydrophobicContact CG2-CE2 4.29Å; L751-F826 HydrophobicContact CD1-CZ 4.2Å; L751-F826 HydrophobicContact CD2-CZ 4.31Å; V782-F826 HydrophobicContact CG1-CB 3.77Å; V782-F826 HydrophobicContact CG1-CD1 3.63Å; V782-F826 HydrophobicContact CG1-CD2 3.92Å; V782-F826 HydrophobicContact CG1-CE1 4.16Å; V782-F826 HydrophobicContact CG1-CE2 4.4Å; V782-F826 HydrophobicContact CG1-CG 3.52Å; K783-F826 WeakPolarHBondContact O-CA 3.39Å; T784-F826 HydrophobicContact CG2-CD1 3.89Å; T784-F826 HydrophobicContact CG2-CE1 3.72Å; V818-F826 CarbonylContact C-O 3.41Å; V818-F826 WeakPolarHBondContact CA-O 3.42Å; S819-F826 PolarHBondContact N-O 3.08Å; S819-F826 PolarHBondContact O-N 2.74Å; P824-F826 HydrophobicContact CG-CE1 3.86Å; P824-F826 HydrophobicContact CG-CZ 4.28Å; F826-L828 HydrophobicContact CB-CD2 4.34Å
827I94.5Very high93.3Very high0 Ų031.4 Ų31.40%019%0.186CC..EExtended strand (participates in β ladder)trans-111.4134157.6-57.9166.5000107.5V782 K783 F797 E800 A801 V818 L829V782-I827 WeakPolarHBondContact CA-O 3.29Å; K783-I827 HydrophobicContact CB-CB 4.38Å; K783-I827 PolarHBondContact N-O 3.29Å; K783-I827 PolarHBondContact O-N 3.38Å; F797-I827 HydrophobicContact CD1-CD1 4.16Å; F797-I827 HydrophobicContact CD1-CG1 4.34Å; F797-I827 HydrophobicContact CD2-CD1 4.03Å; F797-I827 HydrophobicContact CE1-CD1 3.96Å; F797-I827 HydrophobicContact CE1-CG1 3.72Å; F797-I827 HydrophobicContact CE2-CD1 3.83Å; F797-I827 HydrophobicContact CE2-CG1 4.16Å; F797-I827 HydrophobicContact CG-CD1 4.21Å; F797-I827 HydrophobicContact CZ-CB 4.44Å; F797-I827 HydrophobicContact CZ-CD1 3.81Å; F797-I827 HydrophobicContact CZ-CG1 3.63Å; E800-I827 HydrophobicContact CB-CD1 4.44Å; A801-I827 HydrophobicContact CB-CD1 3.82Å; A801-I827 HydrophobicContact CB-CG1 3.93Å; V818-I827 HydrophobicContact CG1-CG1 4.38Å; V818-I827 HydrophobicContact CG1-CG2 4.49Å; I827-L829 HydrophobicContact CG2-CD2 3.65Å; I827-L829 HydrophobicContact CG2-CG 4Å
828L95.3Very high93.5Very high0 Ų033 Ų330%019%0.192CC..EExtended strand (participates in β ladder)trans-107.8111.5-175.8-53172.7000109.4V744 I749 V768 V780 V782 I816 G817 F826V744-L828 HydrophobicContact CB-CD1 3.73Å; V744-L828 HydrophobicContact CG1-CD1 4.06Å; V744-L828 HydrophobicContact CG2-CD1 3.7Å; I749-L828 HydrophobicContact CD1-CD1 3.89Å; I749-L828 HydrophobicContact CD1-CD2 4.26Å; I749-L828 HydrophobicContact CG1-CD1 4.29Å; I749-L828 HydrophobicContact CG2-CD2 4.19Å; V768-L828 HydrophobicContact CG2-CD1 4.05Å; V780-L828 HydrophobicContact CG2-CD2 4.43Å; V782-L828 HydrophobicContact CB-CD2 4.31Å; V782-L828 HydrophobicContact CG1-CD2 3.93Å; V782-L828 HydrophobicContact CG2-CD2 3.73Å; I816-L828 HydrophobicContact CB-CB 4.19Å; I816-L828 PolarHBondContact N-O 3.31Å; G817-L828 WeakPolarHBondContact O-CB 3.23Å; G817-L828 PolarHBondContact O-N 3.35Å; F826-L828 HydrophobicContact CB-CD2 4.34Å
829L95.4Very high93.4Very high14 Ų1434.7 Ų34.77%0.07320%0.204CC..EExtended strand (participates in β ladder)trans-116.1158.7-172.5-59.8-176.9000111.7V780 A781 I804 V813 R814 C815 I816 I827 L831V780-L829 CarbonylContact C-O 3.5Å; V780-L829 WeakPolarHBondContact CA-O 3.48Å; V780-L829 WeakPolarHBondContact CB-O 3.46Å; A781-L829 HydrophobicContact CB-CB 4.33Å; A781-L829 PolarHBondContact N-O 3.47Å; A781-L829 PolarHBondContact O-N 2.86Å; I804-L829 HydrophobicContact CD1-CD1 4.33Å; I804-L829 HydrophobicContact CD1-CD2 3.76Å; I804-L829 HydrophobicContact CG1-CD2 4.42Å; I804-L829 HydrophobicContact CG2-CD2 4.17Å; V813-L829 HydrophobicContact CG1-CB 3.91Å; V813-L829 HydrophobicContact CG1-CD1 4.43Å; R814-L829 CarbonylContact O-C 3.59Å; R814-L829 WeakPolarHBondContact O-CA 3.14Å; C815-L829 HydrophobicContact CB-CD2 4.36Å; I816-L829 WeakPolarHBondContact CD1-O 3.29Å; I827-L829 HydrophobicContact CG2-CD2 3.65Å; I827-L829 HydrophobicContact CG2-CG 4Å; L829-L831 PolarHBondContact O-N 3.44Å
830E95.3Very high93.5Very high55 Ų5535.1 Ų35.126%0.25721%0.206SC..EExtended strand (participates in β ladder)trans-56.3130.2173.5-175.1178.4-172.600110.7V813 R814 I816 M832 K900V813-E830 HydrophobicContact CG1-CB 4.11Å; R814-E830 HydrophobicContact CB-CB 4.19Å; R814-E830 PolarHBondContact N-OE2 3Å; R814-E830 VanDerWaalsContact N-OE2 3.13Å; R814-E830 PolarHBondContact O-N 2.84Å; I816-E830 HydrophobicContact CD1-CB 4.46Å; I816-E830 VanDerWaalsContact CD1-N 3.29Å; E830-M832 HydrophobicContact CG-SD 4.32Å; E830-M832 PolarHBondContact O-N 3.4Å; E830-K900 IonicContact OE1-NZ 3.58Å; E830-K900 PolarHBondContact OE1-NZ 3.18Å; E830-K900 IonicContact OE2-NZ 3.51Å; E830-K900 PolarHBondContact OE2-NZ 2.92Å
831L95.9Very high93.8Very high31 Ų3134.2 Ų34.216%0.16220%0.201CC..  trans-73.9110.6-179.4-177.964.2000110.6L755 E765 Q779 A781 L829 A833L755-L831 HydrophobicContact CD1-CD1 3.95Å; E765-L831 HydrophobicContact CB-CD1 4.38Å; E765-L831 HydrophobicContact CG-CD1 3.97Å; E765-L831 HydrophobicContact CG-CD2 3.8Å; Q779-L831 HydrophobicContact CB-CD2 3.85Å; Q779-L831 HydrophobicContact CG-CD2 4.29Å; A781-L831 HydrophobicContact CB-CD1 4.36Å; L829-L831 PolarHBondContact O-N 3.44Å; L831-A833 PolarHBondContact O-N 3.11Å
832M96.5Very high94.2Very high15 Ų1533.3 Ų33.37%0.07419%0.191CC..  trans-95.482.3180-62.1-62-72.700110.2V813 E830 G834 G835 L889 L890 T891 K900V813-M832 HydrophobicContact CG2-CG 3.9Å; V813-M832 HydrophobicContact CG2-SD 4.25Å; E830-M832 HydrophobicContact CG-SD 4.32Å; E830-M832 PolarHBondContact O-N 3.4Å; M832-G834 PolarHBondContact O-N 3.32Å; M832-G834 VanDerWaalsContact O-N 3.12Å; M832-G835 PolarHBondContact O-N 3.46Å; M832-L889 HydrophobicContact CB-CB 3.66Å; M832-L889 HydrophobicContact CB-CD1 3.97Å; M832-L889 HydrophobicContact CB-CG 4.45Å; M832-L889 VanDerWaalsContact CE-C 3.49Å; M832-L889 HydrophobicContact CE-CB 3.9Å; M832-L889 VanDerWaalsContact CE-O 3.29Å; M832-L889 WeakPolarHBondContact CE-O 3.48Å; M832-L889 HydrophobicContact CG-CB 3.76Å; M832-L889 HydrophobicContact CG-CD1 3.91Å; M832-L890 CarbonylContact C-O 3.59Å; M832-L890 VanDerWaalsContact C-O 3.23Å; M832-L890 WeakPolarHBondContact CA-O 3.47Å; M832-L890 WeakPolarHBondContact CB-O 3.46Å; M832-L890 VanDerWaalsContact CE-C 3.4Å; M832-T891 HydrophobicContact CE-CG2 3.88Å; M832-T891 HydrophobicContact SD-CG2 4.07Å; M832-K900 HydrophobicContact CE-CB 3.85Å; M832-K900 HydrophobicContact CE-CD 3.79Å; M832-K900 HydrophobicContact CE-CG 3.56Å; M832-K900 HydrophobicContact SD-CD 3.98Å; M832-K900 HydrophobicContact SD-CG 4.41Å
833A94.7Very high94.5Very high70 Ų7037.4 Ų37.458%0.57921%0.206SC*.THydrogen-bonded Turntrans-70.5-4.8-170.300000115.1L831 G835 T891L831-A833 PolarHBondContact O-N 3.11Å; A833-G835 VanDerWaalsContact C-N 3.35Å; A833-T891 PolarHBondContact N-O 3.31Å
834G93.8Very high94.9Very high12 Ų1234.5 Ų34.512%0.12419%0.192CC..THydrogen-bonded Turntrans-85.5-1.8168.700000114.5M832 L890M832-G834 PolarHBondContact O-N 3.32Å; M832-G834 VanDerWaalsContact O-N 3.12Å; G834-L890 VanDerWaalsContact CA-O 3.26Å; G834-L890 WeakPolarHBondContact CA-O 3.42Å; G834-L890 PolarHBondContact N-O 3.27Å
835G94.3Very high95Very high36 Ų3633.8 Ų33.837%0.37118%0.183SC..  trans71.1-159.9-179.500000113.4M832 A833 L889 L890M832-G835 PolarHBondContact O-N 3.46Å; A833-G835 VanDerWaalsContact C-N 3.35Å; G835-L889 WeakPolarHBondContact O-CA 3.29Å; G835-L890 PolarHBondContact O-N 2.83Å
836D94.8Very high95.1Very high46 Ų4633.1 Ų33.125%0.24618%0.181CC..BIsolated β-bridgetrans-82.3144.7175.489.9-94.2000112.1K838 S839 F840 L889D836-K838 VanDerWaalsContact C-N 3.27Å; D836-K838 PolarHBondContact O-N 2.59Å; D836-K838 VanDerWaalsContact OD2-CA 3.29Å; D836-K838 WeakPolarHBondContact OD2-CA 3.27Å; D836-K838 WeakPolarHBondContact OD2-CB 3.35Å; D836-K838 PolarHBondContact OD2-N 3.14Å; D836-S839 PolarHBondContact O-N 3.07Å; D836-S839 WeakPolarHBondContact OD1-CB 3.23Å; D836-S839 PolarHBondContact OD1-OG 3.42Å; D836-S839 PolarHBondContact OD2-N 3.26Å; D836-F840 WeakPolarHBondContact O-CB 3.38Å; D836-F840 PolarHBondContact O-N 3.39Å; D836-L889 HydrophobicContact CB-CD2 3.89Å
837L97.6Very high94.8Very high0 Ų037.7 Ų37.70%020%0.198CC..Hα-helixtrans-64-29.9-175.6173.262.8000112.5F840 L841 V862 A885 C888 L890 L951 I955L837-F840 HydrophobicContact CD1-CD1 4.22Å; L837-L841 HydrophobicContact CD1-CD1 3.8Å; L837-L841 HydrophobicContact CD1-CD2 4.39Å; L837-L841 HydrophobicContact CD1-CG 3.78Å; L837-L841 HydrophobicContact CG-CD1 3.78Å; L837-L841 HydrophobicContact CG-CG 4.26Å; L837-L841 VanDerWaalsContact O-CB 3.28Å; L837-L841 WeakPolarHBondContact O-CB 3.2Å; L837-L841 WeakPolarHBondContact O-CD1 3.46Å; L837-L841 WeakPolarHBondContact O-CG 3.49Å; L837-L841 PolarHBondContact O-N 3.18Å; L837-V862 HydrophobicContact CD1-CG1 3.64Å; L837-V862 HydrophobicContact CD1-CG2 4.45Å; L837-V862 HydrophobicContact CD2-CG1 3.5Å; L837-V862 VanDerWaalsContact CD2-CG1 3.5Å; L837-V862 HydrophobicContact CG-CG1 4.23Å; L837-A885 WeakPolarHBondContact CB-O 2.94Å; L837-A885 HydrophobicContact CG-CB 4.48Å; L837-C888 HydrophobicContact CB-CB 3.92Å; L837-C888 WeakPolarHBondContact CB-O 3.37Å; L837-C888 HydrophobicContact CD2-CB 3.81Å; L837-C888 PolarHBondContact N-O 3.29Å; L837-L890 HydrophobicContact CD1-CD1 4.04Å; L837-L890 HydrophobicContact CD1-CG 4.47Å; L837-L951 HydrophobicContact CD2-CD1 4.26Å; L837-I955 HydrophobicContact CD2-CD1 4.37Å; L837-I955 HydrophobicContact CD2-CG1 4.15Å
838K96.1Very high94.4Very high35 Ų3540.9 Ų40.915%0.15222%0.219CC..Hα-helixtrans-72.2-38.5-179.7-165-177.7-175.162.40111.8D836 R842 A885 R886 E954 Y960D836-K838 VanDerWaalsContact C-N 3.27Å; D836-K838 PolarHBondContact O-N 2.59Å; D836-K838 VanDerWaalsContact OD2-CA 3.29Å; D836-K838 WeakPolarHBondContact OD2-CA 3.27Å; D836-K838 WeakPolarHBondContact OD2-CB 3.35Å; D836-K838 PolarHBondContact OD2-N 3.14Å; K838-R842 WeakPolarHBondContact O-CD 3.4Å; K838-R842 VanDerWaalsContact O-CG 3.25Å; K838-R842 WeakPolarHBondContact O-CG 3.46Å; K838-A885 HydrophobicContact CB-CB 3.9Å; K838-A885 HydrophobicContact CG-CB 4.33Å; K838-A885 PolarHBondContact N-O 3.45Å; K838-R886 HydrophobicContact CD-CB 4.5Å; K838-E954 IonicContact NZ-OE1 3.8Å; K838-E954 PolarHBondContact NZ-OE1 3.42Å; K838-Y960 PolarHBondContact NZ-O 3.12Å
839S94.1Very high93.7Very high36 Ų3645.4 Ų45.425%0.25225%0.251SS..Hα-helixtrans-71-47.9174.6-57.90000110.7D836 L841 R842 E843D836-S839 PolarHBondContact O-N 3.07Å; D836-S839 WeakPolarHBondContact OD1-CB 3.23Å; D836-S839 PolarHBondContact OD1-OG 3.42Å; D836-S839 PolarHBondContact OD2-N 3.26Å; S839-L841 PolarHBondContact O-N 3.41Å; S839-R842 WeakPolarHBondContact O-CB 3.47Å; S839-R842 PolarHBondContact O-N 2.72Å; S839-E843 PolarHBondContact O-N 3.16Å
840F97.1Very high93.1Very high10 Ų1050.7 Ų50.74%0.04428%0.275CS..Hα-helixtrans-51-50.6173.4173.4-97.1000112.8D836 L837 R842 E843 T844 L854 L890 P893 R897D836-F840 WeakPolarHBondContact O-CB 3.38Å; D836-F840 PolarHBondContact O-N 3.39Å; L837-F840 HydrophobicContact CD1-CD1 4.22Å; F840-R842 PolarHBondContact O-N 2.9Å; F840-R842 VanDerWaalsContact O-N 3.11Å; F840-E843 PolarHBondContact O-N 2.95Å; F840-T844 WeakPolarHBondContact CD2-OG1 3.47Å; F840-T844 HydrophobicContact CE2-CG2 4.18Å; F840-T844 VanDerWaalsContact CE2-OG1 3.29Å; F840-T844 WeakPolarHBondContact CE2-OG1 3.27Å; F840-T844 HydrophobicContact CZ-CG2 4.22Å; F840-T844 WeakPolarHBondContact O-CB 3.32Å; F840-T844 PolarHBondContact O-N 3.14Å; F840-T844 PolarHBondContact O-OG1 3.04Å; F840-L854 HydrophobicContact CE1-CD1 4.46Å; F840-L854 HydrophobicContact CE1-CD2 3.97Å; F840-L854 HydrophobicContact CZ-CD2 3.87Å; F840-L890 HydrophobicContact CB-CD1 3.63Å; F840-L890 HydrophobicContact CD1-CD1 3.34Å; F840-L890 HydrophobicContact CD2-CD1 3.83Å; F840-L890 HydrophobicContact CE1-CD1 3.93Å; F840-L890 HydrophobicContact CE2-CD1 4.36Å; F840-L890 HydrophobicContact CG-CD1 3.28Å; F840-L890 HydrophobicContact CZ-CD1 4.41Å; F840-P893 HydrophobicContact CD2-CB 4.43Å; F840-P893 HydrophobicContact CE2-CB 4.26Å; F840-P893 WeakPolarHBondContact CE2-O 3.36Å; F840-R897 VanDerWaalsContact CZ-NE 3.31Å
841L97.2Very high92.3Very high1 Ų151.9 Ų51.91%0.00529%0.287CS..Hα-helixtrans-62.6-18.9178.8-75.7167.6000114.2L837 S839 R845 L859 I955 L958L837-L841 HydrophobicContact CD1-CD1 3.8Å; L837-L841 HydrophobicContact CD1-CD2 4.39Å; L837-L841 HydrophobicContact CD1-CG 3.78Å; L837-L841 HydrophobicContact CG-CD1 3.78Å; L837-L841 HydrophobicContact CG-CG 4.26Å; L837-L841 VanDerWaalsContact O-CB 3.28Å; L837-L841 WeakPolarHBondContact O-CB 3.2Å; L837-L841 WeakPolarHBondContact O-CD1 3.46Å; L837-L841 WeakPolarHBondContact O-CG 3.49Å; L837-L841 PolarHBondContact O-N 3.18Å; S839-L841 PolarHBondContact O-N 3.41Å; L841-R845 WeakPolarHBondContact O-CG 3.37Å; L841-L859 HydrophobicContact CD2-CD2 3.7Å; L841-I955 HydrophobicContact CD1-CG1 4.29Å; L841-L958 HydrophobicContact CD2-CD2 4.4Å; L841-L958 CarbonylContact O-C 3.55Å; L841-L958 VanDerWaalsContact O-O 3.14Å
842R95.1Very high91.8Very high132 Ų13255.5 Ų55.550%0.49832%0.315SS..Hα-helixtrans-95.7-33.2178.9-70170.263.1-138.3-3.9112.7K838 S839 F840 R845K838-R842 WeakPolarHBondContact O-CD 3.4Å; K838-R842 VanDerWaalsContact O-CG 3.25Å; K838-R842 WeakPolarHBondContact O-CG 3.46Å; S839-R842 WeakPolarHBondContact O-CB 3.47Å; S839-R842 PolarHBondContact O-N 2.72Å; F840-R842 PolarHBondContact O-N 2.9Å; F840-R842 VanDerWaalsContact O-N 3.11Å; R842-R845 WeakPolarHBondContact O-CD 3.24Å; R842-R845 WeakPolarHBondContact O-CG 3.29Å
843E93.3Very high91.3Very high132 Ų13256 Ų5662%0.61732%0.32SS*.Hα-helixtrans-77.4-47.6177.8-73.3158.8-150.900110.8S839 F840 R845S839-E843 PolarHBondContact O-N 3.16Å; F840-E843 PolarHBondContact O-N 2.95Å; E843-R845 PolarHBondContact O-N 3.39Å
844T93.5Very high91.2Very high32 Ų3253.1 Ų53.120%0.19630%0.295CS..SBendtrans-84.720.8-175.5-34.60000113.6F840 S853 L854F840-T844 WeakPolarHBondContact CD2-OG1 3.47Å; F840-T844 HydrophobicContact CE2-CG2 4.18Å; F840-T844 VanDerWaalsContact CE2-OG1 3.29Å; F840-T844 WeakPolarHBondContact CE2-OG1 3.27Å; F840-T844 HydrophobicContact CZ-CG2 4.22Å; F840-T844 WeakPolarHBondContact O-CB 3.32Å; F840-T844 PolarHBondContact O-N 3.14Å; F840-T844 PolarHBondContact O-OG1 3.04Å; T844-S853 WeakPolarHBondContact O-CB 3.39Å; T844-S853 PolarHBondContact O-OG 3.35Å; T844-L854 HydrophobicContact CG2-CD1 4.48Å; T844-L854 HydrophobicContact CG2-CD2 4.26Å; T844-L854 HydrophobicContact CG2-CG 4Å; T844-L854 WeakPolarHBondContact O-CD1 3.5Å; T844-L854 WeakPolarHBondContact O-CG 3.34Å
845R94.1Very high91.3Very high25 Ų2554.7 Ų54.79%0.09431%0.307CS..  trans-64.4140.5177.6-69.8-179.6172.1-174.8-5.7111.9L841 R842 E843 R847 S853 L958 E1033L841-R845 WeakPolarHBondContact O-CG 3.37Å; R842-R845 WeakPolarHBondContact O-CD 3.24Å; R842-R845 WeakPolarHBondContact O-CG 3.29Å; E843-R845 PolarHBondContact O-N 3.39Å; R845-R847 PolarHBondContact O-N 3.47Å; R845-S853 PolarHBondContact O-OG 3.28Å; R845-L958 HydrophobicContact CG-CB 4.02Å; R845-L958 HydrophobicContact CG-CD1 4.26Å; R845-L958 VanDerWaalsContact CZ-O 3.27Å; R845-L958 PolarHBondContact NE-O 3.29Å; R845-L958 PolarHBondContact NH2-O 3.02Å; R845-E1033 WeakPolarHBondContact CD-OE2 3.4Å; R845-E1033 IonicContact CZ-OE2 2.68Å; R845-E1033 IonicContact NE-OE2 2.74Å; R845-E1033 IonicContact NH1-OE1 2.68Å; R845-E1033 PolarHBondContact NH1-OE1 3.01Å; R845-E1033 IonicContact NH1-OE2 2.88Å; R845-E1033 PolarHBondContact NH1-OE2 2.82Å
846P92.7Very high91.4Very high2 Ų253.1 Ų53.11%0.01329%0.29CS..  trans-56.2124170.7-27.336.8000111.6S853 L1030 I1032 E1033P846-S853 WeakPolarHBondContact CA-OG 3.47Å; P846-L1030 HydrophobicContact CG-CB 4.03Å; P846-L1030 HydrophobicContact CG-CD1 4.47Å; P846-I1032 HydrophobicContact CB-CG1 4.33Å; P846-I1032 WeakPolarHBondContact O-CA 3.23Å; P846-E1033 PolarHBondContact O-N 3.41Å
847R89.4Confident91.6Very high108 Ų10854 Ų5441%0.40829%0.294SS..BIsolated β-bridgetrans-130.4162.6179.8-71.2178.6-165.2-176.19.7109.8R845 S849 Q850 P851R845-R847 PolarHBondContact O-N 3.47Å; R847-S849 PolarHBondContact O-N 3.47Å; R847-S849 VanDerWaalsContact O-N 3.1Å; R847-Q850 PolarHBondContact N-O 3.08Å; R847-Q850 VanDerWaalsContact N-O 3.09Å; R847-Q850 CarbonylContact O-C 3.44Å; R847-Q850 PolarHBondContact O-N 2.82Å; R847-P851 VanDerWaalsContact O-CA 3.29Å; R847-P851 WeakPolarHBondContact O-CA 3.19Å
848P85.9Confident91.6Very high67 Ų6755.9 Ų55.944%0.43530%0.304SS..THydrogen-bonded Turntrans-54.1-31.1177-28.736.5000114.7I1032 E1033 Y1034P848-I1032 HydrophobicContact CG-CG2 4.2Å; P848-E1033 WeakPolarHBondContact CD-O 3.19Å; P848-Y1034 HydrophobicContact CG-CD1 4.17Å; P848-Y1034 HydrophobicContact CG-CE1 4.38Å
849S82Confident91.7Very high95 Ų9554.3 Ų54.366%0.66430%0.297SS*.THydrogen-bonded Turntrans-81.2-20.5175.451.90000114.7R847R847-S849 PolarHBondContact O-N 3.47Å; R847-S849 VanDerWaalsContact O-N 3.1Å
850Q82.1Confident91.9Very high124 Ų12452.6 Ų52.658%0.57929%0.286SS*.BIsolated β-bridgetrans-144.674.5178.4-65.8-172.8300109R847 S852R847-Q850 PolarHBondContact N-O 3.08Å; R847-Q850 VanDerWaalsContact N-O 3.09Å; R847-Q850 CarbonylContact O-C 3.44Å; R847-Q850 PolarHBondContact O-N 2.82Å; Q850-S852 PolarHBondContact O-N 2.85Å
851P79.1Confident91.9Very high80 Ų8055.3 Ų55.352%0.51930%0.298SS..THydrogen-bonded Turntrans-74.6-10.4-169.829-36.3000113.9R847 I1032R847-P851 VanDerWaalsContact O-CA 3.29Å; R847-P851 WeakPolarHBondContact O-CA 3.19Å; P851-I1032 HydrophobicContact CB-CD1 4.31Å
852S83.7Confident92Very high107 Ų10755.6 Ų55.675%0.74830%0.3SS*.THydrogen-bonded Turntrans-129.437.4-177.564.80000112.2Q850 L854Q850-S852 PolarHBondContact O-N 2.85Å; S852-L854 VanDerWaalsContact C-N 3.29Å
853S86.3Confident92.2Very high25 Ų2549.3 Ų49.318%0.17528%0.276CS..SBendtrans-69.1-26.5177.8590000113.4T844 R845 P846T844-S853 WeakPolarHBondContact O-CB 3.39Å; T844-S853 PolarHBondContact O-OG 3.35Å; R845-S853 PolarHBondContact O-OG 3.28Å; P846-S853 WeakPolarHBondContact CA-OG 3.47Å
854L93.6Very high92.4Very high10 Ų1046.5 Ų46.55%0.05226%0.26CS..  trans-141.9151.3172.1-71.9173.7000109.4F840 T844 S852 D858 L859 L958 L1030F840-L854 HydrophobicContact CE1-CD1 4.46Å; F840-L854 HydrophobicContact CE1-CD2 3.97Å; F840-L854 HydrophobicContact CZ-CD2 3.87Å; T844-L854 HydrophobicContact CG2-CD1 4.48Å; T844-L854 HydrophobicContact CG2-CD2 4.26Å; T844-L854 HydrophobicContact CG2-CG 4Å; T844-L854 WeakPolarHBondContact O-CD1 3.5Å; T844-L854 WeakPolarHBondContact O-CG 3.34Å; S852-L854 VanDerWaalsContact C-N 3.29Å; L854-D858 HydrophobicContact CD2-CB 3.89Å; L854-L859 HydrophobicContact CD1-CD2 4.39Å; L854-L958 HydrophobicContact CD1-CD2 4.33Å; L854-L1030 HydrophobicContact CB-CD1 3.89Å
855A95.4Very high92.7Very high45 Ų4545.4 Ų45.437%0.37225%0.253SS..  trans-118.6167.916800000111.2L857 D858A855-L857 PolarHBondContact O-N 3.33Å; A855-D858 PolarHBondContact N-OD2 3.12Å; A855-D858 WeakPolarHBondContact O-CB 3.41Å; A855-D858 PolarHBondContact O-N 3.3Å; A855-D858 VanDerWaalsContact O-N 3.11Å
856M97.4Very high92.9Very high3 Ų344.2 Ų44.22%0.01525%0.248CC..Hα-helixtrans-58.6-31.8177.3-161.767.567.500112.2L859 L860 F956 P988 V1025 T1028 L1030M856-L859 WeakPolarHBondContact O-CB 3.49Å; M856-L859 PolarHBondContact O-N 2.94Å; M856-L859 HydrophobicContact SD-CD1 4.43Å; M856-L860 HydrophobicContact CG-CD1 4.38Å; M856-L860 WeakPolarHBondContact O-CG 3.29Å; M856-L860 PolarHBondContact O-N 3.09Å; M856-F956 HydrophobicContact CG-CE1 4.29Å; M856-F956 HydrophobicContact SD-CD1 3.61Å; M856-F956 HydrophobicContact SD-CE1 3.52Å; M856-F956 VanDerWaalsContact SD-CE1 3.52Å; M856-P988 HydrophobicContact CE-CG 3.78Å; M856-P988 HydrophobicContact CG-CG 4.24Å; M856-P988 HydrophobicContact SD-CG 3.98Å; M856-V1025 WeakPolarHBondContact CG-O 3.17Å; M856-T1028 HydrophobicContact CE-CG2 3.71Å; M856-T1028 VanDerWaalsContact CE-O 3.27Å; M856-T1028 WeakPolarHBondContact CE-O 2.81Å; M856-L1030 HydrophobicContact CE-CD2 3.56Å; M856-L1030 HydrophobicContact CE-CG 4.39Å; M856-L1030 HydrophobicContact SD-CD2 3.88Å
857L97.1Very high93.2Very high64 Ų6444.1 Ų44.134%0.33525%0.248SC..Hα-helixtrans-65.8-35.3176.9-175.659.5000113.3A855 L859 L860 H861 T1020 I1026A855-L857 PolarHBondContact O-N 3.33Å; L857-L859 VanDerWaalsContact C-N 3.29Å; L857-L859 PolarHBondContact O-N 3Å; L857-L860 PolarHBondContact O-N 3.41Å; L857-H861 VanDerWaalsContact O-CG 3.31Å; L857-H861 PolarHBondContact O-N 2.87Å; L857-H861 PolarHBondContact O-ND1 2.87Å; L857-T1020 HydrophobicContact CD1-CG2 3.7Å; L857-I1026 HydrophobicContact CD1-CG2 4.46Å
858D97.6Very high93.6Very high40 Ų4040.1 Ų40.121%0.21424%0.236CC..Hα-helixtrans-62-41.1174-64.3-79.4000111.1L854 A855 H861 V862 R897L854-D858 HydrophobicContact CD2-CB 3.89Å; A855-D858 PolarHBondContact N-OD2 3.12Å; A855-D858 WeakPolarHBondContact O-CB 3.41Å; A855-D858 PolarHBondContact O-N 3.3Å; A855-D858 VanDerWaalsContact O-N 3.11Å; D858-H861 PolarHBondContact O-N 3.37Å; D858-V862 WeakPolarHBondContact O-CG2 3.42Å; D858-V862 PolarHBondContact O-N 3.12Å; D858-R897 IonicContact OD1-CZ 3.45Å; D858-R897 IonicContact OD1-NH1 3.36Å; D858-R897 PolarHBondContact OD1-NH1 2.9Å
859L98.4Very high94.2Very high2 Ų237 Ų371%0.0122%0.216CC..Hα-helixtrans-68.6-40179.7-56.4-171.5000111.9L841 L854 M856 L857 V862 A863 I955 F956 L958 L1030L841-L859 HydrophobicContact CD2-CD2 3.7Å; L854-L859 HydrophobicContact CD1-CD2 4.39Å; M856-L859 WeakPolarHBondContact O-CB 3.49Å; M856-L859 PolarHBondContact O-N 2.94Å; M856-L859 HydrophobicContact SD-CD1 4.43Å; L857-L859 VanDerWaalsContact C-N 3.29Å; L857-L859 PolarHBondContact O-N 3Å; L859-V862 PolarHBondContact O-N 3.45Å; L859-A863 WeakPolarHBondContact O-CB 3.47Å; L859-A863 PolarHBondContact O-N 3.12Å; L859-I955 HydrophobicContact CB-CG2 3.73Å; L859-I955 HydrophobicContact CD2-CG2 4.07Å; L859-I955 HydrophobicContact CG-CG2 4.34Å; L859-F956 HydrophobicContact CB-CD1 4.17Å; L859-F956 HydrophobicContact CB-CE1 3.7Å; L859-F956 HydrophobicContact CB-CE2 4.38Å; L859-F956 HydrophobicContact CB-CZ 3.81Å; L859-F956 HydrophobicContact CD1-CD1 3.9Å; L859-F956 HydrophobicContact CD1-CE1 4.21Å; L859-F956 HydrophobicContact CD1-CG 4.43Å; L859-L958 HydrophobicContact CD1-CD2 3.86Å; L859-L958 HydrophobicContact CD2-CD2 4.01Å; L859-L1030 HydrophobicContact CD1-CD1 4Å; L859-L1030 HydrophobicContact CD1-CD2 3.61Å; L859-L1030 HydrophobicContact CD1-CG 4.47Å; L859-L1030 HydrophobicContact CG-CD1 4.39Å
860L98.5Very high95Very high1 Ų132.6 Ų32.61%0.00519%0.185CC..Hα-helixtrans-65.1-41.4174.6-74.6162.1000112.1M856 L857 A863 R864 F956 V991 I1016 C1019 V1025 I1026M856-L860 HydrophobicContact CG-CD1 4.38Å; M856-L860 WeakPolarHBondContact O-CG 3.29Å; M856-L860 PolarHBondContact O-N 3.09Å; L857-L860 PolarHBondContact O-N 3.41Å; L860-A863 PolarHBondContact O-N 3.42Å; L860-R864 WeakPolarHBondContact O-CB 3.42Å; L860-R864 PolarHBondContact O-N 2.85Å; L860-F956 HydrophobicContact CD2-CE1 4.49Å; L860-F956 HydrophobicContact CD2-CZ 3.86Å; L860-F956 HydrophobicContact CG-CE1 4.32Å; L860-F956 HydrophobicContact CG-CZ 3.93Å; L860-V991 HydrophobicContact CD2-CG2 4.19Å; L860-I1016 HydrophobicContact CD2-CG2 4.22Å; L860-C1019 WeakPolarHBondContact CD1-O 3.38Å; L860-C1019 HydrophobicContact CD2-CB 3.67Å; L860-V1025 HydrophobicContact CD1-CG1 4.02Å; L860-I1026 HydrophobicContact CD1-CG2 3.89Å
861H98.5Very high95.7Very high67 Ų6729.1 Ų29.131%0.3117%0.169SC..Hα-helixtrans-61.9-46.9173.9-72.5158.3000112.3L857 D858 A863 R864 D865L857-H861 VanDerWaalsContact O-CG 3.31Å; L857-H861 PolarHBondContact O-N 2.87Å; L857-H861 PolarHBondContact O-ND1 2.87Å; D858-H861 PolarHBondContact O-N 3.37Å; H861-A863 VanDerWaalsContact C-N 3.32Å; H861-A863 PolarHBondContact O-N 3.42Å; H861-R864 PolarHBondContact CD2-NH1 3.16Å; H861-R864 PolarHBondContact O-N 3.02Å; H861-D865 VanDerWaalsContact O-CB 3.31Å; H861-D865 WeakPolarHBondContact O-CB 3.48Å; H861-D865 PolarHBondContact O-N 3.25Å
862V98.6Very high96.5Very high6 Ų627.2 Ų27.24%0.03615%0.151CC..Hα-helixtrans-60.4-41.3175.1168.60000111.6L837 D858 L859 D865 I866 L890 A899 I955L837-V862 HydrophobicContact CD1-CG1 3.64Å; L837-V862 HydrophobicContact CD1-CG2 4.45Å; L837-V862 HydrophobicContact CD2-CG1 3.5Å; L837-V862 VanDerWaalsContact CD2-CG1 3.5Å; L837-V862 HydrophobicContact CG-CG1 4.23Å; D858-V862 WeakPolarHBondContact O-CG2 3.42Å; D858-V862 PolarHBondContact O-N 3.12Å; L859-V862 PolarHBondContact O-N 3.45Å; V862-D865 PolarHBondContact O-N 2.6Å; V862-I866 PolarHBondContact O-N 3.05Å; V862-I866 VanDerWaalsContact O-N 3.16Å; V862-L890 HydrophobicContact CG2-CD2 4.26Å; V862-A899 HydrophobicContact CB-CB 4.43Å; V862-A899 HydrophobicContact CG1-CB 4.01Å; V862-A899 HydrophobicContact CG2-CB 4.42Å; V862-I955 HydrophobicContact CG1-CD1 3.93Å; V862-I955 HydrophobicContact CG1-CG1 4.28Å
863A98.7Very high97Very high0 Ų022.2 Ų22.20%012%0.116CC..Hα-helixtrans-64.4-46.2177.300000112.3L859 L860 H861 A867 F948 L952 I955 F956 I1016L859-A863 WeakPolarHBondContact O-CB 3.47Å; L859-A863 PolarHBondContact O-N 3.12Å; L860-A863 PolarHBondContact O-N 3.42Å; H861-A863 VanDerWaalsContact C-N 3.32Å; H861-A863 PolarHBondContact O-N 3.42Å; A863-A867 VanDerWaalsContact O-CB 3.3Å; A863-A867 WeakPolarHBondContact O-CB 3.34Å; A863-A867 PolarHBondContact O-N 3.44Å; A863-F948 WeakPolarHBondContact O-CZ 3.32Å; A863-L952 HydrophobicContact CB-CD2 3.6Å; A863-I955 HydrophobicContact CB-CD1 4.25Å; A863-F956 HydrophobicContact CB-CE2 4.27Å; A863-I1016 HydrophobicContact CB-CD1 4.14Å
864R98.8Very high97.3Very high73 Ų7322.7 Ų22.728%0.27512%0.116SC..Hα-helixtrans-58.7-49174.8-179.5-157.863.7-150.6-8.2110.9L860 H861 I866 A867 C868 L1013 I1016L860-R864 WeakPolarHBondContact O-CB 3.42Å; L860-R864 PolarHBondContact O-N 2.85Å; H861-R864 PolarHBondContact CD2-NH1 3.16Å; H861-R864 PolarHBondContact O-N 3.02Å; R864-I866 PolarHBondContact O-N 3.11Å; R864-A867 CarbonylContact O-C 3.56Å; R864-A867 WeakPolarHBondContact O-CB 3.48Å; R864-A867 PolarHBondContact O-N 3.38Å; R864-A867 VanDerWaalsContact O-N 3.1Å; R864-C868 PolarHBondContact O-N 3.48Å; R864-C868 PolarHBondContact O-SG 3.03Å; R864-C868 VanDerWaalsContact O-SG 3.39Å; R864-L1013 HydrophobicContact CG-CD2 3.83Å; R864-I1016 HydrophobicContact CB-CG2 3.85Å
865D98.7Very high97.2Very high9 Ų927.7 Ų27.75%0.04814%0.139CC..Hα-helixtrans-56.7-49.6-178-80.211000111.9N811 H861 V862 C868 G869 V898 A899N811-D865 WeakPolarHBondContact CB-O 3.46Å; N811-D865 VanDerWaalsContact ND2-CB 3.33Å; N811-D865 WeakPolarHBondContact ND2-CB 3.25Å; N811-D865 PolarHBondContact ND2-O 3.05Å; N811-D865 PolarHBondContact OD1-O 2.76Å; H861-D865 VanDerWaalsContact O-CB 3.31Å; H861-D865 WeakPolarHBondContact O-CB 3.48Å; H861-D865 PolarHBondContact O-N 3.25Å; V862-D865 PolarHBondContact O-N 2.6Å; D865-C868 PolarHBondContact O-N 3.4Å; D865-G869 PolarHBondContact O-N 3.09Å; D865-G869 VanDerWaalsContact O-N 3.14Å; D865-V898 WeakPolarHBondContact OD2-CA 3.4Å; D865-A899 HydrophobicContact CB-CB 3.84Å; D865-A899 PolarHBondContact OD2-N 3.24Å
866I98.8Very high96.8Very high0 Ų027.7 Ų27.70%013%0.133CC..Hα-helixtrans-69-34.5176-58-59.6000111.6V862 R864 C868 G869 C870 C888 A899 I901 F948 L951V862-I866 PolarHBondContact O-N 3.05Å; V862-I866 VanDerWaalsContact O-N 3.16Å; R864-I866 PolarHBondContact O-N 3.11Å; I866-C868 VanDerWaalsContact C-N 3.35Å; I866-C868 PolarHBondContact O-N 2.94Å; I866-G869 CarbonylContact O-C 3.42Å; I866-G869 WeakPolarHBondContact O-CA 3.39Å; I866-G869 PolarHBondContact O-N 3.23Å; I866-G869 VanDerWaalsContact O-N 3.09Å; I866-C870 PolarHBondContact O-N 2.92Å; I866-C870 PolarHBondContact O-SG 3.33Å; I866-C870 VanDerWaalsContact O-SG 3.35Å; I866-C888 HydrophobicContact CD1-CB 3.94Å; I866-C888 HydrophobicContact CG1-CB 4.36Å; I866-A899 HydrophobicContact CD1-CB 3.77Å; I866-A899 HydrophobicContact CG1-CB 3.91Å; I866-I901 HydrophobicContact CD1-CG1 4.24Å; I866-I901 HydrophobicContact CG2-CG1 4.16Å; I866-F948 HydrophobicContact CB-CE2 4.3Å; I866-F948 HydrophobicContact CG2-CD2 4.36Å; I866-F948 HydrophobicContact CG2-CE2 4.25Å; I866-L951 HydrophobicContact CB-CD2 4.09Å; I866-L951 HydrophobicContact CG1-CD2 4.41Å; I866-L951 HydrophobicContact CG2-CD2 3.53Å
867A98.7Very high96.2Very high0 Ų032.7 Ų32.70%016%0.156CC..Hα-helixtrans-63-37.3174.700000112.8A863 R864 G869 C870 Q871 F948 F1009 I1012 L1013 I1016A863-A867 VanDerWaalsContact O-CB 3.3Å; A863-A867 WeakPolarHBondContact O-CB 3.34Å; A863-A867 PolarHBondContact O-N 3.44Å; R864-A867 CarbonylContact O-C 3.56Å; R864-A867 WeakPolarHBondContact O-CB 3.48Å; R864-A867 PolarHBondContact O-N 3.38Å; R864-A867 VanDerWaalsContact O-N 3.1Å; A867-G869 VanDerWaalsContact C-N 3.34Å; A867-C870 PolarHBondContact O-N 3.22Å; A867-Q871 WeakPolarHBondContact O-CB 3.34Å; A867-Q871 PolarHBondContact O-N 3.11Å; A867-F948 HydrophobicContact CB-CE1 4.42Å; A867-F948 HydrophobicContact CB-CE2 3.86Å; A867-F948 HydrophobicContact CB-CZ 3.69Å; A867-F1009 HydrophobicContact CB-CD1 4.48Å; A867-I1012 HydrophobicContact CB-CG2 4.14Å; A867-L1013 HydrophobicContact CB-CD2 3.6Å; A867-L1013 HydrophobicContact CB-CG 3.83Å; A867-I1016 HydrophobicContact CB-CD1 4.02Å
868C98.6Very high95.6Very high25 Ų2529.7 Ų29.717%0.16914%0.14CC..Hα-helixtrans-63.1-40.9170.1-66.50000111.4H809 N811 R864 D865 I866 Q871 Y872 L1013H809-C868 VanDerWaalsContact CE1-C 3.48Å; H809-C868 PolarHBondContact CE1-O 3.3Å; N811-C868 WeakPolarHBondContact OD1-CB 3.48Å; R864-C868 PolarHBondContact O-N 3.48Å; R864-C868 PolarHBondContact O-SG 3.03Å; R864-C868 VanDerWaalsContact O-SG 3.39Å; D865-C868 PolarHBondContact O-N 3.4Å; I866-C868 VanDerWaalsContact C-N 3.35Å; I866-C868 PolarHBondContact O-N 2.94Å; C868-Q871 PolarHBondContact O-N 3.04Å; C868-Y872 PolarHBondContact O-N 3.45Å; C868-Y872 VanDerWaalsContact O-N 3.14Å; C868-L1013 VanDerWaalsContact SG-CD2 3.51Å
869G97.8Very high95.1Very high0 Ų027.8 Ų27.80%013%0.13CC..Hα-helixtrans-56.9-47.5172.100000112.4D865 I866 A867 Y872 L873D865-G869 PolarHBondContact O-N 3.09Å; D865-G869 VanDerWaalsContact O-N 3.14Å; I866-G869 CarbonylContact O-C 3.42Å; I866-G869 WeakPolarHBondContact O-CA 3.39Å; I866-G869 PolarHBondContact O-N 3.23Å; I866-G869 VanDerWaalsContact O-N 3.09Å; A867-G869 VanDerWaalsContact C-N 3.34Å; G869-Y872 PolarHBondContact O-N 3.23Å; G869-L873 WeakPolarHBondContact O-CG 3.21Å; G869-L873 PolarHBondContact O-N 2.77Å
870C97.9Very high94.8Very high3 Ų327.8 Ų27.82%0.0213%0.13CC..Hα-helixtrans-70-36178.6-64.60000113.6I866 A867 Y872 L873 E874 I883 F1009I866-C870 PolarHBondContact O-N 2.92Å; I866-C870 PolarHBondContact O-SG 3.33Å; I866-C870 VanDerWaalsContact O-SG 3.35Å; A867-C870 PolarHBondContact O-N 3.22Å; C870-Y872 VanDerWaalsContact C-N 3.33Å; C870-Y872 PolarHBondContact O-N 3.5Å; C870-L873 PolarHBondContact O-N 3.4Å; C870-L873 VanDerWaalsContact O-N 3.17Å; C870-E874 PolarHBondContact O-N 3.1Å; C870-I883 VanDerWaalsContact SG-CD1 3.58Å; C870-F1009 HydrophobicContact CB-CD1 3.39Å; C870-F1009 HydrophobicContact CB-CD2 3.82Å; C870-F1009 HydrophobicContact CB-CE1 3.24Å; C870-F1009 HydrophobicContact CB-CE2 3.68Å; C870-F1009 HydrophobicContact CB-CG 3.68Å; C870-F1009 HydrophobicContact CB-CZ 3.4Å
871Q98.2Very high94.3Very high51 Ų5129.1 Ų29.124%0.23814%0.135CC..Hα-helixtrans-57.4-48.1172.8-177.2-173.1-400110.6A867 C868 L873 E874 E875 F1009 L1013A867-Q871 WeakPolarHBondContact O-CB 3.34Å; A867-Q871 PolarHBondContact O-N 3.11Å; C868-Q871 PolarHBondContact O-N 3.04Å; Q871-L873 VanDerWaalsContact C-N 3.26Å; Q871-L873 PolarHBondContact O-N 2.95Å; Q871-E874 PolarHBondContact O-N 3.45Å; Q871-E874 VanDerWaalsContact O-N 3.16Å; Q871-E875 HydrophobicContact CG-CG 4.29Å; Q871-E875 WeakPolarHBondContact CG-OE1 3.35Å; Q871-E875 PolarHBondContact NE2-OE1 2.95Å; Q871-E875 WeakPolarHBondContact O-CB 3.45Å; Q871-E875 WeakPolarHBondContact O-CG 3.4Å; Q871-E875 PolarHBondContact O-N 3.22Å; Q871-F1009 HydrophobicContact CB-CB 3.76Å; Q871-F1009 HydrophobicContact CG-CB 4.42Å; Q871-L1013 HydrophobicContact CB-CD1 4.13Å
872Y96.4Very high94Very high40 Ų4026.7 Ų26.716%0.15712%0.124CC..Hα-helixtrans-59.3-36.5177.4173.6-92.9000112.3F807 N808 H809 I812 C868 G869 C870 N876F807-Y872 HydrophobicContact CB-CE1 4.1Å; F807-Y872 AromaticContact CD1-CE1 3.8Å; F807-Y872 HydrophobicContact CD1-CE1 3.8Å; F807-Y872 HydrophobicContact CG-CE1 4.27Å; N808-Y872 PolarHBondContact N-OH 3.48Å; N808-Y872 VanDerWaalsContact N-OH 3.08Å; H809-Y872 HydrophobicContact CB-CD1 3.67Å; H809-Y872 HydrophobicContact CB-CD2 3.85Å; H809-Y872 HydrophobicContact CB-CE1 3.86Å; H809-Y872 HydrophobicContact CB-CE2 4.05Å; H809-Y872 HydrophobicContact CB-CG 3.64Å; H809-Y872 AromaticContact CG-CG 3.72Å; I812-Y872 HydrophobicContact CD1-CD1 3.54Å; I812-Y872 HydrophobicContact CD1-CE1 3.86Å; C868-Y872 PolarHBondContact O-N 3.45Å; C868-Y872 VanDerWaalsContact O-N 3.14Å; G869-Y872 PolarHBondContact O-N 3.23Å; C870-Y872 VanDerWaalsContact C-N 3.33Å; C870-Y872 PolarHBondContact O-N 3.5Å; Y872-N876 WeakPolarHBondContact CE2-ND2 3.48Å; Y872-N876 WeakPolarHBondContact O-CB 3.3Å; Y872-N876 PolarHBondContact O-N 2.96Å; Y872-N876 VanDerWaalsContact O-N 3.1Å; Y872-N876 PolarHBondContact O-ND2 3.28Å
873L92.9Very high93.9Very high2 Ų226.4 Ų26.41%0.0112%0.123CC..Hα-helixtrans-69.8-42.2174.4-62.5-179.2000112.5F807 I812 G869 C870 Q871 N876 H877 F878 H880 I901 F904F807-L873 HydrophobicContact CD1-CD2 4.12Å; F807-L873 HydrophobicContact CE1-CD2 3.72Å; F807-L873 HydrophobicContact CE2-CD2 4.18Å; F807-L873 HydrophobicContact CZ-CD2 3.78Å; I812-L873 HydrophobicContact CD1-CD2 3.74Å; I812-L873 HydrophobicContact CD1-CG 4.18Å; G869-L873 WeakPolarHBondContact O-CG 3.21Å; G869-L873 PolarHBondContact O-N 2.77Å; C870-L873 PolarHBondContact O-N 3.4Å; C870-L873 VanDerWaalsContact O-N 3.17Å; Q871-L873 VanDerWaalsContact C-N 3.26Å; Q871-L873 PolarHBondContact O-N 2.95Å; L873-N876 CarbonylContact O-C 3.56Å; L873-N876 PolarHBondContact O-N 3.07Å; L873-H877 PolarHBondContact O-N 3.01Å; L873-H877 VanDerWaalsContact O-N 3.09Å; L873-F878 CarbonylContact C-O 3.52Å; L873-F878 HydrophobicContact CD2-CD1 3.99Å; L873-F878 PolarHBondContact O-N 2.92Å; L873-H880 HydrophobicContact CD1-CB 4.12Å; L873-I901 HydrophobicContact CD1-CD1 3.99Å; L873-F904 HydrophobicContact CD1-CE1 4.08Å; L873-F904 HydrophobicContact CD2-CE1 4.25Å
874E93Very high93.8Very high36 Ų3626.4 Ų26.417%0.16812%0.123CC..Hα-helixtrans-60.7-46.9175.8175.3167.3-134.800111.9C870 Q871 N876 H877 S941 N1008 F1009C870-E874 PolarHBondContact O-N 3.1Å; Q871-E874 PolarHBondContact O-N 3.45Å; Q871-E874 VanDerWaalsContact O-N 3.16Å; E874-N876 VanDerWaalsContact C-N 3.33Å; E874-N876 PolarHBondContact O-N 3.09Å; E874-H877 PolarHBondContact O-N 2.7Å; E874-H877 VanDerWaalsContact O-N 3.08Å; E874-H877 PolarHBondContact O-ND1 2.71Å; E874-S941 WeakPolarHBondContact OE1-CB 3.31Å; E874-N1008 WeakPolarHBondContact OE2-CB 3.48Å; E874-F1009 HydrophobicContact CB-CD2 4.24Å; E874-F1009 WeakPolarHBondContact OE2-CD2 3.35Å; E874-F1009 PolarHBondContact OE2-N 3.32Å
875E92.3Very high93.8Very high114 Ų11423 Ų2353%0.53311%0.109SC..Hα-helixtrans-65-33.4177.4-72.2177.6177.100112.9Q871 H877Q871-E875 HydrophobicContact CG-CG 4.29Å; Q871-E875 WeakPolarHBondContact CG-OE1 3.35Å; Q871-E875 PolarHBondContact NE2-OE1 2.95Å; Q871-E875 WeakPolarHBondContact O-CB 3.45Å; Q871-E875 WeakPolarHBondContact O-CG 3.4Å; Q871-E875 PolarHBondContact O-N 3.22Å; E875-H877 VanDerWaalsContact C-N 3.28Å
876N87.2Confident93.5Very high45 Ų4526.7 Ų26.724%0.24112%0.123CC..THydrogen-bonded Turntrans-89.412.9174-71.6-95.7000113.4F731 Y872 L873 E874 F878F731-N876 HydrophobicContact CE2-CB 3.83Å; F731-N876 HydrophobicContact CZ-CB 3.55Å; Y872-N876 WeakPolarHBondContact CE2-ND2 3.48Å; Y872-N876 WeakPolarHBondContact O-CB 3.3Å; Y872-N876 PolarHBondContact O-N 2.96Å; Y872-N876 VanDerWaalsContact O-N 3.1Å; Y872-N876 PolarHBondContact O-ND2 3.28Å; L873-N876 CarbonylContact O-C 3.56Å; L873-N876 PolarHBondContact O-N 3.07Å; E874-N876 VanDerWaalsContact C-N 3.33Å; E874-N876 PolarHBondContact O-N 3.09Å; N876-F878 VanDerWaalsContact C-N 3.33Å; N876-F878 PolarHBondContact O-N 3.3Å
877H83.9Confident93.3Very high108 Ų10827.5 Ų27.550%0.513%0.127SC..THydrogen-bonded Turntrans57.441173.6-58.8-14.5000113.9L873 E874 E875 I910L873-H877 PolarHBondContact O-N 3.01Å; L873-H877 VanDerWaalsContact O-N 3.09Å; E874-H877 PolarHBondContact O-N 2.7Å; E874-H877 VanDerWaalsContact O-N 3.08Å; E874-H877 PolarHBondContact O-ND1 2.71Å; E875-H877 VanDerWaalsContact C-N 3.28Å; H877-I910 HydrophobicContact CB-CD1 4.07Å; H877-I910 WeakPolarHBondContact O-CD1 3.47Å; H877-I910 VanDerWaalsContact O-CG1 3.28Å; H877-I910 WeakPolarHBondContact O-CG1 3.4Å
878F85.1Confident93.3Very high1 Ų127.6 Ų27.60%0.00413%0.128CC..EExtended strand (participates in β ladder)trans-124.1133.8-176.5-170.1-94000111.1Y729 F731 I803 F807 L873 N876 F904 A907 D909Y729-F878 VanDerWaalsContact OH-CE2 3.23Å; Y729-F878 WeakPolarHBondContact OH-CE2 3.31Å; F731-F878 HydrophobicContact CE2-CB 4.34Å; I803-F878 HydrophobicContact CD1-CZ 4.24Å; I803-F878 HydrophobicContact CG1-CE2 4.4Å; I803-F878 HydrophobicContact CG1-CZ 4.25Å; I803-F878 HydrophobicContact CG2-CE1 4.18Å; I803-F878 HydrophobicContact CG2-CE2 4.29Å; I803-F878 HydrophobicContact CG2-CZ 3.57Å; F807-F878 HydrophobicContact CE1-CD1 4.27Å; F807-F878 HydrophobicContact CE1-CG 4.3Å; F807-F878 HydrophobicContact CE2-CD1 4.46Å; F807-F878 HydrophobicContact CE2-CE1 4.07Å; F807-F878 HydrophobicContact CE2-CZ 4.47Å; F807-F878 AromaticContact CZ-CD1 3.57Å; F807-F878 HydrophobicContact CZ-CD1 3.57Å; F807-F878 HydrophobicContact CZ-CD2 4.23Å; F807-F878 AromaticContact CZ-CE1 3.51Å; F807-F878 HydrophobicContact CZ-CE1 3.51Å; F807-F878 HydrophobicContact CZ-CE2 4.22Å; F807-F878 AromaticContact CZ-CG 3.92Å; F807-F878 HydrophobicContact CZ-CG 3.92Å; F807-F878 AromaticContact CZ-CZ 3.88Å; F807-F878 HydrophobicContact CZ-CZ 3.88Å; L873-F878 CarbonylContact C-O 3.52Å; L873-F878 HydrophobicContact CD2-CD1 3.99Å; L873-F878 PolarHBondContact O-N 2.92Å; N876-F878 VanDerWaalsContact C-N 3.33Å; N876-F878 PolarHBondContact O-N 3.3Å; F878-F904 HydrophobicContact CE1-CD1 4.12Å; F878-F904 HydrophobicContact CE1-CE1 4.48Å; F878-A907 HydrophobicContact CE1-CB 3.41Å; F878-A907 VanDerWaalsContact CE1-CB 3.41Å; F878-A907 HydrophobicContact CZ-CB 3.65Å; F878-D909 HydrophobicContact CD2-CB 4.41Å
879I86.9Confident93.2Very high0 Ų028.6 Ų28.60%013%0.131CC..EExtended strand (participates in β ladder)trans-107.4123.3-176.6-49.5162.7000109.3R881 A907 R908 I910 F939 D944I879-R881 HydrophobicContact CB-CG 4.21Å; I879-R881 HydrophobicContact CG2-CG 3.66Å; I879-A907 CarbonylContact O-C 3.49Å; I879-A907 WeakPolarHBondContact O-CA 3.5Å; I879-R908 PolarHBondContact N-O 3.05Å; I879-R908 PolarHBondContact O-N 2.99Å; I879-I910 HydrophobicContact CD1-CD1 4.46Å; I879-I910 HydrophobicContact CD1-CG1 3.66Å; I879-I910 HydrophobicContact CG1-CD1 4.28Å; I879-I910 HydrophobicContact CG1-CG1 3.73Å; I879-F939 VanDerWaalsContact CD1-C 3.48Å; I879-F939 HydrophobicContact CD1-CB 4Å; I879-F939 VanDerWaalsContact CD1-O 3.27Å; I879-F939 WeakPolarHBondContact CD1-O 3.3Å; I879-D944 WeakPolarHBondContact CA-OD2 3.48Å; I879-D944 VanDerWaalsContact CG2-OD2 3.27Å; I879-D944 WeakPolarHBondContact CG2-OD2 3.21Å
880H91Very high93.2Very high3 Ų328.6 Ų28.61%0.01413%0.131CC..  trans-72.4-37.6179.3-162.6-86.8000113.1L873 D882 I883 I901 D903 F904 A907 D944L873-H880 HydrophobicContact CD1-CB 4.12Å; H880-D882 PolarHBondContact CE1-O 2.92Å; H880-D882 VanDerWaalsContact CE1-O 3.32Å; H880-D882 VanDerWaalsContact ND1-C 3.27Å; H880-D882 PolarHBondContact ND1-O 3.05Å; H880-D882 VanDerWaalsContact ND1-O 3.16Å; H880-D882 PolarHBondContact O-N 3.08Å; H880-I883 HydrophobicContact CB-CD1 3.66Å; H880-I883 HydrophobicContact CB-CG1 3.85Å; H880-I883 WeakPolarHBondContact ND1-CD1 3.5Å; H880-I901 WeakPolarHBondContact NE2-CG2 3.29Å; H880-D903 PolarHBondContact CE1-O 3.03Å; H880-D903 PolarHBondContact NE2-O 2.98Å; H880-D903 VanDerWaalsContact NE2-O 3.09Å; H880-F904 AromaticContact CD2-CD1 3.69Å; H880-F904 AromaticContact CD2-CE1 3.58Å; H880-F904 AromaticContact NE2-CD1 3.78Å; H880-F904 AromaticContact NE2-CE1 3.87Å; H880-A907 WeakPolarHBondContact O-CA 3.38Å; H880-A907 WeakPolarHBondContact O-CB 3.38Å; H880-D944 PolarHBondContact N-OD2 2.84Å
881R89.6Confident93.2Very high29 Ų2930.3 Ų30.311%0.10914%0.142CC..SBendtrans65.8-16.1179.1-50-172.6178.4-141.2-2.1116.4I879 F939 D944I879-R881 HydrophobicContact CB-CG 4.21Å; I879-R881 HydrophobicContact CG2-CG 3.66Å; R881-F939 HydrophobicContact CB-CD1 4.11Å; R881-F939 HydrophobicContact CB-CE1 4.16Å; R881-F939 HydrophobicContact CG-CD1 3.68Å; R881-F939 HydrophobicContact CG-CE1 4.17Å; R881-F939 HydrophobicContact CG-CG 4.42Å; R881-F939 VanDerWaalsContact NH1-CG 3.31Å; R881-D944 WeakPolarHBondContact CA-OD1 3.31Å; R881-D944 PolarHBondContact N-OD1 3.12Å
882D90.7Very high93.1Very high15 Ų1529.9 Ų29.98%0.0814%0.144CC..  trans-139.861.1176.1-165.124.3000112.7H880 A884 R886 N887 M906 P925H880-D882 PolarHBondContact CE1-O 2.92Å; H880-D882 VanDerWaalsContact CE1-O 3.32Å; H880-D882 VanDerWaalsContact ND1-C 3.27Å; H880-D882 PolarHBondContact ND1-O 3.05Å; H880-D882 VanDerWaalsContact ND1-O 3.16Å; H880-D882 PolarHBondContact O-N 3.08Å; D882-A884 PolarHBondContact O-N 3.23Å; D882-R886 IonicContact OD1-CZ 3.57Å; D882-R886 IonicContact OD1-NH2 3.49Å; D882-R886 PolarHBondContact OD1-NH2 2.86Å; D882-R886 IonicContact OD2-CZ 2.74Å; D882-R886 IonicContact OD2-NE 3.77Å; D882-R886 IonicContact OD2-NH2 3.21Å; D882-R886 PolarHBondContact OD2-NH2 2.76Å; D882-N887 PolarHBondContact O-ND2 3.06Å; D882-N887 PolarHBondContact OD2-ND2 3.06Å; D882-M906 HydrophobicContact CB-CB 4.2Å; D882-M906 HydrophobicContact CB-CG 4.42Å; D882-P925 HydrophobicContact CB-CG 4.22Å; D882-P925 WeakPolarHBondContact OD1-CB 3.29Å
883I97.4Very high92.9Very high1 Ų131.6 Ų31.61%0.00516%0.16CC..  trans-76106.8170.3-63.4-65.8000108.6C870 H880 I901 W928 D944 F948 L951C870-I883 VanDerWaalsContact SG-CD1 3.58Å; H880-I883 HydrophobicContact CB-CD1 3.66Å; H880-I883 HydrophobicContact CB-CG1 3.85Å; H880-I883 WeakPolarHBondContact ND1-CD1 3.5Å; I883-I901 HydrophobicContact CD1-CD1 3.98Å; I883-I901 HydrophobicContact CD1-CG1 4.49Å; I883-W928 VanDerWaalsContact O-CD1 3.26Å; I883-D944 HydrophobicContact CG1-CB 4.28Å; I883-F948 HydrophobicContact CG2-CB 4.32Å; I883-F948 HydrophobicContact CG2-CD2 4.39Å; I883-L951 HydrophobicContact CG2-CB 4.21Å; I883-L951 HydrophobicContact CG2-CD2 3.68Å
884A96.9Very high92.8Very high0 Ų032.9 Ų32.90%017%0.173CC..  trans-150.8157.2-176.900000110.9D882 R886 N887 C888 W928D882-A884 PolarHBondContact O-N 3.23Å; A884-R886 HydrophobicContact CB-CG 3.99Å; A884-R886 PolarHBondContact O-N 2.98Å; A884-R886 VanDerWaalsContact O-N 3.16Å; A884-N887 PolarHBondContact O-N 3.02Å; A884-C888 PolarHBondContact O-SG 2.92Å; A884-W928 HydrophobicContact CB-CD2 4.12Å; A884-W928 HydrophobicContact CB-CG 4.13Å; A884-W928 HydrophobicContact CB-CZ2 4.31Å
885A97.4Very high92.8Very high0 Ų037.1 Ų37.10%020%0.204CC..G310 helixtrans-61.4-29.9-174.600000113.2L837 K838 N887 C888 L951 E954L837-A885 WeakPolarHBondContact CB-O 2.94Å; L837-A885 HydrophobicContact CG-CB 4.48Å; K838-A885 HydrophobicContact CB-CB 3.9Å; K838-A885 HydrophobicContact CG-CB 4.33Å; K838-A885 PolarHBondContact N-O 3.45Å; A885-N887 VanDerWaalsContact C-N 3.28Å; A885-N887 PolarHBondContact O-N 3.18Å; A885-C888 PolarHBondContact O-N 3.09Å; A885-L951 HydrophobicContact CB-CD1 3.86Å; A885-E954 HydrophobicContact CB-CB 3.97Å; A885-E954 HydrophobicContact CB-CG 4.44Å; A885-E954 WeakPolarHBondContact CB-OE2 3.5Å; A885-E954 PolarHBondContact N-OE2 3.02Å
886R93.7Very high92.7Very high87 Ų8735 Ų3533%0.32821%0.213SC..G310 helixtrans-66.3-22.917555.9163.8-169-72.62.8114.6K838 D882 A884 W928K838-R886 HydrophobicContact CD-CB 4.5Å; D882-R886 IonicContact OD1-CZ 3.57Å; D882-R886 IonicContact OD1-NH2 3.49Å; D882-R886 PolarHBondContact OD1-NH2 2.86Å; D882-R886 IonicContact OD2-CZ 2.74Å; D882-R886 IonicContact OD2-NE 3.77Å; D882-R886 IonicContact OD2-NH2 3.21Å; D882-R886 PolarHBondContact OD2-NH2 2.76Å; A884-R886 HydrophobicContact CB-CG 3.99Å; A884-R886 PolarHBondContact O-N 2.98Å; A884-R886 VanDerWaalsContact O-N 3.16Å; R886-W928 VanDerWaalsContact NH1-CZ3 3.32Å
887N94.8Very high93.2Very high18 Ų1834.3 Ų34.310%0.09621%0.207CC..G310 helixtrans-101.15.4-178.3-58.6-11.1000111.4D882 A884 A885 G902 D903D882-N887 PolarHBondContact O-ND2 3.06Å; D882-N887 PolarHBondContact OD2-ND2 3.06Å; A884-N887 PolarHBondContact O-N 3.02Å; A885-N887 VanDerWaalsContact C-N 3.28Å; A885-N887 PolarHBondContact O-N 3.18Å; N887-G902 PolarHBondContact O-N 3.31Å; N887-D903 HydrophobicContact CB-CB 4.37Å
888C97.4Very high93.8Very high2 Ų231.6 Ų31.61%0.01420%0.198CC..EExtended strand (participates in β ladder)trans-107.8130.4176.7-59.20000108.8L837 I866 A884 A885 K900L837-C888 HydrophobicContact CB-CB 3.92Å; L837-C888 WeakPolarHBondContact CB-O 3.37Å; L837-C888 HydrophobicContact CD2-CB 3.81Å; L837-C888 PolarHBondContact N-O 3.29Å; I866-C888 HydrophobicContact CD1-CB 3.94Å; I866-C888 HydrophobicContact CG1-CB 4.36Å; A884-C888 PolarHBondContact O-SG 2.92Å; A885-C888 PolarHBondContact O-N 3.09Å; C888-K900 CarbonylContact C-O 3.59Å; C888-K900 VanDerWaalsContact CA-O 3.31Å; C888-K900 WeakPolarHBondContact CA-O 3.36Å
889L97.3Very high94.5Very high45 Ų4531.6 Ų31.624%0.23620%0.198CC..EExtended strand (participates in β ladder)trans-115.6156.3-179.3-54.7-176.5000111.1V813 M832 G835 D836 A899 K900V813-L889 HydrophobicContact CG2-CD1 4.24Å; M832-L889 HydrophobicContact CB-CB 3.66Å; M832-L889 HydrophobicContact CB-CD1 3.97Å; M832-L889 HydrophobicContact CB-CG 4.45Å; M832-L889 VanDerWaalsContact CE-C 3.49Å; M832-L889 HydrophobicContact CE-CB 3.9Å; M832-L889 VanDerWaalsContact CE-O 3.29Å; M832-L889 WeakPolarHBondContact CE-O 3.48Å; M832-L889 HydrophobicContact CG-CB 3.76Å; M832-L889 HydrophobicContact CG-CD1 3.91Å; G835-L889 WeakPolarHBondContact O-CA 3.29Å; D836-L889 HydrophobicContact CB-CD2 3.89Å; L889-A899 WeakPolarHBondContact O-CA 3.49Å; L889-K900 PolarHBondContact N-O 3.35Å; L889-K900 PolarHBondContact O-N 3.44Å
890L97.9Very high95Very high0 Ų032.5 Ų32.50%020%0.202CC..EExtended strand (participates in β ladder)trans-114138.3-179.8-69.6166000111.9M832 G834 G835 L837 F840 V862 C892 R897 A899M832-L890 CarbonylContact C-O 3.59Å; M832-L890 VanDerWaalsContact C-O 3.23Å; M832-L890 WeakPolarHBondContact CA-O 3.47Å; M832-L890 WeakPolarHBondContact CB-O 3.46Å; M832-L890 VanDerWaalsContact CE-C 3.4Å; G834-L890 VanDerWaalsContact CA-O 3.26Å; G834-L890 WeakPolarHBondContact CA-O 3.42Å; G834-L890 PolarHBondContact N-O 3.27Å; G835-L890 PolarHBondContact O-N 2.83Å; L837-L890 HydrophobicContact CD1-CD1 4.04Å; L837-L890 HydrophobicContact CD1-CG 4.47Å; F840-L890 HydrophobicContact CB-CD1 3.63Å; F840-L890 HydrophobicContact CD1-CD1 3.34Å; F840-L890 HydrophobicContact CD2-CD1 3.83Å; F840-L890 HydrophobicContact CE1-CD1 3.93Å; F840-L890 HydrophobicContact CE2-CD1 4.36Å; F840-L890 HydrophobicContact CG-CD1 3.28Å; F840-L890 HydrophobicContact CZ-CD1 4.41Å; V862-L890 HydrophobicContact CG2-CD2 4.26Å; L890-C892 VanDerWaalsContact C-N 3.32Å; L890-C892 PolarHBondContact O-N 2.76Å; L890-R897 HydrophobicContact CD2-CB 4.38Å; L890-R897 HydrophobicContact CD2-CG 4.17Å; L890-A899 HydrophobicContact CD2-CB 3.91Å
891T96.8Very high95.3Very high40 Ų4032.4 Ų32.425%0.24520%0.201CC..SBendtrans-63.5-37.3179.750.80000112.6M832 A833 V898M832-T891 HydrophobicContact CE-CG2 3.88Å; M832-T891 HydrophobicContact SD-CG2 4.07Å; A833-T891 PolarHBondContact N-O 3.31Å; T891-V898 HydrophobicContact CG2-CB 4.01Å; T891-V898 PolarHBondContact N-O 2.95Å; T891-V898 VanDerWaalsContact N-O 3.1Å; T891-V898 PolarHBondContact OG1-N 3.1Å
892C95.8Very high95.4Very high42 Ų4231.5 Ų31.528%0.28420%0.201SC..  trans-153164.7175.167.50000109.9L890 R897L890-C892 VanDerWaalsContact C-N 3.32Å; L890-C892 PolarHBondContact O-N 2.76Å; C892-R897 WeakPolarHBondContact O-CB 3.32Å
893P92.4Very high95.1Very high76 Ų7632.5 Ų32.549%0.49421%0.207SC..SBendtrans-80.9-26.1175.630.7-33.9000113.2F840 R897F840-P893 HydrophobicContact CD2-CB 4.43Å; F840-P893 HydrophobicContact CE2-CB 4.26Å; F840-P893 WeakPolarHBondContact CE2-O 3.36Å; P893-R897 PolarHBondContact O-NE 3.38Å; P893-R897 PolarHBondContact O-NH2 2.75Å
894G91.1Very high94.4Very high28 Ų2832.5 Ų32.529%0.28921%0.207SC..SBendtrans-75.8-177.4-174.700000115.1R897G894-R897 WeakPolarHBondContact O-CB 3.47Å; G894-R897 VanDerWaalsContact O-CZ 3.29Å; G894-R897 PolarHBondContact O-N 2.95Å; G894-R897 PolarHBondContact O-NE 3.36Å; G894-R897 VanDerWaalsContact O-NE 3.09Å; G894-R897 PolarHBondContact O-NH2 3.47Å
895P92.4Very high93.2Very high125 Ų12533.6 Ų33.681%0.81222%0.218SC*.THydrogen-bonded Turntrans-55.6146.4169.1-23.134.5000111.6R897P895-R897 VanDerWaalsContact C-N 3.33Å
896G91Very high91.9Very high70 Ų7037.3 Ų37.372%0.72224%0.236SC*.THydrogen-bonded Turntrans82.56-173.800000114.7
897R96.7Very high90.7Very high31 Ų3133.5 Ų33.512%0.11722%0.223CC..  trans-56.6140.9169.373.1-1727982.2-7111.7F840 D858 L890 C892 P893 G894 P895F840-R897 VanDerWaalsContact CZ-NE 3.31Å; D858-R897 IonicContact OD1-CZ 3.45Å; D858-R897 IonicContact OD1-NH1 3.36Å; D858-R897 PolarHBondContact OD1-NH1 2.9Å; L890-R897 HydrophobicContact CD2-CB 4.38Å; L890-R897 HydrophobicContact CD2-CG 4.17Å; C892-R897 WeakPolarHBondContact O-CB 3.32Å; P893-R897 PolarHBondContact O-NE 3.38Å; P893-R897 PolarHBondContact O-NH2 2.75Å; G894-R897 WeakPolarHBondContact O-CB 3.47Å; G894-R897 VanDerWaalsContact O-CZ 3.29Å; G894-R897 PolarHBondContact O-N 2.95Å; G894-R897 PolarHBondContact O-NE 3.36Å; G894-R897 VanDerWaalsContact O-NE 3.09Å; G894-R897 PolarHBondContact O-NH2 3.47Å; P895-R897 VanDerWaalsContact C-N 3.33Å
898V98.4Very high89.2Confident51 Ų5136.2 Ų36.231%0.30923%0.232SC..  trans-118.2133.6172.41750000108.1D865 T891 K900D865-V898 WeakPolarHBondContact OD2-CA 3.4Å; T891-V898 HydrophobicContact CG2-CB 4.01Å; T891-V898 PolarHBondContact N-O 2.95Å; T891-V898 VanDerWaalsContact N-O 3.1Å; T891-V898 PolarHBondContact OG1-N 3.1Å; V898-K900 HydrophobicContact CG1-CG 4.47Å
899A98.5Very high86.9Confident1 Ų137.2 Ų37.21%0.00824%0.238CC..EExtended strand (participates in β ladder)trans-89.6140.117600000111.4N811 V862 D865 I866 L889 L890N811-A899 PolarHBondContact ND2-O 2.87Å; V862-A899 HydrophobicContact CB-CB 4.43Å; V862-A899 HydrophobicContact CG1-CB 4.01Å; V862-A899 HydrophobicContact CG2-CB 4.42Å; D865-A899 HydrophobicContact CB-CB 3.84Å; D865-A899 PolarHBondContact OD2-N 3.24Å; I866-A899 HydrophobicContact CD1-CB 3.77Å; I866-A899 HydrophobicContact CG1-CB 3.91Å; L889-A899 WeakPolarHBondContact O-CA 3.49Å; L890-A899 HydrophobicContact CD2-CB 3.91Å
900K98.5Very high84.5Confident18 Ų1838 Ų388%0.07824%0.241CC..EExtended strand (participates in β ladder)trans-138148.9178-47.7-165.8-173.5-159.90112.6Q810 N811 V813 E830 M832 C888 L889 V898Q810-K900 VanDerWaalsContact O-CD 3.28Å; Q810-K900 WeakPolarHBondContact O-CD 3.18Å; Q810-K900 WeakPolarHBondContact O-CE 3.33Å; Q810-K900 PolarHBondContact O-NZ 3.44Å; N811-K900 CarbonylContact O-C 3.56Å; N811-K900 VanDerWaalsContact O-CA 3.26Å; N811-K900 WeakPolarHBondContact O-CA 3.17Å; V813-K900 HydrophobicContact CG2-CB 3.97Å; V813-K900 HydrophobicContact CG2-CD 4.47Å; E830-K900 IonicContact OE1-NZ 3.58Å; E830-K900 PolarHBondContact OE1-NZ 3.18Å; E830-K900 IonicContact OE2-NZ 3.51Å; E830-K900 PolarHBondContact OE2-NZ 2.92Å; M832-K900 HydrophobicContact CE-CB 3.85Å; M832-K900 HydrophobicContact CE-CD 3.79Å; M832-K900 HydrophobicContact CE-CG 3.56Å; M832-K900 HydrophobicContact SD-CD 3.98Å; M832-K900 HydrophobicContact SD-CG 4.41Å; C888-K900 CarbonylContact C-O 3.59Å; C888-K900 VanDerWaalsContact CA-O 3.31Å; C888-K900 WeakPolarHBondContact CA-O 3.36Å; L889-K900 PolarHBondContact N-O 3.35Å; L889-K900 PolarHBondContact O-N 3.44Å; V898-K900 HydrophobicContact CG1-CG 4.47Å
901I97.4Very high81.6Confident1 Ų147.2 Ų47.21%0.00528%0.277CS..EExtended strand (participates in β ladder)trans-73126.8168.8-56.6173.3000108.6N811 I812 V813 I866 L873 H880 I883 F904N811-I901 PolarHBondContact O-N 2.89Å; I812-I901 HydrophobicContact CG1-CB 4.42Å; V813-I901 WeakPolarHBondContact CG2-O 3.11Å; V813-I901 PolarHBondContact N-O 3.47Å; I866-I901 HydrophobicContact CD1-CG1 4.24Å; I866-I901 HydrophobicContact CG2-CG1 4.16Å; L873-I901 HydrophobicContact CD1-CD1 3.99Å; H880-I901 WeakPolarHBondContact NE2-CG2 3.29Å; I883-I901 HydrophobicContact CD1-CD1 3.98Å; I883-I901 HydrophobicContact CD1-CG1 4.49Å; I901-F904 HydrophobicContact CB-CZ 4.18Å; I901-F904 HydrophobicContact CG2-CE1 4.12Å; I901-F904 HydrophobicContact CG2-CE2 3.89Å; I901-F904 HydrophobicContact CG2-CZ 3.56Å
902G90.8Very high79.3Confident10 Ų1052 Ų5210%0.10329%0.291CS..  trans-129.3-13-166.400000118.1N887N887-G902 PolarHBondContact O-N 3.31Å
903D85.4Confident76.6Confident36 Ų3651.8 Ų51.819%0.19329%0.292CS..  trans-129.5120.7173.3-166.9-20.8000110.8K783 H880 N887 G905K783-D903 IonicContact NZ-OD1 2.76Å; K783-D903 IonicContact NZ-OD2 3.78Å; H880-D903 PolarHBondContact CE1-O 3.03Å; H880-D903 PolarHBondContact NE2-O 2.98Å; H880-D903 VanDerWaalsContact NE2-O 3.09Å; N887-D903 HydrophobicContact CB-CB 4.37Å; D903-G905 PolarHBondContact OD1-N 3.05Å
904F82.2Confident73.7Confident2 Ų253.1 Ų53.11%0.00930%0.303CS..  trans-108.510.7-176.8-72.2-93.2000113.4I803 I804 F807 I812 L873 F878 H880 I901 M906 A907I803-F904 HydrophobicContact CG2-CB 4.03Å; I803-F904 HydrophobicContact CG2-CD1 4.17Å; I803-F904 HydrophobicContact CG2-CG 4.26Å; I804-F904 HydrophobicContact CD1-CD2 3.9Å; I804-F904 HydrophobicContact CD1-CE2 4.14Å; I804-F904 HydrophobicContact CG1-CD2 4.21Å; I804-F904 HydrophobicContact CG1-CE2 4.32Å; F807-F904 HydrophobicContact CD2-CD1 4.34Å; F807-F904 AromaticContact CD2-CE1 3.8Å; F807-F904 HydrophobicContact CD2-CE1 3.8Å; F807-F904 HydrophobicContact CD2-CE2 4.4Å; F807-F904 AromaticContact CD2-CZ 3.84Å; F807-F904 HydrophobicContact CD2-CZ 3.84Å; F807-F904 AromaticContact CE2-CD1 3.6Å; F807-F904 HydrophobicContact CE2-CD1 3.6Å; F807-F904 AromaticContact CE2-CE1 3.33Å; F807-F904 HydrophobicContact CE2-CE1 3.33Å; F807-F904 HydrophobicContact CE2-CG 4.31Å; F807-F904 AromaticContact CE2-CZ 3.88Å; F807-F904 HydrophobicContact CE2-CZ 3.88Å; F807-F904 HydrophobicContact CZ-CD1 4.47Å; F807-F904 HydrophobicContact CZ-CE1 4.2Å; I812-F904 HydrophobicContact CD1-CZ 4.27Å; I812-F904 HydrophobicContact CG1-CZ 4.34Å; I812-F904 HydrophobicContact CG2-CE2 3.81Å; I812-F904 HydrophobicContact CG2-CZ 3.66Å; L873-F904 HydrophobicContact CD1-CE1 4.08Å; L873-F904 HydrophobicContact CD2-CE1 4.25Å; F878-F904 HydrophobicContact CE1-CD1 4.12Å; F878-F904 HydrophobicContact CE1-CE1 4.48Å; H880-F904 AromaticContact CD2-CD1 3.69Å; H880-F904 AromaticContact CD2-CE1 3.58Å; H880-F904 AromaticContact NE2-CD1 3.78Å; H880-F904 AromaticContact NE2-CE1 3.87Å; I901-F904 HydrophobicContact CB-CZ 4.18Å; I901-F904 HydrophobicContact CG2-CE1 4.12Å; I901-F904 HydrophobicContact CG2-CE2 3.89Å; I901-F904 HydrophobicContact CG2-CZ 3.56Å; F904-M906 PolarHBondContact O-N 3.49Å; F904-A907 HydrophobicContact CB-CB 4.26Å; F904-A907 HydrophobicContact CD1-CB 4.04Å; F904-A907 WeakPolarHBondContact O-CB 3.42Å; F904-A907 PolarHBondContact O-N 2.93Å
905G71.3Confident70.9Confident23 Ų2362.2 Ų62.224%0.23733%0.33CS..THydrogen-bonded Turntrans-58.8-17.7-172.900000116.4D903D903-G905 PolarHBondContact OD1-N 3.05Å
906M69.6Low68.2Low77 Ų7761.4 Ų61.438%0.37931%0.312SS..THydrogen-bonded Turntrans-102.6-7.9173.7-71.1-69.297.200114.5D882 F904D882-M906 HydrophobicContact CB-CB 4.2Å; D882-M906 HydrophobicContact CB-CG 4.42Å; F904-M906 PolarHBondContact O-N 3.49Å
907A68.1Low65.7Low7 Ų769.8 Ų69.86%0.05832%0.322CS..  trans-82.6149-164.600000113.7F878 I879 H880 F904F878-A907 HydrophobicContact CE1-CB 3.41Å; F878-A907 VanDerWaalsContact CE1-CB 3.41Å; F878-A907 HydrophobicContact CZ-CB 3.65Å; I879-A907 CarbonylContact O-C 3.49Å; I879-A907 WeakPolarHBondContact O-CA 3.5Å; H880-A907 WeakPolarHBondContact O-CA 3.38Å; H880-A907 WeakPolarHBondContact O-CB 3.38Å; F904-A907 HydrophobicContact CB-CB 4.26Å; F904-A907 HydrophobicContact CD1-CB 4.04Å; F904-A907 WeakPolarHBondContact O-CB 3.42Å; F904-A907 PolarHBondContact O-N 2.93Å
908R63Low63Low75 Ų7572.5 Ų72.528%0.28333%0.334SS..EExtended strand (participates in β ladder)trans-150.2144.2-174.4-59.7-172176.3-148-7113.8I879I879-R908 PolarHBondContact N-O 3.05Å; I879-R908 PolarHBondContact O-N 2.99Å
909D49.5Very low59.9Low24 Ų2474.1 Ų74.113%0.12836%0.361CS..EExtended strand (participates in β ladder)trans-56.6136.9162.4170.912.6000111.3F878 Y911 R912F878-D909 HydrophobicContact CD2-CB 4.41Å; D909-Y911 VanDerWaalsContact C-N 3.28Å; D909-Y911 PolarHBondContact O-N 3.03Å; D909-Y911 WeakPolarHBondContact OD1-CD2 3.2Å; D909-Y911 PolarHBondContact OD1-N 2.85Å; D909-R912 PolarHBondContact O-N 3Å
910I46.6Very low56.9Low62 Ų6276 Ų7632%0.31838%0.381SS..G310 helixtrans-55.3-41.2175.7-69177.3000111.4H877 I879 R912 A913H877-I910 HydrophobicContact CB-CD1 4.07Å; H877-I910 WeakPolarHBondContact O-CD1 3.47Å; H877-I910 VanDerWaalsContact O-CG1 3.28Å; H877-I910 WeakPolarHBondContact O-CG1 3.4Å; I879-I910 HydrophobicContact CD1-CD1 4.46Å; I879-I910 HydrophobicContact CD1-CG1 3.66Å; I879-I910 HydrophobicContact CG1-CD1 4.28Å; I879-I910 HydrophobicContact CG1-CG1 3.73Å; I910-R912 PolarHBondContact O-N 3.27Å; I910-R912 VanDerWaalsContact O-N 3.15Å; I910-A913 WeakPolarHBondContact O-CB 3.48Å; I910-A913 PolarHBondContact O-N 3.32Å
911Y38.5Very low53.9Low192 Ų19280.3 Ų80.375%0.75341%0.412SS*.G310 helixtrans-67.7-16.1-176.3-72-81.3000114.1D909D909-Y911 VanDerWaalsContact C-N 3.28Å; D909-Y911 PolarHBondContact O-N 3.03Å; D909-Y911 WeakPolarHBondContact OD1-CD2 3.2Å; D909-Y911 PolarHBondContact OD1-N 2.85Å
912R47.7Very low51.4Low142 Ų14281.9 Ų81.954%0.53643%0.425SS..G310 helixtrans-98.83.2172.8-83.3-175.5161.7-167.1-1.4114.2D909 I910 S914D909-R912 PolarHBondContact O-N 3Å; I910-R912 PolarHBondContact O-N 3.27Å; I910-R912 VanDerWaalsContact O-N 3.15Å; R912-S914 VanDerWaalsContact C-N 3.31Å; R912-S914 PolarHBondContact O-N 2.82Å
913A39Very low49.7Very low36 Ų3690.2 Ų90.230%0.29846%0.464SS..G310 helixtrans-69.8-23.7-17500000114.4I910 Y915I910-A913 WeakPolarHBondContact O-CB 3.48Å; I910-A913 PolarHBondContact O-N 3.32Å; A913-Y915 PolarHBondContact O-N 3.03Å
914S31.8Very low49Very low105 Ų10592.9 Ų92.973%0.73448%0.477SS*.G310 helixtrans-77.9-11.5-165.753.80000116.7R912R912-S914 VanDerWaalsContact C-N 3.31Å; R912-S914 PolarHBondContact O-N 2.82Å
915Y31.6Very low49.2Very low218 Ų21893.4 Ų93.486%0.85548%0.481SS*.G310 helixtrans-131.318.1-166.7-134.8-95.5000116.4A913A913-Y915 PolarHBondContact O-N 3.03Å
916Y35.8Very low50Low109 Ų10993.4 Ų93.443%0.42748%0.476SS..  trans-136.386.2-177-164-98000114.1K918Y916-K918 HydrophobicContact CD1-CB 4.11Å; Y916-K918 HydrophobicContact CE1-CB 3.51Å; Y916-K918 HydrophobicContact CE1-CD 3.85Å; Y916-K918 HydrophobicContact CE1-CG 3.69Å; Y916-K918 PolarHBondContact O-N 3.25Å
917R38.3Very low51.2Low245 Ų24590.5 Ų90.593%0.92546%0.462SS*.  trans-75.2111.6154.7-80.9-172.8-83.3-178.1-8.1108.1G919R917-G919 PolarHBondContact O-N 2.69Å
918K40.6Very low52.5Low89 Ų8991 Ų9139%0.38746%0.462SS..  trans-71.691.9177.2-164.2159.9-178168.40109.8Y916 G920 A922Y916-K918 HydrophobicContact CD1-CB 4.11Å; Y916-K918 HydrophobicContact CE1-CB 3.51Å; Y916-K918 HydrophobicContact CE1-CD 3.85Å; Y916-K918 HydrophobicContact CE1-CG 3.69Å; Y916-K918 PolarHBondContact O-N 3.25Å; K918-G920 VanDerWaalsContact C-N 3.32Å; K918-G920 PolarHBondContact O-N 3.25Å; K918-A922 HydrophobicContact CD-CB 3.64Å; K918-A922 HydrophobicContact CG-CB 4.31Å
919G33.9Very low53.9Low85 Ų8587.7 Ų87.788%0.87645%0.45SS*.  trans-68.282.9175.900000112.3R917R917-G919 PolarHBondContact O-N 2.69Å
920G35.2Very low56.1Low41 Ų4186.5 Ų86.542%0.42344%0.444SS..SBendtrans113.5146.716600000116.5K918 A922K918-G920 VanDerWaalsContact C-N 3.32Å; K918-G920 PolarHBondContact O-N 3.25Å; G920-A922 VanDerWaalsContact C-N 3.26Å; G920-A922 PolarHBondContact O-N 2.66Å
921C35.4Very low58.2Low108 Ų10883.8 Ų83.873%0.7343%0.43SS*.  trans52.22162.7-70.80000121.3K443K443-C921 PolarHBondContact NZ-SG 2.72Å
922A44.7Very low60.6Low34 Ų3475.6 Ų75.628%0.28140%0.399SS..  trans-75125.7161.500000110.4K918 G920 L924K918-A922 HydrophobicContact CD-CB 3.64Å; K918-A922 HydrophobicContact CG-CB 4.31Å; G920-A922 VanDerWaalsContact C-N 3.26Å; G920-A922 PolarHBondContact O-N 2.66Å; A922-L924 PolarHBondContact O-N 2.65Å; A922-L924 VanDerWaalsContact O-N 3.11Å
923M55.7Low62.5Low184 Ų18469.1 Ų69.191%0.90638%0.375SS*.  trans-72.3100.4170.4-69.3-17767.700109.3
924L71Confident64.3Low92 Ų9269.3 Ų69.348%0.48237%0.369SS..  trans-67.1141.4175.1-68.9176.2000110.9A922 V926 M929A922-L924 PolarHBondContact O-N 2.65Å; A922-L924 VanDerWaalsContact O-N 3.11Å; L924-V926 HydrophobicContact CB-CG2 4.17Å; L924-V926 PolarHBondContact O-N 3.16Å; L924-M929 HydrophobicContact CB-SD 3.94Å
925P85.6Confident66.4Low14 Ų1469.9 Ų69.99%0.09136%0.362CS..  trans-79.255.1179.535-37.5000111.5D882 K927 W928 M929D882-P925 HydrophobicContact CB-CG 4.22Å; D882-P925 WeakPolarHBondContact OD1-CB 3.29Å; P925-K927 PolarHBondContact O-N 3.05Å; P925-W928 HydrophobicContact CB-CE3 4.16Å; P925-W928 PolarHBondContact O-N 3.21Å; P925-M929 HydrophobicContact CG-CG 4.16Å; P925-M929 HydrophobicContact CG-SD 4.25Å; P925-M929 PolarHBondContact O-N 3.34Å
926V87.8Confident68.3Low22 Ų2266.1 Ų66.113%0.13335%0.352CS..G310 helixtrans-46.5-38.9-167-179.50000113.8L924 W928 M929 N968 L972L924-V926 HydrophobicContact CB-CG2 4.17Å; L924-V926 PolarHBondContact O-N 3.16Å; V926-W928 VanDerWaalsContact C-N 3.27Å; V926-W928 PolarHBondContact O-N 2.91Å; V926-M929 PolarHBondContact O-N 3.06Å; V926-M929 VanDerWaalsContact O-N 3.16Å; V926-N968 HydrophobicContact CB-CB 4.06Å; V926-N968 HydrophobicContact CG1-CB 4.18Å; V926-N968 HydrophobicContact CG2-CB 4.26Å; V926-L972 HydrophobicContact CG1-CB 4.42Å
927K95.1Very high70.2Confident16 Ų1663 Ų637%0.0735%0.353CS..G310 helixtrans-69.2-17.9-179.6-61.6-166.4164.6-158.90115.2P925 M961 P962 Y963 K966 V971P925-K927 PolarHBondContact O-N 3.05Å; K927-M961 HydrophobicContact CD-SD 4.31Å; K927-P962 HydrophobicContact CB-CB 4.42Å; K927-P962 WeakPolarHBondContact CD-O 3.47Å; K927-P962 PolarHBondContact NZ-O 3.35Å; K927-Y963 HydrophobicContact CB-CD2 4.28Å; K927-Y963 PolarHBondContact NZ-O 2.91Å; K927-Y963 VanDerWaalsContact NZ-O 3.14Å; K927-Y963 WeakPolarHBondContact O-CE2 3.47Å; K927-K966 VanDerWaalsContact CE-O 3.28Å; K927-K966 WeakPolarHBondContact CE-O 3.4Å; K927-K966 PolarHBondContact NZ-O 3.05Å; K927-V971 HydrophobicContact CD-CG2 4.46Å; K927-V971 HydrophobicContact CG-CG1 4.38Å; K927-V971 HydrophobicContact CG-CG2 4.24Å
928W96.3Very high72.1Confident19 Ų1955 Ų557%0.07233%0.328CS..G310 helixtrans-102.5-1.8174.2-63.5-101.9000112I883 A884 R886 P925 V926 W946 S947 V950 E954 M961 P962I883-W928 VanDerWaalsContact O-CD1 3.26Å; A884-W928 HydrophobicContact CB-CD2 4.12Å; A884-W928 HydrophobicContact CB-CG 4.13Å; A884-W928 HydrophobicContact CB-CZ2 4.31Å; R886-W928 VanDerWaalsContact NH1-CZ3 3.32Å; P925-W928 HydrophobicContact CB-CE3 4.16Å; P925-W928 PolarHBondContact O-N 3.21Å; V926-W928 VanDerWaalsContact C-N 3.27Å; V926-W928 PolarHBondContact O-N 2.91Å; W928-W946 VanDerWaalsContact O-CD1 3.28Å; W928-S947 WeakPolarHBondContact O-CA 3.41Å; W928-S947 PolarHBondContact O-OG 3.36Å; W928-V950 VanDerWaalsContact CD1-CG1 3.44Å; W928-V950 HydrophobicContact CD2-CG1 4.39Å; W928-V950 HydrophobicContact CG-CB 4.31Å; W928-V950 HydrophobicContact CG-CG1 3.93Å; W928-E954 PolarHBondContact NE1-OE2 2.86Å; W928-M961 HydrophobicContact CH2-SD 4.09Å; W928-P962 HydrophobicContact CH2-CG 4.47Å; W928-P962 HydrophobicContact CZ2-CG 3.79Å
929M92.8Very high74.1Confident4 Ų452.6 Ų52.62%0.0232%0.317CS..  trans-92.6143.8-177.6-67.7173.868.600112.7L924 P925 V926 A933 F934 F939 W946L924-M929 HydrophobicContact CB-SD 3.94Å; P925-M929 HydrophobicContact CG-CG 4.16Å; P925-M929 HydrophobicContact CG-SD 4.25Å; P925-M929 PolarHBondContact O-N 3.34Å; V926-M929 PolarHBondContact O-N 3.06Å; V926-M929 VanDerWaalsContact O-N 3.16Å; M929-A933 HydrophobicContact CB-CB 4.44Å; M929-A933 VanDerWaalsContact CE-C 3.49Å; M929-A933 HydrophobicContact CE-CB 3.73Å; M929-A933 VanDerWaalsContact CE-O 3.25Å; M929-A933 WeakPolarHBondContact CE-O 3.4Å; M929-F934 HydrophobicContact CB-CD1 3.86Å; M929-F934 HydrophobicContact CB-CE1 4.47Å; M929-F934 HydrophobicContact CE-CB 4.02Å; M929-F939 HydrophobicContact CE-CE1 4.35Å; M929-F939 HydrophobicContact CE-CZ 4.02Å; M929-W946 PolarHBondContact O-NE1 2.89Å; M929-W946 VanDerWaalsContact O-NE1 3.07Å
930P95.1Very high76.7Confident0 Ų050.9 Ų50.90%029%0.29CS..  trans-82.2167.8169.435.8-39000112.7E932 A933 F934 T943 W946P930-E932 WeakPolarHBondContact CB-OE2 3.37Å; P930-E932 WeakPolarHBondContact CG-OE1 3.44Å; P930-E932 PolarHBondContact O-N 2.93Å; P930-A933 HydrophobicContact CG-CB 3.84Å; P930-A933 PolarHBondContact O-N 3.27Å; P930-F934 VanDerWaalsContact O-CD1 3.27Å; P930-F934 WeakPolarHBondContact O-CD1 3.5Å; P930-F934 WeakPolarHBondContact O-CE1 3.25Å; P930-T943 HydrophobicContact CG-CG2 3.71Å; P930-W946 HydrophobicContact CB-CB 3.88Å; P930-W946 HydrophobicContact CB-CD2 3.51Å; P930-W946 HydrophobicContact CB-CE3 3.7Å; P930-W946 HydrophobicContact CB-CG 3.58Å; P930-W946 HydrophobicContact CB-CZ3 4.43Å; P930-W946 HydrophobicContact CG-CB 4.23Å; P930-W946 HydrophobicContact CG-CG 4.27Å
931P91.3Very high79.4Confident4 Ų449.9 Ų49.93%0.02628%0.276CS..Hα-helixtrans-48.7-51.5-180-28.735.1000115.2A933 F934 M935 V975P931-A933 PolarHBondContact O-N 2.9Å; P931-F934 HydrophobicContact CB-CZ 4.49Å; P931-F934 WeakPolarHBondContact O-CD2 3.41Å; P931-F934 PolarHBondContact O-N 3.21Å; P931-M935 HydrophobicContact CB-SD 4.19Å; P931-M935 VanDerWaalsContact O-CB 3.29Å; P931-M935 WeakPolarHBondContact O-CB 3.5Å; P931-M935 VanDerWaalsContact O-CG 3.32Å; P931-M935 WeakPolarHBondContact O-CG 3.45Å; P931-M935 PolarHBondContact O-N 3.08Å; P931-V975 HydrophobicContact CG-CG1 4.06Å
932E88.3Confident82.4Confident21 Ų2147 Ų4710%0.09825%0.251CS..Hα-helixtrans-64.1-28.1-174.673.8-74.1176.200113.1P930 E936 G937 I938 P1003 R1006P930-E932 WeakPolarHBondContact CB-OE2 3.37Å; P930-E932 WeakPolarHBondContact CG-OE1 3.44Å; P930-E932 PolarHBondContact O-N 2.93Å; E932-E936 CarbonylContact O-C 3.48Å; E932-E936 PolarHBondContact O-N 3.29Å; E932-G937 PolarHBondContact O-N 2.89Å; E932-I938 HydrophobicContact CB-CB 4.38Å; E932-I938 HydrophobicContact CG-CB 4.23Å; E932-I938 HydrophobicContact CG-CG2 4.42Å; E932-I938 PolarHBondContact O-N 2.93Å; E932-I938 VanDerWaalsContact O-N 3.15Å; E932-P1003 HydrophobicContact CG-CG 4.28Å; E932-R1006 IonicContact OE1-CZ 3.91Å; E932-R1006 IonicContact OE1-NH1 3.33Å; E932-R1006 PolarHBondContact OE1-NH1 2.85Å; E932-R1006 IonicContact OE1-NH2 3.42Å; E932-R1006 PolarHBondContact OE1-NH2 3.28Å; E932-R1006 IonicContact OE2-CZ 3.07Å; E932-R1006 IonicContact OE2-NH1 2.68Å; E932-R1006 IonicContact OE2-NH2 2.74Å; E932-R1006 PolarHBondContact OE2-NH2 2.78Å
933A86.3Confident84.7Confident5 Ų545.4 Ų45.44%0.04124%0.238CC..Hα-helixtrans-77.2-25.9-177.100000113.4M929 P930 P931 G937 I938 F939 T943M929-A933 HydrophobicContact CB-CB 4.44Å; M929-A933 VanDerWaalsContact CE-C 3.49Å; M929-A933 HydrophobicContact CE-CB 3.73Å; M929-A933 VanDerWaalsContact CE-O 3.25Å; M929-A933 WeakPolarHBondContact CE-O 3.4Å; P930-A933 HydrophobicContact CG-CB 3.84Å; P930-A933 PolarHBondContact O-N 3.27Å; P931-A933 PolarHBondContact O-N 2.9Å; A933-G937 WeakPolarHBondContact O-CA 3.35Å; A933-I938 VanDerWaalsContact CA-O 3.26Å; A933-I938 WeakPolarHBondContact CA-O 3.27Å; A933-I938 WeakPolarHBondContact CB-O 3.25Å; A933-F939 HydrophobicContact CB-CD1 4.42Å; A933-F939 HydrophobicContact CB-CE1 4.09Å; A933-F939 HydrophobicContact CB-CZ 4.19Å; A933-T943 HydrophobicContact CB-CG2 3.99Å
934F77.8Confident86.7Confident41 Ų4136.9 Ų36.918%0.1820%0.196CC..Hα-helixtrans-106.6-21.4174.656.3-116.7000114.4M929 P930 P931 L972 V975 T976M929-F934 HydrophobicContact CB-CD1 3.86Å; M929-F934 HydrophobicContact CB-CE1 4.47Å; M929-F934 HydrophobicContact CE-CB 4.02Å; P930-F934 VanDerWaalsContact O-CD1 3.27Å; P930-F934 WeakPolarHBondContact O-CD1 3.5Å; P930-F934 WeakPolarHBondContact O-CE1 3.25Å; P931-F934 HydrophobicContact CB-CZ 4.49Å; P931-F934 WeakPolarHBondContact O-CD2 3.41Å; P931-F934 PolarHBondContact O-N 3.21Å; F934-L972 HydrophobicContact CD2-CD1 3.98Å; F934-L972 HydrophobicContact CD2-CD2 4.42Å; F934-L972 HydrophobicContact CD2-CG 3.74Å; F934-L972 HydrophobicContact CE2-CD1 4.4Å; F934-L972 HydrophobicContact CE2-CD2 4.18Å; F934-L972 HydrophobicContact CE2-CG 3.65Å; F934-L972 HydrophobicContact CG-CD1 4.34Å; F934-L972 HydrophobicContact CG-CG 4.36Å; F934-L972 HydrophobicContact CZ-CG 4.15Å; F934-V975 HydrophobicContact CE1-CG1 4.39Å; F934-V975 HydrophobicContact CZ-CB 4.48Å; F934-V975 HydrophobicContact CZ-CG1 4.04Å; F934-T976 WeakPolarHBondContact CE2-OG1 3.23Å
935M75.2Confident88Confident116 Ų11632.5 Ų32.557%0.57117%0.174SC*.Hα-helixtrans-82-47.5173.8-67.8177.861.300112.1P931 T976P931-M935 HydrophobicContact CB-SD 4.19Å; P931-M935 VanDerWaalsContact O-CB 3.29Å; P931-M935 WeakPolarHBondContact O-CB 3.5Å; P931-M935 VanDerWaalsContact O-CG 3.32Å; P931-M935 WeakPolarHBondContact O-CG 3.45Å; P931-M935 PolarHBondContact O-N 3.08Å; M935-T976 HydrophobicContact CE-CG2 4.47Å; M935-T976 HydrophobicContact SD-CG2 3.75Å
936E72.7Confident88.6Confident140 Ų14031.9 Ų31.965%0.65417%0.169SC*.THydrogen-bonded Turntrans-113.5-16.5-171.1-57.5-173.4173.700112.5E932 I938E932-E936 CarbonylContact O-C 3.48Å; E932-E936 PolarHBondContact O-N 3.29Å; E936-I938 VanDerWaalsContact C-N 3.34Å; E936-I938 HydrophobicContact CB-CD1 4.05Å; E936-I938 HydrophobicContact CB-CG1 3.94Å; E936-I938 VanDerWaalsContact OE2-CD1 3.24Å; E936-I938 WeakPolarHBondContact OE2-CD1 3.34Å
937G75.7Confident89.1Confident43 Ų4330.9 Ų30.944%0.44316%0.163SC..  trans77.321-17600000113.2E932 A933 F939E932-G937 PolarHBondContact O-N 2.89Å; A933-G937 WeakPolarHBondContact O-CA 3.35Å; G937-F939 WeakPolarHBondContact O-CD2 3.34Å; G937-F939 WeakPolarHBondContact O-CE2 3.46Å
938I78.8Confident89.3Confident77 Ų7730.1 Ų30.140%0.39516%0.16SC..  trans-84.2132.9179.8-62.5-179.8000109.7E932 A933 E936 T940E932-I938 HydrophobicContact CB-CB 4.38Å; E932-I938 HydrophobicContact CG-CB 4.23Å; E932-I938 HydrophobicContact CG-CG2 4.42Å; E932-I938 PolarHBondContact O-N 2.93Å; E932-I938 VanDerWaalsContact O-N 3.15Å; A933-I938 VanDerWaalsContact CA-O 3.26Å; A933-I938 WeakPolarHBondContact CA-O 3.27Å; A933-I938 WeakPolarHBondContact CB-O 3.25Å; E936-I938 VanDerWaalsContact C-N 3.34Å; E936-I938 HydrophobicContact CB-CD1 4.05Å; E936-I938 HydrophobicContact CB-CG1 3.94Å; E936-I938 VanDerWaalsContact OE2-CD1 3.24Å; E936-I938 WeakPolarHBondContact OE2-CD1 3.34Å; I938-T940 HydrophobicContact CG2-CG2 4.29Å
939F82.6Confident89.4Confident39 Ų3929.2 Ų29.217%0.17116%0.156CC..  trans-128.6132.2177.4-66.4-100000109.3I879 R881 M929 A933 G937 T943I879-F939 VanDerWaalsContact CD1-C 3.48Å; I879-F939 HydrophobicContact CD1-CB 4Å; I879-F939 VanDerWaalsContact CD1-O 3.27Å; I879-F939 WeakPolarHBondContact CD1-O 3.3Å; R881-F939 HydrophobicContact CB-CD1 4.11Å; R881-F939 HydrophobicContact CB-CE1 4.16Å; R881-F939 HydrophobicContact CG-CD1 3.68Å; R881-F939 HydrophobicContact CG-CE1 4.17Å; R881-F939 HydrophobicContact CG-CG 4.42Å; R881-F939 VanDerWaalsContact NH1-CG 3.31Å; M929-F939 HydrophobicContact CE-CE1 4.35Å; M929-F939 HydrophobicContact CE-CZ 4.02Å; A933-F939 HydrophobicContact CB-CD1 4.42Å; A933-F939 HydrophobicContact CB-CE1 4.09Å; A933-F939 HydrophobicContact CB-CZ 4.19Å; G937-F939 WeakPolarHBondContact O-CD2 3.34Å; G937-F939 WeakPolarHBondContact O-CE2 3.46Å; F939-T943 WeakPolarHBondContact CA-OG1 3.44Å; F939-T943 HydrophobicContact CD1-CG2 3.91Å; F939-T943 HydrophobicContact CE1-CG2 4.46Å
940T88.1Confident89.7Confident49 Ų4929 Ų2930%0.30116%0.156SC..  trans-142.6175.4176.865.20000109.7I938 K942 T943I938-T940 HydrophobicContact CG2-CG2 4.29Å; T940-K942 PolarHBondContact O-N 3.22Å; T940-K942 WeakPolarHBondContact OG1-CB 3.43Å; T940-K942 PolarHBondContact OG1-N 2.67Å; T940-T943 PolarHBondContact N-OG1 2.98Å; T940-T943 WeakPolarHBondContact O-CA 3.44Å; T940-T943 WeakPolarHBondContact O-CB 3.39Å; T940-T943 PolarHBondContact O-N 3.08Å; T940-T943 PolarHBondContact O-OG1 3.17Å
941S91.9Very high89.9Confident20 Ų2029 Ų2914%0.1416%0.156CC..Hα-helixtrans-56.7-30.7169.6-40.80000112.4E874 T943 D944 T945E874-S941 WeakPolarHBondContact OE1-CB 3.31Å; S941-T943 PolarHBondContact O-N 3.36Å; S941-D944 PolarHBondContact O-N 3.35Å; S941-D944 VanDerWaalsContact O-N 3.08Å; S941-T945 PolarHBondContact O-N 3.14Å; S941-T945 PolarHBondContact O-OG1 3.05Å
942K96.9Very high90.2Very high46 Ų4628.9 Ų28.920%0.216%0.155CC..Hα-helixtrans-70.5-11.4174.4-55.9-59-16079.30113.6T940 P1003 E1004 R1006T940-K942 PolarHBondContact O-N 3.22Å; T940-K942 WeakPolarHBondContact OG1-CB 3.43Å; T940-K942 PolarHBondContact OG1-N 2.67Å; K942-P1003 HydrophobicContact CB-CB 3.91Å; K942-P1003 HydrophobicContact CG-CB 4.36Å; K942-P1003 VanDerWaalsContact CG-O 3.3Å; K942-P1003 WeakPolarHBondContact CG-O 3.41Å; K942-P1003 PolarHBondContact NZ-O 2.92Å; K942-E1004 PolarHBondContact NZ-O 3.36Å; K942-R1006 WeakPolarHBondContact CE-O 3.49Å; K942-R1006 PolarHBondContact NZ-O 3.36Å; K942-R1006 WeakPolarHBondContact O-CD 3.47Å; K942-R1006 PolarHBondContact O-NH1 3.48Å
943T94.5Very high90.7Very high1 Ų128.6 Ų28.61%0.00615%0.153CC..Hα-helixtrans-75.3-45.1166.7-51.50000110P930 A933 F939 T940 S941 T945 W946 S947P930-T943 HydrophobicContact CG-CG2 3.71Å; A933-T943 HydrophobicContact CB-CG2 3.99Å; F939-T943 WeakPolarHBondContact CA-OG1 3.44Å; F939-T943 HydrophobicContact CD1-CG2 3.91Å; F939-T943 HydrophobicContact CE1-CG2 4.46Å; T940-T943 PolarHBondContact N-OG1 2.98Å; T940-T943 WeakPolarHBondContact O-CA 3.44Å; T940-T943 WeakPolarHBondContact O-CB 3.39Å; T940-T943 PolarHBondContact O-N 3.08Å; T940-T943 PolarHBondContact O-OG1 3.17Å; S941-T943 PolarHBondContact O-N 3.36Å; T943-T945 VanDerWaalsContact C-N 3.32Å; T943-T945 PolarHBondContact O-N 2.68Å; T943-W946 WeakPolarHBondContact O-CB 3.41Å; T943-W946 PolarHBondContact O-N 3.26Å; T943-W946 VanDerWaalsContact O-N 3.14Å; T943-S947 PolarHBondContact O-N 3.5Å; T943-S947 VanDerWaalsContact O-N 3.11Å; T943-S947 PolarHBondContact O-OG 2.92Å; T943-S947 VanDerWaalsContact O-OG 3.11Å
944D96.7Very high91.3Very high6 Ų628.4 Ų28.43%0.03215%0.151CC..Hα-helixtrans-67.2-32.6174.3-67.7-28.9000112I879 H880 R881 I883 S941 W946 S947 F948 F1009I879-D944 WeakPolarHBondContact CA-OD2 3.48Å; I879-D944 VanDerWaalsContact CG2-OD2 3.27Å; I879-D944 WeakPolarHBondContact CG2-OD2 3.21Å; H880-D944 PolarHBondContact N-OD2 2.84Å; R881-D944 WeakPolarHBondContact CA-OD1 3.31Å; R881-D944 PolarHBondContact N-OD1 3.12Å; I883-D944 HydrophobicContact CG1-CB 4.28Å; S941-D944 PolarHBondContact O-N 3.35Å; S941-D944 VanDerWaalsContact O-N 3.08Å; D944-W946 VanDerWaalsContact C-N 3.28Å; D944-W946 PolarHBondContact O-N 3.04Å; D944-S947 PolarHBondContact O-N 2.96Å; D944-F948 WeakPolarHBondContact O-CB 3.31Å; D944-F948 PolarHBondContact O-N 3.04Å; D944-F1009 HydrophobicContact CB-CE2 4.16Å; D944-F1009 HydrophobicContact CB-CZ 4.24Å
945T98.6Very high92.3Very high0 Ų026.4 Ų26.40%014%0.142CC..Hα-helixtrans-52.1-45.6167.9-66.20000112.1S941 T943 F948 G949 C998 R1006 P1007 I1012S941-T945 PolarHBondContact O-N 3.14Å; S941-T945 PolarHBondContact O-OG1 3.05Å; T943-T945 VanDerWaalsContact C-N 3.32Å; T943-T945 PolarHBondContact O-N 2.68Å; T945-F948 PolarHBondContact O-N 2.77Å; T945-G949 PolarHBondContact O-N 3.13Å; T945-C998 HydrophobicContact CG2-CB 4.11Å; T945-C998 WeakPolarHBondContact O-CB 3.5Å; T945-R1006 HydrophobicContact CG2-CB 3.69Å; T945-P1007 HydrophobicContact CG2-CG 4.36Å; T945-P1007 WeakPolarHBondContact CG2-O 3.35Å; T945-P1007 PolarHBondContact OG1-O 2.99Å; T945-I1012 HydrophobicContact CG2-CD1 4.13Å
946W98.6Very high93.4Very high0 Ų021.1 Ų21.10%012%0.116CC..Hα-helixtrans-67.3-47.7179.8176.6-73.3000111W928 M929 P930 T943 D944 F948 G949 V950 V975 R980 W999W928-W946 VanDerWaalsContact O-CD1 3.28Å; M929-W946 PolarHBondContact O-NE1 2.89Å; M929-W946 VanDerWaalsContact O-NE1 3.07Å; P930-W946 HydrophobicContact CB-CB 3.88Å; P930-W946 HydrophobicContact CB-CD2 3.51Å; P930-W946 HydrophobicContact CB-CE3 3.7Å; P930-W946 HydrophobicContact CB-CG 3.58Å; P930-W946 HydrophobicContact CB-CZ3 4.43Å; P930-W946 HydrophobicContact CG-CB 4.23Å; P930-W946 HydrophobicContact CG-CG 4.27Å; T943-W946 WeakPolarHBondContact O-CB 3.41Å; T943-W946 PolarHBondContact O-N 3.26Å; T943-W946 VanDerWaalsContact O-N 3.14Å; D944-W946 VanDerWaalsContact C-N 3.28Å; D944-W946 PolarHBondContact O-N 3.04Å; W946-F948 PolarHBondContact O-N 3.13Å; W946-G949 WeakPolarHBondContact O-CA 3.4Å; W946-G949 PolarHBondContact O-N 3.49Å; W946-V950 PolarHBondContact O-N 3.12Å; W946-V950 VanDerWaalsContact O-N 3.09Å; W946-V975 HydrophobicContact CH2-CG1 3.62Å; W946-V975 HydrophobicContact CZ2-CG1 3.44Å; W946-V975 VanDerWaalsContact CZ2-CG1 3.44Å; W946-V975 HydrophobicContact CZ2-CG2 4.34Å; W946-R980 VanDerWaalsContact CH2-CZ 3.48Å; W946-W999 HydrophobicContact CD2-CB 4.47Å; W946-W999 AromaticContact CD2-CD1 3.74Å; W946-W999 HydrophobicContact CD2-CG 4.45Å; W946-W999 AromaticContact CE2-CD1 3.81Å; W946-W999 HydrophobicContact CE3-CB 4.07Å; W946-W999 HydrophobicContact CH2-CB 4.02Å; W946-W999 HydrophobicContact CZ2-CB 4.42Å; W946-W999 HydrophobicContact CZ2-CG 4.49Å; W946-W999 HydrophobicContact CZ3-CB 3.84Å; W946-W999 WeakPolarHBondContact CZ3-O 3.37Å; W946-W999 PolarHBondContact O-NE1 3.36Å
947S98.4Very high94.6Very high1 Ų115.2 Ų15.21%0.0079%0.09CC..Hα-helixtrans-55.4-41.3175.2-53.20000111.3W928 T943 D944 V950 L951W928-S947 WeakPolarHBondContact O-CA 3.41Å; W928-S947 PolarHBondContact O-OG 3.36Å; T943-S947 PolarHBondContact O-N 3.5Å; T943-S947 VanDerWaalsContact O-N 3.11Å; T943-S947 PolarHBondContact O-OG 2.92Å; T943-S947 VanDerWaalsContact O-OG 3.11Å; D944-S947 PolarHBondContact O-N 2.96Å; S947-V950 CarbonylContact O-C 3.6Å; S947-V950 WeakPolarHBondContact O-CA 3.35Å; S947-V950 WeakPolarHBondContact O-CB 3.36Å; S947-V950 PolarHBondContact O-N 2.66Å; S947-V950 VanDerWaalsContact O-N 3.09Å; S947-L951 PolarHBondContact O-N 3.47Å
948F98.9Very high95.7Very high0 Ų013.4 Ų13.40%07%0.07CC..Hα-helixtrans-64.7-37.6174.2-175.8-91.9000112.7A863 I866 A867 I883 D944 T945 W946 V950 L951 L952 F1009 I1012 I1016A863-F948 WeakPolarHBondContact O-CZ 3.32Å; I866-F948 HydrophobicContact CB-CE2 4.3Å; I866-F948 HydrophobicContact CG2-CD2 4.36Å; I866-F948 HydrophobicContact CG2-CE2 4.25Å; A867-F948 HydrophobicContact CB-CE1 4.42Å; A867-F948 HydrophobicContact CB-CE2 3.86Å; A867-F948 HydrophobicContact CB-CZ 3.69Å; I883-F948 HydrophobicContact CG2-CB 4.32Å; I883-F948 HydrophobicContact CG2-CD2 4.39Å; D944-F948 WeakPolarHBondContact O-CB 3.31Å; D944-F948 PolarHBondContact O-N 3.04Å; T945-F948 PolarHBondContact O-N 2.77Å; W946-F948 PolarHBondContact O-N 3.13Å; F948-V950 PolarHBondContact O-N 3.46Å; F948-L951 HydrophobicContact CD2-CD2 3.99Å; F948-L951 HydrophobicContact CE2-CD2 4.16Å; F948-L951 WeakPolarHBondContact O-CB 3.43Å; F948-L951 PolarHBondContact O-N 3.23Å; F948-L952 HydrophobicContact CD1-CD1 4.13Å; F948-L952 HydrophobicContact CD1-CG 4.03Å; F948-L952 HydrophobicContact CE1-CD1 3.7Å; F948-L952 HydrophobicContact CE1-CD2 3.77Å; F948-L952 HydrophobicContact CE1-CG 3.54Å; F948-L952 HydrophobicContact CZ-CD2 3.87Å; F948-L952 HydrophobicContact CZ-CG 4.06Å; F948-L952 PolarHBondContact O-N 3.37Å; F948-F1009 HydrophobicContact CB-CE1 3.68Å; F948-F1009 HydrophobicContact CB-CZ 3.9Å; F948-F1009 HydrophobicContact CD1-CE1 4.18Å; F948-F1009 AromaticContact CD2-CE1 3.96Å; F948-F1009 HydrophobicContact CD2-CE1 3.96Å; F948-F1009 AromaticContact CG-CE1 3.66Å; F948-F1009 HydrophobicContact CG-CE1 3.66Å; F948-F1009 HydrophobicContact CG-CZ 4.38Å; F948-I1012 HydrophobicContact CD1-CD1 4.19Å; F948-I1012 HydrophobicContact CD1-CG2 3.92Å; F948-I1012 HydrophobicContact CE1-CG2 3.4Å; F948-I1012 HydrophobicContact CZ-CG2 4.11Å; F948-I1016 HydrophobicContact CE1-CD1 4.06Å; F948-I1016 HydrophobicContact CZ-CD1 3.85Å
949G98.8Very high96.5Very high0 Ų010 Ų100%05%0.054CC..Hα-helixtrans-58.1-37.9169.700000112.6T945 W946 W953 W999T945-G949 PolarHBondContact O-N 3.13Å; W946-G949 WeakPolarHBondContact O-CA 3.4Å; W946-G949 PolarHBondContact O-N 3.49Å; G949-W953 PolarHBondContact O-N 2.82Å; G949-W999 VanDerWaalsContact C-NE1 3.32Å; G949-W999 WeakPolarHBondContact O-CZ2 3.4Å
950V98.8Very high97.2Very high0 Ų013.6 Ų13.60%07%0.067CC..Hα-helixtrans-72.4-37.7174.2-176.20000111.8W928 W946 S947 F948 W953 E954 P962 M981 W999W928-V950 VanDerWaalsContact CD1-CG1 3.44Å; W928-V950 HydrophobicContact CD2-CG1 4.39Å; W928-V950 HydrophobicContact CG-CB 4.31Å; W928-V950 HydrophobicContact CG-CG1 3.93Å; W946-V950 PolarHBondContact O-N 3.12Å; W946-V950 VanDerWaalsContact O-N 3.09Å; S947-V950 CarbonylContact O-C 3.6Å; S947-V950 WeakPolarHBondContact O-CA 3.35Å; S947-V950 WeakPolarHBondContact O-CB 3.36Å; S947-V950 PolarHBondContact O-N 2.66Å; S947-V950 VanDerWaalsContact O-N 3.09Å; F948-V950 PolarHBondContact O-N 3.46Å; V950-W953 WeakPolarHBondContact O-CA 3.42Å; V950-W953 WeakPolarHBondContact O-CB 3.2Å; V950-W953 PolarHBondContact O-N 2.64Å; V950-W953 VanDerWaalsContact O-N 3.12Å; V950-E954 PolarHBondContact O-N 3.17Å; V950-P962 HydrophobicContact CG1-CB 3.72Å; V950-P962 HydrophobicContact CG1-CG 3.54Å; V950-M981 HydrophobicContact CG1-CE 4.18Å; V950-M981 HydrophobicContact CG2-CE 4.4Å; V950-W999 HydrophobicContact CG2-CZ2 4.31Å
951L98.8Very high97.5Very high0 Ų016.1 Ų16.10%08%0.076CC..Hα-helixtrans-61-42.5171.5171.663.6000112L837 I866 I883 A885 S947 F948 W953 E954 I955L837-L951 HydrophobicContact CD2-CD1 4.26Å; I866-L951 HydrophobicContact CB-CD2 4.09Å; I866-L951 HydrophobicContact CG1-CD2 4.41Å; I866-L951 HydrophobicContact CG2-CD2 3.53Å; I883-L951 HydrophobicContact CG2-CB 4.21Å; I883-L951 HydrophobicContact CG2-CD2 3.68Å; A885-L951 HydrophobicContact CB-CD1 3.86Å; S947-L951 PolarHBondContact O-N 3.47Å; F948-L951 HydrophobicContact CD2-CD2 3.99Å; F948-L951 HydrophobicContact CE2-CD2 4.16Å; F948-L951 WeakPolarHBondContact O-CB 3.43Å; F948-L951 PolarHBondContact O-N 3.23Å; L951-W953 VanDerWaalsContact C-N 3.26Å; L951-W953 PolarHBondContact O-N 3.05Å; L951-E954 WeakPolarHBondContact O-CB 3.49Å; L951-E954 PolarHBondContact O-N 3.01Å; L951-E954 VanDerWaalsContact O-N 3.1Å; L951-I955 HydrophobicContact CD1-CD1 3.93Å; L951-I955 HydrophobicContact CD1-CG1 4.05Å; L951-I955 HydrophobicContact CD2-CD1 4.43Å; L951-I955 HydrophobicContact CG-CD1 3.8Å; L951-I955 HydrophobicContact CG-CG1 4.36Å; L951-I955 WeakPolarHBondContact O-CG1 3.42Å; L951-I955 PolarHBondContact O-N 2.96Å
952L98.8Very high97.8Very high1 Ų115.1 Ų15.11%0.0057%0.07CC..Hα-helixtrans-56.3-43.2171.4-74.2178.8000110.7A863 F948 E954 I955 F956 I994 M995A863-L952 HydrophobicContact CB-CD2 3.6Å; F948-L952 HydrophobicContact CD1-CD1 4.13Å; F948-L952 HydrophobicContact CD1-CG 4.03Å; F948-L952 HydrophobicContact CE1-CD1 3.7Å; F948-L952 HydrophobicContact CE1-CD2 3.77Å; F948-L952 HydrophobicContact CE1-CG 3.54Å; F948-L952 HydrophobicContact CZ-CD2 3.87Å; F948-L952 HydrophobicContact CZ-CG 4.06Å; F948-L952 PolarHBondContact O-N 3.37Å; L952-E954 PolarHBondContact O-N 3.43Å; L952-I955 PolarHBondContact O-N 3.4Å; L952-F956 HydrophobicContact CD2-CD2 4.42Å; L952-F956 HydrophobicContact CD2-CE2 4.03Å; L952-F956 WeakPolarHBondContact O-CD2 3.48Å; L952-F956 PolarHBondContact O-N 2.99Å; L952-I994 HydrophobicContact CD1-CB 3.99Å; L952-I994 HydrophobicContact CD1-CG2 3.66Å; L952-M995 HydrophobicContact CB-CE 4.13Å; L952-M995 HydrophobicContact CB-CG 3.79Å; L952-M995 HydrophobicContact CB-SD 4.46Å; L952-M995 HydrophobicContact CD1-CG 4.11Å
953W98.8Very high97.8Very high16 Ų1613.2 Ų13.26%0.0616%0.061CC..Hα-helixtrans-64.3-39.1175.7-165.697.5000112.2G949 V950 L951 S957 P962 P964 M981 D982 P984 M995 W999G949-W953 PolarHBondContact O-N 2.82Å; V950-W953 WeakPolarHBondContact O-CA 3.42Å; V950-W953 WeakPolarHBondContact O-CB 3.2Å; V950-W953 PolarHBondContact O-N 2.64Å; V950-W953 VanDerWaalsContact O-N 3.12Å; L951-W953 VanDerWaalsContact C-N 3.26Å; L951-W953 PolarHBondContact O-N 3.05Å; W953-S957 WeakPolarHBondContact O-CB 3.42Å; W953-S957 PolarHBondContact O-N 3.48Å; W953-S957 PolarHBondContact O-OG 3.3Å; W953-P962 HydrophobicContact CE3-CB 4.47Å; W953-P962 HydrophobicContact CE3-CG 4.38Å; W953-P964 HydrophobicContact CH2-CG 3.74Å; W953-P964 HydrophobicContact CZ2-CG 4.22Å; W953-M981 HydrophobicContact CB-CE 3.62Å; W953-M981 HydrophobicContact CD2-CE 3.78Å; W953-M981 HydrophobicContact CD2-SD 3.69Å; W953-M981 HydrophobicContact CE3-CE 4.3Å; W953-M981 HydrophobicContact CE3-SD 4.05Å; W953-M981 HydrophobicContact CG-CE 3.44Å; W953-M981 VanDerWaalsContact CG-CE 3.44Å; W953-M981 HydrophobicContact CG-SD 3.97Å; W953-M981 HydrophobicContact CZ2-SD 4.35Å; W953-D982 PolarHBondContact NE1-O 2.68Å; W953-P984 HydrophobicContact CD2-CG 4.34Å; W953-P984 HydrophobicContact CG-CG 4.05Å; W953-M995 HydrophobicContact CB-SD 3.98Å; W953-M995 HydrophobicContact CG-SD 4.39Å; W953-W999 HydrophobicContact CB-CH2 4.13Å; W953-W999 HydrophobicContact CB-CZ2 4.1Å; W953-W999 AromaticContact CD1-CH2 3.93Å; W953-W999 HydrophobicContact CG-CH2 4.3Å
954E98.8Very high97.7Very high0 Ų016.6 Ų16.60%08%0.083CC..Hα-helixtrans-62.2-43.4171.9-68.4-167.999.600112.4K838 A885 W928 V950 L951 L952 S957 L958 G959 P962K838-E954 IonicContact NZ-OE1 3.8Å; K838-E954 PolarHBondContact NZ-OE1 3.42Å; A885-E954 HydrophobicContact CB-CB 3.97Å; A885-E954 HydrophobicContact CB-CG 4.44Å; A885-E954 WeakPolarHBondContact CB-OE2 3.5Å; A885-E954 PolarHBondContact N-OE2 3.02Å; W928-E954 PolarHBondContact NE1-OE2 2.86Å; V950-E954 PolarHBondContact O-N 3.17Å; L951-E954 WeakPolarHBondContact O-CB 3.49Å; L951-E954 PolarHBondContact O-N 3.01Å; L951-E954 VanDerWaalsContact O-N 3.1Å; L952-E954 PolarHBondContact O-N 3.43Å; E954-S957 PolarHBondContact O-OG 2.78Å; E954-L958 PolarHBondContact O-N 2.66Å; E954-G959 WeakPolarHBondContact O-CA 3.34Å; E954-G959 PolarHBondContact O-N 2.73Å; E954-P962 HydrophobicContact CG-CG 3.61Å
955I98.6Very high97.4Very high0 Ų022.5 Ų22.50%013%0.125CC..Hα-helixtrans-62.9-57.8178.9-70.5166.1000110.5L837 L841 L859 V862 A863 L951 L952 S957 L958L837-I955 HydrophobicContact CD2-CD1 4.37Å; L837-I955 HydrophobicContact CD2-CG1 4.15Å; L841-I955 HydrophobicContact CD1-CG1 4.29Å; L859-I955 HydrophobicContact CB-CG2 3.73Å; L859-I955 HydrophobicContact CD2-CG2 4.07Å; L859-I955 HydrophobicContact CG-CG2 4.34Å; V862-I955 HydrophobicContact CG1-CD1 3.93Å; V862-I955 HydrophobicContact CG1-CG1 4.28Å; A863-I955 HydrophobicContact CB-CD1 4.25Å; L951-I955 HydrophobicContact CD1-CD1 3.93Å; L951-I955 HydrophobicContact CD1-CG1 4.05Å; L951-I955 HydrophobicContact CD2-CD1 4.43Å; L951-I955 HydrophobicContact CG-CD1 3.8Å; L951-I955 HydrophobicContact CG-CG1 4.36Å; L951-I955 WeakPolarHBondContact O-CG1 3.42Å; L951-I955 PolarHBondContact O-N 2.96Å; L952-I955 PolarHBondContact O-N 3.4Å; I955-S957 VanDerWaalsContact C-N 3.27Å; I955-S957 PolarHBondContact O-N 2.89Å; I955-L958 PolarHBondContact O-N 3.25Å
956F98.5Very high96.9Very high4 Ų425.8 Ų25.82%0.01814%0.139CC..Hα-helixtrans-77.8-8.1-174.2-71.2-89.3000113.8M856 L859 L860 A863 L952 P984 V991 M995M856-F956 HydrophobicContact CG-CE1 4.29Å; M856-F956 HydrophobicContact SD-CD1 3.61Å; M856-F956 HydrophobicContact SD-CE1 3.52Å; M856-F956 VanDerWaalsContact SD-CE1 3.52Å; L859-F956 HydrophobicContact CB-CD1 4.17Å; L859-F956 HydrophobicContact CB-CE1 3.7Å; L859-F956 HydrophobicContact CB-CE2 4.38Å; L859-F956 HydrophobicContact CB-CZ 3.81Å; L859-F956 HydrophobicContact CD1-CD1 3.9Å; L859-F956 HydrophobicContact CD1-CE1 4.21Å; L859-F956 HydrophobicContact CD1-CG 4.43Å; L860-F956 HydrophobicContact CD2-CE1 4.49Å; L860-F956 HydrophobicContact CD2-CZ 3.86Å; L860-F956 HydrophobicContact CG-CE1 4.32Å; L860-F956 HydrophobicContact CG-CZ 3.93Å; A863-F956 HydrophobicContact CB-CE2 4.27Å; L952-F956 HydrophobicContact CD2-CD2 4.42Å; L952-F956 HydrophobicContact CD2-CE2 4.03Å; L952-F956 WeakPolarHBondContact O-CD2 3.48Å; L952-F956 PolarHBondContact O-N 2.99Å; F956-P984 HydrophobicContact CB-CG 4.23Å; F956-P984 VanDerWaalsContact O-CB 3.24Å; F956-P984 WeakPolarHBondContact O-CB 3.42Å; F956-V991 HydrophobicContact CD1-CG1 4.04Å; F956-V991 HydrophobicContact CD2-CG1 3.69Å; F956-V991 HydrophobicContact CE1-CG1 3.93Å; F956-V991 HydrophobicContact CE1-CG2 4.25Å; F956-V991 HydrophobicContact CE2-CG1 3.6Å; F956-V991 HydrophobicContact CG-CG1 3.93Å; F956-V991 HydrophobicContact CZ-CG1 3.72Å; F956-V991 HydrophobicContact CZ-CG2 4.36Å; F956-M995 HydrophobicContact CB-CE 3.92Å; F956-M995 HydrophobicContact CD2-CE 4.23Å; F956-M995 HydrophobicContact CG-CE 4.31Å
957S97.8Very high96.3Very high16 Ų1628.5 Ų28.511%0.11216%0.158CC..THydrogen-bonded Turntrans-90.4-2.3164.465.90000114.1W953 E954 I955 Y960W953-S957 WeakPolarHBondContact O-CB 3.42Å; W953-S957 PolarHBondContact O-N 3.48Å; W953-S957 PolarHBondContact O-OG 3.3Å; E954-S957 PolarHBondContact O-OG 2.78Å; I955-S957 VanDerWaalsContact C-N 3.27Å; I955-S957 PolarHBondContact O-N 2.89Å; S957-Y960 WeakPolarHBondContact O-CD2 3.48Å; S957-Y960 PolarHBondContact OG-N 3.46Å
958L97.5Very high95.6Very high6 Ų632.1 Ų32.13%0.03118%0.177CC..THydrogen-bonded Turntrans60.651-173.1-47.7178.6000112.4L841 R845 L854 L859 E954 I955 L1030L841-L958 HydrophobicContact CD2-CD2 4.4Å; L841-L958 CarbonylContact O-C 3.55Å; L841-L958 VanDerWaalsContact O-O 3.14Å; R845-L958 HydrophobicContact CG-CB 4.02Å; R845-L958 HydrophobicContact CG-CD1 4.26Å; R845-L958 VanDerWaalsContact CZ-O 3.27Å; R845-L958 PolarHBondContact NE-O 3.29Å; R845-L958 PolarHBondContact NH2-O 3.02Å; L854-L958 HydrophobicContact CD1-CD2 4.33Å; L859-L958 HydrophobicContact CD1-CD2 3.86Å; L859-L958 HydrophobicContact CD2-CD2 4.01Å; E954-L958 PolarHBondContact O-N 2.66Å; I955-L958 PolarHBondContact O-N 3.25Å; L958-L1030 HydrophobicContact CD2-CD1 4.29Å
959G96.6Very high94.9Very high4 Ų437.1 Ų37.14%0.04120%0.201CC..SBendtrans78.723.1169.200000115.7E954E954-G959 WeakPolarHBondContact O-CA 3.34Å; E954-G959 PolarHBondContact O-N 2.73Å
960Y96.4Very high94.6Very high116 Ų11641.1 Ų41.146%0.45522%0.22SC..PPolyproline II helixtrans-64.4164.7170.6-87.7-111.7000111.7K838 S957K838-Y960 PolarHBondContact NZ-O 3.12Å; S957-Y960 WeakPolarHBondContact O-CD2 3.48Å; S957-Y960 PolarHBondContact OG-N 3.46Å
961M95.4Very high94.2Very high101 Ų10141.2 Ų41.250%0.49822%0.22SC..PPolyproline II helixtrans-77.8125.5169.8179.960.873.200109.3K927 W928K927-M961 HydrophobicContact CD-SD 4.31Å; W928-M961 HydrophobicContact CH2-SD 4.09Å
962P97.3Very high93.6Very high0 Ų043.6 Ų43.60%023%0.233CC..SBendtrans-53.1147.8173.2-3037.9000112.9K927 W928 V950 W953 E954 M981K927-P962 HydrophobicContact CB-CB 4.42Å; K927-P962 WeakPolarHBondContact CD-O 3.47Å; K927-P962 PolarHBondContact NZ-O 3.35Å; W928-P962 HydrophobicContact CH2-CG 4.47Å; W928-P962 HydrophobicContact CZ2-CG 3.79Å; V950-P962 HydrophobicContact CG1-CB 3.72Å; V950-P962 HydrophobicContact CG1-CG 3.54Å; W953-P962 HydrophobicContact CE3-CB 4.47Å; W953-P962 HydrophobicContact CE3-CG 4.38Å; E954-P962 HydrophobicContact CG-CG 3.61Å; P962-M981 HydrophobicContact CB-CE 4.22Å; P962-M981 HydrophobicContact CB-SD 3.88Å
963Y96.6Very high93.1Very high6 Ų648.3 Ų48.32%0.02426%0.255CS..SBendtrans4771.7-173.6-54.5-94.2000111.5K927 S965 K966 V971 F974 V975 M981K927-Y963 HydrophobicContact CB-CD2 4.28Å; K927-Y963 PolarHBondContact NZ-O 2.91Å; K927-Y963 VanDerWaalsContact NZ-O 3.14Å; K927-Y963 WeakPolarHBondContact O-CE2 3.47Å; Y963-S965 PolarHBondContact O-N 3.22Å; Y963-K966 PolarHBondContact O-N 3.13Å; Y963-V971 HydrophobicContact CD1-CG1 4.13Å; Y963-V971 HydrophobicContact CD1-CG2 4.1Å; Y963-V971 HydrophobicContact CD2-CG1 3.73Å; Y963-V971 HydrophobicContact CD2-CG2 3.97Å; Y963-V971 HydrophobicContact CE1-CG1 4.22Å; Y963-V971 HydrophobicContact CE2-CG1 3.86Å; Y963-V971 HydrophobicContact CG-CB 4.39Å; Y963-V971 HydrophobicContact CG-CG1 3.9Å; Y963-V971 HydrophobicContact CG-CG2 3.55Å; Y963-F974 AromaticContact CD1-CD1 3.97Å; Y963-F974 HydrophobicContact CD1-CD1 3.97Å; Y963-F974 HydrophobicContact CD1-CE1 4.08Å; Y963-F974 AromaticContact CE1-CD1 3.95Å; Y963-F974 HydrophobicContact CE1-CD1 3.95Å; Y963-F974 HydrophobicContact CE1-CE1 4.03Å; Y963-V975 HydrophobicContact CE1-CG2 3.73Å; Y963-V975 WeakPolarHBondContact OH-CG2 3.36Å; Y963-M981 HydrophobicContact CD1-CG 3.48Å; Y963-M981 VanDerWaalsContact CD1-CG 3.48Å; Y963-M981 HydrophobicContact CD1-SD 4.18Å; Y963-M981 HydrophobicContact CD2-CE 4.43Å; Y963-M981 HydrophobicContact CD2-CG 4.09Å; Y963-M981 HydrophobicContact CD2-SD 3.7Å; Y963-M981 HydrophobicContact CE1-CG 3.43Å; Y963-M981 VanDerWaalsContact CE1-CG 3.43Å; Y963-M981 HydrophobicContact CE1-SD 4.3Å; Y963-M981 HydrophobicContact CE2-CE 4Å; Y963-M981 HydrophobicContact CE2-CG 4.03Å; Y963-M981 HydrophobicContact CE2-SD 3.81Å; Y963-M981 HydrophobicContact CG-CG 3.81Å; Y963-M981 HydrophobicContact CG-SD 3.87Å; Y963-M981 PolarHBondContact N-SD 3.45Å
964P92.1Very high93Very high72 Ų7250.8 Ų50.847%0.46827%0.266SS..THydrogen-bonded Turntrans-51.7140.4178.8-27.736.2000112.1W953 K966W953-P964 HydrophobicContact CH2-CG 3.74Å; W953-P964 HydrophobicContact CZ2-CG 4.22Å; P964-K966 PolarHBondContact O-N 3.44Å; P964-K966 VanDerWaalsContact O-N 3.07Å
965S91.1Very high92.8Very high130 Ų13050.8 Ų50.891%0.90927%0.266SS*.THydrogen-bonded Turntrans59.311.9-179.9-51.90000116.6Y963Y963-S965 PolarHBondContact O-N 3.22Å
966K87.3Confident92.4Very high68 Ų6853 Ų5330%0.29628%0.279SS..  trans-109.4134.8172-65.7-173.1175-65.50112K927 Y963 P964 E970 V971 F974K927-K966 VanDerWaalsContact CE-O 3.28Å; K927-K966 WeakPolarHBondContact CE-O 3.4Å; K927-K966 PolarHBondContact NZ-O 3.05Å; Y963-K966 PolarHBondContact O-N 3.13Å; P964-K966 PolarHBondContact O-N 3.44Å; P964-K966 VanDerWaalsContact O-N 3.07Å; K966-E970 HydrophobicContact CB-CB 4.05Å; K966-E970 HydrophobicContact CG-CB 4.32Å; K966-V971 HydrophobicContact CB-CG2 3.67Å; K966-V971 HydrophobicContact CD-CG2 4.39Å; K966-F974 HydrophobicContact CD-CD1 4.38Å; K966-F974 HydrophobicContact CD-CG 4.43Å
967S87.8Confident92.1Very high57 Ų5757.8 Ų57.840%0.39931%0.314SS..  trans-71.5169.5166.266.50000112Q969 E970 V971S967-Q969 VanDerWaalsContact C-N 3.27Å; S967-Q969 PolarHBondContact O-N 3.14Å; S967-E970 WeakPolarHBondContact CB-OE2 3.42Å; S967-E970 PolarHBondContact N-OE2 3.39Å; S967-E970 PolarHBondContact O-N 2.97Å; S967-E970 WeakPolarHBondContact OG-CG 3.44Å; S967-E970 PolarHBondContact OG-N 3.12Å; S967-E970 PolarHBondContact OG-OE2 3.32Å; S967-V971 WeakPolarHBondContact O-CG2 3.39Å; S967-V971 PolarHBondContact O-N 2.96Å
968N83.4Confident91.8Very high77 Ų7759.1 Ų59.141%0.41233%0.33SS..Hα-helixtrans-60.5-35.7179.4-72.31.5000112.8V926 V971 L972V926-N968 HydrophobicContact CB-CB 4.06Å; V926-N968 HydrophobicContact CG1-CB 4.18Å; V926-N968 HydrophobicContact CG2-CB 4.26Å; N968-V971 PolarHBondContact O-N 3.07Å; N968-L972 WeakPolarHBondContact O-CB 3.1Å; N968-L972 PolarHBondContact O-N 2.96Å
969Q83.9Confident91.7Very high106 Ų10659.6 Ų59.650%0.49534%0.336SS..Hα-helixtrans-68.1-46.5177.3-176.561.227.700111.5S967 V971 L972 E973S967-Q969 VanDerWaalsContact C-N 3.27Å; S967-Q969 PolarHBondContact O-N 3.14Å; Q969-V971 VanDerWaalsContact C-N 3.26Å; Q969-V971 PolarHBondContact O-N 3.13Å; Q969-L972 WeakPolarHBondContact O-CB 3.12Å; Q969-L972 PolarHBondContact O-N 3.29Å; Q969-E973 WeakPolarHBondContact CG-OE1 3.23Å; Q969-E973 PolarHBondContact NE2-OE1 3.03Å; Q969-E973 PolarHBondContact O-N 3.46Å
970E91.9Very high91.8Very high84 Ų8461.6 Ų61.639%0.39334%0.343SS..Hα-helixtrans-65-29.4176.8-67.8165.794.800112.6K966 S967 F974K966-E970 HydrophobicContact CB-CB 4.05Å; K966-E970 HydrophobicContact CG-CB 4.32Å; S967-E970 WeakPolarHBondContact CB-OE2 3.42Å; S967-E970 PolarHBondContact N-OE2 3.39Å; S967-E970 PolarHBondContact O-N 2.97Å; S967-E970 WeakPolarHBondContact OG-CG 3.44Å; S967-E970 PolarHBondContact OG-N 3.12Å; S967-E970 PolarHBondContact OG-OE2 3.32Å; E970-F974 WeakPolarHBondContact O-CB 3.05Å; E970-F974 PolarHBondContact O-N 3.1Å; E970-F974 VanDerWaalsContact O-N 3.08Å
971V90.9Very high91.9Very high2 Ų256.5 Ų56.51%0.01232%0.323CS..Hα-helixtrans-70.6-45.8172.1173.40000110.9K927 Y963 K966 S967 N968 Q969 E973 F974 V975K927-V971 HydrophobicContact CD-CG2 4.46Å; K927-V971 HydrophobicContact CG-CG1 4.38Å; K927-V971 HydrophobicContact CG-CG2 4.24Å; Y963-V971 HydrophobicContact CD1-CG1 4.13Å; Y963-V971 HydrophobicContact CD1-CG2 4.1Å; Y963-V971 HydrophobicContact CD2-CG1 3.73Å; Y963-V971 HydrophobicContact CD2-CG2 3.97Å; Y963-V971 HydrophobicContact CE1-CG1 4.22Å; Y963-V971 HydrophobicContact CE2-CG1 3.86Å; Y963-V971 HydrophobicContact CG-CB 4.39Å; Y963-V971 HydrophobicContact CG-CG1 3.9Å; Y963-V971 HydrophobicContact CG-CG2 3.55Å; K966-V971 HydrophobicContact CB-CG2 3.67Å; K966-V971 HydrophobicContact CD-CG2 4.39Å; S967-V971 WeakPolarHBondContact O-CG2 3.39Å; S967-V971 PolarHBondContact O-N 2.96Å; N968-V971 PolarHBondContact O-N 3.07Å; Q969-V971 VanDerWaalsContact C-N 3.26Å; Q969-V971 PolarHBondContact O-N 3.13Å; V971-E973 PolarHBondContact O-N 2.97Å; V971-F974 PolarHBondContact O-N 3.35Å; V971-V975 HydrophobicContact CG1-CG2 3.92Å; V971-V975 WeakPolarHBondContact O-CB 3.41Å; V971-V975 VanDerWaalsContact O-CG2 3.27Å; V971-V975 WeakPolarHBondContact O-CG2 3.48Å; V971-V975 PolarHBondContact O-N 3.27Å
972L85.8Confident92Very high49 Ų4957.9 Ų57.926%0.25733%0.332SS..Hα-helixtrans-55-51.9176.8-174.6159.7000110.8V926 F934 N968 Q969 T976V926-L972 HydrophobicContact CG1-CB 4.42Å; F934-L972 HydrophobicContact CD2-CD1 3.98Å; F934-L972 HydrophobicContact CD2-CD2 4.42Å; F934-L972 HydrophobicContact CD2-CG 3.74Å; F934-L972 HydrophobicContact CE2-CD1 4.4Å; F934-L972 HydrophobicContact CE2-CD2 4.18Å; F934-L972 HydrophobicContact CE2-CG 3.65Å; F934-L972 HydrophobicContact CG-CD1 4.34Å; F934-L972 HydrophobicContact CG-CG 4.36Å; F934-L972 HydrophobicContact CZ-CG 4.15Å; N968-L972 WeakPolarHBondContact O-CB 3.1Å; N968-L972 PolarHBondContact O-N 2.96Å; Q969-L972 WeakPolarHBondContact O-CB 3.12Å; Q969-L972 PolarHBondContact O-N 3.29Å; L972-T976 VanDerWaalsContact O-CB 3.28Å; L972-T976 WeakPolarHBondContact O-CB 3.47Å; L972-T976 PolarHBondContact O-N 3.49Å; L972-T976 PolarHBondContact O-OG1 3.12Å
973E89.2Confident92Very high101 Ų10160.9 Ų60.947%0.47235%0.352SS..Hα-helixtrans-62.9-45.6179-70.6169.8-163.800112.4Q969 V971 S977Q969-E973 WeakPolarHBondContact CG-OE1 3.23Å; Q969-E973 PolarHBondContact NE2-OE1 3.03Å; Q969-E973 PolarHBondContact O-N 3.46Å; V971-E973 PolarHBondContact O-N 2.97Å; E973-S977 VanDerWaalsContact O-CB 3.3Å; E973-S977 WeakPolarHBondContact O-CB 3.47Å; E973-S977 PolarHBondContact O-N 3.22Å; E973-S977 PolarHBondContact O-OG 3.21Å
974F95.3Very high92Very high67 Ų6761 Ų6129%0.29435%0.354SS..Hα-helixtrans-63.7-47179.6178.2-111.1000112.4Y963 K966 E970 V971 S977 G978 G979 R980Y963-F974 AromaticContact CD1-CD1 3.97Å; Y963-F974 HydrophobicContact CD1-CD1 3.97Å; Y963-F974 HydrophobicContact CD1-CE1 4.08Å; Y963-F974 AromaticContact CE1-CD1 3.95Å; Y963-F974 HydrophobicContact CE1-CD1 3.95Å; Y963-F974 HydrophobicContact CE1-CE1 4.03Å; K966-F974 HydrophobicContact CD-CD1 4.38Å; K966-F974 HydrophobicContact CD-CG 4.43Å; E970-F974 WeakPolarHBondContact O-CB 3.05Å; E970-F974 PolarHBondContact O-N 3.1Å; E970-F974 VanDerWaalsContact O-N 3.08Å; V971-F974 PolarHBondContact O-N 3.35Å; F974-S977 PolarHBondContact O-N 3.41Å; F974-G978 PolarHBondContact O-N 3.32Å; F974-G979 VanDerWaalsContact CE1-C 3.48Å; F974-G979 VanDerWaalsContact O-CA 3.29Å; F974-G979 WeakPolarHBondContact O-CA 3.33Å; F974-G979 PolarHBondContact O-N 3.19Å; F974-R980 WeakPolarHBondContact CE1-O 3.48Å; F974-R980 VanDerWaalsContact CZ-O 3.3Å; F974-R980 WeakPolarHBondContact CZ-O 3.47Å
975V94.9Very high92.1Very high1 Ų164.4 Ų64.41%0.00636%0.361CS..Hα-helixtrans-65.5-43-179.9164.10000111.7P931 F934 W946 Y963 V971 S977 G978 R980P931-V975 HydrophobicContact CG-CG1 4.06Å; F934-V975 HydrophobicContact CE1-CG1 4.39Å; F934-V975 HydrophobicContact CZ-CB 4.48Å; F934-V975 HydrophobicContact CZ-CG1 4.04Å; W946-V975 HydrophobicContact CH2-CG1 3.62Å; W946-V975 HydrophobicContact CZ2-CG1 3.44Å; W946-V975 VanDerWaalsContact CZ2-CG1 3.44Å; W946-V975 HydrophobicContact CZ2-CG2 4.34Å; Y963-V975 HydrophobicContact CE1-CG2 3.73Å; Y963-V975 WeakPolarHBondContact OH-CG2 3.36Å; V971-V975 HydrophobicContact CG1-CG2 3.92Å; V971-V975 WeakPolarHBondContact O-CB 3.41Å; V971-V975 VanDerWaalsContact O-CG2 3.27Å; V971-V975 WeakPolarHBondContact O-CG2 3.48Å; V971-V975 PolarHBondContact O-N 3.27Å; V975-S977 VanDerWaalsContact C-N 3.31Å; V975-S977 PolarHBondContact O-N 2.99Å; V975-G978 PolarHBondContact O-N 2.76Å; V975-G978 VanDerWaalsContact O-N 3.13Å; V975-R980 PolarHBondContact O-NH1 2.86Å
976T90.1Very high92.3Very high45 Ų4561.8 Ų61.828%0.27634%0.337SS..Hα-helixtrans-62.6-40.3176.3-54.20000111F934 M935 L972 G978F934-T976 WeakPolarHBondContact CE2-OG1 3.23Å; M935-T976 HydrophobicContact CE-CG2 4.47Å; M935-T976 HydrophobicContact SD-CG2 3.75Å; L972-T976 VanDerWaalsContact O-CB 3.28Å; L972-T976 WeakPolarHBondContact O-CB 3.47Å; L972-T976 PolarHBondContact O-N 3.49Å; L972-T976 PolarHBondContact O-OG1 3.12Å; T976-G978 PolarHBondContact O-N 3.14Å
977S92.7Very high92.8Very high106 Ų10659.5 Ų59.574%0.74133%0.329SS*.THydrogen-bonded Turntrans-73.712.4175.4-52.10000114.2E973 F974 V975 G979E973-S977 VanDerWaalsContact O-CB 3.3Å; E973-S977 WeakPolarHBondContact O-CB 3.47Å; E973-S977 PolarHBondContact O-N 3.22Å; E973-S977 PolarHBondContact O-OG 3.21Å; F974-S977 PolarHBondContact O-N 3.41Å; V975-S977 VanDerWaalsContact C-N 3.31Å; V975-S977 PolarHBondContact O-N 2.99Å; S977-G979 VanDerWaalsContact C-N 3.31Å; S977-G979 PolarHBondContact O-N 3.16Å
978G92.5Very high93.3Very high44 Ų4457.2 Ų57.245%0.45431%0.313SS..THydrogen-bonded Turntrans82.1-1.9179.300000115.5F974 V975 T976 R980F974-G978 PolarHBondContact O-N 3.32Å; V975-G978 PolarHBondContact O-N 2.76Å; V975-G978 VanDerWaalsContact O-N 3.13Å; T976-G978 PolarHBondContact O-N 3.14Å; G978-R980 VanDerWaalsContact C-NH1 3.35Å; G978-R980 PolarHBondContact O-NH1 2.96Å
979G94.9Very high93.9Very high16 Ų1655.6 Ų55.617%0.16531%0.314CS..  trans-65.2144.2176.900000112.7F974 S977F974-G979 VanDerWaalsContact CE1-C 3.48Å; F974-G979 VanDerWaalsContact O-CA 3.29Å; F974-G979 WeakPolarHBondContact O-CA 3.33Å; F974-G979 PolarHBondContact O-N 3.19Å; S977-G979 VanDerWaalsContact C-N 3.31Å; S977-G979 PolarHBondContact O-N 3.16Å
980R97.6Very high94.6Very high46 Ų4651.6 Ų51.617%0.17430%0.298CS..  trans-134.4162.5-179.1-59.8-61.4178.5-102.77.1110.2W946 F974 V975 G978 W999W946-R980 VanDerWaalsContact CH2-CZ 3.48Å; F974-R980 WeakPolarHBondContact CE1-O 3.48Å; F974-R980 VanDerWaalsContact CZ-O 3.3Å; F974-R980 WeakPolarHBondContact CZ-O 3.47Å; V975-R980 PolarHBondContact O-NH1 2.86Å; G978-R980 VanDerWaalsContact C-NH1 3.35Å; G978-R980 PolarHBondContact O-NH1 2.96Å; R980-W999 HydrophobicContact CB-CE3 4.18Å; R980-W999 HydrophobicContact CG-CE3 4.48Å; R980-W999 VanDerWaalsContact CZ-O 3.3Å; R980-W999 PolarHBondContact NE-O 3.21Å; R980-W999 PolarHBondContact NH2-O 3.43Å
981M98.3Very high94.9Very high8 Ų847.7 Ų47.74%0.03928%0.28CS..PPolyproline II helixtrans-74.5138.5175.4-63.1-173.4-73.900110.8V950 W953 P962 Y963 Y992 W999V950-M981 HydrophobicContact CG1-CE 4.18Å; V950-M981 HydrophobicContact CG2-CE 4.4Å; W953-M981 HydrophobicContact CB-CE 3.62Å; W953-M981 HydrophobicContact CD2-CE 3.78Å; W953-M981 HydrophobicContact CD2-SD 3.69Å; W953-M981 HydrophobicContact CE3-CE 4.3Å; W953-M981 HydrophobicContact CE3-SD 4.05Å; W953-M981 HydrophobicContact CG-CE 3.44Å; W953-M981 VanDerWaalsContact CG-CE 3.44Å; W953-M981 HydrophobicContact CG-SD 3.97Å; W953-M981 HydrophobicContact CZ2-SD 4.35Å; P962-M981 HydrophobicContact CB-CE 4.22Å; P962-M981 HydrophobicContact CB-SD 3.88Å; Y963-M981 HydrophobicContact CD1-CG 3.48Å; Y963-M981 VanDerWaalsContact CD1-CG 3.48Å; Y963-M981 HydrophobicContact CD1-SD 4.18Å; Y963-M981 HydrophobicContact CD2-CE 4.43Å; Y963-M981 HydrophobicContact CD2-CG 4.09Å; Y963-M981 HydrophobicContact CD2-SD 3.7Å; Y963-M981 HydrophobicContact CE1-CG 3.43Å; Y963-M981 VanDerWaalsContact CE1-CG 3.43Å; Y963-M981 HydrophobicContact CE1-SD 4.3Å; Y963-M981 HydrophobicContact CE2-CE 4Å; Y963-M981 HydrophobicContact CE2-CG 4.03Å; Y963-M981 HydrophobicContact CE2-SD 3.81Å; Y963-M981 HydrophobicContact CG-CG 3.81Å; Y963-M981 HydrophobicContact CG-SD 3.87Å; Y963-M981 PolarHBondContact N-SD 3.45Å; M981-Y992 WeakPolarHBondContact O-CE2 3.1Å; M981-Y992 PolarHBondContact O-OH 3.49Å; M981-W999 HydrophobicContact CB-CH2 4.11Å; M981-W999 HydrophobicContact CB-CZ3 4.31Å; M981-W999 HydrophobicContact CE-CH2 3.57Å; M981-W999 HydrophobicContact CE-CZ2 3.41Å; M981-W999 VanDerWaalsContact CE-CZ2 3.41Å
982D97.5Very high95.3Very high130 Ų13050.2 Ų50.270%0.69529%0.289SS*.PPolyproline II helixtrans-57.3154.7168.2-64.8-61000111.9W953W953-D982 PolarHBondContact NE1-O 2.68Å
983P97.4Very high95.9Very high64 Ų6454.5 Ų54.542%0.41630%0.302SS..PPolyproline II helixtrans-57.8139.4175.123.9-33.9000111.4C987 Y992P983-C987 HydrophobicContact CB-CB 4.38Å; P983-Y992 HydrophobicContact CB-CD1 4.08Å; P983-Y992 HydrophobicContact CB-CD2 3.72Å; P983-Y992 HydrophobicContact CB-CE1 4.34Å; P983-Y992 HydrophobicContact CB-CE2 4.01Å; P983-Y992 HydrophobicContact CB-CG 3.76Å; P983-Y992 HydrophobicContact CG-CD1 4.47Å; P983-Y992 HydrophobicContact CG-CE1 4.39Å
984P97.6Very high96.3Very high9 Ų949.9 Ų49.96%0.05828%0.28CS..PPolyproline II helixtrans-56.4155.8170.4-24.133000112.6W953 F956 N986 C987 M995W953-P984 HydrophobicContact CD2-CG 4.34Å; W953-P984 HydrophobicContact CG-CG 4.05Å; F956-P984 HydrophobicContact CB-CG 4.23Å; F956-P984 VanDerWaalsContact O-CB 3.24Å; F956-P984 WeakPolarHBondContact O-CB 3.42Å; P984-N986 PolarHBondContact O-N 3.03Å; P984-C987 HydrophobicContact CB-CB 3.99Å; P984-C987 HydrophobicContact CG-CB 4.23Å; P984-C987 WeakPolarHBondContact O-CB 3.26Å; P984-C987 PolarHBondContact O-N 3.3Å; P984-M995 HydrophobicContact CG-CE 4.14Å
985K93.9Very high96.5Very high142 Ų14246.7 Ų46.762%0.61727%0.266SS*.THydrogen-bonded Turntrans-59.9125.3-179.1-175.8-179.2173.7-169.70110.4C987 P1031K985-C987 PolarHBondContact O-N 2.83Å; K985-P1031 HydrophobicContact CB-CB 4.43Å; K985-P1031 HydrophobicContact CB-CG 4.28Å; K985-P1031 HydrophobicContact CD-CB 3.65Å; K985-P1031 HydrophobicContact CD-CG 4.33Å; K985-P1031 HydrophobicContact CG-CB 3.9Å; K985-P1031 HydrophobicContact CG-CG 4.28Å
986N95.1Very high96.7Very high76 Ų7648.5 Ų48.541%0.40628%0.278SS..THydrogen-bonded Turntrans61.718.2-172.7-54.616.4000114.9P984 P988 T1028 A1029P984-N986 PolarHBondContact O-N 3.03Å; N986-P988 WeakPolarHBondContact O-CD 3.49Å; N986-T1028 HydrophobicContact CB-CG2 4.44Å; N986-T1028 WeakPolarHBondContact O-CG2 3.36Å; N986-A1029 WeakPolarHBondContact CB-O 3.38Å; N986-A1029 PolarHBondContact ND2-O 3.35Å
987C97.8Very high97.1Very high19 Ų1949.5 Ų49.513%0.12828%0.279CS..  trans-66.5125173.8-175.90000110.8P983 P984 K985P983-C987 HydrophobicContact CB-CB 4.38Å; P984-C987 HydrophobicContact CB-CB 3.99Å; P984-C987 HydrophobicContact CG-CB 4.23Å; P984-C987 WeakPolarHBondContact O-CB 3.26Å; P984-C987 PolarHBondContact O-N 3.3Å; K985-C987 PolarHBondContact O-N 2.83Å
988P97.9Very high97.4Very high10 Ų1044.4 Ų44.47%0.06524%0.244CC..  trans-63.1141.1177.3-25.337.1000112.1M856 N986 P990 V991 Y992 V1025 T1028M856-P988 HydrophobicContact CE-CG 3.78Å; M856-P988 HydrophobicContact CG-CG 4.24Å; M856-P988 HydrophobicContact SD-CG 3.98Å; N986-P988 WeakPolarHBondContact O-CD 3.49Å; P988-P990 VanDerWaalsContact C-CD 3.48Å; P988-P990 VanDerWaalsContact C-N 3.34Å; P988-V991 HydrophobicContact CB-CG2 4.27Å; P988-V991 HydrophobicContact CG-CG2 4.48Å; P988-V991 PolarHBondContact O-N 2.93Å; P988-Y992 PolarHBondContact O-N 3.1Å; P988-Y992 VanDerWaalsContact O-N 3.13Å; P988-V1025 HydrophobicContact CB-CB 4.31Å; P988-V1025 HydrophobicContact CB-CG1 3.92Å; P988-V1025 HydrophobicContact CB-CG2 4.09Å; P988-V1025 HydrophobicContact CG-CG1 3.91Å; P988-T1028 HydrophobicContact CG-CG2 4.12Å
989G97.3Very high97.7Very high42 Ų4242.4 Ų42.443%0.43322%0.222SC..Hα-helixtrans-51.9-41.717900000114.6V991 Y992 R993G989-V991 PolarHBondContact O-N 3.4Å; G989-Y992 PolarHBondContact O-N 2.97Å; G989-R993 WeakPolarHBondContact O-CG 3.48Å; G989-R993 PolarHBondContact O-N 2.67Å; G989-R993 VanDerWaalsContact O-N 3.08Å
990P98.2Very high97.8Very high23 Ų2345.5 Ų45.515%0.14923%0.233CC..Hα-helixtrans-56.9-44.4173.5-28.438.1000114P988 R993 I994 C1019 V1025P988-P990 VanDerWaalsContact C-CD 3.48Å; P988-P990 VanDerWaalsContact C-N 3.34Å; P990-R993 WeakPolarHBondContact O-CB 3.29Å; P990-R993 PolarHBondContact O-N 2.92Å; P990-I994 PolarHBondContact O-N 3.46Å; P990-C1019 VanDerWaalsContact CB-SG 3.53Å; P990-V1025 HydrophobicContact CB-CG2 3.92Å; P990-V1025 HydrophobicContact CG-CG2 3.59Å
991V98.3Very high97.7Very high2 Ų247.1 Ų47.11%0.01224%0.242CC..Hα-helixtrans-67.9-42.2-179.4-177.20000111.3L860 F956 P988 G989 R993 I994 M995 C1019 V1025L860-V991 HydrophobicContact CD2-CG2 4.19Å; F956-V991 HydrophobicContact CD1-CG1 4.04Å; F956-V991 HydrophobicContact CD2-CG1 3.69Å; F956-V991 HydrophobicContact CE1-CG1 3.93Å; F956-V991 HydrophobicContact CE1-CG2 4.25Å; F956-V991 HydrophobicContact CE2-CG1 3.6Å; F956-V991 HydrophobicContact CG-CG1 3.93Å; F956-V991 HydrophobicContact CZ-CG1 3.72Å; F956-V991 HydrophobicContact CZ-CG2 4.36Å; P988-V991 HydrophobicContact CB-CG2 4.27Å; P988-V991 HydrophobicContact CG-CG2 4.48Å; P988-V991 PolarHBondContact O-N 2.93Å; G989-V991 PolarHBondContact O-N 3.4Å; V991-R993 VanDerWaalsContact C-N 3.29Å; V991-R993 PolarHBondContact O-N 3.4Å; V991-I994 WeakPolarHBondContact O-CB 3.4Å; V991-I994 PolarHBondContact O-N 3.35Å; V991-M995 HydrophobicContact CG1-CE 4.07Å; V991-M995 PolarHBondContact O-N 2.97Å; V991-C1019 HydrophobicContact CG2-CB 4.22Å; V991-V1025 HydrophobicContact CG2-CG1 4Å
992Y98.7Very high97.5Very high55 Ų5551 Ų5122%0.21626%0.26CS..Hα-helixtrans-67.3-27.1176.9-177.8-114.8000113.2M981 P983 P988 G989 I994 M995 T996 W999M981-Y992 WeakPolarHBondContact O-CE2 3.1Å; M981-Y992 PolarHBondContact O-OH 3.49Å; P983-Y992 HydrophobicContact CB-CD1 4.08Å; P983-Y992 HydrophobicContact CB-CD2 3.72Å; P983-Y992 HydrophobicContact CB-CE1 4.34Å; P983-Y992 HydrophobicContact CB-CE2 4.01Å; P983-Y992 HydrophobicContact CB-CG 3.76Å; P983-Y992 HydrophobicContact CG-CD1 4.47Å; P983-Y992 HydrophobicContact CG-CE1 4.39Å; P988-Y992 PolarHBondContact O-N 3.1Å; P988-Y992 VanDerWaalsContact O-N 3.13Å; G989-Y992 PolarHBondContact O-N 2.97Å; Y992-I994 VanDerWaalsContact C-N 3.31Å; Y992-I994 PolarHBondContact O-N 3.35Å; Y992-M995 HydrophobicContact CD2-CB 4.33Å; Y992-M995 HydrophobicContact CD2-SD 3.91Å; Y992-M995 PolarHBondContact O-N 3.38Å; Y992-T996 HydrophobicContact CD1-CG2 4.3Å; Y992-T996 HydrophobicContact CD2-CG2 4.4Å; Y992-T996 HydrophobicContact CE1-CG2 3.74Å; Y992-T996 HydrophobicContact CE2-CG2 3.84Å; Y992-T996 VanDerWaalsContact CZ-CG2 3.47Å; Y992-T996 PolarHBondContact O-N 3.04Å; Y992-T996 PolarHBondContact O-OG1 3.47Å; Y992-W999 HydrophobicContact CE2-CZ3 4.27Å
993R98.5Very high97.4Very high139 Ų13946.2 Ų46.253%0.52524%0.236SC..Hα-helixtrans-62.3-36.9168.8-73-171.8-59.1-102.510.4112G989 P990 V991 T996 Q997G989-R993 WeakPolarHBondContact O-CG 3.48Å; G989-R993 PolarHBondContact O-N 2.67Å; G989-R993 VanDerWaalsContact O-N 3.08Å; P990-R993 WeakPolarHBondContact O-CB 3.29Å; P990-R993 PolarHBondContact O-N 2.92Å; V991-R993 VanDerWaalsContact C-N 3.29Å; V991-R993 PolarHBondContact O-N 3.4Å; R993-T996 WeakPolarHBondContact CA-OG1 3.41Å; R993-T996 PolarHBondContact O-N 2.68Å; R993-T996 PolarHBondContact O-OG1 3.14Å; R993-Q997 VanDerWaalsContact O-CB 3.3Å; R993-Q997 WeakPolarHBondContact O-CB 3.25Å; R993-Q997 WeakPolarHBondContact O-CG 3.3Å; R993-Q997 PolarHBondContact O-N 2.78Å; R993-Q997 PolarHBondContact O-OE1 3.05Å
994I98.7Very high97.3Very high4 Ų449.6 Ų49.62%0.02125%0.246CC..Hα-helixtrans-62.6-48.8174.6-48.5178.6000109.9L952 P990 V991 Y992 T996 Q997 C998 I1012 R1015 I1016L952-I994 HydrophobicContact CD1-CB 3.99Å; L952-I994 HydrophobicContact CD1-CG2 3.66Å; P990-I994 PolarHBondContact O-N 3.46Å; V991-I994 WeakPolarHBondContact O-CB 3.4Å; V991-I994 PolarHBondContact O-N 3.35Å; Y992-I994 VanDerWaalsContact C-N 3.31Å; Y992-I994 PolarHBondContact O-N 3.35Å; I994-T996 PolarHBondContact O-N 2.92Å; I994-Q997 PolarHBondContact O-N 3.12Å; I994-C998 PolarHBondContact O-N 3.38Å; I994-C998 PolarHBondContact O-SG 2.89Å; I994-C998 VanDerWaalsContact O-SG 3.38Å; I994-I1012 HydrophobicContact CG2-CG2 4.39Å; I994-R1015 HydrophobicContact CD1-CB 3.68Å; I994-R1015 HydrophobicContact CG1-CB 3.88Å; I994-I1016 HydrophobicContact CD1-CG1 3.88Å
995M98.8Very high97.3Very high0 Ų054.2 Ų54.20%027%0.27CS..Hα-helixtrans-55.6-50177.7-56.3-177.6-162.900112.1L952 W953 F956 P984 V991 Y992 Q997 C998 W999L952-M995 HydrophobicContact CB-CE 4.13Å; L952-M995 HydrophobicContact CB-CG 3.79Å; L952-M995 HydrophobicContact CB-SD 4.46Å; L952-M995 HydrophobicContact CD1-CG 4.11Å; W953-M995 HydrophobicContact CB-SD 3.98Å; W953-M995 HydrophobicContact CG-SD 4.39Å; F956-M995 HydrophobicContact CB-CE 3.92Å; F956-M995 HydrophobicContact CD2-CE 4.23Å; F956-M995 HydrophobicContact CG-CE 4.31Å; P984-M995 HydrophobicContact CG-CE 4.14Å; V991-M995 HydrophobicContact CG1-CE 4.07Å; V991-M995 PolarHBondContact O-N 2.97Å; Y992-M995 HydrophobicContact CD2-CB 4.33Å; Y992-M995 HydrophobicContact CD2-SD 3.91Å; Y992-M995 PolarHBondContact O-N 3.38Å; M995-Q997 VanDerWaalsContact C-N 3.3Å; M995-Q997 PolarHBondContact O-N 3.25Å; M995-C998 WeakPolarHBondContact O-CB 3.43Å; M995-C998 PolarHBondContact O-N 3.33Å; M995-W999 HydrophobicContact CB-CE3 4.3Å; M995-W999 HydrophobicContact CB-CH2 3.77Å; M995-W999 HydrophobicContact CB-CZ2 4.08Å; M995-W999 HydrophobicContact CB-CZ3 3.9Å; M995-W999 HydrophobicContact CG-CH2 4.45Å; M995-W999 VanDerWaalsContact O-CG 3.27Å; M995-W999 PolarHBondContact O-N 2.99Å; M995-W999 HydrophobicContact SD-CH2 4.17Å
996T98.4Very high97.5Very high39 Ų3947.6 Ų47.624%0.23924%0.241CC..Hα-helixtrans-70.8-22.7-178.747.90000113.7Y992 R993 I994 W999 Q1000Y992-T996 HydrophobicContact CD1-CG2 4.3Å; Y992-T996 HydrophobicContact CD2-CG2 4.4Å; Y992-T996 HydrophobicContact CE1-CG2 3.74Å; Y992-T996 HydrophobicContact CE2-CG2 3.84Å; Y992-T996 VanDerWaalsContact CZ-CG2 3.47Å; Y992-T996 PolarHBondContact O-N 3.04Å; Y992-T996 PolarHBondContact O-OG1 3.47Å; R993-T996 WeakPolarHBondContact CA-OG1 3.41Å; R993-T996 PolarHBondContact O-N 2.68Å; R993-T996 PolarHBondContact O-OG1 3.14Å; I994-T996 PolarHBondContact O-N 2.92Å; T996-W999 HydrophobicContact CG2-CE3 4.31Å; T996-W999 HydrophobicContact CG2-CZ3 4.46Å; T996-Q1000 PolarHBondContact O-NE2 3.05Å
997Q98.6Very high97.7Very high65 Ų6544.3 Ų44.330%0.30422%0.224SC..Hα-helixtrans-77.7-37.9169-72.5166.9-29.300111.9R993 I994 M995 W999 Q1000 P1007R993-Q997 VanDerWaalsContact O-CB 3.3Å; R993-Q997 WeakPolarHBondContact O-CB 3.25Å; R993-Q997 WeakPolarHBondContact O-CG 3.3Å; R993-Q997 PolarHBondContact O-N 2.78Å; R993-Q997 PolarHBondContact O-OE1 3.05Å; I994-Q997 PolarHBondContact O-N 3.12Å; M995-Q997 VanDerWaalsContact C-N 3.3Å; M995-Q997 PolarHBondContact O-N 3.25Å; Q997-W999 PolarHBondContact O-N 3.4Å; Q997-Q1000 WeakPolarHBondContact O-CG 3.43Å; Q997-Q1000 PolarHBondContact O-N 2.94Å; Q997-P1007 HydrophobicContact CB-CG 4.39Å; Q997-P1007 VanDerWaalsContact O-CD 3.25Å; Q997-P1007 WeakPolarHBondContact O-CD 3.48Å
998C98.8Very high97.7Very high0 Ų046.2 Ų46.20%023%0.233CC..Hα-helixtrans-61.1-30.1169.5-72.40000112.5T945 I994 M995 R1006T945-C998 HydrophobicContact CG2-CB 4.11Å; T945-C998 WeakPolarHBondContact O-CB 3.5Å; I994-C998 PolarHBondContact O-N 3.38Å; I994-C998 PolarHBondContact O-SG 2.89Å; I994-C998 VanDerWaalsContact O-SG 3.38Å; M995-C998 WeakPolarHBondContact O-CB 3.43Å; M995-C998 PolarHBondContact O-N 3.33Å; C998-R1006 WeakPolarHBondContact O-CD 3.47Å
999W98.6Very high97.7Very high1 Ų145.8 Ų45.80%0.00423%0.23CC..THydrogen-bonded Turntrans-97.624.4178.5-49.7-39.5000115.6W946 G949 V950 W953 R980 M981 Y992 M995 T996 Q997W946-W999 HydrophobicContact CD2-CB 4.47Å; W946-W999 AromaticContact CD2-CD1 3.74Å; W946-W999 HydrophobicContact CD2-CG 4.45Å; W946-W999 AromaticContact CE2-CD1 3.81Å; W946-W999 HydrophobicContact CE3-CB 4.07Å; W946-W999 HydrophobicContact CH2-CB 4.02Å; W946-W999 HydrophobicContact CZ2-CB 4.42Å; W946-W999 HydrophobicContact CZ2-CG 4.49Å; W946-W999 HydrophobicContact CZ3-CB 3.84Å; W946-W999 WeakPolarHBondContact CZ3-O 3.37Å; W946-W999 PolarHBondContact O-NE1 3.36Å; G949-W999 VanDerWaalsContact C-NE1 3.32Å; G949-W999 WeakPolarHBondContact O-CZ2 3.4Å; V950-W999 HydrophobicContact CG2-CZ2 4.31Å; W953-W999 HydrophobicContact CB-CH2 4.13Å; W953-W999 HydrophobicContact CB-CZ2 4.1Å; W953-W999 AromaticContact CD1-CH2 3.93Å; W953-W999 HydrophobicContact CG-CH2 4.3Å; R980-W999 HydrophobicContact CB-CE3 4.18Å; R980-W999 HydrophobicContact CG-CE3 4.48Å; R980-W999 VanDerWaalsContact CZ-O 3.3Å; R980-W999 PolarHBondContact NE-O 3.21Å; R980-W999 PolarHBondContact NH2-O 3.43Å; M981-W999 HydrophobicContact CB-CH2 4.11Å; M981-W999 HydrophobicContact CB-CZ3 4.31Å; M981-W999 HydrophobicContact CE-CH2 3.57Å; M981-W999 HydrophobicContact CE-CZ2 3.41Å; M981-W999 VanDerWaalsContact CE-CZ2 3.41Å; Y992-W999 HydrophobicContact CE2-CZ3 4.27Å; M995-W999 HydrophobicContact CB-CE3 4.3Å; M995-W999 HydrophobicContact CB-CH2 3.77Å; M995-W999 HydrophobicContact CB-CZ2 4.08Å; M995-W999 HydrophobicContact CB-CZ3 3.9Å; M995-W999 HydrophobicContact CG-CH2 4.45Å; M995-W999 VanDerWaalsContact O-CG 3.27Å; M995-W999 PolarHBondContact O-N 2.99Å; M995-W999 HydrophobicContact SD-CH2 4.17Å; T996-W999 HydrophobicContact CG2-CE3 4.31Å; T996-W999 HydrophobicContact CG2-CZ3 4.46Å; Q997-W999 PolarHBondContact O-N 3.4Å
1000Q98.4Very high97.8Very high82 Ų8246 Ų4638%0.38323%0.228SC..  trans-59.2143.6167.4-68.7-54.6-54.400110.6T996 Q997 D1005 R1006T996-Q1000 PolarHBondContact O-NE2 3.05Å; Q997-Q1000 WeakPolarHBondContact O-CG 3.43Å; Q997-Q1000 PolarHBondContact O-N 2.94Å; Q1000-D1005 HydrophobicContact CB-CB 3.69Å; Q1000-D1005 HydrophobicContact CG-CB 4.01Å; Q1000-R1006 HydrophobicContact CB-CG 4.03Å; Q1000-R1006 PolarHBondContact O-NE 3.01Å
1001H94.8Very high97.8Very high79 Ų7947.7 Ų47.737%0.36624%0.235SC..SBendtrans-64.8-51.7-173.8-172.4102.5000110.5R1006H1001-R1006 PolarHBondContact O-NH2 2.99Å
1002Q94.9Very high97.8Very high91 Ų9147.6 Ų47.643%0.42523%0.234SC..SBendtrans-73.4134.3175.8-54-57.1-1.800111.3E1004 D1005Q1002-E1004 VanDerWaalsContact C-N 3.28Å; Q1002-E1004 HydrophobicContact CB-CG 3.94Å; Q1002-E1004 PolarHBondContact O-N 3.04Å; Q1002-D1005 PolarHBondContact O-N 3.03Å
1003P95.6Very high97.8Very high29 Ų2946 Ų4619%0.18823%0.23CC..THydrogen-bonded Turntrans-58.2-34.4177.6-26.435.5000114.4E932 K942 R1006E932-P1003 HydrophobicContact CG-CG 4.28Å; K942-P1003 HydrophobicContact CB-CB 3.91Å; K942-P1003 HydrophobicContact CG-CB 4.36Å; K942-P1003 VanDerWaalsContact CG-O 3.3Å; K942-P1003 WeakPolarHBondContact CG-O 3.41Å; K942-P1003 PolarHBondContact NZ-O 2.92Å; P1003-R1006 PolarHBondContact O-N 3.5Å
1004E95.1Very high97.8Very high134 Ų13445.8 Ų45.863%0.62624%0.235SC*.THydrogen-bonded Turntrans-60.3-44.317948-92.7-133.700112.8K942 Q1002 R1006K942-E1004 PolarHBondContact NZ-O 3.36Å; Q1002-E1004 VanDerWaalsContact C-N 3.28Å; Q1002-E1004 HydrophobicContact CB-CG 3.94Å; Q1002-E1004 PolarHBondContact O-N 3.04Å; E1004-R1006 PolarHBondContact O-N 3.07Å
1005D97.5Very high97.8Very high106 Ų10649.3 Ų49.357%0.56725%0.247SC*.THydrogen-bonded Turntrans-68.7-18.8-179-68.3-36.3000113.7Q1000 Q1002Q1000-D1005 HydrophobicContact CB-CB 3.69Å; Q1000-D1005 HydrophobicContact CG-CB 4.01Å; Q1002-D1005 PolarHBondContact O-N 3.03Å
1006R98.6Very high97.8Very high3 Ų349.3 Ų49.31%0.01125%0.248CC..SBendtrans-73.7139.2178.6-50.9175.2-165.2153.210110.2E932 K942 T945 C998 Q1000 H1001 P1003 E1004E932-R1006 IonicContact OE1-CZ 3.91Å; E932-R1006 IonicContact OE1-NH1 3.33Å; E932-R1006 PolarHBondContact OE1-NH1 2.85Å; E932-R1006 IonicContact OE1-NH2 3.42Å; E932-R1006 PolarHBondContact OE1-NH2 3.28Å; E932-R1006 IonicContact OE2-CZ 3.07Å; E932-R1006 IonicContact OE2-NH1 2.68Å; E932-R1006 IonicContact OE2-NH2 2.74Å; E932-R1006 PolarHBondContact OE2-NH2 2.78Å; K942-R1006 WeakPolarHBondContact CE-O 3.49Å; K942-R1006 PolarHBondContact NZ-O 3.36Å; K942-R1006 WeakPolarHBondContact O-CD 3.47Å; K942-R1006 PolarHBondContact O-NH1 3.48Å; T945-R1006 HydrophobicContact CG2-CB 3.69Å; C998-R1006 WeakPolarHBondContact O-CD 3.47Å; Q1000-R1006 HydrophobicContact CB-CG 4.03Å; Q1000-R1006 PolarHBondContact O-NE 3.01Å; H1001-R1006 PolarHBondContact O-NH2 2.99Å; P1003-R1006 PolarHBondContact O-N 3.5Å; E1004-R1006 PolarHBondContact O-N 3.07Å
1007P98.4Very high97.7Very high8 Ų851 Ų515%0.05225%0.253CS..PPolyproline II helixtrans-67149.217928.9-35.3000112.5T945 Q997 I1011 I1012T945-P1007 HydrophobicContact CG2-CG 4.36Å; T945-P1007 WeakPolarHBondContact CG2-O 3.35Å; T945-P1007 PolarHBondContact OG1-O 2.99Å; Q997-P1007 HydrophobicContact CB-CG 4.39Å; Q997-P1007 VanDerWaalsContact O-CD 3.25Å; Q997-P1007 WeakPolarHBondContact O-CD 3.48Å; P1007-I1011 HydrophobicContact CB-CB 3.96Å; P1007-I1011 HydrophobicContact CB-CG2 3.63Å; P1007-I1012 HydrophobicContact CB-CG1 4.01Å; P1007-I1012 HydrophobicContact CG-CD1 4.17Å; P1007-I1012 HydrophobicContact CG-CG1 3.72Å
1008N98Very high97.7Very high58 Ų5855 Ų5531%0.3127%0.266SS..PPolyproline II helixtrans-76170.3164.270.1-1.2000110.3E874 A1010 I1011 I1012E874-N1008 WeakPolarHBondContact OE2-CB 3.48Å; N1008-A1010 VanDerWaalsContact C-N 3.3Å; N1008-A1010 PolarHBondContact O-N 3.43Å; N1008-I1011 PolarHBondContact O-N 3.13Å; N1008-I1011 WeakPolarHBondContact OD1-CB 3.35Å; N1008-I1011 WeakPolarHBondContact OD1-CD1 3.32Å; N1008-I1011 WeakPolarHBondContact OD1-CG1 3.49Å; N1008-I1011 PolarHBondContact OD1-N 3.02Å; N1008-I1012 WeakPolarHBondContact O-CG1 3.39Å; N1008-I1012 PolarHBondContact O-N 3.44Å
1009F98.5Very high97.6Very high2 Ų255.2 Ų55.21%0.00927%0.267CS..Hα-helixtrans-68.6-26.8-173.8-78.2-76.8000114.1A867 C870 Q871 E874 D944 F948 I1012 L1013A867-F1009 HydrophobicContact CB-CD1 4.48Å; C870-F1009 HydrophobicContact CB-CD1 3.39Å; C870-F1009 HydrophobicContact CB-CD2 3.82Å; C870-F1009 HydrophobicContact CB-CE1 3.24Å; C870-F1009 HydrophobicContact CB-CE2 3.68Å; C870-F1009 HydrophobicContact CB-CG 3.68Å; C870-F1009 HydrophobicContact CB-CZ 3.4Å; Q871-F1009 HydrophobicContact CB-CB 3.76Å; Q871-F1009 HydrophobicContact CG-CB 4.42Å; E874-F1009 HydrophobicContact CB-CD2 4.24Å; E874-F1009 WeakPolarHBondContact OE2-CD2 3.35Å; E874-F1009 PolarHBondContact OE2-N 3.32Å; D944-F1009 HydrophobicContact CB-CE2 4.16Å; D944-F1009 HydrophobicContact CB-CZ 4.24Å; F948-F1009 HydrophobicContact CB-CE1 3.68Å; F948-F1009 HydrophobicContact CB-CZ 3.9Å; F948-F1009 HydrophobicContact CD1-CE1 4.18Å; F948-F1009 AromaticContact CD2-CE1 3.96Å; F948-F1009 HydrophobicContact CD2-CE1 3.96Å; F948-F1009 AromaticContact CG-CE1 3.66Å; F948-F1009 HydrophobicContact CG-CE1 3.66Å; F948-F1009 HydrophobicContact CG-CZ 4.38Å; F1009-I1012 HydrophobicContact CD1-CD1 3.76Å; F1009-I1012 HydrophobicContact CE1-CD1 3.85Å; F1009-I1012 HydrophobicContact CG-CD1 4.35Å; F1009-I1012 PolarHBondContact O-N 3.47Å; F1009-L1013 WeakPolarHBondContact O-CB 3.45Å; F1009-L1013 WeakPolarHBondContact O-CG 3.49Å; F1009-L1013 PolarHBondContact O-N 2.92Å
1010A98.1Very high97.6Very high45 Ų4556 Ų5637%0.37227%0.273SS..Hα-helixtrans-61.3-46.1171.200000112.4N1008 I1012 L1013 E1014N1008-A1010 VanDerWaalsContact C-N 3.3Å; N1008-A1010 PolarHBondContact O-N 3.43Å; A1010-I1012 VanDerWaalsContact C-N 3.32Å; A1010-I1012 PolarHBondContact O-N 2.79Å; A1010-L1013 PolarHBondContact O-N 3.45Å; A1010-E1014 PolarHBondContact O-N 3.46Å
1011I98.3Very high97.5Very high59 Ų5958.5 Ų58.530%0.30328%0.284SS..Hα-helixtrans-69.2-31.1176.6-68.6167.3000111.5P1007 N1008 R1015P1007-I1011 HydrophobicContact CB-CB 3.96Å; P1007-I1011 HydrophobicContact CB-CG2 3.63Å; N1008-I1011 PolarHBondContact O-N 3.13Å; N1008-I1011 WeakPolarHBondContact OD1-CB 3.35Å; N1008-I1011 WeakPolarHBondContact OD1-CD1 3.32Å; N1008-I1011 WeakPolarHBondContact OD1-CG1 3.49Å; N1008-I1011 PolarHBondContact OD1-N 3.02Å; I1011-R1015 WeakPolarHBondContact O-CD 3.29Å; I1011-R1015 VanDerWaalsContact O-CG 3.27Å; I1011-R1015 WeakPolarHBondContact O-CG 3.39Å; I1011-R1015 PolarHBondContact O-N 2.95Å
1012I98.7Very high97.6Very high0 Ų056.1 Ų56.10%027%0.274CS..Hα-helixtrans-64.9-45.7172.6-69.4169.1000110.3A867 T945 F948 I994 P1007 N1008 F1009 A1010 R1015 I1016A867-I1012 HydrophobicContact CB-CG2 4.14Å; T945-I1012 HydrophobicContact CG2-CD1 4.13Å; F948-I1012 HydrophobicContact CD1-CD1 4.19Å; F948-I1012 HydrophobicContact CD1-CG2 3.92Å; F948-I1012 HydrophobicContact CE1-CG2 3.4Å; F948-I1012 HydrophobicContact CZ-CG2 4.11Å; I994-I1012 HydrophobicContact CG2-CG2 4.39Å; P1007-I1012 HydrophobicContact CB-CG1 4.01Å; P1007-I1012 HydrophobicContact CG-CD1 4.17Å; P1007-I1012 HydrophobicContact CG-CG1 3.72Å; N1008-I1012 WeakPolarHBondContact O-CG1 3.39Å; N1008-I1012 PolarHBondContact O-N 3.44Å; F1009-I1012 HydrophobicContact CD1-CD1 3.76Å; F1009-I1012 HydrophobicContact CE1-CD1 3.85Å; F1009-I1012 HydrophobicContact CG-CD1 4.35Å; F1009-I1012 PolarHBondContact O-N 3.47Å; A1010-I1012 VanDerWaalsContact C-N 3.32Å; A1010-I1012 PolarHBondContact O-N 2.79Å; I1012-R1015 PolarHBondContact O-N 3.41Å; I1012-I1016 HydrophobicContact CG2-CD1 3.69Å; I1012-I1016 HydrophobicContact CG2-CG1 4.37Å; I1012-I1016 WeakPolarHBondContact O-CG1 3.32Å; I1012-I1016 PolarHBondContact O-N 2.66Å
1013L98.6Very high97.7Very high23 Ų2355.5 Ų55.512%0.1228%0.278CS..Hα-helixtrans-63.3-44.9178.5-77.9162.7000112.5R864 A867 C868 Q871 F1009 A1010 R1015 I1016 E1017R864-L1013 HydrophobicContact CG-CD2 3.83Å; A867-L1013 HydrophobicContact CB-CD2 3.6Å; A867-L1013 HydrophobicContact CB-CG 3.83Å; C868-L1013 VanDerWaalsContact SG-CD2 3.51Å; Q871-L1013 HydrophobicContact CB-CD1 4.13Å; F1009-L1013 WeakPolarHBondContact O-CB 3.45Å; F1009-L1013 WeakPolarHBondContact O-CG 3.49Å; F1009-L1013 PolarHBondContact O-N 2.92Å; A1010-L1013 PolarHBondContact O-N 3.45Å; L1013-R1015 PolarHBondContact O-N 2.92Å; L1013-I1016 PolarHBondContact O-N 2.97Å; L1013-E1017 WeakPolarHBondContact O-CB 3.5Å; L1013-E1017 PolarHBondContact O-N 3.25Å
1014E98.1Very high97.7Very high134 Ų13460.6 Ų60.663%0.62630%0.304SS*.Hα-helixtrans-52.6-43.4172.7-175.2-170.8-17300111.7A1010 Y1018A1010-E1014 PolarHBondContact O-N 3.46Å; E1014-Y1018 PolarHBondContact O-N 2.9Å
1015R98.4Very high97.8Very high77 Ų7754.3 Ų54.329%0.29127%0.274SS..Hα-helixtrans-74.3-34.9-179.8-67.9171.3-173.7167.48.9113.2I994 I1011 I1012 L1013 C1019I994-R1015 HydrophobicContact CD1-CB 3.68Å; I994-R1015 HydrophobicContact CG1-CB 3.88Å; I1011-R1015 WeakPolarHBondContact O-CD 3.29Å; I1011-R1015 VanDerWaalsContact O-CG 3.27Å; I1011-R1015 WeakPolarHBondContact O-CG 3.39Å; I1011-R1015 PolarHBondContact O-N 2.95Å; I1012-R1015 PolarHBondContact O-N 3.41Å; L1013-R1015 PolarHBondContact O-N 2.92Å; R1015-C1019 WeakPolarHBondContact O-CB 3.24Å; R1015-C1019 PolarHBondContact O-N 3.43Å; R1015-C1019 PolarHBondContact O-SG 2.62Å
1016I98.5Very high97.8Very high1 Ų151.6 Ų51.61%0.00526%0.259CS..Hα-helixtrans-69.2-40.7173.9-66.4168.4000110.2L860 A863 R864 A867 F948 I994 I1012 L1013 C1019 T1020L860-I1016 HydrophobicContact CD2-CG2 4.22Å; A863-I1016 HydrophobicContact CB-CD1 4.14Å; R864-I1016 HydrophobicContact CB-CG2 3.85Å; A867-I1016 HydrophobicContact CB-CD1 4.02Å; F948-I1016 HydrophobicContact CE1-CD1 4.06Å; F948-I1016 HydrophobicContact CZ-CD1 3.85Å; I994-I1016 HydrophobicContact CD1-CG1 3.88Å; I1012-I1016 HydrophobicContact CG2-CD1 3.69Å; I1012-I1016 HydrophobicContact CG2-CG1 4.37Å; I1012-I1016 WeakPolarHBondContact O-CG1 3.32Å; I1012-I1016 PolarHBondContact O-N 2.66Å; L1013-I1016 PolarHBondContact O-N 2.97Å; I1016-C1019 CarbonylContact O-C 3.23Å; I1016-C1019 WeakPolarHBondContact O-CA 3.31Å; I1016-C1019 WeakPolarHBondContact O-CB 3.34Å; I1016-C1019 PolarHBondContact O-N 2.91Å; I1016-C1019 VanDerWaalsContact O-N 3.16Å; I1016-T1020 WeakPolarHBondContact O-CB 3.23Å; I1016-T1020 PolarHBondContact O-N 3.25Å; I1016-T1020 PolarHBondContact O-OG1 3.4Å
1017E97.5Very high97.7Very high74 Ų7457.6 Ų57.635%0.34629%0.291SS..Hα-helixtrans-64.3-43.9176.8-173.456.1-142.300111L1013 C1019 T1020 Q1021L1013-E1017 WeakPolarHBondContact O-CB 3.5Å; L1013-E1017 PolarHBondContact O-N 3.25Å; E1017-C1019 VanDerWaalsContact C-N 3.32Å; E1017-C1019 PolarHBondContact O-N 2.96Å; E1017-T1020 WeakPolarHBondContact O-CA 3.3Å; E1017-T1020 WeakPolarHBondContact O-CB 3.46Å; E1017-T1020 PolarHBondContact O-N 3.29Å; E1017-Q1021 WeakPolarHBondContact O-CG 3.25Å; E1017-Q1021 PolarHBondContact O-N 2.65Å; E1017-Q1021 PolarHBondContact OE1-NE2 3.03Å
1018Y97.5Very high97.6Very high150 Ų15059.5 Ų59.559%0.58830%0.303SS*.Hα-helixtrans-54.4-47.8169.1-176.7-77.1000111.6E1014 T1020 Q1021 D1022E1014-Y1018 PolarHBondContact O-N 2.9Å; Y1018-T1020 PolarHBondContact O-N 3.35Å; Y1018-Q1021 PolarHBondContact O-N 2.93Å; Y1018-Q1021 VanDerWaalsContact O-N 3.16Å; Y1018-D1022 HydrophobicContact CD1-CB 4.47Å; Y1018-D1022 HydrophobicContact CE1-CB 4.15Å; Y1018-D1022 WeakPolarHBondContact O-CB 3.4Å; Y1018-D1022 PolarHBondContact O-N 2.93Å
1019C98.1Very high97.4Very high3 Ų360.2 Ų60.22%0.0232%0.317CS..Hα-helixtrans-64.8-19.6177-67.80000113.7L860 P990 V991 R1015 I1016 E1017 V1025L860-C1019 WeakPolarHBondContact CD1-O 3.38Å; L860-C1019 HydrophobicContact CD2-CB 3.67Å; P990-C1019 VanDerWaalsContact CB-SG 3.53Å; V991-C1019 HydrophobicContact CG2-CB 4.22Å; R1015-C1019 WeakPolarHBondContact O-CB 3.24Å; R1015-C1019 PolarHBondContact O-N 3.43Å; R1015-C1019 PolarHBondContact O-SG 2.62Å; I1016-C1019 CarbonylContact O-C 3.23Å; I1016-C1019 WeakPolarHBondContact O-CA 3.31Å; I1016-C1019 WeakPolarHBondContact O-CB 3.34Å; I1016-C1019 PolarHBondContact O-N 2.91Å; I1016-C1019 VanDerWaalsContact O-N 3.16Å; E1017-C1019 VanDerWaalsContact C-N 3.32Å; E1017-C1019 PolarHBondContact O-N 2.96Å; C1019-V1025 HydrophobicContact CB-CG1 4.14Å; C1019-V1025 WeakPolarHBondContact O-CB 3.44Å; C1019-V1025 VanDerWaalsContact O-CG1 3.24Å; C1019-V1025 WeakPolarHBondContact O-CG1 3.24Å
1020T97.3Very high97.2Very high19 Ų1960.9 Ų60.912%0.11732%0.321CS..Hα-helixtrans-85.5-24177.6-560000111.7L857 I1016 E1017 Y1018 I1026L857-T1020 HydrophobicContact CD1-CG2 3.7Å; I1016-T1020 WeakPolarHBondContact O-CB 3.23Å; I1016-T1020 PolarHBondContact O-N 3.25Å; I1016-T1020 PolarHBondContact O-OG1 3.4Å; E1017-T1020 WeakPolarHBondContact O-CA 3.3Å; E1017-T1020 WeakPolarHBondContact O-CB 3.46Å; E1017-T1020 PolarHBondContact O-N 3.29Å; Y1018-T1020 PolarHBondContact O-N 3.35Å; T1020-I1026 WeakPolarHBondContact O-CG2 3.23Å
1021Q96.9Very high97Very high134 Ų13459.8 Ų59.863%0.62631%0.31SS*.Hα-helixtrans-94.8-21.6176.9-63.2177.120.700113.2E1017 Y1018 P1023E1017-Q1021 WeakPolarHBondContact O-CG 3.25Å; E1017-Q1021 PolarHBondContact O-N 2.65Å; E1017-Q1021 PolarHBondContact OE1-NE2 3.03Å; Y1018-Q1021 PolarHBondContact O-N 2.93Å; Y1018-Q1021 VanDerWaalsContact O-N 3.16Å; Q1021-P1023 VanDerWaalsContact O-CD 3.28Å; Q1021-P1023 WeakPolarHBondContact O-CD 3.31Å
1022D97.3Very high96.6Very high29 Ų2959.8 Ų59.816%0.15531%0.31CS..  trans-71.3113.3179.4-173-30.1000111.9Y1018 D1024 V1025 I1026Y1018-D1022 HydrophobicContact CD1-CB 4.47Å; Y1018-D1022 HydrophobicContact CE1-CB 4.15Å; Y1018-D1022 WeakPolarHBondContact O-CB 3.4Å; Y1018-D1022 PolarHBondContact O-N 2.93Å; D1022-D1024 VanDerWaalsContact C-N 3.31Å; D1022-D1024 PolarHBondContact O-N 3.33Å; D1022-D1024 PolarHBondContact OD1-N 2.97Å; D1022-V1025 HydrophobicContact CB-CB 4.09Å; D1022-V1025 HydrophobicContact CB-CG2 3.8Å; D1022-V1025 PolarHBondContact O-N 3.41Å; D1022-V1025 PolarHBondContact OD1-N 2.91Å; D1022-I1026 PolarHBondContact O-N 2.91Å; D1022-I1026 VanDerWaalsContact O-N 3.11Å
1023P96.4Very high95.9Very high78 Ų7863 Ų6351%0.50633%0.325SS..Hα-helixtrans-61.8-33.4-177.9-24.436.2000114Q1021 V1025 N1027Q1021-P1023 VanDerWaalsContact O-CD 3.28Å; Q1021-P1023 WeakPolarHBondContact O-CD 3.31Å; P1023-V1025 VanDerWaalsContact C-N 3.28Å; P1023-V1025 PolarHBondContact O-N 2.72Å; P1023-N1027 VanDerWaalsContact O-CB 3.31Å; P1023-N1027 WeakPolarHBondContact O-CB 3.49Å; P1023-N1027 PolarHBondContact O-N 3.34Å; P1023-N1027 VanDerWaalsContact O-N 3.13Å; P1023-N1027 PolarHBondContact O-ND2 3.44Å
1024D96.7Very high94.9Very high136 Ų13671 Ų7173%0.72736%0.355SS*.Hα-helixtrans-72.2-29.8-178.2-70-18.1000110.5D1022 T1028D1022-D1024 VanDerWaalsContact C-N 3.31Å; D1022-D1024 PolarHBondContact O-N 3.33Å; D1022-D1024 PolarHBondContact OD1-N 2.97Å; D1024-T1028 PolarHBondContact O-OG1 3.18Å
1025V97.4Very high93.1Very high2 Ų266.9 Ų66.91%0.01235%0.349CS..Hα-helixtrans-71.3-58.7172.6179.70000110.8M856 L860 P988 P990 V991 C1019 D1022 P1023 N1027 T1028M856-V1025 WeakPolarHBondContact CG-O 3.17Å; L860-V1025 HydrophobicContact CD1-CG1 4.02Å; P988-V1025 HydrophobicContact CB-CB 4.31Å; P988-V1025 HydrophobicContact CB-CG1 3.92Å; P988-V1025 HydrophobicContact CB-CG2 4.09Å; P988-V1025 HydrophobicContact CG-CG1 3.91Å; P990-V1025 HydrophobicContact CB-CG2 3.92Å; P990-V1025 HydrophobicContact CG-CG2 3.59Å; V991-V1025 HydrophobicContact CG2-CG1 4Å; C1019-V1025 HydrophobicContact CB-CG1 4.14Å; C1019-V1025 WeakPolarHBondContact O-CB 3.44Å; C1019-V1025 VanDerWaalsContact O-CG1 3.24Å; C1019-V1025 WeakPolarHBondContact O-CG1 3.24Å; D1022-V1025 HydrophobicContact CB-CB 4.09Å; D1022-V1025 HydrophobicContact CB-CG2 3.8Å; D1022-V1025 PolarHBondContact O-N 3.41Å; D1022-V1025 PolarHBondContact OD1-N 2.91Å; P1023-V1025 VanDerWaalsContact C-N 3.28Å; P1023-V1025 PolarHBondContact O-N 2.72Å; V1025-N1027 VanDerWaalsContact C-N 3.31Å; V1025-N1027 PolarHBondContact O-N 3.49Å; V1025-T1028 WeakPolarHBondContact O-CB 3.24Å; V1025-T1028 PolarHBondContact O-N 3.23Å; V1025-T1028 VanDerWaalsContact O-N 3.12Å
1026I97.2Very high90.6Very high49 Ų4969.3 Ų69.325%0.25137%0.374SS..Hα-helixtrans-68.9-27.5-169.865.6179.6000113.6L857 L860 T1020 D1022L857-I1026 HydrophobicContact CD1-CG2 4.46Å; L860-I1026 HydrophobicContact CD1-CG2 3.89Å; T1020-I1026 WeakPolarHBondContact O-CG2 3.23Å; D1022-I1026 PolarHBondContact O-N 2.91Å; D1022-I1026 VanDerWaalsContact O-N 3.11Å
1027N95Very high87.8Confident128 Ų12876 Ų7668%0.68441%0.41SS*.THydrogen-bonded Turntrans-86.9-2.3176.3-64.6-67000113.6P1023 V1025 A1029P1023-N1027 VanDerWaalsContact O-CB 3.31Å; P1023-N1027 WeakPolarHBondContact O-CB 3.49Å; P1023-N1027 PolarHBondContact O-N 3.34Å; P1023-N1027 VanDerWaalsContact O-N 3.13Å; P1023-N1027 PolarHBondContact O-ND2 3.44Å; V1025-N1027 VanDerWaalsContact C-N 3.31Å; V1025-N1027 PolarHBondContact O-N 3.49Å; N1027-A1029 PolarHBondContact O-N 3.08Å
1028T96.5Very high85.1Confident48 Ų4878.1 Ų78.129%0.29443%0.427SS..SBendtrans-66.4117.5174.5-72.20000110.1M856 N986 P988 D1024 V1025M856-T1028 HydrophobicContact CE-CG2 3.71Å; M856-T1028 VanDerWaalsContact CE-O 3.27Å; M856-T1028 WeakPolarHBondContact CE-O 2.81Å; N986-T1028 HydrophobicContact CB-CG2 4.44Å; N986-T1028 WeakPolarHBondContact O-CG2 3.36Å; P988-T1028 HydrophobicContact CG-CG2 4.12Å; D1024-T1028 PolarHBondContact O-OG1 3.18Å; V1025-T1028 WeakPolarHBondContact O-CB 3.24Å; V1025-T1028 PolarHBondContact O-N 3.23Å; V1025-T1028 VanDerWaalsContact O-N 3.12Å
1029A94.1Very high82.3Confident73 Ų7379.7 Ų79.760%0.60344%0.44SS*.PPolyproline II helixtrans-68131.9-178.100000112.4N986 N1027N986-A1029 WeakPolarHBondContact CB-O 3.38Å; N986-A1029 PolarHBondContact ND2-O 3.35Å; N1027-A1029 PolarHBondContact O-N 3.08Å
1030L95.1Very high79.3Confident17 Ų1788.5 Ų88.59%0.08948%0.481CS..PPolyproline II helixtrans-67.4152.2174-69.5178.8000111.8P846 L854 M856 L859 L958 I1032P846-L1030 HydrophobicContact CG-CB 4.03Å; P846-L1030 HydrophobicContact CG-CD1 4.47Å; L854-L1030 HydrophobicContact CB-CD1 3.89Å; M856-L1030 HydrophobicContact CE-CD2 3.56Å; M856-L1030 HydrophobicContact CE-CG 4.39Å; M856-L1030 HydrophobicContact SD-CD2 3.88Å; L859-L1030 HydrophobicContact CD1-CD1 4Å; L859-L1030 HydrophobicContact CD1-CD2 3.61Å; L859-L1030 HydrophobicContact CD1-CG 4.47Å; L859-L1030 HydrophobicContact CG-CD1 4.39Å; L958-L1030 HydrophobicContact CD2-CD1 4.29Å; L1030-I1032 PolarHBondContact O-N 2.83Å
1031P92.8Very high76.2Confident22 Ų2296 Ų9614%0.14351%0.514CS..PPolyproline II helixtrans-74.6123.1-176.930.3-34.1000111.5K985 E1033K985-P1031 HydrophobicContact CB-CB 4.43Å; K985-P1031 HydrophobicContact CB-CG 4.28Å; K985-P1031 HydrophobicContact CD-CB 3.65Å; K985-P1031 HydrophobicContact CD-CG 4.33Å; K985-P1031 HydrophobicContact CG-CB 3.9Å; K985-P1031 HydrophobicContact CG-CG 4.28Å; P1031-E1033 PolarHBondContact O-N 3.39Å
1032I90.6Very high73.1Confident59 Ų5998.4 Ų98.430%0.30353%0.526SS..PPolyproline II helixtrans-68.1128.4171.4-58.6176.7000109.8P846 P848 P851 L1030 Y1034P846-I1032 HydrophobicContact CB-CG1 4.33Å; P846-I1032 WeakPolarHBondContact O-CA 3.23Å; P848-I1032 HydrophobicContact CG-CG2 4.2Å; P851-I1032 HydrophobicContact CB-CD1 4.31Å; L1030-I1032 PolarHBondContact O-N 2.83Å; I1032-Y1034 HydrophobicContact CB-CE2 4.39Å; I1032-Y1034 HydrophobicContact CG2-CE2 4.33Å
1033E84.8Confident69.9Low67 Ų67106.3 Ų106.331%0.31356%0.559SS.*PPolyproline II helixtrans-89.3116.8172.9-174.1165.8-136.800110.2R845 P846 P848 P1031 G1035R845-E1033 WeakPolarHBondContact CD-OE2 3.4Å; R845-E1033 IonicContact CZ-OE2 2.68Å; R845-E1033 IonicContact NE-OE2 2.74Å; R845-E1033 IonicContact NH1-OE1 2.68Å; R845-E1033 PolarHBondContact NH1-OE1 3.01Å; R845-E1033 IonicContact NH1-OE2 2.88Å; R845-E1033 PolarHBondContact NH1-OE2 2.82Å; P846-E1033 PolarHBondContact O-N 3.41Å; P848-E1033 WeakPolarHBondContact CD-O 3.19Å; P1031-E1033 PolarHBondContact O-N 3.39Å; E1033-G1035 PolarHBondContact O-N 3.37Å
1034Y76.4Confident66.8Low190 Ų190108.6 Ų108.675%0.74557%0.571SS**  trans-86.7107.5177.9-70-95.6000110.1P848 I1032P848-Y1034 HydrophobicContact CG-CD1 4.17Å; P848-Y1034 HydrophobicContact CG-CE1 4.38Å; I1032-Y1034 HydrophobicContact CB-CE2 4.39Å; I1032-Y1034 HydrophobicContact CG2-CE2 4.33Å
1035G59.7Low63.7Low49 Ų49108 Ų10851%0.50557%0.574SS.*  trans-106.7179.8164.600000111.5E1033E1033-G1035 PolarHBondContact O-N 3.37Å
1036P46.8Very low60.6Low127 Ų127114.5 Ų114.583%0.82561%0.614SS**  trans-57145.6163.828-34.4000109.6V1038P1036-V1038 PolarHBondContact O-N 2.79Å
1037L39.3Very low57.4Low143 Ų143123.1 Ų123.175%0.74964%0.643SS**  trans-62.2136.6167-69.6169000108.2E1039L1037-E1039 PolarHBondContact O-N 2.9Å
1038V41.3Very low54.5Low118 Ų118122.5 Ų122.572%0.71565%0.646SS**  trans-73114.6169175.90000106P1036P1036-V1038 PolarHBondContact O-N 2.79Å
1039E37.6Very low51.5Low183 Ų183129.9 Ų129.986%0.85567%0.674SS**  trans-57.9134.5164.1-65.7179.2142.100107.4L1037 E1041L1037-E1039 PolarHBondContact O-N 2.9Å; E1039-E1041 PolarHBondContact O-N 3.17Å
1040E35.6Very low48.6Very low187 Ų187133.9 Ų133.987%0.87469%0.685SS**  trans-59.3115.5-170.4-65.3-168.8119.300110.6E1042E1040-E1042 PolarHBondContact O-N 3.23Å; E1040-E1042 VanDerWaalsContact O-N 3.09Å
1041E33.6Very low45.9Very low176 Ų176138.7 Ų138.782%0.82272%0.718SS**  trans-56.8119174.3-75-174.7140.800109.1E1039 K1043E1039-E1041 PolarHBondContact O-N 3.17Å; E1041-K1043 PolarHBondContact O-N 3.25Å
1042E31.5Very low43.3Very low185 Ų185147.3 Ų147.386%0.86476%0.756SS**  trans-60.1122.1-171.5-169.6171.9-151.800110E1040 V1044E1040-E1042 PolarHBondContact O-N 3.23Å; E1040-E1042 VanDerWaalsContact O-N 3.09Å; E1042-V1044 PolarHBondContact O-N 3.01Å
1043K29Very low40.4Very low195 Ų195147.8 Ų147.885%0.84878%0.775SS**  trans-67.691.6-172.4-77.2174.3179158.20111.4E1041 P1045E1041-K1043 PolarHBondContact O-N 3.25Å; K1043-P1045 WeakPolarHBondContact O-CD 3.32Å
1044V31.5Very low37.8Very low127 Ų127151.1 Ų151.177%0.7780%0.8SS**  trans-49.6120.8166-177.90000108.8E1042 V1046E1042-V1044 PolarHBondContact O-N 3.01Å; V1044-V1046 PolarHBondContact O-N 3.46Å
1045P31.8Very low36Very low122 Ų122147.6 Ų147.679%0.79280%0.8SS**  trans-62.6112.8-173.1-27.536.3000113K1043 R1047K1043-P1045 WeakPolarHBondContact O-CD 3.32Å; P1045-R1047 PolarHBondContact O-N 3.12Å
1046V32.3Very low35.7Very low139 Ų139150.7 Ų150.784%0.84281%0.811SS**PPolyproline II helixtrans-67.2116.7174.21770000109.3V1044V1044-V1046 PolarHBondContact O-N 3.46Å
1047R30.3Very low34.6Very low230 Ų230152 Ų15287%0.86881%0.811SS**PPolyproline II helixtrans-57.3130.9173.5-156.7176.9-164.61633.5109.4P1045P1045-R1047 PolarHBondContact O-N 3.12Å
1048P33.7Very low34Very low115 Ų115152.3 Ų152.375%0.74781%0.812SS**PPolyproline II helixtrans-58.1148.9-179.7-25.835000112.6
1049K33.7Very low33.2Very low204 Ų204153.4 Ų153.489%0.88782%0.819SS**PPolyproline II helixtrans-74142.2171.9-67.9-177.2175.7-176.90110.6
1050D32.9Very low32.5Very low156 Ų156149.3 Ų149.383%0.83481%0.81SS**PPolyproline II helixtrans-65.3146.9174.7-62.6-65.7000112.8
1051P39Very low32.1Very low119 Ų119147.9 Ų147.977%0.77380%0.804SS**PPolyproline II helixtrans-86.4138.4160.834-30.4000111.2
1052E37.7Very low31.7Very low203 Ų203146 Ų14695%0.94980%0.795SS**PPolyproline II helixtrans-70.2143.5178.3-61.7-175.4132.900112.8
1053G30.5Very low31.5Very low68 Ų68141.8 Ų141.870%0.70179%0.792SS**  trans-134.93.9-162.400000119
1054V30.5Very low31.4Very low137 Ų137140.6 Ų140.683%0.8379%0.787SS**  trans65.2174.8170.3-122.80000114.9
1055P36.8Very low31.2Very low117 Ų117144.5 Ų144.576%0.7679%0.788SS**  -129.8-146.1-104.853.4-36.6000113.9
1056P54.1Low30.8Very low113 Ų113147 Ų14773%0.73479%0.789SS**  trans-107.1-177.6-144.743.2-28000114.7
1057L23.9Very low30.6Very low155 Ų155148 Ų14881%0.81278%0.784SS**  trans-175.2142.7132.9-98.5164.1000113.1
1058L26Very low30.5Very low149 Ų149142.9 Ų142.978%0.7877%0.77SS**  trans15.4139.2153-62.4171.4000122
1059V24.5Very low30.2Very low141 Ų141147.3 Ų147.386%0.85577%0.772SS**  -152.5157.4101.9146.10000109.2
1060S24.3Very low29.8Very low97 Ų97142.8 Ų142.868%0.67877%0.766SS**  trans-142.5169.4177.5-173.70000109.9
1061Q26.8Very low30.2Very low157 Ų157141.2 Ų141.273%0.73477%0.765SS**  trans75.1150.3175.2-47.8-176.423.600114.6
1062Q25.9Very low29.7Very low136 Ų136140.3 Ų140.364%0.63677%0.767SS**  cis-154.4158.6-10.4-120.5175.375.600108.4
1063A26Very low29.6Very low98 Ų98135 Ų13581%0.8176%0.758SS**  -163.5169.396.200000114
1064K26.6Very low29.9Very low169 Ų169137.5 Ų137.574%0.73576%0.762SS**  trans-115.8176.4179.2-53.7167.8178.8162.60108.3
1065R27.5Very low30.3Very low209 Ų209136.7 Ų136.779%0.78976%0.76SS**  cis-169.3162.9-6.1-132.7-178.7-173.6-167.70.3107.7
1066E24Very low30.7Very low174 Ų174136.1 Ų136.181%0.81376%0.756SS**  trans169.7119.8133.9-93.5157.3-152.100107.8
1067E28.7Very low29.5Very low161 Ų161138.5 Ų138.575%0.75276%0.762SS**  73.7136.591.3-68.8-167179.900113.9
1068E27.1Very low30.4Very low122 Ų122135.6 Ų135.657%0.5775%0.752SS**  cis-156.2165.21.6-134.3-157.5149.700112.8
1069R26.8Very low30.6Very low209 Ų209134.5 Ų134.579%0.78975%0.751SS**  trans61.1134.6155.1-68.1176.9-165.816124.4123.8
1070S27.3Very low30.9Very low108 Ų108133.6 Ų133.676%0.75575%0.746SS**  trans-92165.7155.960.20000110.9
1071P40Very low31.1Very low124 Ų124134.5 Ų134.581%0.80575%0.753SS**  -155.717788.141.2-21.2000118.4
1072A28.9Very low31.4Very low99 Ų99132.6 Ų132.682%0.81876%0.757SS**  trans-16.7156.7168.100000123.8
1073A35Very low31.6Very low93 Ų93130.1 Ų130.177%0.76977%0.767SS**  trans-86.4152.2165.100000112.8
1074P36.3Very low31.8Very low120 Ų120135.6 Ų135.678%0.77977%0.773SS**  -152-156.1102.436.8-14.1000113.1
1075P40Very low32Very low120 Ų120131.8 Ų131.878%0.77977%0.773SS**  -120.3-121.7-72.643-25.8000113.7
1076P46.1Very low32Very low105 Ų105126.4 Ų126.468%0.68277%0.773SS**  trans-134.3179.2-149.243.5-21.2000119.6
1077L27.7Very low32.3Very low163 Ų163128 Ų12885%0.85378%0.778SS**  trans64.7172.5164.5-69.3168.4000117.1
1078P43.8Very low32.3Very low94 Ų94129.7 Ų129.761%0.6178%0.783SS**  cis-117.9-175.7-1826.8-4.9000112.2
1079T28.8Very low33Very low125 Ų125129.5 Ų129.577%0.76779%0.792SS**  169.5169.495.338.60000110.4
1080T30.4Very low33.2Very low122 Ų122125.9 Ų125.975%0.74879%0.793SS**  -163.7110.7-60.532.70000108.8
1081S30.5Very low33.5Very low117 Ų117125.5 Ų125.582%0.81880%0.796SS**  trans-162.5160.6177.852.90000112.8
1082S32.3Very low33Very low117 Ų117124 Ų12482%0.81879%0.794SS**  cis-168.9104.1-41.750.30000110.8
1083G30Very low33.1Very low83 Ų83127.8 Ų127.886%0.85680%0.795SS**  trans169.5124.2170.500000117.1
1084K30.7Very low32.8Very low213 Ų213129.8 Ų129.893%0.92680%0.797SS**  trans-81.5167.4173-66.4166.9-179.9172.70111.2
1085A29.6Very low32.4Very low90 Ų90129.3 Ų129.374%0.74480%0.797SS**  cis178.9154.3-26.800000110.1
1086A29Very low31.9Very low95 Ų95129.6 Ų129.679%0.78580%0.796SS**  trans60.4155.1155.700000119.2
1087K29.6Very low31Very low208 Ų208135.3 Ų135.390%0.90480%0.804SS**  cis-157.8169.311.1-132.5164.3-171.6-179.50110.9
1088K28.5Very low31.2Very low197 Ų197133.7 Ų133.786%0.85780%0.801SS**  trans-70.9173.1169.1-86.6-176.1176.4-177.10112.3
1089P42.7Very low31.2Very low118 Ų118134.6 Ų134.677%0.76681%0.807SS**  cis-150.6-162.431.946.1-23.3000119.6
1090T30.7Very low31.1Very low133 Ų133140.7 Ų140.782%0.81682%0.816SS**  trans-55.6176.8176.954.90000117.1
1091A32.1Very low31Very low99 Ų99138.2 Ų138.282%0.81882%0.815SS**  cis-158.6-163.519.400000114.7
1092A31.4Very low31.5Very low93 Ų93138.6 Ų138.677%0.76981%0.814SS**  trans-63.4-170.3-176.500000117
1093E29.8Very low31.2Very low178 Ų178137.5 Ų137.583%0.83281%0.812SS**  cis-167.1-168.817.5-153.3176.8-142.100112.1
1094V28.9Very low31.2Very low135 Ų135140 Ų14082%0.81881%0.81SS**  trans84.5164.8161.1175.40000119
1095S27Very low31.1Very low111 Ų111138.9 Ų138.978%0.77681%0.808SS**  trans-161.1-157.6-169-171.50000111.6
1096V29.8Very low31.1Very low125 Ų125138.3 Ų138.376%0.75881%0.812SS**  trans127.5110.4157.5175.80000119.2
1097R28Very low31Very low225 Ų225136.8 Ų136.885%0.84981%0.805SS**  trans58.8120.8140.1-73.9-179.5173.9172.1-1.9126.8
1098V32.2Very low31.1Very low129 Ų129135.6 Ų135.678%0.78280%0.802SS**  53.3126.4108.6174.20000119.8
1099P42.4Very low30.9Very low113 Ų113131.4 Ų131.473%0.73479%0.793SS**  -158150.890.840.7-20.2000122
1100R28Very low30.2Very low254 Ų254132.3 Ų132.396%0.95879%0.791SS**  trans60.5155.4142.3-71.5-179.4173.1173.2-2.7123
1101G28.1Very low30.1Very low70 Ų70134 Ų13472%0.72279%0.792SS**  trans-153.9-178.5166.500000112
1102P41.1Very low29.7Very low125 Ų125133.6 Ų133.681%0.81279%0.788SS**  trans-127.8159.4143.514.68.2000110.8
1103A26.3Very low29.4Very low93 Ų93138.7 Ų138.777%0.76979%0.794SS**  cis74136.542.400000112.8
1104V29.6Very low29.1Very low135 Ų135134.3 Ų134.382%0.81878%0.783SS**  cis-138.3159.813.5-177.20000108.4
1105E29.2Very low28.8Very low190 Ų190136.6 Ų136.689%0.88879%0.785SS**  180145.198.5-86-167.8138.200113.1
1106G29.5Very low28.6Very low79 Ų79135.9 Ų135.981%0.81478%0.779SS**  trans65.9114.116400000118.7
1107G26.5Very low28.3Very low62 Ų62137.7 Ų137.764%0.63979%0.785SS**  cis79.2125.98.600000112.1
1108H30.6Very low29.6Very low184 Ų184132.4 Ų132.485%0.85278%0.78SS**  cis-163.3174.618.8-85.7-84.2000109.9
1109V25.4Very low30.1Very low108 Ų108131.4 Ų131.466%0.65578%0.776SS**  cis-175.2140.4-42.9116.10000108.9
1110N26.8Very low29.4Very low137 Ų137130.5 Ų130.573%0.73377%0.772SS**  trans63.3166.9159.4-74.50.4000118.9
1111M29.4Very low29.2Very low168 Ų168125.9 Ų125.983%0.82876%0.761SS**  cis-160.1-176.6-6.7-121.2-73.9-178.300111.4
1112A23.6Very low29.1Very low91 Ų91127.9 Ų127.975%0.75276%0.755SS**  trans99.7169.915000000119.6
1113F24.3Very low28.4Very low200 Ų200131.2 Ų131.288%0.87776%0.76SS**  trans-141163.5-152.1-128-98000110.4
1114S24.3Very low28.3Very low87 Ų87136.5 Ų136.561%0.60876%0.759SS**  trans77.6137155.5-60.10000121.8
1115Q23.4Very low28Very low183 Ų183136.2 Ų136.286%0.85576%0.758SS**  trans68.9159.9146.5-69.3167.81700119.7
1116S21.9Very low27.8Very low95 Ų95135.7 Ų135.766%0.66476%0.755SS**  cis-171.9130.4-35.556.10000113.4
1117N24.2Very low27.6Very low163 Ų163135.6 Ų135.687%0.87275%0.754SS**  trans56.6-148.4162.9-66.6-4.2000118.4
1118P55.6Low27.6Very low114 Ų114138.3 Ų138.374%0.7476%0.763SS**  -117.1-162.2-104.742.8-27.5000113.3
1119P42.6Very low27.4Very low108 Ų108140.1 Ų140.170%0.70176%0.763SS**  cis-141-161.92.743.9-22.7000116.8
1120S26.2Very low27.4Very low94 Ų94142.2 Ų142.266%0.65777%0.77SS**  trans73.9151.5147.7-73.70000122.1
1121E24.8Very low27.4Very low157 Ų157145.2 Ų145.273%0.73478%0.777SS**  cis-163.4162.2-28.8-127.5176.2145.100114.2
1122L25.2Very low28.2Very low112 Ų112142.7 Ų142.759%0.58677%0.773SS**  trans21.3130.5153.9-74.8163.6000122.5R1124L1122-R1124 HydrophobicContact CD2-CG 4.24Å
1123H27Very low28.3Very low196 Ų196145.1 Ų145.191%0.90778%0.778SS**  -149.1151.3113-122.1-88.3000112.3
1124R23.9Very low28.4Very low203 Ų203140.2 Ų140.277%0.76677%0.769SS**  trans-111.3162.5-178-57.7178.3-179.6-178.20.8111.7L1122L1122-R1124 HydrophobicContact CD2-CG 4.24Å
1125V23.7Very low28.4Very low130 Ų130142.9 Ų142.979%0.78878%0.775SS**  -160.8147.1127.9135.90000112
1126H25Very low28.3Very low179 Ų179144.6 Ų144.683%0.82977%0.774SS**  trans-39.2160.1176.5-47.284.4000117.5
1127G24.7Very low28.8Very low76 Ų76146.7 Ų146.778%0.78478%0.778SS**  cis-166.8-178.13.300000109.8
1128S26.2Very low29.2Very low120 Ų120143.2 Ų143.284%0.83976%0.764SS**  cis-156.1168.332-170.80000113.8
1129R27.3Very low27.8Very low222 Ų222143.5 Ų143.584%0.83876%0.764SS**  trans-43.3140.2179.6-68.2168.1157.6153.6-7.8117.7
1130N26.4Very low27Very low151 Ų151148.9 Ų148.981%0.80777%0.772SS**  177.1136.796.4-99.9-21.9000114.5
1131K26.7Very low27Very low201 Ų201147.5 Ų147.587%0.87477%0.772SS**  trans-168.5162.8164.7-86.7-165.8-176.8-179.10107.5
1132P45.2Very low27Very low115 Ų115144.1 Ų144.175%0.74777%0.766SS**  cis-126.7170.2-23.539.4-26.1000112.4
1133T25Very low27Very low141 Ų141148.8 Ų148.887%0.86578%0.776SS**  trans-158144.1152-0.90000111.6
1134S27.4Very low26.7Very low97 Ų97149 Ų14968%0.67878%0.775SS**  trans-79.9164.1151.549.30000109.6
1135L23.1Very low26.8Very low143 Ų143143.9 Ų143.975%0.74977%0.766SS**  159.4141129-82.3167.5000112.9
1136W21.7Very low26.9Very low220 Ų220146.4 Ų146.483%0.83377%0.769SS**  trans48.2109154.2-66.1109.8000122.8
1137N33.3Very low26.8Very low138 Ų138147.7 Ų147.774%0.73877%0.772SS**  trans-55.6152.7134.8-176.516000110.3
1138P33Very low27.1Very low91 Ų91150 Ų15059%0.59177%0.774SS**  -156.9153.1117.139.5-21.6000118.3
1139T25.7Very low27Very low119 Ų119150.6 Ų150.673%0.7377%0.772SS**  trans64.9156.6137.954.10000122.1
1140Y25.9Very low26.9Very low222 Ų222150.1 Ų150.187%0.87178%0.776SS**  cis-172.6170.8-33.8-143.3-105.1000108.9
1141G25.3Very low26.8Very low64 Ų64152 Ų15266%0.6678%0.777SS**  trans176.496.2167.800000110
1142S26.4Very low26.6Very low86 Ų86150.4 Ų150.460%0.60178%0.778SS**  67.2131.268.3-150.60000110.9
1143W23.6Very low25.5Very low211 Ų211152.1 Ų152.180%0.79978%0.781SS**  cis-142.9151.648.5-65.978.2000114.9T1145W1143-T1145 HydrophobicContact CE3-CG2 4.41Å
1144F21.6Very low26.4Very low201 Ų201149.8 Ų149.888%0.88277%0.768SS**  -158.4158.3111-120.2-82.6000111.7
1145T26.6Very low26.3Very low94 Ų94152.9 Ų152.958%0.57778%0.775SS**  trans-87.6139.5-154.550.20000117.3W1143W1143-T1145 HydrophobicContact CE3-CG2 4.41Å
1146E24.8Very low26.5Very low184 Ų184149.5 Ų149.586%0.8677%0.768SS**  trans13.7152133.2-58.1-172.3125.600122.6
1147K23.8Very low26.8Very low205 Ų205148.4 Ų148.489%0.89177%0.77SS**  trans-113.4140.7162.2-66178.9178.8176.70111.3
1148P29.8Very low26.4Very low126 Ų126151.3 Ų151.382%0.81878%0.775SS**  trans-107.3165.4150.235.4-28.5000112.1
1149T23.9Very low26Very low131 Ų131155.1 Ų155.180%0.80479%0.786SS**  trans-104.6149.9-176.853.30000112.9
1150K24.7Very low27.2Very low213 Ų213154.5 Ų154.593%0.92678%0.783SS**  trans-166.8164.4143.7-110.8158.5-171.3173.90113.3
1151K24.3Very low27.2Very low191 Ų191152.7 Ų152.783%0.8378%0.783SS**  trans-78.4148.4-177.2-57.1170.2178.7177.10111.1
1152N23.5Very low27.3Very low167 Ų167156.1 Ų156.189%0.89378%0.781SS**  -166.8152.2120.2-97.6-9.6000112.8
1153N22.4Very low27.4Very low151 Ų151162.8 Ų162.881%0.80779%0.793SS**  trans-123.6171.9169.6-129.9-0.1000105.4
1154P44.2Very low27.4Very low92 Ų92156.3 Ų156.360%0.59779%0.792SS**  cis-138.5-157.8-436.5-13.5000112.9
1155I25.7Very low27.9Very low161 Ų161154.3 Ų154.383%0.82679%0.791SS**  trans74.2141.4155.5-70.4167.1000117.4
1156A27Very low28Very low73 Ų73157.7 Ų157.760%0.60381%0.805SS**  cis-174175.6-25.500000109.9
1157K26.8Very low28.2Very low197 Ų197151.6 Ų151.686%0.85779%0.791SS**  trans78.8146.6166.1-57166.8-176.41720114.6
1158K26.1Very low28.6Very low198 Ų198149.1 Ų149.186%0.86179%0.787SS**  cis-152.3141.88.9-140.9179.9179.3-169.80112.9
1159E24.5Very low28.6Very low172 Ų172151.3 Ų151.380%0.80479%0.786SS**  trans-80.9-175.2159.3-78.4-174.7143.600111.5
1160P50.4Low28.9Very low105 Ų105147.7 Ų147.768%0.68278%0.775SS**  cis-131.9-167.7-46.737-21.2000110.7
1161H24.9Very low29Very low185 Ų185142.9 Ų142.986%0.85677%0.768SS**  trans-160.5153.8132-123.2-83.7000113.7
1162E29.1Very low29.1Very low135 Ų135138.6 Ų138.663%0.63176%0.761SS**  trans-100.7171.6-179.7-55-178.6147.100114.4
1163R26.8Very low29.3Very low226 Ų226136.8 Ų136.885%0.85376%0.756SS**  trans93.3129.7131.1-153.4-179.8-64.8-162.5-0.8118.8
1164G25.6Very low29.8Very low76 Ų76136.3 Ų136.378%0.78476%0.758SS**  trans169.8118.916600000112.1
1165N31.4Very low30.6Very low159 Ų159137.6 Ų137.685%0.8577%0.767SS**  trans-141.7147.7180-177.625000109.6
1166L27.9Very low32Very low165 Ų165135.7 Ų135.786%0.86477%0.765SS**  trans161.3145.4169.4-92.8157000108.2
1167G29.4Very low32.2Very low56 Ų56139.2 Ų139.258%0.57777%0.773SS**  cis157.9139.7-11.600000113.4
1168L32.3Very low32.4Very low153 Ų153135.5 Ų135.580%0.80177%0.767SS**  trans70.5150.1169.9-50.8124.6000116.6
1169E30.6Very low32.6Very low171 Ų171130.3 Ų130.380%0.79976%0.761SS**  cis-163.5-180-22-117.4-15887.100108.5
1170G29Very low32.9Very low55 Ų55129.5 Ų129.557%0.56777%0.768SS**  cis161.6154.3-2.700000113.1
1171S28.2Very low31.8Very low112 Ų112127.9 Ų127.978%0.78377%0.77SS**  trans67.3154.3165.4-94.80000120.7
1172C26.4Very low31.8Very low102 Ų102131.2 Ų131.269%0.68978%0.775SS**  cis-163.8170.3-8.7-133.80000115.6
1173T26.3Very low31.9Very low129 Ų129132.1 Ų132.179%0.79178%0.784SS**  trans72.5146.8150490000125.4
1174V33.2Very low32.4Very low140 Ų140127.7 Ų127.785%0.84878%0.784SS**  trans-169.9172.3170-94.70000108.4
1175P61.3Low32.5Very low120 Ų120126.9 Ų126.978%0.77978%0.776SS**  cis-105.2-114.7-4.535.9-17.4000111.3
1176P54.3Low32.2Very low120 Ų120123.8 Ų123.878%0.77977%0.773SS**  cis-124.3-145.22.542.4-22.2000113.8
1177N32.3Very low32.1Very low147 Ų147121.3 Ų121.379%0.78677%0.769SS**  -157.9172.2-84.3-169.215.7000112.5
1178V31Very low31.9Very low119 Ų119126.1 Ų126.172%0.72178%0.781SS**  trans91.485.5159.7-163.50000121.5
1179A30.3Very low31.8Very low89 Ų89125.9 Ų125.974%0.73678%0.78SS**  44.2123.6121.500000125.8
1180T29.4Very low31.5Very low155 Ų155124.8 Ų124.895%0.95178%0.778SS**  trans-160.2155.7136.532.80000109.5
1181G27.4Very low32.2Very low71 Ų71129.6 Ų129.673%0.73279%0.786SS**  cis168.9116.8-1100000115.2
1182R26.3Very low32.5Very low255 Ų255130.3 Ų130.396%0.96279%0.788SS**  trans67.9131.5167.6-79.3-171.3175.2-170.9-1.3122
1183L30.4Very low32.7Very low154 Ų154129.8 Ų129.881%0.80679%0.786SS**  trans-73.8167.6154.7-86.4162000110.8
1184P37.2Very low32.9Very low133 Ų133129.1 Ų129.186%0.86479%0.786SS**  cis-135175.535.740.8-22.5000116.4
1185G27.4Very low32.6Very low60 Ų60129.7 Ų129.762%0.61978%0.784SS**  cis172.7-176.8-5.500000113.5
1186A26.6Very low31.2Very low94 Ų94129.6 Ų129.678%0.77778%0.781SS**  trans21.7111.9168.300000119.1
1187S24.4Very low30.2Very low113 Ų113128.1 Ų128.179%0.7978%0.779SS**  87.9154.161.3-70.80000114.1
1188L26.2Very low30.1Very low156 Ų156127.6 Ų127.682%0.81778%0.776SS**  trans72118.4-176.1-46.5178.1000112.9
1189L29.4Very low29.9Very low149 Ų149128.6 Ų128.678%0.7878%0.775SS**  cis62.399.97.3-142.2-169000114.5
1190L25.5Very low29.6Very low147 Ų147131.8 Ų131.877%0.7777%0.772SS**  trans-177.7142.6130.5-101.3162.3000112.7
1191E42Very low29.4Very low156 Ų156131 Ų13173%0.72976%0.758SS**  trans-72.5158.1152.3-60.4-177150.500110
1192P35.6Very low29.3Very low127 Ų127133.8 Ų133.883%0.82576%0.76SS**  trans-115123.5138.6-4.525000109.8
1193S31.4Very low30Very low92 Ų92126.5 Ų126.564%0.64375%0.746SS**  cis71.7122.437.5-56.50000116.2
1194S28.7Very low29.8Very low114 Ų114125.6 Ų125.680%0.79774%0.741SS**  trans-157.1135.3159.1-19.50000106.5
1195L27.8Very low29.3Very low152 Ų152126.4 Ų126.480%0.79673%0.731SS**  cis-144.6126.314.9-86.4165000112.5
1196T31Very low29.4Very low119 Ų119133.5 Ų133.573%0.7374%0.739SS**  40.7121.2127.562.30000121.4
1197A33.5Very low29.4Very low88 Ų88134.3 Ų134.373%0.72773%0.73SS**  96.4156.974.800000113
1198N31Very low29.6Very low137 Ų137138.5 Ų138.573%0.73373%0.729SS**  cis-159.9159.510.8-145.6-7000114.3
1199M25.8Very low29.6Very low140 Ų140138 Ų13869%0.6972%0.722SS**  trans63.1125.2153.3-71.9-68.1155.500125.1
1200K25.7Very low29.5Very low155 Ų155138.7 Ų138.767%0.67472%0.719SS**  trans62.9149.4135.9-79.3-178.4170.7-750121.5
1201E25.2Very low30.2Very low139 Ų139137.6 Ų137.665%0.6572%0.72SS**  cis-170.5165.7-17.1-153.9161.1-138.500110.6
1202V24.8Very low29.5Very low130 Ų130135.5 Ų135.579%0.78872%0.722SS**  trans65.2162.4166-100.10000119
1203P40.8Very low29.1Very low101 Ų101133.1 Ų133.166%0.65672%0.721SS**  -147-166.8-119.646.9-25.3000119.7
1204L26.5Very low28.9Very low135 Ų135136.3 Ų136.371%0.70773%0.73SS**  trans90146.7143-82.9173.7000123.8
1205F26.6Very low28.8Very low151 Ų151135.8 Ų135.866%0.66272%0.722SS**  trans61.8122.2165.7-66-71.8000118
1206R29Very low28.6Very low209 Ų209136 Ų13679%0.78972%0.724SS**  68.7150.269.4-76.6172.1148.5-168.87.7112.7
1207L25.7Very low28.6Very low110 Ų110141.6 Ų141.658%0.57673%0.733SS**  cis-168.7146.427.4-158.775.5000113
1208R28.4Very low28.2Very low202 Ų202141 Ų14176%0.76274%0.736SS**  trans58.1169.1147.8-83.9175.4-166.2164.11.8120.4
1209H27.6Very low28Very low146 Ų146144.8 Ų144.868%0.67674%0.742SS**  cis-172.6138.5-36.3-112.312.7000110.6
1210F26.6Very low28.3Very low162 Ų162145.6 Ų145.671%0.71174%0.744SS**  trans61.4168.3152.3-81.7-80.6000117.8
1211P40.2Very low28.3Very low124 Ų124147.4 Ų147.481%0.80576%0.755SS**  cis-118.9179.520.443.6-30.8000117.3
1212C27.1Very low28.6Very low112 Ų112149.6 Ų149.676%0.75777%0.765SS**  trans-94.9156.6174.7-51.60000112.2
1213G27.1Very low28.7Very low78 Ų78146.7 Ų146.780%0.80476%0.761SS**  trans-161152.1171.100000110.4
1214N28.2Very low28.1Very low158 Ų158149.9 Ų149.985%0.84577%0.772SS**  trans-155.3163.7-163.8-162.37.1000112.9
1215V25.4Very low29.1Very low104 Ų104148.8 Ų148.863%0.6377%0.772SS**  trans87116.2158.1-173.60000121.3
1216N24.3Very low29.1Very low155 Ų155148.5 Ų148.583%0.82978%0.777SS**  trans75.1152.8144.3-69.4-5.5000126.5
1217Y30.6Very low29.1Very low237 Ų237146.8 Ų146.893%0.92978%0.778SS**  trans-70156169.3-76.1-107.3000114
1218G26.3Very low29.2Very low76 Ų76145.9 Ų145.978%0.78479%0.787SS**  trans-163.9146.3169.800000114.7
1219Y27.1Very low29.2Very low217 Ų217140.6 Ų140.685%0.85179%0.786SS**  trans-78.2138.6-167.8-91.2-107.9000117.2
1220Q30.7Very low29.2Very low157 Ų157140 Ų14073%0.73479%0.793SS**  26.3129.1126.4-171.8-178.612.300121.8
1221Q26.9Very low29.4Very low193 Ų193136.8 Ų136.890%0.90280%0.796SS**  trans-153.7178.9143.3-126.1178.28.900113.4
1222Q29.7Very low29.7Very low185 Ų185137.1 Ų137.186%0.86480%0.798SS**  trans-122.6162.5-165.7-56.5166-75.300113.3
1223G28.6Very low29.6Very low68 Ų68135.1 Ų135.170%0.70180%0.797SS**  trans140.5104.3135.100000120.5
1224L28.5Very low29.7Very low169 Ų169137 Ų13789%0.88581%0.805SS**  trans60.3170143-70.7166.2000119.2
1225P45.7Very low29.6Very low111 Ų111132.5 Ų132.572%0.72180%0.795SS**  cis-111.8-159.9-4.345.2-33.2000111.6
1226L28.1Very low29.8Very low145 Ų145136.3 Ų136.376%0.75981%0.806SS**  cis-139.8-122-1.1-165.766.8000111
1227E28.3Very low29.9Very low173 Ų173139 Ų13981%0.80881%0.806SS**  trans-150.4147.8-159.5-64.2175.3104.700114.7
1228A27.7Very low29.8Very low92 Ų92135.9 Ų135.976%0.7680%0.8SS**  trans-176.1116.1135.200000107.1
1229A29.4Very low30Very low90 Ų90139.2 Ų139.274%0.74480%0.8SS**  59.8125.869.600000113.6
1230T27.5Very low30.1Very low134 Ų134134.7 Ų134.782%0.82280%0.795SS**  cis-167.9145-2.1150000109.8
1231A30.6Very low30Very low94 Ų94133.1 Ų133.178%0.77779%0.79SS**  trans21.7-176.8147.600000123.1
1232P45.2Very low30.2Very low131 Ų131131.7 Ų131.785%0.85179%0.788SS**  cis-107.5-161.7-3740.5-26.5000110.3
1233G26.8Very low30.1Very low71 Ų71131.5 Ų131.573%0.73278%0.784SS**  cis141110.5-17.800000115.6
1234A28Very low30.1Very low117 Ų117133.6 Ų133.697%0.96779%0.788SS**  trans70.7145.916800000120.6
1235G26.7Very low30.2Very low63 Ų63134.4 Ų134.465%0.64978%0.784SS**  trans155.3115157.700000118.4
1236H29.1Very low29.5Very low184 Ų184136.4 Ų136.485%0.85279%0.789SS**  trans61.2141.6157.3-55.4-86.1000120.4
1237Y27.2Very low29.6Very low212 Ų212134.3 Ų134.383%0.83179%0.786SS**  cis97.5142.426.2-106.2-89.3000116.8
1238E28.4Very low29.7Very low172 Ų172133.6 Ų133.680%0.80479%0.785SS**  trans69.9121178-55.5-177.5163.300114.9
1239D29Very low29.9Very low146 Ų146135.3 Ų135.378%0.78178%0.782SS**  73.2123.452-91.1-46.3000115.7
1240T30.3Very low30.1Very low121 Ų121139.5 Ų139.574%0.74279%0.786SS**  165.3106116.8-67.10000113.8
1241I28.5Very low31.5Very low124 Ų124138.8 Ų138.864%0.63678%0.783SS**  trans25.6127.4133.1-49.9170.9000120.5K1243I1241-K1243 HydrophobicContact CG2-CD 4.38Å; I1241-K1243 HydrophobicContact CG2-CG 4.44Å
1242L30.4Very low31.6Very low163 Ų163137.6 Ų137.685%0.85378%0.78SS**  trans-174.2109.9131-98.1151.7000109.4
1243K29Very low31.6Very low182 Ų182141.3 Ų141.379%0.79180%0.804SS**  64101.964.8-87.3-176.8175.5172.30117I1241I1241-K1243 HydrophobicContact CG2-CD 4.38Å; I1241-K1243 HydrophobicContact CG2-CG 4.44Å
1244S27.2Very low31.8Very low112 Ų112144.9 Ų144.978%0.78381%0.808SS**  trans169.3102.4131.7-1740000111
1245K31.3Very low32Very low186 Ų186146.3 Ų146.381%0.80980%0.799SS**  54.9112.697.7-82.1-169.1172.8-1720117.2
1246N30.4Very low32.3Very low152 Ų152150.9 Ų150.981%0.81381%0.808SS**  -176.5150.4104.5-96.4-13.5000114.8
1247S30.8Very low32.5Very low101 Ų101149 Ų14971%0.70681%0.805SS**  trans18.8148.3146.5-84.50000122.6
1248M31Very low32.8Very low158 Ų158145.1 Ų145.178%0.77880%0.803SS**  cis-162.6168.213.7-134.7160.7169.700113.5
1249N31Very low33.1Very low129 Ų129143.3 Ų143.369%0.6980%0.803SS**  trans69.1105.9159.8-65.3-7.9000121.6
1250Q34.3Very low33.4Very low178 Ų178143.1 Ų143.183%0.83281%0.805SS**  28.2156113.9-63.8-169.25.400121.9
1251P56Low33.6Very low119 Ų119144.8 Ų144.877%0.77381%0.81SS**  cis-143.6166-38.440.1-23.3000115.4
1252G33.9Very low34Very low68 Ų68146.5 Ų146.570%0.70182%0.824SS**  trans91.1162.4161.600000116.5
1253P43.4Very low34.4Very low210 Ų210145 Ų145100%1.36482%0.822SS**  cis-7601.5-4.322.2000114.1

Retrieved 1,253 of 1,253 residues in 1529.6 ms (Link to these results)

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