A0A3Q0KKP7_SCHMA Loading...

Heparan-sulfate 6-O-sulfotransferase

6-O-sulfation enzyme which catalyzes the transfer of sulfate from 3'-phosphoadenosine 5'-phosphosulfate (PAPS) to position 6 of the N-sulfoglucosamine residue (GlcNS) of heparan sulfate.

AlphaFold DB , UniProt , Accession A0A3Q0KKP7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 407 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
1M42.8Very low56.1Low186 Ų186117.9 Ų117.992%0.91658%0.576SS**  0123.70-89.6174.8166.200108.5
2R43.6Very low59.2Low254 Ų254114.3 Ų114.396%0.95857%0.571SS**PPolyproline II helixtrans-79.4117.9169.6-76-179.4177170.7-0.8107.5
3Y46.6Very low62Low94 Ų94105.5 Ų105.537%0.36953%0.527SS..PPolyproline II helixtrans-85.9128.8174.6-64.4-78.6000109H92 I94Y3-H92 WeakPolarHBondContact CD1-O 3.43Å; Y3-I94 HydrophobicContact CD1-CG1 4.37Å; Y3-I94 HydrophobicContact CD2-CD1 4.09Å; Y3-I94 HydrophobicContact CD2-CG1 4.46Å; Y3-I94 HydrophobicContact CG-CD1 3.96Å; Y3-I94 HydrophobicContact CG-CG1 3.96Å
4T54.6Low64.6Low109 Ų10999.1 Ų99.167%0.66950%0.496SS*.PPolyproline II helixtrans-79.8135.1168.348.40000109.2
5R47.6Very low66.8Low198 Ų19892.5 Ų92.575%0.74746%0.463SS*.EExtended strand (participates in β ladder)trans-93111.7177.1-174.4178.8179.4167.64.5108.5N7R5-N7 PolarHBondContact NE-OD1 3.28Å
6D55.1Low68.8Low60 Ų6087.2 Ų87.232%0.32144%0.436SS..EExtended strand (participates in β ladder)trans-93.9112.3171.2176.222.7000109.2S8 S9 I94 I95D6-S8 WeakPolarHBondContact OD1-CB 3.28Å; D6-S8 PolarHBondContact OD1-N 3.35Å; D6-S8 PolarHBondContact OD1-OG 3.48Å; D6-S9 PolarHBondContact OD2-OG 3.22Å; D6-I94 PolarHBondContact N-O 3.5Å; D6-I95 HydrophobicContact CB-CG2 3.85Å
7N52.1Low70.5Confident133 Ų13382.1 Ų82.171%0.71141%0.41SS*.EExtended strand (participates in β ladder)trans-88.1-4.9178.8-80.5-17.6000112.8R5R5-N7 PolarHBondContact NE-OD1 3.28Å
8S51.9Low72Confident111 Ų11177.9 Ų77.978%0.77639%0.389SS*.EExtended strand (participates in β ladder)trans-94-19-164.3-15.80000114D6D6-S8 WeakPolarHBondContact OD1-CB 3.28Å; D6-S8 PolarHBondContact OD1-N 3.35Å; D6-S8 PolarHBondContact OD1-OG 3.48Å
9S58.1Low73.4Confident29 Ų2973.8 Ų73.820%0.20337%0.369CS..EExtended strand (participates in β ladder)trans-127.2107.2-171.766.60000112.9D6 V11D6-S9 PolarHBondContact OD2-OG 3.22Å; S9-V11 PolarHBondContact O-N 3.27Å; S9-V11 VanDerWaalsContact O-N 3.17Å
10N77.1Confident74.5Confident110 Ų11071.1 Ų71.159%0.58836%0.355SS*.EExtended strand (participates in β ladder)trans-76.399.1167.2-87.9-28.1000109S12 K96N10-S12 PolarHBondContact O-N 3.05Å; N10-K96 WeakPolarHBondContact OD1-CD 3.09Å; N10-K96 WeakPolarHBondContact OD1-CG 3.36Å
11V88.1Confident75.5Confident13 Ų1369.5 Ų69.58%0.07935%0.346CS..EExtended strand (participates in β ladder)trans-77.5123.6177.6179.70000109.7S9 V13 N57 I95 K96 R97 K98S9-V11 PolarHBondContact O-N 3.27Å; S9-V11 VanDerWaalsContact O-N 3.17Å; V11-V13 HydrophobicContact CG1-CG2 4.04Å; V11-N57 HydrophobicContact CG1-CB 3.9Å; V11-N57 HydrophobicContact CG2-CB 3.9Å; V11-I95 HydrophobicContact CB-CD1 3.95Å; V11-I95 HydrophobicContact CG2-CD1 3.51Å; V11-K96 PolarHBondContact N-O 3.09Å; V11-R97 HydrophobicContact CB-CG 4.42Å; V11-R97 CarbonylContact O-C 3.49Å; V11-R97 VanDerWaalsContact O-CA 3.3Å; V11-R97 WeakPolarHBondContact O-CA 3.46Å; V11-K98 PolarHBondContact O-N 3.14Å
12S93Very high78Confident74 Ų7460.7 Ų60.752%0.51730%0.302SS..EExtended strand (participates in β ladder)trans-83.6125.3172.5-64.80000110.4N10 K98N10-S12 PolarHBondContact O-N 3.05Å; S12-K98 WeakPolarHBondContact CA-O 3.41Å
13V96Very high80.3Confident0 Ų050.3 Ų50.30%027%0.271CS..EExtended strand (participates in β ladder)trans-121.6121.9-177.7-175.90000109.8V11 V15 T58 W59 V61 L87 R97 K98 Y99 T100V11-V13 HydrophobicContact CG1-CG2 4.04Å; V13-V15 HydrophobicContact CG1-CG2 4.3Å; V13-T58 VanDerWaalsContact CG2-O 3.31Å; V13-T58 WeakPolarHBondContact CG2-O 3.47Å; V13-W59 WeakPolarHBondContact CA-O 3.19Å; V13-V61 HydrophobicContact CG1-CG2 3.87Å; V13-L87 HydrophobicContact CG1-CD1 4.1Å; V13-L87 HydrophobicContact CG2-CD1 4.47Å; V13-R97 HydrophobicContact CG2-CB 4.25Å; V13-R97 HydrophobicContact CG2-CG 4.16Å; V13-K98 PolarHBondContact N-O 2.98Å; V13-Y99 HydrophobicContact CB-CD1 3.78Å; V13-Y99 HydrophobicContact CB-CE1 3.94Å; V13-Y99 HydrophobicContact CG1-CD1 4.09Å; V13-Y99 HydrophobicContact CG1-CE1 4.12Å; V13-Y99 HydrophobicContact CG2-CE1 4.27Å; V13-Y99 WeakPolarHBondContact O-CA 3.43Å; V13-T100 PolarHBondContact O-N 3.47Å
14L97.4Very high82.5Confident16 Ų1645.9 Ų45.98%0.08425%0.254CS..EExtended strand (participates in β ladder)trans-80.5131.1171.8-54.8-173.1000109W59 L60 V61 T100 F102 L246 I248L14-W59 PolarHBondContact N-O 3.14Å; L14-L60 HydrophobicContact CB-CD1 3.95Å; L14-L60 WeakPolarHBondContact O-CA 3.4Å; L14-V61 PolarHBondContact O-N 3.4Å; L14-T100 HydrophobicContact CD2-CG2 4.35Å; L14-F102 HydrophobicContact CB-CD1 4.45Å; L14-F102 HydrophobicContact CB-CE1 3.85Å; L14-L246 HydrophobicContact CD1-CB 4.49Å; L14-L246 HydrophobicContact CD2-CD2 4.11Å; L14-I248 HydrophobicContact CD1-CG2 4.27Å
15V98Very high84.2Confident0 Ų044.1 Ų44.10%024%0.243CC..EExtended strand (participates in β ladder)trans-121.7111.1-179.6-177.80000109.4V13 V61 L79 I83 Y99 T100 Y101 F102V13-V15 HydrophobicContact CG1-CG2 4.3Å; V15-V61 HydrophobicContact CG1-CB 4.3Å; V15-V61 HydrophobicContact CG1-CG1 4.36Å; V15-V61 HydrophobicContact CG2-CB 4.24Å; V15-V61 HydrophobicContact CG2-CG2 4.39Å; V15-L79 HydrophobicContact CG1-CD1 4.32Å; V15-I83 HydrophobicContact CB-CD1 4.28Å; V15-I83 HydrophobicContact CG1-CD1 3.34Å; V15-I83 HydrophobicContact CG2-CD1 3.91Å; V15-Y99 HydrophobicContact CG2-CD1 3.69Å; V15-Y99 HydrophobicContact CG2-CG 4.36Å; V15-T100 PolarHBondContact N-O 3.17Å; V15-Y101 HydrophobicContact CB-CD1 3.74Å; V15-Y101 HydrophobicContact CB-CE1 3.95Å; V15-Y101 HydrophobicContact CB-CG 4.38Å; V15-Y101 HydrophobicContact CG1-CD1 3.66Å; V15-Y101 HydrophobicContact CG1-CE1 3.66Å; V15-Y101 HydrophobicContact CG2-CD1 4.49Å; V15-Y101 HydrophobicContact CG2-CE1 4.3Å; V15-Y101 WeakPolarHBondContact O-CA 2.75Å; V15-F102 VanDerWaalsContact C-CE1 3.5Å; V15-F102 VanDerWaalsContact O-CD1 3.23Å; V15-F102 WeakPolarHBondContact O-CD1 3.32Å; V15-F102 PolarHBondContact O-N 3.13Å
16F98.3Very high86.3Confident8 Ų836.4 Ų36.44%0.03522%0.217CC..EExtended strand (participates in β ladder)trans-85.4114.1176.5-177.5-123.3000110.9H18 L27 E28 V61 F102F16-H18 HydrophobicContact CD1-CB 3.96Å; F16-H18 HydrophobicContact CE1-CB 3.7Å; F16-H18 AromaticContact CE1-CG 3.77Å; F16-H18 AromaticContact CE1-ND1 3.96Å; F16-H18 PolarHBondContact O-N 3.44Å; F16-L27 HydrophobicContact CD2-CD2 3.84Å; F16-L27 HydrophobicContact CE2-CD2 3.32Å; F16-L27 HydrophobicContact CE2-CG 4.38Å; F16-L27 HydrophobicContact CZ-CD2 3.8Å; F16-E28 HydrophobicContact CD1-CG 3.62Å; F16-E28 HydrophobicContact CE1-CG 3.7Å; F16-V61 PolarHBondContact N-O 3.34Å; F16-F102 WeakPolarHBondContact CA-O 3.36Å; F16-F102 HydrophobicContact CB-CE1 3.84Å; F16-F102 HydrophobicContact CB-CE2 4.1Å; F16-F102 HydrophobicContact CB-CZ 3.58Å; F16-F102 AromaticContact CD2-CD2 3.84Å; F16-F102 HydrophobicContact CD2-CD2 3.84Å; F16-F102 AromaticContact CD2-CE2 3.57Å; F16-F102 HydrophobicContact CD2-CE2 3.57Å; F16-F102 HydrophobicContact CD2-CG 4.47Å; F16-F102 AromaticContact CD2-CZ 3.98Å; F16-F102 HydrophobicContact CD2-CZ 3.98Å; F16-F102 WeakPolarHBondContact CD2-O 3.38Å; F16-F102 HydrophobicContact CE2-CE2 4.44Å; F16-F102 HydrophobicContact CG-CE2 4.16Å; F16-F102 HydrophobicContact CG-CZ 4.13Å
17I98.4Very high88.2Confident0 Ų033.5 Ų33.50%020%0.201CC..EExtended strand (participates in β ladder)trans-80100.7171.2-45.4-179.6000107.8I19 L76 L79 Y101 F102 T103 L180 I226I17-I19 HydrophobicContact CG2-CG1 4.24Å; I17-I19 PolarHBondContact O-N 3.01Å; I17-L76 HydrophobicContact CD1-CB 4.09Å; I17-L76 HydrophobicContact CD1-CD1 3.73Å; I17-L76 HydrophobicContact CD1-CG 4.44Å; I17-L79 HydrophobicContact CB-CD1 4.23Å; I17-L79 HydrophobicContact CG1-CD1 3.9Å; I17-L79 HydrophobicContact CG2-CD1 4.06Å; I17-Y101 HydrophobicContact CD1-CD1 4.17Å; I17-Y101 HydrophobicContact CG1-CD1 4.14Å; I17-F102 PolarHBondContact N-O 3.07Å; I17-T103 PolarHBondContact O-OG1 3.49Å; I17-L180 HydrophobicContact CD1-CD2 4.25Å; I17-I226 HydrophobicContact CD1-CD1 3.65Å; I17-I226 HydrophobicContact CD1-CG1 4.3Å
18H98Very high90.2Very high7 Ų727.2 Ų27.23%0.03217%0.167CC..  trans-81.688.9-176.6-168.5149.8000111.2F16 E28 W68 H73F16-H18 HydrophobicContact CD1-CB 3.96Å; F16-H18 HydrophobicContact CE1-CB 3.7Å; F16-H18 AromaticContact CE1-CG 3.77Å; F16-H18 AromaticContact CE1-ND1 3.96Å; F16-H18 PolarHBondContact O-N 3.44Å; H18-E28 IonicContact CE1-OE2 3.07Å; H18-E28 PolarHBondContact CE1-OE2 3.04Å; H18-E28 IonicContact ND1-OE1 2.91Å; H18-E28 IonicContact ND1-OE2 3.35Å; H18-E28 PolarHBondContact ND1-OE2 3.2Å; H18-W68 HydrophobicContact CB-CH2 3.85Å; H18-W68 HydrophobicContact CB-CZ3 3.94Å; H18-W68 AromaticContact CG-CH2 3.71Å; H18-W68 AromaticContact ND1-CH2 3.64Å; H18-H73 AromaticContact CD2-CE1 3.6Å; H18-H73 AromaticContact CD2-ND1 3.73Å; H18-H73 AromaticContact CG-ND1 3.98Å; H18-H73 AromaticContact NE2-CE1 3.82Å; H18-H73 PolarHBondContact O-ND1 2.84Å
19I98.4Very high92.2Very high0 Ų025 Ų250%014%0.142CC..  trans-79.9127172.3-54.2171.5000110.2I17 T22 T103 L105 R175 Q176 M179 L180I17-I19 HydrophobicContact CG2-CG1 4.24Å; I17-I19 PolarHBondContact O-N 3.01Å; I19-T22 HydrophobicContact CB-CG2 4.04Å; I19-T22 HydrophobicContact CG2-CG2 3.93Å; I19-T22 PolarHBondContact O-N 2.94Å; I19-T22 VanDerWaalsContact O-N 3.1Å; I19-T22 PolarHBondContact O-OG1 3.19Å; I19-T103 HydrophobicContact CD1-CG2 4.41Å; I19-L105 HydrophobicContact CD1-CD2 3.98Å; I19-R175 HydrophobicContact CG2-CG 4.18Å; I19-Q176 HydrophobicContact CG2-CG 3.99Å; I19-M179 HydrophobicContact CB-CE 4.46Å; I19-M179 HydrophobicContact CB-SD 4.21Å; I19-M179 HydrophobicContact CD1-CB 4.45Å; I19-M179 HydrophobicContact CG1-CB 4.2Å; I19-M179 HydrophobicContact CG1-CE 4Å; I19-M179 HydrophobicContact CG1-SD 4.07Å; I19-M179 HydrophobicContact CG2-SD 3.86Å; I19-L180 HydrophobicContact CD1-CD1 4.3Å; I19-L180 HydrophobicContact CD1-CD2 3.85Å; I19-L180 HydrophobicContact CD1-CG 3.93Å
20Q95.6Very high93.8Very high19 Ų1923.9 Ų23.99%0.08913%0.134CC..THydrogen-bonded Turntrans-88.7127.8179.3-174.380.7-2800109.2H73 R111 E115 H118 W125 R175Q20-H73 PolarHBondContact OE1-CE1 2.88Å; Q20-R111 PolarHBondContact O-NH1 3.33Å; Q20-E115 WeakPolarHBondContact CG-OE2 3.33Å; Q20-H118 PolarHBondContact NE2-CD2 2.9Å; Q20-H118 PolarHBondContact NE2-NE2 3.39Å; Q20-W125 HydrophobicContact CB-CH2 4.46Å; Q20-W125 HydrophobicContact CB-CZ2 4.1Å; Q20-W125 HydrophobicContact CG-CZ2 4.36Å; Q20-R175 VanDerWaalsContact CB-NH1 3.26Å; Q20-R175 WeakPolarHBondContact O-CD 3.42Å; Q20-R175 PolarHBondContact O-NH1 2.72Å
21K95.1Very high94.6Very high39 Ų3918.7 Ų18.717%0.1711%0.106CC..THydrogen-bonded Turncis-113.263.76.2-72.8-72.9-167.6-178.20111.5A23 R106 R111 H118K21-A23 VanDerWaalsContact C-N 3.32Å; K21-A23 PolarHBondContact O-N 3.42Å; K21-R106 WeakPolarHBondContact O-CD 3.2Å; K21-R106 PolarHBondContact O-NH1 3.21Å; K21-R111 HydrophobicContact CB-CG 4.4Å; K21-H118 VanDerWaalsContact CE-CB 3.49Å; K21-H118 VanDerWaalsContact CE-CD2 3.43Å; K21-H118 WeakPolarHBondContact CE-CD2 3.43Å; K21-H118 VanDerWaalsContact CE-CG 3.41Å; K21-H118 PolarHBondContact NZ-CD2 3.01Å; K21-H118 PolarHBondContact NZ-CE1 3.09Å; K21-H118 PolarHBondContact NZ-ND1 3.31Å; K21-H118 PolarHBondContact NZ-NE2 3.02Å
22T95Very high94.9Very high0 Ų018.1 Ų18.10%010%0.102CC..SBendtrans-95.437.8-17266.30000113.7I19 G24 L104 R106 R111 S232I19-T22 HydrophobicContact CB-CG2 4.04Å; I19-T22 HydrophobicContact CG2-CG2 3.93Å; I19-T22 PolarHBondContact O-N 2.94Å; I19-T22 VanDerWaalsContact O-N 3.1Å; I19-T22 PolarHBondContact O-OG1 3.19Å; T22-G24 VanDerWaalsContact C-N 3.26Å; T22-G24 PolarHBondContact O-N 3.45Å; T22-L104 WeakPolarHBondContact CB-O 3.48Å; T22-L104 WeakPolarHBondContact CG2-O 3.01Å; T22-L104 WeakPolarHBondContact O-CB 3.43Å; T22-L104 VanDerWaalsContact O-CD1 3.29Å; T22-L104 WeakPolarHBondContact O-CD1 3.49Å; T22-L104 PolarHBondContact OG1-O 3.18Å; T22-R106 HydrophobicContact CG2-CB 3.83Å; T22-R111 HydrophobicContact CG2-CG 4.41Å; T22-S232 PolarHBondContact O-OG 2.8Å
23A91.6Very high94.9Very high36 Ų3618.5 Ų18.530%0.2989%0.094SC..SBendtrans61.224.7-176.600000115.4K21 T25 L26 L27 L104K21-A23 VanDerWaalsContact C-N 3.32Å; K21-A23 PolarHBondContact O-N 3.42Å; A23-T25 VanDerWaalsContact C-N 3.3Å; A23-T25 PolarHBondContact O-N 2.81Å; A23-L26 HydrophobicContact CB-CB 4.48Å; A23-L26 WeakPolarHBondContact O-CB 3.18Å; A23-L26 PolarHBondContact O-N 2.83Å; A23-L27 PolarHBondContact O-N 3.22Å; A23-L104 HydrophobicContact CB-CD1 4.27Å
24G92.8Very high94.6Very high2 Ų220.2 Ų20.22%0.02110%0.104CC..Hα-helixtrans-53.9-40178.200000114.3T22 L26 L27 E28T22-G24 VanDerWaalsContact C-N 3.26Å; T22-G24 PolarHBondContact O-N 3.45Å; G24-L26 VanDerWaalsContact C-N 3.3Å; G24-L26 PolarHBondContact O-N 2.81Å; G24-L27 PolarHBondContact O-N 3.2Å; G24-E28 WeakPolarHBondContact O-CB 3.37Å; G24-E28 VanDerWaalsContact O-CG 3.27Å; G24-E28 WeakPolarHBondContact O-CG 3.48Å; G24-E28 PolarHBondContact O-N 3.31Å
25T91.5Very high94.3Very high71 Ų7119.7 Ų19.744%0.43610%0.102SC..Hα-helixtrans-58.2-38.5175.3-64.30000113.6A23 R29 R63A23-T25 VanDerWaalsContact C-N 3.3Å; A23-T25 PolarHBondContact O-N 2.81Å; T25-R29 VanDerWaalsContact O-CB 3.29Å; T25-R29 WeakPolarHBondContact O-CB 3.5Å; T25-R29 PolarHBondContact O-N 2.93Å; T25-R29 VanDerWaalsContact O-N 3.13Å; T25-R63 PolarHBondContact OG1-NH2 3.32Å
26L90.8Very high94.2Very high36 Ų3619.7 Ų19.719%0.18810%0.102CC..Hα-helixtrans-64.8-53.3177.3172.464.8000109.6A23 G24 E28 R29 R30 L235A23-L26 HydrophobicContact CB-CB 4.48Å; A23-L26 WeakPolarHBondContact O-CB 3.18Å; A23-L26 PolarHBondContact O-N 2.83Å; G24-L26 VanDerWaalsContact C-N 3.3Å; G24-L26 PolarHBondContact O-N 2.81Å; L26-E28 PolarHBondContact O-N 3.05Å; L26-R29 WeakPolarHBondContact O-CB 3.09Å; L26-R29 PolarHBondContact O-N 3.49Å; L26-R30 HydrophobicContact CD1-CG 4.42Å; L26-R30 WeakPolarHBondContact O-CG 3.48Å; L26-R30 PolarHBondContact O-N 3.1Å; L26-L235 HydrophobicContact CD2-CD1 3.77Å; L26-L235 HydrophobicContact CD2-CD2 4.29Å
27L94.4Very high93.9Very high0 Ų022.5 Ų22.50%012%0.12CC..Hα-helixtrans-60.9-47.4-177.8175.558.6000112.2F16 A23 G24 R29 R30 L31 F102 L104 L242 F250 F254F16-L27 HydrophobicContact CD2-CD2 3.84Å; F16-L27 HydrophobicContact CE2-CD2 3.32Å; F16-L27 HydrophobicContact CE2-CG 4.38Å; F16-L27 HydrophobicContact CZ-CD2 3.8Å; A23-L27 PolarHBondContact O-N 3.22Å; G24-L27 PolarHBondContact O-N 3.2Å; L27-R29 VanDerWaalsContact C-N 3.28Å; L27-R29 PolarHBondContact O-N 3.11Å; L27-R30 PolarHBondContact O-N 3.45Å; L27-R30 VanDerWaalsContact O-N 3.14Å; L27-L31 VanDerWaalsContact O-CB 3.25Å; L27-L31 WeakPolarHBondContact O-CB 3.33Å; L27-L31 PolarHBondContact O-N 3.35Å; L27-F102 HydrophobicContact CD2-CD2 4.42Å; L27-F102 HydrophobicContact CD2-CE2 4.03Å; L27-L104 HydrophobicContact CB-CD1 3.75Å; L27-L104 HydrophobicContact CD2-CD1 3.74Å; L27-L104 HydrophobicContact CD2-CD2 4.13Å; L27-L104 HydrophobicContact CD2-CG 3.59Å; L27-L104 HydrophobicContact CG-CD1 4.37Å; L27-L242 HydrophobicContact CD1-CD1 3.99Å; L27-L242 HydrophobicContact CD2-CD1 4.27Å; L27-F250 HydrophobicContact CD1-CE1 3.96Å; L27-F250 HydrophobicContact CD1-CZ 3.76Å; L27-F254 HydrophobicContact CD1-CE1 4.25Å; L27-F254 HydrophobicContact CD1-CE2 4.07Å; L27-F254 HydrophobicContact CD1-CZ 3.44Å; L27-F254 VanDerWaalsContact CD1-CZ 3.44Å
28E95.2Very high93.4Very high0 Ų026.3 Ų26.30%016%0.159CC..Hα-helixtrans-63.3-35.7179.3-68.8-174.6117.100112.1F16 H18 G24 L26 L31 V32 S62 R63 Y64F16-E28 HydrophobicContact CD1-CG 3.62Å; F16-E28 HydrophobicContact CE1-CG 3.7Å; H18-E28 IonicContact CE1-OE2 3.07Å; H18-E28 PolarHBondContact CE1-OE2 3.04Å; H18-E28 IonicContact ND1-OE1 2.91Å; H18-E28 IonicContact ND1-OE2 3.35Å; H18-E28 PolarHBondContact ND1-OE2 3.2Å; G24-E28 WeakPolarHBondContact O-CB 3.37Å; G24-E28 VanDerWaalsContact O-CG 3.27Å; G24-E28 WeakPolarHBondContact O-CG 3.48Å; G24-E28 PolarHBondContact O-N 3.31Å; L26-E28 PolarHBondContact O-N 3.05Å; E28-L31 PolarHBondContact O-N 3.1Å; E28-V32 WeakPolarHBondContact O-CB 3.19Å; E28-V32 WeakPolarHBondContact O-CG2 3.24Å; E28-V32 PolarHBondContact O-N 2.8Å; E28-S62 WeakPolarHBondContact OE1-CB 3.32Å; E28-R63 WeakPolarHBondContact OE1-CA 3.18Å; E28-R63 WeakPolarHBondContact OE1-CB 3.34Å; E28-R63 PolarHBondContact OE1-N 2.81Å; E28-R63 IonicContact OE2-CZ 3.87Å; E28-R63 IonicContact OE2-NE 3.93Å; E28-R63 PolarHBondContact OE2-NE 3.02Å; E28-R63 IonicContact OE2-NH2 2.73Å; E28-R63 PolarHBondContact OE2-NH2 2.96Å; E28-Y64 HydrophobicContact CB-CD1 4.49Å; E28-Y64 HydrophobicContact CB-CD2 3.98Å; E28-Y64 HydrophobicContact CB-CE2 4.48Å; E28-Y64 HydrophobicContact CB-CG 3.96Å
29R92.4Very high92.9Very high65 Ų6530.8 Ų30.825%0.24518%0.178CC..Iπ-helixtrans-62.8-47.6172.6-175.517561.9179.63.1111T25 L26 L27 L31 K33 D34 Y64 E393T25-R29 VanDerWaalsContact O-CB 3.29Å; T25-R29 WeakPolarHBondContact O-CB 3.5Å; T25-R29 PolarHBondContact O-N 2.93Å; T25-R29 VanDerWaalsContact O-N 3.13Å; L26-R29 WeakPolarHBondContact O-CB 3.09Å; L26-R29 PolarHBondContact O-N 3.49Å; L27-R29 VanDerWaalsContact C-N 3.28Å; L27-R29 PolarHBondContact O-N 3.11Å; R29-L31 VanDerWaalsContact C-N 3.32Å; R29-L31 PolarHBondContact O-N 2.66Å; R29-K33 HydrophobicContact CG-CB 4.11Å; R29-K33 WeakPolarHBondContact O-CA 3.35Å; R29-K33 WeakPolarHBondContact O-CB 3.46Å; R29-K33 PolarHBondContact O-N 3.2Å; R29-D34 PolarHBondContact O-N 3.03Å; R29-Y64 HydrophobicContact CB-CE2 3.87Å; R29-E393 IonicContact CZ-OE1 3.69Å; R29-E393 IonicContact NH1-OE1 3.67Å; R29-E393 PolarHBondContact NH1-OE1 2.72Å; R29-E393 IonicContact NH2-OE1 2.72Å; R29-E393 PolarHBondContact NH2-OE1 3.08Å; R29-E393 IonicContact NH2-OE2 2.64Å
30R92.2Very high92.2Very high6 Ų634 Ų342%0.02320%0.198CC..Iπ-helixtrans-62.4-41.1177.7-63.1-40.5-171.4-154.2-5.5112L26 L27 D34 G35 F250 T253 F254L26-R30 HydrophobicContact CD1-CG 4.42Å; L26-R30 WeakPolarHBondContact O-CG 3.48Å; L26-R30 PolarHBondContact O-N 3.1Å; L27-R30 PolarHBondContact O-N 3.45Å; L27-R30 VanDerWaalsContact O-N 3.14Å; R30-D34 WeakPolarHBondContact CD-OD2 3.39Å; R30-D34 IonicContact CZ-OD2 3.86Å; R30-D34 IonicContact NE-OD2 3.87Å; R30-D34 IonicContact NH1-OD1 2.65Å; R30-D34 IonicContact NH1-OD2 3.56Å; R30-D34 PolarHBondContact NH1-OD2 3.15Å; R30-G35 PolarHBondContact O-N 3.46Å; R30-G35 VanDerWaalsContact O-N 3.13Å; R30-F250 HydrophobicContact CB-CD1 3.92Å; R30-F250 HydrophobicContact CB-CE1 4.35Å; R30-T253 PolarHBondContact NE-O 2.89Å; R30-F254 HydrophobicContact CB-CD1 4.21Å; R30-F254 HydrophobicContact CB-CE1 3.8Å; R30-F254 HydrophobicContact CG-CD1 3.68Å; R30-F254 HydrophobicContact CG-CE1 3.78Å
31L94.3Very high92.1Very high0 Ų033.9 Ų33.90%020%0.199CC..Iπ-helixtrans-70.8-40.4-177.1-17560.4000113L27 E28 R29 L36 L60 F102 I248 F250L27-L31 VanDerWaalsContact O-CB 3.25Å; L27-L31 WeakPolarHBondContact O-CB 3.33Å; L27-L31 PolarHBondContact O-N 3.35Å; E28-L31 PolarHBondContact O-N 3.1Å; R29-L31 VanDerWaalsContact C-N 3.32Å; R29-L31 PolarHBondContact O-N 2.66Å; L31-L36 HydrophobicContact CD1-CD1 3.97Å; L31-L36 HydrophobicContact CD1-CD2 3.93Å; L31-L36 HydrophobicContact CD1-CG 4.21Å; L31-L60 HydrophobicContact CD1-CD2 4.38Å; L31-L60 HydrophobicContact CD2-CD1 3.56Å; L31-L60 HydrophobicContact CD2-CD2 3.6Å; L31-L60 HydrophobicContact CD2-CG 4.23Å; L31-L60 HydrophobicContact CG-CD1 4.38Å; L31-L60 HydrophobicContact CG-CD2 3.61Å; L31-F102 HydrophobicContact CD2-CE2 4.28Å; L31-F102 HydrophobicContact CD2-CZ 3.67Å; L31-I248 HydrophobicContact CD1-CD1 4.16Å; L31-F250 HydrophobicContact CB-CE1 4.14Å; L31-F250 HydrophobicContact CD1-CE1 4.02Å
32V95Very high92Very high2 Ų238.8 Ų38.81%0.01222%0.217CC..Iπ-helixtrans-109.1-52.7-169.3-1750000112.8E28 C41 C49 L60E28-V32 WeakPolarHBondContact O-CB 3.19Å; E28-V32 WeakPolarHBondContact O-CG2 3.24Å; E28-V32 PolarHBondContact O-N 2.8Å; V32-C41 HydrophobicContact CG1-CB 4.02Å; V32-C49 HydrophobicContact CG1-CB 3.54Å; V32-L60 HydrophobicContact CG2-CD2 3.66Å
33K91.4Very high91.7Very high81 Ų8141.5 Ų41.535%0.35224%0.236SC..Iπ-helixtrans-81.5-46-170.7-66.5-71.8-179-1780111.7R29 R46 R47 C49 Y64R29-K33 HydrophobicContact CG-CB 4.11Å; R29-K33 WeakPolarHBondContact O-CA 3.35Å; R29-K33 WeakPolarHBondContact O-CB 3.46Å; R29-K33 PolarHBondContact O-N 3.2Å; K33-R46 PolarHBondContact NZ-O 2.91Å; K33-R47 WeakPolarHBondContact CE-O 3.45Å; K33-R47 PolarHBondContact NZ-O 3.16Å; K33-C49 VanDerWaalsContact CE-SG 3.54Å; K33-C49 PolarHBondContact NZ-SG 2.76Å; K33-Y64 HydrophobicContact CG-CD2 3.72Å; K33-Y64 HydrophobicContact CG-CE2 3.96Å
34D90.7Very high91Very high37 Ų3747.4 Ų47.420%0.19826%0.255CS..Iπ-helixtrans-76.1-36.2171.3-60.3-60.2000110.6R29 R30 K251 R252R29-D34 PolarHBondContact O-N 3.03Å; R30-D34 WeakPolarHBondContact CD-OD2 3.39Å; R30-D34 IonicContact CZ-OD2 3.86Å; R30-D34 IonicContact NE-OD2 3.87Å; R30-D34 IonicContact NH1-OD1 2.65Å; R30-D34 IonicContact NH1-OD2 3.56Å; R30-D34 PolarHBondContact NH1-OD2 3.15Å; D34-K251 VanDerWaalsContact O-CD 3.32Å; D34-K251 WeakPolarHBondContact O-CD 3.26Å; D34-R252 HydrophobicContact CB-CB 4.01Å; D34-R252 IonicContact OD1-CZ 3.75Å; D34-R252 IonicContact OD1-NH1 3.16Å; D34-R252 PolarHBondContact OD1-NH1 2.73Å; D34-R252 VanDerWaalsContact OD1-NH1 3.1Å
35G91.9Very high89.8Confident4 Ų458 Ų584%0.04130%0.301CS..  trans86.9-173.4173.600000114.5R30 K251R30-G35 PolarHBondContact O-N 3.46Å; R30-G35 VanDerWaalsContact O-N 3.13Å; G35-K251 WeakPolarHBondContact O-CB 3.26Å; G35-K251 PolarHBondContact O-N 3.12Å
36L94.7Very high88.5Confident1 Ų164 Ų641%0.00532%0.316CS..BIsolated β-bridgetrans-119.2149.9-176.7-57.2175.8000111L31 G38 K39 W59 I248 T249 F250 K251L31-L36 HydrophobicContact CD1-CD1 3.97Å; L31-L36 HydrophobicContact CD1-CD2 3.93Å; L31-L36 HydrophobicContact CD1-CG 4.21Å; L36-G38 PolarHBondContact O-N 3.42Å; L36-K39 CarbonylContact C-O 3.48Å; L36-K39 WeakPolarHBondContact CA-O 3.24Å; L36-K39 HydrophobicContact CB-CB 4.05Å; L36-K39 WeakPolarHBondContact CB-O 3.42Å; L36-K39 HydrophobicContact CD1-CB 4.3Å; L36-K39 HydrophobicContact CD1-CD 4.49Å; L36-K39 PolarHBondContact N-O 3.36Å; L36-K39 CarbonylContact O-C 3.47Å; L36-K39 PolarHBondContact O-N 3.35Å; L36-K39 VanDerWaalsContact O-N 3.15Å; L36-W59 HydrophobicContact CD1-CH2 3.85Å; L36-W59 HydrophobicContact CD1-CZ3 4Å; L36-I248 HydrophobicContact CD1-CB 4.01Å; L36-I248 HydrophobicContact CD1-CD1 4.39Å; L36-I248 HydrophobicContact CD1-CG2 3.85Å; L36-I248 HydrophobicContact CD2-CB 4.28Å; L36-I248 HydrophobicContact CD2-CD1 4.12Å; L36-I248 HydrophobicContact CD2-CG1 4.45Å; L36-T249 CarbonylContact C-O 3.57Å; L36-T249 VanDerWaalsContact CA-O 3.24Å; L36-T249 WeakPolarHBondContact CA-O 3Å; L36-T249 WeakPolarHBondContact CB-O 3.35Å; L36-F250 HydrophobicContact CD2-CD1 3.65Å; L36-F250 HydrophobicContact CD2-CE1 4.05Å; L36-F250 HydrophobicContact CD2-CG 4.19Å; L36-K251 VanDerWaalsContact C-CG 3.46Å; L36-K251 WeakPolarHBondContact O-CE 3.44Å
37V91.7Very high88Confident66 Ų6673.3 Ų73.340%0.435%0.348SS..THydrogen-bonded Turntrans-63.6124.7174.1-177.20000107.8K39 T249 K251V37-K39 PolarHBondContact O-N 3.04Å; V37-T249 HydrophobicContact CB-CG2 4.19Å; V37-T249 HydrophobicContact CG2-CG2 3.68Å; V37-T249 PolarHBondContact N-O 3.16Å; V37-K251 HydrophobicContact CG2-CG 4.11Å
38G88Confident87.8Confident80 Ų8080.4 Ų80.483%0.82538%0.375SS*.THydrogen-bonded Turntrans73.3-2.2-176.400000116.2L36L36-G38 PolarHBondContact O-N 3.42Å
39K87.5Confident87.7Confident102 Ų10280.6 Ų80.644%0.44338%0.376SS..BIsolated β-bridgetrans-137.4122.6174-63.3-178.3-1791800111.2L36 V37 W59L36-K39 CarbonylContact C-O 3.48Å; L36-K39 WeakPolarHBondContact CA-O 3.24Å; L36-K39 HydrophobicContact CB-CB 4.05Å; L36-K39 WeakPolarHBondContact CB-O 3.42Å; L36-K39 HydrophobicContact CD1-CB 4.3Å; L36-K39 HydrophobicContact CD1-CD 4.49Å; L36-K39 PolarHBondContact N-O 3.36Å; L36-K39 CarbonylContact O-C 3.47Å; L36-K39 PolarHBondContact O-N 3.35Å; L36-K39 VanDerWaalsContact O-N 3.15Å; V37-K39 PolarHBondContact O-N 3.04Å; K39-W59 HydrophobicContact CB-CZ2 4.38Å
40T83.8Confident87.8Confident68 Ų6879.8 Ų79.842%0.41738%0.381SS..  trans-117152.8179.650.90000111.3
41C93.7Very high87.9Confident16 Ų1679.6 Ų79.611%0.10838%0.38CS..  trans-107.3139.2165.9-59.10000108.5V32 C49 S50 C51V32-C41 HydrophobicContact CG1-CB 4.02Å; C41-C49 HydrophobicContact CB-CB 3.84Å; C41-S50 CarbonylContact C-O 3.46Å; C41-S50 VanDerWaalsContact CA-O 3.25Å; C41-S50 WeakPolarHBondContact CA-O 3.5Å; C41-C51 HydrophobicContact CB-CB 4.11Å; C41-C51 WeakPolarHBondContact CB-SG 3.38Å; C41-C51 WeakPolarHBondContact SG-CB 3.35Å; C41-C51 CovalentContact SG-SG 2.03Å; C41-C51 PolarHBondContact SG-SG 3.4Å
42Y92.7Very high87.9Confident141 Ų14182.7 Ų82.755%0.55339%0.394SS*.BIsolated β-bridgetrans-86.1116.4179.9-62.5-83.1000110.3C49 S50Y42-C49 CarbonylContact O-C 3.58Å; Y42-C49 VanDerWaalsContact O-CA 3.32Å; Y42-C49 WeakPolarHBondContact O-CA 3.47Å; Y42-C49 WeakPolarHBondContact O-CB 3.46Å; Y42-S50 PolarHBondContact N-O 3.28Å; Y42-S50 PolarHBondContact O-N 3.4Å
43C89.6Confident87.7Confident57 Ų5784.5 Ų84.539%0.38541%0.405SS..  trans-111.689.5-175-590000111.5F45 C49C43-F45 PolarHBondContact O-N 3.41Å; C43-C49 HydrophobicContact CB-CB 3.98Å; C43-C49 WeakPolarHBondContact CB-SG 3.41Å; C43-C49 WeakPolarHBondContact SG-CB 3.23Å; C43-C49 CovalentContact SG-SG 2.02Å; C43-C49 PolarHBondContact SG-SG 3.25Å
44F77.6Confident87.6Confident160 Ų16087.3 Ų87.370%0.70243%0.431SS*.  trans-8791.3175.7-67.7-79.8000111.3R46F44-R46 WeakPolarHBondContact O-CB 3.28Å; F44-R46 WeakPolarHBondContact O-CG 3.41Å; F44-R46 PolarHBondContact O-N 3.07Å
45F66.4Low87.5Confident224 Ų22491.5 Ų91.598%0.98245%0.453SS*.SBendtrans49.50.4171.3-69-82.2000118.1C43C43-F45 PolarHBondContact O-N 3.41Å
46R64.6Low87.4Confident199 Ų19992.7 Ų92.775%0.75147%0.466SS*.SBendtrans-101.5155.1-175.2-74.4-178.2168.3146.7-1.2110.2K33 F44 R48K33-R46 PolarHBondContact NZ-O 2.91Å; F44-R46 WeakPolarHBondContact O-CB 3.28Å; F44-R46 WeakPolarHBondContact O-CG 3.41Å; F44-R46 PolarHBondContact O-N 3.07Å; R46-R48 PolarHBondContact O-N 2.91Å
47R81.2Confident87.3Confident231 Ų23192.9 Ų92.987%0.87247%0.467SS*.SBendtrans-56.1-24.1173.6-66.5-176.7178.5176.50.1112K33K33-R47 WeakPolarHBondContact CE-O 3.45Å; K33-R47 PolarHBondContact NZ-O 3.16Å
48R88.9Confident87.5Confident149 Ų14990 Ų9056%0.56245%0.449SS*.SBendtrans-106.4151.5178.4-67.1-176.1-71.3173.3-2.9113.1R46 Y64 T66R46-R48 PolarHBondContact O-N 2.91Å; R48-Y64 CarbonylContact C-O 3.58Å; R48-Y64 VanDerWaalsContact CA-O 3.26Å; R48-Y64 WeakPolarHBondContact CA-O 3.4Å; R48-T66 PolarHBondContact NH1-O 3.45Å
49C94.3Very high87.8Confident3 Ų387 Ų872%0.0241%0.413CS..  trans-123145.7175.2-49.80000112V32 K33 C41 Y42 C43 C51 Y64 S65V32-C49 HydrophobicContact CG1-CB 3.54Å; K33-C49 VanDerWaalsContact CE-SG 3.54Å; K33-C49 PolarHBondContact NZ-SG 2.76Å; C41-C49 HydrophobicContact CB-CB 3.84Å; Y42-C49 CarbonylContact O-C 3.58Å; Y42-C49 VanDerWaalsContact O-CA 3.32Å; Y42-C49 WeakPolarHBondContact O-CA 3.47Å; Y42-C49 WeakPolarHBondContact O-CB 3.46Å; C43-C49 HydrophobicContact CB-CB 3.98Å; C43-C49 WeakPolarHBondContact CB-SG 3.41Å; C43-C49 WeakPolarHBondContact SG-CB 3.23Å; C43-C49 CovalentContact SG-SG 2.02Å; C43-C49 PolarHBondContact SG-SG 3.25Å; C49-C51 PolarHBondContact O-N 2.99Å; C49-Y64 PolarHBondContact N-O 3.46Å; C49-S65 WeakPolarHBondContact O-CA 3.35Å; C49-S65 PolarHBondContact O-OG 3.17Å
50S93.9Very high88.2Confident49 Ų4982.1 Ų82.134%0.34339%0.392SS..BIsolated β-bridgetrans-80.9115.7175.9-174.10000110.3C41 Y42C41-S50 CarbonylContact C-O 3.46Å; C41-S50 VanDerWaalsContact CA-O 3.25Å; C41-S50 WeakPolarHBondContact CA-O 3.5Å; Y42-S50 PolarHBondContact N-O 3.28Å; Y42-S50 PolarHBondContact O-N 3.4Å
51C95Very high88.9Confident1 Ų179.1 Ų79.11%0.00737%0.373CS..  trans-108.580.3176.5-58.60000108.7C41 C49 W59 L60 S65C41-C51 HydrophobicContact CB-CB 4.11Å; C41-C51 WeakPolarHBondContact CB-SG 3.38Å; C41-C51 WeakPolarHBondContact SG-CB 3.35Å; C41-C51 CovalentContact SG-SG 2.03Å; C41-C51 PolarHBondContact SG-SG 3.4Å; C49-C51 PolarHBondContact O-N 2.99Å; C51-W59 VanDerWaalsContact C-CD1 3.46Å; C51-W59 HydrophobicContact CB-CD2 4.35Å; C51-W59 HydrophobicContact CB-CH2 4.39Å; C51-W59 HydrophobicContact CB-CZ2 3.76Å; C51-W59 PolarHBondContact O-N 3.36Å; C51-W59 VanDerWaalsContact O-N 3.08Å; C51-W59 PolarHBondContact O-NE1 3.49Å; C51-L60 HydrophobicContact CB-CB 3.86Å; C51-L60 HydrophobicContact CB-CD2 4.4Å; C51-S65 WeakPolarHBondContact CB-OG 3.1Å; C51-S65 PolarHBondContact N-OG 3.11Å; C51-S65 VanDerWaalsContact SG-CB 3.59Å; C51-S65 PolarHBondContact SG-OG 3.5Å
52K93.3Very high89Confident66 Ų6678.6 Ų78.629%0.28737%0.37SS..BIsolated β-bridgetrans-113150.1-177.3-71.8-177.6165.7-1370111.4G56 N57 W59 D91K52-G56 WeakPolarHBondContact CD-O 3.42Å; K52-G56 WeakPolarHBondContact CE-O 3.46Å; K52-G56 PolarHBondContact NZ-O 3.18Å; K52-G56 VanDerWaalsContact NZ-O 3.12Å; K52-N57 CarbonylContact C-O 3.58Å; K52-N57 VanDerWaalsContact CA-O 3.27Å; K52-N57 WeakPolarHBondContact CA-O 3.47Å; K52-W59 PolarHBondContact O-NE1 3.44Å; K52-D91 IonicContact NZ-OD1 3.4Å
53T91.4Very high89.1Confident40 Ų4074.7 Ų74.725%0.24535%0.354CS..  trans-72.3166.9171.758.10000109.2N55 G56 N57 W59T53-N55 PolarHBondContact O-N 3.05Å; T53-N55 VanDerWaalsContact O-N 3.13Å; T53-G56 PolarHBondContact O-N 3.09Å; T53-N57 PolarHBondContact N-O 2.8Å; T53-N57 WeakPolarHBondContact OG1-CB 3.22Å; T53-N57 PolarHBondContact OG1-N 3.05Å; T53-N57 VanDerWaalsContact OG1-N 3.12Å; T53-N57 PolarHBondContact OG1-O 3.18Å; T53-W59 HydrophobicContact CG2-CB 3.95Å; T53-W59 HydrophobicContact CG2-CG 4.33Å
54P88.8Confident89.4Confident139 Ų13974.1 Ų74.190%0.90334%0.344SS*.THydrogen-bonded Turntrans-52.8-32.3172.4-28.336.8000113.1G56P54-G56 PolarHBondContact O-N 3.42Å
55N88.4Confident90.2Very high125 Ų12567 Ų6767%0.66831%0.314SS*.THydrogen-bonded Turntrans-79.89.4176.9-59.1-0.1000113.5T53 N57T53-N55 PolarHBondContact O-N 3.05Å; T53-N55 VanDerWaalsContact O-N 3.13Å; N55-N57 VanDerWaalsContact C-N 3.28Å; N55-N57 PolarHBondContact O-N 3.49Å
56G90.2Very high91.6Very high29 Ų2957.2 Ų57.230%0.29927%0.273SS..SBendtrans79-0.217800000115.9K52 T53 P54K52-G56 WeakPolarHBondContact CD-O 3.42Å; K52-G56 WeakPolarHBondContact CE-O 3.46Å; K52-G56 PolarHBondContact NZ-O 3.18Å; K52-G56 VanDerWaalsContact NZ-O 3.12Å; T53-G56 PolarHBondContact O-N 3.09Å; P54-G56 PolarHBondContact O-N 3.42Å
57N92.9Very high93Very high6 Ų648.2 Ų48.23%0.03224%0.241CC..  trans-79.2135.5-179.9-60-58.7000112.2V11 K52 T53 N55 W59 H93 I95V11-N57 HydrophobicContact CG1-CB 3.9Å; V11-N57 HydrophobicContact CG2-CB 3.9Å; K52-N57 CarbonylContact C-O 3.58Å; K52-N57 VanDerWaalsContact CA-O 3.27Å; K52-N57 WeakPolarHBondContact CA-O 3.47Å; T53-N57 PolarHBondContact N-O 2.8Å; T53-N57 WeakPolarHBondContact OG1-CB 3.22Å; T53-N57 PolarHBondContact OG1-N 3.05Å; T53-N57 VanDerWaalsContact OG1-N 3.12Å; T53-N57 PolarHBondContact OG1-O 3.18Å; N55-N57 VanDerWaalsContact C-N 3.28Å; N55-N57 PolarHBondContact O-N 3.49Å; N57-W59 PolarHBondContact O-N 3.49Å; N57-H93 PolarHBondContact OD1-CE1 2.96Å; N57-H93 PolarHBondContact OD1-NE2 2.95Å; N57-I95 HydrophobicContact CB-CD1 4.28Å; N57-I95 WeakPolarHBondContact OD1-CD1 3.44Å
58T95Very high93.6Very high4 Ų441.5 Ų41.53%0.02522%0.216CC..BIsolated β-bridgetrans-64123.9173.6-61.20000110.8V13 L60 T66 L87 D91V13-T58 VanDerWaalsContact CG2-O 3.31Å; V13-T58 WeakPolarHBondContact CG2-O 3.47Å; T58-L60 WeakPolarHBondContact CG2-O 3.46Å; T58-T66 HydrophobicContact CG2-CG2 3.96Å; T58-L87 HydrophobicContact CG2-CD2 3.9Å; T58-D91 WeakPolarHBondContact CB-OD1 3.36Å; T58-D91 PolarHBondContact N-OD1 3.23Å; T58-D91 VanDerWaalsContact N-OD1 3.1Å; T58-D91 PolarHBondContact N-OD2 2.9Å; T58-D91 PolarHBondContact OG1-OD1 3.39Å
59W94.8Very high93.9Very high18 Ų1835.8 Ų35.87%0.06820%0.198CC..  trans-106.8-6.5176.662.1-96.3000113.9V13 L14 L36 K39 C51 K52 T53 N57V13-W59 WeakPolarHBondContact CA-O 3.19Å; L14-W59 PolarHBondContact N-O 3.14Å; L36-W59 HydrophobicContact CD1-CH2 3.85Å; L36-W59 HydrophobicContact CD1-CZ3 4Å; K39-W59 HydrophobicContact CB-CZ2 4.38Å; C51-W59 VanDerWaalsContact C-CD1 3.46Å; C51-W59 HydrophobicContact CB-CD2 4.35Å; C51-W59 HydrophobicContact CB-CH2 4.39Å; C51-W59 HydrophobicContact CB-CZ2 3.76Å; C51-W59 PolarHBondContact O-N 3.36Å; C51-W59 VanDerWaalsContact O-N 3.08Å; C51-W59 PolarHBondContact O-NE1 3.49Å; K52-W59 PolarHBondContact O-NE1 3.44Å; T53-W59 HydrophobicContact CG2-CB 3.95Å; T53-W59 HydrophobicContact CG2-CG 4.33Å; N57-W59 PolarHBondContact O-N 3.49Å
60L96.4Very high94Very high0 Ų036.1 Ų36.10%020%0.2CC..EExtended strand (participates in β ladder)trans-138.8126.2179.6175.663000111.9L14 L31 V32 C51 T58 F102L14-L60 HydrophobicContact CB-CD1 3.95Å; L14-L60 WeakPolarHBondContact O-CA 3.4Å; L31-L60 HydrophobicContact CD1-CD2 4.38Å; L31-L60 HydrophobicContact CD2-CD1 3.56Å; L31-L60 HydrophobicContact CD2-CD2 3.6Å; L31-L60 HydrophobicContact CD2-CG 4.23Å; L31-L60 HydrophobicContact CG-CD1 4.38Å; L31-L60 HydrophobicContact CG-CD2 3.61Å; V32-L60 HydrophobicContact CG2-CD2 3.66Å; C51-L60 HydrophobicContact CB-CB 3.86Å; C51-L60 HydrophobicContact CB-CD2 4.4Å; T58-L60 WeakPolarHBondContact CG2-O 3.46Å; L60-F102 HydrophobicContact CD1-CE1 4.47Å; L60-F102 HydrophobicContact CD1-CZ 4.43Å
61V97.2Very high94Very high5 Ų534.4 Ų34.43%0.0319%0.19CC..EExtended strand (participates in β ladder)trans-104.3115.3168179.10000108.6V13 L14 V15 F16 T66 V69 I83 L87V13-V61 HydrophobicContact CG1-CG2 3.87Å; L14-V61 PolarHBondContact O-N 3.4Å; V15-V61 HydrophobicContact CG1-CB 4.3Å; V15-V61 HydrophobicContact CG1-CG1 4.36Å; V15-V61 HydrophobicContact CG2-CB 4.24Å; V15-V61 HydrophobicContact CG2-CG2 4.39Å; F16-V61 PolarHBondContact N-O 3.34Å; V61-T66 HydrophobicContact CG2-CG2 4.4Å; V61-V69 HydrophobicContact CG1-CG1 4.07Å; V61-I83 HydrophobicContact CG1-CD1 4.22Å; V61-I83 HydrophobicContact CG1-CG1 4.47Å; V61-I83 HydrophobicContact CG2-CG2 4.13Å; V61-L87 HydrophobicContact CG2-CD1 3.96Å; V61-L87 HydrophobicContact CG2-CD2 4.09Å; V61-L87 HydrophobicContact CG2-CG 4.41Å
62S96.8Very high94.1Very high4 Ų435.7 Ų35.73%0.02820%0.197CC..SBendtrans-159.7164.3176.472.10000109.9E28 Y64 S65 T66 G67E28-S62 WeakPolarHBondContact OE1-CB 3.32Å; S62-Y64 PolarHBondContact O-N 2.93Å; S62-S65 CarbonylContact O-C 3.51Å; S62-S65 PolarHBondContact O-N 3.11Å; S62-S65 VanDerWaalsContact O-N 3.12Å; S62-S65 PolarHBondContact OG-N 2.88Å; S62-S65 VanDerWaalsContact OG-N 3.14Å; S62-T66 PolarHBondContact N-OG1 3.48Å; S62-T66 PolarHBondContact O-N 2.84Å; S62-T66 PolarHBondContact O-OG1 3.23Å; S62-T66 VanDerWaalsContact O-OG1 3.11Å; S62-G67 PolarHBondContact O-N 3.47Å
63R95.4Very high94.2Very high60 Ų6033.4 Ų33.423%0.22619%0.187CC..THydrogen-bonded Turntrans-60.6-35.3175.5179.7-171.458.9119.1-3.7111.8T25 E28 S65 G67 W68T25-R63 PolarHBondContact OG1-NH2 3.32Å; E28-R63 WeakPolarHBondContact OE1-CA 3.18Å; E28-R63 WeakPolarHBondContact OE1-CB 3.34Å; E28-R63 PolarHBondContact OE1-N 2.81Å; E28-R63 IonicContact OE2-CZ 3.87Å; E28-R63 IonicContact OE2-NE 3.93Å; E28-R63 PolarHBondContact OE2-NE 3.02Å; E28-R63 IonicContact OE2-NH2 2.73Å; E28-R63 PolarHBondContact OE2-NH2 2.96Å; R63-S65 VanDerWaalsContact C-N 3.34Å; R63-G67 VanDerWaalsContact O-CA 3.29Å; R63-G67 WeakPolarHBondContact O-CA 3.34Å; R63-G67 PolarHBondContact O-N 3.4Å; R63-W68 HydrophobicContact CB-CD2 4.43Å; R63-W68 HydrophobicContact CB-CH2 4.38Å; R63-W68 HydrophobicContact CB-CZ2 4.25Å; R63-W68 HydrophobicContact CG-CD2 4.22Å; R63-W68 HydrophobicContact CG-CZ2 3.91Å
64Y95Very high94.5Very high45 Ų4531.7 Ų31.718%0.17618%0.177CC..THydrogen-bonded Turntrans-79.5-15.8178.5-83.114.7000113.5E28 R29 K33 R48 C49 S62E28-Y64 HydrophobicContact CB-CD1 4.49Å; E28-Y64 HydrophobicContact CB-CD2 3.98Å; E28-Y64 HydrophobicContact CB-CE2 4.48Å; E28-Y64 HydrophobicContact CB-CG 3.96Å; R29-Y64 HydrophobicContact CB-CE2 3.87Å; K33-Y64 HydrophobicContact CG-CD2 3.72Å; K33-Y64 HydrophobicContact CG-CE2 3.96Å; R48-Y64 CarbonylContact C-O 3.58Å; R48-Y64 VanDerWaalsContact CA-O 3.26Å; R48-Y64 WeakPolarHBondContact CA-O 3.4Å; C49-Y64 PolarHBondContact N-O 3.46Å; S62-Y64 PolarHBondContact O-N 2.93Å
65S95.2Very high95Very high10 Ų1025.1 Ų25.17%0.0713%0.134CC..THydrogen-bonded Turntrans-101.4-85.6173.1-171.30000112.5C49 C51 S62 R63 G67C49-S65 WeakPolarHBondContact O-CA 3.35Å; C49-S65 PolarHBondContact O-OG 3.17Å; C51-S65 WeakPolarHBondContact CB-OG 3.1Å; C51-S65 PolarHBondContact N-OG 3.11Å; C51-S65 VanDerWaalsContact SG-CB 3.59Å; C51-S65 PolarHBondContact SG-OG 3.5Å; S62-S65 CarbonylContact O-C 3.51Å; S62-S65 PolarHBondContact O-N 3.11Å; S62-S65 VanDerWaalsContact O-N 3.12Å; S62-S65 PolarHBondContact OG-N 2.88Å; S62-S65 VanDerWaalsContact OG-N 3.14Å; R63-S65 VanDerWaalsContact C-N 3.34Å; S65-G67 PolarHBondContact O-N 3.27Å
66T94.9Very high95.5Very high19 Ų1919.5 Ų19.512%0.11710%0.104CC..THydrogen-bonded Turntrans-70.7-18.7-179.2510000113R48 T58 V61 S62 L87R48-T66 PolarHBondContact NH1-O 3.45Å; T58-T66 HydrophobicContact CG2-CG2 3.96Å; V61-T66 HydrophobicContact CG2-CG2 4.4Å; S62-T66 PolarHBondContact N-OG1 3.48Å; S62-T66 PolarHBondContact O-N 2.84Å; S62-T66 PolarHBondContact O-OG1 3.23Å; S62-T66 VanDerWaalsContact O-OG1 3.11Å; T66-L87 HydrophobicContact CG2-CD2 4.35Å
67G94.3Very high95.8Very high9 Ų918.3 Ų18.39%0.0939%0.091CC..  trans79.9-166.5-167.200000111.4S62 R63 S65 V69S62-G67 PolarHBondContact O-N 3.47Å; R63-G67 VanDerWaalsContact O-CA 3.29Å; R63-G67 WeakPolarHBondContact O-CA 3.34Å; R63-G67 PolarHBondContact O-N 3.4Å; S65-G67 PolarHBondContact O-N 3.27Å; G67-V69 PolarHBondContact O-N 2.73Å
68W94.7Very high96.1Very high90 Ų9018.2 Ų18.234%0.3419%0.091SC..SBendtrans-74.556.9174.2-62.8124.3000111.7H18 R63 C70 G71 L72 H73H18-W68 HydrophobicContact CB-CH2 3.85Å; H18-W68 HydrophobicContact CB-CZ3 3.94Å; H18-W68 AromaticContact CG-CH2 3.71Å; H18-W68 AromaticContact ND1-CH2 3.64Å; R63-W68 HydrophobicContact CB-CD2 4.43Å; R63-W68 HydrophobicContact CB-CH2 4.38Å; R63-W68 HydrophobicContact CB-CZ2 4.25Å; R63-W68 HydrophobicContact CG-CD2 4.22Å; R63-W68 HydrophobicContact CG-CZ2 3.91Å; W68-C70 PolarHBondContact O-N 3.08Å; W68-C70 VanDerWaalsContact O-N 3.1Å; W68-G71 WeakPolarHBondContact CB-O 3.32Å; W68-G71 PolarHBondContact O-N 3.31Å; W68-L72 HydrophobicContact CD2-CD1 3.97Å; W68-L72 VanDerWaalsContact CE2-CD1 3.41Å; W68-L72 HydrophobicContact CG-CD1 4.32Å; W68-L72 HydrophobicContact CH2-CD1 4.35Å; W68-L72 HydrophobicContact CZ2-CD1 3.58Å; W68-H73 VanDerWaalsContact CE3-N 3.32Å; W68-H73 AromaticContact CH2-CE1 3.39Å; W68-H73 WeakPolarHBondContact CH2-CE1 3.44Å; W68-H73 AromaticContact CH2-CG 3.79Å; W68-H73 AromaticContact CH2-ND1 3.28Å; W68-H73 VanDerWaalsContact CH2-ND1 3.28Å; W68-H73 WeakPolarHBondContact CH2-ND1 3.47Å; W68-H73 AromaticContact CH2-NE2 3.97Å; W68-H73 AromaticContact CZ2-CE1 3.74Å; W68-H73 AromaticContact CZ2-NE2 3.94Å; W68-H73 AromaticContact CZ3-ND1 3.94Å
69V95.1Very high96.2Very high30 Ų3018.7 Ų18.718%0.1829%0.093CC..THydrogen-bonded Turntrans-60.6-25.9-169.669.10000113.3V61 G67 K86V61-V69 HydrophobicContact CG1-CG1 4.07Å; G67-V69 PolarHBondContact O-N 2.73Å; V69-K86 HydrophobicContact CG2-CB 3.64Å; V69-K86 HydrophobicContact CG2-CD 4.17Å; V69-K86 HydrophobicContact CG2-CG 3.95Å; V69-K86 WeakPolarHBondContact O-CE 3.08Å
70C96.1Very high96.4Very high10 Ų1021.7 Ų21.77%0.06811%0.113CC..THydrogen-bonded Turntrans-113.315.4178-690000114W68 A74 L79 C82W68-C70 PolarHBondContact O-N 3.08Å; W68-C70 VanDerWaalsContact O-N 3.1Å; C70-A74 HydrophobicContact CB-CB 4.13Å; C70-L79 HydrophobicContact CB-CD2 4.1Å; C70-C82 WeakPolarHBondContact CA-SG 3.38Å; C70-C82 HydrophobicContact CB-CB 3.66Å; C70-C82 WeakPolarHBondContact CB-SG 3.01Å; C70-C82 WeakPolarHBondContact SG-CB 3.49Å; C70-C82 CovalentContact SG-SG 2.04Å; C70-C82 PolarHBondContact SG-SG 2.94Å
71G94.2Very high96.4Very high12 Ų1224.1 Ų24.112%0.12412%0.124CC..SBendtrans108.2161.3-175.200000113.2W68 H73 T129W68-G71 WeakPolarHBondContact CB-O 3.32Å; W68-G71 PolarHBondContact O-N 3.31Å; G71-H73 PolarHBondContact O-N 3.45Å; G71-T129 WeakPolarHBondContact CA-OG1 3.31Å
72L95.5Very high96.4Very high28 Ų2824.8 Ų24.815%0.14713%0.129CC..THydrogen-bonded Turntrans-66.5120.4178.3175.267.1000109.6W68 A74 S127W68-L72 HydrophobicContact CD2-CD1 3.97Å; W68-L72 VanDerWaalsContact CE2-CD1 3.41Å; W68-L72 HydrophobicContact CG-CD1 4.32Å; W68-L72 HydrophobicContact CH2-CD1 4.35Å; W68-L72 HydrophobicContact CZ2-CD1 3.58Å; L72-A74 VanDerWaalsContact C-N 3.26Å; L72-A74 PolarHBondContact O-N 3.22Å; L72-S127 WeakPolarHBondContact CD2-OG 3.38Å
73H96.5Very high96.4Very high18 Ų1824.7 Ų24.78%0.08313%0.129CC..THydrogen-bonded Turntrans52.940.2179.3-63.7-68.3000113.9H18 Q20 W68 G71 D75 W125 M179H18-H73 AromaticContact CD2-CE1 3.6Å; H18-H73 AromaticContact CD2-ND1 3.73Å; H18-H73 AromaticContact CG-ND1 3.98Å; H18-H73 AromaticContact NE2-CE1 3.82Å; H18-H73 PolarHBondContact O-ND1 2.84Å; Q20-H73 PolarHBondContact OE1-CE1 2.88Å; W68-H73 VanDerWaalsContact CE3-N 3.32Å; W68-H73 AromaticContact CH2-CE1 3.39Å; W68-H73 WeakPolarHBondContact CH2-CE1 3.44Å; W68-H73 AromaticContact CH2-CG 3.79Å; W68-H73 AromaticContact CH2-ND1 3.28Å; W68-H73 VanDerWaalsContact CH2-ND1 3.28Å; W68-H73 WeakPolarHBondContact CH2-ND1 3.47Å; W68-H73 AromaticContact CH2-NE2 3.97Å; W68-H73 AromaticContact CZ2-CE1 3.74Å; W68-H73 AromaticContact CZ2-NE2 3.94Å; W68-H73 AromaticContact CZ3-ND1 3.94Å; G71-H73 PolarHBondContact O-N 3.45Å; H73-D75 PolarHBondContact O-N 3.45Å; H73-W125 HydrophobicContact CB-CH2 3.47Å; H73-W125 VanDerWaalsContact CB-CH2 3.47Å; H73-W125 HydrophobicContact CB-CZ3 3.62Å; H73-W125 AromaticContact CD2-CH2 3.73Å; H73-W125 AromaticContact CG-CH2 3.74Å; H73-M179 HydrophobicContact CB-CE 4.28Å; H73-M179 WeakPolarHBondContact O-CE 3.21Å
74A97.8Very high96.4Very high4 Ų424.7 Ų24.73%0.03313%0.133CC..  trans-51.1131175.100000111.7C70 L72 E78 L79C70-A74 HydrophobicContact CB-CB 4.13Å; L72-A74 VanDerWaalsContact C-N 3.26Å; L72-A74 PolarHBondContact O-N 3.22Å; A74-E78 WeakPolarHBondContact CA-OE2 2.97Å; A74-E78 HydrophobicContact CB-CB 4.03Å; A74-E78 HydrophobicContact CB-CG 3.78Å; A74-E78 WeakPolarHBondContact CB-OE2 3.25Å; A74-L79 HydrophobicContact CB-CD2 3.87Å; A74-L79 HydrophobicContact CB-CG 3.87Å; A74-L79 WeakPolarHBondContact O-CD1 3.33Å
75D98.3Very high96.4Very high1 Ų127.1 Ų27.11%0.00515%0.149CC..  trans-76.1175.5177.960.961.3000112.2H73 T77 E78 L79 M179 L183 Y189H73-D75 PolarHBondContact O-N 3.45Å; D75-T77 PolarHBondContact O-N 2.97Å; D75-T77 WeakPolarHBondContact OD1-CA 3.18Å; D75-T77 WeakPolarHBondContact OD1-CB 3.37Å; D75-T77 PolarHBondContact OD1-N 3.43Å; D75-E78 PolarHBondContact O-N 2.81Å; D75-E78 PolarHBondContact OD1-N 3.41Å; D75-L79 VanDerWaalsContact O-CB 3.31Å; D75-L79 WeakPolarHBondContact O-CB 3.44Å; D75-L79 WeakPolarHBondContact O-CG 3.32Å; D75-L79 PolarHBondContact O-N 3.37Å; D75-M179 HydrophobicContact CB-CB 4.01Å; D75-M179 HydrophobicContact CB-CG 4.13Å; D75-M179 WeakPolarHBondContact CB-O 3.25Å; D75-L183 WeakPolarHBondContact OD2-CD1 3.45Å; D75-Y189 PolarHBondContact OD2-OH 3.3Å
76L98.4Very high96.4Very high7 Ų730.5 Ų30.54%0.03716%0.163CC..Hα-helixtrans-55.8-38.7179.617963.5000112.4I17 T80 Y101 M179 N221 I225 I226I17-L76 HydrophobicContact CD1-CB 4.09Å; I17-L76 HydrophobicContact CD1-CD1 3.73Å; I17-L76 HydrophobicContact CD1-CG 4.44Å; L76-T80 VanDerWaalsContact O-CB 3.31Å; L76-T80 WeakPolarHBondContact O-CB 3.43Å; L76-T80 PolarHBondContact O-N 3.41Å; L76-T80 PolarHBondContact O-OG1 3.38Å; L76-Y101 HydrophobicContact CD1-CD1 3.76Å; L76-Y101 HydrophobicContact CD1-CD2 4.36Å; L76-Y101 HydrophobicContact CD1-CE1 4.02Å; L76-Y101 HydrophobicContact CD1-CG 3.94Å; L76-M179 PolarHBondContact N-O 3.17Å; L76-N221 HydrophobicContact CD2-CB 3.86Å; L76-N221 WeakPolarHBondContact CD2-ND2 3.46Å; L76-I225 HydrophobicContact CD1-CG2 4.28Å; L76-I225 HydrophobicContact CD2-CG2 4.3Å; L76-I226 HydrophobicContact CD2-CD1 4.25Å
77T98.5Very high96.4Very high5 Ų529.7 Ų29.73%0.03116%0.157CC..Hα-helixtrans-68-52.6-179.1-55.50000109.6D75 L79 T80 E81 A181 L183D75-T77 PolarHBondContact O-N 2.97Å; D75-T77 WeakPolarHBondContact OD1-CA 3.18Å; D75-T77 WeakPolarHBondContact OD1-CB 3.37Å; D75-T77 PolarHBondContact OD1-N 3.43Å; T77-L79 VanDerWaalsContact C-N 3.33Å; T77-L79 PolarHBondContact O-N 2.84Å; T77-T80 PolarHBondContact O-N 2.83Å; T77-T80 VanDerWaalsContact O-N 3.16Å; T77-E81 WeakPolarHBondContact O-CG 3.44Å; T77-E81 PolarHBondContact O-N 3.18Å; T77-A181 PolarHBondContact OG1-O 3.01Å; T77-L183 HydrophobicContact CG2-CB 4.34Å; T77-L183 PolarHBondContact OG1-N 2.71Å
78E98.1Very high96.4Very high4 Ų430 Ų302%0.01916%0.157CC..Hα-helixtrans-59.1-43.2179.3-176.4163.8-145.800112A74 D75 E81 C82 T129 L130 R131A74-E78 WeakPolarHBondContact CA-OE2 2.97Å; A74-E78 HydrophobicContact CB-CB 4.03Å; A74-E78 HydrophobicContact CB-CG 3.78Å; A74-E78 WeakPolarHBondContact CB-OE2 3.25Å; D75-E78 PolarHBondContact O-N 2.81Å; D75-E78 PolarHBondContact OD1-N 3.41Å; E78-E81 PolarHBondContact O-N 2.85Å; E78-C82 WeakPolarHBondContact O-CB 3.49Å; E78-C82 PolarHBondContact O-N 3.27Å; E78-C82 VanDerWaalsContact O-N 3.12Å; E78-T129 WeakPolarHBondContact OE1-CB 3.13Å; E78-T129 PolarHBondContact OE1-OG1 2.83Å; E78-L130 PolarHBondContact OE1-N 3.27Å; E78-R131 WeakPolarHBondContact CB-O 3.34Å; E78-R131 VanDerWaalsContact CD-N 3.27Å; E78-R131 HydrophobicContact CG-CB 4.11Å; E78-R131 VanDerWaalsContact OE1-CB 3.28Å; E78-R131 WeakPolarHBondContact OE1-CB 3.37Å; E78-R131 WeakPolarHBondContact OE1-CG 3.42Å; E78-R131 PolarHBondContact OE1-N 2.94Å
79L98.1Very high96.4Very high13 Ų1331.9 Ų31.97%0.06817%0.168CC..Hα-helixtrans-62.8-43.6176.6-72.6168.7000111.8V15 I17 C70 A74 D75 T77 E81 C82 I83 Y101V15-L79 HydrophobicContact CG1-CD1 4.32Å; I17-L79 HydrophobicContact CB-CD1 4.23Å; I17-L79 HydrophobicContact CG1-CD1 3.9Å; I17-L79 HydrophobicContact CG2-CD1 4.06Å; C70-L79 HydrophobicContact CB-CD2 4.1Å; A74-L79 HydrophobicContact CB-CD2 3.87Å; A74-L79 HydrophobicContact CB-CG 3.87Å; A74-L79 WeakPolarHBondContact O-CD1 3.33Å; D75-L79 VanDerWaalsContact O-CB 3.31Å; D75-L79 WeakPolarHBondContact O-CB 3.44Å; D75-L79 WeakPolarHBondContact O-CG 3.32Å; D75-L79 PolarHBondContact O-N 3.37Å; T77-L79 VanDerWaalsContact C-N 3.33Å; T77-L79 PolarHBondContact O-N 2.84Å; L79-E81 VanDerWaalsContact C-N 3.34Å; L79-E81 PolarHBondContact O-N 3.38Å; L79-C82 PolarHBondContact O-N 2.79Å; L79-I83 HydrophobicContact CB-CD1 3.76Å; L79-I83 HydrophobicContact CB-CG1 4.35Å; L79-I83 HydrophobicContact CD2-CD1 3.77Å; L79-I83 HydrophobicContact CD2-CG1 4.12Å; L79-I83 HydrophobicContact CG-CD1 4.3Å; L79-I83 WeakPolarHBondContact O-CB 3.17Å; L79-I83 WeakPolarHBondContact O-CD1 3.19Å; L79-I83 WeakPolarHBondContact O-CG1 3.32Å; L79-I83 PolarHBondContact O-N 3.16Å; L79-Y101 HydrophobicContact CB-CE1 4.21Å
80T97.2Very high96.2Very high81 Ų8133.3 Ų33.350%0.49718%0.176SC..Hα-helixtrans-63.7-39.5-179.7-58.60000111.7L76 T77 C82 Y101L76-T80 VanDerWaalsContact O-CB 3.31Å; L76-T80 WeakPolarHBondContact O-CB 3.43Å; L76-T80 PolarHBondContact O-N 3.41Å; L76-T80 PolarHBondContact O-OG1 3.38Å; T77-T80 PolarHBondContact O-N 2.83Å; T77-T80 VanDerWaalsContact O-N 3.16Å; T80-C82 VanDerWaalsContact C-N 3.35Å; T80-Y101 PolarHBondContact OG1-OH 2.92Å
81E97Very high96Very high51 Ų5133.3 Ų33.324%0.23818%0.175CC..Hα-helixtrans-75-23.2178.8-67.7178.1-16900113.7T77 E78 L79 N133 K134T77-E81 WeakPolarHBondContact O-CG 3.44Å; T77-E81 PolarHBondContact O-N 3.18Å; E78-E81 PolarHBondContact O-N 2.85Å; L79-E81 VanDerWaalsContact C-N 3.34Å; L79-E81 PolarHBondContact O-N 3.38Å; E81-N133 VanDerWaalsContact CD-N 3.33Å; E81-N133 PolarHBondContact OE1-N 2.84Å; E81-N133 WeakPolarHBondContact OE2-CA 3.45Å; E81-N133 PolarHBondContact OE2-N 3.26Å; E81-K134 PolarHBondContact OE2-N 3.34Å
82C97.1Very high95.9Very high20 Ų2038.3 Ų38.314%0.13520%0.195CC..Hα-helixtrans-106.2-41.6-167.41670000115C70 E78 L79 T80 D84 N85 K86C70-C82 WeakPolarHBondContact CA-SG 3.38Å; C70-C82 HydrophobicContact CB-CB 3.66Å; C70-C82 WeakPolarHBondContact CB-SG 3.01Å; C70-C82 WeakPolarHBondContact SG-CB 3.49Å; C70-C82 CovalentContact SG-SG 2.04Å; C70-C82 PolarHBondContact SG-SG 2.94Å; E78-C82 WeakPolarHBondContact O-CB 3.49Å; E78-C82 PolarHBondContact O-N 3.27Å; E78-C82 VanDerWaalsContact O-N 3.12Å; L79-C82 PolarHBondContact O-N 2.79Å; T80-C82 VanDerWaalsContact C-N 3.35Å; C82-D84 PolarHBondContact O-N 3.29Å; C82-N85 PolarHBondContact O-N 3.15Å; C82-K86 WeakPolarHBondContact O-CG 3.06Å; C82-K86 PolarHBondContact O-N 2.93Å; C82-K86 WeakPolarHBondContact SG-CG 3.24Å
83I96.7Very high95.5Very high2 Ų238.8 Ų38.81%0.0120%0.197CC..Hα-helixtrans-59.9-44.6-161.7-74.6170.3000112.7V15 V61 L79 N85 K86 L87 Y99 Y101V15-I83 HydrophobicContact CB-CD1 4.28Å; V15-I83 HydrophobicContact CG1-CD1 3.34Å; V15-I83 HydrophobicContact CG2-CD1 3.91Å; V61-I83 HydrophobicContact CG1-CD1 4.22Å; V61-I83 HydrophobicContact CG1-CG1 4.47Å; V61-I83 HydrophobicContact CG2-CG2 4.13Å; L79-I83 HydrophobicContact CB-CD1 3.76Å; L79-I83 HydrophobicContact CB-CG1 4.35Å; L79-I83 HydrophobicContact CD2-CD1 3.77Å; L79-I83 HydrophobicContact CD2-CG1 4.12Å; L79-I83 HydrophobicContact CG-CD1 4.3Å; L79-I83 WeakPolarHBondContact O-CB 3.17Å; L79-I83 WeakPolarHBondContact O-CD1 3.19Å; L79-I83 WeakPolarHBondContact O-CG1 3.32Å; L79-I83 PolarHBondContact O-N 3.16Å; I83-N85 PolarHBondContact O-N 2.98Å; I83-K86 PolarHBondContact O-N 3.17Å; I83-K86 VanDerWaalsContact O-N 3.16Å; I83-L87 HydrophobicContact CG2-CD1 3.59Å; I83-L87 HydrophobicContact CG2-CG 3.86Å; I83-L87 WeakPolarHBondContact O-CG 3.38Å; I83-L87 PolarHBondContact O-N 3.39Å; I83-Y99 HydrophobicContact CG2-CD1 4.18Å; I83-Y99 HydrophobicContact CG2-CE1 3.45Å; I83-Y99 VanDerWaalsContact CG2-CE1 3.45Å; I83-Y101 HydrophobicContact CD1-CE1 4.35Å
84D95.5Very high95.1Very high59 Ų5941.5 Ų41.532%0.31621%0.211SC..Hα-helixtrans-61.3-49.4-174.1-171.471000112.2C82 K86 L87 N88 R97 Y99C82-D84 PolarHBondContact O-N 3.29Å; D84-K86 VanDerWaalsContact C-N 3.26Å; D84-K86 PolarHBondContact O-N 2.96Å; D84-L87 PolarHBondContact O-N 3.02Å; D84-N88 VanDerWaalsContact O-CG 3.27Å; D84-N88 PolarHBondContact O-N 2.65Å; D84-N88 PolarHBondContact O-ND2 3.17Å; D84-N88 PolarHBondContact OD2-ND2 3.45Å; D84-R97 IonicContact OD1-NH1 3.14Å; D84-R97 PolarHBondContact OD1-NH1 2.67Å; D84-Y99 WeakPolarHBondContact CA-OH 3.47Å; D84-Y99 HydrophobicContact CB-CE2 4.39Å; D84-Y99 WeakPolarHBondContact CB-OH 3.39Å; D84-Y99 PolarHBondContact OD1-OH 3.12Å; D84-Y99 VanDerWaalsContact OD1-OH 3.05Å
85N95.2Very high94.6Very high97 Ų9741.6 Ų41.652%0.51921%0.211SC..Hα-helixtrans-59.5-37.2175.9-71.3-41.2000112.6C82 I83 K89C82-N85 PolarHBondContact O-N 3.15Å; I83-N85 PolarHBondContact O-N 2.98Å; N85-K89 WeakPolarHBondContact O-CG 3.25Å; N85-K89 PolarHBondContact O-N 3.24Å
86K95.7Very high94.2Very high81 Ų8148.8 Ų48.835%0.35224%0.242SC..Hα-helixtrans-72.4-41.6177.7-70.8-67.8-173.8169.10112.1V69 C82 I83 D84 K89 V90V69-K86 HydrophobicContact CG2-CB 3.64Å; V69-K86 HydrophobicContact CG2-CD 4.17Å; V69-K86 HydrophobicContact CG2-CG 3.95Å; V69-K86 WeakPolarHBondContact O-CE 3.08Å; C82-K86 WeakPolarHBondContact O-CG 3.06Å; C82-K86 PolarHBondContact O-N 2.93Å; C82-K86 WeakPolarHBondContact SG-CG 3.24Å; I83-K86 PolarHBondContact O-N 3.17Å; I83-K86 VanDerWaalsContact O-N 3.16Å; D84-K86 VanDerWaalsContact C-N 3.26Å; D84-K86 PolarHBondContact O-N 2.96Å; K86-K89 WeakPolarHBondContact O-CB 3.18Å; K86-K89 PolarHBondContact O-N 3.24Å; K86-V90 WeakPolarHBondContact O-CG2 3.12Å; K86-V90 PolarHBondContact O-N 3.27Å
87L95.4Very high94Very high1 Ų149.4 Ų49.41%0.00524%0.244CC..Hα-helixtrans-68.8-36.3178.6-69.2-174.1000112.1V13 T58 V61 T66 I83 D84 K89 V90 D91 R97 Y99V13-L87 HydrophobicContact CG1-CD1 4.1Å; V13-L87 HydrophobicContact CG2-CD1 4.47Å; T58-L87 HydrophobicContact CG2-CD2 3.9Å; V61-L87 HydrophobicContact CG2-CD1 3.96Å; V61-L87 HydrophobicContact CG2-CD2 4.09Å; V61-L87 HydrophobicContact CG2-CG 4.41Å; T66-L87 HydrophobicContact CG2-CD2 4.35Å; I83-L87 HydrophobicContact CG2-CD1 3.59Å; I83-L87 HydrophobicContact CG2-CG 3.86Å; I83-L87 WeakPolarHBondContact O-CG 3.38Å; I83-L87 PolarHBondContact O-N 3.39Å; D84-L87 PolarHBondContact O-N 3.02Å; L87-K89 PolarHBondContact O-N 2.85Å; L87-V90 PolarHBondContact O-N 3.01Å; L87-V90 VanDerWaalsContact O-N 3.13Å; L87-D91 WeakPolarHBondContact O-CB 3.2Å; L87-D91 PolarHBondContact O-N 3.21Å; L87-R97 PolarHBondContact O-NH2 3.4Å; L87-Y99 HydrophobicContact CD1-CE1 3.91Å
88N94.1Very high93.9Very high15 Ų1555.7 Ų55.78%0.0827%0.271CS..Hα-helixtrans-56.8-36.3171.5-69.1-29.4000112D84 H92 H93 I94 R97D84-N88 VanDerWaalsContact O-CG 3.27Å; D84-N88 PolarHBondContact O-N 2.65Å; D84-N88 PolarHBondContact O-ND2 3.17Å; D84-N88 PolarHBondContact OD2-ND2 3.45Å; N88-H92 WeakPolarHBondContact O-CA 3.31Å; N88-H92 PolarHBondContact O-N 2.96Å; N88-H93 WeakPolarHBondContact CA-O 3.49Å; N88-H93 PolarHBondContact O-N 2.93Å; N88-H93 PolarHBondContact OD1-O 3.32Å; N88-I94 HydrophobicContact CB-CG1 4.48Å; N88-R97 PolarHBondContact OD1-NH1 3.43Å
89K93.5Very high93.8Very high131 Ų13158 Ų5857%0.5728%0.28SS*.Hα-helixtrans-74.4-38.6175.4-67178.3-178.1-171.80113.1N85 K86 L87N85-K89 WeakPolarHBondContact O-CG 3.25Å; N85-K89 PolarHBondContact O-N 3.24Å; K86-K89 WeakPolarHBondContact O-CB 3.18Å; K86-K89 PolarHBondContact O-N 3.24Å; L87-K89 PolarHBondContact O-N 2.85Å
90V91.7Very high93.7Very high60 Ų6059.4 Ų59.436%0.36429%0.289SS..Hα-helixtrans-74.4-36.1-179.4170.30000112.3K86 L87K86-V90 WeakPolarHBondContact O-CG2 3.12Å; K86-V90 PolarHBondContact O-N 3.27Å; L87-V90 PolarHBondContact O-N 3.01Å; L87-V90 VanDerWaalsContact O-N 3.13Å
91D92.2Very high93.8Very high9 Ų956.5 Ų56.55%0.04827%0.269CS..Hα-helixtrans-88.5-15.5179.7-64.7-26.5000112K52 T58 L87 H93 R97K52-D91 IonicContact NZ-OD1 3.4Å; T58-D91 WeakPolarHBondContact CB-OD1 3.36Å; T58-D91 PolarHBondContact N-OD1 3.23Å; T58-D91 VanDerWaalsContact N-OD1 3.1Å; T58-D91 PolarHBondContact N-OD2 2.9Å; T58-D91 PolarHBondContact OG1-OD1 3.39Å; L87-D91 WeakPolarHBondContact O-CB 3.2Å; L87-D91 PolarHBondContact O-N 3.21Å; D91-H93 VanDerWaalsContact C-N 3.32Å; D91-H93 PolarHBondContact O-CE1 3.1Å; D91-H93 PolarHBondContact O-ND1 2.96Å; D91-R97 IonicContact OD2-CZ 3.15Å; D91-R97 IonicContact OD2-NE 2.85Å; D91-R97 IonicContact OD2-NH2 2.73Å; D91-R97 PolarHBondContact OD2-NH2 3.25Å
92H90.7Very high93.9Very high117 Ų11754 Ų5454%0.54226%0.258SS..SBendtrans68.916.1-179.1-57.7-78000116.3Y3 N88Y3-H92 WeakPolarHBondContact CD1-O 3.43Å; N88-H92 WeakPolarHBondContact O-CA 3.31Å; N88-H92 PolarHBondContact O-N 2.96Å
93H87.8Confident93.9Very high39 Ų3953.1 Ų53.118%0.18125%0.251CS..SBendtrans-150.7160.5174.854.2-92.8000111.5N57 N88 D91 I95N57-H93 PolarHBondContact OD1-CE1 2.96Å; N57-H93 PolarHBondContact OD1-NE2 2.95Å; N88-H93 WeakPolarHBondContact CA-O 3.49Å; N88-H93 PolarHBondContact O-N 2.93Å; N88-H93 PolarHBondContact OD1-O 3.32Å; D91-H93 VanDerWaalsContact C-N 3.32Å; D91-H93 PolarHBondContact O-CE1 3.1Å; D91-H93 PolarHBondContact O-ND1 2.96Å; H93-I95 VanDerWaalsContact CD2-CG2 3.44Å; H93-I95 WeakPolarHBondContact CD2-CG2 3.27Å
94I88Confident94Very high74 Ų7453 Ų5338%0.37925%0.251SS..EExtended strand (participates in β ladder)trans-96.9114.3179.2-61.6168.5000107.8Y3 D6 N88Y3-I94 HydrophobicContact CD1-CG1 4.37Å; Y3-I94 HydrophobicContact CD2-CD1 4.09Å; Y3-I94 HydrophobicContact CD2-CG1 4.46Å; Y3-I94 HydrophobicContact CG-CD1 3.96Å; Y3-I94 HydrophobicContact CG-CG1 3.96Å; D6-I94 PolarHBondContact N-O 3.5Å; N88-I94 HydrophobicContact CB-CG1 4.48Å
95I87.6Confident94.2Very high6 Ų650.3 Ų50.33%0.03124%0.236CC..EExtended strand (participates in β ladder)trans-131.7151.5176.547159.6000110.6D6 V11 N57 H93 R97D6-I95 HydrophobicContact CB-CG2 3.85Å; V11-I95 HydrophobicContact CB-CD1 3.95Å; V11-I95 HydrophobicContact CG2-CD1 3.51Å; N57-I95 HydrophobicContact CB-CD1 4.28Å; N57-I95 WeakPolarHBondContact OD1-CD1 3.44Å; H93-I95 VanDerWaalsContact CD2-CG2 3.44Å; H93-I95 WeakPolarHBondContact CD2-CG2 3.27Å; I95-R97 HydrophobicContact CD1-CG 4.08Å; I95-R97 HydrophobicContact CG1-CG 4.25Å; I95-R97 VanDerWaalsContact CG1-CZ 3.42Å; I95-R97 PolarHBondContact O-NH1 2.02Å
96K90.8Very high94.2Very high152 Ų15246.6 Ų46.666%0.66122%0.215SC*.EExtended strand (participates in β ladder)trans-75.2125.5171.3-169.9173.3178.2177.90109.6N10 V11N10-K96 WeakPolarHBondContact OD1-CD 3.09Å; N10-K96 WeakPolarHBondContact OD1-CG 3.36Å; V11-K96 PolarHBondContact N-O 3.09Å
97R94.1Very high94.3Very high21 Ų2144.2 Ų44.28%0.07921%0.206CC..EExtended strand (participates in β ladder)trans-115.4145.5179.7-66.3176.8-175.784.6-0.3111.2V11 V13 D84 L87 N88 D91 I95 Y99V11-R97 HydrophobicContact CB-CG 4.42Å; V11-R97 CarbonylContact O-C 3.49Å; V11-R97 VanDerWaalsContact O-CA 3.3Å; V11-R97 WeakPolarHBondContact O-CA 3.46Å; V13-R97 HydrophobicContact CG2-CB 4.25Å; V13-R97 HydrophobicContact CG2-CG 4.16Å; D84-R97 IonicContact OD1-NH1 3.14Å; D84-R97 PolarHBondContact OD1-NH1 2.67Å; L87-R97 PolarHBondContact O-NH2 3.4Å; N88-R97 PolarHBondContact OD1-NH1 3.43Å; D91-R97 IonicContact OD2-CZ 3.15Å; D91-R97 IonicContact OD2-NE 2.85Å; D91-R97 IonicContact OD2-NH2 2.73Å; D91-R97 PolarHBondContact OD2-NH2 3.25Å; I95-R97 HydrophobicContact CD1-CG 4.08Å; I95-R97 HydrophobicContact CG1-CG 4.25Å; I95-R97 VanDerWaalsContact CG1-CZ 3.42Å; I95-R97 PolarHBondContact O-NH1 2.02Å; R97-Y99 HydrophobicContact CB-CE1 4.03Å; R97-Y99 HydrophobicContact CB-CE2 4.03Å; R97-Y99 VanDerWaalsContact CD-OH 3.31Å; R97-Y99 WeakPolarHBondContact CD-OH 3.33Å
98K95Very high94.4Very high136 Ų13644.3 Ų44.359%0.59121%0.207SC*.EExtended strand (participates in β ladder)trans-105114.9167-178.6179.5178.2179.30108.5V11 S12 V13V11-K98 PolarHBondContact O-N 3.14Å; S12-K98 WeakPolarHBondContact CA-O 3.41Å; V13-K98 PolarHBondContact N-O 2.98Å
99Y96.4Very high94.5Very high52 Ų5244 Ų4420%0.20421%0.205CC..EExtended strand (participates in β ladder)trans-91.3129.8179.5-60.3-69.6000111.6V13 V15 I83 D84 L87 R97V13-Y99 HydrophobicContact CB-CD1 3.78Å; V13-Y99 HydrophobicContact CB-CE1 3.94Å; V13-Y99 HydrophobicContact CG1-CD1 4.09Å; V13-Y99 HydrophobicContact CG1-CE1 4.12Å; V13-Y99 HydrophobicContact CG2-CE1 4.27Å; V13-Y99 WeakPolarHBondContact O-CA 3.43Å; V15-Y99 HydrophobicContact CG2-CD1 3.69Å; V15-Y99 HydrophobicContact CG2-CG 4.36Å; I83-Y99 HydrophobicContact CG2-CD1 4.18Å; I83-Y99 HydrophobicContact CG2-CE1 3.45Å; I83-Y99 VanDerWaalsContact CG2-CE1 3.45Å; D84-Y99 WeakPolarHBondContact CA-OH 3.47Å; D84-Y99 HydrophobicContact CB-CE2 4.39Å; D84-Y99 WeakPolarHBondContact CB-OH 3.39Å; D84-Y99 PolarHBondContact OD1-OH 3.12Å; D84-Y99 VanDerWaalsContact OD1-OH 3.05Å; L87-Y99 HydrophobicContact CD1-CE1 3.91Å; R97-Y99 HydrophobicContact CB-CE1 4.03Å; R97-Y99 HydrophobicContact CB-CE2 4.03Å; R97-Y99 VanDerWaalsContact CD-OH 3.31Å; R97-Y99 WeakPolarHBondContact CD-OH 3.33Å
100T97.4Very high94.6Very high43 Ų4338.4 Ų38.426%0.26418%0.181SC..EExtended strand (participates in β ladder)trans-112.7105.5169.9-58.80000108.4V13 L14 V15 L246V13-T100 PolarHBondContact O-N 3.47Å; L14-T100 HydrophobicContact CD2-CG2 4.35Å; V15-T100 PolarHBondContact N-O 3.17Å; T100-L246 HydrophobicContact CG2-CD2 3.74Å
101Y98.4Very high94.9Very high20 Ų2035.6 Ų35.68%0.07816%0.164CC..EExtended strand (participates in β ladder)trans-80.3136.7178-64.1-90.3000110.8V15 I17 L76 L79 T80 I83 I225V15-Y101 HydrophobicContact CB-CD1 3.74Å; V15-Y101 HydrophobicContact CB-CE1 3.95Å; V15-Y101 HydrophobicContact CB-CG 4.38Å; V15-Y101 HydrophobicContact CG1-CD1 3.66Å; V15-Y101 HydrophobicContact CG1-CE1 3.66Å; V15-Y101 HydrophobicContact CG2-CD1 4.49Å; V15-Y101 HydrophobicContact CG2-CE1 4.3Å; V15-Y101 WeakPolarHBondContact O-CA 2.75Å; I17-Y101 HydrophobicContact CD1-CD1 4.17Å; I17-Y101 HydrophobicContact CG1-CD1 4.14Å; L76-Y101 HydrophobicContact CD1-CD1 3.76Å; L76-Y101 HydrophobicContact CD1-CD2 4.36Å; L76-Y101 HydrophobicContact CD1-CE1 4.02Å; L76-Y101 HydrophobicContact CD1-CG 3.94Å; L79-Y101 HydrophobicContact CB-CE1 4.21Å; T80-Y101 PolarHBondContact OG1-OH 2.92Å; I83-Y101 HydrophobicContact CD1-CE1 4.35Å; Y101-I225 HydrophobicContact CD2-CG2 4.27Å
102F98.5Very high95.2Very high0 Ų035.2 Ų35.20%016%0.162CC..EExtended strand (participates in β ladder)trans-145.7157174.371.2-73.1000111.2L14 V15 F16 I17 L27 L31 L60 C228 L242 L246L14-F102 HydrophobicContact CB-CD1 4.45Å; L14-F102 HydrophobicContact CB-CE1 3.85Å; V15-F102 VanDerWaalsContact C-CE1 3.5Å; V15-F102 VanDerWaalsContact O-CD1 3.23Å; V15-F102 WeakPolarHBondContact O-CD1 3.32Å; V15-F102 PolarHBondContact O-N 3.13Å; F16-F102 WeakPolarHBondContact CA-O 3.36Å; F16-F102 HydrophobicContact CB-CE1 3.84Å; F16-F102 HydrophobicContact CB-CE2 4.1Å; F16-F102 HydrophobicContact CB-CZ 3.58Å; F16-F102 AromaticContact CD2-CD2 3.84Å; F16-F102 HydrophobicContact CD2-CD2 3.84Å; F16-F102 AromaticContact CD2-CE2 3.57Å; F16-F102 HydrophobicContact CD2-CE2 3.57Å; F16-F102 HydrophobicContact CD2-CG 4.47Å; F16-F102 AromaticContact CD2-CZ 3.98Å; F16-F102 HydrophobicContact CD2-CZ 3.98Å; F16-F102 WeakPolarHBondContact CD2-O 3.38Å; F16-F102 HydrophobicContact CE2-CE2 4.44Å; F16-F102 HydrophobicContact CG-CE2 4.16Å; F16-F102 HydrophobicContact CG-CZ 4.13Å; I17-F102 PolarHBondContact N-O 3.07Å; L27-F102 HydrophobicContact CD2-CD2 4.42Å; L27-F102 HydrophobicContact CD2-CE2 4.03Å; L31-F102 HydrophobicContact CD2-CE2 4.28Å; L31-F102 HydrophobicContact CD2-CZ 3.67Å; L60-F102 HydrophobicContact CD1-CE1 4.47Å; L60-F102 HydrophobicContact CD1-CZ 4.43Å; F102-C228 WeakPolarHBondContact CA-O 3.44Å; F102-C228 HydrophobicContact CB-CB 3.95Å; F102-C228 WeakPolarHBondContact CB-O 3.12Å; F102-L242 HydrophobicContact CD2-CD2 4.13Å; F102-L246 HydrophobicContact CB-CD1 4.41Å; F102-L246 HydrophobicContact CB-CD2 4.16Å; F102-L246 HydrophobicContact CD1-CD1 4.27Å; F102-L246 HydrophobicContact CD1-CD2 4.29Å; F102-L246 HydrophobicContact CD2-CD1 3.83Å; F102-L246 HydrophobicContact CE2-CD1 4.1Å; F102-L246 HydrophobicContact CG-CD1 3.92Å; F102-L246 HydrophobicContact CG-CD2 4.24Å; F102-L246 HydrophobicContact CZ-CD1 4.46Å
103T98.6Very high95.4Very high0 Ų029.6 Ų29.60%014%0.136CC..EExtended strand (participates in β ladder)trans-151.6176-177.9-164.40000112.2I17 I19 L105 L180 I226 C228 Y229 G230I17-T103 PolarHBondContact O-OG1 3.49Å; I19-T103 HydrophobicContact CD1-CG2 4.41Å; T103-L105 HydrophobicContact CG2-CD2 4.03Å; T103-L105 HydrophobicContact CG2-CG 4.44Å; T103-L180 HydrophobicContact CG2-CD2 4.38Å; T103-I226 HydrophobicContact CG2-CG2 4.23Å; T103-C228 PolarHBondContact N-O 2.78Å; T103-Y229 WeakPolarHBondContact O-CA 3.31Å; T103-Y229 WeakPolarHBondContact O-CB 3.42Å; T103-G230 PolarHBondContact O-N 3.11Å
104L98.4Very high95.7Very high1 Ų128.7 Ų28.71%0.00513%0.134CC..EExtended strand (participates in β ladder)trans-116.5139.3162.9-69.1-178.9000109T22 A23 L27 G230 L242T22-L104 WeakPolarHBondContact CB-O 3.48Å; T22-L104 WeakPolarHBondContact CG2-O 3.01Å; T22-L104 WeakPolarHBondContact O-CB 3.43Å; T22-L104 VanDerWaalsContact O-CD1 3.29Å; T22-L104 WeakPolarHBondContact O-CD1 3.49Å; T22-L104 PolarHBondContact OG1-O 3.18Å; A23-L104 HydrophobicContact CB-CD1 4.27Å; L27-L104 HydrophobicContact CB-CD1 3.75Å; L27-L104 HydrophobicContact CD2-CD1 3.74Å; L27-L104 HydrophobicContact CD2-CD2 4.13Å; L27-L104 HydrophobicContact CD2-CG 3.59Å; L27-L104 HydrophobicContact CG-CD1 4.37Å; L104-G230 WeakPolarHBondContact CA-O 3.47Å; L104-G230 VanDerWaalsContact CD2-CA 3.48Å; L104-L242 HydrophobicContact CD2-CD1 4.19Å
105L98.5Very high96Very high1 Ų125.2 Ų25.21%0.00512%0.116CC..EExtended strand (participates in β ladder)trans-106.5165.9169.3-53178.7000110I19 T103 Q176 L180 L222 Y229 G230 L231 S232 Y298 A301I19-L105 HydrophobicContact CD1-CD2 3.98Å; T103-L105 HydrophobicContact CG2-CD2 4.03Å; T103-L105 HydrophobicContact CG2-CG 4.44Å; L105-Q176 VanDerWaalsContact CA-OE1 3.24Å; L105-L180 HydrophobicContact CD2-CD1 3.81Å; L105-L222 HydrophobicContact CD1-CD1 4.23Å; L105-L222 HydrophobicContact CD1-CD2 4.28Å; L105-Y229 HydrophobicContact CD1-CD2 3.93Å; L105-Y229 HydrophobicContact CD1-CE2 4.07Å; L105-Y229 HydrophobicContact CG-CD2 4.28Å; L105-G230 PolarHBondContact N-O 3.2Å; L105-L231 HydrophobicContact CB-CD2 3.9Å; L105-L231 HydrophobicContact CD1-CD2 4.44Å; L105-S232 WeakPolarHBondContact O-CB 3.12Å; L105-S232 PolarHBondContact O-N 3.16Å; L105-S232 PolarHBondContact O-OG 3.31Å; L105-Y298 HydrophobicContact CB-CD2 4.29Å; L105-Y298 HydrophobicContact CB-CE2 4.34Å; L105-A301 HydrophobicContact CD1-CB 3.49Å; L105-A301 VanDerWaalsContact CD1-CB 3.49Å
106R96.3Very high96.3Very high19 Ų1926.1 Ų26.17%0.07212%0.119CC..  trans-148.2154.4-179.1-171.4173.9-179.6-166.1-4.5110.2K21 T22 P108 R111 S114 Q176 E233 T270 Y298K21-R106 WeakPolarHBondContact O-CD 3.2Å; K21-R106 PolarHBondContact O-NH1 3.21Å; T22-R106 HydrophobicContact CG2-CB 3.83Å; R106-P108 WeakPolarHBondContact O-CD 3.34Å; R106-P108 VanDerWaalsContact O-N 3.14Å; R106-R111 HydrophobicContact CB-CB 4.26Å; R106-R111 HydrophobicContact CG-CB 4.3Å; R106-S114 VanDerWaalsContact NH1-CB 3.31Å; R106-S114 PolarHBondContact NH1-OG 3.48Å; R106-Q176 PolarHBondContact O-NE2 3.21Å; R106-Q176 PolarHBondContact O-OE1 3.16Å; R106-E233 WeakPolarHBondContact CA-OE2 3.3Å; R106-E233 WeakPolarHBondContact CG-OE1 3.22Å; R106-T270 PolarHBondContact NH2-OG1 2.95Å; R106-Y298 VanDerWaalsContact O-CD2 3.31Å; R106-Y298 WeakPolarHBondContact O-CD2 3.46Å
107D96.2Very high96.3Very high32 Ų3219.1 Ų19.117%0.1719%0.089CC..  trans-44.3120.3166.4172.7102.5000109.5I109 N110 R111 E233 R276D107-I109 VanDerWaalsContact C-N 3.27Å; D107-I109 PolarHBondContact O-N 3.06Å; D107-I109 WeakPolarHBondContact OD2-CB 3.44Å; D107-I109 PolarHBondContact OD2-N 2.89Å; D107-N110 HydrophobicContact CB-CB 4.14Å; D107-N110 PolarHBondContact O-N 3.4Å; D107-N110 WeakPolarHBondContact OD2-CB 3.26Å; D107-N110 PolarHBondContact OD2-N 3.48Å; D107-N110 PolarHBondContact OD2-ND2 2.91Å; D107-R111 VanDerWaalsContact O-CB 3.29Å; D107-R111 WeakPolarHBondContact O-CB 3.42Å; D107-R111 PolarHBondContact O-N 3.33Å; D107-E233 HydrophobicContact CB-CG 4.38Å; D107-E233 VanDerWaalsContact CB-OE1 3.22Å; D107-E233 WeakPolarHBondContact CB-OE1 3.17Å; D107-E233 VanDerWaalsContact N-CD 3.29Å; D107-E233 PolarHBondContact N-OE1 3.47Å; D107-E233 PolarHBondContact N-OE2 2.83Å; D107-R276 IonicContact OD1-NH1 3.05Å; D107-R276 PolarHBondContact OD1-NH1 2.97Å; D107-R276 IonicContact OD2-NH1 3.92Å; D107-R276 PolarHBondContact OD2-NH1 3.48Å
108P98.1Very high96Very high3 Ų320.8 Ų20.82%0.01910%0.097CC..Hα-helixtrans-58.5-35.6-172.4-31.938.8000114.4R106 F112 N291 D294 I295 Y298R106-P108 WeakPolarHBondContact O-CD 3.34Å; R106-P108 VanDerWaalsContact O-N 3.14Å; P108-F112 WeakPolarHBondContact O-CB 3.47Å; P108-F112 PolarHBondContact O-N 3.46Å; P108-N291 HydrophobicContact CB-CB 4.28Å; P108-D294 HydrophobicContact CB-CB 3.71Å; P108-D294 VanDerWaalsContact CG-C 3.44Å; P108-D294 HydrophobicContact CG-CB 3.81Å; P108-D294 VanDerWaalsContact CG-O 3.29Å; P108-D294 WeakPolarHBondContact CG-O 3.37Å; P108-I295 HydrophobicContact CB-CG1 4.11Å; P108-I295 HydrophobicContact CG-CG1 4.18Å; P108-Y298 HydrophobicContact CG-CG 4.23Å
109I97.3Very high95.8Very high7 Ų714.7 Ų14.74%0.0367%0.071CC..Hα-helixtrans-72.5-50.4-177.2-49.6-54.7000109.4D107 R111 F112 I113 R276 L284 I287 Q288 I295D107-I109 VanDerWaalsContact C-N 3.27Å; D107-I109 PolarHBondContact O-N 3.06Å; D107-I109 WeakPolarHBondContact OD2-CB 3.44Å; D107-I109 PolarHBondContact OD2-N 2.89Å; I109-R111 VanDerWaalsContact C-N 3.26Å; I109-R111 PolarHBondContact O-N 3.45Å; I109-F112 PolarHBondContact O-N 2.99Å; I109-I113 HydrophobicContact CG2-CD1 3.95Å; I109-I113 WeakPolarHBondContact O-CG1 3.3Å; I109-I113 PolarHBondContact O-N 3.21Å; I109-R276 HydrophobicContact CG2-CG 4.49Å; I109-L284 HydrophobicContact CG2-CD2 4.43Å; I109-I287 HydrophobicContact CB-CG2 4.49Å; I109-I287 HydrophobicContact CD1-CG2 3.97Å; I109-I287 HydrophobicContact CG2-CG2 3.93Å; I109-Q288 HydrophobicContact CD1-CB 4.2Å; I109-Q288 HydrophobicContact CD1-CG 3.58Å; I109-Q288 HydrophobicContact CG1-CG 4.33Å; I109-I295 HydrophobicContact CD1-CD1 4.11Å
110N95.7Very high95.4Very high15 Ų1513.3 Ų13.38%0.087%0.066CC..Hα-helixtrans-62.3-36.3176.3-67.6-23.7000111.3D107 S114 A272 R276D107-N110 HydrophobicContact CB-CB 4.14Å; D107-N110 PolarHBondContact O-N 3.4Å; D107-N110 WeakPolarHBondContact OD2-CB 3.26Å; D107-N110 PolarHBondContact OD2-N 3.48Å; D107-N110 PolarHBondContact OD2-ND2 2.91Å; N110-S114 WeakPolarHBondContact O-CB 3.47Å; N110-S114 PolarHBondContact O-N 2.83Å; N110-A272 HydrophobicContact CB-CB 4.13Å; N110-A272 WeakPolarHBondContact O-CB 3.37Å; N110-R276 WeakPolarHBondContact OD1-CD 3.39Å
111R97.3Very high94.8Very high0 Ų015.9 Ų15.90%07%0.071CC..Hα-helixtrans-63.7-47.1174.3-173.1-152.161.572.69.4111Q20 K21 T22 R106 D107 I109 S114 E115 A172 N291 D294Q20-R111 PolarHBondContact O-NH1 3.33Å; K21-R111 HydrophobicContact CB-CG 4.4Å; T22-R111 HydrophobicContact CG2-CG 4.41Å; R106-R111 HydrophobicContact CB-CB 4.26Å; R106-R111 HydrophobicContact CG-CB 4.3Å; D107-R111 VanDerWaalsContact O-CB 3.29Å; D107-R111 WeakPolarHBondContact O-CB 3.42Å; D107-R111 PolarHBondContact O-N 3.33Å; I109-R111 VanDerWaalsContact C-N 3.26Å; I109-R111 PolarHBondContact O-N 3.45Å; R111-S114 WeakPolarHBondContact O-CB 3.12Å; R111-S114 PolarHBondContact O-N 3.15Å; R111-E115 PolarHBondContact O-N 3.35Å; R111-A172 PolarHBondContact NH1-O 3.31Å; R111-A172 PolarHBondContact NH2-O 2.81Å; R111-N291 PolarHBondContact NH2-OD1 2.89Å; R111-D294 IonicContact NE-OD2 3.76Å; R111-D294 IonicContact NH2-OD2 3.14Å
112F97.9Very high94.2Very high1 Ų116.9 Ų16.90%0.0049%0.087CC..Hα-helixtrans-66-45.2-179.6-168.7-91000112P108 I109 S114 E115 W116 M161 V164 I165 A172 I287 V290 N291P108-F112 WeakPolarHBondContact O-CB 3.47Å; P108-F112 PolarHBondContact O-N 3.46Å; I109-F112 PolarHBondContact O-N 2.99Å; F112-S114 VanDerWaalsContact C-N 3.29Å; F112-S114 PolarHBondContact O-N 2.93Å; F112-E115 WeakPolarHBondContact O-CA 3.41Å; F112-E115 WeakPolarHBondContact O-CB 3.49Å; F112-E115 PolarHBondContact O-N 3.31Å; F112-W116 PolarHBondContact O-N 3.27Å; F112-M161 HydrophobicContact CD1-SD 4.26Å; F112-M161 HydrophobicContact CE1-SD 3.94Å; F112-V164 HydrophobicContact CE1-CG1 4.25Å; F112-V164 HydrophobicContact CZ-CG1 3.91Å; F112-I165 HydrophobicContact CE1-CG1 3.85Å; F112-I165 HydrophobicContact CZ-CG1 4.02Å; F112-A172 HydrophobicContact CD2-CB 3.98Å; F112-A172 HydrophobicContact CE2-CB 3.79Å; F112-I287 HydrophobicContact CB-CG2 4.01Å; F112-I287 HydrophobicContact CD1-CB 4.49Å; F112-I287 HydrophobicContact CD1-CG1 4.14Å; F112-I287 HydrophobicContact CD1-CG2 3.73Å; F112-I287 HydrophobicContact CE1-CG1 4.31Å; F112-I287 HydrophobicContact CG-CG2 4.08Å; F112-V290 HydrophobicContact CD2-CG1 4.5Å; F112-V290 HydrophobicContact CE1-CG1 4.38Å; F112-V290 HydrophobicContact CE2-CG1 3.92Å; F112-V290 HydrophobicContact CZ-CG1 3.85Å; F112-N291 WeakPolarHBondContact CB-ND2 3.38Å; F112-N291 WeakPolarHBondContact CD2-ND2 3.5Å; F112-N291 WeakPolarHBondContact CD2-OD1 3.38Å; F112-N291 WeakPolarHBondContact CG-ND2 3.31Å
113I95.6Very high93.7Very high0 Ų018 Ų180%010%0.096CC..Hα-helixtrans-58-44.4173.9-67.5167.8000110.5I109 E115 W116 Q117 M161 A272 I275 R276 L279 I287I109-I113 HydrophobicContact CG2-CD1 3.95Å; I109-I113 WeakPolarHBondContact O-CG1 3.3Å; I109-I113 PolarHBondContact O-N 3.21Å; I113-E115 PolarHBondContact O-N 3.36Å; I113-W116 PolarHBondContact O-N 2.93Å; I113-Q117 WeakPolarHBondContact O-CG 3.43Å; I113-Q117 PolarHBondContact O-N 2.6Å; I113-M161 HydrophobicContact CG1-CE 4.29Å; I113-A272 HydrophobicContact CB-CB 4.13Å; I113-A272 HydrophobicContact CG2-CB 3.94Å; I113-I275 HydrophobicContact CG2-CB 3.89Å; I113-I275 HydrophobicContact CG2-CG2 3.66Å; I113-R276 HydrophobicContact CD1-CB 3.62Å; I113-R276 HydrophobicContact CD1-CG 4.07Å; I113-L279 HydrophobicContact CD1-CD1 3.75Å; I113-L279 HydrophobicContact CG1-CD1 4.13Å; I113-I287 HydrophobicContact CD1-CD1 4.4Å; I113-I287 HydrophobicContact CG1-CD1 3.97Å
114S93.8Very high93.1Very high19 Ų1922.5 Ų22.513%0.13312%0.124CC..Hα-helixtrans-63.7-27.3177.3-171.80000113.3R106 N110 R111 F112 H118R106-S114 VanDerWaalsContact NH1-CB 3.31Å; R106-S114 PolarHBondContact NH1-OG 3.48Å; N110-S114 WeakPolarHBondContact O-CB 3.47Å; N110-S114 PolarHBondContact O-N 2.83Å; R111-S114 WeakPolarHBondContact O-CB 3.12Å; R111-S114 PolarHBondContact O-N 3.15Å; F112-S114 VanDerWaalsContact C-N 3.29Å; F112-S114 PolarHBondContact O-N 2.93Å; S114-H118 PolarHBondContact O-N 3.4Å
115E94.8Very high92.7Very high1 Ų123.9 Ų23.91%0.00513%0.129CC..Hα-helixtrans-76.8-44.3174-174.670174.100111.2Q20 R111 F112 I113 Q117 H118 I119 W125 A172 R175Q20-E115 WeakPolarHBondContact CG-OE2 3.33Å; R111-E115 PolarHBondContact O-N 3.35Å; F112-E115 WeakPolarHBondContact O-CA 3.41Å; F112-E115 WeakPolarHBondContact O-CB 3.49Å; F112-E115 PolarHBondContact O-N 3.31Å; I113-E115 PolarHBondContact O-N 3.36Å; E115-Q117 VanDerWaalsContact C-N 3.31Å; E115-Q117 PolarHBondContact O-N 2.84Å; E115-H118 CarbonylContact O-C 3.59Å; E115-H118 WeakPolarHBondContact O-CA 3.24Å; E115-H118 VanDerWaalsContact O-CB 3.22Å; E115-H118 WeakPolarHBondContact O-CB 3.47Å; E115-H118 PolarHBondContact O-N 3.39Å; E115-I119 HydrophobicContact CG-CD1 4.15Å; E115-I119 WeakPolarHBondContact O-CG1 3.33Å; E115-I119 PolarHBondContact O-N 3.36Å; E115-W125 PolarHBondContact OE1-NE1 3.35Å; E115-A172 HydrophobicContact CB-CB 4.42Å; E115-A172 HydrophobicContact CG-CB 3.76Å; E115-R175 VanDerWaalsContact CD-NH2 3.29Å; E115-R175 IonicContact OE1-CZ 3.98Å; E115-R175 IonicContact OE1-NH1 2.72Å; E115-R175 PolarHBondContact OE1-NH1 3.24Å; E115-R175 IonicContact OE1-NH2 3.75Å; E115-R175 PolarHBondContact OE1-NH2 2.93Å; E115-R175 IonicContact OE2-CZ 3.1Å; E115-R175 IonicContact OE2-NH1 3.7Å; E115-R175 PolarHBondContact OE2-NH1 3.47Å; E115-R175 IonicContact OE2-NH2 3.6Å
116W93.4Very high92Very high26 Ų2630.5 Ų30.510%0.09816%0.159CC..Hα-helixtrans-55.1-46.2173.8167.871.7000111.7F112 I113 H118 I119 R120 V159 M161 I275F112-W116 PolarHBondContact O-N 3.27Å; I113-W116 PolarHBondContact O-N 2.93Å; W116-H118 PolarHBondContact O-N 3.3Å; W116-I119 PolarHBondContact O-N 3.46Å; W116-R120 VanDerWaalsContact CE2-CD 3.4Å; W116-R120 PolarHBondContact O-N 3.37Å; W116-V159 PolarHBondContact NE1-O 3.43Å; W116-M161 HydrophobicContact CB-CE 3.9Å; W116-M161 HydrophobicContact CB-SD 3.95Å; W116-M161 HydrophobicContact CD2-CE 3.36Å; W116-M161 HydrophobicContact CD2-SD 4.14Å; W116-M161 HydrophobicContact CE3-CE 3.42Å; W116-M161 VanDerWaalsContact CE3-CE 3.42Å; W116-M161 HydrophobicContact CG-CE 3.59Å; W116-M161 HydrophobicContact CG-SD 3.77Å; W116-M161 HydrophobicContact CZ3-CE 4.07Å; W116-I275 HydrophobicContact CZ3-CD1 4.02Å; W116-I275 HydrophobicContact CZ3-CG2 4.12Å
117Q90.1Very high91.5Very high4 Ų433.2 Ų33.22%0.01918%0.182CC..Hα-helixtrans-61.8-23.7172.9-65.5-179.6-59.700113.7I113 E115 R121 I275 D404I113-Q117 WeakPolarHBondContact O-CG 3.43Å; I113-Q117 PolarHBondContact O-N 2.6Å; E115-Q117 VanDerWaalsContact C-N 3.31Å; E115-Q117 PolarHBondContact O-N 2.84Å; Q117-R121 WeakPolarHBondContact O-CD 3.5Å; Q117-R121 WeakPolarHBondContact O-CG 3.38Å; Q117-R121 PolarHBondContact O-NH1 3.41Å; Q117-I275 HydrophobicContact CG-CD1 3.78Å; Q117-D404 PolarHBondContact NE2-OD2 3.03Å
118H89.1Confident91.4Very high56 Ų5632.4 Ų32.426%0.25918%0.179SC..Hα-helixtrans-80.6-41.8177.2-16439.7000111Q20 K21 S114 E115 W116 R120 R121 A123Q20-H118 PolarHBondContact NE2-CD2 2.9Å; Q20-H118 PolarHBondContact NE2-NE2 3.39Å; K21-H118 VanDerWaalsContact CE-CB 3.49Å; K21-H118 VanDerWaalsContact CE-CD2 3.43Å; K21-H118 WeakPolarHBondContact CE-CD2 3.43Å; K21-H118 VanDerWaalsContact CE-CG 3.41Å; K21-H118 PolarHBondContact NZ-CD2 3.01Å; K21-H118 PolarHBondContact NZ-CE1 3.09Å; K21-H118 PolarHBondContact NZ-ND1 3.31Å; K21-H118 PolarHBondContact NZ-NE2 3.02Å; S114-H118 PolarHBondContact O-N 3.4Å; E115-H118 CarbonylContact O-C 3.59Å; E115-H118 WeakPolarHBondContact O-CA 3.24Å; E115-H118 VanDerWaalsContact O-CB 3.22Å; E115-H118 WeakPolarHBondContact O-CB 3.47Å; E115-H118 PolarHBondContact O-N 3.39Å; W116-H118 PolarHBondContact O-N 3.3Å; H118-R120 VanDerWaalsContact C-N 3.33Å; H118-R121 WeakPolarHBondContact O-CB 3.44Å; H118-R121 PolarHBondContact O-N 3.26Å; H118-R121 VanDerWaalsContact O-N 3.08Å; H118-A123 HydrophobicContact CB-CB 4.26Å; H118-A123 WeakPolarHBondContact CD2-CB 3.3Å; H118-A123 VanDerWaalsContact CE1-CB 3.47Å; H118-A123 WeakPolarHBondContact CE1-CB 3.09Å; H118-A123 VanDerWaalsContact CG-CB 3.43Å; H118-A123 WeakPolarHBondContact NE2-CB 3.11Å; H118-A123 WeakPolarHBondContact O-CB 3.36Å; H118-A123 PolarHBondContact O-N 3.06Å
119I90.7Very high91.2Very high9 Ų933.9 Ų33.95%0.04619%0.188CC..Hα-helixtrans-58.4-46173.9-68.5165.3000110.2E115 W116 R121 G122 F147 V159 V164E115-I119 HydrophobicContact CG-CD1 4.15Å; E115-I119 WeakPolarHBondContact O-CG1 3.33Å; E115-I119 PolarHBondContact O-N 3.36Å; W116-I119 PolarHBondContact O-N 3.46Å; I119-R121 PolarHBondContact O-N 3.18Å; I119-G122 WeakPolarHBondContact O-CA 3.49Å; I119-G122 PolarHBondContact O-N 2.82Å; I119-F147 HydrophobicContact CD1-CD2 4.44Å; I119-F147 HydrophobicContact CD1-CE2 3.89Å; I119-F147 HydrophobicContact CG1-CE2 4.46Å; I119-F147 HydrophobicContact CG2-CB 4.14Å; I119-F147 HydrophobicContact CG2-CD2 3.32Å; I119-F147 HydrophobicContact CG2-CE2 3.9Å; I119-F147 HydrophobicContact CG2-CG 3.92Å; I119-V159 HydrophobicContact CG2-CB 4.49Å; I119-V159 HydrophobicContact CG2-CG1 3.99Å; I119-V159 HydrophobicContact CG2-CG2 4.32Å; I119-V164 HydrophobicContact CD1-CG1 3.94Å; I119-V164 HydrophobicContact CD1-CG2 4.21Å; I119-V164 HydrophobicContact CG2-CG2 4.46Å
120R87Confident91.2Very high22 Ų2233.8 Ų33.88%0.08319%0.188CC..THydrogen-bonded Turntrans-57.4-19.8175.4-76.8-173.269-1626.8114.9W116 H118 G122 S157 V159W116-R120 VanDerWaalsContact CE2-CD 3.4Å; W116-R120 PolarHBondContact O-N 3.37Å; H118-R120 VanDerWaalsContact C-N 3.33Å; R120-G122 VanDerWaalsContact C-N 3.33Å; R120-S157 VanDerWaalsContact CA-OG 3.31Å; R120-S157 WeakPolarHBondContact CA-OG 3.32Å; R120-S157 PolarHBondContact O-OG 2.83Å; R120-V159 HydrophobicContact CG-CB 3.9Å
121R85.4Confident91.2Very high97 Ų9737.1 Ų37.137%0.36620%0.199SC..THydrogen-bonded Turntrans-96.116.7175.5-62.6174.6-173.6125.4-17.6112.4Q117 H118 I119 Y403 D404Q117-R121 WeakPolarHBondContact O-CD 3.5Å; Q117-R121 WeakPolarHBondContact O-CG 3.38Å; Q117-R121 PolarHBondContact O-NH1 3.41Å; H118-R121 WeakPolarHBondContact O-CB 3.44Å; H118-R121 PolarHBondContact O-N 3.26Å; H118-R121 VanDerWaalsContact O-N 3.08Å; I119-R121 PolarHBondContact O-N 3.18Å; R121-Y403 HydrophobicContact CG-CE1 4.01Å; R121-D404 IonicContact CZ-OD1 2.8Å; R121-D404 IonicContact CZ-OD2 3.2Å; R121-D404 IonicContact NE-OD1 3.36Å; R121-D404 PolarHBondContact NE-OD1 3.12Å; R121-D404 IonicContact NH2-OD1 3.8Å; R121-D404 PolarHBondContact NH2-OD1 3.11Å; R121-D404 IonicContact NH2-OD2 2.95Å; R121-D404 PolarHBondContact NH2-OD2 3.05Å
122G85.7Confident91.3Very high41 Ų4137.3 Ų37.342%0.42320%0.201SC..THydrogen-bonded Turntrans79.913.6179.700000114.8I119 R120 T124I119-G122 WeakPolarHBondContact O-CA 3.49Å; I119-G122 PolarHBondContact O-N 2.82Å; R120-G122 VanDerWaalsContact C-N 3.33Å; G122-T124 PolarHBondContact O-N 3.07Å
123A86.8Confident91.2Very high23 Ų2341.7 Ų41.719%0.1922%0.224CC..  trans-73.6129.9175.900000111.1H118H118-A123 HydrophobicContact CB-CB 4.26Å; H118-A123 WeakPolarHBondContact CD2-CB 3.3Å; H118-A123 VanDerWaalsContact CE1-CB 3.47Å; H118-A123 WeakPolarHBondContact CE1-CB 3.09Å; H118-A123 VanDerWaalsContact CG-CB 3.43Å; H118-A123 WeakPolarHBondContact NE2-CB 3.11Å; H118-A123 WeakPolarHBondContact O-CB 3.36Å; H118-A123 PolarHBondContact O-N 3.06Å
124T87.7Confident91.1Very high95 Ų9548.7 Ų48.758%0.58325%0.254SS*.  trans-123.7163.2179.373.80000111.5G122G122-T124 PolarHBondContact O-N 3.07Å
125W88.5Confident91.2Very high31 Ų3154.5 Ų54.512%0.11728%0.28CS..  trans-97.518173.1-77.773.9000112.6Q20 H73 E115 S127 A128 L171 R175Q20-W125 HydrophobicContact CB-CH2 4.46Å; Q20-W125 HydrophobicContact CB-CZ2 4.1Å; Q20-W125 HydrophobicContact CG-CZ2 4.36Å; H73-W125 HydrophobicContact CB-CH2 3.47Å; H73-W125 VanDerWaalsContact CB-CH2 3.47Å; H73-W125 HydrophobicContact CB-CZ3 3.62Å; H73-W125 AromaticContact CD2-CH2 3.73Å; H73-W125 AromaticContact CG-CH2 3.74Å; E115-W125 PolarHBondContact OE1-NE1 3.35Å; W125-S127 PolarHBondContact O-N 3.49Å; W125-A128 HydrophobicContact CB-CB 4.43Å; W125-A128 HydrophobicContact CE3-CB 3.62Å; W125-A128 HydrophobicContact CZ3-CB 4.3Å; W125-A128 VanDerWaalsContact O-CB 3.28Å; W125-A128 WeakPolarHBondContact O-CB 3.41Å; W125-A128 PolarHBondContact O-N 2.75Å; W125-L171 HydrophobicContact CB-CD1 3.95Å; W125-L171 HydrophobicContact CD2-CB 4.25Å; W125-L171 HydrophobicContact CD2-CD1 3.78Å; W125-L171 HydrophobicContact CE3-CB 4.33Å; W125-L171 HydrophobicContact CE3-CD1 3.43Å; W125-L171 VanDerWaalsContact CE3-CD1 3.43Å; W125-L171 HydrophobicContact CG-CD1 3.98Å; W125-L171 HydrophobicContact CZ3-CD1 4.26Å; W125-R175 VanDerWaalsContact NE1-NH2 3.17Å
126H83.6Confident91.2Very high139 Ų13961.2 Ų61.264%0.64431%0.306SS*.THydrogen-bonded Turntrans-59.9-30.6-173.6-17773.3000113.8
127S87Confident91.4Very high77 Ų7761 Ų6154%0.53831%0.308SS..THydrogen-bonded Turntrans-935.6177.956.60000114.3L72 W125L72-S127 WeakPolarHBondContact CD2-OG 3.38Å; W125-S127 PolarHBondContact O-N 3.49Å
128A93.6Very high91.5Very high14 Ų1463.8 Ų63.812%0.11633%0.326CS..  trans-76126172.300000109.7W125 L130W125-A128 HydrophobicContact CB-CB 4.43Å; W125-A128 HydrophobicContact CE3-CB 3.62Å; W125-A128 HydrophobicContact CZ3-CB 4.3Å; W125-A128 VanDerWaalsContact O-CB 3.28Å; W125-A128 WeakPolarHBondContact O-CB 3.41Å; W125-A128 PolarHBondContact O-N 2.75Å; A128-L130 HydrophobicContact CB-CD2 4.09Å; A128-L130 HydrophobicContact CB-CG 4.24Å
129T95Very high91.7Very high34 Ų3467.5 Ų67.521%0.20935%0.347CS..  trans-87.2-29.8-175.744.20000112.4G71 E78 R131 Y136G71-T129 WeakPolarHBondContact CA-OG1 3.31Å; E78-T129 WeakPolarHBondContact OE1-CB 3.13Å; E78-T129 PolarHBondContact OE1-OG1 2.83Å; T129-R131 PolarHBondContact O-N 3.26Å; T129-R131 VanDerWaalsContact O-N 3.14Å; T129-Y136 HydrophobicContact CG2-CE1 3.93Å; T129-Y136 WeakPolarHBondContact O-CD1 3.38Å
130L96.4Very high91.8Very high6 Ų673.4 Ų73.43%0.03137%0.374CS..  trans54.633.2174.4-52.3177.6000112.6E78 A128 C132 P137 Y142 L171 Y189E78-L130 PolarHBondContact OE1-N 3.27Å; A128-L130 HydrophobicContact CB-CD2 4.09Å; A128-L130 HydrophobicContact CB-CG 4.24Å; L130-C132 PolarHBondContact O-N 3.43Å; L130-P137 HydrophobicContact CB-CG 3.9Å; L130-P137 HydrophobicContact CD1-CG 4.12Å; L130-P137 WeakPolarHBondContact O-CD 3.21Å; L130-Y142 HydrophobicContact CD1-CD1 3.59Å; L130-Y142 HydrophobicContact CD1-CD2 4.15Å; L130-Y142 HydrophobicContact CD1-CE1 3.49Å; L130-Y142 VanDerWaalsContact CD1-CE1 3.49Å; L130-Y142 HydrophobicContact CD1-CE2 4.07Å; L130-Y142 HydrophobicContact CD1-CG 3.9Å; L130-L171 HydrophobicContact CD1-CD1 3.99Å; L130-L171 HydrophobicContact CD1-CD2 4.2Å; L130-L171 HydrophobicContact CD2-CD1 3.89Å; L130-L171 HydrophobicContact CD2-CD2 4.37Å; L130-L171 HydrophobicContact CG-CD1 4.5Å; L130-Y189 HydrophobicContact CB-CD2 4.4Å; L130-Y189 HydrophobicContact CB-CE1 4.35Å; L130-Y189 HydrophobicContact CB-CE2 3.78Å; L130-Y189 HydrophobicContact CD1-CE1 4.42Å; L130-Y189 HydrophobicContact CD2-CE1 4.31Å; L130-Y189 WeakPolarHBondContact O-CE2 3.46Å
131R96.9Very high92.2Very high85 Ų8574.4 Ų74.432%0.32138%0.38SS..  trans-70.7134-173.2-64.7174.166.5166.14.9110.8E78 T129 K134 Q135 Y136E78-R131 WeakPolarHBondContact CB-O 3.34Å; E78-R131 VanDerWaalsContact CD-N 3.27Å; E78-R131 HydrophobicContact CG-CB 4.11Å; E78-R131 VanDerWaalsContact OE1-CB 3.28Å; E78-R131 WeakPolarHBondContact OE1-CB 3.37Å; E78-R131 WeakPolarHBondContact OE1-CG 3.42Å; E78-R131 PolarHBondContact OE1-N 2.94Å; T129-R131 PolarHBondContact O-N 3.26Å; T129-R131 VanDerWaalsContact O-N 3.14Å; R131-K134 PolarHBondContact NE-O 2.98Å; R131-K134 PolarHBondContact NH2-O 3.28Å; R131-Q135 VanDerWaalsContact CA-O 3.23Å; R131-Q135 WeakPolarHBondContact CA-O 3.37Å; R131-Y136 HydrophobicContact CG-CD1 4.14Å; R131-Y136 HydrophobicContact CG-CE1 4Å
132C98Very high92.7Very high4 Ų470.9 Ų70.93%0.02737%0.367CS..BIsolated β-bridgetrans-144.9138.2174.6174.20000108.3L130 K134 Q135 S184 C188 Y189L130-C132 PolarHBondContact O-N 3.43Å; C132-K134 PolarHBondContact O-N 3.04Å; C132-Q135 PolarHBondContact N-O 3.35Å; C132-Q135 PolarHBondContact O-N 3.48Å; C132-S184 VanDerWaalsContact SG-CA 3.57Å; C132-C188 HydrophobicContact CB-CB 3.57Å; C132-C188 WeakPolarHBondContact CB-SG 3.32Å; C132-C188 WeakPolarHBondContact SG-CA 3.34Å; C132-C188 WeakPolarHBondContact SG-CB 3.49Å; C132-C188 CovalentContact SG-SG 2.04Å; C132-C188 PolarHBondContact SG-SG 3.04Å; C132-Y189 HydrophobicContact CB-CE2 4.45Å
133N96.5Very high92.9Very high93 Ų9374.3 Ų74.350%0.49737%0.37SS..THydrogen-bonded Turntrans50.538.4-166.6-64.6-23.4000112.3E81 Q135 S184E81-N133 VanDerWaalsContact CD-N 3.33Å; E81-N133 PolarHBondContact OE1-N 2.84Å; E81-N133 WeakPolarHBondContact OE2-CA 3.45Å; E81-N133 PolarHBondContact OE2-N 3.26Å; N133-Q135 PolarHBondContact O-N 2.79Å; N133-Q135 VanDerWaalsContact O-N 3.07Å; N133-S184 VanDerWaalsContact OD1-CB 3.32Å; N133-S184 WeakPolarHBondContact OD1-CB 3.27Å
134K93.3Very high93Very high147 Ų14775 Ų7564%0.63937%0.373SS*.THydrogen-bonded Turntrans62.53.2-176.3-53172.6-177.6171.50115.7E81 R131 C132E81-K134 PolarHBondContact OE2-N 3.34Å; R131-K134 PolarHBondContact NE-O 2.98Å; R131-K134 PolarHBondContact NH2-O 3.28Å; C132-K134 PolarHBondContact O-N 3.04Å
135Q95.6Very high93.1Very high141 Ų14171.8 Ų71.866%0.65935%0.354SS*.BIsolated β-bridgetrans-109.2154-178-65.4178.93.900111.8R131 C132 N133R131-Q135 VanDerWaalsContact CA-O 3.23Å; R131-Q135 WeakPolarHBondContact CA-O 3.37Å; C132-Q135 PolarHBondContact N-O 3.35Å; C132-Q135 PolarHBondContact O-N 3.48Å; N133-Q135 PolarHBondContact O-N 2.79Å; N133-Q135 VanDerWaalsContact O-N 3.07Å
136Y95.9Very high92.6Very high141 Ų14177.2 Ų77.255%0.55338%0.376SS*.PPolyproline II helixtrans-77.1148.7169.7-62.9-88.7000109.6T129 R131T129-Y136 HydrophobicContact CG2-CE1 3.93Å; T129-Y136 WeakPolarHBondContact O-CD1 3.38Å; R131-Y136 HydrophobicContact CG-CD1 4.14Å; R131-Y136 HydrophobicContact CG-CE1 4Å
137P95.8Very high92.4Very high23 Ų2373 Ų7315%0.14936%0.355CS..PPolyproline II helixtrans-63.7133.417429.1-34.8000109.3L130 Y142 Y189L130-P137 HydrophobicContact CB-CG 3.9Å; L130-P137 HydrophobicContact CD1-CG 4.12Å; L130-P137 WeakPolarHBondContact O-CD 3.21Å; P137-Y142 HydrophobicContact CG-CD1 4.18Å; P137-Y142 HydrophobicContact CG-CG 4.39Å; P137-Y189 HydrophobicContact CB-CD2 4.15Å; P137-Y189 HydrophobicContact CB-CG 4.06Å; P137-Y189 HydrophobicContact CG-CD2 4.49Å
138P94Very high91.4Very high61 Ų6171.3 Ų71.340%0.39634%0.34SS..PPolyproline II helixtrans-67.5156.8175.932-37.4000110.2E140 H141 Y142P138-E140 HydrophobicContact CB-CG 3.89Å; P138-E140 HydrophobicContact CG-CG 3.68Å; P138-E140 PolarHBondContact O-N 3.19Å; P138-E140 VanDerWaalsContact O-N 3.11Å; P138-H141 HydrophobicContact CG-CB 4.12Å; P138-H141 WeakPolarHBondContact CG-ND1 3.45Å; P138-H141 PolarHBondContact O-N 3.23Å; P138-Y142 PolarHBondContact O-N 2.67Å; P138-Y142 VanDerWaalsContact O-N 3.11Å
139L91.6Very high89.5Confident134 Ų13479.4 Ų79.470%0.70238%0.376SS*.THydrogen-bonded Turntrans-61.4-22.3-175.3-69.2175000114H141 Y142 K143L139-H141 VanDerWaalsContact C-N 3.28Å; L139-Y142 WeakPolarHBondContact CA-O 3.08Å; L139-K143 WeakPolarHBondContact O-CE 3.07Å; L139-K143 WeakPolarHBondContact O-CG 3.33Å
140E94.2Very high87.4Confident133 Ų13385.5 Ų85.562%0.62140%0.402SS*.THydrogen-bonded Turntrans-65.8-29.417156.9175.6-175.300112.9P138P138-E140 HydrophobicContact CB-CG 3.89Å; P138-E140 HydrophobicContact CG-CG 3.68Å; P138-E140 PolarHBondContact O-N 3.19Å; P138-E140 VanDerWaalsContact O-N 3.11Å
141H94.5Very high84.9Confident44 Ų4492 Ų9220%0.20444%0.435CS..THydrogen-bonded Turntrans-101.7-22.3-175-65151.2000112.7P138 L139P138-H141 HydrophobicContact CG-CB 4.12Å; P138-H141 WeakPolarHBondContact CG-ND1 3.45Å; P138-H141 PolarHBondContact O-N 3.23Å; L139-H141 VanDerWaalsContact C-N 3.28Å
142Y95.4Very high82.4Confident22 Ų2291.5 Ų91.59%0.08644%0.441CS..  trans-147.9128.8175.8175.7-112.3000112.3L130 P137 P138 L139 P144 L171 L192L130-Y142 HydrophobicContact CD1-CD1 3.59Å; L130-Y142 HydrophobicContact CD1-CD2 4.15Å; L130-Y142 HydrophobicContact CD1-CE1 3.49Å; L130-Y142 VanDerWaalsContact CD1-CE1 3.49Å; L130-Y142 HydrophobicContact CD1-CE2 4.07Å; L130-Y142 HydrophobicContact CD1-CG 3.9Å; P137-Y142 HydrophobicContact CG-CD1 4.18Å; P137-Y142 HydrophobicContact CG-CG 4.39Å; P138-Y142 PolarHBondContact O-N 2.67Å; P138-Y142 VanDerWaalsContact O-N 3.11Å; L139-Y142 WeakPolarHBondContact CA-O 3.08Å; Y142-P144 HydrophobicContact CE1-CG 4.11Å; Y142-L171 HydrophobicContact CD2-CD2 4.26Å; Y142-L171 HydrophobicContact CE2-CD1 3.95Å; Y142-L171 HydrophobicContact CE2-CD2 3.85Å; Y142-L171 HydrophobicContact CE2-CG 3.78Å; Y142-L171 WeakPolarHBondContact OH-CD1 3.48Å; Y142-L192 HydrophobicContact CD2-CD2 3.59Å; Y142-L192 HydrophobicContact CE2-CD2 4.45Å; Y142-L192 HydrophobicContact CG-CD2 4.36Å
143K91.5Very high79.9Confident113 Ų11399.4 Ų99.449%0.49148%0.478SS..  trans-124.6132.8165.7-59.6-178.3-177.5-178.90108.6L139 C145 Y169L139-K143 WeakPolarHBondContact O-CE 3.07Å; L139-K143 WeakPolarHBondContact O-CG 3.33Å; K143-C145 PolarHBondContact O-N 2.86Å; K143-Y169 HydrophobicContact CB-CD2 3.86Å; K143-Y169 HydrophobicContact CB-CE2 4.06Å; K143-Y169 HydrophobicContact CB-CG 4.29Å; K143-Y169 HydrophobicContact CD-CE2 4.12Å; K143-Y169 HydrophobicContact CG-CD2 4.42Å; K143-Y169 HydrophobicContact CG-CE2 4.13Å; K143-Y169 WeakPolarHBondContact O-CB 3.31Å
144P88.7Confident77.4Confident37 Ų37103 Ų10324%0.2450%0.497CS..  trans-57.2135.1173.9-22.732.9000111.1Y142 Y146Y142-P144 HydrophobicContact CE1-CG 4.11Å; P144-Y146 HydrophobicContact CB-CD2 4.43Å; P144-Y146 HydrophobicContact CB-CE1 4.48Å; P144-Y146 HydrophobicContact CB-CE2 3.82Å; P144-Y146 HydrophobicContact CG-CE2 4.28Å; P144-Y146 WeakPolarHBondContact O-CD2 3.44Å; P144-Y146 PolarHBondContact O-N 3.29Å
145C88.7Confident75.2Confident28 Ų28101.6 Ų101.619%0.18950%0.496CS..  trans-74.4110.9168.7-56.30000108.6K143 F147 C167 N170K143-C145 PolarHBondContact O-N 2.86Å; C145-F147 HydrophobicContact CB-CD2 4.28Å; C145-F147 HydrophobicContact CB-CE1 3.91Å; C145-F147 HydrophobicContact CB-CE2 3.46Å; C145-F147 VanDerWaalsContact CB-CE2 3.46Å; C145-F147 HydrophobicContact CB-CZ 3.26Å; C145-C167 HydrophobicContact CB-CB 3.94Å; C145-C167 WeakPolarHBondContact CB-SG 3.4Å; C145-C167 WeakPolarHBondContact SG-CB 3.45Å; C145-C167 CovalentContact SG-SG 2.03Å; C145-C167 PolarHBondContact SG-SG 3.41Å; C145-N170 WeakPolarHBondContact SG-CA 3.4Å; C145-N170 PolarHBondContact SG-N 2.75Å; C145-N170 VanDerWaalsContact SG-N 3.37Å
146Y79.5Confident73.1Confident146 Ų14696.1 Ų96.157%0.57347%0.472SS*.  trans-92.4117.4169.9-62.6-79.5000108P144P144-Y146 HydrophobicContact CB-CD2 4.43Å; P144-Y146 HydrophobicContact CB-CE1 4.48Å; P144-Y146 HydrophobicContact CB-CE2 3.82Å; P144-Y146 HydrophobicContact CG-CE2 4.28Å; P144-Y146 WeakPolarHBondContact O-CD2 3.44Å; P144-Y146 PolarHBondContact O-N 3.29Å
147F77.9Confident71.4Confident50 Ų5090.2 Ų90.222%0.21945%0.452CS..SBendtrans-104.6-11.4177.6-55.3-73000112.3I119 C145 V159 S163 V164 C167I119-F147 HydrophobicContact CD1-CD2 4.44Å; I119-F147 HydrophobicContact CD1-CE2 3.89Å; I119-F147 HydrophobicContact CG1-CE2 4.46Å; I119-F147 HydrophobicContact CG2-CB 4.14Å; I119-F147 HydrophobicContact CG2-CD2 3.32Å; I119-F147 HydrophobicContact CG2-CE2 3.9Å; I119-F147 HydrophobicContact CG2-CG 3.92Å; C145-F147 HydrophobicContact CB-CD2 4.28Å; C145-F147 HydrophobicContact CB-CE1 3.91Å; C145-F147 HydrophobicContact CB-CE2 3.46Å; C145-F147 VanDerWaalsContact CB-CE2 3.46Å; C145-F147 HydrophobicContact CB-CZ 3.26Å; F147-V159 HydrophobicContact CB-CB 4.24Å; F147-V159 HydrophobicContact CB-CG1 3.64Å; F147-V159 HydrophobicContact CB-CG2 3.57Å; F147-V159 HydrophobicContact CD1-CG1 4.04Å; F147-V159 HydrophobicContact CG-CG1 3.87Å; F147-S163 WeakPolarHBondContact CE1-O 3.25Å; F147-V164 HydrophobicContact CD1-CG2 4.1Å; F147-V164 HydrophobicContact CE1-CB 4.29Å; F147-V164 HydrophobicContact CE1-CG2 3.84Å; F147-V164 HydrophobicContact CE2-CG2 4.37Å; F147-V164 HydrophobicContact CG-CG2 4.49Å; F147-V164 HydrophobicContact CZ-CB 4.33Å; F147-V164 HydrophobicContact CZ-CG1 4.41Å; F147-V164 HydrophobicContact CZ-CG2 3.95Å; F147-C167 HydrophobicContact CE1-CB 4.09Å; F147-C167 HydrophobicContact CZ-CB 4.22Å
148N66.6Low70.4Confident42 Ų4295.1 Ų95.123%0.22548%0.477CS..  trans-123.794179.6-56.11.9000105.8E150 I151 S157 V159N148-E150 VanDerWaalsContact C-N 3.28Å; N148-I151 HydrophobicContact CB-CG1 4.32Å; N148-S157 VanDerWaalsContact CG-CB 3.47Å; N148-S157 VanDerWaalsContact ND2-CB 3.32Å; N148-S157 WeakPolarHBondContact ND2-CB 3.35Å; N148-S157 WeakPolarHBondContact OD1-CB 3.48Å; N148-V159 WeakPolarHBondContact OD1-CG2 3.35Å
149E54.5Low70Confident183 Ų18392.4 Ų92.486%0.85546%0.459SS*.SBendtrans-75.9-25.4170.3-68.9-172.8168.400110.7
150E49.2Very low70Confident162 Ų16289 Ų8976%0.75745%0.447SS*.  trans-124.598.7178.2-63.5178.8172.900110N148 V152N148-E150 VanDerWaalsContact C-N 3.28Å; E150-V152 HydrophobicContact CB-CG2 4.3Å; E150-V152 PolarHBondContact O-N 3.13Å
151I45.4Very low69.9Low143 Ų14383.4 Ų83.473%0.73342%0.421SS*.  trans-76.781.3162.2-56.3174.7000106.2N148 E153N148-I151 HydrophobicContact CB-CG1 4.32Å; I151-E153 PolarHBondContact O-N 2.88Å
152V43.1Very low69.8Low75 Ų7585.9 Ų85.946%0.45543%0.431SS..  trans-73117.9160.2-176.10000106.1E150 N154 I155E150-V152 HydrophobicContact CB-CG2 4.3Å; E150-V152 PolarHBondContact O-N 3.13Å; V152-N154 PolarHBondContact O-N 2.77Å; V152-I155 HydrophobicContact CB-CD1 3.99Å; V152-I155 HydrophobicContact CB-CG1 4.27Å; V152-I155 HydrophobicContact CG1-CD1 3.88Å; V152-I155 HydrophobicContact CG1-CG1 4.19Å; V152-I155 PolarHBondContact O-N 3.18Å
153E45.2Very low69.6Low170 Ų17086.7 Ų86.779%0.79444%0.44SS*.THydrogen-bonded Turntrans-49.2128.4175.8-69.2-172.7160.300109.6I151I151-E153 PolarHBondContact O-N 2.88Å
154N45.7Very low69.8Low169 Ų16981.4 Ų81.490%0.90442%0.417SS*.THydrogen-bonded Turntrans782.6179.1-54.5-41.4000119.1V152V152-N154 PolarHBondContact O-N 2.77Å
155I45.7Very low70.1Confident117 Ų11780 Ų8060%0.641%0.408SS*.  trans-93.7114.4167-55.8-178.5000108.4V152 S157V152-I155 HydrophobicContact CB-CD1 3.99Å; V152-I155 HydrophobicContact CB-CG1 4.27Å; V152-I155 HydrophobicContact CG1-CD1 3.88Å; V152-I155 HydrophobicContact CG1-CG1 4.19Å; V152-I155 PolarHBondContact O-N 3.18Å; I155-S157 PolarHBondContact O-N 3.28Å; I155-S157 VanDerWaalsContact O-N 3.12Å
156S52.4Low70.4Confident25 Ų2583 Ų8318%0.17542%0.422CS..  trans-50.4122.5169.2169.30000108.7N158 I407S156-N158 PolarHBondContact O-N 2.85Å; S156-I407 VanDerWaalsContact CB-CD1 3.45Å; S156-I407 WeakPolarHBondContact OG-CD1 3.2Å
157S59.3Low71.1Confident18 Ų1877.2 Ų77.213%0.12640%0.402CS..  trans-59.4117.118060.90000110.2R120 N148 I155 V159R120-S157 VanDerWaalsContact CA-OG 3.31Å; R120-S157 WeakPolarHBondContact CA-OG 3.32Å; R120-S157 PolarHBondContact O-OG 2.83Å; N148-S157 VanDerWaalsContact CG-CB 3.47Å; N148-S157 VanDerWaalsContact ND2-CB 3.32Å; N148-S157 WeakPolarHBondContact ND2-CB 3.35Å; N148-S157 WeakPolarHBondContact OD1-CB 3.48Å; I155-S157 PolarHBondContact O-N 3.28Å; I155-S157 VanDerWaalsContact O-N 3.12Å; S157-V159 PolarHBondContact O-N 2.88Å
158N74.9Confident71.9Confident125 Ų12577.9 Ų77.967%0.66841%0.411SS*.  trans-74.547.3176.3-85.7-8.7000110.8S156 S160S156-N158 PolarHBondContact O-N 2.85Å; N158-S160 PolarHBondContact O-N 2.88Å
159V86.8Confident73.3Confident5 Ų578.1 Ų78.13%0.0341%0.41CS..  trans-70.8104.9177.6-177.30000108.5W116 I119 R120 F147 N148 S157 S163 V164W116-V159 PolarHBondContact NE1-O 3.43Å; I119-V159 HydrophobicContact CG2-CB 4.49Å; I119-V159 HydrophobicContact CG2-CG1 3.99Å; I119-V159 HydrophobicContact CG2-CG2 4.32Å; R120-V159 HydrophobicContact CG-CB 3.9Å; F147-V159 HydrophobicContact CB-CB 4.24Å; F147-V159 HydrophobicContact CB-CG1 3.64Å; F147-V159 HydrophobicContact CB-CG2 3.57Å; F147-V159 HydrophobicContact CD1-CG1 4.04Å; F147-V159 HydrophobicContact CG-CG1 3.87Å; N148-V159 WeakPolarHBondContact OD1-CG2 3.35Å; S157-V159 PolarHBondContact O-N 2.88Å; V159-S163 WeakPolarHBondContact CG1-OG 3.41Å; V159-V164 HydrophobicContact CG1-CG2 3.5Å; V159-V164 VanDerWaalsContact CG1-CG2 3.5Å
160S90.1Very high75.2Confident62 Ų6269.7 Ų69.743%0.43437%0.37SS..  trans-66.4148.7176.772.40000110.8N158 K162 S163 V164N158-S160 PolarHBondContact O-N 2.88Å; S160-K162 PolarHBondContact O-N 3.06Å; S160-S163 PolarHBondContact O-N 3.15Å; S160-S163 PolarHBondContact O-OG 2.96Å; S160-S163 WeakPolarHBondContact OG-CB 3.32Å; S160-S163 PolarHBondContact OG-N 3.41Å; S160-S163 VanDerWaalsContact OG-N 3.09Å; S160-S163 PolarHBondContact OG-OG 3.24Å; S160-V164 PolarHBondContact O-N 2.68Å
161M92Very high77.5Confident15 Ų1562.1 Ų62.17%0.07434%0.335CS..Hα-helixtrans-56.8-40.2174-176.96673.400111.1F112 I113 W116 S163 V164 I165 L279 T283 I287F112-M161 HydrophobicContact CD1-SD 4.26Å; F112-M161 HydrophobicContact CE1-SD 3.94Å; I113-M161 HydrophobicContact CG1-CE 4.29Å; W116-M161 HydrophobicContact CB-CE 3.9Å; W116-M161 HydrophobicContact CB-SD 3.95Å; W116-M161 HydrophobicContact CD2-CE 3.36Å; W116-M161 HydrophobicContact CD2-SD 4.14Å; W116-M161 HydrophobicContact CE3-CE 3.42Å; W116-M161 VanDerWaalsContact CE3-CE 3.42Å; W116-M161 HydrophobicContact CG-CE 3.59Å; W116-M161 HydrophobicContact CG-SD 3.77Å; W116-M161 HydrophobicContact CZ3-CE 4.07Å; M161-S163 PolarHBondContact O-N 2.81Å; M161-V164 PolarHBondContact O-N 3.33Å; M161-V164 VanDerWaalsContact O-N 3.14Å; M161-I165 HydrophobicContact CG-CD1 3.82Å; M161-I165 HydrophobicContact CG-CG1 4.39Å; M161-I165 WeakPolarHBondContact O-CG1 3.44Å; M161-I165 PolarHBondContact O-N 3.39Å; M161-I165 HydrophobicContact SD-CD1 4.48Å; M161-L279 HydrophobicContact CE-CD1 4.41Å; M161-T283 HydrophobicContact CB-CG2 4.26Å; M161-T283 HydrophobicContact CG-CG2 3.69Å; M161-I287 HydrophobicContact CE-CD1 3.95Å; M161-I287 HydrophobicContact CG-CD1 4.2Å; M161-I287 HydrophobicContact CG-CG1 4.38Å; M161-I287 HydrophobicContact SD-CD1 3.93Å; M161-I287 HydrophobicContact SD-CG1 4.18Å
162K92.5Very high79.9Confident96 Ų9655.3 Ų55.342%0.41730%0.3SS..Hα-helixtrans-56.4-46.5178.1-168.272.8171.969.30112S160 V164 I165 D166 E286S160-K162 PolarHBondContact O-N 3.06Å; K162-V164 VanDerWaalsContact C-N 3.26Å; K162-V164 PolarHBondContact O-N 2.88Å; K162-I165 PolarHBondContact O-N 2.94Å; K162-I165 VanDerWaalsContact O-N 3.13Å; K162-D166 WeakPolarHBondContact CG-OD2 3.33Å; K162-D166 IonicContact NZ-OD1 2.75Å; K162-D166 PolarHBondContact NZ-OD1 3.5Å; K162-D166 IonicContact NZ-OD2 2.65Å; K162-D166 PolarHBondContact NZ-OD2 2.96Å; K162-D166 WeakPolarHBondContact O-CB 3.46Å; K162-D166 VanDerWaalsContact O-CG 3.24Å; K162-D166 PolarHBondContact O-N 3.37Å; K162-E286 WeakPolarHBondContact CD-OE2 3.44Å
163S92.8Very high82.5Confident40 Ų4051.9 Ų51.928%0.2828%0.279SS..Hα-helixtrans-59.3-37.4177.9700000112.8F147 V159 S160 M161 C167F147-S163 WeakPolarHBondContact CE1-O 3.25Å; V159-S163 WeakPolarHBondContact CG1-OG 3.41Å; S160-S163 PolarHBondContact O-N 3.15Å; S160-S163 PolarHBondContact O-OG 2.96Å; S160-S163 WeakPolarHBondContact OG-CB 3.32Å; S160-S163 PolarHBondContact OG-N 3.41Å; S160-S163 VanDerWaalsContact OG-N 3.09Å; S160-S163 PolarHBondContact OG-OG 3.24Å; M161-S163 PolarHBondContact O-N 2.81Å; S163-C167 PolarHBondContact O-N 3.24Å
164V94.2Very high85.1Confident1 Ų143.8 Ų43.81%0.00624%0.242CC..Hα-helixtrans-71.4-38.7177.5178.20000111.4F112 I119 F147 V159 S160 M161 K162 N170F112-V164 HydrophobicContact CE1-CG1 4.25Å; F112-V164 HydrophobicContact CZ-CG1 3.91Å; I119-V164 HydrophobicContact CD1-CG1 3.94Å; I119-V164 HydrophobicContact CD1-CG2 4.21Å; I119-V164 HydrophobicContact CG2-CG2 4.46Å; F147-V164 HydrophobicContact CD1-CG2 4.1Å; F147-V164 HydrophobicContact CE1-CB 4.29Å; F147-V164 HydrophobicContact CE1-CG2 3.84Å; F147-V164 HydrophobicContact CE2-CG2 4.37Å; F147-V164 HydrophobicContact CG-CG2 4.49Å; F147-V164 HydrophobicContact CZ-CB 4.33Å; F147-V164 HydrophobicContact CZ-CG1 4.41Å; F147-V164 HydrophobicContact CZ-CG2 3.95Å; V159-V164 HydrophobicContact CG1-CG2 3.5Å; V159-V164 VanDerWaalsContact CG1-CG2 3.5Å; S160-V164 PolarHBondContact O-N 2.68Å; M161-V164 PolarHBondContact O-N 3.33Å; M161-V164 VanDerWaalsContact O-N 3.14Å; K162-V164 VanDerWaalsContact C-N 3.26Å; K162-V164 PolarHBondContact O-N 2.88Å; V164-N170 WeakPolarHBondContact CG1-ND2 3.42Å; V164-N170 PolarHBondContact O-ND2 3.47Å
165I95.5Very high87.6Confident9 Ų935.8 Ų35.85%0.04620%0.199CC..Hα-helixtrans-67.4-41.8176.5-67.9172.7000111.1F112 M161 K162 C167 E286 I287 V290F112-I165 HydrophobicContact CE1-CG1 3.85Å; F112-I165 HydrophobicContact CZ-CG1 4.02Å; M161-I165 HydrophobicContact CG-CD1 3.82Å; M161-I165 HydrophobicContact CG-CG1 4.39Å; M161-I165 WeakPolarHBondContact O-CG1 3.44Å; M161-I165 PolarHBondContact O-N 3.39Å; M161-I165 HydrophobicContact SD-CD1 4.48Å; K162-I165 PolarHBondContact O-N 2.94Å; K162-I165 VanDerWaalsContact O-N 3.13Å; I165-C167 VanDerWaalsContact C-N 3.34Å; I165-C167 PolarHBondContact O-N 3.01Å; I165-E286 HydrophobicContact CD1-CB 3.72Å; I165-E286 HydrophobicContact CG2-CB 4.38Å; I165-I287 HydrophobicContact CD1-CG1 3.79Å; I165-V290 HydrophobicContact CG1-CG1 4.43Å; I165-V290 HydrophobicContact CG2-CB 4.31Å; I165-V290 HydrophobicContact CG2-CG1 4.47Å
166D94.4Very high90.1Very high90 Ų9030.2 Ų30.248%0.48117%0.17SC..Hα-helixtrans-77.2-17.1-172.6-69.4-13000113.6K162 P168K162-D166 WeakPolarHBondContact CG-OD2 3.33Å; K162-D166 IonicContact NZ-OD1 2.75Å; K162-D166 PolarHBondContact NZ-OD1 3.5Å; K162-D166 IonicContact NZ-OD2 2.65Å; K162-D166 PolarHBondContact NZ-OD2 2.96Å; K162-D166 WeakPolarHBondContact O-CB 3.46Å; K162-D166 VanDerWaalsContact O-CG 3.24Å; K162-D166 PolarHBondContact O-N 3.37Å; D166-P168 WeakPolarHBondContact O-CD 3.18Å
167C94.7Very high92.3Very high24 Ų2429 Ų2916%0.16216%0.162CC..  trans-70114.1178.3-175.90000111.4C145 F147 S163 I165 Y169 N170C145-C167 HydrophobicContact CB-CB 3.94Å; C145-C167 WeakPolarHBondContact CB-SG 3.4Å; C145-C167 WeakPolarHBondContact SG-CB 3.45Å; C145-C167 CovalentContact SG-SG 2.03Å; C145-C167 PolarHBondContact SG-SG 3.41Å; F147-C167 HydrophobicContact CE1-CB 4.09Å; F147-C167 HydrophobicContact CZ-CB 4.22Å; S163-C167 PolarHBondContact O-N 3.24Å; I165-C167 VanDerWaalsContact C-N 3.34Å; I165-C167 PolarHBondContact O-N 3.01Å; C167-Y169 VanDerWaalsContact C-N 3.26Å; C167-Y169 PolarHBondContact O-N 3.34Å; C167-N170 HydrophobicContact CB-CB 4.14Å; C167-N170 WeakPolarHBondContact O-CB 3.2Å; C167-N170 PolarHBondContact O-N 2.98Å; C167-N170 VanDerWaalsContact O-N 3.11Å
168P94.8Very high94.2Very high64 Ų6428.5 Ų28.542%0.41616%0.157SC..THydrogen-bonded Turntrans-69.8-22.2-173.328.1-35.7000113.6D166 T193 S196D166-P168 WeakPolarHBondContact O-CD 3.18Å; P168-T193 HydrophobicContact CB-CG2 4.16Å; P168-S196 WeakPolarHBondContact O-CB 3.4Å; P168-S196 PolarHBondContact O-OG 3.38Å
169Y95.2Very high95.3Very high48 Ų4822.5 Ų22.519%0.18813%0.125CC..THydrogen-bonded Turntrans-94.19.5177.9-59.1-72.7000113.2K143 C167 L171 L192 T193K143-Y169 HydrophobicContact CB-CD2 3.86Å; K143-Y169 HydrophobicContact CB-CE2 4.06Å; K143-Y169 HydrophobicContact CB-CG 4.29Å; K143-Y169 HydrophobicContact CD-CE2 4.12Å; K143-Y169 HydrophobicContact CG-CD2 4.42Å; K143-Y169 HydrophobicContact CG-CE2 4.13Å; K143-Y169 WeakPolarHBondContact O-CB 3.31Å; C167-Y169 VanDerWaalsContact C-N 3.26Å; C167-Y169 PolarHBondContact O-N 3.34Å; Y169-L171 PolarHBondContact O-N 3.05Å; Y169-L192 HydrophobicContact CD1-CD2 4.28Å; Y169-T193 HydrophobicContact CD1-CG2 3.73Å; Y169-T193 HydrophobicContact CE1-CG2 3.36Å
170N95.4Very high95.9Very high5 Ų522.3 Ų22.33%0.02712%0.124CC..  trans-65.8109.9-174.5-172.6-0.9000111.7C145 V164 C167 A172 S173C145-N170 WeakPolarHBondContact SG-CA 3.4Å; C145-N170 PolarHBondContact SG-N 2.75Å; C145-N170 VanDerWaalsContact SG-N 3.37Å; V164-N170 WeakPolarHBondContact CG1-ND2 3.42Å; V164-N170 PolarHBondContact O-ND2 3.47Å; C167-N170 HydrophobicContact CB-CB 4.14Å; C167-N170 WeakPolarHBondContact O-CB 3.2Å; C167-N170 PolarHBondContact O-N 2.98Å; C167-N170 VanDerWaalsContact O-N 3.11Å; N170-A172 PolarHBondContact O-N 2.75Å; N170-A172 WeakPolarHBondContact OD1-CB 3.31Å; N170-A172 PolarHBondContact OD1-N 3.24Å; N170-S173 WeakPolarHBondContact O-CB 3.39Å; N170-S173 PolarHBondContact O-N 2.86Å
171L96.8Very high96.3Very high3 Ų319.3 Ų19.32%0.01610%0.103CC..THydrogen-bonded Turntrans-64.5-9.5177.2-62.2179.4000113.6W125 L130 Y142 Y169 R175 R178 L192W125-L171 HydrophobicContact CB-CD1 3.95Å; W125-L171 HydrophobicContact CD2-CB 4.25Å; W125-L171 HydrophobicContact CD2-CD1 3.78Å; W125-L171 HydrophobicContact CE3-CB 4.33Å; W125-L171 HydrophobicContact CE3-CD1 3.43Å; W125-L171 VanDerWaalsContact CE3-CD1 3.43Å; W125-L171 HydrophobicContact CG-CD1 3.98Å; W125-L171 HydrophobicContact CZ3-CD1 4.26Å; L130-L171 HydrophobicContact CD1-CD1 3.99Å; L130-L171 HydrophobicContact CD1-CD2 4.2Å; L130-L171 HydrophobicContact CD2-CD1 3.89Å; L130-L171 HydrophobicContact CD2-CD2 4.37Å; L130-L171 HydrophobicContact CG-CD1 4.5Å; Y142-L171 HydrophobicContact CD2-CD2 4.26Å; Y142-L171 HydrophobicContact CE2-CD1 3.95Å; Y142-L171 HydrophobicContact CE2-CD2 3.85Å; Y142-L171 HydrophobicContact CE2-CG 3.78Å; Y142-L171 WeakPolarHBondContact OH-CD1 3.48Å; Y169-L171 PolarHBondContact O-N 3.05Å; L171-R175 WeakPolarHBondContact O-CB 3.27Å; L171-R175 PolarHBondContact O-NE 2.86Å; L171-R178 PolarHBondContact O-NH2 3.43Å; L171-R178 VanDerWaalsContact O-NH2 3.14Å; L171-L192 HydrophobicContact CD2-CD1 4.32Å; L171-L192 HydrophobicContact CD2-CD2 4.12Å
172A96.8Very high96.6Very high0 Ų021.3 Ų21.30%011%0.114CC..THydrogen-bonded Turntrans-72.6-32.5169.800000112.4R111 F112 E115 N170 N174 R175R111-A172 PolarHBondContact NH1-O 3.31Å; R111-A172 PolarHBondContact NH2-O 2.81Å; F112-A172 HydrophobicContact CD2-CB 3.98Å; F112-A172 HydrophobicContact CE2-CB 3.79Å; E115-A172 HydrophobicContact CB-CB 4.42Å; E115-A172 HydrophobicContact CG-CB 3.76Å; N170-A172 PolarHBondContact O-N 2.75Å; N170-A172 WeakPolarHBondContact OD1-CB 3.31Å; N170-A172 PolarHBondContact OD1-N 3.24Å; A172-N174 PolarHBondContact O-N 2.84Å; A172-R175 VanDerWaalsContact CA-NH2 3.34Å
173S97.8Very high96.9Very high3 Ų316.8 Ų16.82%0.0219%0.094CC..THydrogen-bonded Turntrans-66.7130.3-179.9-56.10000110.5N170 R175 V290N170-S173 WeakPolarHBondContact O-CB 3.39Å; N170-S173 PolarHBondContact O-N 2.86Å; S173-R175 PolarHBondContact O-N 3.27Å; S173-V290 VanDerWaalsContact OG-CG2 3.31Å; S173-V290 WeakPolarHBondContact OG-CG2 3.47Å
174N98.6Very high97.2Very high1 Ų116.8 Ų16.81%0.00510%0.095CC..THydrogen-bonded Turntrans45.636.2-179.8-65.2-47.7000114.4A172 Q176 T177 R178 W195 V290 N291 R292 L293 D294A172-N174 PolarHBondContact O-N 2.84Å; N174-Q176 PolarHBondContact O-N 2.78Å; N174-T177 PolarHBondContact O-N 3.12Å; N174-R178 WeakPolarHBondContact O-CB 3.39Å; N174-R178 PolarHBondContact O-N 3.39Å; N174-W195 PolarHBondContact ND2-O 2.81Å; N174-V290 PolarHBondContact ND2-O 2.82Å; N174-V290 VanDerWaalsContact ND2-O 3.17Å; N174-N291 PolarHBondContact N-OD1 2.89Å; N174-N291 WeakPolarHBondContact OD1-CA 3.43Å; N174-N291 PolarHBondContact OD1-O 3.18Å; N174-R292 PolarHBondContact OD1-N 3.31Å; N174-L293 HydrophobicContact CB-CB 4.1Å; N174-L293 HydrophobicContact CB-CD1 4.29Å; N174-L293 WeakPolarHBondContact OD1-CA 3.45Å; N174-L293 WeakPolarHBondContact OD1-CB 3.18Å; N174-L293 PolarHBondContact OD1-N 3Å; N174-D294 VanDerWaalsContact C-CG 3.48Å; N174-D294 VanDerWaalsContact CA-OD1 3.28Å; N174-D294 WeakPolarHBondContact CA-OD1 3.25Å; N174-D294 PolarHBondContact OD1-N 2.94Å; N174-D294 VanDerWaalsContact OD1-N 3.12Å
175R98.5Very high97.3Very high0 Ų020.5 Ų20.50%012%0.121CC..Hα-helixtrans-62.3-43.3-170.3-178.4179.6-70.1173-4.6112.6I19 Q20 E115 W125 L171 A172 S173 T177 R178 M179 D294I19-R175 HydrophobicContact CG2-CG 4.18Å; Q20-R175 VanDerWaalsContact CB-NH1 3.26Å; Q20-R175 WeakPolarHBondContact O-CD 3.42Å; Q20-R175 PolarHBondContact O-NH1 2.72Å; E115-R175 VanDerWaalsContact CD-NH2 3.29Å; E115-R175 IonicContact OE1-CZ 3.98Å; E115-R175 IonicContact OE1-NH1 2.72Å; E115-R175 PolarHBondContact OE1-NH1 3.24Å; E115-R175 IonicContact OE1-NH2 3.75Å; E115-R175 PolarHBondContact OE1-NH2 2.93Å; E115-R175 IonicContact OE2-CZ 3.1Å; E115-R175 IonicContact OE2-NH1 3.7Å; E115-R175 PolarHBondContact OE2-NH1 3.47Å; E115-R175 IonicContact OE2-NH2 3.6Å; W125-R175 VanDerWaalsContact NE1-NH2 3.17Å; L171-R175 WeakPolarHBondContact O-CB 3.27Å; L171-R175 PolarHBondContact O-NE 2.86Å; A172-R175 VanDerWaalsContact CA-NH2 3.34Å; S173-R175 PolarHBondContact O-N 3.27Å; R175-T177 VanDerWaalsContact C-N 3.29Å; R175-T177 PolarHBondContact O-N 2.58Å; R175-R178 PolarHBondContact O-N 3.15Å; R175-M179 HydrophobicContact CG-CG 3.93Å; R175-M179 HydrophobicContact CG-SD 3.54Å; R175-M179 VanDerWaalsContact CG-SD 3.54Å; R175-M179 VanDerWaalsContact O-CB 3.28Å; R175-M179 WeakPolarHBondContact O-CB 3.1Å; R175-M179 VanDerWaalsContact O-CG 3.27Å; R175-M179 WeakPolarHBondContact O-CG 3.31Å; R175-M179 PolarHBondContact O-N 3.1Å; R175-D294 PolarHBondContact N-OD1 3.26Å; R175-D294 PolarHBondContact N-OD2 3.01Å
176Q98.8Very high97.5Very high1 Ų121.6 Ų21.61%0.00513%0.126CC..Hα-helixtrans-64.2-41.7-177.7-64.4179.1100.700110I19 L105 R106 N174 L180 D294 L297I19-Q176 HydrophobicContact CG2-CG 3.99Å; L105-Q176 VanDerWaalsContact CA-OE1 3.24Å; R106-Q176 PolarHBondContact O-NE2 3.21Å; R106-Q176 PolarHBondContact O-OE1 3.16Å; N174-Q176 PolarHBondContact O-N 2.78Å; Q176-L180 VanDerWaalsContact O-CB 3.29Å; Q176-L180 WeakPolarHBondContact O-CB 3.23Å; Q176-L180 WeakPolarHBondContact O-CG 3.43Å; Q176-L180 PolarHBondContact O-N 3.26Å; Q176-D294 PolarHBondContact N-OD1 3.29Å; Q176-D294 VanDerWaalsContact N-OD1 3.09Å; Q176-D294 PolarHBondContact N-OD2 3.12Å; Q176-L297 HydrophobicContact CB-CD2 4.05Å
177T98.8Very high97.6Very high0 Ų019.2 Ų19.20%012%0.123CC..Hα-helixtrans-63.2-50.8176.3-46.70000111.1N174 R175 M179 L180 A181 L214 L215 A218 L293 D294N174-T177 PolarHBondContact O-N 3.12Å; R175-T177 VanDerWaalsContact C-N 3.29Å; R175-T177 PolarHBondContact O-N 2.58Å; T177-M179 PolarHBondContact O-N 3.24Å; T177-L180 PolarHBondContact O-N 3.28Å; T177-A181 WeakPolarHBondContact O-CB 3.39Å; T177-A181 PolarHBondContact O-N 2.88Å; T177-L214 HydrophobicContact CG2-CD2 4.09Å; T177-L214 HydrophobicContact CG2-CG 4Å; T177-L215 HydrophobicContact CG2-CB 4.31Å; T177-L215 HydrophobicContact CG2-CD1 4.17Å; T177-A218 HydrophobicContact CG2-CB 3.84Å; T177-A218 WeakPolarHBondContact O-CB 2.98Å; T177-L293 HydrophobicContact CG2-CB 4.16Å; T177-L293 VanDerWaalsContact OG1-C 3.3Å; T177-L293 PolarHBondContact OG1-O 2.92Å; T177-D294 WeakPolarHBondContact CB-OD1 3.44Å; T177-D294 PolarHBondContact N-OD1 3.36Å; T177-D294 WeakPolarHBondContact OG1-CA 3.03Å; T177-D294 PolarHBondContact OG1-N 3.31Å; T177-D294 PolarHBondContact OG1-OD1 3.27Å
178R98.7Very high97.7Very high6 Ų619.1 Ų19.12%0.02312%0.122CC..Hα-helixtrans-60.7-46.9179.2-177.2-179.759.478.92.3112.5L171 N174 R175 L180 A181 L183 Y189 L214L171-R178 PolarHBondContact O-NH2 3.43Å; L171-R178 VanDerWaalsContact O-NH2 3.14Å; N174-R178 WeakPolarHBondContact O-CB 3.39Å; N174-R178 PolarHBondContact O-N 3.39Å; R175-R178 PolarHBondContact O-N 3.15Å; R178-L180 PolarHBondContact O-N 3.08Å; R178-A181 PolarHBondContact O-N 3.07Å; R178-L183 HydrophobicContact CG-CD1 4.27Å; R178-L183 HydrophobicContact CG-CD2 4.19Å; R178-Y189 PolarHBondContact NH1-OH 3.38Å; R178-L214 HydrophobicContact CB-CD2 4.44Å
179M98.7Very high97.8Very high0 Ų016.2 Ų16.20%010%0.103CC..Hα-helixtrans-70.9-17.5-175.4-71.4-172.766.800113.8I19 H73 D75 L76 R175 T177I19-M179 HydrophobicContact CB-CE 4.46Å; I19-M179 HydrophobicContact CB-SD 4.21Å; I19-M179 HydrophobicContact CD1-CB 4.45Å; I19-M179 HydrophobicContact CG1-CB 4.2Å; I19-M179 HydrophobicContact CG1-CE 4Å; I19-M179 HydrophobicContact CG1-SD 4.07Å; I19-M179 HydrophobicContact CG2-SD 3.86Å; H73-M179 HydrophobicContact CB-CE 4.28Å; H73-M179 WeakPolarHBondContact O-CE 3.21Å; D75-M179 HydrophobicContact CB-CB 4.01Å; D75-M179 HydrophobicContact CB-CG 4.13Å; D75-M179 WeakPolarHBondContact CB-O 3.25Å; L76-M179 PolarHBondContact N-O 3.17Å; R175-M179 HydrophobicContact CG-CG 3.93Å; R175-M179 HydrophobicContact CG-SD 3.54Å; R175-M179 VanDerWaalsContact CG-SD 3.54Å; R175-M179 VanDerWaalsContact O-CB 3.28Å; R175-M179 WeakPolarHBondContact O-CB 3.1Å; R175-M179 VanDerWaalsContact O-CG 3.27Å; R175-M179 WeakPolarHBondContact O-CG 3.31Å; R175-M179 PolarHBondContact O-N 3.1Å; T177-M179 PolarHBondContact O-N 3.24Å
180L98.8Very high97.9Very high0 Ų019.7 Ų19.70%012%0.119CC..Hα-helixtrans-102.5-16.8-179.8-67-174.2000113.9I17 I19 T103 L105 Q176 T177 R178 A218 N221 L222 I226 L297I17-L180 HydrophobicContact CD1-CD2 4.25Å; I19-L180 HydrophobicContact CD1-CD1 4.3Å; I19-L180 HydrophobicContact CD1-CD2 3.85Å; I19-L180 HydrophobicContact CD1-CG 3.93Å; T103-L180 HydrophobicContact CG2-CD2 4.38Å; L105-L180 HydrophobicContact CD2-CD1 3.81Å; Q176-L180 VanDerWaalsContact O-CB 3.29Å; Q176-L180 WeakPolarHBondContact O-CB 3.23Å; Q176-L180 WeakPolarHBondContact O-CG 3.43Å; Q176-L180 PolarHBondContact O-N 3.26Å; T177-L180 PolarHBondContact O-N 3.28Å; R178-L180 PolarHBondContact O-N 3.08Å; L180-A218 HydrophobicContact CB-CB 4.09Å; L180-N221 VanDerWaalsContact O-CB 3.3Å; L180-N221 WeakPolarHBondContact O-CB 3.4Å; L180-N221 PolarHBondContact O-ND2 2.72Å; L180-L222 HydrophobicContact CD1-CD1 4.28Å; L180-L222 HydrophobicContact CD1-CD2 3.77Å; L180-L222 HydrophobicContact CD1-CG 4.01Å; L180-I226 HydrophobicContact CD2-CD1 3.39Å; L180-L297 HydrophobicContact CD1-CD2 4.22Å
181A98.7Very high98Very high0 Ų021.6 Ų21.60%013%0.128CC..SBendtrans-72.2157.6176.600000112T77 T177 R178 L183 L186 L214 A218T77-A181 PolarHBondContact OG1-O 3.01Å; T177-A181 WeakPolarHBondContact O-CB 3.39Å; T177-A181 PolarHBondContact O-N 2.88Å; R178-A181 PolarHBondContact O-N 3.07Å; A181-L183 HydrophobicContact CB-CD2 4.14Å; A181-L183 PolarHBondContact O-N 3.39Å; A181-L186 HydrophobicContact CB-CD1 4.06Å; A181-L214 HydrophobicContact CB-CD1 3.54Å; A181-L214 HydrophobicContact CB-CG 4.23Å; A181-A218 HydrophobicContact CB-CB 4.3Å
182N98.4Very high98.1Very high57 Ų5721.5 Ų21.531%0.30513%0.128SC..  trans-82.289.5166.8-177.93000109.6S184 S185 L186 S217 N221N182-S184 VanDerWaalsContact C-N 3.28Å; N182-S184 PolarHBondContact O-N 3.21Å; N182-S184 PolarHBondContact OD1-N 2.96Å; N182-S184 PolarHBondContact OD1-OG 3.06Å; N182-S185 PolarHBondContact O-N 3.48Å; N182-S185 PolarHBondContact O-OG 3.32Å; N182-L186 WeakPolarHBondContact O-CG 3.25Å; N182-S217 PolarHBondContact N-OG 3.45Å; N182-N221 PolarHBondContact N-ND2 3Å
183L98.5Very high98.1Very high0 Ų023.6 Ų23.60%014%0.14CC..SBendtrans-65.9-30.4-175.9-59.3-176.2000112.4D75 T77 R178 A181 S185 L186 G187 C188 Y189 W195 L214D75-L183 WeakPolarHBondContact OD2-CD1 3.45Å; T77-L183 HydrophobicContact CG2-CB 4.34Å; T77-L183 PolarHBondContact OG1-N 2.71Å; R178-L183 HydrophobicContact CG-CD1 4.27Å; R178-L183 HydrophobicContact CG-CD2 4.19Å; A181-L183 HydrophobicContact CB-CD2 4.14Å; A181-L183 PolarHBondContact O-N 3.39Å; L183-S185 VanDerWaalsContact C-N 3.25Å; L183-S185 PolarHBondContact O-N 2.85Å; L183-L186 CarbonylContact O-C 3.37Å; L183-L186 PolarHBondContact O-N 3.12Å; L183-G187 PolarHBondContact O-N 3.12Å; L183-C188 VanDerWaalsContact O-CA 3.3Å; L183-C188 WeakPolarHBondContact O-CA 3.48Å; L183-C188 PolarHBondContact O-N 3.05Å; L183-Y189 HydrophobicContact CD1-CE1 4.38Å; L183-Y189 HydrophobicContact CD1-CE2 3.92Å; L183-W195 HydrophobicContact CD2-CH2 3.98Å; L183-W195 HydrophobicContact CD2-CZ3 3.92Å; L183-L214 HydrophobicContact CD2-CD1 3.77Å
184S98.1Very high98.1Very high41 Ų4128.2 Ų28.229%0.28716%0.16SC..G310 helixtrans-57.6-40.7177.970.20000111.7C132 N133 N182 L186C132-S184 VanDerWaalsContact SG-CA 3.57Å; N133-S184 VanDerWaalsContact OD1-CB 3.32Å; N133-S184 WeakPolarHBondContact OD1-CB 3.27Å; N182-S184 VanDerWaalsContact C-N 3.28Å; N182-S184 PolarHBondContact O-N 3.21Å; N182-S184 PolarHBondContact OD1-N 2.96Å; N182-S184 PolarHBondContact OD1-OG 3.06Å; S184-L186 VanDerWaalsContact C-N 3.26Å; S184-L186 PolarHBondContact O-N 3.2Å
185S97.8Very high98Very high79 Ų7928.5 Ų28.555%0.55216%0.161SC*.G310 helixtrans-76.3-8.4177.168.20000114.7N182 L183N182-S185 PolarHBondContact O-N 3.48Å; N182-S185 PolarHBondContact O-OG 3.32Å; L183-S185 VanDerWaalsContact C-N 3.25Å; L183-S185 PolarHBondContact O-N 2.85Å
186L98.2Very high97.9Very high32 Ų3228.8 Ų28.817%0.16816%0.163CC..G310 helixtrans-113.415-174.5-62.9173.6000112.8A181 N182 L183 S184 W195 A213 L214A181-L186 HydrophobicContact CB-CD1 4.06Å; N182-L186 WeakPolarHBondContact O-CG 3.25Å; L183-L186 CarbonylContact O-C 3.37Å; L183-L186 PolarHBondContact O-N 3.12Å; S184-L186 VanDerWaalsContact C-N 3.26Å; S184-L186 PolarHBondContact O-N 3.2Å; L186-W195 HydrophobicContact CB-CH2 4.17Å; L186-W195 HydrophobicContact CB-CZ2 3.99Å; L186-A213 HydrophobicContact CD2-CB 3.88Å; L186-L214 HydrophobicContact CD1-CB 4.38Å; L186-L214 HydrophobicContact CD1-CD1 3.67Å
187G97.5Very high97.8Very high40 Ų4033.9 Ų33.941%0.41219%0.187SC..THydrogen-bonded Turntrans76.829.7-176.700000113.6L183 Y189 K190L183-G187 PolarHBondContact O-N 3.12Å; G187-Y189 PolarHBondContact O-N 3.4Å; G187-K190 WeakPolarHBondContact O-CB 3.43Å; G187-K190 PolarHBondContact O-N 2.67Å; G187-K190 VanDerWaalsContact O-N 3.1Å
188C97.5Very high97.7Very high22 Ų2237.6 Ų37.615%0.14921%0.211CC..THydrogen-bonded Turntrans53.7-118.1179.3-670000112.5C132 L183 W195C132-C188 HydrophobicContact CB-CB 3.57Å; C132-C188 WeakPolarHBondContact CB-SG 3.32Å; C132-C188 WeakPolarHBondContact SG-CA 3.34Å; C132-C188 WeakPolarHBondContact SG-CB 3.49Å; C132-C188 CovalentContact SG-SG 2.04Å; C132-C188 PolarHBondContact SG-SG 3.04Å; L183-C188 VanDerWaalsContact O-CA 3.3Å; L183-C188 WeakPolarHBondContact O-CA 3.48Å; L183-C188 PolarHBondContact O-N 3.05Å; C188-W195 WeakPolarHBondContact O-CH2 3.47Å; C188-W195 VanDerWaalsContact O-CZ3 3.25Å; C188-W195 WeakPolarHBondContact O-CZ3 3.46Å
189Y97.1Very high97.6Very high2 Ų238.1 Ų38.11%0.00821%0.214CC..THydrogen-bonded Turntrans-99.26-178-75.4-89.4000113.4D75 L130 C132 P137 R178 L183 G187 H191 L192D75-Y189 PolarHBondContact OD2-OH 3.3Å; L130-Y189 HydrophobicContact CB-CD2 4.4Å; L130-Y189 HydrophobicContact CB-CE1 4.35Å; L130-Y189 HydrophobicContact CB-CE2 3.78Å; L130-Y189 HydrophobicContact CD1-CE1 4.42Å; L130-Y189 HydrophobicContact CD2-CE1 4.31Å; L130-Y189 WeakPolarHBondContact O-CE2 3.46Å; C132-Y189 HydrophobicContact CB-CE2 4.45Å; P137-Y189 HydrophobicContact CB-CD2 4.15Å; P137-Y189 HydrophobicContact CB-CG 4.06Å; P137-Y189 HydrophobicContact CG-CD2 4.49Å; R178-Y189 PolarHBondContact NH1-OH 3.38Å; L183-Y189 HydrophobicContact CD1-CE1 4.38Å; L183-Y189 HydrophobicContact CD1-CE2 3.92Å; G187-Y189 PolarHBondContact O-N 3.4Å; Y189-H191 PolarHBondContact O-N 3.1Å; Y189-L192 HydrophobicContact CD1-CB 4.38Å; Y189-L192 HydrophobicContact CD1-CD1 4.28Å; Y189-L192 HydrophobicContact CD1-CD2 4.13Å; Y189-L192 HydrophobicContact CD1-CG 4.5Å; Y189-L192 VanDerWaalsContact O-CB 3.3Å; Y189-L192 WeakPolarHBondContact O-CB 3.4Å; Y189-L192 PolarHBondContact O-N 3.29Å
190K97.3Very high97.5Very high121 Ų12144.5 Ų44.553%0.52625%0.248SC..THydrogen-bonded Turntrans-52.4-31.8-179-177.7176.1-177.6176.10113.8G187G187-K190 WeakPolarHBondContact O-CB 3.43Å; G187-K190 PolarHBondContact O-N 2.67Å; G187-K190 VanDerWaalsContact O-N 3.1Å
191H97.5Very high97.3Very high45 Ų4545.7 Ų45.721%0.20826%0.255CS..THydrogen-bonded Turntrans-108.315.4-176.7-62-44.1000113.8Y189 T193 K194 W195 V210Y189-H191 PolarHBondContact O-N 3.1Å; H191-T193 VanDerWaalsContact C-N 3.32Å; H191-T193 PolarHBondContact O-N 3.35Å; H191-K194 WeakPolarHBondContact O-CB 3.43Å; H191-K194 PolarHBondContact O-N 2.83Å; H191-W195 HydrophobicContact CB-CD2 4.17Å; H191-W195 HydrophobicContact CB-CH2 4.45Å; H191-W195 HydrophobicContact CB-CZ2 3.78Å; H191-W195 VanDerWaalsContact O-CG 3.28Å; H191-W195 PolarHBondContact O-N 3.08Å; H191-V210 HydrophobicContact CB-CG1 3.61Å
192L97.9Very high97Very high2 Ų250.9 Ų50.91%0.0129%0.287CS..Hα-helixtrans-52.8-47.1-176.7178.462.9000112.6Y142 Y169 L171 Y189 K194 W195 S196Y142-L192 HydrophobicContact CD2-CD2 3.59Å; Y142-L192 HydrophobicContact CE2-CD2 4.45Å; Y142-L192 HydrophobicContact CG-CD2 4.36Å; Y169-L192 HydrophobicContact CD1-CD2 4.28Å; L171-L192 HydrophobicContact CD2-CD1 4.32Å; L171-L192 HydrophobicContact CD2-CD2 4.12Å; Y189-L192 HydrophobicContact CD1-CB 4.38Å; Y189-L192 HydrophobicContact CD1-CD1 4.28Å; Y189-L192 HydrophobicContact CD1-CD2 4.13Å; Y189-L192 HydrophobicContact CD1-CG 4.5Å; Y189-L192 VanDerWaalsContact O-CB 3.3Å; Y189-L192 WeakPolarHBondContact O-CB 3.4Å; Y189-L192 PolarHBondContact O-N 3.29Å; L192-K194 VanDerWaalsContact C-N 3.32Å; L192-K194 PolarHBondContact O-N 3.48Å; L192-W195 PolarHBondContact O-N 3.44Å; L192-S196 WeakPolarHBondContact O-CB 3.15Å; L192-S196 PolarHBondContact O-N 3.32Å; L192-S196 PolarHBondContact O-OG 2.67Å; L192-S196 VanDerWaalsContact O-OG 3.08Å
193T97Very high96.7Very high43 Ų4351.4 Ų51.426%0.26429%0.292SS..Hα-helixtrans-63-38.3179.855.20000112.2P168 Y169 H191 S196 Q197P168-T193 HydrophobicContact CB-CG2 4.16Å; Y169-T193 HydrophobicContact CD1-CG2 3.73Å; Y169-T193 HydrophobicContact CE1-CG2 3.36Å; H191-T193 VanDerWaalsContact C-N 3.32Å; H191-T193 PolarHBondContact O-N 3.35Å; T193-S196 PolarHBondContact O-N 2.63Å; T193-Q197 WeakPolarHBondContact O-CG 3.29Å; T193-Q197 PolarHBondContact O-N 2.03Å; T193-Q197 VanDerWaalsContact O-N 3.11Å
194K97.4Very high96.4Very high101 Ų10154.6 Ų54.644%0.43931%0.309SS..Hα-helixtrans-67.1-36.4175.1-60.8-174.5179.6-174.50112.1H191 L192 S196 V210 S211H191-K194 WeakPolarHBondContact O-CB 3.43Å; H191-K194 PolarHBondContact O-N 2.83Å; L192-K194 VanDerWaalsContact C-N 3.32Å; L192-K194 PolarHBondContact O-N 3.48Å; K194-S196 VanDerWaalsContact C-N 3.31Å; K194-V210 HydrophobicContact CB-CG1 4.47Å; K194-V210 HydrophobicContact CD-CG1 4.47Å; K194-S211 PolarHBondContact O-OG 2.82Å
195W97.7Very high96.1Very high6 Ų658 Ų582%0.02333%0.329CS..Hα-helixtrans-71.9-26175.7-60.2-28.4000113.3N174 L183 L186 C188 H191 L192 V210 L214N174-W195 PolarHBondContact ND2-O 2.81Å; L183-W195 HydrophobicContact CD2-CH2 3.98Å; L183-W195 HydrophobicContact CD2-CZ3 3.92Å; L186-W195 HydrophobicContact CB-CH2 4.17Å; L186-W195 HydrophobicContact CB-CZ2 3.99Å; C188-W195 WeakPolarHBondContact O-CH2 3.47Å; C188-W195 VanDerWaalsContact O-CZ3 3.25Å; C188-W195 WeakPolarHBondContact O-CZ3 3.46Å; H191-W195 HydrophobicContact CB-CD2 4.17Å; H191-W195 HydrophobicContact CB-CH2 4.45Å; H191-W195 HydrophobicContact CB-CZ2 3.78Å; H191-W195 VanDerWaalsContact O-CG 3.28Å; H191-W195 PolarHBondContact O-N 3.08Å; L192-W195 PolarHBondContact O-N 3.44Å; W195-V210 PolarHBondContact NE1-O 3.29Å; W195-L214 HydrophobicContact CB-CD2 3.94Å; W195-L214 HydrophobicContact CD2-CD1 4.09Å; W195-L214 HydrophobicContact CD2-CD2 3.84Å; W195-L214 HydrophobicContact CD2-CG 4.41Å; W195-L214 HydrophobicContact CE3-CD1 4.2Å; W195-L214 HydrophobicContact CE3-CD2 4.29Å; W195-L214 HydrophobicContact CG-CD2 3.69Å; W195-L214 HydrophobicContact CH2-CD1 4.09Å; W195-L214 HydrophobicContact CZ2-CD1 4Å; W195-L214 HydrophobicContact CZ3-CD1 4.2Å
196S96.5Very high96Very high6 Ų660.3 Ų60.34%0.04233%0.33CS..Hα-helixtrans-91.3-8.7179.1-62.30000113.8P168 L192 T193 K194 V290P168-S196 WeakPolarHBondContact O-CB 3.4Å; P168-S196 PolarHBondContact O-OG 3.38Å; L192-S196 WeakPolarHBondContact O-CB 3.15Å; L192-S196 PolarHBondContact O-N 3.32Å; L192-S196 PolarHBondContact O-OG 2.67Å; L192-S196 VanDerWaalsContact O-OG 3.08Å; T193-S196 PolarHBondContact O-N 2.63Å; K194-S196 VanDerWaalsContact C-N 3.31Å; S196-V290 WeakPolarHBondContact O-CG2 3.45Å
197Q95.7Very high95.9Very high109 Ų10959.3 Ų59.351%0.50933%0.325SS..SBendtrans-62.1134.3178.4-87.4172.6-13.300111.3T193 L199T193-Q197 WeakPolarHBondContact O-CG 3.29Å; T193-Q197 PolarHBondContact O-N 2.03Å; T193-Q197 VanDerWaalsContact O-N 3.11Å; Q197-L199 PolarHBondContact O-N 3.47Å
198P96.9Very high95.9Very high77 Ų7760.4 Ų60.450%0.533%0.325SS..  trans-59.9130.9173-24.133.8000112.3N289 V290P198-N289 WeakPolarHBondContact CA-O 3.19Å; P198-N289 HydrophobicContact CB-CB 3.93Å; P198-V290 HydrophobicContact CG-CB 4.29Å; P198-V290 HydrophobicContact CG-CG2 4.22Å
199L97Very high95.9Very high18 Ų1864 Ų649%0.09435%0.35CS..  trans-118.7112.5178.5-59.5176.2000110.8Q197 V201 I207 P208 N289 R292 L293Q197-L199 PolarHBondContact O-N 3.47Å; L199-V201 VanDerWaalsContact C-N 3.28Å; L199-V201 HydrophobicContact CB-CG2 4.06Å; L199-V201 PolarHBondContact O-N 2.99Å; L199-I207 HydrophobicContact CD1-CG2 4.34Å; L199-P208 HydrophobicContact CD2-CG 4.17Å; L199-N289 PolarHBondContact N-O 3.02Å; L199-N289 PolarHBondContact O-OD1 3.16Å; L199-R292 HydrophobicContact CB-CB 3.96Å; L199-R292 HydrophobicContact CB-CG 4.05Å; L199-R292 PolarHBondContact O-NE 3.44Å; L199-L293 HydrophobicContact CD1-CD2 4.15Å
200N96.1Very high95.9Very high134 Ų13465.7 Ų65.772%0.71736%0.36SS*.  trans-87.765.9171.3-171.215.9000110.8
201V95.2Very high96Very high24 Ų2460 Ų6015%0.14534%0.336CS..  trans-131.9140.7-179.7-58.90000110.7L199 H206 I207 R292 F296L199-V201 VanDerWaalsContact C-N 3.28Å; L199-V201 HydrophobicContact CB-CG2 4.06Å; L199-V201 PolarHBondContact O-N 2.99Å; V201-H206 HydrophobicContact CB-CB 4.09Å; V201-H206 HydrophobicContact CG1-CB 3.81Å; V201-I207 HydrophobicContact CG2-CG1 3.85Å; V201-R292 HydrophobicContact CG2-CG 4.07Å; V201-R292 WeakPolarHBondContact O-CD 3.05Å; V201-R292 VanDerWaalsContact O-CZ 3.28Å; V201-R292 PolarHBondContact O-NE 2.96Å; V201-R292 VanDerWaalsContact O-NE 3.16Å; V201-R292 PolarHBondContact O-NH1 3.45Å; V201-F296 HydrophobicContact CG2-CE2 4.38Å
202T91.1Very high96Very high109 Ų10960.2 Ų60.267%0.66934%0.338SS*.SBendtrans-106.9-17.8178.153.50000112.8
203V92.5Very high96.1Very high69 Ų6962.1 Ų62.142%0.41835%0.354SS..SBendtrans-115.7139.1-176.9-170.50000110.2T205 H206V203-T205 WeakPolarHBondContact CG1-OG1 3.11Å; V203-T205 PolarHBondContact O-N 3.31Å; V203-H206 PolarHBondContact O-N 2.77Å
204L91.6Very high96.1Very high66 Ų6660 Ų6035%0.34634%0.342SS..G310 helixtrans-59.3-30.9-178.3-68.7176000113.6H206 I207 L215 F296L204-H206 PolarHBondContact O-N 2.75Å; L204-I207 HydrophobicContact CD2-CD1 3.64Å; L204-I207 WeakPolarHBondContact O-CB 3.44Å; L204-I207 PolarHBondContact O-N 2.91Å; L204-L215 HydrophobicContact CD2-CD2 3.78Å; L204-F296 HydrophobicContact CD2-CB 4.2Å; L204-F296 HydrophobicContact CD2-CD1 3.68Å; L204-F296 HydrophobicContact CD2-CD2 4.08Å; L204-F296 HydrophobicContact CD2-CE1 3.98Å; L204-F296 HydrophobicContact CD2-CE2 4.35Å; L204-F296 HydrophobicContact CD2-CG 3.73Å; L204-F296 HydrophobicContact CD2-CZ 4.3Å; L204-F296 HydrophobicContact CG-CD1 4.39Å; L204-F296 HydrophobicContact CG-CE1 4.39Å
205T93.2Very high96.2Very high114 Ų11455.2 Ų55.270%0.69932%0.321SS*.G310 helixtrans-65.9-20.1-179.552.40000113.5V203V203-T205 WeakPolarHBondContact CG1-OG1 3.11Å; V203-T205 PolarHBondContact O-N 3.31Å
206H95.3Very high96.3Very high127 Ų12758.9 Ų58.959%0.58834%0.34SS*.G310 helixtrans-94.22.1178.6-58.6138.4000113.2V201 V203 L204V201-H206 HydrophobicContact CB-CB 4.09Å; V201-H206 HydrophobicContact CG1-CB 3.81Å; V203-H206 PolarHBondContact O-N 2.77Å; L204-H206 PolarHBondContact O-N 2.75Å
207I96.5Very high96.4Very high10 Ų1059.4 Ų59.45%0.05134%0.344CS..SBendtrans-79.7131.9178.3-60.9175.9000109.2L199 V201 L204 S209 L212 L215 L293 F296L199-I207 HydrophobicContact CD1-CG2 4.34Å; V201-I207 HydrophobicContact CG2-CG1 3.85Å; L204-I207 HydrophobicContact CD2-CD1 3.64Å; L204-I207 WeakPolarHBondContact O-CB 3.44Å; L204-I207 PolarHBondContact O-N 2.91Å; I207-S209 PolarHBondContact O-N 3.17Å; I207-L212 HydrophobicContact CB-CB 4.43Å; I207-L212 HydrophobicContact CG2-CB 4.03Å; I207-L215 HydrophobicContact CD1-CD2 4.23Å; I207-L293 HydrophobicContact CD1-CD2 4.31Å; I207-L293 HydrophobicContact CG2-CD2 4Å; I207-F296 HydrophobicContact CD1-CD2 3.64Å; I207-F296 HydrophobicContact CD1-CE2 3.52Å; I207-F296 HydrophobicContact CD1-CZ 4.32Å; I207-F296 HydrophobicContact CG1-CE2 4.22Å
208P97.5Very high96.5Very high63 Ų6354.2 Ų54.241%0.40932%0.32SS..  trans-53.2140.2172.5-26.734.6000112.2L199 V210 S211 L212L199-P208 HydrophobicContact CD2-CG 4.17Å; P208-V210 VanDerWaalsContact C-N 3.26Å; P208-V210 PolarHBondContact O-N 2.68Å; P208-V210 VanDerWaalsContact O-N 3.12Å; P208-S211 PolarHBondContact O-N 3.25Å; P208-L212 PolarHBondContact O-N 3.48Å
209S97.4Very high96.6Very high97 Ų9752.1 Ų52.168%0.67830%0.303SS*.Hα-helixtrans-52.1-40.9-173.857.90000113.9I207 S211 L212 A213I207-S209 PolarHBondContact O-N 3.17Å; S209-S211 VanDerWaalsContact C-N 3.35Å; S209-S211 PolarHBondContact O-N 3.46Å; S209-L212 PolarHBondContact O-N 2.88Å; S209-A213 WeakPolarHBondContact O-CB 3.29Å; S209-A213 PolarHBondContact O-N 3.06Å
210V97.8Very high96.7Very high38 Ų3856.4 Ų56.423%0.2332%0.323CS..Hα-helixtrans-63.1-38.4178.5174.90000112.4H191 K194 W195 P208 L214H191-V210 HydrophobicContact CB-CG1 3.61Å; K194-V210 HydrophobicContact CB-CG1 4.47Å; K194-V210 HydrophobicContact CD-CG1 4.47Å; W195-V210 PolarHBondContact NE1-O 3.29Å; P208-V210 VanDerWaalsContact C-N 3.26Å; P208-V210 PolarHBondContact O-N 2.68Å; P208-V210 VanDerWaalsContact O-N 3.12Å; V210-L214 PolarHBondContact O-N 3.02Å
211S98.2Very high96.8Very high2 Ų250.7 Ų50.71%0.01429%0.292CS..Hα-helixtrans-78.7-34.9177.7-64.80000111.6K194 P208 S209 A213 L214 L215K194-S211 PolarHBondContact O-OG 2.82Å; P208-S211 PolarHBondContact O-N 3.25Å; S209-S211 VanDerWaalsContact C-N 3.35Å; S209-S211 PolarHBondContact O-N 3.46Å; S211-A213 VanDerWaalsContact C-N 3.35Å; S211-L214 PolarHBondContact O-N 3.37Å; S211-L215 PolarHBondContact O-N 2.92Å
212L98.2Very high96.9Very high50 Ų5049.5 Ų49.526%0.26229%0.285SS..Hα-helixtrans-64.7-39173-176.760.6000111.5I207 P208 S209 L215 N216I207-L212 HydrophobicContact CB-CB 4.43Å; I207-L212 HydrophobicContact CG2-CB 4.03Å; P208-L212 PolarHBondContact O-N 3.48Å; S209-L212 PolarHBondContact O-N 2.88Å; L212-L215 PolarHBondContact O-N 3.46Å; L212-N216 WeakPolarHBondContact O-CB 3.42Å; L212-N216 VanDerWaalsContact O-CG 3.29Å; L212-N216 PolarHBondContact O-N 3.13Å; L212-N216 PolarHBondContact O-ND2 2.92Å
213A98.6Very high97.3Very high41 Ų4147 Ų4734%0.33927%0.269SS..Hα-helixtrans-61.7-43.4175.300000112.1L186 S209 S211 N216 S217L186-A213 HydrophobicContact CD2-CB 3.88Å; S209-A213 WeakPolarHBondContact O-CB 3.29Å; S209-A213 PolarHBondContact O-N 3.06Å; S211-A213 VanDerWaalsContact C-N 3.35Å; A213-N216 PolarHBondContact O-N 3.14Å; A213-S217 VanDerWaalsContact O-CB 3.32Å; A213-S217 WeakPolarHBondContact O-CB 3.46Å; A213-S217 PolarHBondContact O-N 2.91Å
214L98.8Very high97.5Very high0 Ų047.7 Ų47.70%027%0.271CS..Hα-helixtrans-59.5-48.8173.9-172.676.1000111.4T177 R178 A181 L183 L186 W195 V210 S211 S217 A218 L293T177-L214 HydrophobicContact CG2-CD2 4.09Å; T177-L214 HydrophobicContact CG2-CG 4Å; R178-L214 HydrophobicContact CB-CD2 4.44Å; A181-L214 HydrophobicContact CB-CD1 3.54Å; A181-L214 HydrophobicContact CB-CG 4.23Å; L183-L214 HydrophobicContact CD2-CD1 3.77Å; L186-L214 HydrophobicContact CD1-CB 4.38Å; L186-L214 HydrophobicContact CD1-CD1 3.67Å; W195-L214 HydrophobicContact CB-CD2 3.94Å; W195-L214 HydrophobicContact CD2-CD1 4.09Å; W195-L214 HydrophobicContact CD2-CD2 3.84Å; W195-L214 HydrophobicContact CD2-CG 4.41Å; W195-L214 HydrophobicContact CE3-CD1 4.2Å; W195-L214 HydrophobicContact CE3-CD2 4.29Å; W195-L214 HydrophobicContact CG-CD2 3.69Å; W195-L214 HydrophobicContact CH2-CD1 4.09Å; W195-L214 HydrophobicContact CZ2-CD1 4Å; W195-L214 HydrophobicContact CZ3-CD1 4.2Å; V210-L214 PolarHBondContact O-N 3.02Å; S211-L214 PolarHBondContact O-N 3.37Å; L214-S217 PolarHBondContact O-N 3.1Å; L214-A218 PolarHBondContact O-N 3.02Å; L214-L293 HydrophobicContact CD2-CD1 4.08Å
215L98.8Very high97.7Very high0 Ų048.2 Ų48.20%027%0.273CS..Hα-helixtrans-60.4-46.6178.8178.160.7000112.1T177 L204 I207 S211 L212 S217 A218 K219 F296 L297T177-L215 HydrophobicContact CG2-CB 4.31Å; T177-L215 HydrophobicContact CG2-CD1 4.17Å; L204-L215 HydrophobicContact CD2-CD2 3.78Å; I207-L215 HydrophobicContact CD1-CD2 4.23Å; S211-L215 PolarHBondContact O-N 2.92Å; L212-L215 PolarHBondContact O-N 3.46Å; L215-S217 VanDerWaalsContact C-N 3.35Å; L215-S217 PolarHBondContact O-N 3.39Å; L215-A218 PolarHBondContact O-N 3.32Å; L215-K219 HydrophobicContact CD1-CD 4.47Å; L215-K219 HydrophobicContact CD1-CG 4.38Å; L215-K219 HydrophobicContact CG-CD 4.36Å; L215-K219 WeakPolarHBondContact O-CG 3.37Å; L215-K219 PolarHBondContact O-N 3.06Å; L215-F296 HydrophobicContact CD1-CB 4.18Å; L215-F296 HydrophobicContact CD2-CB 3.7Å; L215-F296 HydrophobicContact CD2-CD2 4.48Å; L215-F296 HydrophobicContact CD2-CG 4.34Å; L215-L297 HydrophobicContact CD1-CB 3.81Å; L215-L297 HydrophobicContact CD1-CD1 4.27Å
216N98.6Very high97.9Very high82 Ų8242.8 Ų42.844%0.43924%0.24SC..Hα-helixtrans-65.5-38.8179.9-73.5-17.6000111.9L212 A213 K219 H220L212-N216 WeakPolarHBondContact O-CB 3.42Å; L212-N216 VanDerWaalsContact O-CG 3.29Å; L212-N216 PolarHBondContact O-N 3.13Å; L212-N216 PolarHBondContact O-ND2 2.92Å; A213-N216 PolarHBondContact O-N 3.14Å; N216-K219 PolarHBondContact O-N 3.46Å; N216-H220 WeakPolarHBondContact O-CB 3.46Å; N216-H220 PolarHBondContact O-N 3.34Å
217S98.8Very high97.6Very high18 Ų1840.6 Ų40.613%0.12623%0.232CC..Hα-helixtrans-61.2-46174-1720000111.8N182 A213 L214 L215 H220 N221N182-S217 PolarHBondContact N-OG 3.45Å; A213-S217 VanDerWaalsContact O-CB 3.32Å; A213-S217 WeakPolarHBondContact O-CB 3.46Å; A213-S217 PolarHBondContact O-N 2.91Å; L214-S217 PolarHBondContact O-N 3.1Å; L215-S217 VanDerWaalsContact C-N 3.35Å; L215-S217 PolarHBondContact O-N 3.39Å; S217-H220 WeakPolarHBondContact O-CB 3.42Å; S217-H220 PolarHBondContact O-N 3.22Å; S217-N221 PolarHBondContact O-N 3.39Å
218A98.8Very high97.5Very high0 Ų040.3 Ų40.30%023%0.231CC..Hα-helixtrans-63.4-42.7176.400000112.6T177 L180 A181 L214 L215 N221 L222 L297T177-A218 HydrophobicContact CG2-CB 3.84Å; T177-A218 WeakPolarHBondContact O-CB 2.98Å; L180-A218 HydrophobicContact CB-CB 4.09Å; A181-A218 HydrophobicContact CB-CB 4.3Å; L214-A218 PolarHBondContact O-N 3.02Å; L215-A218 PolarHBondContact O-N 3.32Å; A218-N221 PolarHBondContact O-N 3.47Å; A218-L222 PolarHBondContact O-N 3.45Å; A218-L297 HydrophobicContact CB-CD1 3.78Å; A218-L297 HydrophobicContact CB-CD2 4.31Å
219K98.7Very high97.5Very high32 Ų3237.4 Ų37.414%0.13921%0.212CC..Hα-helixtrans-60.7-46.1174.6-72.8-179177.3176.30111.4L215 N216 N221 L222 V223 L297 F300L215-K219 HydrophobicContact CD1-CD 4.47Å; L215-K219 HydrophobicContact CD1-CG 4.38Å; L215-K219 HydrophobicContact CG-CD 4.36Å; L215-K219 WeakPolarHBondContact O-CG 3.37Å; L215-K219 PolarHBondContact O-N 3.06Å; N216-K219 PolarHBondContact O-N 3.46Å; K219-N221 VanDerWaalsContact C-N 3.32Å; K219-N221 PolarHBondContact O-N 2.7Å; K219-L222 PolarHBondContact O-N 2.86Å; K219-V223 WeakPolarHBondContact O-CG2 3.18Å; K219-V223 PolarHBondContact O-N 3.32Å; K219-L297 HydrophobicContact CG-CD1 3.92Å; K219-F300 HydrophobicContact CB-CD1 4.09Å; K219-F300 HydrophobicContact CB-CE1 3.81Å; K219-F300 HydrophobicContact CB-CZ 4.17Å; K219-F300 HydrophobicContact CD-CB 4.37Å; K219-F300 HydrophobicContact CD-CD1 4.17Å; K219-F300 HydrophobicContact CD-CD2 4.12Å; K219-F300 HydrophobicContact CD-CE2 4.47Å; K219-F300 HydrophobicContact CD-CG 3.94Å; K219-F300 HydrophobicContact CG-CB 4.45Å; K219-F300 HydrophobicContact CG-CD1 3.61Å; K219-F300 HydrophobicContact CG-CD2 4.45Å; K219-F300 HydrophobicContact CG-CE1 3.88Å; K219-F300 HydrophobicContact CG-CG 3.91Å; K219-F300 HydrophobicContact CG-CZ 4.41Å
220H98.6Very high97.6Very high109 Ų10932.8 Ų32.851%0.50518%0.18SC..Hα-helixtrans-56.9-46.3176.8-179.893.7000111.4N216 S217 L222 V223 N224N216-H220 WeakPolarHBondContact O-CB 3.46Å; N216-H220 PolarHBondContact O-N 3.34Å; S217-H220 WeakPolarHBondContact O-CB 3.42Å; S217-H220 PolarHBondContact O-N 3.22Å; H220-L222 PolarHBondContact O-N 3.28Å; H220-V223 PolarHBondContact O-N 2.91Å; H220-V223 VanDerWaalsContact O-N 3.17Å; H220-N224 PolarHBondContact CE1-ND2 2.8Å; H220-N224 PolarHBondContact ND1-ND2 3.27Å; H220-N224 PolarHBondContact NE2-ND2 3.15Å; H220-N224 WeakPolarHBondContact O-CB 3.48Å; H220-N224 PolarHBondContact O-N 3.3Å; H220-N224 PolarHBondContact O-ND2 3.37Å
221N98.7Very high97.5Very high13 Ų1331 Ų317%0.0717%0.169CC..Hα-helixtrans-66.9-36.6179-72.5-19.6000112.7L76 L180 N182 S217 A218 K219 V223 I225 I226L76-N221 HydrophobicContact CD2-CB 3.86Å; L76-N221 WeakPolarHBondContact CD2-ND2 3.46Å; L180-N221 VanDerWaalsContact O-CB 3.3Å; L180-N221 WeakPolarHBondContact O-CB 3.4Å; L180-N221 PolarHBondContact O-ND2 2.72Å; N182-N221 PolarHBondContact N-ND2 3Å; S217-N221 PolarHBondContact O-N 3.39Å; A218-N221 PolarHBondContact O-N 3.47Å; K219-N221 VanDerWaalsContact C-N 3.32Å; K219-N221 PolarHBondContact O-N 2.7Å; N221-V223 VanDerWaalsContact C-N 3.28Å; N221-V223 PolarHBondContact O-N 3.26Å; N221-I225 HydrophobicContact CB-CB 4.38Å; N221-I225 HydrophobicContact CB-CG1 4.41Å; N221-I225 CarbonylContact O-C 3.53Å; N221-I225 WeakPolarHBondContact O-CA 3.13Å; N221-I225 WeakPolarHBondContact O-CB 3.29Å; N221-I225 PolarHBondContact O-N 2.82Å; N221-I226 PolarHBondContact O-N 3.3Å
222L98.2Very high97.3Very high0 Ų031.8 Ų31.80%017%0.174CC..Hα-helixtrans-62-35.6172.1-78.2178.6000112.7L105 L180 A218 K219 H220 I226 Y229 L297 F300 A301 L304 R308L105-L222 HydrophobicContact CD1-CD1 4.23Å; L105-L222 HydrophobicContact CD1-CD2 4.28Å; L180-L222 HydrophobicContact CD1-CD1 4.28Å; L180-L222 HydrophobicContact CD1-CD2 3.77Å; L180-L222 HydrophobicContact CD1-CG 4.01Å; A218-L222 PolarHBondContact O-N 3.45Å; K219-L222 PolarHBondContact O-N 2.86Å; H220-L222 PolarHBondContact O-N 3.28Å; L222-I226 HydrophobicContact CD2-CB 4.44Å; L222-I226 VanDerWaalsContact O-O 3.05Å; L222-Y229 HydrophobicContact CD2-CD1 3.91Å; L222-Y229 HydrophobicContact CD2-CE1 4.06Å; L222-Y229 HydrophobicContact CD2-CG 4.36Å; L222-L297 HydrophobicContact CD1-CD1 3.72Å; L222-L297 HydrophobicContact CD1-CG 4.16Å; L222-F300 HydrophobicContact CB-CE1 4.5Å; L222-A301 HydrophobicContact CD1-CB 3.89Å; L222-L304 HydrophobicContact CB-CD2 4.28Å; L222-R308 PolarHBondContact O-NH1 3.33Å; L222-R308 PolarHBondContact O-NH2 3.49Å
223V97.8Very high96.8Very high56 Ų5631.1 Ų31.134%0.33917%0.17SC..Hα-helixtrans-74.9-45.1179.2178.40000111.6K219 H220 N221 N227 F300 L304 R308K219-V223 WeakPolarHBondContact O-CG2 3.18Å; K219-V223 PolarHBondContact O-N 3.32Å; H220-V223 PolarHBondContact O-N 2.91Å; H220-V223 VanDerWaalsContact O-N 3.17Å; N221-V223 VanDerWaalsContact C-N 3.28Å; N221-V223 PolarHBondContact O-N 3.26Å; V223-N227 PolarHBondContact O-OD1 3.06Å; V223-N227 VanDerWaalsContact O-OD1 3.1Å; V223-F300 HydrophobicContact CG2-CE1 4.03Å; V223-F300 HydrophobicContact CG2-CZ 3.59Å; V223-L304 HydrophobicContact CG2-CD2 3.92Å; V223-R308 PolarHBondContact O-NH2 2.72Å
224N96.7Very high96.5Very high84 Ų8430 Ų3045%0.44916%0.157SC..Hα-helixtrans-109.3-29.2-163.6-62.7-42.3000115H220H220-N224 PolarHBondContact CE1-ND2 2.8Å; H220-N224 PolarHBondContact ND1-ND2 3.27Å; H220-N224 PolarHBondContact NE2-ND2 3.15Å; H220-N224 WeakPolarHBondContact O-CB 3.48Å; H220-N224 PolarHBondContact O-N 3.3Å; H220-N224 PolarHBondContact O-ND2 3.37Å
225I97.1Very high96.2Very high77 Ų7731.4 Ų31.440%0.39516%0.164SC..THydrogen-bonded Turntrans-107.4-42-172.4-54.2-58.2000111.2L76 Y101 N221 N227L76-I225 HydrophobicContact CD1-CG2 4.28Å; L76-I225 HydrophobicContact CD2-CG2 4.3Å; Y101-I225 HydrophobicContact CD2-CG2 4.27Å; N221-I225 HydrophobicContact CB-CB 4.38Å; N221-I225 HydrophobicContact CB-CG1 4.41Å; N221-I225 CarbonylContact O-C 3.53Å; N221-I225 WeakPolarHBondContact O-CA 3.13Å; N221-I225 WeakPolarHBondContact O-CB 3.29Å; N221-I225 PolarHBondContact O-N 2.82Å; I225-N227 PolarHBondContact O-N 3.16Å
226I97.1Very high95.9Very high0 Ų031.9 Ų31.90%017%0.167CC..  trans-106.970.5-176.1-51.2173.5000108.7I17 L76 T103 L180 N221 L222 C228 R308I17-I226 HydrophobicContact CD1-CD1 3.65Å; I17-I226 HydrophobicContact CD1-CG1 4.3Å; L76-I226 HydrophobicContact CD2-CD1 4.25Å; T103-I226 HydrophobicContact CG2-CG2 4.23Å; L180-I226 HydrophobicContact CD2-CD1 3.39Å; N221-I226 PolarHBondContact O-N 3.3Å; L222-I226 HydrophobicContact CD2-CB 4.44Å; L222-I226 VanDerWaalsContact O-O 3.05Å; I226-C228 PolarHBondContact O-N 3.38Å; I226-R308 PolarHBondContact O-NH1 3.25Å
227N88.3Confident95.7Very high81 Ų8128.1 Ų28.143%0.43315%0.146SC..  trans-65.9-24-178.7-67.7-19.2000112.5V223 I225 C245 R308V223-N227 PolarHBondContact O-OD1 3.06Å; V223-N227 VanDerWaalsContact O-OD1 3.1Å; I225-N227 PolarHBondContact O-N 3.16Å; N227-C245 VanDerWaalsContact C-SG 3.52Å; N227-C245 PolarHBondContact O-SG 3.16Å; N227-C245 VanDerWaalsContact O-SG 3.4Å; N227-R308 PolarHBondContact O-NH1 2.62Å
228C94.9Very high95.6Very high3 Ų327.2 Ų27.22%0.0214%0.14CC..EExtended strand (participates in β ladder)trans-114.4112.1-178.8-44.80000110.2F102 T103 I226 L242 C245 L246F102-C228 WeakPolarHBondContact CA-O 3.44Å; F102-C228 HydrophobicContact CB-CB 3.95Å; F102-C228 WeakPolarHBondContact CB-O 3.12Å; T103-C228 PolarHBondContact N-O 2.78Å; I226-C228 PolarHBondContact O-N 3.38Å; C228-L242 HydrophobicContact CB-CD2 4.31Å; C228-C245 WeakPolarHBondContact CA-SG 3.32Å; C228-C245 HydrophobicContact CB-CB 3.7Å; C228-C245 WeakPolarHBondContact CB-SG 3.01Å; C228-C245 WeakPolarHBondContact SG-CB 3.46Å; C228-C245 CovalentContact SG-SG 2.02Å; C228-C245 PolarHBondContact SG-SG 3.2Å; C228-L246 HydrophobicContact CB-CD2 3.72Å; C228-L246 HydrophobicContact CB-CG 4.06Å; C228-L246 WeakPolarHBondContact SG-CD2 3.33Å
229Y98.5Very high95.5Very high3 Ų327.3 Ų27.31%0.01214%0.141CC..EExtended strand (participates in β ladder)trans-145.7157.2167.166.4-90000110.8T103 L105 L222 L231 A301 L304 F305T103-Y229 WeakPolarHBondContact O-CA 3.31Å; T103-Y229 WeakPolarHBondContact O-CB 3.42Å; L105-Y229 HydrophobicContact CD1-CD2 3.93Å; L105-Y229 HydrophobicContact CD1-CE2 4.07Å; L105-Y229 HydrophobicContact CG-CD2 4.28Å; L222-Y229 HydrophobicContact CD2-CD1 3.91Å; L222-Y229 HydrophobicContact CD2-CE1 4.06Å; L222-Y229 HydrophobicContact CD2-CG 4.36Å; Y229-L231 HydrophobicContact CD2-CD2 4.25Å; Y229-L231 HydrophobicContact CE2-CD2 4.03Å; Y229-A301 HydrophobicContact CE2-CB 4.11Å; Y229-A301 PolarHBondContact OH-O 3.05Å; Y229-L304 HydrophobicContact CE1-CD2 4.19Å; Y229-L304 WeakPolarHBondContact OH-CB 3.34Å; Y229-F305 HydrophobicContact CD2-CD2 4.37Å; Y229-F305 HydrophobicContact CE2-CB 3.98Å; Y229-F305 HydrophobicContact CE2-CD2 4.02Å; Y229-F305 HydrophobicContact CE2-CG 4.48Å; Y229-F305 PolarHBondContact OH-N 3.01Å; Y229-F305 VanDerWaalsContact OH-N 3.15Å
230G97.8Very high95.4Very high0 Ų026 Ų260%014%0.135CC..EExtended strand (participates in β ladder)trans-112.1167.8172.300000112.3T103 L104 L105 S238T103-G230 PolarHBondContact O-N 3.11Å; L104-G230 WeakPolarHBondContact CA-O 3.47Å; L104-G230 VanDerWaalsContact CD2-CA 3.48Å; L105-G230 PolarHBondContact N-O 3.2Å; G230-S238 WeakPolarHBondContact CA-OG 3.45Å
231L96.4Very high95.3Very high0 Ų021 Ų210%011%0.111CC..EExtended strand (participates in β ladder)trans-116.2128.1172.4-57.3-179.2000109L105 Y229 E233 Y234 S238 Y298 K302 F305L105-L231 HydrophobicContact CB-CD2 3.9Å; L105-L231 HydrophobicContact CD1-CD2 4.44Å; Y229-L231 HydrophobicContact CD2-CD2 4.25Å; Y229-L231 HydrophobicContact CE2-CD2 4.03Å; L231-E233 PolarHBondContact O-N 3.16Å; L231-Y234 HydrophobicContact CB-CD2 3.84Å; L231-Y234 HydrophobicContact CD1-CD2 3.73Å; L231-Y234 HydrophobicContact CD1-CE2 4.21Å; L231-Y234 HydrophobicContact CG-CD2 4.44Å; L231-Y234 CarbonylContact O-C 3.54Å; L231-Y234 PolarHBondContact O-N 3.33Å; L231-S238 PolarHBondContact N-OG 3.27Å; L231-S238 PolarHBondContact O-OG 3.2Å; L231-Y298 HydrophobicContact CD2-CE2 3.85Å; L231-K302 HydrophobicContact CD1-CB 4.44Å; L231-K302 HydrophobicContact CD1-CG 4.25Å; L231-F305 HydrophobicContact CD1-CB 3.95Å; L231-F305 HydrophobicContact CD1-CD1 3.74Å; L231-F305 HydrophobicContact CD1-CD2 4.2Å; L231-F305 HydrophobicContact CD1-CE1 4.27Å; L231-F305 HydrophobicContact CD1-CG 3.7Å; L231-F305 HydrophobicContact CG-CB 4.41Å; L231-F305 HydrophobicContact CG-CD1 4.31Å; L231-F305 HydrophobicContact CG-CD2 3.93Å; L231-F305 HydrophobicContact CG-CE2 4.23Å; L231-F305 HydrophobicContact CG-CG 3.97Å
232S93Very high95.3Very high19 Ų1920.3 Ų20.313%0.13311%0.108CC..THydrogen-bonded Turntrans-61.6-27-176.5-60.50000112.9T22 L105 Y234 L235T22-S232 PolarHBondContact O-OG 2.8Å; L105-S232 WeakPolarHBondContact O-CB 3.12Å; L105-S232 PolarHBondContact O-N 3.16Å; L105-S232 PolarHBondContact O-OG 3.31Å; S232-Y234 VanDerWaalsContact C-N 3.26Å; S232-L235 WeakPolarHBondContact O-CG 3.46Å
233E89.2Confident95.2Very high35 Ų3521.1 Ų21.116%0.16411%0.112CC..THydrogen-bonded Turntrans-75.6-17.6177.8-68.164-149.200111.8R106 D107 L231 Y298 I353R106-E233 WeakPolarHBondContact CA-OE2 3.3Å; R106-E233 WeakPolarHBondContact CG-OE1 3.22Å; D107-E233 HydrophobicContact CB-CG 4.38Å; D107-E233 VanDerWaalsContact CB-OE1 3.22Å; D107-E233 WeakPolarHBondContact CB-OE1 3.17Å; D107-E233 VanDerWaalsContact N-CD 3.29Å; D107-E233 PolarHBondContact N-OE1 3.47Å; D107-E233 PolarHBondContact N-OE2 2.83Å; L231-E233 PolarHBondContact O-N 3.16Å; E233-Y298 PolarHBondContact OE2-OH 3.04Å; E233-I353 WeakPolarHBondContact O-CD1 3.15Å
234Y91.4Very high95.1Very high18 Ų1820.9 Ų20.97%0.07111%0.106CC..  trans-133.455.5-170.9-56.1-65.8000110.9L231 S232 I236 Y237 S238 K302 L348L231-Y234 HydrophobicContact CB-CD2 3.84Å; L231-Y234 HydrophobicContact CD1-CD2 3.73Å; L231-Y234 HydrophobicContact CD1-CE2 4.21Å; L231-Y234 HydrophobicContact CG-CD2 4.44Å; L231-Y234 CarbonylContact O-C 3.54Å; L231-Y234 PolarHBondContact O-N 3.33Å; S232-Y234 VanDerWaalsContact C-N 3.26Å; Y234-I236 VanDerWaalsContact C-N 3.32Å; Y234-I236 PolarHBondContact O-N 3.26Å; Y234-Y237 PolarHBondContact O-N 2.99Å; Y234-S238 WeakPolarHBondContact O-CB 3.5Å; Y234-S238 PolarHBondContact O-N 2.8Å; Y234-S238 PolarHBondContact O-OG 3.25Å; Y234-K302 VanDerWaalsContact OH-CE 3.25Å; Y234-K302 WeakPolarHBondContact OH-CE 3.09Å; Y234-K302 PolarHBondContact OH-NZ 2.79Å; Y234-L348 HydrophobicContact CD1-CB 4.36Å; Y234-L348 HydrophobicContact CD1-CD2 3.83Å; Y234-L348 HydrophobicContact CD2-CD1 4.47Å; Y234-L348 HydrophobicContact CD2-CD2 4.35Å; Y234-L348 HydrophobicContact CE1-CB 3.68Å; Y234-L348 HydrophobicContact CE1-CD1 4.48Å; Y234-L348 HydrophobicContact CE1-CD2 4.01Å; Y234-L348 HydrophobicContact CE1-CG 4.27Å; Y234-L348 HydrophobicContact CE2-CD1 4.02Å; Y234-L348 HydrophobicContact CG-CD2 4.02Å
235L91.8Very high95Very high30 Ų3017.8 Ų17.816%0.1579%0.091CC..Hα-helixtrans-62-31.9-170.2-70.2175000114.6L26 S232 S238 Q239 F254 V255L26-L235 HydrophobicContact CD2-CD1 3.77Å; L26-L235 HydrophobicContact CD2-CD2 4.29Å; S232-L235 WeakPolarHBondContact O-CG 3.46Å; L235-S238 PolarHBondContact O-N 3.2Å; L235-Q239 WeakPolarHBondContact O-CB 3.5Å; L235-Q239 PolarHBondContact O-N 3.15Å; L235-F254 HydrophobicContact CB-CB 4.08Å; L235-F254 HydrophobicContact CB-CD2 4.39Å; L235-F254 HydrophobicContact CD2-CD2 4.18Å; L235-V255 HydrophobicContact CB-CG1 3.74Å; L235-V255 HydrophobicContact CD1-CG1 3.57Å; L235-V255 HydrophobicContact CG-CG1 4.3Å
236I92.8Very high95Very high9 Ų914.7 Ų14.75%0.0468%0.075CC..Hα-helixtrans-65.6-51.5176.6-62.1173.9000110Y234 S238 Q239 Y240 V255 F257 N370 L373 F377Y234-I236 VanDerWaalsContact C-N 3.32Å; Y234-I236 PolarHBondContact O-N 3.26Å; I236-S238 VanDerWaalsContact C-N 3.26Å; I236-S238 PolarHBondContact O-N 3.34Å; I236-Q239 PolarHBondContact O-N 3.39Å; I236-Y240 PolarHBondContact O-N 3.4Å; I236-V255 HydrophobicContact CD1-CG2 3.67Å; I236-V255 HydrophobicContact CG1-CG2 3.2Å; I236-F257 HydrophobicContact CD1-CB 3.79Å; I236-F257 HydrophobicContact CD1-CD2 3.41Å; I236-F257 VanDerWaalsContact CD1-CD2 3.41Å; I236-F257 HydrophobicContact CD1-CE2 4.17Å; I236-F257 HydrophobicContact CD1-CG 3.74Å; I236-N370 WeakPolarHBondContact CB-OD1 3.22Å; I236-N370 HydrophobicContact CD1-CB 3.79Å; I236-N370 WeakPolarHBondContact CD1-OD1 3.35Å; I236-L373 HydrophobicContact CG2-CB 3.8Å; I236-L373 HydrophobicContact CG2-CD1 4.14Å; I236-F377 HydrophobicContact CG2-CE2 3.96Å; I236-F377 HydrophobicContact CG2-CZ 4.34Å; I236-F377 WeakPolarHBondContact O-CZ 3.38Å
237Y95.5Very high94.9Very high3 Ų322.6 Ų22.61%0.01211%0.112CC..Hα-helixtrans-64-34.4175.5-61.4-46.5000112.3Y234 Y240 I241 L309 L347 L348 F369 N370 L373Y234-Y237 PolarHBondContact O-N 2.99Å; Y237-Y240 WeakPolarHBondContact O-CB 3.44Å; Y237-Y240 PolarHBondContact O-N 2.84Å; Y237-I241 PolarHBondContact O-N 3.22Å; Y237-L309 HydrophobicContact CD1-CD1 4.33Å; Y237-L309 HydrophobicContact CD1-CD2 3.82Å; Y237-L309 HydrophobicContact CD2-CD2 4.27Å; Y237-L309 HydrophobicContact CE1-CD2 4.41Å; Y237-L309 HydrophobicContact CG-CD2 3.75Å; Y237-L347 HydrophobicContact CE1-CD2 4.42Å; Y237-L347 HydrophobicContact CE2-CB 4.49Å; Y237-L347 WeakPolarHBondContact CE2-O 3.4Å; Y237-L347 VanDerWaalsContact CZ-O 3.31Å; Y237-L347 PolarHBondContact OH-O 3.32Å; Y237-L348 HydrophobicContact CD2-CD2 3.67Å; Y237-L348 HydrophobicContact CE2-CD2 3.73Å; Y237-F369 AromaticContact CE1-CD1 3.66Å; Y237-F369 HydrophobicContact CE1-CD1 3.66Å; Y237-F369 AromaticContact CE1-CE1 3.7Å; Y237-F369 HydrophobicContact CE1-CE1 3.7Å; Y237-N370 PolarHBondContact OH-ND2 2.83Å; Y237-N370 VanDerWaalsContact OH-ND2 3.08Å; Y237-L373 HydrophobicContact CD1-CD1 3.59Å; Y237-L373 HydrophobicContact CE1-CD1 3.64Å
238S96.4Very high95.2Very high0 Ų019.2 Ų19.20%09%0.093CC..Hα-helixtrans-65.4-44.9176-61.40000111.7G230 L231 Y234 L235 I236 Y240 I241 L242G230-S238 WeakPolarHBondContact CA-OG 3.45Å; L231-S238 PolarHBondContact N-OG 3.27Å; L231-S238 PolarHBondContact O-OG 3.2Å; Y234-S238 WeakPolarHBondContact O-CB 3.5Å; Y234-S238 PolarHBondContact O-N 2.8Å; Y234-S238 PolarHBondContact O-OG 3.25Å; L235-S238 PolarHBondContact O-N 3.2Å; I236-S238 VanDerWaalsContact C-N 3.26Å; I236-S238 PolarHBondContact O-N 3.34Å; S238-Y240 VanDerWaalsContact C-N 3.3Å; S238-Y240 PolarHBondContact O-N 3.16Å; S238-I241 PolarHBondContact O-N 3.45Å; S238-L242 VanDerWaalsContact O-CB 3.25Å; S238-L242 WeakPolarHBondContact O-CB 3.35Å; S238-L242 WeakPolarHBondContact O-CG 3.32Å; S238-L242 PolarHBondContact O-N 2.84Å
239Q96.1Very high95.2Very high2 Ų220.9 Ų20.91%0.00910%0.103CC..Hα-helixtrans-58.4-46172.7-176.8178.6-19.800110.2L235 I236 L242 Q243 F250 F254 F377L235-Q239 WeakPolarHBondContact O-CB 3.5Å; L235-Q239 PolarHBondContact O-N 3.15Å; I236-Q239 PolarHBondContact O-N 3.39Å; Q239-L242 PolarHBondContact O-N 3.13Å; Q239-Q243 HydrophobicContact CG-CG 4.36Å; Q239-Q243 WeakPolarHBondContact O-CB 2.94Å; Q239-Q243 WeakPolarHBondContact O-CG 3.08Å; Q239-Q243 PolarHBondContact O-N 3.25Å; Q239-F250 HydrophobicContact CG-CD2 3.9Å; Q239-F250 HydrophobicContact CG-CE2 4.48Å; Q239-F254 HydrophobicContact CB-CD1 4.28Å; Q239-F254 HydrophobicContact CB-CD2 3.87Å; Q239-F254 HydrophobicContact CB-CE1 4.45Å; Q239-F254 HydrophobicContact CB-CE2 4.04Å; Q239-F254 HydrophobicContact CB-CG 4Å; Q239-F254 HydrophobicContact CB-CZ 4.32Å; Q239-F254 HydrophobicContact CG-CD1 4.22Å; Q239-F254 HydrophobicContact CG-CE1 4.25Å; Q239-F254 HydrophobicContact CG-CG 4.43Å; Q239-F254 HydrophobicContact CG-CZ 4.45Å; Q239-F377 HydrophobicContact CB-CE2 4.08Å; Q239-F377 HydrophobicContact CB-CZ 4.1Å; Q239-F377 HydrophobicContact CG-CD2 4.38Å; Q239-F377 HydrophobicContact CG-CE1 4.47Å; Q239-F377 HydrophobicContact CG-CE2 4.07Å; Q239-F377 HydrophobicContact CG-CZ 4.13Å
240Y97.4Very high95.1Very high4 Ų420.7 Ų20.72%0.01610%0.103CC..Hα-helixtrans-57.3-54.8178.1-178.2-94.6000112.3I236 Y237 S238 L242 Q243 K244 L309 L313 D316 I319 L373 F377I236-Y240 PolarHBondContact O-N 3.4Å; Y237-Y240 WeakPolarHBondContact O-CB 3.44Å; Y237-Y240 PolarHBondContact O-N 2.84Å; S238-Y240 VanDerWaalsContact C-N 3.3Å; S238-Y240 PolarHBondContact O-N 3.16Å; Y240-L242 PolarHBondContact O-N 3Å; Y240-Q243 PolarHBondContact O-N 3.2Å; Y240-K244 HydrophobicContact CD1-CG 4.36Å; Y240-K244 HydrophobicContact CE1-CG 3.95Å; Y240-K244 HydrophobicContact CE2-CG 4.37Å; Y240-K244 WeakPolarHBondContact O-CG 3.17Å; Y240-K244 PolarHBondContact O-N 2.92Å; Y240-K244 WeakPolarHBondContact OH-CE 3.47Å; Y240-L309 HydrophobicContact CD1-CD1 3.7Å; Y240-L309 HydrophobicContact CE1-CD1 4.19Å; Y240-L313 HydrophobicContact CD1-CD2 4.2Å; Y240-L313 HydrophobicContact CE1-CD2 3.52Å; Y240-L313 HydrophobicContact CE1-CG 4.12Å; Y240-L313 HydrophobicContact CE2-CD2 4.17Å; Y240-D316 VanDerWaalsContact OH-CB 3.26Å; Y240-D316 WeakPolarHBondContact OH-CB 3.17Å; Y240-D316 PolarHBondContact OH-OD2 2.97Å; Y240-I319 HydrophobicContact CE2-CD1 4.19Å; Y240-L373 HydrophobicContact CD2-CD2 3.83Å; Y240-L373 HydrophobicContact CE2-CD2 4.13Å; Y240-L373 HydrophobicContact CG-CD2 4.5Å; Y240-F377 HydrophobicContact CD2-CE1 4.07Å
241I97.1Very high94.9Very high3 Ų324.2 Ų24.22%0.01512%0.118CC..Hα-helixtrans-62.6-45.2-179.1-75.6174.4000111.2Y237 S238 Q243 K244 C245 F305 L309 Y312Y237-I241 PolarHBondContact O-N 3.22Å; S238-I241 PolarHBondContact O-N 3.45Å; I241-Q243 VanDerWaalsContact C-N 3.3Å; I241-Q243 PolarHBondContact O-N 3.48Å; I241-K244 PolarHBondContact O-N 2.78Å; I241-C245 HydrophobicContact CG2-CB 4.45Å; I241-C245 WeakPolarHBondContact O-CB 3.01Å; I241-C245 PolarHBondContact O-N 3.27Å; I241-F305 HydrophobicContact CB-CE2 4.45Å; I241-F305 HydrophobicContact CD1-CD1 4.32Å; I241-F305 HydrophobicContact CD1-CD2 3.68Å; I241-F305 HydrophobicContact CD1-CE1 4.02Å; I241-F305 HydrophobicContact CD1-CE2 3.32Å; I241-F305 HydrophobicContact CD1-CG 4.18Å; I241-F305 HydrophobicContact CD1-CZ 3.51Å; I241-F305 HydrophobicContact CG1-CE2 4.37Å; I241-F305 HydrophobicContact CG1-CZ 4.5Å; I241-L309 HydrophobicContact CD1-CB 3.57Å; I241-L309 HydrophobicContact CD1-CD1 3.93Å; I241-L309 HydrophobicContact CD1-CG 4.26Å; I241-L309 HydrophobicContact CG1-CB 4.28Å; I241-L309 HydrophobicContact CG1-CD1 3.83Å; I241-Y312 HydrophobicContact CG1-CD2 4.29Å; I241-Y312 HydrophobicContact CG2-CE2 4.38Å
242L97.5Very high94.7Very high0 Ų026.7 Ų26.70%013%0.127CC..Hα-helixtrans-61.7-40.6-179.6-71.8176.5000111.3L27 F102 L104 C228 S238 Q239 Y240 L246 F250 F254L27-L242 HydrophobicContact CD1-CD1 3.99Å; L27-L242 HydrophobicContact CD2-CD1 4.27Å; F102-L242 HydrophobicContact CD2-CD2 4.13Å; L104-L242 HydrophobicContact CD2-CD1 4.19Å; C228-L242 HydrophobicContact CB-CD2 4.31Å; S238-L242 VanDerWaalsContact O-CB 3.25Å; S238-L242 WeakPolarHBondContact O-CB 3.35Å; S238-L242 WeakPolarHBondContact O-CG 3.32Å; S238-L242 PolarHBondContact O-N 2.84Å; Q239-L242 PolarHBondContact O-N 3.13Å; Y240-L242 PolarHBondContact O-N 3Å; L242-L246 HydrophobicContact CB-CD1 4.39Å; L242-L246 HydrophobicContact CD2-CD1 4.13Å; L242-L246 WeakPolarHBondContact O-CB 3.41Å; L242-L246 WeakPolarHBondContact O-CG 3.2Å; L242-L246 PolarHBondContact O-N 3.46Å; L242-F250 HydrophobicContact CB-CE2 4.09Å; L242-F250 HydrophobicContact CB-CZ 4.46Å; L242-F254 HydrophobicContact CD1-CE2 4.12Å; L242-F254 HydrophobicContact CD1-CZ 4.27Å
243Q96.5Very high94.6Very high17 Ų1725.8 Ų25.88%0.07912%0.121CC..Hα-helixtrans-63.4-41.4175.3-73.6-179.1173.900112.4Q239 Y240 I241 H247 I248 F250Q239-Q243 HydrophobicContact CG-CG 4.36Å; Q239-Q243 WeakPolarHBondContact O-CB 2.94Å; Q239-Q243 WeakPolarHBondContact O-CG 3.08Å; Q239-Q243 PolarHBondContact O-N 3.25Å; Y240-Q243 PolarHBondContact O-N 3.2Å; I241-Q243 VanDerWaalsContact C-N 3.3Å; I241-Q243 PolarHBondContact O-N 3.48Å; Q243-H247 WeakPolarHBondContact O-CA 3.37Å; Q243-H247 PolarHBondContact O-N 3.2Å; Q243-H247 VanDerWaalsContact O-N 3.14Å; Q243-I248 CarbonylContact C-O 3.58Å; Q243-I248 WeakPolarHBondContact CA-O 3.22Å; Q243-I248 WeakPolarHBondContact CB-O 3.31Å; Q243-I248 VanDerWaalsContact CG-O 3.24Å; Q243-I248 WeakPolarHBondContact CG-O 3.41Å; Q243-I248 PolarHBondContact O-N 3.06Å; Q243-I248 VanDerWaalsContact O-N 3.12Å; Q243-F250 HydrophobicContact CG-CD2 3.58Å; Q243-F250 HydrophobicContact CG-CE2 3.95Å
244K95.7Very high94.5Very high51 Ų5124.5 Ų24.522%0.22212%0.115CC..Hα-helixtrans-70.2-48.2179.2-69.9-63.9-175.3167.20112.9Y240 I241 H247 Y312 D316Y240-K244 HydrophobicContact CD1-CG 4.36Å; Y240-K244 HydrophobicContact CE1-CG 3.95Å; Y240-K244 HydrophobicContact CE2-CG 4.37Å; Y240-K244 WeakPolarHBondContact O-CG 3.17Å; Y240-K244 PolarHBondContact O-N 2.92Å; Y240-K244 WeakPolarHBondContact OH-CE 3.47Å; I241-K244 PolarHBondContact O-N 2.78Å; K244-H247 PolarHBondContact O-CE1 2.83Å; K244-H247 PolarHBondContact O-ND1 2.81Å; K244-Y312 HydrophobicContact CB-CD1 3.79Å; K244-Y312 HydrophobicContact CB-CD2 4.41Å; K244-Y312 HydrophobicContact CB-CE1 3.88Å; K244-Y312 HydrophobicContact CB-CE2 4.49Å; K244-Y312 HydrophobicContact CB-CG 4.07Å; K244-Y312 HydrophobicContact CG-CD1 4.31Å; K244-Y312 HydrophobicContact CG-CG 4.42Å; K244-D316 WeakPolarHBondContact CE-OD2 3.47Å; K244-D316 IonicContact NZ-OD1 2.88Å; K244-D316 PolarHBondContact NZ-OD1 3.01Å; K244-D316 VanDerWaalsContact NZ-OD1 3.15Å; K244-D316 IonicContact NZ-OD2 3Å; K244-D316 PolarHBondContact NZ-OD2 3.26Å
245C95.6Very high94Very high18 Ų1825 Ų2512%0.12212%0.12CC..Hα-helixtrans-74.8-34.7-173.5-170.60000112.6N227 C228 I241 Y312N227-C245 VanDerWaalsContact C-SG 3.52Å; N227-C245 PolarHBondContact O-SG 3.16Å; N227-C245 VanDerWaalsContact O-SG 3.4Å; C228-C245 WeakPolarHBondContact CA-SG 3.32Å; C228-C245 HydrophobicContact CB-CB 3.7Å; C228-C245 WeakPolarHBondContact CB-SG 3.01Å; C228-C245 WeakPolarHBondContact SG-CB 3.46Å; C228-C245 CovalentContact SG-SG 2.02Å; C228-C245 PolarHBondContact SG-SG 3.2Å; I241-C245 HydrophobicContact CG2-CB 4.45Å; I241-C245 WeakPolarHBondContact O-CB 3.01Å; I241-C245 PolarHBondContact O-N 3.27Å; C245-Y312 WeakPolarHBondContact CA-OH 3.01Å; C245-Y312 HydrophobicContact CB-CE2 4.41Å; C245-Y312 WeakPolarHBondContact CB-OH 3.25Å
246L96Very high93.1Very high12 Ų1224 Ų246%0.06312%0.115CC..Hα-helixtrans-93.7-3.9178.5-55.3173.3000113.2L14 T100 F102 C228 L242 I248L14-L246 HydrophobicContact CD1-CB 4.49Å; L14-L246 HydrophobicContact CD2-CD2 4.11Å; T100-L246 HydrophobicContact CG2-CD2 3.74Å; F102-L246 HydrophobicContact CB-CD1 4.41Å; F102-L246 HydrophobicContact CB-CD2 4.16Å; F102-L246 HydrophobicContact CD1-CD1 4.27Å; F102-L246 HydrophobicContact CD1-CD2 4.29Å; F102-L246 HydrophobicContact CD2-CD1 3.83Å; F102-L246 HydrophobicContact CE2-CD1 4.1Å; F102-L246 HydrophobicContact CG-CD1 3.92Å; F102-L246 HydrophobicContact CG-CD2 4.24Å; F102-L246 HydrophobicContact CZ-CD1 4.46Å; C228-L246 HydrophobicContact CB-CD2 3.72Å; C228-L246 HydrophobicContact CB-CG 4.06Å; C228-L246 WeakPolarHBondContact SG-CD2 3.33Å; L242-L246 HydrophobicContact CB-CD1 4.39Å; L242-L246 HydrophobicContact CD2-CD1 4.13Å; L242-L246 WeakPolarHBondContact O-CB 3.41Å; L242-L246 WeakPolarHBondContact O-CG 3.2Å; L242-L246 PolarHBondContact O-N 3.46Å; L246-I248 VanDerWaalsContact C-N 3.33Å; L246-I248 HydrophobicContact CB-CD1 3.95Å; L246-I248 HydrophobicContact CB-CG1 3.98Å; L246-I248 HydrophobicContact CB-CG2 4.33Å; L246-I248 HydrophobicContact CD1-CD1 3.83Å; L246-I248 PolarHBondContact O-N 3.44Å
247H94.2Very high91.8Very high166 Ų16624.2 Ų24.277%0.76912%0.115SC*.THydrogen-bonded Turntrans52.249.8-174.4-54-72.9000112.7Q243 K244Q243-H247 WeakPolarHBondContact O-CA 3.37Å; Q243-H247 PolarHBondContact O-N 3.2Å; Q243-H247 VanDerWaalsContact O-N 3.14Å; K244-H247 PolarHBondContact O-CE1 2.83Å; K244-H247 PolarHBondContact O-ND1 2.81Å
248I95Very high90.3Very high10 Ų1026.7 Ų26.75%0.05113%0.129CC..  trans-128.8161.817864.7-177000110L14 L31 L36 Q243 L246 F250L14-I248 HydrophobicContact CD1-CG2 4.27Å; L31-I248 HydrophobicContact CD1-CD1 4.16Å; L36-I248 HydrophobicContact CD1-CB 4.01Å; L36-I248 HydrophobicContact CD1-CD1 4.39Å; L36-I248 HydrophobicContact CD1-CG2 3.85Å; L36-I248 HydrophobicContact CD2-CB 4.28Å; L36-I248 HydrophobicContact CD2-CD1 4.12Å; L36-I248 HydrophobicContact CD2-CG1 4.45Å; Q243-I248 CarbonylContact C-O 3.58Å; Q243-I248 WeakPolarHBondContact CA-O 3.22Å; Q243-I248 WeakPolarHBondContact CB-O 3.31Å; Q243-I248 VanDerWaalsContact CG-O 3.24Å; Q243-I248 WeakPolarHBondContact CG-O 3.41Å; Q243-I248 PolarHBondContact O-N 3.06Å; Q243-I248 VanDerWaalsContact O-N 3.12Å; L246-I248 VanDerWaalsContact C-N 3.33Å; L246-I248 HydrophobicContact CB-CD1 3.95Å; L246-I248 HydrophobicContact CB-CG1 3.98Å; L246-I248 HydrophobicContact CB-CG2 4.33Å; L246-I248 HydrophobicContact CD1-CD1 3.83Å; L246-I248 PolarHBondContact O-N 3.44Å; I248-F250 HydrophobicContact CD1-CE1 4.21Å; I248-F250 HydrophobicContact CD1-CE2 4.12Å; I248-F250 HydrophobicContact CD1-CZ 3.77Å; I248-F250 HydrophobicContact CG1-CE2 4.47Å
249T95.7Very high88.6Confident38 Ų3829.9 Ų29.923%0.23314%0.142CC..  trans-127.6120.4169.4-57.80000108.1L36 V37 K380L36-T249 CarbonylContact C-O 3.57Å; L36-T249 VanDerWaalsContact CA-O 3.24Å; L36-T249 WeakPolarHBondContact CA-O 3Å; L36-T249 WeakPolarHBondContact CB-O 3.35Å; V37-T249 HydrophobicContact CB-CG2 4.19Å; V37-T249 HydrophobicContact CG2-CG2 3.68Å; V37-T249 PolarHBondContact N-O 3.16Å; T249-K380 HydrophobicContact CG2-CB 4.35Å
250F95.5Very high86.5Confident0 Ų030.8 Ų30.80%015%0.147CC..BIsolated β-bridgetrans-69.6134.4176.9-67-80.9000109.7L27 R30 L31 L36 Q239 L242 Q243 I248 R252 F254 S382L27-F250 HydrophobicContact CD1-CE1 3.96Å; L27-F250 HydrophobicContact CD1-CZ 3.76Å; R30-F250 HydrophobicContact CB-CD1 3.92Å; R30-F250 HydrophobicContact CB-CE1 4.35Å; L31-F250 HydrophobicContact CB-CE1 4.14Å; L31-F250 HydrophobicContact CD1-CE1 4.02Å; L36-F250 HydrophobicContact CD2-CD1 3.65Å; L36-F250 HydrophobicContact CD2-CE1 4.05Å; L36-F250 HydrophobicContact CD2-CG 4.19Å; Q239-F250 HydrophobicContact CG-CD2 3.9Å; Q239-F250 HydrophobicContact CG-CE2 4.48Å; L242-F250 HydrophobicContact CB-CE2 4.09Å; L242-F250 HydrophobicContact CB-CZ 4.46Å; Q243-F250 HydrophobicContact CG-CD2 3.58Å; Q243-F250 HydrophobicContact CG-CE2 3.95Å; I248-F250 HydrophobicContact CD1-CE1 4.21Å; I248-F250 HydrophobicContact CD1-CE2 4.12Å; I248-F250 HydrophobicContact CD1-CZ 3.77Å; I248-F250 HydrophobicContact CG1-CE2 4.47Å; F250-R252 WeakPolarHBondContact CB-O 3.33Å; F250-R252 PolarHBondContact O-N 3Å; F250-F254 AromaticContact CD1-CE1 3.95Å; F250-F254 HydrophobicContact CD1-CE1 3.95Å; F250-F254 HydrophobicContact CD1-CZ 4.45Å; F250-F254 AromaticContact CD2-CE1 3.78Å; F250-F254 HydrophobicContact CD2-CE1 3.78Å; F250-F254 HydrophobicContact CD2-CZ 4Å; F250-F254 HydrophobicContact CE1-CE1 4.01Å; F250-F254 HydrophobicContact CE1-CZ 4.08Å; F250-F254 AromaticContact CE2-CE1 3.87Å; F250-F254 HydrophobicContact CE2-CE1 3.87Å; F250-F254 AromaticContact CE2-CZ 3.61Å; F250-F254 HydrophobicContact CE2-CZ 3.61Å; F250-F254 AromaticContact CG-CE1 3.83Å; F250-F254 HydrophobicContact CG-CE1 3.83Å; F250-F254 HydrophobicContact CG-CZ 4.42Å; F250-F254 AromaticContact CZ-CE1 3.99Å; F250-F254 HydrophobicContact CZ-CE1 3.99Å; F250-F254 AromaticContact CZ-CZ 3.66Å; F250-F254 HydrophobicContact CZ-CZ 3.66Å; F250-S382 WeakPolarHBondContact O-CB 3.44Å; F250-S382 PolarHBondContact O-OG 2.89Å
251K94.1Very high84.2Confident73 Ų7333.1 Ų33.132%0.31716%0.164SC..SBendtrans-66.8-16.6173.9-79-178.8170.1-176.40112.9D34 G35 L36 V37 S382 I383D34-K251 VanDerWaalsContact O-CD 3.32Å; D34-K251 WeakPolarHBondContact O-CD 3.26Å; G35-K251 WeakPolarHBondContact O-CB 3.26Å; G35-K251 PolarHBondContact O-N 3.12Å; L36-K251 VanDerWaalsContact C-CG 3.46Å; L36-K251 WeakPolarHBondContact O-CE 3.44Å; V37-K251 HydrophobicContact CG2-CG 4.11Å; K251-S382 CarbonylContact O-C 3.36Å; K251-S382 WeakPolarHBondContact O-CA 3.49Å; K251-I383 PolarHBondContact O-N 3.45Å
252R91.5Very high81.8Confident52 Ų5241.6 Ų41.620%0.19620%0.201CC..BIsolated β-bridgetrans-138.6139.4-179.5-176.7160.9-87.6169-12.4111D34 F250 I383 V385D34-R252 HydrophobicContact CB-CB 4.01Å; D34-R252 IonicContact OD1-CZ 3.75Å; D34-R252 IonicContact OD1-NH1 3.16Å; D34-R252 PolarHBondContact OD1-NH1 2.73Å; D34-R252 VanDerWaalsContact OD1-NH1 3.1Å; F250-R252 WeakPolarHBondContact CB-O 3.33Å; F250-R252 PolarHBondContact O-N 3Å; R252-I383 WeakPolarHBondContact CA-O 3.41Å; R252-I383 WeakPolarHBondContact CG-O 3.37Å; R252-V385 HydrophobicContact CG-CG2 4.05Å
253T91.2Very high79.2Confident0 Ų044.8 Ų44.80%022%0.218CC..  trans-62151.7176.1460000111.8R30 E256 F377R30-T253 PolarHBondContact NE-O 2.89Å; T253-E256 PolarHBondContact OG1-OE1 3.31Å; T253-F377 HydrophobicContact CG2-CB 4.3Å; T253-F377 HydrophobicContact CG2-CD2 4.43Å
254F88.5Confident76.9Confident9 Ų950.5 Ų50.54%0.03924%0.242CC..SBendtrans-76.3-37.1176-73.111.4000111.2L27 R30 L235 Q239 L242 F250L27-F254 HydrophobicContact CD1-CE1 4.25Å; L27-F254 HydrophobicContact CD1-CE2 4.07Å; L27-F254 HydrophobicContact CD1-CZ 3.44Å; L27-F254 VanDerWaalsContact CD1-CZ 3.44Å; R30-F254 HydrophobicContact CB-CD1 4.21Å; R30-F254 HydrophobicContact CB-CE1 3.8Å; R30-F254 HydrophobicContact CG-CD1 3.68Å; R30-F254 HydrophobicContact CG-CE1 3.78Å; L235-F254 HydrophobicContact CB-CB 4.08Å; L235-F254 HydrophobicContact CB-CD2 4.39Å; L235-F254 HydrophobicContact CD2-CD2 4.18Å; Q239-F254 HydrophobicContact CB-CD1 4.28Å; Q239-F254 HydrophobicContact CB-CD2 3.87Å; Q239-F254 HydrophobicContact CB-CE1 4.45Å; Q239-F254 HydrophobicContact CB-CE2 4.04Å; Q239-F254 HydrophobicContact CB-CG 4Å; Q239-F254 HydrophobicContact CB-CZ 4.32Å; Q239-F254 HydrophobicContact CG-CD1 4.22Å; Q239-F254 HydrophobicContact CG-CE1 4.25Å; Q239-F254 HydrophobicContact CG-CG 4.43Å; Q239-F254 HydrophobicContact CG-CZ 4.45Å; L242-F254 HydrophobicContact CD1-CE2 4.12Å; L242-F254 HydrophobicContact CD1-CZ 4.27Å; F250-F254 AromaticContact CD1-CE1 3.95Å; F250-F254 HydrophobicContact CD1-CE1 3.95Å; F250-F254 HydrophobicContact CD1-CZ 4.45Å; F250-F254 AromaticContact CD2-CE1 3.78Å; F250-F254 HydrophobicContact CD2-CE1 3.78Å; F250-F254 HydrophobicContact CD2-CZ 4Å; F250-F254 HydrophobicContact CE1-CE1 4.01Å; F250-F254 HydrophobicContact CE1-CZ 4.08Å; F250-F254 AromaticContact CE2-CE1 3.87Å; F250-F254 HydrophobicContact CE2-CE1 3.87Å; F250-F254 AromaticContact CE2-CZ 3.61Å; F250-F254 HydrophobicContact CE2-CZ 3.61Å; F250-F254 AromaticContact CG-CE1 3.83Å; F250-F254 HydrophobicContact CG-CE1 3.83Å; F250-F254 HydrophobicContact CG-CZ 4.42Å; F250-F254 AromaticContact CZ-CE1 3.99Å; F250-F254 HydrophobicContact CZ-CE1 3.99Å; F250-F254 AromaticContact CZ-CZ 3.66Å; F250-F254 HydrophobicContact CZ-CZ 3.66Å
255V79.5Confident74.6Confident29 Ų2951.4 Ų51.418%0.17625%0.253CS..  trans-136.9153.6179.5-59.60000110.8L235 I236 I260L235-V255 HydrophobicContact CB-CG1 3.74Å; L235-V255 HydrophobicContact CD1-CG1 3.57Å; L235-V255 HydrophobicContact CG-CG1 4.3Å; I236-V255 HydrophobicContact CD1-CG2 3.67Å; I236-V255 HydrophobicContact CG1-CG2 3.2Å; V255-I260 HydrophobicContact CB-CD1 4.42Å
256E73.2Confident72.2Confident9 Ų959.5 Ų59.54%0.04228%0.281CS..  trans-99.473.8175.7-71.8-53.7130.300111.5T253 N258 K259 I260 P384 V385 L390T253-E256 PolarHBondContact OG1-OE1 3.31Å; E256-N258 PolarHBondContact O-N 3.11Å; E256-K259 HydrophobicContact CB-CB 4.33Å; E256-K259 PolarHBondContact O-N 3.45Å; E256-K259 VanDerWaalsContact O-N 3.12Å; E256-I260 WeakPolarHBondContact O-CD1 3.3Å; E256-I260 WeakPolarHBondContact O-CG1 3.06Å; E256-I260 PolarHBondContact O-N 3.05Å; E256-I260 VanDerWaalsContact O-N 3.16Å; E256-P384 VanDerWaalsContact CD-CB 3.43Å; E256-P384 WeakPolarHBondContact OE1-CA 3.49Å; E256-P384 WeakPolarHBondContact OE1-CB 3.02Å; E256-P384 WeakPolarHBondContact OE2-CB 3.2Å; E256-V385 VanDerWaalsContact CD-N 3.29Å; E256-V385 HydrophobicContact CG-CB 3.74Å; E256-V385 HydrophobicContact CG-CG2 4Å; E256-V385 PolarHBondContact OE1-N 3.47Å; E256-L390 HydrophobicContact CB-CD1 4.12Å; E256-L390 HydrophobicContact CG-CD1 3.94Å; E256-L390 HydrophobicContact CG-CD2 4.44Å
257F65.7Low69.9Low13 Ų1362.1 Ų62.16%0.05730%0.295CS..Hα-helixtrans-56.1-39.4-175.4-162.6-104.4000113I236 K259 I260 Y367 N370 L371 T374I236-F257 HydrophobicContact CD1-CB 3.79Å; I236-F257 HydrophobicContact CD1-CD2 3.41Å; I236-F257 VanDerWaalsContact CD1-CD2 3.41Å; I236-F257 HydrophobicContact CD1-CE2 4.17Å; I236-F257 HydrophobicContact CD1-CG 3.74Å; F257-K259 PolarHBondContact O-N 2.99Å; F257-I260 PolarHBondContact O-N 2.04Å; F257-Y367 AromaticContact CE1-CD2 3.83Å; F257-Y367 HydrophobicContact CE1-CD2 3.83Å; F257-Y367 AromaticContact CE1-CE2 3.69Å; F257-Y367 HydrophobicContact CE1-CE2 3.69Å; F257-Y367 HydrophobicContact CE1-CG 4.4Å; F257-Y367 WeakPolarHBondContact CE1-O 3.21Å; F257-Y367 AromaticContact CZ-CD2 3.53Å; F257-Y367 HydrophobicContact CZ-CD2 3.53Å; F257-Y367 AromaticContact CZ-CE2 3.72Å; F257-Y367 HydrophobicContact CZ-CE2 3.72Å; F257-Y367 HydrophobicContact CZ-CG 4.29Å; F257-N370 HydrophobicContact CD1-CB 4.28Å; F257-N370 HydrophobicContact CD2-CB 4.21Å; F257-N370 HydrophobicContact CE1-CB 3.92Å; F257-N370 HydrophobicContact CE2-CB 3.84Å; F257-N370 HydrophobicContact CG-CB 4.4Å; F257-N370 HydrophobicContact CZ-CB 3.68Å; F257-L371 HydrophobicContact CD1-CB 3.96Å; F257-L371 HydrophobicContact CD1-CD1 4.33Å; F257-L371 HydrophobicContact CE1-CB 3.94Å; F257-T374 HydrophobicContact CB-CG2 4.22Å; F257-T374 WeakPolarHBondContact CB-OG1 3.38Å
258N63.3Low68Low55 Ų5556.8 Ų56.829%0.29427%0.272SS..Hα-helixtrans-64.8-26.6-177.5-59.45.9000113E256 L371 N375E256-N258 PolarHBondContact O-N 3.11Å; N258-L371 WeakPolarHBondContact OD1-CD1 3.46Å; N258-N375 PolarHBondContact ND2-OD1 2.64Å
259K61.1Low66.5Low67 Ų6758.4 Ų58.429%0.29128%0.278SS..Hα-helixtrans-95.2-24.5179.6-65.8-165.2173.1-159.80112.9E256 F257 S261 F262 I263 E387 L390E256-K259 HydrophobicContact CB-CB 4.33Å; E256-K259 PolarHBondContact O-N 3.45Å; E256-K259 VanDerWaalsContact O-N 3.12Å; F257-K259 PolarHBondContact O-N 2.99Å; K259-S261 VanDerWaalsContact C-N 3.29Å; K259-S261 PolarHBondContact O-N 3.32Å; K259-F262 PolarHBondContact O-N 3.31Å; K259-I263 HydrophobicContact CB-CD1 4.48Å; K259-I263 PolarHBondContact O-N 3.01Å; K259-E387 IonicContact NZ-OE2 2.78Å; K259-E387 PolarHBondContact NZ-OE2 2.79Å; K259-L390 HydrophobicContact CD-CD1 4.38Å
260I52.5Low65.6Low21 Ų2159 Ų5911%0.10828%0.282CS..Hα-helixtrans-67.7-27.6-178.3-69.8163.2000112.1V255 E256 F257 F262 L268V255-I260 HydrophobicContact CB-CD1 4.42Å; E256-I260 WeakPolarHBondContact O-CD1 3.3Å; E256-I260 WeakPolarHBondContact O-CG1 3.06Å; E256-I260 PolarHBondContact O-N 3.05Å; E256-I260 VanDerWaalsContact O-N 3.16Å; F257-I260 PolarHBondContact O-N 2.04Å; I260-F262 VanDerWaalsContact C-N 3.27Å; I260-F262 PolarHBondContact O-N 2.97Å; I260-L268 HydrophobicContact CD1-CD2 4.19Å; I260-L268 HydrophobicContact CG2-CD1 3.48Å; I260-L268 VanDerWaalsContact CG2-CD1 3.48Å; I260-L268 HydrophobicContact CG2-CD2 4.35Å; I260-L268 HydrophobicContact CG2-CG 3.8Å
261S49.5Very low64.9Low53 Ų5360.2 Ų60.237%0.37129%0.288SS..THydrogen-bonded Turntrans-67.2-27.2175.161.80000113.3K259K259-S261 VanDerWaalsContact C-N 3.29Å; K259-S261 PolarHBondContact O-N 3.32Å
262F45.4Very low64.6Low181 Ų18156.8 Ų56.879%0.79427%0.273SS*.THydrogen-bonded Turntrans-100.4-29.1-178.6-68.3-80.1000112.9K259 I260K259-F262 PolarHBondContact O-N 3.31Å; I260-F262 VanDerWaalsContact C-N 3.27Å; I260-F262 PolarHBondContact O-N 2.97Å
263I44.1Very low64.3Low67 Ų6755.2 Ų55.234%0.34427%0.269SS..SBendtrans-112.978.4-173.2-49.8175.8000109.2K259 L267K259-I263 HydrophobicContact CB-CD1 4.48Å; K259-I263 PolarHBondContact O-N 3.01Å; I263-L267 HydrophobicContact CB-CD1 4.37Å; I263-L267 HydrophobicContact CG2-CD1 3.99Å; I263-L267 VanDerWaalsContact O-CD1 3.3Å; I263-L267 WeakPolarHBondContact O-CD1 3.45Å
264K48.9Very low64Low137 Ų13757 Ų5760%0.59628%0.278SS*.  trans55.7117.7164.3-62-178.1178.61770116.2R266 L267K264-R266 HydrophobicContact CB-CB 4.23Å; K264-R266 PolarHBondContact O-N 2.81Å; K264-L267 PolarHBondContact O-N 2.83Å
265P46.2Very low63.9Low69 Ų6957.1 Ų57.145%0.44828%0.279SS..G310 helixtrans-47.6-23.8165.3-27.133.7000114.3L267 L268 F269 I352P265-L267 PolarHBondContact O-N 3.37Å; P265-L268 PolarHBondContact O-N 3.37Å; P265-L268 VanDerWaalsContact O-N 3.15Å; P265-F269 WeakPolarHBondContact O-CD2 3.11Å; P265-I352 HydrophobicContact CB-CG2 4.25Å
266R44.5Very low64.5Low189 Ų18958.7 Ų58.771%0.71328%0.282SS*.G310 helixtrans-53.4-29.9173.8-75.4-172.8179.3160.52.7115K264 L268 F269K264-R266 HydrophobicContact CB-CB 4.23Å; K264-R266 PolarHBondContact O-N 2.81Å; R266-L268 PolarHBondContact O-N 2.04Å; R266-F269 PolarHBondContact O-N 3.36Å
267L48.1Very low65.2Low67 Ų6761.5 Ų61.535%0.35130%0.302SS..G310 helixtrans-69.1-13.8179.3-71.8-179.9000114.1I263 K264 P265 N394I263-L267 HydrophobicContact CB-CD1 4.37Å; I263-L267 HydrophobicContact CG2-CD1 3.99Å; I263-L267 VanDerWaalsContact O-CD1 3.3Å; I263-L267 WeakPolarHBondContact O-CD1 3.45Å; K264-L267 PolarHBondContact O-N 2.83Å; P265-L267 PolarHBondContact O-N 3.37Å; L267-N394 HydrophobicContact CD2-CB 3.88Å; L267-N394 VanDerWaalsContact CD2-CG 3.45Å; L267-N394 VanDerWaalsContact CD2-OD1 3.24Å; L267-N394 WeakPolarHBondContact CD2-OD1 3.27Å
268L54.6Low66.2Low54 Ų5466 Ų6628%0.28333%0.327SS..G310 helixtrans-92.8-16.9179.9-75.2162.9000113.8I260 P265 R266 I352I260-L268 HydrophobicContact CD1-CD2 4.19Å; I260-L268 HydrophobicContact CG2-CD1 3.48Å; I260-L268 VanDerWaalsContact CG2-CD1 3.48Å; I260-L268 HydrophobicContact CG2-CD2 4.35Å; I260-L268 HydrophobicContact CG2-CG 3.8Å; P265-L268 PolarHBondContact O-N 3.37Å; P265-L268 VanDerWaalsContact O-N 3.15Å; R266-L268 PolarHBondContact O-N 2.04Å; L268-I352 HydrophobicContact CD1-CB 3.69Å; L268-I352 HydrophobicContact CD1-CG2 3.11Å
269F63.7Low67.5Low43 Ų4365.2 Ų65.219%0.18932%0.323CS..  trans-80.1127.1179-62.7-78.7000110.4P265 R266 T273 I274 H355 W397P265-F269 WeakPolarHBondContact O-CD2 3.11Å; R266-F269 PolarHBondContact O-N 3.36Å; F269-T273 HydrophobicContact CD1-CG2 3.74Å; F269-T273 HydrophobicContact CE1-CG2 4.44Å; F269-I274 HydrophobicContact CB-CD1 4.12Å; F269-I274 HydrophobicContact CB-CG1 3.97Å; F269-H355 HydrophobicContact CE1-CB 4.09Å; F269-H355 HydrophobicContact CZ-CB 3.83Å; F269-H355 AromaticContact CZ-CD2 3.84Å; F269-W397 WeakPolarHBondContact O-CZ2 3.41Å
270T76.3Confident69.1Low52 Ų5266.7 Ų66.732%0.31933%0.334SS..  trans-74.9154.916971.40000109.5R106 A272 T273 I274R106-T270 PolarHBondContact NH2-OG1 2.95Å; T270-A272 PolarHBondContact O-N 3.12Å; T270-A272 VanDerWaalsContact O-N 3.11Å; T270-T273 WeakPolarHBondContact O-CB 3.4Å; T270-T273 PolarHBondContact O-N 2.82Å; T270-T273 PolarHBondContact OG1-N 3.34Å; T270-T273 PolarHBondContact OG1-OG1 2.96Å; T270-I274 PolarHBondContact O-N 2.88Å
271H81.8Confident71.1Confident25 Ų2571.9 Ų71.912%0.11636%0.358CS..Hα-helixtrans-48.2-41.2170.9-74.9-112.5000111.6T273 I274 I275 W397 R400 L401 D404H271-T273 VanDerWaalsContact C-N 3.32Å; H271-T273 PolarHBondContact O-N 3.41Å; H271-I274 PolarHBondContact O-N 2.91Å; H271-I275 WeakPolarHBondContact O-CG1 3.27Å; H271-I275 PolarHBondContact O-N 3.27Å; H271-W397 AromaticContact CD2-CD1 3.35Å; H271-W397 AromaticContact CD2-CE2 3.58Å; H271-W397 AromaticContact CD2-CG 3.93Å; H271-W397 AromaticContact CD2-NE1 3.12Å; H271-W397 PolarHBondContact CD2-NE1 2.89Å; H271-W397 PolarHBondContact CE1-O 3.32Å; H271-W397 AromaticContact NE2-CD1 3.2Å; H271-W397 AromaticContact NE2-CD2 3.66Å; H271-W397 AromaticContact NE2-CE2 3.67Å; H271-W397 AromaticContact NE2-CG 3.35Å; H271-W397 VanDerWaalsContact NE2-CG 3.35Å; H271-W397 AromaticContact NE2-NE1 3.41Å; H271-W397 PolarHBondContact NE2-NE1 2.98Å; H271-W397 PolarHBondContact NE2-O 3.14Å; H271-R400 VanDerWaalsContact CE1-CB 3.47Å; H271-R400 WeakPolarHBondContact CE1-CB 3.47Å; H271-L401 HydrophobicContact CB-CD1 4.24Å; H271-L401 VanDerWaalsContact CE1-CA 3.48Å; H271-L401 WeakPolarHBondContact CE1-CA 3.28Å; H271-L401 PolarHBondContact CE1-N 2.73Å; H271-L401 WeakPolarHBondContact ND1-CD1 3.32Å; H271-D404 IonicContact CE1-OD2 3.4Å; H271-D404 IonicContact ND1-OD2 3.13Å; H271-D404 PolarHBondContact ND1-OD2 3Å; H271-D404 VanDerWaalsContact ND1-OD2 3.13Å
272A87.1Confident73.3Confident1 Ų172.9 Ų72.91%0.00837%0.365CS..Hα-helixtrans-64.5-34.7179.400000113N110 I113 T270 I275 R276N110-A272 HydrophobicContact CB-CB 4.13Å; N110-A272 WeakPolarHBondContact O-CB 3.37Å; I113-A272 HydrophobicContact CB-CB 4.13Å; I113-A272 HydrophobicContact CG2-CB 3.94Å; T270-A272 PolarHBondContact O-N 3.12Å; T270-A272 VanDerWaalsContact O-N 3.11Å; A272-I275 PolarHBondContact O-N 2.02Å; A272-R276 WeakPolarHBondContact O-CB 3.48Å; A272-R276 PolarHBondContact O-N 3.19Å
273T85.7Confident75.7Confident19 Ų1965.5 Ų65.512%0.11734%0.335CS..Hα-helixtrans-67-41.3176.7-46.80000110.9F269 T270 H271 R276 S277F269-T273 HydrophobicContact CD1-CG2 3.74Å; F269-T273 HydrophobicContact CE1-CG2 4.44Å; T270-T273 WeakPolarHBondContact O-CB 3.4Å; T270-T273 PolarHBondContact O-N 2.82Å; T270-T273 PolarHBondContact OG1-N 3.34Å; T270-T273 PolarHBondContact OG1-OG1 2.96Å; H271-T273 VanDerWaalsContact C-N 3.32Å; H271-T273 PolarHBondContact O-N 3.41Å; T273-R276 WeakPolarHBondContact O-CB 3.43Å; T273-R276 PolarHBondContact O-N 2.95Å; T273-S277 PolarHBondContact O-N 3.14Å; T273-S277 VanDerWaalsContact O-N 3.09Å
274I84.5Confident78.1Confident37 Ų3763.1 Ų63.119%0.1932%0.323CS..Hα-helixtrans-68.3-39.5177.5-67.7172.4000111.3F269 T270 H271 S277 N278 W397 L401 F405F269-I274 HydrophobicContact CB-CD1 4.12Å; F269-I274 HydrophobicContact CB-CG1 3.97Å; T270-I274 PolarHBondContact O-N 2.88Å; H271-I274 PolarHBondContact O-N 2.91Å; I274-S277 PolarHBondContact O-OG 2.88Å; I274-N278 PolarHBondContact O-ND2 2.95Å; I274-W397 HydrophobicContact CD1-CH2 3.26Å; I274-W397 HydrophobicContact CD1-CZ2 3.48Å; I274-W397 VanDerWaalsContact CD1-CZ2 3.48Å; I274-L401 HydrophobicContact CD1-CD2 3.89Å; I274-L401 HydrophobicContact CG2-CD1 4.28Å; I274-L401 HydrophobicContact CG2-CD2 4.39Å; I274-F405 HydrophobicContact CG2-CE2 3.54Å; I274-F405 HydrophobicContact CG2-CZ 3.47Å; I274-F405 VanDerWaalsContact CG2-CZ 3.47Å
275I87.1Confident80.4Confident11 Ų1161.1 Ų61.16%0.05632%0.315CS..Hα-helixtrans-66.8-44.6173.4-69.5-165.1000110.5I113 W116 Q117 H271 A272 S277 N278 L279 D404I113-I275 HydrophobicContact CG2-CB 3.89Å; I113-I275 HydrophobicContact CG2-CG2 3.66Å; W116-I275 HydrophobicContact CZ3-CD1 4.02Å; W116-I275 HydrophobicContact CZ3-CG2 4.12Å; Q117-I275 HydrophobicContact CG-CD1 3.78Å; H271-I275 WeakPolarHBondContact O-CG1 3.27Å; H271-I275 PolarHBondContact O-N 3.27Å; A272-I275 PolarHBondContact O-N 2.02Å; I275-S277 PolarHBondContact O-N 3.13Å; I275-N278 CarbonylContact O-C 3.51Å; I275-N278 WeakPolarHBondContact O-CA 3.29Å; I275-N278 PolarHBondContact O-N 3.35Å; I275-L279 HydrophobicContact CG2-CD1 4.28Å; I275-L279 HydrophobicContact CG2-CD2 4.28Å; I275-L279 HydrophobicContact CG2-CG 4.12Å; I275-L279 WeakPolarHBondContact O-CG 3.29Å; I275-L279 PolarHBondContact O-N 3.23Å; I275-L279 VanDerWaalsContact O-N 3.14Å; I275-D404 HydrophobicContact CD1-CB 4.37Å
276R90.8Very high82.9Confident63 Ų6360.5 Ų60.524%0.23831%0.306CS..Hα-helixtrans-53-39.6178.1-177.6176.4173.4169-2.8112.2D107 I109 N110 I113 A272 T273 N278 L279 L284D107-R276 IonicContact OD1-NH1 3.05Å; D107-R276 PolarHBondContact OD1-NH1 2.97Å; D107-R276 IonicContact OD2-NH1 3.92Å; D107-R276 PolarHBondContact OD2-NH1 3.48Å; I109-R276 HydrophobicContact CG2-CG 4.49Å; N110-R276 WeakPolarHBondContact OD1-CD 3.39Å; I113-R276 HydrophobicContact CD1-CB 3.62Å; I113-R276 HydrophobicContact CD1-CG 4.07Å; A272-R276 WeakPolarHBondContact O-CB 3.48Å; A272-R276 PolarHBondContact O-N 3.19Å; T273-R276 WeakPolarHBondContact O-CB 3.43Å; T273-R276 PolarHBondContact O-N 2.95Å; R276-N278 PolarHBondContact O-N 3Å; R276-L279 PolarHBondContact O-N 2.88Å; R276-L284 HydrophobicContact CG-CD2 3.87Å
277S88Confident85.5Confident67 Ų6751.5 Ų51.547%0.46927%0.272SS..Hα-helixtrans-69.1-17.8178680000114.3T273 I274 I275T273-S277 PolarHBondContact O-N 3.14Å; T273-S277 VanDerWaalsContact O-N 3.09Å; I274-S277 PolarHBondContact O-OG 2.88Å; I275-S277 PolarHBondContact O-N 3.13Å
278N88Confident87.8Confident109 Ų10950.7 Ų50.758%0.58327%0.267SS*.Hα-helixtrans-104.6-3-179.8-68.7-66.5000113.2I274 I275 R276I274-N278 PolarHBondContact O-ND2 2.95Å; I275-N278 CarbonylContact O-C 3.51Å; I275-N278 WeakPolarHBondContact O-CA 3.29Å; I275-N278 PolarHBondContact O-N 3.35Å; R276-N278 PolarHBondContact O-N 3Å
279L90Very high89.9Confident37 Ų3749.4 Ų49.419%0.19426%0.26CS..SBendtrans-79.5143.7175.4-68.9177.4000110.8I113 M161 I275 R276 T283 L284 I287I113-L279 HydrophobicContact CD1-CD1 3.75Å; I113-L279 HydrophobicContact CG1-CD1 4.13Å; M161-L279 HydrophobicContact CE-CD1 4.41Å; I275-L279 HydrophobicContact CG2-CD1 4.28Å; I275-L279 HydrophobicContact CG2-CD2 4.28Å; I275-L279 HydrophobicContact CG2-CG 4.12Å; I275-L279 WeakPolarHBondContact O-CG 3.29Å; I275-L279 PolarHBondContact O-N 3.23Å; I275-L279 VanDerWaalsContact O-N 3.14Å; R276-L279 PolarHBondContact O-N 2.88Å; L279-T283 HydrophobicContact CD1-CG2 4.48Å; L279-T283 HydrophobicContact CD2-CG2 4.38Å; L279-L284 HydrophobicContact CB-CD2 3.93Å; L279-L284 HydrophobicContact CB-CG 3.94Å; L279-L284 HydrophobicContact CD1-CD2 3.89Å; L279-I287 HydrophobicContact CD1-CD1 3.83Å
280N93.4Very high91.5Very high99 Ų9947.3 Ų47.353%0.52925%0.251SS..  trans-67.3156.1171.668.733.1000111.3S282 T283 L284N280-S282 VanDerWaalsContact C-N 3.3Å; N280-S282 PolarHBondContact O-N 3.26Å; N280-T283 PolarHBondContact O-N 3.49Å; N280-T283 WeakPolarHBondContact OD1-CB 3.28Å; N280-T283 PolarHBondContact OD1-N 2.88Å; N280-T283 PolarHBondContact OD1-OG1 2.85Å; N280-L284 WeakPolarHBondContact O-CG 3.07Å; N280-L284 PolarHBondContact O-N 3.42Å; N280-L284 VanDerWaalsContact O-N 3.11Å
281Q94.6Very high92.6Very high129 Ų12944.9 Ų44.960%0.60324%0.236SC*.Hα-helixtrans-62.5-36-176.4-68.7-59.8-28.700112.8T283 L284 H285Q281-T283 PolarHBondContact O-N 3.17Å; Q281-L284 PolarHBondContact O-N 2.92Å; Q281-H285 PolarHBondContact O-CD2 3.22Å; Q281-H285 PolarHBondContact O-N 2.81Å
282S96Very high93.4Very high75 Ų7545 Ų4552%0.52424%0.235SC..Hα-helixtrans-58.7-48.9177.1-168.40000111.9N280 L284 H285 E286N280-S282 VanDerWaalsContact C-N 3.3Å; N280-S282 PolarHBondContact O-N 3.26Å; S282-L284 VanDerWaalsContact C-N 3.33Å; S282-L284 PolarHBondContact O-N 3.47Å; S282-H285 WeakPolarHBondContact O-CB 3.22Å; S282-H285 PolarHBondContact O-N 3.1Å; S282-E286 WeakPolarHBondContact O-CG 3.33Å; S282-E286 PolarHBondContact O-N 3.31Å
283T95.5Very high93.9Very high26 Ų2644.9 Ų44.916%0.1624%0.235CC..Hα-helixtrans-64-39.8178-55.70000110.9M161 L279 N280 Q281 H285 E286 I287M161-T283 HydrophobicContact CB-CG2 4.26Å; M161-T283 HydrophobicContact CG-CG2 3.69Å; L279-T283 HydrophobicContact CD1-CG2 4.48Å; L279-T283 HydrophobicContact CD2-CG2 4.38Å; N280-T283 PolarHBondContact O-N 3.49Å; N280-T283 WeakPolarHBondContact OD1-CB 3.28Å; N280-T283 PolarHBondContact OD1-N 2.88Å; N280-T283 PolarHBondContact OD1-OG1 2.85Å; Q281-T283 PolarHBondContact O-N 3.17Å; T283-H285 VanDerWaalsContact C-N 3.33Å; T283-H285 PolarHBondContact O-N 2.85Å; T283-E286 PolarHBondContact O-N 3.27Å; T283-I287 HydrophobicContact CG2-CD1 4.12Å; T283-I287 VanDerWaalsContact O-CG1 3.3Å; T283-I287 WeakPolarHBondContact O-CG1 3.35Å; T283-I287 PolarHBondContact O-N 3.01Å
284L96.3Very high94.5Very high17 Ų1744 Ų449%0.08923%0.229CC..Hα-helixtrans-61.6-41175.2-70.9176.1000111.9I109 R276 L279 N280 Q281 S282 I287 Q288I109-L284 HydrophobicContact CG2-CD2 4.43Å; R276-L284 HydrophobicContact CG-CD2 3.87Å; L279-L284 HydrophobicContact CB-CD2 3.93Å; L279-L284 HydrophobicContact CB-CG 3.94Å; L279-L284 HydrophobicContact CD1-CD2 3.89Å; N280-L284 WeakPolarHBondContact O-CG 3.07Å; N280-L284 PolarHBondContact O-N 3.42Å; N280-L284 VanDerWaalsContact O-N 3.11Å; Q281-L284 PolarHBondContact O-N 2.92Å; S282-L284 VanDerWaalsContact C-N 3.33Å; S282-L284 PolarHBondContact O-N 3.47Å; L284-I287 PolarHBondContact O-N 2.65Å; L284-Q288 VanDerWaalsContact O-CG 3.25Å; L284-Q288 WeakPolarHBondContact O-CG 3.48Å; L284-Q288 PolarHBondContact O-N 3.12Å
285H97.3Very high95.2Very high95 Ų9543.7 Ų43.744%0.4423%0.228SC..Hα-helixtrans-64.3-40.5174.5-76.2-57.3000112.5Q281 S282 T283 Q288 N289Q281-H285 PolarHBondContact O-CD2 3.22Å; Q281-H285 PolarHBondContact O-N 2.81Å; S282-H285 WeakPolarHBondContact O-CB 3.22Å; S282-H285 PolarHBondContact O-N 3.1Å; T283-H285 VanDerWaalsContact C-N 3.33Å; T283-H285 PolarHBondContact O-N 2.85Å; H285-Q288 PolarHBondContact ND1-OE1 3.03Å; H285-Q288 VanDerWaalsContact ND1-OE1 3.15Å; H285-Q288 WeakPolarHBondContact O-CB 3.38Å; H285-Q288 PolarHBondContact O-N 2.94Å; H285-N289 WeakPolarHBondContact O-CB 3.39Å; H285-N289 PolarHBondContact O-N 3.23Å; H285-N289 PolarHBondContact O-ND2 3.09Å
286E97.8Very high95.7Very high55 Ų5544.6 Ų44.626%0.25723%0.231SC..Hα-helixtrans-62.2-44.5174.6-68.8-179.8-175.600111.8K162 I165 S282 T283 Q288 N289 V290K162-E286 WeakPolarHBondContact CD-OE2 3.44Å; I165-E286 HydrophobicContact CD1-CB 3.72Å; I165-E286 HydrophobicContact CG2-CB 4.38Å; S282-E286 WeakPolarHBondContact O-CG 3.33Å; S282-E286 PolarHBondContact O-N 3.31Å; T283-E286 PolarHBondContact O-N 3.27Å; E286-Q288 VanDerWaalsContact C-N 3.31Å; E286-Q288 PolarHBondContact O-N 3.47Å; E286-N289 PolarHBondContact O-N 2.79Å; E286-V290 PolarHBondContact O-N 3.47Å
287I97.9Very high96.1Very high0 Ų041.6 Ų41.60%022%0.22CC..Hα-helixtrans-62-40.4175.9-63.9167.1000110.9I109 F112 I113 M161 I165 L279 T283 L284 N291I109-I287 HydrophobicContact CB-CG2 4.49Å; I109-I287 HydrophobicContact CD1-CG2 3.97Å; I109-I287 HydrophobicContact CG2-CG2 3.93Å; F112-I287 HydrophobicContact CB-CG2 4.01Å; F112-I287 HydrophobicContact CD1-CB 4.49Å; F112-I287 HydrophobicContact CD1-CG1 4.14Å; F112-I287 HydrophobicContact CD1-CG2 3.73Å; F112-I287 HydrophobicContact CE1-CG1 4.31Å; F112-I287 HydrophobicContact CG-CG2 4.08Å; I113-I287 HydrophobicContact CD1-CD1 4.4Å; I113-I287 HydrophobicContact CG1-CD1 3.97Å; M161-I287 HydrophobicContact CE-CD1 3.95Å; M161-I287 HydrophobicContact CG-CD1 4.2Å; M161-I287 HydrophobicContact CG-CG1 4.38Å; M161-I287 HydrophobicContact SD-CD1 3.93Å; M161-I287 HydrophobicContact SD-CG1 4.18Å; I165-I287 HydrophobicContact CD1-CG1 3.79Å; L279-I287 HydrophobicContact CD1-CD1 3.83Å; T283-I287 HydrophobicContact CG2-CD1 4.12Å; T283-I287 VanDerWaalsContact O-CG1 3.3Å; T283-I287 WeakPolarHBondContact O-CG1 3.35Å; T283-I287 PolarHBondContact O-N 3.01Å; L284-I287 PolarHBondContact O-N 2.65Å; I287-N291 WeakPolarHBondContact O-CB 3.41Å; I287-N291 PolarHBondContact O-N 3.32Å; I287-N291 VanDerWaalsContact O-N 3.14Å; I287-N291 PolarHBondContact O-ND2 2.88Å
288Q98.1Very high96.6Very high51 Ų5139.1 Ų39.124%0.23820%0.2CC..Hα-helixtrans-62.4-44.9175.6-74.9169.3-7.900111.5I109 L284 H285 E286 N291 R292 I295I109-Q288 HydrophobicContact CD1-CB 4.2Å; I109-Q288 HydrophobicContact CD1-CG 3.58Å; I109-Q288 HydrophobicContact CG1-CG 4.33Å; L284-Q288 VanDerWaalsContact O-CG 3.25Å; L284-Q288 WeakPolarHBondContact O-CG 3.48Å; L284-Q288 PolarHBondContact O-N 3.12Å; H285-Q288 PolarHBondContact ND1-OE1 3.03Å; H285-Q288 VanDerWaalsContact ND1-OE1 3.15Å; H285-Q288 WeakPolarHBondContact O-CB 3.38Å; H285-Q288 PolarHBondContact O-N 2.94Å; E286-Q288 VanDerWaalsContact C-N 3.31Å; E286-Q288 PolarHBondContact O-N 3.47Å; Q288-N291 CarbonylContact O-C 3.49Å; Q288-N291 PolarHBondContact O-N 3.42Å; Q288-R292 WeakPolarHBondContact O-CA 3.49Å; Q288-R292 PolarHBondContact O-N 2.78Å; Q288-I295 HydrophobicContact CB-CD1 4.06Å; Q288-I295 HydrophobicContact CG-CD1 4.25Å; Q288-I295 WeakPolarHBondContact O-CD1 3.48Å
289N98.1Very high97Very high26 Ų2637.7 Ų37.714%0.13919%0.193CC..Hα-helixtrans-67.3-42.7-177.4-69.7-18.2000111.6P198 L199 H285 E286 N291 R292P198-N289 WeakPolarHBondContact CA-O 3.19Å; P198-N289 HydrophobicContact CB-CB 3.93Å; L199-N289 PolarHBondContact N-O 3.02Å; L199-N289 PolarHBondContact O-OD1 3.16Å; H285-N289 WeakPolarHBondContact O-CB 3.39Å; H285-N289 PolarHBondContact O-N 3.23Å; H285-N289 PolarHBondContact O-ND2 3.09Å; E286-N289 PolarHBondContact O-N 2.79Å; N289-N291 VanDerWaalsContact C-N 3.27Å; N289-N291 PolarHBondContact O-N 2.96Å; N289-R292 WeakPolarHBondContact O-CB 3.47Å; N289-R292 PolarHBondContact O-N 3.14Å; N289-R292 PolarHBondContact OD1-NH2 3.33Å
290V98Very high97.4Very high0 Ų038.5 Ų38.50%020%0.195CC..Hα-helixtrans-71.2-21.617883.10000113.1F112 I165 S173 N174 S196 P198 E286F112-V290 HydrophobicContact CD2-CG1 4.5Å; F112-V290 HydrophobicContact CE1-CG1 4.38Å; F112-V290 HydrophobicContact CE2-CG1 3.92Å; F112-V290 HydrophobicContact CZ-CG1 3.85Å; I165-V290 HydrophobicContact CG1-CG1 4.43Å; I165-V290 HydrophobicContact CG2-CB 4.31Å; I165-V290 HydrophobicContact CG2-CG1 4.47Å; S173-V290 VanDerWaalsContact OG-CG2 3.31Å; S173-V290 WeakPolarHBondContact OG-CG2 3.47Å; N174-V290 PolarHBondContact ND2-O 2.82Å; N174-V290 VanDerWaalsContact ND2-O 3.17Å; S196-V290 WeakPolarHBondContact O-CG2 3.45Å; P198-V290 HydrophobicContact CG-CB 4.29Å; P198-V290 HydrophobicContact CG-CG2 4.22Å; E286-V290 PolarHBondContact O-N 3.47Å
291N98.3Very high97.6Very high0 Ų033.8 Ų33.80%017%0.17CC..THydrogen-bonded Turntrans-108.323175.8-65.8-83.8000113.3P108 R111 F112 N174 I287 Q288 N289 L293 D294 I295P108-N291 HydrophobicContact CB-CB 4.28Å; R111-N291 PolarHBondContact NH2-OD1 2.89Å; F112-N291 WeakPolarHBondContact CB-ND2 3.38Å; F112-N291 WeakPolarHBondContact CD2-ND2 3.5Å; F112-N291 WeakPolarHBondContact CD2-OD1 3.38Å; F112-N291 WeakPolarHBondContact CG-ND2 3.31Å; N174-N291 PolarHBondContact N-OD1 2.89Å; N174-N291 WeakPolarHBondContact OD1-CA 3.43Å; N174-N291 PolarHBondContact OD1-O 3.18Å; I287-N291 WeakPolarHBondContact O-CB 3.41Å; I287-N291 PolarHBondContact O-N 3.32Å; I287-N291 VanDerWaalsContact O-N 3.14Å; I287-N291 PolarHBondContact O-ND2 2.88Å; Q288-N291 CarbonylContact O-C 3.49Å; Q288-N291 PolarHBondContact O-N 3.42Å; N289-N291 VanDerWaalsContact C-N 3.27Å; N289-N291 PolarHBondContact O-N 2.96Å; N291-L293 VanDerWaalsContact C-N 3.31Å; N291-L293 PolarHBondContact O-N 3.02Å; N291-D294 HydrophobicContact CB-CB 4.39Å; N291-D294 WeakPolarHBondContact O-CB 3.39Å; N291-D294 PolarHBondContact O-N 2.93Å; N291-D294 VanDerWaalsContact O-N 3.09Å; N291-I295 WeakPolarHBondContact O-CG1 3.29Å; N291-I295 PolarHBondContact O-N 3.33Å
292R98.4Very high97.7Very high27 Ų2730.1 Ų30.110%0.10215%0.152CC..Hα-helixtrans-59.4-38-171.8-175.260.466170.20.4113.6N174 L199 V201 Q288 N289 I295 F296N174-R292 PolarHBondContact OD1-N 3.31Å; L199-R292 HydrophobicContact CB-CB 3.96Å; L199-R292 HydrophobicContact CB-CG 4.05Å; L199-R292 PolarHBondContact O-NE 3.44Å; V201-R292 HydrophobicContact CG2-CG 4.07Å; V201-R292 WeakPolarHBondContact O-CD 3.05Å; V201-R292 VanDerWaalsContact O-CZ 3.28Å; V201-R292 PolarHBondContact O-NE 2.96Å; V201-R292 VanDerWaalsContact O-NE 3.16Å; V201-R292 PolarHBondContact O-NH1 3.45Å; Q288-R292 WeakPolarHBondContact O-CA 3.49Å; Q288-R292 PolarHBondContact O-N 2.78Å; N289-R292 WeakPolarHBondContact O-CB 3.47Å; N289-R292 PolarHBondContact O-N 3.14Å; N289-R292 PolarHBondContact OD1-NH2 3.33Å; R292-I295 WeakPolarHBondContact O-CB 3.41Å; R292-I295 PolarHBondContact O-N 2.87Å; R292-F296 HydrophobicContact CG-CD2 4.05Å; R292-F296 HydrophobicContact CG-CE2 3.62Å; R292-F296 WeakPolarHBondContact O-CD2 3.35Å; R292-F296 PolarHBondContact O-N 3.28Å; R292-F296 VanDerWaalsContact O-N 3.16Å
293L98.7Very high97.6Very high0 Ų031 Ų310%015%0.147CC..Hα-helixtrans-69.4-39.8177.6-53177.8000111.1N174 T177 L199 I207 L214 N291 I295 F296 L297N174-L293 HydrophobicContact CB-CB 4.1Å; N174-L293 HydrophobicContact CB-CD1 4.29Å; N174-L293 WeakPolarHBondContact OD1-CA 3.45Å; N174-L293 WeakPolarHBondContact OD1-CB 3.18Å; N174-L293 PolarHBondContact OD1-N 3Å; T177-L293 HydrophobicContact CG2-CB 4.16Å; T177-L293 VanDerWaalsContact OG1-C 3.3Å; T177-L293 PolarHBondContact OG1-O 2.92Å; L199-L293 HydrophobicContact CD1-CD2 4.15Å; I207-L293 HydrophobicContact CD1-CD2 4.31Å; I207-L293 HydrophobicContact CG2-CD2 4Å; L214-L293 HydrophobicContact CD2-CD1 4.08Å; N291-L293 VanDerWaalsContact C-N 3.31Å; N291-L293 PolarHBondContact O-N 3.02Å; L293-I295 VanDerWaalsContact C-N 3.26Å; L293-I295 PolarHBondContact O-N 3.17Å; L293-F296 PolarHBondContact O-N 3.09Å; L293-L297 WeakPolarHBondContact O-CB 3.44Å; L293-L297 PolarHBondContact O-N 2.95Å
294D98.8Very high97.6Very high0 Ų030.9 Ų30.90%015%0.146CC..Hα-helixtrans-62-35.2174.3-87.313.6000111.6P108 R111 N174 R175 Q176 T177 N291 L297 Y298P108-D294 HydrophobicContact CB-CB 3.71Å; P108-D294 VanDerWaalsContact CG-C 3.44Å; P108-D294 HydrophobicContact CG-CB 3.81Å; P108-D294 VanDerWaalsContact CG-O 3.29Å; P108-D294 WeakPolarHBondContact CG-O 3.37Å; R111-D294 IonicContact NE-OD2 3.76Å; R111-D294 IonicContact NH2-OD2 3.14Å; N174-D294 VanDerWaalsContact C-CG 3.48Å; N174-D294 VanDerWaalsContact CA-OD1 3.28Å; N174-D294 WeakPolarHBondContact CA-OD1 3.25Å; N174-D294 PolarHBondContact OD1-N 2.94Å; N174-D294 VanDerWaalsContact OD1-N 3.12Å; R175-D294 PolarHBondContact N-OD1 3.26Å; R175-D294 PolarHBondContact N-OD2 3.01Å; Q176-D294 PolarHBondContact N-OD1 3.29Å; Q176-D294 VanDerWaalsContact N-OD1 3.09Å; Q176-D294 PolarHBondContact N-OD2 3.12Å; T177-D294 WeakPolarHBondContact CB-OD1 3.44Å; T177-D294 PolarHBondContact N-OD1 3.36Å; T177-D294 WeakPolarHBondContact OG1-CA 3.03Å; T177-D294 PolarHBondContact OG1-N 3.31Å; T177-D294 PolarHBondContact OG1-OD1 3.27Å; N291-D294 HydrophobicContact CB-CB 4.39Å; N291-D294 WeakPolarHBondContact O-CB 3.39Å; N291-D294 PolarHBondContact O-N 2.93Å; N291-D294 VanDerWaalsContact O-N 3.09Å; D294-L297 PolarHBondContact O-N 3.25Å; D294-Y298 WeakPolarHBondContact O-CB 3.24Å; D294-Y298 PolarHBondContact O-N 3.35Å
295I98.5Very high97.7Very high31 Ų3130.1 Ų30.116%0.15914%0.142CC..Hα-helixtrans-61.2-54.1173.2-64.5169.3000110.1P108 I109 Q288 N291 R292 L293 L297 Y298 D299P108-I295 HydrophobicContact CB-CG1 4.11Å; P108-I295 HydrophobicContact CG-CG1 4.18Å; I109-I295 HydrophobicContact CD1-CD1 4.11Å; Q288-I295 HydrophobicContact CB-CD1 4.06Å; Q288-I295 HydrophobicContact CG-CD1 4.25Å; Q288-I295 WeakPolarHBondContact O-CD1 3.48Å; N291-I295 WeakPolarHBondContact O-CG1 3.29Å; N291-I295 PolarHBondContact O-N 3.33Å; R292-I295 WeakPolarHBondContact O-CB 3.41Å; R292-I295 PolarHBondContact O-N 2.87Å; L293-I295 VanDerWaalsContact C-N 3.26Å; L293-I295 PolarHBondContact O-N 3.17Å; I295-L297 VanDerWaalsContact C-N 3.28Å; I295-L297 PolarHBondContact O-N 3.37Å; I295-Y298 PolarHBondContact O-N 3.29Å; I295-Y298 VanDerWaalsContact O-N 3.16Å; I295-D299 PolarHBondContact O-N 2.85Å
296F98.4Very high97.6Very high29 Ų2925.7 Ų25.713%0.12712%0.121CC..Hα-helixtrans-61.4-36178.4-72.8-59.6000113.2V201 L204 I207 L215 R292 L293 F300V201-F296 HydrophobicContact CG2-CE2 4.38Å; L204-F296 HydrophobicContact CD2-CB 4.2Å; L204-F296 HydrophobicContact CD2-CD1 3.68Å; L204-F296 HydrophobicContact CD2-CD2 4.08Å; L204-F296 HydrophobicContact CD2-CE1 3.98Å; L204-F296 HydrophobicContact CD2-CE2 4.35Å; L204-F296 HydrophobicContact CD2-CG 3.73Å; L204-F296 HydrophobicContact CD2-CZ 4.3Å; L204-F296 HydrophobicContact CG-CD1 4.39Å; L204-F296 HydrophobicContact CG-CE1 4.39Å; I207-F296 HydrophobicContact CD1-CD2 3.64Å; I207-F296 HydrophobicContact CD1-CE2 3.52Å; I207-F296 HydrophobicContact CD1-CZ 4.32Å; I207-F296 HydrophobicContact CG1-CE2 4.22Å; L215-F296 HydrophobicContact CD1-CB 4.18Å; L215-F296 HydrophobicContact CD2-CB 3.7Å; L215-F296 HydrophobicContact CD2-CD2 4.48Å; L215-F296 HydrophobicContact CD2-CG 4.34Å; R292-F296 HydrophobicContact CG-CD2 4.05Å; R292-F296 HydrophobicContact CG-CE2 3.62Å; R292-F296 WeakPolarHBondContact O-CD2 3.35Å; R292-F296 PolarHBondContact O-N 3.28Å; R292-F296 VanDerWaalsContact O-N 3.16Å; L293-F296 PolarHBondContact O-N 3.09Å; F296-F300 WeakPolarHBondContact O-CB 3.44Å; F296-F300 PolarHBondContact O-N 3.33Å
297L98.7Very high97.3Very high1 Ų127.5 Ų27.51%0.00513%0.126CC..Hα-helixtrans-67.8-45.4175.2-176.972.2000111Q176 L180 L215 A218 K219 L222 L293 D294 I295 F300 A301Q176-L297 HydrophobicContact CB-CD2 4.05Å; L180-L297 HydrophobicContact CD1-CD2 4.22Å; L215-L297 HydrophobicContact CD1-CB 3.81Å; L215-L297 HydrophobicContact CD1-CD1 4.27Å; A218-L297 HydrophobicContact CB-CD1 3.78Å; A218-L297 HydrophobicContact CB-CD2 4.31Å; K219-L297 HydrophobicContact CG-CD1 3.92Å; L222-L297 HydrophobicContact CD1-CD1 3.72Å; L222-L297 HydrophobicContact CD1-CG 4.16Å; L293-L297 WeakPolarHBondContact O-CB 3.44Å; L293-L297 PolarHBondContact O-N 2.95Å; D294-L297 PolarHBondContact O-N 3.25Å; I295-L297 VanDerWaalsContact C-N 3.28Å; I295-L297 PolarHBondContact O-N 3.37Å; L297-F300 WeakPolarHBondContact O-CB 2.94Å; L297-F300 PolarHBondContact O-N 2.86Å; L297-A301 VanDerWaalsContact O-CB 3.27Å; L297-A301 WeakPolarHBondContact O-CB 3.34Å; L297-A301 PolarHBondContact O-N 3.21Å
298Y98.5Very high97.2Very high15 Ų1529.1 Ų29.16%0.05913%0.132CC..Hα-helixtrans-66.7-39-177.4-174-100.9000111.4L105 R106 P108 L231 E233 D294 I295 A301 K302L105-Y298 HydrophobicContact CB-CD2 4.29Å; L105-Y298 HydrophobicContact CB-CE2 4.34Å; R106-Y298 VanDerWaalsContact O-CD2 3.31Å; R106-Y298 WeakPolarHBondContact O-CD2 3.46Å; P108-Y298 HydrophobicContact CG-CG 4.23Å; L231-Y298 HydrophobicContact CD2-CE2 3.85Å; E233-Y298 PolarHBondContact OE2-OH 3.04Å; D294-Y298 WeakPolarHBondContact O-CB 3.24Å; D294-Y298 PolarHBondContact O-N 3.35Å; I295-Y298 PolarHBondContact O-N 3.29Å; I295-Y298 VanDerWaalsContact O-N 3.16Å; Y298-A301 PolarHBondContact O-N 3.22Å; Y298-K302 WeakPolarHBondContact O-CB 3.23Å; Y298-K302 PolarHBondContact O-N 3.05Å
299D96.5Very high97.1Very high79 Ų7926.7 Ų26.742%0.42212%0.121SC..Hα-helixtrans-62-44173.6-73.4-21.5000111.9I295 K302 Q303I295-D299 PolarHBondContact O-N 2.85Å; D299-K302 PolarHBondContact O-N 2.86Å; D299-Q303 WeakPolarHBondContact O-CG 3.28Å; D299-Q303 PolarHBondContact O-N 2.86Å; D299-Q303 VanDerWaalsContact O-N 3.11Å
300F97.3Very high97Very high54 Ų5425.4 Ų25.424%0.23711%0.114CC..Hα-helixtrans-63.5-43.3172.8172.7-95000112.1K219 L222 V223 F296 L297 K302 Q303 L304K219-F300 HydrophobicContact CB-CD1 4.09Å; K219-F300 HydrophobicContact CB-CE1 3.81Å; K219-F300 HydrophobicContact CB-CZ 4.17Å; K219-F300 HydrophobicContact CD-CB 4.37Å; K219-F300 HydrophobicContact CD-CD1 4.17Å; K219-F300 HydrophobicContact CD-CD2 4.12Å; K219-F300 HydrophobicContact CD-CE2 4.47Å; K219-F300 HydrophobicContact CD-CG 3.94Å; K219-F300 HydrophobicContact CG-CB 4.45Å; K219-F300 HydrophobicContact CG-CD1 3.61Å; K219-F300 HydrophobicContact CG-CD2 4.45Å; K219-F300 HydrophobicContact CG-CE1 3.88Å; K219-F300 HydrophobicContact CG-CG 3.91Å; K219-F300 HydrophobicContact CG-CZ 4.41Å; L222-F300 HydrophobicContact CB-CE1 4.5Å; V223-F300 HydrophobicContact CG2-CE1 4.03Å; V223-F300 HydrophobicContact CG2-CZ 3.59Å; F296-F300 WeakPolarHBondContact O-CB 3.44Å; F296-F300 PolarHBondContact O-N 3.33Å; L297-F300 WeakPolarHBondContact O-CB 2.94Å; L297-F300 PolarHBondContact O-N 2.86Å; F300-K302 VanDerWaalsContact C-N 3.33Å; F300-K302 PolarHBondContact O-N 3.05Å; F300-Q303 WeakPolarHBondContact O-CB 3.44Å; F300-Q303 PolarHBondContact O-N 3.17Å; F300-L304 HydrophobicContact CE1-CD2 4.13Å; F300-L304 HydrophobicContact CZ-CD2 4.46Å; F300-L304 PolarHBondContact O-N 3.2Å
301A98.1Very high96.8Very high0 Ų028.3 Ų28.30%013%0.13CC..Hα-helixtrans-66.8-35.9179.900000111.5L105 L222 Y229 L297 Y298 Q303 F305L105-A301 HydrophobicContact CD1-CB 3.49Å; L105-A301 VanDerWaalsContact CD1-CB 3.49Å; L222-A301 HydrophobicContact CD1-CB 3.89Å; Y229-A301 HydrophobicContact CE2-CB 4.11Å; Y229-A301 PolarHBondContact OH-O 3.05Å; L297-A301 VanDerWaalsContact O-CB 3.27Å; L297-A301 WeakPolarHBondContact O-CB 3.34Å; L297-A301 PolarHBondContact O-N 3.21Å; Y298-A301 PolarHBondContact O-N 3.22Å; A301-Q303 VanDerWaalsContact C-N 3.31Å; A301-F305 WeakPolarHBondContact O-CB 3.03Å; A301-F305 PolarHBondContact O-N 2.89Å
302K96.1Very high96.7Very high52 Ų5231.7 Ų31.723%0.22614%0.143CC..Hα-helixtrans-63.7-40.7173-166.1176.1-175.9173.80110.8L231 Y234 Y298 D299 F300 F305 V306 L348L231-K302 HydrophobicContact CD1-CB 4.44Å; L231-K302 HydrophobicContact CD1-CG 4.25Å; Y234-K302 VanDerWaalsContact OH-CE 3.25Å; Y234-K302 WeakPolarHBondContact OH-CE 3.09Å; Y234-K302 PolarHBondContact OH-NZ 2.79Å; Y298-K302 WeakPolarHBondContact O-CB 3.23Å; Y298-K302 PolarHBondContact O-N 3.05Å; D299-K302 PolarHBondContact O-N 2.86Å; F300-K302 VanDerWaalsContact C-N 3.33Å; F300-K302 PolarHBondContact O-N 3.05Å; K302-F305 PolarHBondContact O-N 3.15Å; K302-V306 WeakPolarHBondContact O-CG2 3.49Å; K302-V306 PolarHBondContact O-N 3.46Å; K302-L348 HydrophobicContact CD-CD1 4.4Å; K302-L348 HydrophobicContact CG-CD1 4Å
303Q94.8Very high96.7Very high93 Ų9330.4 Ų30.444%0.43514%0.138SC..Hα-helixtrans-58-56.1173.4-75.3173.951.300113.4D299 F300 A301 F305 V306 Y307 Y340D299-Q303 WeakPolarHBondContact O-CG 3.28Å; D299-Q303 PolarHBondContact O-N 2.86Å; D299-Q303 VanDerWaalsContact O-N 3.11Å; F300-Q303 WeakPolarHBondContact O-CB 3.44Å; F300-Q303 PolarHBondContact O-N 3.17Å; A301-Q303 VanDerWaalsContact C-N 3.31Å; Q303-F305 VanDerWaalsContact C-N 3.26Å; Q303-F305 PolarHBondContact O-N 3.07Å; Q303-V306 PolarHBondContact O-N 3.41Å; Q303-Y307 PolarHBondContact O-N 3.05Å; Q303-Y307 VanDerWaalsContact O-N 3.11Å; Q303-Y340 HydrophobicContact CB-CD2 4.37Å; Q303-Y340 HydrophobicContact CB-CE1 4.42Å; Q303-Y340 HydrophobicContact CB-CE2 3.99Å; Q303-Y340 HydrophobicContact CG-CD1 3.75Å; Q303-Y340 HydrophobicContact CG-CD2 4.12Å; Q303-Y340 HydrophobicContact CG-CE1 3.29Å; Q303-Y340 HydrophobicContact CG-CE2 3.7Å; Q303-Y340 HydrophobicContact CG-CG 4.14Å; Q303-Y340 PolarHBondContact N-OH 3.25Å
304L95.9Very high96.5Very high23 Ų2331.3 Ų31.312%0.1214%0.143CC..Hα-helixtrans-62.6-34.8178.7179.262000111.9L222 V223 Y229 F300 Y307 R308L222-L304 HydrophobicContact CB-CD2 4.28Å; V223-L304 HydrophobicContact CG2-CD2 3.92Å; Y229-L304 HydrophobicContact CE1-CD2 4.19Å; Y229-L304 WeakPolarHBondContact OH-CB 3.34Å; F300-L304 HydrophobicContact CE1-CD2 4.13Å; F300-L304 HydrophobicContact CZ-CD2 4.46Å; F300-L304 PolarHBondContact O-N 3.2Å; L304-Y307 PolarHBondContact O-N 2.91Å; L304-R308 HydrophobicContact CD1-CG 4.32Å; L304-R308 WeakPolarHBondContact O-CB 3.44Å; L304-R308 WeakPolarHBondContact O-CG 3.39Å; L304-R308 PolarHBondContact O-N 3.23Å
305F96.9Very high96.3Very high2 Ų239.1 Ų39.11%0.00918%0.177CC..Hα-helixtrans-64.4-48.1178.3-179.4-92.1000111.6Y229 L231 I241 A301 K302 Q303 Y307 R308 L309Y229-F305 HydrophobicContact CD2-CD2 4.37Å; Y229-F305 HydrophobicContact CE2-CB 3.98Å; Y229-F305 HydrophobicContact CE2-CD2 4.02Å; Y229-F305 HydrophobicContact CE2-CG 4.48Å; Y229-F305 PolarHBondContact OH-N 3.01Å; Y229-F305 VanDerWaalsContact OH-N 3.15Å; L231-F305 HydrophobicContact CD1-CB 3.95Å; L231-F305 HydrophobicContact CD1-CD1 3.74Å; L231-F305 HydrophobicContact CD1-CD2 4.2Å; L231-F305 HydrophobicContact CD1-CE1 4.27Å; L231-F305 HydrophobicContact CD1-CG 3.7Å; L231-F305 HydrophobicContact CG-CB 4.41Å; L231-F305 HydrophobicContact CG-CD1 4.31Å; L231-F305 HydrophobicContact CG-CD2 3.93Å; L231-F305 HydrophobicContact CG-CE2 4.23Å; L231-F305 HydrophobicContact CG-CG 3.97Å; I241-F305 HydrophobicContact CB-CE2 4.45Å; I241-F305 HydrophobicContact CD1-CD1 4.32Å; I241-F305 HydrophobicContact CD1-CD2 3.68Å; I241-F305 HydrophobicContact CD1-CE1 4.02Å; I241-F305 HydrophobicContact CD1-CE2 3.32Å; I241-F305 HydrophobicContact CD1-CG 4.18Å; I241-F305 HydrophobicContact CD1-CZ 3.51Å; I241-F305 HydrophobicContact CG1-CE2 4.37Å; I241-F305 HydrophobicContact CG1-CZ 4.5Å; A301-F305 WeakPolarHBondContact O-CB 3.03Å; A301-F305 PolarHBondContact O-N 2.89Å; K302-F305 PolarHBondContact O-N 3.15Å; Q303-F305 VanDerWaalsContact C-N 3.26Å; Q303-F305 PolarHBondContact O-N 3.07Å; F305-Y307 VanDerWaalsContact C-N 3.32Å; F305-Y307 PolarHBondContact O-N 3.44Å; F305-R308 PolarHBondContact O-N 3.1Å; F305-L309 HydrophobicContact CE1-CD2 4.14Å; F305-L309 VanDerWaalsContact O-CB 3.22Å; F305-L309 WeakPolarHBondContact O-CB 3.46Å; F305-L309 PolarHBondContact O-N 3.31Å
306V95.2Very high96.2Very high1 Ų138 Ų381%0.00617%0.171CC..Hα-helixtrans-62.5-42.1176.6172.40000110.8K302 Q303 R308 L309 V310 Y340 L343 L348K302-V306 WeakPolarHBondContact O-CG2 3.49Å; K302-V306 PolarHBondContact O-N 3.46Å; Q303-V306 PolarHBondContact O-N 3.41Å; V306-R308 PolarHBondContact O-N 2.85Å; V306-L309 PolarHBondContact O-N 3Å; V306-V310 HydrophobicContact CG1-CG2 4.16Å; V306-V310 WeakPolarHBondContact O-CB 3.49Å; V306-V310 VanDerWaalsContact O-CG2 3.28Å; V306-V310 WeakPolarHBondContact O-CG2 3.29Å; V306-V310 PolarHBondContact O-N 3.46Å; V306-Y340 HydrophobicContact CB-CD2 4.07Å; V306-Y340 HydrophobicContact CB-CE2 3.71Å; V306-Y340 HydrophobicContact CG1-CD2 4.14Å; V306-Y340 HydrophobicContact CG1-CE2 4.15Å; V306-Y340 HydrophobicContact CG2-CE2 3.81Å; V306-L343 HydrophobicContact CG1-CB 3.7Å; V306-L348 HydrophobicContact CG2-CD1 3.51Å; V306-L348 HydrophobicContact CG2-CG 4.11Å
307Y93.1Very high96Very high94 Ų9441.5 Ų41.537%0.36920%0.199SC..Hα-helixtrans-57.7-50.9176.6177.4-98.5000111.7Q303 L304 F305 N311 W331 R334Q303-Y307 PolarHBondContact O-N 3.05Å; Q303-Y307 VanDerWaalsContact O-N 3.11Å; L304-Y307 PolarHBondContact O-N 2.91Å; F305-Y307 VanDerWaalsContact C-N 3.32Å; F305-Y307 PolarHBondContact O-N 3.44Å; Y307-N311 WeakPolarHBondContact O-CB 3.42Å; Y307-N311 PolarHBondContact O-N 3.46Å; Y307-W331 AromaticContact CD2-CH2 3.1Å; Y307-W331 HydrophobicContact CD2-CH2 3.1Å; Y307-W331 HydrophobicContact CD2-CZ2 4Å; Y307-W331 AromaticContact CD2-CZ3 3.52Å; Y307-W331 HydrophobicContact CD2-CZ3 3.52Å; Y307-W331 AromaticContact CE2-CH2 2.99Å; Y307-W331 HydrophobicContact CE2-CH2 2.99Å; Y307-W331 AromaticContact CE2-CZ2 3.42Å; Y307-W331 HydrophobicContact CE2-CZ2 3.42Å; Y307-W331 VanDerWaalsContact CE2-CZ2 3.42Å; Y307-W331 AromaticContact CE2-CZ3 3.85Å; Y307-W331 HydrophobicContact CE2-CZ3 3.85Å; Y307-W331 AromaticContact CG-CH2 3.97Å; Y307-W331 HydrophobicContact CG-CH2 3.97Å; Y307-W331 HydrophobicContact CG-CZ3 4.37Å; Y307-W331 AromaticContact CZ-CH2 3.82Å; Y307-R334 VanDerWaalsContact CD2-NH2 3.26Å; Y307-R334 VanDerWaalsContact CE2-NH1 3.33Å
308R95.4Very high95.9Very high33 Ų3344.8 Ų44.813%0.12522%0.217CC..Hα-helixtrans-62.9-42.8177.4-72.3176.6173.9172.82.2111.8L222 V223 I226 N227 L304 F305 V306 N311 Y312L222-R308 PolarHBondContact O-NH1 3.33Å; L222-R308 PolarHBondContact O-NH2 3.49Å; V223-R308 PolarHBondContact O-NH2 2.72Å; I226-R308 PolarHBondContact O-NH1 3.25Å; N227-R308 PolarHBondContact O-NH1 2.62Å; L304-R308 HydrophobicContact CD1-CG 4.32Å; L304-R308 WeakPolarHBondContact O-CB 3.44Å; L304-R308 WeakPolarHBondContact O-CG 3.39Å; L304-R308 PolarHBondContact O-N 3.23Å; F305-R308 PolarHBondContact O-N 3.1Å; V306-R308 PolarHBondContact O-N 2.85Å; R308-N311 PolarHBondContact O-N 2.54Å; R308-Y312 WeakPolarHBondContact O-CD2 3.16Å; R308-Y312 PolarHBondContact O-N 3.05Å
309L96.3Very high95.8Very high0 Ų044 Ų440%021%0.214CC..Hα-helixtrans-58.7-54.7178.5179.657.9000110.7Y237 Y240 I241 F305 V306 N311 Y312 L313 L347Y237-L309 HydrophobicContact CD1-CD1 4.33Å; Y237-L309 HydrophobicContact CD1-CD2 3.82Å; Y237-L309 HydrophobicContact CD2-CD2 4.27Å; Y237-L309 HydrophobicContact CE1-CD2 4.41Å; Y237-L309 HydrophobicContact CG-CD2 3.75Å; Y240-L309 HydrophobicContact CD1-CD1 3.7Å; Y240-L309 HydrophobicContact CE1-CD1 4.19Å; I241-L309 HydrophobicContact CD1-CB 3.57Å; I241-L309 HydrophobicContact CD1-CD1 3.93Å; I241-L309 HydrophobicContact CD1-CG 4.26Å; I241-L309 HydrophobicContact CG1-CB 4.28Å; I241-L309 HydrophobicContact CG1-CD1 3.83Å; F305-L309 HydrophobicContact CE1-CD2 4.14Å; F305-L309 VanDerWaalsContact O-CB 3.22Å; F305-L309 WeakPolarHBondContact O-CB 3.46Å; F305-L309 PolarHBondContact O-N 3.31Å; V306-L309 PolarHBondContact O-N 3Å; L309-N311 VanDerWaalsContact C-N 3.28Å; L309-N311 PolarHBondContact O-N 3.01Å; L309-Y312 PolarHBondContact O-N 3.27Å; L309-Y312 VanDerWaalsContact O-N 3.16Å; L309-L313 HydrophobicContact CD1-CD1 3.95Å; L309-L313 HydrophobicContact CD1-CG 4.06Å; L309-L313 HydrophobicContact CG-CD1 3.82Å; L309-L313 HydrophobicContact CG-CG 4.31Å; L309-L313 VanDerWaalsContact O-CG 3.24Å; L309-L313 WeakPolarHBondContact O-CG 3.08Å; L309-L313 PolarHBondContact O-N 3.1Å; L309-L347 HydrophobicContact CD2-CD1 4.05Å
310V95.2Very high95.9Very high0 Ų042.2 Ų42.20%021%0.206CC..Hα-helixtrans-60.3-41.9-178.6173.40000110.6V306 Y312 L313 L314 L327 W331 L343 L347V306-V310 HydrophobicContact CG1-CG2 4.16Å; V306-V310 WeakPolarHBondContact O-CB 3.49Å; V306-V310 VanDerWaalsContact O-CG2 3.28Å; V306-V310 WeakPolarHBondContact O-CG2 3.29Å; V306-V310 PolarHBondContact O-N 3.46Å; V310-Y312 PolarHBondContact O-N 3.07Å; V310-L313 PolarHBondContact O-N 2.89Å; V310-L313 VanDerWaalsContact O-N 3.16Å; V310-L314 HydrophobicContact CG1-CD1 3.83Å; V310-L314 HydrophobicContact CG1-CG 4.06Å; V310-L314 WeakPolarHBondContact O-CG 3.39Å; V310-L314 PolarHBondContact O-N 3.14Å; V310-L327 HydrophobicContact CG1-CB 4.43Å; V310-L327 HydrophobicContact CG2-CD2 4.43Å; V310-W331 HydrophobicContact CB-CE3 3.95Å; V310-W331 HydrophobicContact CB-CZ3 3.73Å; V310-W331 HydrophobicContact CG1-CB 4.49Å; V310-W331 HydrophobicContact CG1-CD2 3.97Å; V310-W331 HydrophobicContact CG1-CE3 3.35Å; V310-W331 HydrophobicContact CG1-CG 4.49Å; V310-W331 HydrophobicContact CG1-CH2 4.45Å; V310-W331 HydrophobicContact CG1-CZ3 3.64Å; V310-L343 HydrophobicContact CG1-CD2 4.42Å; V310-L343 HydrophobicContact CG2-CB 4.49Å; V310-L343 HydrophobicContact CG2-CD1 4.25Å; V310-L343 HydrophobicContact CG2-CD2 4Å; V310-L343 HydrophobicContact CG2-CG 4.46Å; V310-L347 HydrophobicContact CG2-CD1 3.6Å
311N94Very high95.8Very high60 Ų6044.4 Ų44.432%0.32122%0.22SC..Hα-helixtrans-56.3-51.3174.8-170.366.2000111.6Y307 R308 L309 L313 L314 F315 W331Y307-N311 WeakPolarHBondContact O-CB 3.42Å; Y307-N311 PolarHBondContact O-N 3.46Å; R308-N311 PolarHBondContact O-N 2.54Å; L309-N311 VanDerWaalsContact C-N 3.28Å; L309-N311 PolarHBondContact O-N 3.01Å; N311-L313 VanDerWaalsContact C-N 3.3Å; N311-L313 PolarHBondContact O-N 3.33Å; N311-L314 PolarHBondContact O-N 3.43Å; N311-F315 WeakPolarHBondContact O-CD2 3.28Å; N311-F315 PolarHBondContact O-N 3.23Å; N311-F315 WeakPolarHBondContact OD1-CE2 3.46Å; N311-W331 HydrophobicContact CB-CH2 4.44Å
312Y96.5Very high95.7Very high71 Ų7150.2 Ų50.228%0.27825%0.247SC..Hα-helixtrans-59.4-41.2175.7-75-60.7000112.8I241 K244 C245 R308 L309 V310 D316I241-Y312 HydrophobicContact CG1-CD2 4.29Å; I241-Y312 HydrophobicContact CG2-CE2 4.38Å; K244-Y312 HydrophobicContact CB-CD1 3.79Å; K244-Y312 HydrophobicContact CB-CD2 4.41Å; K244-Y312 HydrophobicContact CB-CE1 3.88Å; K244-Y312 HydrophobicContact CB-CE2 4.49Å; K244-Y312 HydrophobicContact CB-CG 4.07Å; K244-Y312 HydrophobicContact CG-CD1 4.31Å; K244-Y312 HydrophobicContact CG-CG 4.42Å; C245-Y312 WeakPolarHBondContact CA-OH 3.01Å; C245-Y312 HydrophobicContact CB-CE2 4.41Å; C245-Y312 WeakPolarHBondContact CB-OH 3.25Å; R308-Y312 WeakPolarHBondContact O-CD2 3.16Å; R308-Y312 PolarHBondContact O-N 3.05Å; L309-Y312 PolarHBondContact O-N 3.27Å; L309-Y312 VanDerWaalsContact O-N 3.16Å; V310-Y312 PolarHBondContact O-N 3.07Å; Y312-D316 VanDerWaalsContact O-CB 3.24Å; Y312-D316 WeakPolarHBondContact O-CB 3.37Å; Y312-D316 PolarHBondContact O-N 3.29Å; Y312-D316 VanDerWaalsContact O-N 3.1Å
313L96.9Very high95.7Very high0 Ų048.5 Ų48.50%024%0.24CC..Hα-helixtrans-66.5-39.7-177.8-70177.7000113.2Y240 L309 V310 N311 F315 I319 R324 L327 L347 F369Y240-L313 HydrophobicContact CD1-CD2 4.2Å; Y240-L313 HydrophobicContact CE1-CD2 3.52Å; Y240-L313 HydrophobicContact CE1-CG 4.12Å; Y240-L313 HydrophobicContact CE2-CD2 4.17Å; L309-L313 HydrophobicContact CD1-CD1 3.95Å; L309-L313 HydrophobicContact CD1-CG 4.06Å; L309-L313 HydrophobicContact CG-CD1 3.82Å; L309-L313 HydrophobicContact CG-CG 4.31Å; L309-L313 VanDerWaalsContact O-CG 3.24Å; L309-L313 WeakPolarHBondContact O-CG 3.08Å; L309-L313 PolarHBondContact O-N 3.1Å; V310-L313 PolarHBondContact O-N 2.89Å; V310-L313 VanDerWaalsContact O-N 3.16Å; N311-L313 VanDerWaalsContact C-N 3.3Å; N311-L313 PolarHBondContact O-N 3.33Å; L313-F315 VanDerWaalsContact C-N 3.33Å; L313-F315 PolarHBondContact O-N 2.84Å; L313-I319 HydrophobicContact CD2-CD1 3.95Å; L313-I319 HydrophobicContact CD2-CG1 4.01Å; L313-R324 WeakPolarHBondContact O-CD 3.31Å; L313-L327 HydrophobicContact CB-CD1 4.04Å; L313-L327 HydrophobicContact CD1-CD1 3.76Å; L313-L347 HydrophobicContact CD1-CD2 4.33Å; L313-F369 HydrophobicContact CD1-CE1 3.6Å; L313-F369 HydrophobicContact CD1-CZ 3.63Å; L313-F369 HydrophobicContact CD2-CE1 4.26Å; L313-F369 HydrophobicContact CD2-CZ 3.58Å; L313-F369 HydrophobicContact CG-CZ 4.21Å
314L95.1Very high95.8Very high19 Ų1947.1 Ų47.110%0.09923%0.23CC..Hα-helixtrans-65.5-38.1-179.4-71.1176.7000112V310 N311 R324 L327 H328 W331V310-L314 HydrophobicContact CG1-CD1 3.83Å; V310-L314 HydrophobicContact CG1-CG 4.06Å; V310-L314 WeakPolarHBondContact O-CG 3.39Å; V310-L314 PolarHBondContact O-N 3.14Å; N311-L314 PolarHBondContact O-N 3.43Å; L314-R324 WeakPolarHBondContact O-CD 3.4Å; L314-R324 PolarHBondContact O-NH1 3.3Å; L314-L327 HydrophobicContact CD2-CB 4.05Å; L314-H328 HydrophobicContact CD2-CB 3.8Å; L314-W331 HydrophobicContact CD1-CB 4.24Å; L314-W331 HydrophobicContact CD1-CD2 4.27Å; L314-W331 HydrophobicContact CD1-CG 3.95Å
315F94.4Very high95.7Very high164 Ų16454 Ų5472%0.71926%0.255SS*.Hα-helixtrans-92.5-2.5-177.8-64.9-70.1000114.5N311 L313 S317N311-F315 WeakPolarHBondContact O-CD2 3.28Å; N311-F315 PolarHBondContact O-N 3.23Å; N311-F315 WeakPolarHBondContact OD1-CE2 3.46Å; L313-F315 VanDerWaalsContact C-N 3.33Å; L313-F315 PolarHBondContact O-N 2.84Å; F315-S317 PolarHBondContact O-N 3.01Å
316D96Very high95.6Very high8 Ų856 Ų564%0.04327%0.268CS..  trans-88.4109.1177.8-174.89.7000111.3Y240 K244 Y312 N318 I319Y240-D316 VanDerWaalsContact OH-CB 3.26Å; Y240-D316 WeakPolarHBondContact OH-CB 3.17Å; Y240-D316 PolarHBondContact OH-OD2 2.97Å; K244-D316 WeakPolarHBondContact CE-OD2 3.47Å; K244-D316 IonicContact NZ-OD1 2.88Å; K244-D316 PolarHBondContact NZ-OD1 3.01Å; K244-D316 VanDerWaalsContact NZ-OD1 3.15Å; K244-D316 IonicContact NZ-OD2 3Å; K244-D316 PolarHBondContact NZ-OD2 3.26Å; Y312-D316 VanDerWaalsContact O-CB 3.24Å; Y312-D316 WeakPolarHBondContact O-CB 3.37Å; Y312-D316 PolarHBondContact O-N 3.29Å; Y312-D316 VanDerWaalsContact O-N 3.1Å; D316-N318 PolarHBondContact O-N 3.04Å; D316-N318 VanDerWaalsContact O-N 3.13Å; D316-N318 WeakPolarHBondContact OD1-CB 3.21Å; D316-N318 PolarHBondContact OD1-N 3.03Å; D316-N318 VanDerWaalsContact OD1-N 3.14Å; D316-N318 PolarHBondContact OD1-ND2 3.14Å; D316-I319 HydrophobicContact CB-CG1 3.74Å; D316-I319 WeakPolarHBondContact O-CB 3.3Å; D316-I319 PolarHBondContact O-N 3.26Å
317S95.4Very high95.5Very high102 Ų10256 Ų5671%0.71327%0.268SS*.THydrogen-bonded Turntrans-60.1-21.3177.757.20000113.7F315 I319F315-S317 PolarHBondContact O-N 3.01Å; S317-I319 PolarHBondContact O-N 2.94Å
318N96.4Very high95.4Very high70 Ų7055.9 Ų55.937%0.37427%0.271SS..THydrogen-bonded Turntrans-71.9-13.7174.6-60.3-79000112.8D316 P320 F372 L376 K380D316-N318 PolarHBondContact O-N 3.04Å; D316-N318 VanDerWaalsContact O-N 3.13Å; D316-N318 WeakPolarHBondContact OD1-CB 3.21Å; D316-N318 PolarHBondContact OD1-N 3.03Å; D316-N318 VanDerWaalsContact OD1-N 3.14Å; D316-N318 PolarHBondContact OD1-ND2 3.14Å; N318-P320 WeakPolarHBondContact O-CD 3.43Å; N318-F372 WeakPolarHBondContact O-CZ 3.43Å; N318-L376 HydrophobicContact CB-CD1 4Å; N318-L376 HydrophobicContact CB-CD2 4.26Å; N318-K380 PolarHBondContact ND2-NZ 3.39Å
319I97.3Very high95.3Very high0 Ų058.9 Ų58.90%029%0.293CS..SBendtrans-90.8118.1179.7-50-59.8000109.1Y240 L313 D316 S317 F323 R324 F369 F372 L373 L376Y240-I319 HydrophobicContact CE2-CD1 4.19Å; L313-I319 HydrophobicContact CD2-CD1 3.95Å; L313-I319 HydrophobicContact CD2-CG1 4.01Å; D316-I319 HydrophobicContact CB-CG1 3.74Å; D316-I319 WeakPolarHBondContact O-CB 3.3Å; D316-I319 PolarHBondContact O-N 3.26Å; S317-I319 PolarHBondContact O-N 2.94Å; I319-F323 HydrophobicContact CG2-CB 3.96Å; I319-R324 HydrophobicContact CB-CG 3.91Å; I319-R324 HydrophobicContact CG2-CG 3.63Å; I319-R324 PolarHBondContact O-NE 2.96Å; I319-F369 HydrophobicContact CG2-CE2 4.12Å; I319-F372 HydrophobicContact CD1-CE1 3.8Å; I319-L373 HydrophobicContact CD1-CD2 3.97Å; I319-L376 HydrophobicContact CD1-CD2 3.93Å
320P97.3Very high95Very high40 Ų4060.6 Ų60.626%0.2630%0.302SS..  trans-56.3148.7178.7-2834.5000113.4N318 H322 F323 R324 F372N318-P320 WeakPolarHBondContact O-CD 3.43Å; P320-H322 WeakPolarHBondContact CB-CE1 3.43Å; P320-H322 WeakPolarHBondContact CB-ND1 3.11Å; P320-H322 PolarHBondContact O-N 3.39Å; P320-F323 HydrophobicContact CB-CD2 4.3Å; P320-F323 HydrophobicContact CG-CD2 4.23Å; P320-F323 PolarHBondContact O-N 3.49Å; P320-R324 PolarHBondContact O-N 3.4Å; P320-R324 VanDerWaalsContact O-N 3.11Å; P320-F372 HydrophobicContact CG-CD2 4.47Å; P320-F372 HydrophobicContact CG-CE2 3.75Å; P320-F372 HydrophobicContact CG-CZ 3.88Å
321L96.2Very high94.7Very high100 Ų10062 Ų6252%0.52431%0.307SS..Hα-helixtrans-57.1-35.2-179.6-70.3174.6000113F323 R324 R325L321-F323 PolarHBondContact O-N 3.17Å; L321-R324 PolarHBondContact O-N 3.08Å; L321-R325 WeakPolarHBondContact O-CB 3.42Å; L321-R325 VanDerWaalsContact O-CG 3.28Å; L321-R325 WeakPolarHBondContact O-CG 3.05Å; L321-R325 PolarHBondContact O-N 2.79Å
322H95.6Very high94.3Very high123 Ų12364.7 Ų64.757%0.56932%0.317SS*.Hα-helixtrans-66.9-23.7179.766.6-98.3000113.5P320 P326P320-H322 WeakPolarHBondContact CB-CE1 3.43Å; P320-H322 WeakPolarHBondContact CB-ND1 3.11Å; P320-H322 PolarHBondContact O-N 3.39Å; H322-P326 WeakPolarHBondContact O-CD 3.49Å
323F96.9Very high93.5Very high16 Ų1664.4 Ų64.47%0.0733%0.326CS..Hα-helixtrans-86.5-35.7170-71.8-59.8000112.1I319 P320 L321 L327 F365 R368 F369 F372I319-F323 HydrophobicContact CG2-CB 3.96Å; P320-F323 HydrophobicContact CB-CD2 4.3Å; P320-F323 HydrophobicContact CG-CD2 4.23Å; P320-F323 PolarHBondContact O-N 3.49Å; L321-F323 PolarHBondContact O-N 3.17Å; F323-L327 WeakPolarHBondContact O-CG 3.47Å; F323-F365 HydrophobicContact CD1-CD2 4.41Å; F323-F365 AromaticContact CD1-CE2 3.82Å; F323-F365 HydrophobicContact CD1-CE2 3.82Å; F323-F365 HydrophobicContact CD1-CZ 4.01Å; F323-R368 HydrophobicContact CE1-CB 4.22Å; F323-R368 HydrophobicContact CZ-CB 4.32Å; F323-F369 HydrophobicContact CB-CD2 3.96Å; F323-F369 HydrophobicContact CB-CE2 3.96Å; F323-F369 HydrophobicContact CD1-CB 4.04Å; F323-F369 AromaticContact CD1-CD2 3.47Å; F323-F369 HydrophobicContact CD1-CD2 3.47Å; F323-F369 VanDerWaalsContact CD1-CD2 3.47Å; F323-F369 HydrophobicContact CD1-CE2 4.32Å; F323-F369 HydrophobicContact CD1-CG 4.1Å; F323-F369 AromaticContact CD2-CD2 3.98Å; F323-F369 HydrophobicContact CD2-CD2 3.98Å; F323-F369 HydrophobicContact CD2-CE2 4.35Å; F323-F369 HydrophobicContact CE1-CB 3.84Å; F323-F369 AromaticContact CE1-CD2 3.86Å; F323-F369 HydrophobicContact CE1-CD2 3.86Å; F323-F369 HydrophobicContact CE1-CG 4.32Å; F323-F369 HydrophobicContact CE2-CD2 4.31Å; F323-F369 AromaticContact CG-CD2 3.55Å; F323-F369 HydrophobicContact CG-CD2 3.55Å; F323-F369 AromaticContact CG-CE2 3.98Å; F323-F369 HydrophobicContact CG-CE2 3.98Å; F323-F369 HydrophobicContact CZ-CD2 4.26Å; F323-F372 HydrophobicContact CD2-CD1 4.19Å; F323-F372 HydrophobicContact CD2-CG 4.14Å; F323-F372 HydrophobicContact CE2-CB 3.66Å; F323-F372 HydrophobicContact CE2-CD1 4.08Å; F323-F372 AromaticContact CE2-CD2 3.95Å; F323-F372 HydrophobicContact CE2-CD2 3.95Å; F323-F372 AromaticContact CE2-CG 3.59Å; F323-F372 HydrophobicContact CE2-CG 3.59Å; F323-F372 HydrophobicContact CZ-CB 3.91Å; F323-F372 HydrophobicContact CZ-CG 4.35Å
324R95.8Very high92Very high63 Ų6370.6 Ų70.624%0.23835%0.349CS..Hα-helixtrans-72.2-37.1179.5-69.3-166.1-76.9158.5-2.8113.4L313 L314 I319 P320 L321 L327 H328L313-R324 WeakPolarHBondContact O-CD 3.31Å; L314-R324 WeakPolarHBondContact O-CD 3.4Å; L314-R324 PolarHBondContact O-NH1 3.3Å; I319-R324 HydrophobicContact CB-CG 3.91Å; I319-R324 HydrophobicContact CG2-CG 3.63Å; I319-R324 PolarHBondContact O-NE 2.96Å; P320-R324 PolarHBondContact O-N 3.4Å; P320-R324 VanDerWaalsContact O-N 3.11Å; L321-R324 PolarHBondContact O-N 3.08Å; R324-L327 WeakPolarHBondContact O-CB 3.4Å; R324-L327 PolarHBondContact O-N 3.41Å; R324-H328 WeakPolarHBondContact O-CB 3.5Å; R324-H328 PolarHBondContact O-N 2.64Å
325R94.8Very high90.2Very high167 Ų16778.1 Ų78.163%0.6339%0.389SS*.Hα-helixtrans-57.3-51.7-176.2-80.8176.7-179.7-179.90.4112.8L321 L327 H328 T329L321-R325 WeakPolarHBondContact O-CB 3.42Å; L321-R325 VanDerWaalsContact O-CG 3.28Å; L321-R325 WeakPolarHBondContact O-CG 3.05Å; L321-R325 PolarHBondContact O-N 2.79Å; R325-L327 VanDerWaalsContact C-N 3.31Å; R325-L327 PolarHBondContact O-N 3.48Å; R325-H328 WeakPolarHBondContact O-CB 3.16Å; R325-H328 PolarHBondContact O-N 3.36Å; R325-T329 PolarHBondContact O-N 2.86Å; R325-T329 PolarHBondContact O-OG1 2.91Å; R325-T329 VanDerWaalsContact O-OG1 3.05Å
326P93.2Very high88.5Confident45 Ų4580.5 Ų80.529%0.29239%0.393SS..Hα-helixtrans-59.5-40.3176.7-26.736.8000113.2H322 T329 I330 L346 F365H322-P326 WeakPolarHBondContact O-CD 3.49Å; P326-T329 PolarHBondContact O-N 3.07Å; P326-I330 WeakPolarHBondContact O-CG1 3.21Å; P326-I330 PolarHBondContact O-N 3.46Å; P326-I330 VanDerWaalsContact O-N 3.1Å; P326-L346 HydrophobicContact CB-CD2 3.99Å; P326-F365 HydrophobicContact CB-CE2 4.11Å; P326-F365 HydrophobicContact CG-CE2 3.93Å
327L93.9Very high86.9Confident0 Ų086 Ų860%043%0.432CS..Hα-helixtrans-63-45.3176.3-61.3174.9000111.2V310 L313 L314 F323 R324 R325 I330 W331 L343 L346 L347 F365V310-L327 HydrophobicContact CG1-CB 4.43Å; V310-L327 HydrophobicContact CG2-CD2 4.43Å; L313-L327 HydrophobicContact CB-CD1 4.04Å; L313-L327 HydrophobicContact CD1-CD1 3.76Å; L314-L327 HydrophobicContact CD2-CB 4.05Å; F323-L327 WeakPolarHBondContact O-CG 3.47Å; R324-L327 WeakPolarHBondContact O-CB 3.4Å; R324-L327 PolarHBondContact O-N 3.41Å; R325-L327 VanDerWaalsContact C-N 3.31Å; R325-L327 PolarHBondContact O-N 3.48Å; L327-I330 PolarHBondContact O-N 3.49Å; L327-W331 WeakPolarHBondContact O-CB 3.15Å; L327-W331 PolarHBondContact O-N 2.97Å; L327-L343 HydrophobicContact CD2-CD2 4.1Å; L327-L346 HydrophobicContact CD2-CD2 3.81Å; L327-L347 HydrophobicContact CD2-CD1 3.89Å; L327-L347 HydrophobicContact CD2-CD2 3.95Å; L327-L347 HydrophobicContact CD2-CG 3.9Å; L327-F365 HydrophobicContact CD2-CZ 4.48Å; L327-F365 HydrophobicContact CG-CZ 4.36Å
328H92Very high85.5Confident93 Ų9388.2 Ų88.243%0.43143%0.429SS..Hα-helixtrans-61.7-47177.9-177.1-85.2000111.2L314 R324 R325 I330 W331 H332L314-H328 HydrophobicContact CD2-CB 3.8Å; R324-H328 WeakPolarHBondContact O-CB 3.5Å; R324-H328 PolarHBondContact O-N 2.64Å; R325-H328 WeakPolarHBondContact O-CB 3.16Å; R325-H328 PolarHBondContact O-N 3.36Å; H328-I330 PolarHBondContact O-N 2.85Å; H328-W331 PolarHBondContact O-N 2.73Å; H328-H332 AromaticContact CD2-CD2 3.48Å; H328-H332 PolarHBondContact CD2-CD2 3.39Å; H328-H332 VanDerWaalsContact CD2-CD2 3.48Å; H328-H332 AromaticContact CD2-NE2 3.53Å; H328-H332 AromaticContact CE1-CD2 3.35Å; H328-H332 PolarHBondContact CE1-CD2 2.9Å; H328-H332 AromaticContact CE1-NE2 3.75Å; H328-H332 AromaticContact CG-CD2 3.7Å; H328-H332 AromaticContact ND1-CD2 3.61Å; H328-H332 AromaticContact NE2-CD2 3.28Å; H328-H332 PolarHBondContact NE2-CD2 2.92Å; H328-H332 VanDerWaalsContact NE2-CD2 3.28Å; H328-H332 AromaticContact NE2-NE2 3.22Å; H328-H332 PolarHBondContact NE2-NE2 3.02Å; H328-H332 PolarHBondContact O-CD2 3.33Å; H328-H332 VanDerWaalsContact O-CD2 3.27Å; H328-H332 PolarHBondContact O-N 2.91Å
329T91.8Very high84.3Confident96 Ų9685.2 Ų85.259%0.58941%0.413SS*.Hα-helixtrans-58.3-46.6178.6-58.80000111.9R325 P326 S333R325-T329 PolarHBondContact O-N 2.86Å; R325-T329 PolarHBondContact O-OG1 2.91Å; R325-T329 VanDerWaalsContact O-OG1 3.05Å; P326-T329 PolarHBondContact O-N 3.07Å; T329-S333 PolarHBondContact O-N 3.37Å; T329-S333 PolarHBondContact O-OG 3.18Å
330I90.5Very high83.5Confident36 Ų3688.3 Ų88.319%0.18543%0.425CS..Hα-helixtrans-71.9-34.8178.3-59.1169.4000111.2P326 L327 H328 S333 S339 C342 L343 L346P326-I330 WeakPolarHBondContact O-CG1 3.21Å; P326-I330 PolarHBondContact O-N 3.46Å; P326-I330 VanDerWaalsContact O-N 3.1Å; L327-I330 PolarHBondContact O-N 3.49Å; H328-I330 PolarHBondContact O-N 2.85Å; I330-S333 PolarHBondContact O-OG 3.03Å; I330-S339 PolarHBondContact O-OG 3.41Å; I330-C342 HydrophobicContact CD1-CB 4.43Å; I330-C342 HydrophobicContact CG2-CB 3.52Å; I330-L343 HydrophobicContact CB-CD2 3.82Å; I330-L343 HydrophobicContact CB-CG 4.25Å; I330-L343 HydrophobicContact CG2-CD2 3.78Å; I330-L343 HydrophobicContact CG2-CG 3.63Å; I330-L346 HydrophobicContact CD1-CB 4.35Å; I330-L346 HydrophobicContact CD1-CD2 3.64Å
331W89.3Confident83Confident29 Ų2991.6 Ų91.611%0.1144%0.439CS..Hα-helixtrans-64.7-43.3178.4-177.3-97.6000112.1Y307 V310 N311 L314 L327 H328 R334 L343Y307-W331 AromaticContact CD2-CH2 3.1Å; Y307-W331 HydrophobicContact CD2-CH2 3.1Å; Y307-W331 HydrophobicContact CD2-CZ2 4Å; Y307-W331 AromaticContact CD2-CZ3 3.52Å; Y307-W331 HydrophobicContact CD2-CZ3 3.52Å; Y307-W331 AromaticContact CE2-CH2 2.99Å; Y307-W331 HydrophobicContact CE2-CH2 2.99Å; Y307-W331 AromaticContact CE2-CZ2 3.42Å; Y307-W331 HydrophobicContact CE2-CZ2 3.42Å; Y307-W331 VanDerWaalsContact CE2-CZ2 3.42Å; Y307-W331 AromaticContact CE2-CZ3 3.85Å; Y307-W331 HydrophobicContact CE2-CZ3 3.85Å; Y307-W331 AromaticContact CG-CH2 3.97Å; Y307-W331 HydrophobicContact CG-CH2 3.97Å; Y307-W331 HydrophobicContact CG-CZ3 4.37Å; Y307-W331 AromaticContact CZ-CH2 3.82Å; V310-W331 HydrophobicContact CB-CE3 3.95Å; V310-W331 HydrophobicContact CB-CZ3 3.73Å; V310-W331 HydrophobicContact CG1-CB 4.49Å; V310-W331 HydrophobicContact CG1-CD2 3.97Å; V310-W331 HydrophobicContact CG1-CE3 3.35Å; V310-W331 HydrophobicContact CG1-CG 4.49Å; V310-W331 HydrophobicContact CG1-CH2 4.45Å; V310-W331 HydrophobicContact CG1-CZ3 3.64Å; N311-W331 HydrophobicContact CB-CH2 4.44Å; L314-W331 HydrophobicContact CD1-CB 4.24Å; L314-W331 HydrophobicContact CD1-CD2 4.27Å; L314-W331 HydrophobicContact CD1-CG 3.95Å; L327-W331 WeakPolarHBondContact O-CB 3.15Å; L327-W331 PolarHBondContact O-N 2.97Å; H328-W331 PolarHBondContact O-N 2.73Å; W331-R334 WeakPolarHBondContact O-CB 3.46Å; W331-R334 WeakPolarHBondContact O-CG 3.27Å; W331-R334 PolarHBondContact O-N 2.89Å; W331-L343 HydrophobicContact CE3-CD1 3.72Å; W331-L343 HydrophobicContact CZ3-CD1 4.31Å
332H84.5Confident82.7Confident117 Ų11789.7 Ų89.754%0.54243%0.434SS..Hα-helixtrans-81.5-18.2-178.5-77.3-82.9000113.8H328 R334H328-H332 AromaticContact CD2-CD2 3.48Å; H328-H332 PolarHBondContact CD2-CD2 3.39Å; H328-H332 VanDerWaalsContact CD2-CD2 3.48Å; H328-H332 AromaticContact CD2-NE2 3.53Å; H328-H332 AromaticContact CE1-CD2 3.35Å; H328-H332 PolarHBondContact CE1-CD2 2.9Å; H328-H332 AromaticContact CE1-NE2 3.75Å; H328-H332 AromaticContact CG-CD2 3.7Å; H328-H332 AromaticContact ND1-CD2 3.61Å; H328-H332 AromaticContact NE2-CD2 3.28Å; H328-H332 PolarHBondContact NE2-CD2 2.92Å; H328-H332 VanDerWaalsContact NE2-CD2 3.28Å; H328-H332 AromaticContact NE2-NE2 3.22Å; H328-H332 PolarHBondContact NE2-NE2 3.02Å; H328-H332 PolarHBondContact O-CD2 3.33Å; H328-H332 VanDerWaalsContact O-CD2 3.27Å; H328-H332 PolarHBondContact O-N 2.91Å; H332-R334 PolarHBondContact O-N 3.14Å; H332-R334 VanDerWaalsContact O-N 3.09Å
333S81Confident82.5Confident65 Ų6584.1 Ų84.146%0.45541%0.408SS..G310 helixtrans-71.35.6167.869.30000113.6T329 I330 L335 R336T329-S333 PolarHBondContact O-N 3.37Å; T329-S333 PolarHBondContact O-OG 3.18Å; I330-S333 PolarHBondContact O-OG 3.03Å; S333-L335 PolarHBondContact O-N 3.28Å; S333-R336 PolarHBondContact O-N 3.36Å
334R64.2Low82.2Confident130 Ų13084 Ų8449%0.49141%0.41SS..G310 helixtrans-48.4-25.9-178.4-124.2179.7164.8-172.8-4.7116.3Y307 W331 H332 R336Y307-R334 VanDerWaalsContact CD2-NH2 3.26Å; Y307-R334 VanDerWaalsContact CE2-NH1 3.33Å; W331-R334 WeakPolarHBondContact O-CB 3.46Å; W331-R334 WeakPolarHBondContact O-CG 3.27Å; W331-R334 PolarHBondContact O-N 2.89Å; H332-R334 PolarHBondContact O-N 3.14Å; H332-R334 VanDerWaalsContact O-N 3.09Å; R334-R336 CarbonylContact O-C 3.53Å; R334-R336 PolarHBondContact O-N 2.98Å
335L59Low81.8Confident177 Ų17786.5 Ų86.593%0.92742%0.42SS*.G310 helixtrans-59.6-15.2177.1-68.2172.8000112.2S333S333-L335 PolarHBondContact O-N 3.28Å
336R58.2Low81.7Confident214 Ų21479.7 Ų79.781%0.80840%0.396SS*.SBendtrans-102.4123.1165.5-65.5-178.4178.7173-0.4109.8S333 R334 K338 S339S333-R336 PolarHBondContact O-N 3.36Å; R334-R336 CarbonylContact O-C 3.53Å; R334-R336 PolarHBondContact O-N 2.98Å; R336-K338 PolarHBondContact O-N 3.41Å; R336-S339 PolarHBondContact O-N 2.88Å
337S61.4Low81.6Confident124 Ų12477.5 Ų77.587%0.86738%0.382SS*.THydrogen-bonded Turntrans-55.9-3.7-164.2740000118.4
338K66.5Low81.4Confident148 Ų14877.8 Ų77.864%0.64338%0.383SS*.THydrogen-bonded Turntrans-101.16.5-174.9-62.8-174.6179.3-179.70115.2R336 Y340 I341 C342R336-K338 PolarHBondContact O-N 3.41Å; K338-Y340 VanDerWaalsContact C-N 3.33Å; K338-Y340 PolarHBondContact O-N 3.43Å; K338-I341 PolarHBondContact O-N 3.34Å; K338-I341 VanDerWaalsContact O-N 3.11Å; K338-C342 PolarHBondContact O-N 3.12Å
339S70.7Confident80.8Confident7 Ų773.6 Ų73.65%0.04936%0.364CS..Hα-helixtrans-55.2-39.8-176.8170.40000114.4I330 R336 I341 C342 L343I330-S339 PolarHBondContact O-OG 3.41Å; R336-S339 PolarHBondContact O-N 2.88Å; S339-I341 PolarHBondContact O-N 3.22Å; S339-C342 PolarHBondContact O-N 3.37Å; S339-L343 WeakPolarHBondContact O-CG 3.46Å; S339-L343 PolarHBondContact O-N 3.43Å
340Y82Confident79.3Confident65 Ų6569.4 Ų69.426%0.25534%0.338SS..Hα-helixtrans-60.5-42.4177.4162.5-100.5000112.8Q303 V306 K338 C342 L343 S344Q303-Y340 HydrophobicContact CB-CD2 4.37Å; Q303-Y340 HydrophobicContact CB-CE1 4.42Å; Q303-Y340 HydrophobicContact CB-CE2 3.99Å; Q303-Y340 HydrophobicContact CG-CD1 3.75Å; Q303-Y340 HydrophobicContact CG-CD2 4.12Å; Q303-Y340 HydrophobicContact CG-CE1 3.29Å; Q303-Y340 HydrophobicContact CG-CE2 3.7Å; Q303-Y340 HydrophobicContact CG-CG 4.14Å; Q303-Y340 PolarHBondContact N-OH 3.25Å; V306-Y340 HydrophobicContact CB-CD2 4.07Å; V306-Y340 HydrophobicContact CB-CE2 3.71Å; V306-Y340 HydrophobicContact CG1-CD2 4.14Å; V306-Y340 HydrophobicContact CG1-CE2 4.15Å; V306-Y340 HydrophobicContact CG2-CE2 3.81Å; K338-Y340 VanDerWaalsContact C-N 3.33Å; K338-Y340 PolarHBondContact O-N 3.43Å; Y340-C342 VanDerWaalsContact C-N 3.27Å; Y340-C342 PolarHBondContact O-N 2.93Å; Y340-L343 PolarHBondContact O-N 3.36Å; Y340-S344 WeakPolarHBondContact CD2-OG 3.3Å; Y340-S344 WeakPolarHBondContact CE1-OG 3.49Å; Y340-S344 WeakPolarHBondContact CE2-OG 3.32Å; Y340-S344 VanDerWaalsContact O-CB 3.31Å; Y340-S344 WeakPolarHBondContact O-CB 3.43Å; Y340-S344 PolarHBondContact O-N 3.08Å; Y340-S344 PolarHBondContact O-OG 2.9Å; Y340-S344 PolarHBondContact OH-OG 3.28Å
341I85.9Confident77.3Confident108 Ų10869.6 Ų69.655%0.55434%0.342SS*.Hα-helixtrans-61.5-43.8-178.5-62.7172.4000109K338 S339 S344 Y345K338-I341 PolarHBondContact O-N 3.34Å; K338-I341 VanDerWaalsContact O-N 3.11Å; S339-I341 PolarHBondContact O-N 3.22Å; I341-S344 PolarHBondContact O-N 2.9Å; I341-Y345 WeakPolarHBondContact O-CB 3.17Å; I341-Y345 PolarHBondContact O-N 2.94Å
342C89.1Confident75.4Confident61 Ų6169.7 Ų69.741%0.41234%0.344SS..Hα-helixtrans-64.3-43.8176.9-62.40000112.6I330 K338 S339 Y340 S344 Y345 L346I330-C342 HydrophobicContact CD1-CB 4.43Å; I330-C342 HydrophobicContact CG2-CB 3.52Å; K338-C342 PolarHBondContact O-N 3.12Å; S339-C342 PolarHBondContact O-N 3.37Å; Y340-C342 VanDerWaalsContact C-N 3.27Å; Y340-C342 PolarHBondContact O-N 2.93Å; C342-S344 VanDerWaalsContact C-N 3.34Å; C342-Y345 PolarHBondContact O-N 3.4Å; C342-L346 WeakPolarHBondContact O-CB 3.48Å; C342-L346 PolarHBondContact O-N 3.49Å
343L91.8Very high73.6Confident5 Ų567 Ų673%0.02633%0.333CS..Hα-helixtrans-64.1-40.8176.2-70.6166.2000111.8V306 V310 L327 I330 W331 S339 Y340 L346 L347V306-L343 HydrophobicContact CG1-CB 3.7Å; V310-L343 HydrophobicContact CG1-CD2 4.42Å; V310-L343 HydrophobicContact CG2-CB 4.49Å; V310-L343 HydrophobicContact CG2-CD1 4.25Å; V310-L343 HydrophobicContact CG2-CD2 4Å; V310-L343 HydrophobicContact CG2-CG 4.46Å; L327-L343 HydrophobicContact CD2-CD2 4.1Å; I330-L343 HydrophobicContact CB-CD2 3.82Å; I330-L343 HydrophobicContact CB-CG 4.25Å; I330-L343 HydrophobicContact CG2-CD2 3.78Å; I330-L343 HydrophobicContact CG2-CG 3.63Å; W331-L343 HydrophobicContact CE3-CD1 3.72Å; W331-L343 HydrophobicContact CZ3-CD1 4.31Å; S339-L343 WeakPolarHBondContact O-CG 3.46Å; S339-L343 PolarHBondContact O-N 3.43Å; Y340-L343 PolarHBondContact O-N 3.36Å; L343-L346 PolarHBondContact O-N 3.41Å; L343-L347 WeakPolarHBondContact O-CB 3.48Å; L343-L347 PolarHBondContact O-N 2.96Å
344S90.9Very high71.9Confident14 Ų1465.5 Ų65.510%0.09832%0.32CS..Hα-helixtrans-65.5-43.2177.3-61.40000111.5Y340 I341 C342 L348 S349Y340-S344 WeakPolarHBondContact CD2-OG 3.3Å; Y340-S344 WeakPolarHBondContact CE1-OG 3.49Å; Y340-S344 WeakPolarHBondContact CE2-OG 3.32Å; Y340-S344 VanDerWaalsContact O-CB 3.31Å; Y340-S344 WeakPolarHBondContact O-CB 3.43Å; Y340-S344 PolarHBondContact O-N 3.08Å; Y340-S344 PolarHBondContact O-OG 2.9Å; Y340-S344 PolarHBondContact OH-OG 3.28Å; I341-S344 PolarHBondContact O-N 2.9Å; C342-S344 VanDerWaalsContact C-N 3.34Å; S344-L348 VanDerWaalsContact O-CA 3.26Å; S344-L348 WeakPolarHBondContact O-CA 3.48Å; S344-L348 WeakPolarHBondContact O-CB 3.13Å; S344-L348 PolarHBondContact O-N 3.22Å; S344-S349 PolarHBondContact O-N 3.42Å
345Y88.2Confident70.9Confident115 Ų11565.4 Ų65.445%0.45133%0.325SS..Hα-helixtrans-60.5-54.1172.7-176.4-98.2000109.4I341 C342 L347 S349 N363I341-Y345 WeakPolarHBondContact O-CB 3.17Å; I341-Y345 PolarHBondContact O-N 2.94Å; C342-Y345 PolarHBondContact O-N 3.4Å; Y345-L347 VanDerWaalsContact C-N 3.31Å; Y345-L347 PolarHBondContact O-N 3.11Å; Y345-S349 WeakPolarHBondContact O-CB 3.48Å; Y345-S349 PolarHBondContact O-N 3.28Å; Y345-S349 PolarHBondContact O-OG 2.97Å; Y345-N363 PolarHBondContact O-ND2 2.83Å; Y345-N363 VanDerWaalsContact O-ND2 3.15Å
346L91.4Very high70.1Confident24 Ų2462.2 Ų62.213%0.12631%0.305CS..Hα-helixtrans-55.5-42.1-177.5-174.464.1000113.6P326 L327 I330 C342 L343 N363 F365P326-L346 HydrophobicContact CB-CD2 3.99Å; L327-L346 HydrophobicContact CD2-CD2 3.81Å; I330-L346 HydrophobicContact CD1-CB 4.35Å; I330-L346 HydrophobicContact CD1-CD2 3.64Å; C342-L346 WeakPolarHBondContact O-CB 3.48Å; C342-L346 PolarHBondContact O-N 3.49Å; L343-L346 PolarHBondContact O-N 3.41Å; L346-N363 VanDerWaalsContact C-ND2 3.35Å; L346-N363 VanDerWaalsContact CA-ND2 3.32Å; L346-N363 WeakPolarHBondContact CA-ND2 3.48Å; L346-N363 PolarHBondContact O-ND2 2.9Å; L346-F365 HydrophobicContact CD1-CB 3.69Å; L346-F365 HydrophobicContact CD1-CD1 3.46Å; L346-F365 VanDerWaalsContact CD1-CD1 3.46Å; L346-F365 HydrophobicContact CD1-CD2 4.08Å; L346-F365 HydrophobicContact CD1-CE1 4.07Å; L346-F365 HydrophobicContact CD1-CG 3.47Å; L346-F365 VanDerWaalsContact CD1-CG 3.47Å; L346-F365 HydrophobicContact CD2-CD1 4.2Å; L346-F365 HydrophobicContact CD2-CE1 3.93Å; L346-F365 HydrophobicContact CD2-CZ 4.11Å; L346-F365 HydrophobicContact CG-CD1 3.51Å; L346-F365 HydrophobicContact CG-CE1 3.67Å; L346-F365 HydrophobicContact CG-CG 4.05Å; L346-F365 HydrophobicContact CG-CZ 4.31Å; L346-F365 WeakPolarHBondContact O-CD1 3.39Å
347L92.3Very high69.3Low0 Ų056.4 Ų56.40%029%0.29CS..Hα-helixtrans-93.1-41.1-175.5-71.3168.9000113.5Y237 L309 V310 L313 L327 L343 Y345 F365 S366 F369Y237-L347 HydrophobicContact CE1-CD2 4.42Å; Y237-L347 HydrophobicContact CE2-CB 4.49Å; Y237-L347 WeakPolarHBondContact CE2-O 3.4Å; Y237-L347 VanDerWaalsContact CZ-O 3.31Å; Y237-L347 PolarHBondContact OH-O 3.32Å; L309-L347 HydrophobicContact CD2-CD1 4.05Å; V310-L347 HydrophobicContact CG2-CD1 3.6Å; L313-L347 HydrophobicContact CD1-CD2 4.33Å; L327-L347 HydrophobicContact CD2-CD1 3.89Å; L327-L347 HydrophobicContact CD2-CD2 3.95Å; L327-L347 HydrophobicContact CD2-CG 3.9Å; L343-L347 WeakPolarHBondContact O-CB 3.48Å; L343-L347 PolarHBondContact O-N 2.96Å; Y345-L347 VanDerWaalsContact C-N 3.31Å; Y345-L347 PolarHBondContact O-N 3.11Å; L347-F365 HydrophobicContact CD2-CE1 4.1Å; L347-S366 PolarHBondContact O-OG 3.07Å; L347-F369 HydrophobicContact CD2-CD1 3.69Å; L347-F369 HydrophobicContact CD2-CE1 3.71Å
348L89Confident68.2Low6 Ų655.3 Ų55.33%0.03129%0.289CS..Hα-helixtrans-105.1-9.8-166.6-49.9-174.5000113.8Y234 Y237 K302 V306 S344 N350Y234-L348 HydrophobicContact CD1-CB 4.36Å; Y234-L348 HydrophobicContact CD1-CD2 3.83Å; Y234-L348 HydrophobicContact CD2-CD1 4.47Å; Y234-L348 HydrophobicContact CD2-CD2 4.35Å; Y234-L348 HydrophobicContact CE1-CB 3.68Å; Y234-L348 HydrophobicContact CE1-CD1 4.48Å; Y234-L348 HydrophobicContact CE1-CD2 4.01Å; Y234-L348 HydrophobicContact CE1-CG 4.27Å; Y234-L348 HydrophobicContact CE2-CD1 4.02Å; Y234-L348 HydrophobicContact CG-CD2 4.02Å; Y237-L348 HydrophobicContact CD2-CD2 3.67Å; Y237-L348 HydrophobicContact CE2-CD2 3.73Å; K302-L348 HydrophobicContact CD-CD1 4.4Å; K302-L348 HydrophobicContact CG-CD1 4Å; V306-L348 HydrophobicContact CG2-CD1 3.51Å; V306-L348 HydrophobicContact CG2-CG 4.11Å; S344-L348 VanDerWaalsContact O-CA 3.26Å; S344-L348 WeakPolarHBondContact O-CA 3.48Å; S344-L348 WeakPolarHBondContact O-CB 3.13Å; S344-L348 PolarHBondContact O-N 3.22Å; L348-N350 PolarHBondContact O-N 2.92Å
349S79.2Confident67Low5 Ų556 Ų564%0.03530%0.299CS..  trans-71.8100.4169.172.80000108S344 Y345 N363 S366S344-S349 PolarHBondContact O-N 3.42Å; Y345-S349 WeakPolarHBondContact O-CB 3.48Å; Y345-S349 PolarHBondContact O-N 3.28Å; Y345-S349 PolarHBondContact O-OG 2.97Å; S349-N363 WeakPolarHBondContact OG-CB 3.2Å; S349-N363 PolarHBondContact OG-ND2 3.09Å; S349-S366 WeakPolarHBondContact O-CB 3.2Å; S349-S366 PolarHBondContact O-OG 3.34Å
350N60.7Low65.9Low7 Ų757.8 Ų57.84%0.03731%0.308CS..  trans-123.3116.3170.9-164.7-26.9000108.1L348 I352 I353 N354L348-N350 PolarHBondContact O-N 2.92Å; N350-I352 PolarHBondContact O-N 3.2Å; N350-I352 WeakPolarHBondContact OD1-CG1 3.21Å; N350-I352 PolarHBondContact OD1-N 2.89Å; N350-I353 HydrophobicContact CB-CD1 4.3Å; N350-I353 PolarHBondContact O-N 2.93Å; N350-I353 VanDerWaalsContact O-N 3.1Å; N350-N354 PolarHBondContact O-N 3.28Å; N350-N354 VanDerWaalsContact O-N 3.15Å
351P48.2Very low64.4Low41 Ų4158.5 Ų58.527%0.26632%0.322SS..THydrogen-bonded Turntrans-59.7-27.5-177.726.9-38.8000112.4I353 N354P351-I353 PolarHBondContact O-N 3.32Å; P351-N354 PolarHBondContact O-N 2.98Å
352I48.8Very low63Low30 Ų3057.6 Ų57.615%0.15433%0.325CS..THydrogen-bonded Turntrans-72.5-16.1-177.7-34.9174.1000112P265 L268 N350 Y367P265-I352 HydrophobicContact CB-CG2 4.25Å; L268-I352 HydrophobicContact CD1-CB 3.69Å; L268-I352 HydrophobicContact CD1-CG2 3.11Å; N350-I352 PolarHBondContact O-N 3.2Å; N350-I352 WeakPolarHBondContact OD1-CG1 3.21Å; N350-I352 PolarHBondContact OD1-N 2.89Å; I352-Y367 HydrophobicContact CD1-CD2 4.28Å; I352-Y367 HydrophobicContact CD1-CE2 4.28Å
353I47.8Very low62.3Low60 Ų6055.6 Ų55.631%0.30831%0.311SS..THydrogen-bonded Turntrans-104.4-29.6177.3-61.1168.7000111E233 N350 P351 H355E233-I353 WeakPolarHBondContact O-CD1 3.15Å; N350-I353 HydrophobicContact CB-CD1 4.3Å; N350-I353 PolarHBondContact O-N 2.93Å; N350-I353 VanDerWaalsContact O-N 3.1Å; P351-I353 PolarHBondContact O-N 3.32Å; I353-H355 PolarHBondContact O-N 2.89Å
354N44.6Very low61.9Low35 Ų3558.1 Ų58.119%0.18733%0.333CS..  trans-100.142.2-171.5-66.6-7.9000113.8N350 P351 H356 D357 I360N350-N354 PolarHBondContact O-N 3.28Å; N350-N354 VanDerWaalsContact O-N 3.15Å; P351-N354 PolarHBondContact O-N 2.98Å; N354-H356 PolarHBondContact O-N 3.47Å; N354-D357 PolarHBondContact O-N 3.19Å; N354-I360 HydrophobicContact CB-CD1 4.16Å
355H43.4Very low61.9Low127 Ų12759.1 Ų59.159%0.58834%0.335SS*.THydrogen-bonded Turntrans-64-11.5176.6-110-63.3000114.4F269 I353 D357F269-H355 HydrophobicContact CE1-CB 4.09Å; F269-H355 HydrophobicContact CZ-CB 3.83Å; F269-H355 AromaticContact CZ-CD2 3.84Å; I353-H355 PolarHBondContact O-N 2.89Å; H355-D357 VanDerWaalsContact C-N 3.34Å
356H42.2Very low61.9Low110 Ų11053.6 Ų53.651%0.50931%0.313SS..THydrogen-bonded Turntrans-76.5-19.4171.7-76.3-66.6000113.6N354N354-H356 PolarHBondContact O-N 3.47Å
357D40.4Very low61.6Low93 Ų9356.3 Ų56.350%0.49732%0.322SS..  trans-108.483.9175-64.8-34.8000108.7N354 H355 N359 I360N354-D357 PolarHBondContact O-N 3.19Å; H355-D357 VanDerWaalsContact C-N 3.34Å; D357-N359 PolarHBondContact O-N 3.11Å; D357-I360 HydrophobicContact CB-CD1 3.58Å; D357-I360 HydrophobicContact CB-CG1 3.73Å; D357-I360 PolarHBondContact O-N 3.44Å; D357-I360 VanDerWaalsContact O-N 3.08Å; D357-I360 WeakPolarHBondContact OD2-CD1 3.28Å
358A38.8Very low61.5Low101 Ų10164.4 Ų64.484%0.83535%0.353SS*.THydrogen-bonded Turntrans-54.5-13.9177.600000113.9
359N42.1Very low61.7Low162 Ų16264.1 Ų64.187%0.86635%0.351SS*.THydrogen-bonded Turntrans-95.41.2-179.2-73.9-11.2000115.3D357 S361D357-N359 PolarHBondContact O-N 3.11Å; N359-S361 PolarHBondContact O-N 3.24Å
360I47.6Very low62.2Low44 Ų4464.3 Ų64.323%0.22635%0.352CS..  trans-87.898176.6-61.1177.3000109.3N354 D357N354-I360 HydrophobicContact CB-CD1 4.16Å; D357-I360 HydrophobicContact CB-CD1 3.58Å; D357-I360 HydrophobicContact CB-CG1 3.73Å; D357-I360 PolarHBondContact O-N 3.44Å; D357-I360 VanDerWaalsContact O-N 3.08Å; D357-I360 WeakPolarHBondContact OD2-CD1 3.28Å
361S50.2Low63.6Low80 Ų8066.6 Ų66.656%0.55936%0.364SS*.  trans-50.7141.9166.457.10000110.8N359 N363N359-S361 PolarHBondContact O-N 3.24Å; S361-N363 PolarHBondContact O-N 3.19Å
362S55.4Low65.7Low89 Ų8966.3 Ų66.362%0.62236%0.359SS*.  trans-61.3108.4-178.256.10000110.7A364S362-A364 PolarHBondContact O-N 3.34Å
363N74.4Confident67.9Low20 Ų2064.9 Ų64.911%0.10735%0.352CS..  trans-73.598.3173.8177.5-3.6000109.6Y345 L346 S349 S361 F365 S366 Y367Y345-N363 PolarHBondContact O-ND2 2.83Å; Y345-N363 VanDerWaalsContact O-ND2 3.15Å; L346-N363 VanDerWaalsContact C-ND2 3.35Å; L346-N363 VanDerWaalsContact CA-ND2 3.32Å; L346-N363 WeakPolarHBondContact CA-ND2 3.48Å; L346-N363 PolarHBondContact O-ND2 2.9Å; S349-N363 WeakPolarHBondContact OG-CB 3.2Å; S349-N363 PolarHBondContact OG-ND2 3.09Å; S361-N363 PolarHBondContact O-N 3.19Å; N363-F365 PolarHBondContact O-N 3.37Å; N363-F365 VanDerWaalsContact OD1-CB 3.23Å; N363-F365 WeakPolarHBondContact OD1-CB 3.37Å; N363-F365 PolarHBondContact OD1-N 3.43Å; N363-S366 PolarHBondContact O-N 2.88Å; N363-S366 VanDerWaalsContact O-N 3.16Å; N363-S366 PolarHBondContact OD1-N 2.78Å; N363-Y367 PolarHBondContact O-N 3.01Å
364A84Confident70Confident58 Ų5862.1 Ų62.148%0.47934%0.337SS..Hα-helixtrans-55.8-30.717900000113.2S362 R368S362-A364 PolarHBondContact O-N 3.34Å; A364-R368 WeakPolarHBondContact O-CB 3.1Å; A364-R368 VanDerWaalsContact O-CG 3.25Å; A364-R368 WeakPolarHBondContact O-CG 3.47Å; A364-R368 PolarHBondContact O-N 3.25Å
365F91Very high72.2Confident34 Ų3463.2 Ų63.215%0.14934%0.343CS..Hα-helixtrans-63.9-52.5176.6179.4-83.7000110.8F323 P326 L327 L346 L347 N363 Y367 R368 F369F323-F365 HydrophobicContact CD1-CD2 4.41Å; F323-F365 AromaticContact CD1-CE2 3.82Å; F323-F365 HydrophobicContact CD1-CE2 3.82Å; F323-F365 HydrophobicContact CD1-CZ 4.01Å; P326-F365 HydrophobicContact CB-CE2 4.11Å; P326-F365 HydrophobicContact CG-CE2 3.93Å; L327-F365 HydrophobicContact CD2-CZ 4.48Å; L327-F365 HydrophobicContact CG-CZ 4.36Å; L346-F365 HydrophobicContact CD1-CB 3.69Å; L346-F365 HydrophobicContact CD1-CD1 3.46Å; L346-F365 VanDerWaalsContact CD1-CD1 3.46Å; L346-F365 HydrophobicContact CD1-CD2 4.08Å; L346-F365 HydrophobicContact CD1-CE1 4.07Å; L346-F365 HydrophobicContact CD1-CG 3.47Å; L346-F365 VanDerWaalsContact CD1-CG 3.47Å; L346-F365 HydrophobicContact CD2-CD1 4.2Å; L346-F365 HydrophobicContact CD2-CE1 3.93Å; L346-F365 HydrophobicContact CD2-CZ 4.11Å; L346-F365 HydrophobicContact CG-CD1 3.51Å; L346-F365 HydrophobicContact CG-CE1 3.67Å; L346-F365 HydrophobicContact CG-CG 4.05Å; L346-F365 HydrophobicContact CG-CZ 4.31Å; L346-F365 WeakPolarHBondContact O-CD1 3.39Å; L347-F365 HydrophobicContact CD2-CE1 4.1Å; N363-F365 PolarHBondContact O-N 3.37Å; N363-F365 VanDerWaalsContact OD1-CB 3.23Å; N363-F365 WeakPolarHBondContact OD1-CB 3.37Å; N363-F365 PolarHBondContact OD1-N 3.43Å; F365-Y367 VanDerWaalsContact C-N 3.3Å; F365-Y367 PolarHBondContact O-N 2.83Å; F365-R368 PolarHBondContact O-N 3.14Å; F365-F369 HydrophobicContact CD1-CB 4.42Å; F365-F369 HydrophobicContact CE1-CB 4.26Å; F365-F369 HydrophobicContact CE1-CD1 4.44Å; F365-F369 HydrophobicContact CE1-CG 4.35Å; F365-F369 WeakPolarHBondContact O-CB 3.44Å; F365-F369 PolarHBondContact O-N 3.11Å
366S89Confident74.7Confident0 Ų057.9 Ų57.90%032%0.319CS..Hα-helixtrans-57-45.1-179.8176.60000111.3L347 S349 N363 F369 N370L347-S366 PolarHBondContact O-OG 3.07Å; S349-S366 WeakPolarHBondContact O-CB 3.2Å; S349-S366 PolarHBondContact O-OG 3.34Å; N363-S366 PolarHBondContact O-N 2.88Å; N363-S366 VanDerWaalsContact O-N 3.16Å; N363-S366 PolarHBondContact OD1-N 2.78Å; S366-F369 PolarHBondContact O-N 3.22Å; S366-N370 WeakPolarHBondContact O-CB 3.23Å; S366-N370 PolarHBondContact O-N 3.16Å; S366-N370 PolarHBondContact O-ND2 2.84Å; S366-N370 PolarHBondContact OG-ND2 3Å
367Y85.4Confident77.2Confident80 Ų8052.8 Ų52.831%0.31430%0.295SS..Hα-helixtrans-60.2-54.5177.2178.6-92.7000112.2F257 I352 N363 F365 F369 N370 L371F257-Y367 AromaticContact CE1-CD2 3.83Å; F257-Y367 HydrophobicContact CE1-CD2 3.83Å; F257-Y367 AromaticContact CE1-CE2 3.69Å; F257-Y367 HydrophobicContact CE1-CE2 3.69Å; F257-Y367 HydrophobicContact CE1-CG 4.4Å; F257-Y367 WeakPolarHBondContact CE1-O 3.21Å; F257-Y367 AromaticContact CZ-CD2 3.53Å; F257-Y367 HydrophobicContact CZ-CD2 3.53Å; F257-Y367 AromaticContact CZ-CE2 3.72Å; F257-Y367 HydrophobicContact CZ-CE2 3.72Å; F257-Y367 HydrophobicContact CZ-CG 4.29Å; I352-Y367 HydrophobicContact CD1-CD2 4.28Å; I352-Y367 HydrophobicContact CD1-CE2 4.28Å; N363-Y367 PolarHBondContact O-N 3.01Å; F365-Y367 VanDerWaalsContact C-N 3.3Å; F365-Y367 PolarHBondContact O-N 2.83Å; Y367-F369 PolarHBondContact O-N 3.11Å; Y367-N370 PolarHBondContact O-N 3.46Å; Y367-L371 PolarHBondContact O-N 3.38Å
368R89.3Confident79.6Confident170 Ų17051.2 Ų51.264%0.64229%0.286SS*.Hα-helixtrans-59.5-36179.7-73.4177.1178.9-167.90.7111.6F323 A364 F365 F372F323-R368 HydrophobicContact CE1-CB 4.22Å; F323-R368 HydrophobicContact CZ-CB 4.32Å; A364-R368 WeakPolarHBondContact O-CB 3.1Å; A364-R368 VanDerWaalsContact O-CG 3.25Å; A364-R368 WeakPolarHBondContact O-CG 3.47Å; A364-R368 PolarHBondContact O-N 3.25Å; F365-R368 PolarHBondContact O-N 3.14Å; R368-F372 WeakPolarHBondContact O-CB 3.47Å; R368-F372 PolarHBondContact O-N 2.74Å
369F93Very high82.2Confident0 Ų056.3 Ų56.30%028%0.284CS..Hα-helixtrans-74-41.1-178.6-170.7-124.8000112.7Y237 L313 I319 F323 L347 F365 S366 Y367 L371 F372 L373Y237-F369 AromaticContact CE1-CD1 3.66Å; Y237-F369 HydrophobicContact CE1-CD1 3.66Å; Y237-F369 AromaticContact CE1-CE1 3.7Å; Y237-F369 HydrophobicContact CE1-CE1 3.7Å; L313-F369 HydrophobicContact CD1-CE1 3.6Å; L313-F369 HydrophobicContact CD1-CZ 3.63Å; L313-F369 HydrophobicContact CD2-CE1 4.26Å; L313-F369 HydrophobicContact CD2-CZ 3.58Å; L313-F369 HydrophobicContact CG-CZ 4.21Å; I319-F369 HydrophobicContact CG2-CE2 4.12Å; F323-F369 HydrophobicContact CB-CD2 3.96Å; F323-F369 HydrophobicContact CB-CE2 3.96Å; F323-F369 HydrophobicContact CD1-CB 4.04Å; F323-F369 AromaticContact CD1-CD2 3.47Å; F323-F369 HydrophobicContact CD1-CD2 3.47Å; F323-F369 VanDerWaalsContact CD1-CD2 3.47Å; F323-F369 HydrophobicContact CD1-CE2 4.32Å; F323-F369 HydrophobicContact CD1-CG 4.1Å; F323-F369 AromaticContact CD2-CD2 3.98Å; F323-F369 HydrophobicContact CD2-CD2 3.98Å; F323-F369 HydrophobicContact CD2-CE2 4.35Å; F323-F369 HydrophobicContact CE1-CB 3.84Å; F323-F369 AromaticContact CE1-CD2 3.86Å; F323-F369 HydrophobicContact CE1-CD2 3.86Å; F323-F369 HydrophobicContact CE1-CG 4.32Å; F323-F369 HydrophobicContact CE2-CD2 4.31Å; F323-F369 AromaticContact CG-CD2 3.55Å; F323-F369 HydrophobicContact CG-CD2 3.55Å; F323-F369 AromaticContact CG-CE2 3.98Å; F323-F369 HydrophobicContact CG-CE2 3.98Å; F323-F369 HydrophobicContact CZ-CD2 4.26Å; L347-F369 HydrophobicContact CD2-CD1 3.69Å; L347-F369 HydrophobicContact CD2-CE1 3.71Å; F365-F369 HydrophobicContact CD1-CB 4.42Å; F365-F369 HydrophobicContact CE1-CB 4.26Å; F365-F369 HydrophobicContact CE1-CD1 4.44Å; F365-F369 HydrophobicContact CE1-CG 4.35Å; F365-F369 WeakPolarHBondContact O-CB 3.44Å; F365-F369 PolarHBondContact O-N 3.11Å; S366-F369 PolarHBondContact O-N 3.22Å; Y367-F369 PolarHBondContact O-N 3.11Å; F369-L371 VanDerWaalsContact C-N 3.31Å; F369-L371 PolarHBondContact O-N 2.89Å; F369-F372 HydrophobicContact CD2-CD1 4.21Å; F369-F372 HydrophobicContact CE2-CD1 4.08Å; F369-F372 WeakPolarHBondContact O-CB 3.35Å; F369-F372 PolarHBondContact O-N 3.02Å; F369-L373 HydrophobicContact CD1-CD1 4.28Å; F369-L373 HydrophobicContact CE1-CD1 3.79Å; F369-L373 HydrophobicContact CE1-CG 4.23Å; F369-L373 HydrophobicContact CE2-CD2 4.22Å; F369-L373 HydrophobicContact CE2-CG 4.21Å; F369-L373 HydrophobicContact CZ-CD1 3.98Å; F369-L373 HydrophobicContact CZ-CD2 4.01Å; F369-L373 HydrophobicContact CZ-CG 4Å; F369-L373 WeakPolarHBondContact O-CG 3.43Å; F369-L373 PolarHBondContact O-N 3.37Å
370N90.6Very high84.6Confident10 Ų1052 Ų525%0.05326%0.257CS..Hα-helixtrans-61.6-40.2172.6-82.7-77.5000112.1I236 Y237 F257 S366 Y367 L373 T374I236-N370 WeakPolarHBondContact CB-OD1 3.22Å; I236-N370 HydrophobicContact CD1-CB 3.79Å; I236-N370 WeakPolarHBondContact CD1-OD1 3.35Å; Y237-N370 PolarHBondContact OH-ND2 2.83Å; Y237-N370 VanDerWaalsContact OH-ND2 3.08Å; F257-N370 HydrophobicContact CD1-CB 4.28Å; F257-N370 HydrophobicContact CD2-CB 4.21Å; F257-N370 HydrophobicContact CE1-CB 3.92Å; F257-N370 HydrophobicContact CE2-CB 3.84Å; F257-N370 HydrophobicContact CG-CB 4.4Å; F257-N370 HydrophobicContact CZ-CB 3.68Å; S366-N370 WeakPolarHBondContact O-CB 3.23Å; S366-N370 PolarHBondContact O-N 3.16Å; S366-N370 PolarHBondContact O-ND2 2.84Å; S366-N370 PolarHBondContact OG-ND2 3Å; Y367-N370 PolarHBondContact O-N 3.46Å; N370-L373 PolarHBondContact O-N 2.85Å; N370-T374 WeakPolarHBondContact O-CB 3.17Å; N370-T374 PolarHBondContact O-N 3.18Å; N370-T374 PolarHBondContact O-OG1 3.01Å
371L89Confident86.7Confident55 Ų5551.7 Ų51.729%0.28827%0.265SS..Hα-helixtrans-60.1-47.7172.8179.159.4000111.2F257 N258 Y367 F369 T374 N375F257-L371 HydrophobicContact CD1-CB 3.96Å; F257-L371 HydrophobicContact CD1-CD1 4.33Å; F257-L371 HydrophobicContact CE1-CB 3.94Å; N258-L371 WeakPolarHBondContact OD1-CD1 3.46Å; Y367-L371 PolarHBondContact O-N 3.38Å; F369-L371 VanDerWaalsContact C-N 3.31Å; F369-L371 PolarHBondContact O-N 2.89Å; L371-T374 PolarHBondContact O-N 3.38Å; L371-N375 PolarHBondContact O-N 3.24Å; L371-N375 VanDerWaalsContact O-N 3.09Å; L371-N375 PolarHBondContact O-ND2 3.45Å
372F93.2Very high88.7Confident35 Ų3548 Ų4815%0.15424%0.24CC..Hα-helixtrans-58.8-48.9176.6170.4-95.6000112.3N318 I319 P320 F323 R368 F369 T374 N375 L376N318-F372 WeakPolarHBondContact O-CZ 3.43Å; I319-F372 HydrophobicContact CD1-CE1 3.8Å; P320-F372 HydrophobicContact CG-CD2 4.47Å; P320-F372 HydrophobicContact CG-CE2 3.75Å; P320-F372 HydrophobicContact CG-CZ 3.88Å; F323-F372 HydrophobicContact CD2-CD1 4.19Å; F323-F372 HydrophobicContact CD2-CG 4.14Å; F323-F372 HydrophobicContact CE2-CB 3.66Å; F323-F372 HydrophobicContact CE2-CD1 4.08Å; F323-F372 AromaticContact CE2-CD2 3.95Å; F323-F372 HydrophobicContact CE2-CD2 3.95Å; F323-F372 AromaticContact CE2-CG 3.59Å; F323-F372 HydrophobicContact CE2-CG 3.59Å; F323-F372 HydrophobicContact CZ-CB 3.91Å; F323-F372 HydrophobicContact CZ-CG 4.35Å; R368-F372 WeakPolarHBondContact O-CB 3.47Å; R368-F372 PolarHBondContact O-N 2.74Å; F369-F372 HydrophobicContact CD2-CD1 4.21Å; F369-F372 HydrophobicContact CE2-CD1 4.08Å; F369-F372 WeakPolarHBondContact O-CB 3.35Å; F369-F372 PolarHBondContact O-N 3.02Å; F372-T374 VanDerWaalsContact C-N 3.31Å; F372-T374 PolarHBondContact O-N 3.13Å; F372-N375 PolarHBondContact O-N 3.01Å; F372-L376 HydrophobicContact CE1-CB 4.41Å; F372-L376 HydrophobicContact CE1-CD2 4.1Å; F372-L376 HydrophobicContact CZ-CB 4.43Å; F372-L376 HydrophobicContact CZ-CD2 4.38Å; F372-L376 WeakPolarHBondContact O-CB 3.48Å; F372-L376 PolarHBondContact O-N 2.72Å
373L94.5Very high90.3Very high0 Ų048.7 Ų48.70%024%0.235CC..Hα-helixtrans-61.8-39.9179.7-72.4-177.3000112.2I236 Y237 Y240 I319 F369 N370 N375 L376 F377I236-L373 HydrophobicContact CG2-CB 3.8Å; I236-L373 HydrophobicContact CG2-CD1 4.14Å; Y237-L373 HydrophobicContact CD1-CD1 3.59Å; Y237-L373 HydrophobicContact CE1-CD1 3.64Å; Y240-L373 HydrophobicContact CD2-CD2 3.83Å; Y240-L373 HydrophobicContact CE2-CD2 4.13Å; Y240-L373 HydrophobicContact CG-CD2 4.5Å; I319-L373 HydrophobicContact CD1-CD2 3.97Å; F369-L373 HydrophobicContact CD1-CD1 4.28Å; F369-L373 HydrophobicContact CE1-CD1 3.79Å; F369-L373 HydrophobicContact CE1-CG 4.23Å; F369-L373 HydrophobicContact CE2-CD2 4.22Å; F369-L373 HydrophobicContact CE2-CG 4.21Å; F369-L373 HydrophobicContact CZ-CD1 3.98Å; F369-L373 HydrophobicContact CZ-CD2 4.01Å; F369-L373 HydrophobicContact CZ-CG 4Å; F369-L373 WeakPolarHBondContact O-CG 3.43Å; F369-L373 PolarHBondContact O-N 3.37Å; N370-L373 PolarHBondContact O-N 2.85Å; L373-N375 VanDerWaalsContact C-N 3.35Å; L373-N375 PolarHBondContact O-N 3.43Å; L373-L376 HydrophobicContact CD2-CD2 4.25Å; L373-L376 WeakPolarHBondContact O-CB 3.5Å; L373-L376 PolarHBondContact O-N 3.01Å; L373-F377 HydrophobicContact CB-CE2 4.46Å; L373-F377 HydrophobicContact CB-CZ 4.2Å; L373-F377 WeakPolarHBondContact O-CD1 3.37Å; L373-F377 VanDerWaalsContact O-CD2 3.32Å; L373-F377 WeakPolarHBondContact O-CD2 3.39Å; L373-F377 WeakPolarHBondContact O-CG 3.16Å; L373-F377 PolarHBondContact O-N 3.19Å
374T90.8Very high90.8Very high1 Ų150.2 Ų50.21%0.00625%0.246CC..Hα-helixtrans-60.1-46.5176.3-56.60000110.8F257 N370 L371 F372 L376 F377 I378F257-T374 HydrophobicContact CB-CG2 4.22Å; F257-T374 WeakPolarHBondContact CB-OG1 3.38Å; N370-T374 WeakPolarHBondContact O-CB 3.17Å; N370-T374 PolarHBondContact O-N 3.18Å; N370-T374 PolarHBondContact O-OG1 3.01Å; L371-T374 PolarHBondContact O-N 3.38Å; F372-T374 VanDerWaalsContact C-N 3.31Å; F372-T374 PolarHBondContact O-N 3.13Å; T374-L376 VanDerWaalsContact C-N 3.33Å; T374-L376 PolarHBondContact O-N 3.24Å; T374-F377 WeakPolarHBondContact O-CB 3.41Å; T374-F377 PolarHBondContact O-N 2.92Å; T374-I378 WeakPolarHBondContact O-CG1 3.47Å; T374-I378 PolarHBondContact O-N 3.02Å
375N92.3Very high90.4Very high59 Ų5947.6 Ų47.632%0.31622%0.224SC..Hα-helixtrans-65.8-35175.4-69.4-25.3000112.4N258 L371 F372 L373 F377 I378 R379N258-N375 PolarHBondContact ND2-OD1 2.64Å; L371-N375 PolarHBondContact O-N 3.24Å; L371-N375 VanDerWaalsContact O-N 3.09Å; L371-N375 PolarHBondContact O-ND2 3.45Å; F372-N375 PolarHBondContact O-N 3.01Å; L373-N375 VanDerWaalsContact C-N 3.35Å; L373-N375 PolarHBondContact O-N 3.43Å; N375-F377 VanDerWaalsContact C-N 3.35Å; N375-I378 PolarHBondContact O-N 2.83Å; N375-R379 WeakPolarHBondContact O-CG 3.47Å; N375-R379 PolarHBondContact O-N 3.13Å
376L94.9Very high89.7Confident15 Ų1548.2 Ų48.28%0.07923%0.232CC..Hα-helixtrans-63.2-40.4174.7178.763.3000111.6N318 I319 F372 L373 T374 I378 R379 K380N318-L376 HydrophobicContact CB-CD1 4Å; N318-L376 HydrophobicContact CB-CD2 4.26Å; I319-L376 HydrophobicContact CD1-CD2 3.93Å; F372-L376 HydrophobicContact CE1-CB 4.41Å; F372-L376 HydrophobicContact CE1-CD2 4.1Å; F372-L376 HydrophobicContact CZ-CB 4.43Å; F372-L376 HydrophobicContact CZ-CD2 4.38Å; F372-L376 WeakPolarHBondContact O-CB 3.48Å; F372-L376 PolarHBondContact O-N 2.72Å; L373-L376 HydrophobicContact CD2-CD2 4.25Å; L373-L376 WeakPolarHBondContact O-CB 3.5Å; L373-L376 PolarHBondContact O-N 3.01Å; T374-L376 VanDerWaalsContact C-N 3.33Å; T374-L376 PolarHBondContact O-N 3.24Å; L376-I378 VanDerWaalsContact C-N 3.31Å; L376-I378 PolarHBondContact O-N 3.09Å; L376-R379 PolarHBondContact O-N 3.13Å; L376-K380 WeakPolarHBondContact O-CG 3.38Å; L376-K380 PolarHBondContact O-N 3.41Å; L376-K380 VanDerWaalsContact O-N 3.09Å
377F94.8Very high89Confident3 Ų352.9 Ų52.91%0.01326%0.255CS..Hα-helixtrans-60.8-43.9174.3-56.1-32.4000111.1I236 Q239 Y240 T253 L373 T374 N375 R379 K380 G381 S382I236-F377 HydrophobicContact CG2-CE2 3.96Å; I236-F377 HydrophobicContact CG2-CZ 4.34Å; I236-F377 WeakPolarHBondContact O-CZ 3.38Å; Q239-F377 HydrophobicContact CB-CE2 4.08Å; Q239-F377 HydrophobicContact CB-CZ 4.1Å; Q239-F377 HydrophobicContact CG-CD2 4.38Å; Q239-F377 HydrophobicContact CG-CE1 4.47Å; Q239-F377 HydrophobicContact CG-CE2 4.07Å; Q239-F377 HydrophobicContact CG-CZ 4.13Å; Y240-F377 HydrophobicContact CD2-CE1 4.07Å; T253-F377 HydrophobicContact CG2-CB 4.3Å; T253-F377 HydrophobicContact CG2-CD2 4.43Å; L373-F377 HydrophobicContact CB-CE2 4.46Å; L373-F377 HydrophobicContact CB-CZ 4.2Å; L373-F377 WeakPolarHBondContact O-CD1 3.37Å; L373-F377 VanDerWaalsContact O-CD2 3.32Å; L373-F377 WeakPolarHBondContact O-CD2 3.39Å; L373-F377 WeakPolarHBondContact O-CG 3.16Å; L373-F377 PolarHBondContact O-N 3.19Å; T374-F377 WeakPolarHBondContact O-CB 3.41Å; T374-F377 PolarHBondContact O-N 2.92Å; N375-F377 VanDerWaalsContact C-N 3.35Å; F377-R379 PolarHBondContact O-N 2.99Å; F377-K380 CarbonylContact O-C 3.5Å; F377-K380 WeakPolarHBondContact O-CA 3.48Å; F377-K380 PolarHBondContact O-N 3.1Å; F377-G381 PolarHBondContact O-N 3.05Å; F377-S382 VanDerWaalsContact O-CB 3.31Å; F377-S382 WeakPolarHBondContact O-CB 3.15Å; F377-S382 PolarHBondContact O-N 2.9Å; F377-S382 PolarHBondContact O-OG 3.06Å
378I92.2Very high88.5Confident59 Ų5953.3 Ų53.330%0.30327%0.269SS..Hα-helixtrans-61.4-46.8178.9-63.9167.7000111.2T374 N375 L376 K380 G381 S382T374-I378 WeakPolarHBondContact O-CG1 3.47Å; T374-I378 PolarHBondContact O-N 3.02Å; N375-I378 PolarHBondContact O-N 2.83Å; L376-I378 VanDerWaalsContact C-N 3.31Å; L376-I378 PolarHBondContact O-N 3.09Å; I378-K380 PolarHBondContact O-N 3.43Å; I378-G381 PolarHBondContact O-N 3.13Å; I378-S382 VanDerWaalsContact CA-O 3.27Å; I378-S382 WeakPolarHBondContact CA-O 3.4Å
379R92.9Very high87.8Confident208 Ų20847.9 Ų47.979%0.78525%0.252SS*.Hα-helixtrans-59.1-28.3174.6-71.4177.8-178.1-173.9-0.4113.1N375 L376 F377 G381N375-R379 WeakPolarHBondContact O-CG 3.47Å; N375-R379 PolarHBondContact O-N 3.13Å; L376-R379 PolarHBondContact O-N 3.13Å; F377-R379 PolarHBondContact O-N 2.99Å; R379-G381 VanDerWaalsContact C-N 3.28Å
380K92.6Very high86.8Confident72 Ų7249.8 Ų49.831%0.31326%0.262SS..THydrogen-bonded Turntrans-86.78.4175.9-70.4-170.8173.6-172.60113.9T249 N318 L376 F377 I378T249-K380 HydrophobicContact CG2-CB 4.35Å; N318-K380 PolarHBondContact ND2-NZ 3.39Å; L376-K380 WeakPolarHBondContact O-CG 3.38Å; L376-K380 PolarHBondContact O-N 3.41Å; L376-K380 VanDerWaalsContact O-N 3.09Å; F377-K380 CarbonylContact O-C 3.5Å; F377-K380 WeakPolarHBondContact O-CA 3.48Å; F377-K380 PolarHBondContact O-N 3.1Å; I378-K380 PolarHBondContact O-N 3.43Å
381G91.1Very high86Confident38 Ų3853.4 Ų53.439%0.39229%0.285SS..THydrogen-bonded Turntrans97.37.4174.700000115F377 I378 R379F377-G381 PolarHBondContact O-N 3.05Å; I378-G381 PolarHBondContact O-N 3.13Å; R379-G381 VanDerWaalsContact C-N 3.28Å
382S92.5Very high85.4Confident3 Ų353.5 Ų53.52%0.02129%0.29CS..PPolyproline II helixtrans-71.8136.2167.6-57.90000110.3F250 K251 F377 I378F250-S382 WeakPolarHBondContact O-CB 3.44Å; F250-S382 PolarHBondContact O-OG 2.89Å; K251-S382 CarbonylContact O-C 3.36Å; K251-S382 WeakPolarHBondContact O-CA 3.49Å; F377-S382 VanDerWaalsContact O-CB 3.31Å; F377-S382 WeakPolarHBondContact O-CB 3.15Å; F377-S382 PolarHBondContact O-N 2.9Å; F377-S382 PolarHBondContact O-OG 3.06Å; I378-S382 VanDerWaalsContact CA-O 3.27Å; I378-S382 WeakPolarHBondContact CA-O 3.4Å
383I89Confident84.4Confident103 Ų10354.8 Ų54.853%0.52830%0.296SS..BIsolated β-bridgetrans-99.6135.8175.5-55.2171000107.8K251 R252K251-I383 PolarHBondContact O-N 3.45Å; R252-I383 WeakPolarHBondContact CA-O 3.41Å; R252-I383 WeakPolarHBondContact CG-O 3.37Å
384P84.2Confident83.3Confident51 Ų5157.7 Ų57.733%0.33131%0.312SS..PPolyproline II helixtrans-62156.9173.125.3-33.2000112.4E256E256-P384 VanDerWaalsContact CD-CB 3.43Å; E256-P384 WeakPolarHBondContact OE1-CA 3.49Å; E256-P384 WeakPolarHBondContact OE1-CB 3.02Å; E256-P384 WeakPolarHBondContact OE2-CB 3.2Å
385V75.7Confident82.6Confident4 Ų464.4 Ų64.42%0.02434%0.341CS..PPolyproline II helixtrans-68.2129.4168.8-168.40000108.7R252 E256 I389 L390R252-V385 HydrophobicContact CG-CG2 4.05Å; E256-V385 VanDerWaalsContact CD-N 3.29Å; E256-V385 HydrophobicContact CG-CB 3.74Å; E256-V385 HydrophobicContact CG-CG2 4Å; E256-V385 PolarHBondContact OE1-N 3.47Å; V385-I389 HydrophobicContact CG1-CB 3.91Å; V385-I389 HydrophobicContact CG1-CG2 3.65Å; V385-L390 HydrophobicContact CB-CD2 4.09Å; V385-L390 HydrophobicContact CB-CG 4.27Å; V385-L390 HydrophobicContact CG1-CD2 3.84Å; V385-L390 HydrophobicContact CG1-CG 3.99Å
386S77Confident81.9Confident46 Ų4667.5 Ų67.532%0.32235%0.352SS..PPolyproline II helixtrans-64.4150.5177.470.50000111S388 I389 L390S386-S388 VanDerWaalsContact C-N 3.3Å; S386-S388 PolarHBondContact O-N 3.45Å; S386-S388 PolarHBondContact OG-OG 2.64Å; S386-I389 PolarHBondContact O-N 3.43Å; S386-I389 VanDerWaalsContact O-N 3.16Å; S386-I389 VanDerWaalsContact OG-CD1 3.29Å; S386-I389 WeakPolarHBondContact OG-CD1 3.46Å; S386-I389 WeakPolarHBondContact OG-CG1 3.15Å; S386-I389 PolarHBondContact OG-N 2.85Å; S386-L390 PolarHBondContact O-N 3.47Å; S386-L390 VanDerWaalsContact O-N 3.11Å
387E73.5Confident80.8Confident99 Ų9969.7 Ų69.746%0.46336%0.359SS..Hα-helixtrans-61.4-39.3179.7-162.6158.6156.200112.6K259 I389 L390 T391K259-E387 IonicContact NZ-OE2 2.78Å; K259-E387 PolarHBondContact NZ-OE2 2.79Å; E387-I389 VanDerWaalsContact C-N 3.28Å; E387-I389 PolarHBondContact O-N 3.11Å; E387-L390 PolarHBondContact O-N 3.48Å; E387-L390 VanDerWaalsContact O-N 3.14Å; E387-T391 WeakPolarHBondContact O-CB 3.44Å; E387-T391 PolarHBondContact O-N 2.83Å; E387-T391 PolarHBondContact O-OG1 3.01Å; E387-T391 VanDerWaalsContact O-OG1 3.05Å
388S76.5Confident79.9Confident88 Ų8872 Ų7262%0.61538%0.376SS*.Hα-helixtrans-57-40.7175.2550000112.7S386 S392S386-S388 VanDerWaalsContact C-N 3.3Å; S386-S388 PolarHBondContact O-N 3.45Å; S386-S388 PolarHBondContact OG-OG 2.64Å; S388-S392 WeakPolarHBondContact O-CB 3.06Å; S388-S392 PolarHBondContact O-N 3.31Å
389I74.6Confident79.3Confident57 Ų5773.6 Ų73.629%0.29239%0.385SS..Hα-helixtrans-67.4-46.7176.4-68.5169.1000109.7V385 S386 E387 T391 S392 E393V385-I389 HydrophobicContact CG1-CB 3.91Å; V385-I389 HydrophobicContact CG1-CG2 3.65Å; S386-I389 PolarHBondContact O-N 3.43Å; S386-I389 VanDerWaalsContact O-N 3.16Å; S386-I389 VanDerWaalsContact OG-CD1 3.29Å; S386-I389 WeakPolarHBondContact OG-CD1 3.46Å; S386-I389 WeakPolarHBondContact OG-CG1 3.15Å; S386-I389 PolarHBondContact OG-N 2.85Å; E387-I389 VanDerWaalsContact C-N 3.28Å; E387-I389 PolarHBondContact O-N 3.11Å; I389-T391 PolarHBondContact O-N 3.11Å; I389-S392 PolarHBondContact O-N 3.18Å; I389-E393 HydrophobicContact CG2-CG 4.29Å; I389-E393 WeakPolarHBondContact O-CB 3.11Å; I389-E393 WeakPolarHBondContact O-CG 3.47Å; I389-E393 PolarHBondContact O-N 3.39Å
390L71.5Confident78.6Confident40 Ų4071.2 Ų71.221%0.20938%0.375CS..Hα-helixtrans-59-45.6178.5-67176.7000111.9E256 K259 V385 S386 E387 E393 N394E256-L390 HydrophobicContact CB-CD1 4.12Å; E256-L390 HydrophobicContact CG-CD1 3.94Å; E256-L390 HydrophobicContact CG-CD2 4.44Å; K259-L390 HydrophobicContact CD-CD1 4.38Å; V385-L390 HydrophobicContact CB-CD2 4.09Å; V385-L390 HydrophobicContact CB-CG 4.27Å; V385-L390 HydrophobicContact CG1-CD2 3.84Å; V385-L390 HydrophobicContact CG1-CG 3.99Å; S386-L390 PolarHBondContact O-N 3.47Å; S386-L390 VanDerWaalsContact O-N 3.11Å; E387-L390 PolarHBondContact O-N 3.48Å; E387-L390 VanDerWaalsContact O-N 3.14Å; L390-E393 PolarHBondContact O-N 2.03Å; L390-N394 VanDerWaalsContact O-CB 3.31Å; L390-N394 WeakPolarHBondContact O-CB 3.5Å; L390-N394 PolarHBondContact O-N 3.18Å
391T73Confident77.7Confident86 Ų8668.8 Ų68.853%0.52837%0.366SS..Hα-helixtrans-63.8-42.3178.4-58.50000111.4E387 I389 N394 K395E387-T391 WeakPolarHBondContact O-CB 3.44Å; E387-T391 PolarHBondContact O-N 2.83Å; E387-T391 PolarHBondContact O-OG1 3.01Å; E387-T391 VanDerWaalsContact O-OG1 3.05Å; I389-T391 PolarHBondContact O-N 3.11Å; T391-N394 PolarHBondContact O-N 3.31Å; T391-K395 PolarHBondContact O-N 3.28Å
392S75.8Confident77.1Confident56 Ų5669.8 Ų69.839%0.39237%0.367SS..Hα-helixtrans-63.1-44.1175.2-175.90000112.3S388 I389 N394 K395 K396S388-S392 WeakPolarHBondContact O-CB 3.06Å; S388-S392 PolarHBondContact O-N 3.31Å; I389-S392 PolarHBondContact O-N 3.18Å; S392-N394 VanDerWaalsContact C-N 3.34Å; S392-K395 PolarHBondContact O-N 3.14Å; S392-K396 WeakPolarHBondContact O-CG 3.31Å; S392-K396 PolarHBondContact O-N 3.21Å; S392-K396 VanDerWaalsContact O-N 3.08Å
393E73.7Confident76.2Confident62 Ų6274.5 Ų74.529%0.2939%0.385SS..Hα-helixtrans-63.2-41.2176.2-73.4-175.316000111.4R29 I389 L390 K396 W397R29-E393 IonicContact CZ-OE1 3.69Å; R29-E393 IonicContact NH1-OE1 3.67Å; R29-E393 PolarHBondContact NH1-OE1 2.72Å; R29-E393 IonicContact NH2-OE1 2.72Å; R29-E393 PolarHBondContact NH2-OE1 3.08Å; R29-E393 IonicContact NH2-OE2 2.64Å; I389-E393 HydrophobicContact CG2-CG 4.29Å; I389-E393 WeakPolarHBondContact O-CB 3.11Å; I389-E393 WeakPolarHBondContact O-CG 3.47Å; I389-E393 PolarHBondContact O-N 3.39Å; L390-E393 PolarHBondContact O-N 2.03Å; E393-K396 PolarHBondContact O-N 2.91Å; E393-W397 VanDerWaalsContact O-CB 3.27Å; E393-W397 WeakPolarHBondContact O-CB 3.49Å; E393-W397 PolarHBondContact O-N 2.7Å
394N70.5Confident75.4Confident61 Ų6170 Ų7033%0.32636%0.362SS..Hα-helixtrans-67.6-37177.8-173.649.2000113.2L267 L390 T391 S392 W397 S398L267-N394 HydrophobicContact CD2-CB 3.88Å; L267-N394 VanDerWaalsContact CD2-CG 3.45Å; L267-N394 VanDerWaalsContact CD2-OD1 3.24Å; L267-N394 WeakPolarHBondContact CD2-OD1 3.27Å; L390-N394 VanDerWaalsContact O-CB 3.31Å; L390-N394 WeakPolarHBondContact O-CB 3.5Å; L390-N394 PolarHBondContact O-N 3.18Å; T391-N394 PolarHBondContact O-N 3.31Å; S392-N394 VanDerWaalsContact C-N 3.34Å; N394-W397 WeakPolarHBondContact O-CB 3.34Å; N394-W397 PolarHBondContact O-N 2.97Å; N394-S398 PolarHBondContact O-N 2.86Å; N394-S398 PolarHBondContact O-OG 2.75Å
395K76Confident74.8Confident143 Ų14372 Ų7262%0.62237%0.366SS*.Hα-helixtrans-63.1-51.3172.9-175.2176.3179.1178.10110.6T391 S392 W397 S398 D399T391-K395 PolarHBondContact O-N 3.28Å; S392-K395 PolarHBondContact O-N 3.14Å; K395-W397 PolarHBondContact O-N 3.36Å; K395-S398 WeakPolarHBondContact O-CB 3.41Å; K395-S398 PolarHBondContact O-N 3.46Å; K395-D399 VanDerWaalsContact O-CG 3.26Å; K395-D399 PolarHBondContact O-N 3.41Å
396K77.4Confident74.3Confident123 Ų12380.2 Ų80.254%0.53540%0.401SS..Hα-helixtrans-57.4-35.7175.5-72.8175.7-178.9173.20112.5S392 E393 R400S392-K396 WeakPolarHBondContact O-CG 3.31Å; S392-K396 PolarHBondContact O-N 3.21Å; S392-K396 VanDerWaalsContact O-N 3.08Å; E393-K396 PolarHBondContact O-N 2.91Å; K396-R400 WeakPolarHBondContact O-CB 3.38Å; K396-R400 WeakPolarHBondContact O-CD 3.32Å; K396-R400 WeakPolarHBondContact O-CG 3.27Å; K396-R400 PolarHBondContact O-N 3.09Å; K396-R400 VanDerWaalsContact O-N 3.13Å
397W73.3Confident72.9Confident62 Ų6284.2 Ų84.224%0.23542%0.418CS..Hα-helixtrans-66.1-47.3174.8-177.8108.7000110.9F269 H271 I274 E393 N394 K395 D399 R400 L401F269-W397 WeakPolarHBondContact O-CZ2 3.41Å; H271-W397 AromaticContact CD2-CD1 3.35Å; H271-W397 AromaticContact CD2-CE2 3.58Å; H271-W397 AromaticContact CD2-CG 3.93Å; H271-W397 AromaticContact CD2-NE1 3.12Å; H271-W397 PolarHBondContact CD2-NE1 2.89Å; H271-W397 PolarHBondContact CE1-O 3.32Å; H271-W397 AromaticContact NE2-CD1 3.2Å; H271-W397 AromaticContact NE2-CD2 3.66Å; H271-W397 AromaticContact NE2-CE2 3.67Å; H271-W397 AromaticContact NE2-CG 3.35Å; H271-W397 VanDerWaalsContact NE2-CG 3.35Å; H271-W397 AromaticContact NE2-NE1 3.41Å; H271-W397 PolarHBondContact NE2-NE1 2.98Å; H271-W397 PolarHBondContact NE2-O 3.14Å; I274-W397 HydrophobicContact CD1-CH2 3.26Å; I274-W397 HydrophobicContact CD1-CZ2 3.48Å; I274-W397 VanDerWaalsContact CD1-CZ2 3.48Å; E393-W397 VanDerWaalsContact O-CB 3.27Å; E393-W397 WeakPolarHBondContact O-CB 3.49Å; E393-W397 PolarHBondContact O-N 2.7Å; N394-W397 WeakPolarHBondContact O-CB 3.34Å; N394-W397 PolarHBondContact O-N 2.97Å; K395-W397 PolarHBondContact O-N 3.36Å; W397-D399 PolarHBondContact O-N 3.43Å; W397-R400 PolarHBondContact O-N 3.26Å; W397-L401 HydrophobicContact CE3-CB 4.48Å; W397-L401 HydrophobicContact CE3-CD2 4.45Å; W397-L401 HydrophobicContact CH2-CD2 3.47Å; W397-L401 VanDerWaalsContact CH2-CD2 3.47Å; W397-L401 HydrophobicContact CZ2-CD2 4.25Å; W397-L401 HydrophobicContact CZ3-CB 4.36Å; W397-L401 HydrophobicContact CZ3-CD2 3.57Å; W397-L401 WeakPolarHBondContact O-CB 3.15Å; W397-L401 PolarHBondContact O-N 3.48Å
398S74.4Confident72.9Confident52 Ų5283.5 Ų83.536%0.36442%0.415SS..Hα-helixtrans-62.2-44179-58.80000112.1N394 K395 R400 L401 S402N394-S398 PolarHBondContact O-N 2.86Å; N394-S398 PolarHBondContact O-OG 2.75Å; K395-S398 WeakPolarHBondContact O-CB 3.41Å; K395-S398 PolarHBondContact O-N 3.46Å; S398-R400 VanDerWaalsContact C-N 3.29Å; S398-R400 PolarHBondContact O-N 3.32Å; S398-L401 PolarHBondContact O-N 3.42Å; S398-L401 VanDerWaalsContact O-N 3.13Å; S398-S402 PolarHBondContact O-N 2.92Å; S398-S402 PolarHBondContact O-OG 2.65Å
399D79.8Confident72.7Confident92 Ų9283.3 Ų83.349%0.49241%0.405SS..Hα-helixtrans-63-37.3177.2-62-22.3000111.4K395 W397 S402 Y403K395-D399 VanDerWaalsContact O-CG 3.26Å; K395-D399 PolarHBondContact O-N 3.41Å; W397-D399 PolarHBondContact O-N 3.43Å; D399-S402 PolarHBondContact O-OG 2.85Å; D399-Y403 PolarHBondContact O-N 3Å
400R78.2Confident72.6Confident157 Ų15784.7 Ų84.759%0.59241%0.411SS*.Hα-helixtrans-70.7-33.6174.5-77173.2-177.9-164.6-0.3112.5H271 K396 W397 S398 Y403 D404H271-R400 VanDerWaalsContact CE1-CB 3.47Å; H271-R400 WeakPolarHBondContact CE1-CB 3.47Å; K396-R400 WeakPolarHBondContact O-CB 3.38Å; K396-R400 WeakPolarHBondContact O-CD 3.32Å; K396-R400 WeakPolarHBondContact O-CG 3.27Å; K396-R400 PolarHBondContact O-N 3.09Å; K396-R400 VanDerWaalsContact O-N 3.13Å; W397-R400 PolarHBondContact O-N 3.26Å; S398-R400 VanDerWaalsContact C-N 3.29Å; S398-R400 PolarHBondContact O-N 3.32Å; R400-Y403 WeakPolarHBondContact O-CB 3.41Å; R400-Y403 PolarHBondContact O-N 2.86Å; R400-D404 PolarHBondContact O-N 3.37Å
401L75.2Confident72.7Confident22 Ų2287.4 Ų87.412%0.11542%0.423CS..Hα-helixtrans-74.9-40.6-175.2-174.269.5000109.4H271 I274 W397 S398 Y403 D404 F405H271-L401 HydrophobicContact CB-CD1 4.24Å; H271-L401 VanDerWaalsContact CE1-CA 3.48Å; H271-L401 WeakPolarHBondContact CE1-CA 3.28Å; H271-L401 PolarHBondContact CE1-N 2.73Å; H271-L401 WeakPolarHBondContact ND1-CD1 3.32Å; I274-L401 HydrophobicContact CD1-CD2 3.89Å; I274-L401 HydrophobicContact CG2-CD1 4.28Å; I274-L401 HydrophobicContact CG2-CD2 4.39Å; W397-L401 HydrophobicContact CE3-CB 4.48Å; W397-L401 HydrophobicContact CE3-CD2 4.45Å; W397-L401 HydrophobicContact CH2-CD2 3.47Å; W397-L401 VanDerWaalsContact CH2-CD2 3.47Å; W397-L401 HydrophobicContact CZ2-CD2 4.25Å; W397-L401 HydrophobicContact CZ3-CB 4.36Å; W397-L401 HydrophobicContact CZ3-CD2 3.57Å; W397-L401 WeakPolarHBondContact O-CB 3.15Å; W397-L401 PolarHBondContact O-N 3.48Å; S398-L401 PolarHBondContact O-N 3.42Å; S398-L401 VanDerWaalsContact O-N 3.13Å; L401-Y403 VanDerWaalsContact C-N 3.28Å; L401-Y403 PolarHBondContact O-N 3.31Å; L401-D404 PolarHBondContact O-N 3.13Å; L401-D404 VanDerWaalsContact O-N 3.1Å; L401-F405 HydrophobicContact CD1-CD2 3.91Å; L401-F405 HydrophobicContact CD1-CE2 3.61Å; L401-F405 HydrophobicContact CD2-CD2 4.42Å; L401-F405 HydrophobicContact CD2-CE2 4.07Å; L401-F405 HydrophobicContact CG-CD2 3.74Å; L401-F405 HydrophobicContact CG-CE2 3.73Å; L401-F405 WeakPolarHBondContact O-CD2 3.12Å; L401-F405 PolarHBondContact O-N 2.91Å
402S76.8Confident72.7Confident59 Ų5987.4 Ų87.441%0.41342%0.416SS..Hα-helixtrans-61.1-38.1173.165.70000111.7S398 D399 F405 K406S398-S402 PolarHBondContact O-N 2.92Å; S398-S402 PolarHBondContact O-OG 2.65Å; D399-S402 PolarHBondContact O-OG 2.85Å; S402-F405 PolarHBondContact O-N 3.22Å; S402-K406 WeakPolarHBondContact O-CB 3.41Å; S402-K406 VanDerWaalsContact O-CG 3.27Å; S402-K406 WeakPolarHBondContact O-CG 2.97Å; S402-K406 PolarHBondContact O-N 3.27Å; S402-K406 VanDerWaalsContact O-N 3.13Å
403Y74.8Confident72.4Confident102 Ų10289.5 Ų89.540%0.442%0.418SS..Hα-helixtrans-60.7-44.7170.5179.1-89.7000112.3R121 D399 R400 L401 F405 K406R121-Y403 HydrophobicContact CG-CE1 4.01Å; D399-Y403 PolarHBondContact O-N 3Å; R400-Y403 WeakPolarHBondContact O-CB 3.41Å; R400-Y403 PolarHBondContact O-N 2.86Å; L401-Y403 VanDerWaalsContact C-N 3.28Å; L401-Y403 PolarHBondContact O-N 3.31Å; Y403-F405 VanDerWaalsContact C-N 3.3Å; Y403-F405 PolarHBondContact O-N 3.2Å; Y403-K406 PolarHBondContact O-N 2.72Å
404D72.4Confident72.4Confident9 Ų991.5 Ų91.55%0.04843%0.427CS..Hα-helixtrans-67.1-28.4-177.7-64.6-24.4000113.6Q117 R121 H271 I275 R400 L401Q117-D404 PolarHBondContact NE2-OD2 3.03Å; R121-D404 IonicContact CZ-OD1 2.8Å; R121-D404 IonicContact CZ-OD2 3.2Å; R121-D404 IonicContact NE-OD1 3.36Å; R121-D404 PolarHBondContact NE-OD1 3.12Å; R121-D404 IonicContact NH2-OD1 3.8Å; R121-D404 PolarHBondContact NH2-OD1 3.11Å; R121-D404 IonicContact NH2-OD2 2.95Å; R121-D404 PolarHBondContact NH2-OD2 3.05Å; H271-D404 IonicContact CE1-OD2 3.4Å; H271-D404 IonicContact ND1-OD2 3.13Å; H271-D404 PolarHBondContact ND1-OD2 3Å; H271-D404 VanDerWaalsContact ND1-OD2 3.13Å; I275-D404 HydrophobicContact CD1-CB 4.37Å; R400-D404 PolarHBondContact O-N 3.37Å; L401-D404 PolarHBondContact O-N 3.13Å; L401-D404 VanDerWaalsContact O-N 3.1Å
405F71.8Confident72.5Confident93 Ų9393.8 Ų93.841%0.40844%0.435SS..Hα-helixtrans-93.3-10.9179.3-85.1-65.7000115.2I274 L401 S402 Y403 I407I274-F405 HydrophobicContact CG2-CE2 3.54Å; I274-F405 HydrophobicContact CG2-CZ 3.47Å; I274-F405 VanDerWaalsContact CG2-CZ 3.47Å; L401-F405 HydrophobicContact CD1-CD2 3.91Å; L401-F405 HydrophobicContact CD1-CE2 3.61Å; L401-F405 HydrophobicContact CD2-CD2 4.42Å; L401-F405 HydrophobicContact CD2-CE2 4.07Å; L401-F405 HydrophobicContact CG-CD2 3.74Å; L401-F405 HydrophobicContact CG-CE2 3.73Å; L401-F405 WeakPolarHBondContact O-CD2 3.12Å; L401-F405 PolarHBondContact O-N 2.91Å; S402-F405 PolarHBondContact O-N 3.22Å; Y403-F405 VanDerWaalsContact C-N 3.3Å; Y403-F405 PolarHBondContact O-N 3.2Å; F405-I407 PolarHBondContact O-N 3.41Å
406K64Low72.2Confident176 Ų17689.8 Ų89.877%0.76542%0.419SS*.  trans-69.712.6-176.4-97.7-179.3178.2-169.80114.5S402 Y403S402-K406 WeakPolarHBondContact O-CB 3.41Å; S402-K406 VanDerWaalsContact O-CG 3.27Å; S402-K406 WeakPolarHBondContact O-CG 2.97Å; S402-K406 PolarHBondContact O-N 3.27Å; S402-K406 VanDerWaalsContact O-N 3.13Å; Y403-K406 PolarHBondContact O-N 2.72Å
407I48.5Very low71.7Confident130 Ų13086.7 Ų86.767%0.66741%0.409SS*.  trans-142.50-174.4-59.1171.9000109.6S156 F405S156-I407 VanDerWaalsContact CB-CD1 3.45Å; S156-I407 WeakPolarHBondContact OG-CD1 3.2Å; F405-I407 PolarHBondContact O-N 3.41Å

Retrieved 407 of 407 residues in 527.3 ms (Link to these results)

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