A0A087XQR7_POEFO Loading...

Translation initiation factor eIF2B subunit beta

Acts as a component of the translation initiation factor 2B (eIF2B) complex, which catalyzes the exchange of GDP for GTP on eukaryotic initiation factor 2 (eIF2) gamma subunit. Its guanine nucleotide exchange factor activity is repressed when bound to eIF2 complex phosphorylated on the alpha subunit, thereby limiting the amount of methionyl-initiator methionine tRNA available to the ribosome and consequently global translation is repressed.

AlphaFold DB , UniProt , Accession A0A087XQR7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 355 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
1M36.8Very low59.4Low215 Ų21593.5 Ų93.5100%1.05952%0.52SS*.  0104.70-71.1-88.3-175.400107.8G3M1-G3 PolarHBondContact O-N 2.95Å
2P41Very low61.4Low73 Ų7397.6 Ų97.647%0.47453%0.532SS..  trans-67.8128.3165.728.4-29.1000107.9R53P2-R53 PolarHBondContact O-NH2 3.23Å
3G40.7Very low63.1Low36 Ų3698.5 Ų98.537%0.37152%0.523SS..  trans-71.2161.5-173.500000114M1 D5 K6M1-G3 PolarHBondContact O-N 2.95Å; G3-D5 PolarHBondContact O-N 3.46Å; G3-D5 VanDerWaalsContact O-N 3.14Å; G3-K6 PolarHBondContact O-N 3.07Å
4P53.8Low64.5Low97 Ų9792.1 Ų92.163%0.6349%0.489SS*.Hα-helixtrans-59.5-22.8-17723.9-33.4000113.9K6 T8P4-K6 VanDerWaalsContact C-N 3.27Å; P4-K6 PolarHBondContact O-N 2.95Å; P4-T8 PolarHBondContact O-OG1 3.04Å
5D56.8Low65.9Low130 Ų13091.9 Ų91.970%0.69548%0.484SS*.Hα-helixtrans-70.2-17.4-177.9-55.9-30.4000114.4G3 T8G3-D5 PolarHBondContact O-N 3.46Å; G3-D5 VanDerWaalsContact O-N 3.14Å; D5-T8 WeakPolarHBondContact CA-OG1 3.47Å; D5-T8 PolarHBondContact O-OG1 3.24Å
6K57.6Low67.1Low129 Ų12989.4 Ų89.456%0.56148%0.481SS*.Hα-helixtrans-85.8-34.4179.6-69.9-173.5178.3-1770112.9G3 P4 T8 L10 Q51G3-K6 PolarHBondContact O-N 3.07Å; P4-K6 VanDerWaalsContact C-N 3.27Å; P4-K6 PolarHBondContact O-N 2.95Å; K6-T8 VanDerWaalsContact C-N 3.33Å; K6-L10 PolarHBondContact O-N 3.31Å; K6-Q51 PolarHBondContact O-OE1 3.4Å
7E61.2Low68Low102 Ų10284.9 Ų84.948%0.47746%0.456SS..Hα-helixtrans-70.8-32.1176.6-77.4178178.700111.6T11E7-T11 PolarHBondContact O-N 3.31Å; E7-T11 VanDerWaalsContact O-N 3.17Å; E7-T11 PolarHBondContact O-OG1 3.34Å
8T65.8Low68.9Low88 Ų8880.6 Ų80.654%0.5443%0.433SS..Hα-helixtrans-69-45.1174.251.60000112.2P4 D5 K6 L10 T11 E12P4-T8 PolarHBondContact O-OG1 3.04Å; D5-T8 WeakPolarHBondContact CA-OG1 3.47Å; D5-T8 PolarHBondContact O-OG1 3.24Å; K6-T8 VanDerWaalsContact C-N 3.33Å; T8-L10 VanDerWaalsContact C-N 3.3Å; T8-L10 PolarHBondContact O-N 3.2Å; T8-T11 PolarHBondContact O-N 3.04Å; T8-E12 WeakPolarHBondContact O-CB 3.24Å; T8-E12 PolarHBondContact O-N 2.93Å
9D79Confident69.7Low61 Ų6180.1 Ų80.133%0.32644%0.436SS..Hα-helixtrans-59.8-36.9175.3175.153.2000112.3R13D9-R13 VanDerWaalsContact O-CG 3.23Å; D9-R13 WeakPolarHBondContact O-CG 3.28Å; D9-R13 PolarHBondContact O-N 3.35Å; D9-R13 VanDerWaalsContact O-N 3.14Å; D9-R13 IonicContact OD1-CZ 3.06Å; D9-R13 IonicContact OD1-NE 3.87Å; D9-R13 PolarHBondContact OD1-NE 3.24Å; D9-R13 IonicContact OD1-NH2 3.23Å; D9-R13 PolarHBondContact OD1-NH2 3.49Å; D9-R13 IonicContact OD2-CZ 2.76Å; D9-R13 IonicContact OD2-NE 3.75Å; D9-R13 PolarHBondContact OD2-NE 2.91Å; D9-R13 VanDerWaalsContact OD2-NE 3.14Å; D9-R13 IonicContact OD2-NH2 2.66Å; D9-R13 PolarHBondContact OD2-NH2 3.25Å
10L79.4Confident70.2Confident18 Ų1879.2 Ų79.29%0.09443%0.43CS..Hα-helixtrans-66-47.8174.6-83.3-178.5000113K6 T8 E12 R13 V14 K47 Q51K6-L10 PolarHBondContact O-N 3.31Å; T8-L10 VanDerWaalsContact C-N 3.3Å; T8-L10 PolarHBondContact O-N 3.2Å; L10-E12 VanDerWaalsContact C-N 3.29Å; L10-E12 PolarHBondContact O-N 2.94Å; L10-R13 PolarHBondContact O-N 3.06Å; L10-V14 WeakPolarHBondContact O-CG2 3.35Å; L10-V14 PolarHBondContact O-N 2.89Å; L10-K47 HydrophobicContact CD2-CB 3.82Å; L10-Q51 HydrophobicContact CD1-CB 3.4Å; L10-Q51 HydrophobicContact CD1-CG 3.73Å; L10-Q51 VanDerWaalsContact CG-CD 3.44Å; L10-Q51 HydrophobicContact CG-CG 4.44Å
11T81Confident70.6Confident80 Ų8076.1 Ų76.149%0.49141%0.414SS..Hα-helixtrans-62.9-42.3-176.8-53.40000109.9E7 T8 R13 V14 E15E7-T11 PolarHBondContact O-N 3.31Å; E7-T11 VanDerWaalsContact O-N 3.17Å; E7-T11 PolarHBondContact O-OG1 3.34Å; T8-T11 PolarHBondContact O-N 3.04Å; T11-R13 PolarHBondContact O-N 3.06Å; T11-V14 PolarHBondContact O-N 3.23Å; T11-E15 WeakPolarHBondContact O-CG 3.45Å; T11-E15 PolarHBondContact O-N 2.84Å
12E84.2Confident72.7Confident142 Ų14272.1 Ų72.166%0.66439%0.39SS*.Hα-helixtrans-60.7-42.5175.4-171.4176.8-176.300112.3T8 L10 E15 A16T8-E12 WeakPolarHBondContact O-CB 3.24Å; T8-E12 PolarHBondContact O-N 2.93Å; L10-E12 VanDerWaalsContact C-N 3.29Å; L10-E12 PolarHBondContact O-N 2.94Å; E12-E15 PolarHBondContact O-N 3.49Å; E12-A16 WeakPolarHBondContact O-CB 3.46Å; E12-A16 PolarHBondContact O-N 3.04Å
13R82.6Confident74.3Confident110 Ų11075.8 Ų75.842%0.41540%0.395SS..Hα-helixtrans-66.9-38.1176.7-73.4171.5-169.6-11710113.3D9 L10 T11 A16 F17D9-R13 VanDerWaalsContact O-CG 3.23Å; D9-R13 WeakPolarHBondContact O-CG 3.28Å; D9-R13 PolarHBondContact O-N 3.35Å; D9-R13 VanDerWaalsContact O-N 3.14Å; D9-R13 IonicContact OD1-CZ 3.06Å; D9-R13 IonicContact OD1-NE 3.87Å; D9-R13 PolarHBondContact OD1-NE 3.24Å; D9-R13 IonicContact OD1-NH2 3.23Å; D9-R13 PolarHBondContact OD1-NH2 3.49Å; D9-R13 IonicContact OD2-CZ 2.76Å; D9-R13 IonicContact OD2-NE 3.75Å; D9-R13 PolarHBondContact OD2-NE 2.91Å; D9-R13 VanDerWaalsContact OD2-NE 3.14Å; D9-R13 IonicContact OD2-NH2 2.66Å; D9-R13 PolarHBondContact OD2-NH2 3.25Å; L10-R13 PolarHBondContact O-N 3.06Å; T11-R13 PolarHBondContact O-N 3.06Å; R13-A16 PolarHBondContact O-N 3.46Å; R13-F17 WeakPolarHBondContact O-CB 3.28Å; R13-F17 PolarHBondContact O-N 3.43Å
14V83.1Confident75.2Confident9 Ų976 Ų766%0.05540%0.398CS..Hα-helixtrans-63-46174.5174.20000109.4L10 T11 F17 L18 L44 I48L10-V14 WeakPolarHBondContact O-CG2 3.35Å; L10-V14 PolarHBondContact O-N 2.89Å; T11-V14 PolarHBondContact O-N 3.23Å; V14-F17 PolarHBondContact O-N 3.4Å; V14-L18 HydrophobicContact CG1-CD1 4.06Å; V14-L18 HydrophobicContact CG1-CG 4.39Å; V14-L18 VanDerWaalsContact O-CG 3.27Å; V14-L18 WeakPolarHBondContact O-CG 3.16Å; V14-L18 PolarHBondContact O-N 3.13Å; V14-L44 HydrophobicContact CG2-CD1 3.88Å; V14-L44 HydrophobicContact CG2-CD2 4.14Å; V14-L44 HydrophobicContact CG2-CG 4.29Å; V14-I48 HydrophobicContact CG2-CD1 4.37Å
15E85.5Confident75Confident89 Ų8972 Ų7242%0.41637%0.374SS..Hα-helixtrans-63.9-40.8177.1-70.6-62.3163.100112.7T11 E12 F17 L18 S19 R70T11-E15 WeakPolarHBondContact O-CG 3.45Å; T11-E15 PolarHBondContact O-N 2.84Å; E12-E15 PolarHBondContact O-N 3.49Å; E15-F17 PolarHBondContact O-N 3.1Å; E15-L18 PolarHBondContact O-N 2.99Å; E15-S19 WeakPolarHBondContact O-CB 3.44Å; E15-S19 PolarHBondContact O-N 3.43Å; E15-R70 IonicContact OE1-CZ 3.2Å; E15-R70 IonicContact OE1-NH2 3.93Å; E15-R70 PolarHBondContact OE1-NH2 2.97Å
16A84.4Confident74.4Confident51 Ų5169.6 Ų69.642%0.42137%0.367SS..Hα-helixtrans-59.9-46.5174.200000111.2E12 R13 L18 S19 D20E12-A16 WeakPolarHBondContact O-CB 3.46Å; E12-A16 PolarHBondContact O-N 3.04Å; R13-A16 PolarHBondContact O-N 3.46Å; A16-L18 PolarHBondContact O-N 3.47Å; A16-S19 WeakPolarHBondContact O-CB 3.41Å; A16-S19 PolarHBondContact O-N 2.89Å; A16-D20 WeakPolarHBondContact O-CB 3.35Å; A16-D20 PolarHBondContact O-N 2.86Å
17F83.6Confident73.7Confident14 Ų1466.4 Ų66.46%0.06137%0.371CS..Hα-helixtrans-62.6-40.3176.6-177.8-105000112.4R13 V14 E15 D20 L21 E40 T41 L44 M71R13-F17 WeakPolarHBondContact O-CB 3.28Å; R13-F17 PolarHBondContact O-N 3.43Å; V14-F17 PolarHBondContact O-N 3.4Å; E15-F17 PolarHBondContact O-N 3.1Å; F17-D20 PolarHBondContact O-N 3.45Å; F17-L21 HydrophobicContact CD1-CD1 3.77Å; F17-L21 HydrophobicContact CD1-CG 4.36Å; F17-L21 HydrophobicContact CE1-CD1 3.36Å; F17-L21 HydrophobicContact CE1-CG 4.04Å; F17-L21 HydrophobicContact CZ-CD1 3.91Å; F17-L21 HydrophobicContact CZ-CD2 4.37Å; F17-L21 HydrophobicContact CZ-CG 4.17Å; F17-L21 WeakPolarHBondContact O-CG 3.4Å; F17-L21 PolarHBondContact O-N 3.18Å; F17-E40 HydrophobicContact CE2-CB 4.02Å; F17-T41 WeakPolarHBondContact CZ-OG1 3.26Å; F17-L44 HydrophobicContact CB-CD2 4.42Å; F17-L44 HydrophobicContact CD1-CD2 3.92Å; F17-L44 HydrophobicContact CE1-CD2 4.46Å; F17-L44 HydrophobicContact CG-CD2 4.25Å; F17-M71 HydrophobicContact CD1-SD 4.31Å; F17-M71 HydrophobicContact CE1-SD 4.03Å
18L84.4Confident72.3Confident7 Ų765.9 Ų65.94%0.03738%0.384CS..Hα-helixtrans-64.7-42175.2-72.1173.3000112.1V14 E15 A16 D20 L21 K22 M71 A74V14-L18 HydrophobicContact CG1-CD1 4.06Å; V14-L18 HydrophobicContact CG1-CG 4.39Å; V14-L18 VanDerWaalsContact O-CG 3.27Å; V14-L18 WeakPolarHBondContact O-CG 3.16Å; V14-L18 PolarHBondContact O-N 3.13Å; E15-L18 PolarHBondContact O-N 2.99Å; A16-L18 PolarHBondContact O-N 3.47Å; L18-D20 VanDerWaalsContact C-N 3.33Å; L18-L21 PolarHBondContact O-N 3.02Å; L18-K22 WeakPolarHBondContact O-CG 3.32Å; L18-K22 PolarHBondContact O-N 3.08Å; L18-M71 HydrophobicContact CD2-CB 4.26Å; L18-M71 HydrophobicContact CD2-CG 3.77Å; L18-A74 HydrophobicContact CD2-CB 3.92Å
19S82.8Confident70.9Confident70 Ų7062.9 Ų62.949%0.4937%0.37SS..Hα-helixtrans-61.6-43.5175.1-172.60000111E15 A16 K22 R23E15-S19 WeakPolarHBondContact O-CB 3.44Å; E15-S19 PolarHBondContact O-N 3.43Å; A16-S19 WeakPolarHBondContact O-CB 3.41Å; A16-S19 PolarHBondContact O-N 2.89Å; S19-K22 PolarHBondContact O-N 3.17Å; S19-R23 WeakPolarHBondContact O-CB 3.41Å; S19-R23 PolarHBondContact O-N 3.28Å
20D80.5Confident69Low62 Ų6266.1 Ų66.133%0.33240%0.395SS..Hα-helixtrans-65.1-40.5176.4-78-27.8000112.7A16 F17 L18 R23 G24A16-D20 WeakPolarHBondContact O-CB 3.35Å; A16-D20 PolarHBondContact O-N 2.86Å; F17-D20 PolarHBondContact O-N 3.45Å; L18-D20 VanDerWaalsContact C-N 3.33Å; D20-R23 PolarHBondContact O-N 2.94Å; D20-R23 IonicContact OD1-CZ 3.36Å; D20-R23 IonicContact OD1-NE 2.94Å; D20-R23 IonicContact OD1-NH2 3.14Å; D20-R23 PolarHBondContact OD1-NH2 2.63Å; D20-G24 PolarHBondContact O-N 2.79Å
21L79.3Confident67.6Low16 Ų1670.9 Ų70.98%0.08442%0.42CS..Hα-helixtrans-61.4-44.1173.8-79.4173.4000112F17 L18 G25 T37 V81F17-L21 HydrophobicContact CD1-CD1 3.77Å; F17-L21 HydrophobicContact CD1-CG 4.36Å; F17-L21 HydrophobicContact CE1-CD1 3.36Å; F17-L21 HydrophobicContact CE1-CG 4.04Å; F17-L21 HydrophobicContact CZ-CD1 3.91Å; F17-L21 HydrophobicContact CZ-CD2 4.37Å; F17-L21 HydrophobicContact CZ-CG 4.17Å; F17-L21 WeakPolarHBondContact O-CG 3.4Å; F17-L21 PolarHBondContact O-N 3.18Å; L18-L21 PolarHBondContact O-N 3.02Å; L21-G25 PolarHBondContact O-N 3.08Å; L21-T37 HydrophobicContact CD2-CG2 4.3Å; L21-V81 HydrophobicContact CD1-CG2 4.37Å; L21-V81 HydrophobicContact CD2-CG2 4.1Å
22K80.4Confident66.8Low130 Ų13071.2 Ų71.257%0.56541%0.412SS*.Hα-helixtrans-64.6-42.4177.2-72.8175.4-179.6178.90111.6L18 S19 G25 A74L18-K22 WeakPolarHBondContact O-CG 3.32Å; L18-K22 PolarHBondContact O-N 3.08Å; S19-K22 PolarHBondContact O-N 3.17Å; K22-G25 WeakPolarHBondContact O-CA 3.27Å; K22-G25 PolarHBondContact O-N 2.94Å; K22-G25 VanDerWaalsContact O-N 3.16Å; K22-A74 HydrophobicContact CG-CB 4.11Å
23R73.3Confident66.3Low150 Ų15064.9 Ų64.957%0.56639%0.385SS*.Hα-helixtrans-71.9-36.7179.6-172.7174.760.3168.8-3112.9S19 D20 G25 S26S19-R23 WeakPolarHBondContact O-CB 3.41Å; S19-R23 PolarHBondContact O-N 3.28Å; D20-R23 PolarHBondContact O-N 2.94Å; D20-R23 IonicContact OD1-CZ 3.36Å; D20-R23 IonicContact OD1-NE 2.94Å; D20-R23 IonicContact OD1-NH2 3.14Å; D20-R23 PolarHBondContact OD1-NH2 2.63Å; R23-G25 PolarHBondContact O-N 3.29Å; R23-S26 PolarHBondContact O-N 2.64Å; R23-S26 VanDerWaalsContact O-N 3.15Å; R23-S26 PolarHBondContact O-OG 2.88Å
24G59.8Low66.3Low42 Ų4260.8 Ų60.843%0.43337%0.373SS..Hα-helixtrans-61.8-21.3170.200000112.5D20D20-G24 PolarHBondContact O-N 2.79Å
25G51.3Low66.5Low13 Ų1362.2 Ų62.213%0.13439%0.386CS..Hα-helixtrans-68.1-32.117300000115.5L21 K22 R23 G27 K291L21-G25 PolarHBondContact O-N 3.08Å; K22-G25 WeakPolarHBondContact O-CA 3.27Å; K22-G25 PolarHBondContact O-N 2.94Å; K22-G25 VanDerWaalsContact O-N 3.16Å; R23-G25 PolarHBondContact O-N 3.29Å; G25-G27 VanDerWaalsContact C-N 3.32Å; G25-G27 PolarHBondContact O-N 2.81Å; G25-K291 WeakPolarHBondContact O-CE 3.38Å; G25-K291 PolarHBondContact O-NZ 2.89Å
26S42.6Very low66.6Low79 Ų7961.7 Ų61.755%0.55238%0.384SS*.THydrogen-bonded Turntrans-85.15.1-170.461.20000115.1R23 A28R23-S26 PolarHBondContact O-N 2.64Å; R23-S26 VanDerWaalsContact O-N 3.15Å; R23-S26 PolarHBondContact O-OG 2.88Å; S26-A28 PolarHBondContact O-N 3.45Å
27G43.8Very low66.8Low61 Ų6159.6 Ų59.663%0.62937%0.365SS*.THydrogen-bonded Turntrans74.62.517600000115.1G25G25-G27 VanDerWaalsContact C-N 3.32Å; G25-G27 PolarHBondContact O-N 2.81Å
28A31.3Very low67.1Low91 Ų9158.9 Ų58.975%0.75236%0.362SS*.  trans-107.27.5-175.700000114.5S26S26-A28 PolarHBondContact O-N 3.45Å
29G36.5Very low67.4Low25 Ų2563.9 Ų63.926%0.25838%0.381SS..SBendtrans-117.7157.9177.400000112L31G29-L31 PolarHBondContact O-N 2.97Å; G29-L31 VanDerWaalsContact O-N 3.17Å
30P38.7Very low67.7Low130 Ų13063.1 Ų63.184%0.84437%0.369SS*.  trans-54.1126174.221.5-30.5000109.4R32P30-R32 PolarHBondContact O-N 3.42Å
31L50.3Low68.3Low117 Ų11760.1 Ų60.161%0.61335%0.353SS*.  trans-57.699.1178.6-72.6161.7000108.8G29 G33G29-L31 PolarHBondContact O-N 2.97Å; G29-L31 VanDerWaalsContact O-N 3.17Å; L31-G33 PolarHBondContact O-N 3.32Å
32R64.2Low68.9Low87 Ų8759.4 Ų59.433%0.32835%0.349SS..  trans-63.3133.3177.5-156.5-178.5-149.416922.1108.9P30 S34 E36 E40P30-R32 PolarHBondContact O-N 3.42Å; R32-S34 PolarHBondContact O-N 3.17Å; R32-E36 HydrophobicContact CG-CB 4.34Å; R32-E36 HydrophobicContact CG-CG 4.29Å; R32-E36 IonicContact NE-OE1 3.79Å; R32-E40 IonicContact CZ-OE1 3.45Å; R32-E40 VanDerWaalsContact CZ-OE1 3.28Å; R32-E40 IonicContact CZ-OE2 3.59Å; R32-E40 IonicContact NE-OE1 3.77Å; R32-E40 IonicContact NE-OE2 2.66Å; R32-E40 IonicContact NH1-OE1 3.65Å; R32-E40 IonicContact NH1-OE2 3.24Å; R32-E40 PolarHBondContact NH1-OE2 3.4Å; R32-E40 IonicContact NH2-OE1 3.1Å; R32-E40 PolarHBondContact NH2-OE1 3.47Å; R32-E40 IonicContact NH2-OE2 3.6Å; R32-E40 PolarHBondContact NH2-OE2 3.32Å
33G73Confident69.4Low10 Ų1054.5 Ų54.510%0.10333%0.333CS..  trans-67.2136.3179.100000110.5L31 A35 E36 T37L31-G33 PolarHBondContact O-N 3.32Å; G33-A35 PolarHBondContact O-N 2.86Å; G33-A35 VanDerWaalsContact O-N 3.16Å; G33-E36 WeakPolarHBondContact O-CA 3.32Å; G33-E36 WeakPolarHBondContact O-CB 3.35Å; G33-E36 PolarHBondContact O-N 3.49Å; G33-T37 PolarHBondContact O-N 3.47Å; G33-T37 PolarHBondContact O-OG1 2.81Å
34S84.4Confident70.3Confident23 Ų2348 Ų4816%0.16131%0.31CS..Hα-helixtrans-48.8-40.7173.9480000113.4R32 T37 A38 K277R32-S34 PolarHBondContact O-N 3.17Å; S34-T37 PolarHBondContact O-N 3.41Å; S34-A38 WeakPolarHBondContact O-CB 3.47Å; S34-A38 PolarHBondContact O-N 2.89Å; S34-K277 WeakPolarHBondContact OG-CE 3.33Å; S34-K277 PolarHBondContact OG-NZ 3.18Å
35A86.1Confident71.8Confident39 Ų3946 Ų4632%0.32229%0.289SS..Hα-helixtrans-64.3-38.7175.400000113.3G33 A38 R39 F276G33-A35 PolarHBondContact O-N 2.86Å; G33-A35 VanDerWaalsContact O-N 3.16Å; A35-A38 PolarHBondContact O-N 3.21Å; A35-R39 WeakPolarHBondContact O-CB 3.42Å; A35-R39 PolarHBondContact O-N 3.14Å; A35-F276 HydrophobicContact CB-CE1 4.4Å; A35-F276 HydrophobicContact CB-CZ 3.82Å
36E87.5Confident73.8Confident79 Ų7949.5 Ų49.537%0.36930%0.298SS..Hα-helixtrans-68.8-43.2178.1-172.4-173.9164.400110.5R32 G33 A38 R39 E40R32-E36 HydrophobicContact CG-CB 4.34Å; R32-E36 HydrophobicContact CG-CG 4.29Å; R32-E36 IonicContact NE-OE1 3.79Å; G33-E36 WeakPolarHBondContact O-CA 3.32Å; G33-E36 WeakPolarHBondContact O-CB 3.35Å; G33-E36 PolarHBondContact O-N 3.49Å; E36-A38 VanDerWaalsContact C-N 3.34Å; E36-A38 PolarHBondContact O-N 3.27Å; E36-R39 PolarHBondContact O-N 2.93Å; E36-E40 WeakPolarHBondContact O-CB 3.47Å; E36-E40 WeakPolarHBondContact O-CG 3.29Å; E36-E40 PolarHBondContact O-N 2.9Å
37T88.4Confident76.1Confident6 Ų649 Ų494%0.03729%0.286CS..Hα-helixtrans-58.9-44.1173.1-54.70000111.6L21 G33 S34 E40 T41 E78 V81L21-T37 HydrophobicContact CD2-CG2 4.3Å; G33-T37 PolarHBondContact O-N 3.47Å; G33-T37 PolarHBondContact O-OG1 2.81Å; S34-T37 PolarHBondContact O-N 3.41Å; T37-E40 PolarHBondContact O-N 3.43Å; T37-T41 WeakPolarHBondContact O-CB 3.46Å; T37-T41 PolarHBondContact O-N 3.19Å; T37-T41 PolarHBondContact O-OG1 3.2Å; T37-E78 HydrophobicContact CG2-CG 4.36Å; T37-V81 HydrophobicContact CG2-CG2 3.61Å
38A90.2Very high78.2Confident0 Ų046.8 Ų46.80%026%0.26CS..Hα-helixtrans-61.3-46.517600000111.8S34 A35 E36 T41 T42 T80 M84 L148 F276S34-A38 WeakPolarHBondContact O-CB 3.47Å; S34-A38 PolarHBondContact O-N 2.89Å; A35-A38 PolarHBondContact O-N 3.21Å; E36-A38 VanDerWaalsContact C-N 3.34Å; E36-A38 PolarHBondContact O-N 3.27Å; A38-T41 PolarHBondContact O-N 3.24Å; A38-T42 WeakPolarHBondContact O-CB 3.09Å; A38-T42 PolarHBondContact O-N 3.05Å; A38-T42 PolarHBondContact O-OG1 2.86Å; A38-T80 HydrophobicContact CB-CG2 3.63Å; A38-M84 HydrophobicContact CB-CG 3.96Å; A38-M84 HydrophobicContact CB-SD 4.19Å; A38-L148 HydrophobicContact CB-CD1 4.33Å; A38-F276 HydrophobicContact CB-CD2 4.03Å; A38-F276 HydrophobicContact CB-CE2 4.36Å; A38-F276 HydrophobicContact CB-CG 4.26Å
39R91.4Very high80.9Confident112 Ų11242.5 Ų42.542%0.42322%0.224SC..Hα-helixtrans-62.3-44.7179.5-167.4-172.875.9109.22.2111.6A35 E36 T42 A43 L145 E149A35-R39 WeakPolarHBondContact O-CB 3.42Å; A35-R39 PolarHBondContact O-N 3.14Å; E36-R39 PolarHBondContact O-N 2.93Å; R39-T42 PolarHBondContact O-N 2.89Å; R39-A43 VanDerWaalsContact O-CB 3.29Å; R39-A43 WeakPolarHBondContact O-CB 3.5Å; R39-A43 PolarHBondContact O-N 2.92Å; R39-L145 HydrophobicContact CG-CD2 3.91Å; R39-L145 WeakPolarHBondContact O-CD2 3.44Å; R39-E149 IonicContact NH1-OE1 3.82Å
40E89.8Confident83.4Confident53 Ų5343.3 Ų43.325%0.24823%0.229CC..Hα-helixtrans-69.5-40.7179.5-75-164.7-163.900113.5F17 R32 E36 T37 T42 A43 L44F17-E40 HydrophobicContact CE2-CB 4.02Å; R32-E40 IonicContact CZ-OE1 3.45Å; R32-E40 VanDerWaalsContact CZ-OE1 3.28Å; R32-E40 IonicContact CZ-OE2 3.59Å; R32-E40 IonicContact NE-OE1 3.77Å; R32-E40 IonicContact NE-OE2 2.66Å; R32-E40 IonicContact NH1-OE1 3.65Å; R32-E40 IonicContact NH1-OE2 3.24Å; R32-E40 PolarHBondContact NH1-OE2 3.4Å; R32-E40 IonicContact NH2-OE1 3.1Å; R32-E40 PolarHBondContact NH2-OE1 3.47Å; R32-E40 IonicContact NH2-OE2 3.6Å; R32-E40 PolarHBondContact NH2-OE2 3.32Å; E36-E40 WeakPolarHBondContact O-CB 3.47Å; E36-E40 WeakPolarHBondContact O-CG 3.29Å; E36-E40 PolarHBondContact O-N 2.9Å; T37-E40 PolarHBondContact O-N 3.43Å; E40-T42 VanDerWaalsContact C-N 3.31Å; E40-T42 PolarHBondContact O-N 3.16Å; E40-A43 PolarHBondContact O-N 2.81Å; E40-L44 WeakPolarHBondContact O-CB 3.45Å; E40-L44 PolarHBondContact O-N 2.86Å
41T91.4Very high85.7Confident0 Ų040 Ų400%020%0.202CC..Hα-helixtrans-57.3-49.1173.3-55.60000109.9F17 T37 A38 A43 L44 L45 V81 M84 I85F17-T41 WeakPolarHBondContact CZ-OG1 3.26Å; T37-T41 WeakPolarHBondContact O-CB 3.46Å; T37-T41 PolarHBondContact O-N 3.19Å; T37-T41 PolarHBondContact O-OG1 3.2Å; A38-T41 PolarHBondContact O-N 3.24Å; T41-A43 PolarHBondContact O-N 3.11Å; T41-L44 WeakPolarHBondContact O-CB 3.33Å; T41-L44 PolarHBondContact O-N 2.87Å; T41-L45 HydrophobicContact CG2-CD1 4.15Å; T41-L45 VanDerWaalsContact O-CG 3.31Å; T41-L45 WeakPolarHBondContact O-CG 2.88Å; T41-L45 PolarHBondContact O-N 3.32Å; T41-V81 HydrophobicContact CG2-CB 4.49Å; T41-V81 HydrophobicContact CG2-CG1 3.81Å; T41-M84 HydrophobicContact CG2-CB 4.01Å; T41-I85 HydrophobicContact CG2-CG1 4.41Å
42T92.4Very high87.2Confident0 Ų035.2 Ų35.20%018%0.18CC..Hα-helixtrans-64.9-40.2-179.6-51.30000111.6A38 R39 E40 L44 L45 R46 I141 L144 L145A38-T42 WeakPolarHBondContact O-CB 3.09Å; A38-T42 PolarHBondContact O-N 3.05Å; A38-T42 PolarHBondContact O-OG1 2.86Å; R39-T42 PolarHBondContact O-N 2.89Å; E40-T42 VanDerWaalsContact C-N 3.31Å; E40-T42 PolarHBondContact O-N 3.16Å; T42-L44 VanDerWaalsContact C-N 3.33Å; T42-L44 PolarHBondContact O-N 2.82Å; T42-L45 PolarHBondContact O-N 2.8Å; T42-R46 PolarHBondContact O-N 3.17Å; T42-I141 HydrophobicContact CG2-CG2 3.77Å; T42-L144 HydrophobicContact CG2-CD2 3.95Å; T42-L144 HydrophobicContact CG2-CG 4.29Å; T42-L145 HydrophobicContact CG2-CD1 4.5Å; T42-L145 HydrophobicContact CG2-CD2 3.74Å; T42-L145 HydrophobicContact CG2-CG 3.73Å
43A91.8Very high88Confident28 Ų2838.5 Ų38.523%0.23119%0.192CC..Hα-helixtrans-65.7-34.8175.500000112.8R39 E40 T41 K47R39-A43 VanDerWaalsContact O-CB 3.29Å; R39-A43 WeakPolarHBondContact O-CB 3.5Å; R39-A43 PolarHBondContact O-N 2.92Å; E40-A43 PolarHBondContact O-N 2.81Å; T41-A43 PolarHBondContact O-N 3.11Å; A43-K47 WeakPolarHBondContact O-CG 3.32Å; A43-K47 PolarHBondContact O-N 2.92Å
44L90.9Very high88.5Confident14 Ų1439.7 Ų39.77%0.07319%0.193CC..Hα-helixtrans-67.9-46.9174-174.564.4000110.8V14 F17 E40 T41 T42 R46 K47 I48 M71V14-L44 HydrophobicContact CG2-CD1 3.88Å; V14-L44 HydrophobicContact CG2-CD2 4.14Å; V14-L44 HydrophobicContact CG2-CG 4.29Å; F17-L44 HydrophobicContact CB-CD2 4.42Å; F17-L44 HydrophobicContact CD1-CD2 3.92Å; F17-L44 HydrophobicContact CE1-CD2 4.46Å; F17-L44 HydrophobicContact CG-CD2 4.25Å; E40-L44 WeakPolarHBondContact O-CB 3.45Å; E40-L44 PolarHBondContact O-N 2.86Å; T41-L44 WeakPolarHBondContact O-CB 3.33Å; T41-L44 PolarHBondContact O-N 2.87Å; T42-L44 VanDerWaalsContact C-N 3.33Å; T42-L44 PolarHBondContact O-N 2.82Å; L44-R46 VanDerWaalsContact C-N 3.3Å; L44-R46 PolarHBondContact O-N 2.88Å; L44-K47 WeakPolarHBondContact O-CB 2.96Å; L44-K47 PolarHBondContact O-N 3.4Å; L44-I48 HydrophobicContact CG-CD1 4.13Å; L44-I48 WeakPolarHBondContact O-CG1 3.34Å; L44-I48 PolarHBondContact O-N 2.87Å; L44-M71 HydrophobicContact CD2-SD 4.28Å
45L91.6Very high88.1Confident0 Ų042.3 Ų42.30%021%0.211CC..Hα-helixtrans-59.8-39.1176-69.4173.6000112.2T41 T42 K47 I48 T49 I64 M71 I85 V88T41-L45 HydrophobicContact CG2-CD1 4.15Å; T41-L45 VanDerWaalsContact O-CG 3.31Å; T41-L45 WeakPolarHBondContact O-CG 2.88Å; T41-L45 PolarHBondContact O-N 3.32Å; T42-L45 PolarHBondContact O-N 2.8Å; L45-K47 VanDerWaalsContact C-N 3.34Å; L45-K47 PolarHBondContact O-N 2.76Å; L45-I48 HydrophobicContact CD2-CD1 4.48Å; L45-I48 PolarHBondContact O-N 3.38Å; L45-T49 WeakPolarHBondContact O-CB 3.32Å; L45-T49 PolarHBondContact O-N 3.18Å; L45-T49 PolarHBondContact O-OG1 3.15Å; L45-I64 HydrophobicContact CD2-CG2 4.18Å; L45-M71 HydrophobicContact CD2-CE 4.4Å; L45-I85 HydrophobicContact CD1-CB 4.47Å; L45-I85 HydrophobicContact CD1-CG1 3.94Å; L45-I85 HydrophobicContact CD2-CG1 4.4Å; L45-V88 HydrophobicContact CB-CG2 4.45Å; L45-V88 HydrophobicContact CD1-CB 4.09Å; L45-V88 HydrophobicContact CD1-CG2 3.75Å
46R93.1Very high88Confident86 Ų8641 Ų4133%0.32520%0.2SC..Hα-helixtrans-57.8-46.6171.9-169.4-17564.9171.60.4111.7T42 L44 T49 A50 I138 I141 N142T42-R46 PolarHBondContact O-N 3.17Å; L44-R46 VanDerWaalsContact C-N 3.3Å; L44-R46 PolarHBondContact O-N 2.88Å; R46-T49 PolarHBondContact O-N 3.25Å; R46-A50 WeakPolarHBondContact O-CB 3.3Å; R46-A50 PolarHBondContact O-N 3.32Å; R46-I138 HydrophobicContact CG-CG2 4.41Å; R46-I141 HydrophobicContact CB-CG2 3.72Å; R46-I141 HydrophobicContact CG-CG2 4.08Å; R46-N142 WeakPolarHBondContact CD-OD1 3.5Å; R46-N142 PolarHBondContact NH1-OD1 3.39Å
47K90.6Very high87.8Confident69 Ų6937.2 Ų37.230%0.318%0.183SC..Hα-helixtrans-66.1-42179.8-73.9178.9-179.3177.70111.8L10 A43 L44 L45 T49 A50 Q51L10-K47 HydrophobicContact CD2-CB 3.82Å; A43-K47 WeakPolarHBondContact O-CG 3.32Å; A43-K47 PolarHBondContact O-N 2.92Å; L44-K47 WeakPolarHBondContact O-CB 2.96Å; L44-K47 PolarHBondContact O-N 3.4Å; L45-K47 VanDerWaalsContact C-N 3.34Å; L45-K47 PolarHBondContact O-N 2.76Å; K47-T49 VanDerWaalsContact C-N 3.35Å; K47-A50 PolarHBondContact O-N 2.98Å; K47-Q51 WeakPolarHBondContact O-CG 3.41Å; K47-Q51 PolarHBondContact O-N 3.2Å
48I89.3Confident87.6Confident14 Ų1437.8 Ų37.87%0.07219%0.189CC..Hα-helixtrans-58.4-49.7174.5-67.9167000109.4V14 L44 L45 A50 Q51 A52 I63V14-I48 HydrophobicContact CG2-CD1 4.37Å; L44-I48 HydrophobicContact CG-CD1 4.13Å; L44-I48 WeakPolarHBondContact O-CG1 3.34Å; L44-I48 PolarHBondContact O-N 2.87Å; L45-I48 HydrophobicContact CD2-CD1 4.48Å; L45-I48 PolarHBondContact O-N 3.38Å; I48-A50 VanDerWaalsContact C-N 3.31Å; I48-A50 PolarHBondContact O-N 3.03Å; I48-Q51 PolarHBondContact O-N 2.88Å; I48-A52 WeakPolarHBondContact O-CB 3.43Å; I48-A52 PolarHBondContact O-N 2.7Å; I48-I63 HydrophobicContact CG2-CG2 4.08Å
49T88.1Confident87.5Confident0 Ų040.7 Ų40.70%021%0.205CC..Hα-helixtrans-61.3-38.5179.8-54.40000112.6L45 R46 K47 W54 L60 K134 V137 I138L45-T49 WeakPolarHBondContact O-CB 3.32Å; L45-T49 PolarHBondContact O-N 3.18Å; L45-T49 PolarHBondContact O-OG1 3.15Å; R46-T49 PolarHBondContact O-N 3.25Å; K47-T49 VanDerWaalsContact C-N 3.35Å; T49-W54 PolarHBondContact O-NE1 2.94Å; T49-L60 HydrophobicContact CG2-CD1 4.18Å; T49-L60 HydrophobicContact CG2-CD2 3.97Å; T49-K134 VanDerWaalsContact O-CE 3.31Å; T49-K134 WeakPolarHBondContact O-CE 3.34Å; T49-V137 HydrophobicContact CG2-CG1 3.9Å; T49-I138 HydrophobicContact CG2-CG1 4.37Å
50A87.9Confident87.3Confident43 Ų4335.3 Ų35.336%0.35519%0.185SC..Hα-helixtrans-70.2-39179.800000113.2R46 K47 I48 K134 I138R46-A50 WeakPolarHBondContact O-CB 3.3Å; R46-A50 PolarHBondContact O-N 3.32Å; K47-A50 PolarHBondContact O-N 2.98Å; I48-A50 VanDerWaalsContact C-N 3.31Å; I48-A50 PolarHBondContact O-N 3.03Å; A50-K134 VanDerWaalsContact O-CE 3.24Å; A50-K134 WeakPolarHBondContact O-CE 3.48Å; A50-K134 PolarHBondContact O-NZ 2.94Å; A50-I138 HydrophobicContact CB-CD1 4.04Å
51Q86.6Confident87.3Confident59 Ų5932.9 Ų32.928%0.27617%0.173SC..Hα-helixtrans-96.7-27.2-173.5-59.1-169.233.500113.8K6 L10 K47 I48K6-Q51 PolarHBondContact O-OE1 3.4Å; L10-Q51 HydrophobicContact CD1-CB 3.4Å; L10-Q51 HydrophobicContact CD1-CG 3.73Å; L10-Q51 VanDerWaalsContact CG-CD 3.44Å; L10-Q51 HydrophobicContact CG-CG 4.44Å; K47-Q51 WeakPolarHBondContact O-CG 3.41Å; K47-Q51 PolarHBondContact O-N 3.2Å; I48-Q51 PolarHBondContact O-N 2.88Å
52A82.8Confident87.2Confident18 Ų1839.3 Ų39.315%0.14920%0.203CC..SBendtrans-59.2139.9176.300000110.9I48 I63 K134I48-A52 WeakPolarHBondContact O-CB 3.43Å; I48-A52 PolarHBondContact O-N 2.7Å; A52-I63 HydrophobicContact CB-CD1 4.34Å; A52-K134 PolarHBondContact O-NZ 2.98Å
53R81.3Confident87.1Confident156 Ų15642 Ų4259%0.58922%0.217SC*.  trans-92.3109.8170.9-61.3-175.3-172.7-173.34.2107.7P2P2-R53 PolarHBondContact O-NH2 3.23Å
54W82.6Confident87.1Confident35 Ų3540.7 Ų40.713%0.13321%0.206CC..  trans-135.4145.4177.651.6-91.6000108.9T49 D59 L60 L133 K134T49-W54 PolarHBondContact O-NE1 2.94Å; W54-D59 HydrophobicContact CB-CB 4.11Å; W54-L60 HydrophobicContact CB-CB 4.29Å; W54-L60 HydrophobicContact CD2-CB 3.95Å; W54-L60 HydrophobicContact CD2-CD2 4.24Å; W54-L60 HydrophobicContact CD2-CG 4.46Å; W54-L60 HydrophobicContact CE3-CB 4.28Å; W54-L60 HydrophobicContact CG-CB 3.96Å; W54-L60 HydrophobicContact CG-CD1 4.27Å; W54-L60 HydrophobicContact CH2-CD2 4.22Å; W54-L60 HydrophobicContact CZ2-CD2 3.76Å; W54-L133 HydrophobicContact CH2-CB 4.36Å; W54-L133 HydrophobicContact CH2-CD2 4.13Å; W54-L133 HydrophobicContact CH2-CG 4.1Å; W54-L133 HydrophobicContact CZ3-CD2 3.99Å; W54-L133 HydrophobicContact CZ3-CG 4.45Å; W54-K134 HydrophobicContact CH2-CB 3.73Å; W54-K134 HydrophobicContact CH2-CG 4.4Å; W54-K134 HydrophobicContact CZ2-CB 3.51Å; W54-K134 HydrophobicContact CZ2-CD 3.95Å; W54-K134 HydrophobicContact CZ2-CG 3.67Å
55S76.3Confident87.2Confident77 Ų7742.4 Ų42.454%0.53821%0.212SC..SBendtrans-107.5-26.9-177.266.50000112D59 H129S55-D59 PolarHBondContact N-OD2 2.97Å; S55-D59 PolarHBondContact OG-OD2 3.21Å; S55-H129 PolarHBondContact O-ND1 2.92Å
56S83.1Confident87.1Confident11 Ų1148.7 Ų48.78%0.07724%0.239CC..SBendtrans-127.5153.7-176.8141.80000109.7G58 D59 L60 F126S56-G58 PolarHBondContact O-N 3.22Å; S56-G58 PolarHBondContact OG-N 3.14Å; S56-D59 PolarHBondContact N-OD2 3.4Å; S56-D59 VanDerWaalsContact N-OD2 3.15Å; S56-D59 PolarHBondContact O-N 2.85Å; S56-L60 PolarHBondContact O-N 3.19Å; S56-F126 PolarHBondContact OG-O 3.28Å
57A83.8Confident86.9Confident1 Ų146.2 Ų46.21%0.00823%0.231CC..Hα-helixtrans-63.1-31.3174.300000111.2L60 M61 I92 Y96 F126 L133A57-L60 PolarHBondContact O-N 2.78Å; A57-M61 WeakPolarHBondContact O-CG 3.48Å; A57-M61 PolarHBondContact O-N 3.01Å; A57-I92 HydrophobicContact CB-CG2 4.45Å; A57-Y96 HydrophobicContact CB-CD2 3.54Å; A57-Y96 HydrophobicContact CB-CE2 3.97Å; A57-Y96 HydrophobicContact CB-CG 4.02Å; A57-F126 HydrophobicContact CB-CB 4.36Å; A57-F126 HydrophobicContact CB-CD1 4.34Å; A57-F126 PolarHBondContact N-O 3.05Å; A57-L133 HydrophobicContact CB-CD2 3.98Å
58G85.4Confident86.8Confident17 Ų1743 Ų4318%0.17522%0.217CC..Hα-helixtrans-60.3-46.6174.400000112.5S56 L60 M61 E62S56-G58 PolarHBondContact O-N 3.22Å; S56-G58 PolarHBondContact OG-N 3.14Å; G58-L60 VanDerWaalsContact C-N 3.28Å; G58-L60 PolarHBondContact O-N 2.9Å; G58-M61 PolarHBondContact O-N 3.27Å; G58-E62 PolarHBondContact O-N 2.96Å
59D86.3Confident86.8Confident61 Ų6148.2 Ų48.233%0.32624%0.236SC..Hα-helixtrans-59.6-42.9179.3-49.8-14.7000110.5W54 S55 S56 E62 I63W54-D59 HydrophobicContact CB-CB 4.11Å; S55-D59 PolarHBondContact N-OD2 2.97Å; S55-D59 PolarHBondContact OG-OD2 3.21Å; S56-D59 PolarHBondContact N-OD2 3.4Å; S56-D59 VanDerWaalsContact N-OD2 3.15Å; S56-D59 PolarHBondContact O-N 2.85Å; D59-E62 PolarHBondContact O-N 2.81Å; D59-I63 VanDerWaalsContact O-CG1 3.26Å; D59-I63 WeakPolarHBondContact O-CG1 3.4Å; D59-I63 PolarHBondContact O-N 3.46Å
60L88.2Confident86.9Confident0 Ų052.6 Ų52.60%025%0.252CS..Hα-helixtrans-64.5-44.9178.2177.961.7000111.6T49 W54 S56 A57 G58 E62 I63 I64 I92T49-L60 HydrophobicContact CG2-CD1 4.18Å; T49-L60 HydrophobicContact CG2-CD2 3.97Å; W54-L60 HydrophobicContact CB-CB 4.29Å; W54-L60 HydrophobicContact CD2-CB 3.95Å; W54-L60 HydrophobicContact CD2-CD2 4.24Å; W54-L60 HydrophobicContact CD2-CG 4.46Å; W54-L60 HydrophobicContact CE3-CB 4.28Å; W54-L60 HydrophobicContact CG-CB 3.96Å; W54-L60 HydrophobicContact CG-CD1 4.27Å; W54-L60 HydrophobicContact CH2-CD2 4.22Å; W54-L60 HydrophobicContact CZ2-CD2 3.76Å; S56-L60 PolarHBondContact O-N 3.19Å; A57-L60 PolarHBondContact O-N 2.78Å; G58-L60 VanDerWaalsContact C-N 3.28Å; G58-L60 PolarHBondContact O-N 2.9Å; L60-E62 VanDerWaalsContact C-N 3.32Å; L60-E62 PolarHBondContact O-N 2.97Å; L60-I63 PolarHBondContact O-N 3.13Å; L60-I64 HydrophobicContact CD1-CD1 3.87Å; L60-I64 HydrophobicContact CD1-CG1 4.27Å; L60-I64 HydrophobicContact CG-CD1 3.93Å; L60-I64 WeakPolarHBondContact O-CG1 3.35Å; L60-I64 PolarHBondContact O-N 3.3Å; L60-I92 HydrophobicContact CD2-CD1 3.72Å; L60-I92 HydrophobicContact CD2-CG1 4.06Å; L60-I92 HydrophobicContact CD2-CG2 4.25Å; L60-I92 HydrophobicContact CG-CD1 3.97Å
61M89.7Confident86.9Confident2 Ų250.7 Ų50.71%0.0124%0.236CC..Hα-helixtrans-61.7-40.2177.1-72.5-172.1-69.800111.6A57 G58 I64 R65 L89 I92 R93 F126A57-M61 WeakPolarHBondContact O-CG 3.48Å; A57-M61 PolarHBondContact O-N 3.01Å; G58-M61 PolarHBondContact O-N 3.27Å; M61-I64 PolarHBondContact O-N 3.29Å; M61-R65 WeakPolarHBondContact O-CB 3.38Å; M61-R65 VanDerWaalsContact O-CG 3.31Å; M61-R65 WeakPolarHBondContact O-CG 3.35Å; M61-R65 PolarHBondContact O-N 2.87Å; M61-L89 HydrophobicContact CB-CD2 3.96Å; M61-L89 HydrophobicContact CG-CD2 3.97Å; M61-I92 HydrophobicContact CG-CG2 3.9Å; M61-R93 HydrophobicContact SD-CG 3.78Å; M61-F126 HydrophobicContact CE-CB 4.28Å; M61-F126 HydrophobicContact CE-CD1 3.63Å; M61-F126 HydrophobicContact CE-CD2 3.59Å; M61-F126 HydrophobicContact CE-CE1 3.76Å; M61-F126 HydrophobicContact CE-CE2 3.7Å; M61-F126 HydrophobicContact CE-CG 3.56Å; M61-F126 HydrophobicContact CE-CZ 3.78Å
62E90Very high86.8Confident135 Ų13549.3 Ų49.363%0.63123%0.232SC*.Hα-helixtrans-63.7-42.2175.4-75.7-167.9161.800112.7G58 D59 L60 I64 R65 K66G58-E62 PolarHBondContact O-N 2.96Å; D59-E62 PolarHBondContact O-N 2.81Å; L60-E62 VanDerWaalsContact C-N 3.32Å; L60-E62 PolarHBondContact O-N 2.97Å; E62-I64 VanDerWaalsContact C-N 3.34Å; E62-I64 PolarHBondContact O-N 3.48Å; E62-R65 PolarHBondContact O-N 3.11Å; E62-K66 WeakPolarHBondContact O-CB 3.44Å; E62-K66 PolarHBondContact O-N 2.92Å
63I90.3Very high87Confident56 Ų5652.2 Ų52.229%0.28726%0.255SS..Hα-helixtrans-59.8-47.4175.8-68.6164.6000110.1I48 A52 D59 L60 K66 E67I48-I63 HydrophobicContact CG2-CG2 4.08Å; A52-I63 HydrophobicContact CB-CD1 4.34Å; D59-I63 VanDerWaalsContact O-CG1 3.26Å; D59-I63 WeakPolarHBondContact O-CG1 3.4Å; D59-I63 PolarHBondContact O-N 3.46Å; L60-I63 PolarHBondContact O-N 3.13Å; I63-K66 PolarHBondContact O-N 3.28Å; I63-E67 PolarHBondContact O-N 2.87Å; I63-E67 VanDerWaalsContact O-N 3.07Å
64I91.7Very high87.1Confident0 Ų045.6 Ų45.60%023%0.234CC..Hα-helixtrans-66.7-41.5-179.5-69.9170.8000111.3L45 L60 M61 E62 G68 I85 V88 L89 I92L45-I64 HydrophobicContact CD2-CG2 4.18Å; L60-I64 HydrophobicContact CD1-CD1 3.87Å; L60-I64 HydrophobicContact CD1-CG1 4.27Å; L60-I64 HydrophobicContact CG-CD1 3.93Å; L60-I64 WeakPolarHBondContact O-CG1 3.35Å; L60-I64 PolarHBondContact O-N 3.3Å; M61-I64 PolarHBondContact O-N 3.29Å; E62-I64 VanDerWaalsContact C-N 3.34Å; E62-I64 PolarHBondContact O-N 3.48Å; I64-G68 WeakPolarHBondContact O-CA 3.25Å; I64-G68 PolarHBondContact O-N 2.88Å; I64-I85 HydrophobicContact CG2-CG2 3.78Å; I64-V88 HydrophobicContact CD1-CG1 4.15Å; I64-L89 HydrophobicContact CB-CD2 3.93Å; I64-L89 HydrophobicContact CG2-CD2 3.67Å; I64-L89 HydrophobicContact CG2-CG 3.91Å; I64-I92 HydrophobicContact CD1-CD1 3.24Å
65R91.9Very high87Confident51 Ų5145.6 Ų45.619%0.19224%0.236CC..Hα-helixtrans-62.1-43.9174.6-75.8-176.9-168.7116.63.8111.7M61 E62 E67 G68 R69 L89 D352M61-R65 WeakPolarHBondContact O-CB 3.38Å; M61-R65 VanDerWaalsContact O-CG 3.31Å; M61-R65 WeakPolarHBondContact O-CG 3.35Å; M61-R65 PolarHBondContact O-N 2.87Å; E62-R65 PolarHBondContact O-N 3.11Å; R65-E67 PolarHBondContact O-N 3.32Å; R65-G68 PolarHBondContact O-N 2.87Å; R65-R69 WeakPolarHBondContact O-CG 3.39Å; R65-R69 PolarHBondContact O-N 3.42Å; R65-L89 HydrophobicContact CG-CD1 3.77Å; R65-L89 HydrophobicContact CG-CD2 4.21Å; R65-D352 IonicContact CZ-OD1 2.75Å; R65-D352 IonicContact NE-OD1 3.82Å; R65-D352 PolarHBondContact NE-OD1 3.31Å; R65-D352 VanDerWaalsContact NE-OD1 3.1Å; R65-D352 IonicContact NH2-OD1 3.74Å; R65-D352 PolarHBondContact NH2-OD1 3.32Å; R65-D352 IonicContact NH2-OD2 3.72Å
66K90.9Very high87.3Confident132 Ų13245.4 Ų45.457%0.57423%0.233SC*.Hα-helixtrans-59.6-49.6178.8-176.6-178.2176.7-175.40111.7E62 I63 G68 R70E62-K66 WeakPolarHBondContact O-CB 3.44Å; E62-K66 PolarHBondContact O-N 2.92Å; I63-K66 PolarHBondContact O-N 3.28Å; K66-G68 VanDerWaalsContact C-N 3.31Å; K66-R70 WeakPolarHBondContact O-CG 3.39Å; K66-R70 PolarHBondContact O-N 3.07Å
67E88.6Confident87.1Confident34 Ų3445.6 Ų45.616%0.15923%0.234CC..Hα-helixtrans-68-35176.3-66.9-52.3137.300111.7I63 R65 R69 R70 M71I63-E67 PolarHBondContact O-N 2.87Å; I63-E67 VanDerWaalsContact O-N 3.07Å; R65-E67 PolarHBondContact O-N 3.32Å; E67-R69 PolarHBondContact O-N 3.44Å; E67-R70 WeakPolarHBondContact O-CB 3.34Å; E67-R70 PolarHBondContact O-N 3.43Å; E67-R70 IonicContact OE1-NH1 3.24Å; E67-R70 PolarHBondContact OE1-NH1 3.44Å; E67-R70 IonicContact OE2-CZ 3.39Å; E67-R70 IonicContact OE2-NH1 3.57Å; E67-R70 PolarHBondContact OE2-NH1 2.9Å; E67-M71 HydrophobicContact CB-CE 3.87Å; E67-M71 WeakPolarHBondContact O-CG 3.24Å; E67-M71 PolarHBondContact O-N 2.92Å
68G87.9Confident87.1Confident0 Ų047.1 Ų47.10%024%0.241CC..Hα-helixtrans-64.4-39177.700000114.1I64 R65 K66 R70 M71 T72I64-G68 WeakPolarHBondContact O-CA 3.25Å; I64-G68 PolarHBondContact O-N 2.88Å; R65-G68 PolarHBondContact O-N 2.87Å; K66-G68 VanDerWaalsContact C-N 3.31Å; G68-R70 VanDerWaalsContact C-N 3.34Å; G68-M71 PolarHBondContact O-N 2.96Å; G68-T72 WeakPolarHBondContact O-CB 3.48Å; G68-T72 PolarHBondContact O-N 2.81Å; G68-T72 PolarHBondContact O-OG1 3.25Å
69R89.9Confident87.2Confident125 Ų12546.6 Ų46.647%0.47223%0.234SC..Hα-helixtrans-60.8-43171.7-77.1-169.1-73.5-1008.9111.8R65 E67 T72 A73 L355R65-R69 WeakPolarHBondContact O-CG 3.39Å; R65-R69 PolarHBondContact O-N 3.42Å; E67-R69 PolarHBondContact O-N 3.44Å; R69-T72 PolarHBondContact O-N 3.31Å; R69-A73 WeakPolarHBondContact O-CB 3.42Å; R69-A73 PolarHBondContact O-N 3.35Å; R69-L355 WeakPolarHBondContact CD-O 3.49Å; R69-L355 WeakPolarHBondContact CD-OXT 3.33Å; R69-L355 VanDerWaalsContact CG-C 3.41Å; R69-L355 WeakPolarHBondContact CG-O 3.4Å; R69-L355 WeakPolarHBondContact CG-OXT 3.45Å; R69-L355 PolarHBondContact NH1-OXT 3.31Å
70R89.8Confident87.4Confident92 Ų9243.7 Ų43.735%0.34722%0.219SC..Hα-helixtrans-63-44.4177.2-65.2175.267.2-157.32.8111.8E15 K66 E67 G68 A74E15-R70 IonicContact OE1-CZ 3.2Å; E15-R70 IonicContact OE1-NH2 3.93Å; E15-R70 PolarHBondContact OE1-NH2 2.97Å; K66-R70 WeakPolarHBondContact O-CG 3.39Å; K66-R70 PolarHBondContact O-N 3.07Å; E67-R70 WeakPolarHBondContact O-CB 3.34Å; E67-R70 PolarHBondContact O-N 3.43Å; E67-R70 IonicContact OE1-NH1 3.24Å; E67-R70 PolarHBondContact OE1-NH1 3.44Å; E67-R70 IonicContact OE2-CZ 3.39Å; E67-R70 IonicContact OE2-NH1 3.57Å; E67-R70 PolarHBondContact OE2-NH1 2.9Å; G68-R70 VanDerWaalsContact C-N 3.34Å; R70-A74 PolarHBondContact O-N 3.22Å; R70-A74 VanDerWaalsContact O-N 3.14Å
71M87Confident87.5Confident2 Ų243.8 Ų43.81%0.0122%0.219CC..Hα-helixtrans-66.8-42.9178.6-72.8-175-107.900112.6F17 L18 L44 L45 E67 G68 A74 V81 I85F17-M71 HydrophobicContact CD1-SD 4.31Å; F17-M71 HydrophobicContact CE1-SD 4.03Å; L18-M71 HydrophobicContact CD2-CB 4.26Å; L18-M71 HydrophobicContact CD2-CG 3.77Å; L44-M71 HydrophobicContact CD2-SD 4.28Å; L45-M71 HydrophobicContact CD2-CE 4.4Å; E67-M71 HydrophobicContact CB-CE 3.87Å; E67-M71 WeakPolarHBondContact O-CG 3.24Å; E67-M71 PolarHBondContact O-N 2.92Å; G68-M71 PolarHBondContact O-N 2.96Å; M71-A74 WeakPolarHBondContact O-CB 3.38Å; M71-A74 PolarHBondContact O-N 2.81Å; M71-V81 HydrophobicContact CB-CG1 3.8Å; M71-V81 HydrophobicContact CG-CG1 4.5Å; M71-V81 HydrophobicContact SD-CG1 4.13Å; M71-I85 HydrophobicContact CB-CD1 4.34Å; M71-I85 HydrophobicContact SD-CD1 4.49Å
72T86.4Confident87.5Confident31 Ų3143.8 Ų43.819%0.1922%0.22CC..Hα-helixtrans-69-39.4179.8-53.80000111.3G68 R69 A74 Q75 P76G68-T72 WeakPolarHBondContact O-CB 3.48Å; G68-T72 PolarHBondContact O-N 2.81Å; G68-T72 PolarHBondContact O-OG1 3.25Å; R69-T72 PolarHBondContact O-N 3.31Å; T72-A74 VanDerWaalsContact C-N 3.26Å; T72-A74 PolarHBondContact O-N 2.86Å; T72-Q75 CarbonylContact O-C 3.25Å; T72-Q75 VanDerWaalsContact O-C 3.25Å; T72-Q75 PolarHBondContact O-N 3.14Å; T72-P76 WeakPolarHBondContact O-CA 2.98Å
73A85.4Confident87.6Confident78 Ų7837.4 Ų37.465%0.64519%0.19SC*.Hα-helixtrans-67.7-25175.300000113.2R69 Q75R69-A73 WeakPolarHBondContact O-CB 3.42Å; R69-A73 PolarHBondContact O-N 3.35Å; A73-Q75 VanDerWaalsContact C-N 3.32Å
74A84.2Confident87.8Confident17 Ų1734.7 Ų34.714%0.1418%0.176CC..Hα-helixtrans-67.4-34.3177.700000112.5L18 K22 R70 M71 T72L18-A74 HydrophobicContact CD2-CB 3.92Å; K22-A74 HydrophobicContact CG-CB 4.11Å; R70-A74 PolarHBondContact O-N 3.22Å; R70-A74 VanDerWaalsContact O-N 3.14Å; M71-A74 WeakPolarHBondContact O-CB 3.38Å; M71-A74 PolarHBondContact O-N 2.81Å; T72-A74 VanDerWaalsContact C-N 3.26Å; T72-A74 PolarHBondContact O-N 2.86Å
75Q80.9Confident87.8Confident36 Ų3634.7 Ų34.717%0.16818%0.176CC..  trans-150.788.8174.8-177.261.5-6800110.7T72 A73 S77 E78T72-Q75 CarbonylContact O-C 3.25Å; T72-Q75 VanDerWaalsContact O-C 3.25Å; T72-Q75 PolarHBondContact O-N 3.14Å; A73-Q75 VanDerWaalsContact C-N 3.32Å; Q75-S77 PolarHBondContact O-N 3.24Å; Q75-S77 PolarHBondContact OE1-OG 2.91Å; Q75-E78 HydrophobicContact CB-CB 4.28Å; Q75-E78 HydrophobicContact CG-CB 3.7Å; Q75-E78 PolarHBondContact O-N 3.43Å
76P81.1Confident87.9Confident73 Ų7332.6 Ų32.647%0.47417%0.168SC..THydrogen-bonded Turntrans-61.4-27.7-179-24.534.4000113.3T72 E78T72-P76 WeakPolarHBondContact O-CA 2.98Å; P76-E78 VanDerWaalsContact C-N 3.26Å; P76-E78 PolarHBondContact O-N 3.48Å
77S79.8Confident88.1Confident15 Ų1526.9 Ų26.911%0.10514%0.143CC..THydrogen-bonded Turntrans-70.5-17.8177.163.10000113.4Q75 T79 R250Q75-S77 PolarHBondContact O-N 3.24Å; Q75-S77 PolarHBondContact OE1-OG 2.91Å; S77-T79 PolarHBondContact O-N 3.36Å; S77-R250 VanDerWaalsContact O-CZ 3.31Å; S77-R250 PolarHBondContact O-NH1 3.28Å; S77-R250 PolarHBondContact O-NH2 3.37Å
78E83.6Confident88.3Confident32 Ų3225.3 Ų25.315%0.1514%0.136CC..  trans-98.486.4179.7-171.359.1-147.400110.6T37 Q75 P76 T80 V81 Q241T37-E78 HydrophobicContact CG2-CG 4.36Å; Q75-E78 HydrophobicContact CB-CB 4.28Å; Q75-E78 HydrophobicContact CG-CB 3.7Å; Q75-E78 PolarHBondContact O-N 3.43Å; P76-E78 VanDerWaalsContact C-N 3.26Å; P76-E78 PolarHBondContact O-N 3.48Å; E78-T80 VanDerWaalsContact C-N 3.25Å; E78-T80 PolarHBondContact O-N 3.34Å; E78-T80 VanDerWaalsContact OE1-CB 3.25Å; E78-T80 WeakPolarHBondContact OE1-CB 3.36Å; E78-T80 PolarHBondContact OE1-OG1 3.25Å; E78-V81 HydrophobicContact CG-CG2 4.14Å; E78-Q241 PolarHBondContact OE2-NE2 3.06Å
79T87.3Confident88.6Confident7 Ų725.3 Ų25.34%0.04314%0.136CC..Hα-helixtrans-70.5-22.5-176.158.40000113S77 V81 G82 N83 T242S77-T79 PolarHBondContact O-N 3.36Å; T79-V81 PolarHBondContact O-N 3.06Å; T79-G82 PolarHBondContact O-N 3.03Å; T79-N83 WeakPolarHBondContact O-CB 3.05Å; T79-N83 PolarHBondContact O-N 3.44Å; T79-N83 PolarHBondContact O-ND2 2.98Å; T79-N83 PolarHBondContact O-OD1 3.21Å; T79-T242 HydrophobicContact CG2-CG2 4.02Å; T79-T242 WeakPolarHBondContact OG1-CB 3.48Å; T79-T242 WeakPolarHBondContact OG1-CG2 3.34Å; T79-T242 PolarHBondContact OG1-OG1 3.49Å
80T89.9Confident88.7Confident0 Ų020.4 Ų20.40%012%0.118CC..Hα-helixtrans-54.2-42.1-177.8-47.40000112.1A38 E78 N83 M84 F276A38-T80 HydrophobicContact CB-CG2 3.63Å; E78-T80 VanDerWaalsContact C-N 3.25Å; E78-T80 PolarHBondContact O-N 3.34Å; E78-T80 VanDerWaalsContact OE1-CB 3.25Å; E78-T80 WeakPolarHBondContact OE1-CB 3.36Å; E78-T80 PolarHBondContact OE1-OG1 3.25Å; T80-N83 PolarHBondContact O-N 3.21Å; T80-M84 WeakPolarHBondContact O-CG 3.44Å; T80-M84 PolarHBondContact O-N 3.02Å; T80-F276 HydrophobicContact CG2-CD2 3.82Å; T80-F276 HydrophobicContact CG2-CE2 4.29Å
81V90.6Very high88.8Confident2 Ų217.2 Ų17.21%0.01211%0.107CC..Hα-helixtrans-64.1-51.6-179.6-179.90000110.3L21 T37 T41 M71 E78 T79 N83 M84 I85L21-V81 HydrophobicContact CD1-CG2 4.37Å; L21-V81 HydrophobicContact CD2-CG2 4.1Å; T37-V81 HydrophobicContact CG2-CG2 3.61Å; T41-V81 HydrophobicContact CG2-CB 4.49Å; T41-V81 HydrophobicContact CG2-CG1 3.81Å; M71-V81 HydrophobicContact CB-CG1 3.8Å; M71-V81 HydrophobicContact CG-CG1 4.5Å; M71-V81 HydrophobicContact SD-CG1 4.13Å; E78-V81 HydrophobicContact CG-CG2 4.14Å; T79-V81 PolarHBondContact O-N 3.06Å; V81-N83 VanDerWaalsContact C-N 3.31Å; V81-N83 PolarHBondContact O-N 3.32Å; V81-M84 PolarHBondContact O-N 3.48Å; V81-M84 VanDerWaalsContact O-N 3.16Å; V81-I85 HydrophobicContact CG1-CD1 3.98Å; V81-I85 WeakPolarHBondContact O-CD1 3.3Å; V81-I85 WeakPolarHBondContact O-CG1 3.29Å; V81-I85 PolarHBondContact O-N 3.34Å
82G90.6Very high89Confident2 Ų217.1 Ų17.12%0.02111%0.107CC..Hα-helixtrans-59.1-41.4176.700000112.4T79 M84 I85 R86T79-G82 PolarHBondContact O-N 3.03Å; G82-M84 VanDerWaalsContact C-N 3.34Å; G82-M84 PolarHBondContact O-N 3.3Å; G82-I85 PolarHBondContact O-N 2.96Å; G82-R86 WeakPolarHBondContact O-CG 3.47Å; G82-R86 PolarHBondContact O-N 3.45Å
83N91.9Very high89.2Confident0 Ų016.3 Ų16.30%010%0.1CC..Hα-helixtrans-61.7-41.5176.5-64.8-9.2000111.6T79 T80 V81 R86 R87 F276 L278 S279 Y348T79-N83 WeakPolarHBondContact O-CB 3.05Å; T79-N83 PolarHBondContact O-N 3.44Å; T79-N83 PolarHBondContact O-ND2 2.98Å; T79-N83 PolarHBondContact O-OD1 3.21Å; T80-N83 PolarHBondContact O-N 3.21Å; V81-N83 VanDerWaalsContact C-N 3.31Å; V81-N83 PolarHBondContact O-N 3.32Å; N83-R86 PolarHBondContact O-N 3.32Å; N83-R86 PolarHBondContact OD1-NH1 3.1Å; N83-R87 PolarHBondContact O-N 3.17Å; N83-F276 PolarHBondContact ND2-O 3.19Å; N83-L278 PolarHBondContact ND2-O 3.34Å; N83-S279 WeakPolarHBondContact OD1-CA 3.31Å; N83-S279 WeakPolarHBondContact OD1-CB 3.4Å; N83-S279 PolarHBondContact OD1-OG 3.5Å; N83-Y348 WeakPolarHBondContact O-CE1 3.4Å
84M93.6Very high89.4Confident0 Ų015.9 Ų15.90%09%0.085CC..Hα-helixtrans-67.5-37.7177.3-66.4-37.5-4700112.8A38 T41 T80 V81 G82 R87 V88 L144 L148 F276A38-M84 HydrophobicContact CB-CG 3.96Å; A38-M84 HydrophobicContact CB-SD 4.19Å; T41-M84 HydrophobicContact CG2-CB 4.01Å; T80-M84 WeakPolarHBondContact O-CG 3.44Å; T80-M84 PolarHBondContact O-N 3.02Å; V81-M84 PolarHBondContact O-N 3.48Å; V81-M84 VanDerWaalsContact O-N 3.16Å; G82-M84 VanDerWaalsContact C-N 3.34Å; G82-M84 PolarHBondContact O-N 3.3Å; M84-R87 HydrophobicContact CE-CB 4.12Å; M84-R87 HydrophobicContact CE-CG 4.47Å; M84-R87 PolarHBondContact O-N 3.45Å; M84-V88 WeakPolarHBondContact O-CG2 2.91Å; M84-V88 PolarHBondContact O-N 2.95Å; M84-L144 HydrophobicContact CE-CD1 4.13Å; M84-L144 HydrophobicContact CE-CD2 3.66Å; M84-L144 HydrophobicContact CE-CG 4.18Å; M84-L148 HydrophobicContact CE-CD1 4.17Å; M84-L148 HydrophobicContact SD-CD2 4.48Å; M84-F276 HydrophobicContact SD-CB 3.63Å
85I93.6Very high89.6Confident0 Ų016 Ų160%08%0.083CC..Hα-helixtrans-61.1-47.4175.3-65153.7000110.5T41 L45 I64 M71 V81 G82 R87 V88 L89 L355T41-I85 HydrophobicContact CG2-CG1 4.41Å; L45-I85 HydrophobicContact CD1-CB 4.47Å; L45-I85 HydrophobicContact CD1-CG1 3.94Å; L45-I85 HydrophobicContact CD2-CG1 4.4Å; I64-I85 HydrophobicContact CG2-CG2 3.78Å; M71-I85 HydrophobicContact CB-CD1 4.34Å; M71-I85 HydrophobicContact SD-CD1 4.49Å; V81-I85 HydrophobicContact CG1-CD1 3.98Å; V81-I85 WeakPolarHBondContact O-CD1 3.3Å; V81-I85 WeakPolarHBondContact O-CG1 3.29Å; V81-I85 PolarHBondContact O-N 3.34Å; G82-I85 PolarHBondContact O-N 2.96Å; I85-R87 VanDerWaalsContact C-N 3.34Å; I85-R87 PolarHBondContact O-N 3.42Å; I85-V88 PolarHBondContact O-N 3.27Å; I85-L89 HydrophobicContact CG2-CD1 4.22Å; I85-L89 WeakPolarHBondContact O-CG 3.48Å; I85-L89 PolarHBondContact O-N 2.92Å; I85-L355 HydrophobicContact CB-CD2 4.43Å; I85-L355 HydrophobicContact CG2-CD2 3.65Å
86R93.8Very high89.8Confident7 Ų714.3 Ų14.33%0.0268%0.075CC..Hα-helixtrans-62.6-39.2178-64.9177.5-174.9103.3-4.6112.7G82 N83 L89 K90 Y348 D352 H353 L355G82-R86 WeakPolarHBondContact O-CG 3.47Å; G82-R86 PolarHBondContact O-N 3.45Å; N83-R86 PolarHBondContact O-N 3.32Å; N83-R86 PolarHBondContact OD1-NH1 3.1Å; R86-L89 PolarHBondContact O-N 3.41Å; R86-K90 PolarHBondContact O-N 2.87Å; R86-Y348 HydrophobicContact CB-CD1 3.49Å; R86-Y348 VanDerWaalsContact CB-CD1 3.49Å; R86-Y348 HydrophobicContact CB-CE1 3.75Å; R86-D352 WeakPolarHBondContact CD-O 3.24Å; R86-D352 VanDerWaalsContact CG-O 3.31Å; R86-D352 WeakPolarHBondContact CG-O 3.23Å; R86-D352 PolarHBondContact NE-O 3.44Å; R86-H353 PolarHBondContact NE-O 3.29Å; R86-H353 PolarHBondContact NH2-O 3.48Å; R86-L355 HydrophobicContact CG-CD1 3.99Å; R86-L355 HydrophobicContact CG-CD2 4.27Å; R86-L355 HydrophobicContact CG-CG 4.07Å
87R93.5Very high90Very high12 Ų1211.9 Ų11.95%0.0456%0.061CC..Hα-helixtrans-59.6-46.1173.2-89-174163-147.9-3.9111.3N83 M84 I85 L89 K90 I91 E147 Y348N83-R87 PolarHBondContact O-N 3.17Å; M84-R87 HydrophobicContact CE-CB 4.12Å; M84-R87 HydrophobicContact CE-CG 4.47Å; M84-R87 PolarHBondContact O-N 3.45Å; I85-R87 VanDerWaalsContact C-N 3.34Å; I85-R87 PolarHBondContact O-N 3.42Å; R87-L89 PolarHBondContact O-N 3.13Å; R87-K90 WeakPolarHBondContact O-CB 3.43Å; R87-K90 PolarHBondContact O-N 2.84Å; R87-I91 WeakPolarHBondContact O-CG1 3.48Å; R87-I91 PolarHBondContact O-N 2.75Å; R87-E147 IonicContact NH1-OE1 3.56Å; R87-E147 IonicContact NH1-OE2 2.55Å; R87-Y348 HydrophobicContact CG-CD1 4.46Å; R87-Y348 HydrophobicContact CG-CE1 3.72Å
88V93.9Very high90.2Very high0 Ų016.7 Ų16.70%08%0.077CC..Hα-helixtrans-65.5-38.8178.3173.50000111.8L45 I64 M84 I85 K90 I91 I92 I141 L144L45-V88 HydrophobicContact CB-CG2 4.45Å; L45-V88 HydrophobicContact CD1-CB 4.09Å; L45-V88 HydrophobicContact CD1-CG2 3.75Å; I64-V88 HydrophobicContact CD1-CG1 4.15Å; M84-V88 WeakPolarHBondContact O-CG2 2.91Å; M84-V88 PolarHBondContact O-N 2.95Å; I85-V88 PolarHBondContact O-N 3.27Å; V88-K90 VanDerWaalsContact C-N 3.32Å; V88-K90 PolarHBondContact O-N 2.63Å; V88-I91 PolarHBondContact O-N 2.94Å; V88-I92 HydrophobicContact CG1-CD1 4.06Å; V88-I92 WeakPolarHBondContact O-CD1 3.4Å; V88-I92 VanDerWaalsContact O-CG1 3.32Å; V88-I92 WeakPolarHBondContact O-CG1 3.45Å; V88-I92 PolarHBondContact O-N 2.92Å; V88-I141 HydrophobicContact CG1-CD1 3.94Å; V88-I141 HydrophobicContact CG1-CG1 4.28Å; V88-I141 HydrophobicContact CG2-CG1 4.42Å; V88-L144 HydrophobicContact CG2-CD2 4.37Å
89L93.3Very high90.1Very high0 Ų016.9 Ų16.90%08%0.081CC..Hα-helixtrans-60.2-42.4173.3-72171.4000111.8M61 I64 R65 I85 R86 R87 I92 R93 D352 L355M61-L89 HydrophobicContact CB-CD2 3.96Å; M61-L89 HydrophobicContact CG-CD2 3.97Å; I64-L89 HydrophobicContact CB-CD2 3.93Å; I64-L89 HydrophobicContact CG2-CD2 3.67Å; I64-L89 HydrophobicContact CG2-CG 3.91Å; R65-L89 HydrophobicContact CG-CD1 3.77Å; R65-L89 HydrophobicContact CG-CD2 4.21Å; I85-L89 HydrophobicContact CG2-CD1 4.22Å; I85-L89 WeakPolarHBondContact O-CG 3.48Å; I85-L89 PolarHBondContact O-N 2.92Å; R86-L89 PolarHBondContact O-N 3.41Å; R87-L89 PolarHBondContact O-N 3.13Å; L89-I92 PolarHBondContact O-N 3.03Å; L89-R93 PolarHBondContact O-N 2.84Å; L89-R93 VanDerWaalsContact O-N 3.13Å; L89-D352 HydrophobicContact CD1-CB 4.36Å; L89-L355 HydrophobicContact CD1-CD2 4.08Å
90K92.6Very high89.6Confident23 Ų2321.1 Ų21.110%0.110%0.096CC..Hα-helixtrans-62.4-46.5175-174.8173.3-171.6159.90112.2R86 R87 V88 I92 R93 E94 S345 E346 L347 Y348R86-K90 PolarHBondContact O-N 2.87Å; R87-K90 WeakPolarHBondContact O-CB 3.43Å; R87-K90 PolarHBondContact O-N 2.84Å; V88-K90 VanDerWaalsContact C-N 3.32Å; V88-K90 PolarHBondContact O-N 2.63Å; K90-I92 PolarHBondContact O-N 3.47Å; K90-R93 WeakPolarHBondContact O-CB 3.17Å; K90-R93 PolarHBondContact O-N 2.75Å; K90-E94 WeakPolarHBondContact CE-OE1 3.13Å; K90-E94 HydrophobicContact CG-CG 4.32Å; K90-E94 PolarHBondContact O-N 3.47Å; K90-S345 PolarHBondContact NZ-O 3.3Å; K90-E346 WeakPolarHBondContact CE-O 3.44Å; K90-E346 PolarHBondContact NZ-O 2.55Å; K90-L347 WeakPolarHBondContact CD-O 3.44Å; K90-Y348 PolarHBondContact NZ-O 3.35Å; K90-Y348 VanDerWaalsContact NZ-O 3.08Å
91I92.4Very high88.6Confident25 Ų2524.3 Ų24.313%0.12813%0.129CC..Hα-helixtrans-55.3-42176.1-69.4169.2000110.7R87 V88 R93 E94 E95 A140 L144R87-I91 WeakPolarHBondContact O-CG1 3.48Å; R87-I91 PolarHBondContact O-N 2.75Å; V88-I91 PolarHBondContact O-N 2.94Å; I91-R93 PolarHBondContact O-N 3Å; I91-E94 PolarHBondContact O-N 3.15Å; I91-E95 HydrophobicContact CG2-CG 4.25Å; I91-E95 WeakPolarHBondContact O-CB 3.43Å; I91-E95 WeakPolarHBondContact O-CG 3.5Å; I91-E95 PolarHBondContact O-N 3.03Å; I91-A140 HydrophobicContact CG2-CB 3.45Å; I91-A140 VanDerWaalsContact CG2-CB 3.45Å; I91-L144 HydrophobicContact CD1-CB 4.42Å; I91-L144 HydrophobicContact CD1-CD2 3.85Å
92I91.1Very high87.2Confident0 Ų026.4 Ų26.40%014%0.144CC..Hα-helixtrans-63.2-41.6177.7-68.1160.9000111.6A57 L60 M61 I64 V88 L89 K90 Y96 V137A57-I92 HydrophobicContact CB-CG2 4.45Å; L60-I92 HydrophobicContact CD2-CD1 3.72Å; L60-I92 HydrophobicContact CD2-CG1 4.06Å; L60-I92 HydrophobicContact CD2-CG2 4.25Å; L60-I92 HydrophobicContact CG-CD1 3.97Å; M61-I92 HydrophobicContact CG-CG2 3.9Å; I64-I92 HydrophobicContact CD1-CD1 3.24Å; V88-I92 HydrophobicContact CG1-CD1 4.06Å; V88-I92 WeakPolarHBondContact O-CD1 3.4Å; V88-I92 VanDerWaalsContact O-CG1 3.32Å; V88-I92 WeakPolarHBondContact O-CG1 3.45Å; V88-I92 PolarHBondContact O-N 2.92Å; L89-I92 PolarHBondContact O-N 3.03Å; K90-I92 PolarHBondContact O-N 3.47Å; I92-Y96 VanDerWaalsContact O-CB 3.24Å; I92-Y96 WeakPolarHBondContact O-CB 3.4Å; I92-Y96 PolarHBondContact O-N 2.85Å; I92-V137 HydrophobicContact CG1-CG1 3.74Å; I92-V137 HydrophobicContact CG1-CG2 4.2Å
93R89.9Confident85.1Confident13 Ų1330.7 Ų30.75%0.04917%0.174CC..Hα-helixtrans-65-45.1175.9-69.7-177.6-168.5-110.38.5111.8M61 L89 K90 I91 Y96 A97 F126 E351 D352M61-R93 HydrophobicContact SD-CG 3.78Å; L89-R93 PolarHBondContact O-N 2.84Å; L89-R93 VanDerWaalsContact O-N 3.13Å; K90-R93 WeakPolarHBondContact O-CB 3.17Å; K90-R93 PolarHBondContact O-N 2.75Å; I91-R93 PolarHBondContact O-N 3Å; R93-Y96 WeakPolarHBondContact O-CB 3.49Å; R93-Y96 PolarHBondContact O-N 3.08Å; R93-A97 WeakPolarHBondContact O-CB 3.44Å; R93-A97 PolarHBondContact O-N 3.3Å; R93-F126 HydrophobicContact CG-CE1 4.31Å; R93-F126 HydrophobicContact CG-CZ 4.35Å; R93-E351 IonicContact CZ-OE2 2.64Å; R93-E351 IonicContact NH1-OE2 2.86Å; R93-E351 PolarHBondContact NH1-OE2 3.14Å; R93-E351 IonicContact NH2-OE2 3.97Å; R93-E351 PolarHBondContact NH2-OE2 2.94Å; R93-D352 IonicContact CZ-OD2 3.53Å; R93-D352 IonicContact NE-OD2 3.71Å; R93-D352 PolarHBondContact NE-OD2 2.94Å; R93-D352 IonicContact NH2-OD1 2.73Å; R93-D352 IonicContact NH2-OD2 3.15Å; R93-D352 PolarHBondContact NH2-OD2 3.04Å
94E88.8Confident83.1Confident70 Ų7036.8 Ų36.833%0.32720%0.202SC..Hα-helixtrans-63.5-47.7179.8-72.2177.7178.600111.8K90 I91 Y96 A97 R98K90-E94 WeakPolarHBondContact CE-OE1 3.13Å; K90-E94 HydrophobicContact CG-CG 4.32Å; K90-E94 PolarHBondContact O-N 3.47Å; I91-E94 PolarHBondContact O-N 3.15Å; E94-Y96 PolarHBondContact O-N 3.35Å; E94-A97 PolarHBondContact O-N 3.25Å; E94-R98 WeakPolarHBondContact O-CG 3.38Å; E94-R98 PolarHBondContact O-N 2.76Å; E94-R98 IonicContact OE2-NH2 3.82Å
95E88.9Confident80.9Confident19 Ų1944.3 Ų44.39%0.08924%0.237CC..Hα-helixtrans-63.6-33.2177-70.1-56.6149.200112.2I91 R98 S99 L133 V137 A140I91-E95 HydrophobicContact CG2-CG 4.25Å; I91-E95 WeakPolarHBondContact O-CB 3.43Å; I91-E95 WeakPolarHBondContact O-CG 3.5Å; I91-E95 PolarHBondContact O-N 3.03Å; E95-R98 IonicContact OE1-CZ 3.79Å; E95-R98 IonicContact OE1-NH1 3.03Å; E95-R98 PolarHBondContact OE1-NH1 2.72Å; E95-R98 IonicContact OE1-NH2 3.82Å; E95-R98 IonicContact OE2-NH1 3.88Å; E95-S99 WeakPolarHBondContact O-CB 3.44Å; E95-S99 PolarHBondContact O-N 2.73Å; E95-S99 PolarHBondContact O-OG 3.08Å; E95-L133 HydrophobicContact CB-CD1 3.9Å; E95-V137 HydrophobicContact CB-CG2 3.98Å; E95-V137 HydrophobicContact CG-CG2 4.26Å; E95-A140 HydrophobicContact CG-CB 4.42Å
96Y86.6Confident78.6Confident1 Ų146.6 Ų46.60%0.00426%0.257CS..Hα-helixtrans-67.2-46.8172.9-175.4-101.5000112A57 I92 R93 E94 S99 R100 N125 F126 Q128 F130 L133A57-Y96 HydrophobicContact CB-CD2 3.54Å; A57-Y96 HydrophobicContact CB-CE2 3.97Å; A57-Y96 HydrophobicContact CB-CG 4.02Å; I92-Y96 VanDerWaalsContact O-CB 3.24Å; I92-Y96 WeakPolarHBondContact O-CB 3.4Å; I92-Y96 PolarHBondContact O-N 2.85Å; R93-Y96 WeakPolarHBondContact O-CB 3.49Å; R93-Y96 PolarHBondContact O-N 3.08Å; E94-Y96 PolarHBondContact O-N 3.35Å; Y96-S99 WeakPolarHBondContact O-CB 3.45Å; Y96-S99 PolarHBondContact O-N 3.3Å; Y96-R100 PolarHBondContact O-N 3.15Å; Y96-N125 PolarHBondContact OH-O 2.93Å; Y96-N125 VanDerWaalsContact OH-O 3.12Å; Y96-F126 AromaticContact CD1-CD1 3.62Å; Y96-F126 HydrophobicContact CD1-CD1 3.62Å; Y96-F126 AromaticContact CD1-CE1 3.97Å; Y96-F126 HydrophobicContact CD1-CE1 3.97Å; Y96-F126 AromaticContact CE1-CD1 3.72Å; Y96-F126 HydrophobicContact CE1-CD1 3.72Å; Y96-F126 HydrophobicContact CE1-CE1 4.36Å; Y96-F126 HydrophobicContact CG-CD1 4.22Å; Y96-F126 WeakPolarHBondContact OH-CA 3.3Å; Y96-Q128 WeakPolarHBondContact CE2-O 3.41Å; Y96-Q128 WeakPolarHBondContact OH-CB 3.08Å; Y96-Q128 PolarHBondContact OH-N 3.39Å; Y96-F130 HydrophobicContact CD2-CD2 4.07Å; Y96-F130 HydrophobicContact CD2-CE2 4.24Å; Y96-F130 AromaticContact CE2-CD2 3.7Å; Y96-F130 HydrophobicContact CE2-CD2 3.7Å; Y96-F130 AromaticContact CE2-CE2 3.64Å; Y96-F130 HydrophobicContact CE2-CE2 3.64Å; Y96-L133 HydrophobicContact CD2-CD2 3.87Å
97A84.2Confident76.5Confident21 Ų2151 Ų5117%0.17428%0.281CS..Hα-helixtrans-62.4-43.6178.300000111.9R93 E94 S99 R100 G101 S102R93-A97 WeakPolarHBondContact O-CB 3.44Å; R93-A97 PolarHBondContact O-N 3.3Å; E94-A97 PolarHBondContact O-N 3.25Å; A97-S99 VanDerWaalsContact C-N 3.33Å; A97-S99 PolarHBondContact O-N 2.87Å; A97-R100 PolarHBondContact O-N 3.48Å; A97-R100 VanDerWaalsContact O-N 3.15Å; A97-G101 PolarHBondContact O-N 3.27Å; A97-S102 PolarHBondContact O-N 2.75Å; A97-S102 VanDerWaalsContact O-N 3.07Å
98R84.1Confident74.3Confident117 Ų11757.2 Ų57.244%0.44231%0.31SS..Hα-helixtrans-60.7-41.6173.4-70.2-171-149.4140.316.9111.6E94 E95 R100 G101 E104E94-R98 WeakPolarHBondContact O-CG 3.38Å; E94-R98 PolarHBondContact O-N 2.76Å; E94-R98 IonicContact OE2-NH2 3.82Å; E95-R98 IonicContact OE1-CZ 3.79Å; E95-R98 IonicContact OE1-NH1 3.03Å; E95-R98 PolarHBondContact OE1-NH1 2.72Å; E95-R98 IonicContact OE1-NH2 3.82Å; E95-R98 IonicContact OE2-NH1 3.88Å; R98-R100 VanDerWaalsContact C-N 3.27Å; R98-R100 PolarHBondContact O-N 3.17Å; R98-G101 PolarHBondContact O-N 3.19Å; R98-G101 VanDerWaalsContact O-N 3.09Å; R98-E104 IonicContact CZ-OE1 2.6Å; R98-E104 IonicContact NE-OE1 3.28Å; R98-E104 PolarHBondContact NE-OE1 2.92Å; R98-E104 IonicContact NH2-OE1 2.8Å
99S81.3Confident72.2Confident35 Ų3564.8 Ų64.825%0.24535%0.345CS..Hα-helixtrans-65.3-29.5176.3-61.40000113.1E95 Y96 A97 G101E95-S99 WeakPolarHBondContact O-CB 3.44Å; E95-S99 PolarHBondContact O-N 2.73Å; E95-S99 PolarHBondContact O-OG 3.08Å; Y96-S99 WeakPolarHBondContact O-CB 3.45Å; Y96-S99 PolarHBondContact O-N 3.3Å; A97-S99 VanDerWaalsContact C-N 3.33Å; A97-S99 PolarHBondContact O-N 2.87Å; S99-G101 VanDerWaalsContact C-N 3.29Å
100R77.4Confident70.3Confident96 Ų9667 Ų6736%0.36236%0.356SS..Hα-helixtrans-78.1-11.7174.7-157.9178.378.7-164.6-2.5113Y96 A97 R98 S102 E124 F130Y96-R100 PolarHBondContact O-N 3.15Å; A97-R100 PolarHBondContact O-N 3.48Å; A97-R100 VanDerWaalsContact O-N 3.15Å; R98-R100 VanDerWaalsContact C-N 3.27Å; R98-R100 PolarHBondContact O-N 3.17Å; R100-S102 PolarHBondContact NH2-OG 3.1Å; R100-E124 IonicContact NH1-OE1 3.65Å; R100-F130 HydrophobicContact CB-CZ 4.45Å
101G69.3Low68.8Low67 Ų6771.2 Ų71.269%0.69139%0.388SS*.THydrogen-bonded Turntrans76.519.7-173.900000113.9A97 R98 S99A97-G101 PolarHBondContact O-N 3.27Å; R98-G101 PolarHBondContact O-N 3.19Å; R98-G101 VanDerWaalsContact O-N 3.09Å; S99-G101 VanDerWaalsContact C-N 3.29Å
102S59.8Low67.3Low46 Ų4676.9 Ų76.932%0.32242%0.418SS..  trans-80.2121.2173.7-147.30000108.5A97 R100A97-S102 PolarHBondContact O-N 2.75Å; A97-S102 VanDerWaalsContact O-N 3.07Å; R100-S102 PolarHBondContact NH2-OG 3.1Å
103S47.7Very low65.8Low93 Ų9382.4 Ų82.465%0.6544%0.443SS*.  trans-74.8140.1179.6-155.80000110.9E105 A106S103-E105 PolarHBondContact O-N 3.27Å; S103-E105 VanDerWaalsContact O-N 3.07Å; S103-A106 PolarHBondContact O-N 3.14Å
104E50.3Low64.3Low128 Ų12887.1 Ų87.160%0.59846%0.464SS*.THydrogen-bonded Turntrans-61.2-15.5-172.4-65178.5163.100114.3R98 A106R98-E104 IonicContact CZ-OE1 2.6Å; R98-E104 IonicContact NE-OE1 3.28Å; R98-E104 PolarHBondContact NE-OE1 2.92Å; R98-E104 IonicContact NH2-OE1 2.8Å; E104-A106 VanDerWaalsContact C-N 3.33Å; E104-A106 PolarHBondContact O-N 3.42Å
105E45.8Very low62.9Low157 Ų15790 Ų9073%0.73448%0.482SS*.THydrogen-bonded Turntrans-75-16.6-176.8-66.4-170.6157.300114.5S103S103-E105 PolarHBondContact O-N 3.27Å; S103-E105 VanDerWaalsContact O-N 3.07Å
106A45.8Very low61.7Low49 Ų4996.1 Ų96.141%0.40551%0.514SS..THydrogen-bonded Turntrans-72.4-37.1-176.600000113.1S103 E104 Q108 E110S103-A106 PolarHBondContact O-N 3.14Å; E104-A106 VanDerWaalsContact C-N 3.33Å; E104-A106 PolarHBondContact O-N 3.42Å; A106-Q108 PolarHBondContact O-N 3.29Å; A106-E110 VanDerWaalsContact O-CD 3.24Å; A106-E110 WeakPolarHBondContact O-CG 3.31Å
107D49.3Very low60.3Low99 Ų9999.7 Ų99.753%0.52954%0.536SS..G310 helixtrans-76-24.6-171-89.4-7.4000114.1
108Q48.5Very low58.7Low142 Ų142103.9 Ų103.966%0.66456%0.564SS**G310 helixtrans-82.6-19.6-177.1-68.8-173.30.800113.8A106A106-Q108 PolarHBondContact O-N 3.29Å
109Q49Very low56.7Low159 Ų159101.9 Ų101.974%0.74358%0.58SS**G310 helixtrans-95.77-177-72.6-173.5-25.800114H113Q109-H113 WeakPolarHBondContact O-CB 3.36Å
110E54.2Low54.7Low48 Ų48103 Ų10322%0.22460%0.597CS.*Hα-helixtrans-93.8-21.3-155.2-98178.6152.500116.6A106 L112 H113 K114A106-E110 VanDerWaalsContact O-CD 3.24Å; A106-E110 WeakPolarHBondContact O-CG 3.31Å; E110-L112 PolarHBondContact O-N 2.89Å; E110-H113 PolarHBondContact O-N 3.3Å; E110-K114 HydrophobicContact CB-CD 3.75Å; E110-K114 HydrophobicContact CB-CG 3.84Å; E110-K114 VanDerWaalsContact CD-NZ 3.27Å; E110-K114 HydrophobicContact CG-CD 4.05Å; E110-K114 HydrophobicContact CG-CG 3.87Å; E110-K114 WeakPolarHBondContact O-CA 3.4Å; E110-K114 WeakPolarHBondContact O-CB 3.28Å; E110-K114 WeakPolarHBondContact O-CG 3.2Å; E110-K114 PolarHBondContact O-N 3.5Å; E110-K114 VanDerWaalsContact OE1-CE 3.31Å; E110-K114 WeakPolarHBondContact OE1-CE 3.42Å; E110-K114 IonicContact OE1-NZ 3.5Å; E110-K114 WeakPolarHBondContact OE2-CE 3.27Å; E110-K114 IonicContact OE2-NZ 3.68Å; E110-K114 PolarHBondContact OE2-NZ 2.87Å
111S59.9Low53Low111 Ų111106.5 Ų106.578%0.77662%0.622SS**Hα-helixtrans-65.2-40.4-166.4-49.80000114.9
112L61.1Low51.8Low143 Ų143108 Ų10875%0.74962%0.621SS**Hα-helixtrans-91.2-30.4174.9-78.3169.7000112.5E110 L115E110-L112 PolarHBondContact O-N 2.89Å; L112-L115 WeakPolarHBondContact O-CB 3.47Å; L112-L115 PolarHBondContact O-N 3.09Å
113H60.4Low51.1Low116 Ų116113.3 Ų113.354%0.53764%0.64SS.*Hα-helixtrans-71.1-38.3179.6-164.8-97000111.6Q109 E110 L115 L116 T117Q109-H113 WeakPolarHBondContact O-CB 3.36Å; E110-H113 PolarHBondContact O-N 3.3Å; H113-L115 PolarHBondContact O-N 3.5Å; H113-L116 WeakPolarHBondContact O-CB 3.25Å; H113-L116 PolarHBondContact O-N 3.47Å; H113-T117 PolarHBondContact O-N 3.38Å; H113-T117 PolarHBondContact O-OG1 3.32Å
114K58Low51.4Low112 Ų112111 Ų11149%0.48762%0.619SS.*Hα-helixtrans-58.1-30.4173.6-81.6179162.7153.70113.4E110 L116 T117E110-K114 HydrophobicContact CB-CD 3.75Å; E110-K114 HydrophobicContact CB-CG 3.84Å; E110-K114 VanDerWaalsContact CD-NZ 3.27Å; E110-K114 HydrophobicContact CG-CD 4.05Å; E110-K114 HydrophobicContact CG-CG 3.87Å; E110-K114 WeakPolarHBondContact O-CA 3.4Å; E110-K114 WeakPolarHBondContact O-CB 3.28Å; E110-K114 WeakPolarHBondContact O-CG 3.2Å; E110-K114 PolarHBondContact O-N 3.5Å; E110-K114 VanDerWaalsContact OE1-CE 3.31Å; E110-K114 WeakPolarHBondContact OE1-CE 3.42Å; E110-K114 IonicContact OE1-NZ 3.5Å; E110-K114 WeakPolarHBondContact OE2-CE 3.27Å; E110-K114 IonicContact OE2-NZ 3.68Å; E110-K114 PolarHBondContact OE2-NZ 2.87Å; K114-L116 VanDerWaalsContact C-N 3.29Å; K114-T117 WeakPolarHBondContact CA-OG1 3.15Å
115L60.3Low51.6Low132 Ų132109.7 Ų109.769%0.69162%0.616SS**Hα-helixtrans-68.9-29.8176.5-115.2153000111.8L112 H113L112-L115 WeakPolarHBondContact O-CB 3.47Å; L112-L115 PolarHBondContact O-N 3.09Å; H113-L115 PolarHBondContact O-N 3.5Å
116L62.5Low52.6Low147 Ų147103.8 Ų103.877%0.7759%0.588SS**Hα-helixtrans-89.7-28.5177.9-68167.7000112.6H113 K114 S118H113-L116 WeakPolarHBondContact O-CB 3.25Å; H113-L116 PolarHBondContact O-N 3.47Å; K114-L116 VanDerWaalsContact C-N 3.29Å; L116-S118 VanDerWaalsContact C-N 3.33Å; L116-S118 PolarHBondContact O-N 3.3Å
117T58.6Low53.5Low76 Ų76111.1 Ų111.147%0.46661%0.606SS.*  trans-92.330.417740.80000113.5H113 K114 G119H113-T117 PolarHBondContact O-N 3.38Å; H113-T117 PolarHBondContact O-OG1 3.32Å; K114-T117 WeakPolarHBondContact CA-OG1 3.15Å; T117-G119 VanDerWaalsContact O-CA 3.3Å; T117-G119 WeakPolarHBondContact O-CA 3.18Å; T117-G119 PolarHBondContact O-N 3.39Å
118S49.3Very low54.4Low109 Ų109111.4 Ų111.476%0.76260%0.604SS**  trans-45.895.6176.863.50000111.9L116L116-S118 VanDerWaalsContact C-N 3.33Å; L116-S118 PolarHBondContact O-N 3.3Å
119G41.8Very low55.4Low75 Ų75110.6 Ų110.677%0.77360%0.6SS**SBendtrans171.651.4-158.900000109.8T117T117-G119 VanDerWaalsContact O-CA 3.3Å; T117-G119 WeakPolarHBondContact O-CA 3.18Å; T117-G119 PolarHBondContact O-N 3.39Å
120G40Very low56.4Low58 Ų58105.5 Ų105.560%0.59858%0.575SS**  trans121.196.4176.100000111.7C122G120-C122 PolarHBondContact O-N 3.34Å
121L41.1Very low57.1Low170 Ų170107.3 Ų107.389%0.8960%0.598SS**  trans-53.5102.5139.8-70.1161000104.6E123L121-E123 PolarHBondContact O-N 3.47Å
122C43.8Very low58.2Low99 Ų99105.4 Ų105.467%0.66958%0.583SS**  trans-65.976.4158.1-77.80000105.4G120 E124G120-C122 PolarHBondContact O-N 3.34Å; C122-E124 PolarHBondContact O-N 2.99Å
123E45.5Very low59.3Low157 Ų15798.8 Ų98.873%0.73455%0.549SS*.  trans-54.193.9141.6-79.9-173.8160.400103.5L121 N125L121-E123 PolarHBondContact O-N 3.47Å; E123-N125 VanDerWaalsContact C-N 3.34Å; E123-N125 PolarHBondContact O-N 3.2Å
124E54.5Low60.5Low44 Ų4496.6 Ų96.621%0.20654%0.537CS..  trans-54.7108.2176.6-65.9-157112.900105.7R100 C122 F126R100-E124 IonicContact NH1-OE1 3.65Å; C122-E124 PolarHBondContact O-N 2.99Å; E124-F126 HydrophobicContact CB-CD1 4.41Å; E124-F126 HydrophobicContact CB-CD2 4.13Å; E124-F126 HydrophobicContact CB-CE1 3.94Å; E124-F126 HydrophobicContact CB-CE2 3.64Å; E124-F126 HydrophobicContact CB-CG 4.49Å; E124-F126 HydrophobicContact CB-CZ 3.53Å; E124-F126 HydrophobicContact CG-CZ 4.21Å; E124-F126 WeakPolarHBondContact O-CD2 3.47Å; E124-F126 WeakPolarHBondContact O-CE2 3.29Å; E124-F126 PolarHBondContact O-N 3.03Å; E124-F126 VanDerWaalsContact OE2-CE1 3.27Å; E124-F126 WeakPolarHBondContact OE2-CE1 3.46Å; E124-F126 WeakPolarHBondContact OE2-CZ 3.5Å
125N55.4Low62Low101 Ų10194 Ų9454%0.5454%0.538SS..  trans-71.181.5178.5-84.7-65.9000106.8Y96 E123 R127Y96-N125 PolarHBondContact OH-O 2.93Å; Y96-N125 VanDerWaalsContact OH-O 3.12Å; E123-N125 VanDerWaalsContact C-N 3.34Å; E123-N125 PolarHBondContact O-N 3.2Å; N125-R127 PolarHBondContact O-N 3.19Å
126F64.8Low63.5Low32 Ų3290.3 Ų90.314%0.1452%0.518CS..THydrogen-bonded Turntrans-61.69.1178.4-65.7-71.9000113.9S56 A57 M61 R93 Y96 E124S56-F126 PolarHBondContact OG-O 3.28Å; A57-F126 HydrophobicContact CB-CB 4.36Å; A57-F126 HydrophobicContact CB-CD1 4.34Å; A57-F126 PolarHBondContact N-O 3.05Å; M61-F126 HydrophobicContact CE-CB 4.28Å; M61-F126 HydrophobicContact CE-CD1 3.63Å; M61-F126 HydrophobicContact CE-CD2 3.59Å; M61-F126 HydrophobicContact CE-CE1 3.76Å; M61-F126 HydrophobicContact CE-CE2 3.7Å; M61-F126 HydrophobicContact CE-CG 3.56Å; M61-F126 HydrophobicContact CE-CZ 3.78Å; R93-F126 HydrophobicContact CG-CE1 4.31Å; R93-F126 HydrophobicContact CG-CZ 4.35Å; Y96-F126 AromaticContact CD1-CD1 3.62Å; Y96-F126 HydrophobicContact CD1-CD1 3.62Å; Y96-F126 AromaticContact CD1-CE1 3.97Å; Y96-F126 HydrophobicContact CD1-CE1 3.97Å; Y96-F126 AromaticContact CE1-CD1 3.72Å; Y96-F126 HydrophobicContact CE1-CD1 3.72Å; Y96-F126 HydrophobicContact CE1-CE1 4.36Å; Y96-F126 HydrophobicContact CG-CD1 4.22Å; Y96-F126 WeakPolarHBondContact OH-CA 3.3Å; E124-F126 HydrophobicContact CB-CD1 4.41Å; E124-F126 HydrophobicContact CB-CD2 4.13Å; E124-F126 HydrophobicContact CB-CE1 3.94Å; E124-F126 HydrophobicContact CB-CE2 3.64Å; E124-F126 HydrophobicContact CB-CG 4.49Å; E124-F126 HydrophobicContact CB-CZ 3.53Å; E124-F126 HydrophobicContact CG-CZ 4.21Å; E124-F126 WeakPolarHBondContact O-CD2 3.47Å; E124-F126 WeakPolarHBondContact O-CE2 3.29Å; E124-F126 PolarHBondContact O-N 3.03Å; E124-F126 VanDerWaalsContact OE2-CE1 3.27Å; E124-F126 WeakPolarHBondContact OE2-CE1 3.46Å; E124-F126 WeakPolarHBondContact OE2-CZ 3.5Å
127R65.1Low64.8Low204 Ų20483.3 Ų83.377%0.7748%0.481SS*.THydrogen-bonded Turntrans-80.6-16-173.6-63.4-176.1173.8-179.2-0113.4N125 H129N125-R127 PolarHBondContact O-N 3.19Å; R127-H129 PolarHBondContact O-N 3.44Å
128Q68Low66.4Low105 Ų10581.7 Ų81.749%0.49147%0.47SS..  trans-70.8129.7178.1-57.5-176.61.600110.5Y96 F130Y96-Q128 WeakPolarHBondContact CE2-O 3.41Å; Y96-Q128 WeakPolarHBondContact OH-CB 3.08Å; Y96-Q128 PolarHBondContact OH-N 3.39Å; Q128-F130 HydrophobicContact CB-CE2 3.89Å; Q128-F130 HydrophobicContact CB-CZ 4.14Å
129H70.3Confident68.5Low125 Ų12582.9 Ų82.958%0.57946%0.463SS*.  trans-89.3126.9-178.5-177.871.4000111.1S55 R127S55-H129 PolarHBondContact O-ND1 2.92Å; R127-H129 PolarHBondContact O-N 3.44Å
130F70.1Confident71Confident51 Ų5179.9 Ų79.922%0.22443%0.431CS..  trans-121.6114.7172.8-62.2-75.6000109.4Y96 R100 Q128 P132 L133Y96-F130 HydrophobicContact CD2-CD2 4.07Å; Y96-F130 HydrophobicContact CD2-CE2 4.24Å; Y96-F130 AromaticContact CE2-CD2 3.7Å; Y96-F130 HydrophobicContact CE2-CD2 3.7Å; Y96-F130 AromaticContact CE2-CE2 3.64Å; Y96-F130 HydrophobicContact CE2-CE2 3.64Å; R100-F130 HydrophobicContact CB-CZ 4.45Å; Q128-F130 HydrophobicContact CB-CE2 3.89Å; Q128-F130 HydrophobicContact CB-CZ 4.14Å; F130-P132 VanDerWaalsContact C-CD 3.42Å; F130-L133 HydrophobicContact CB-CB 4.11Å; F130-L133 WeakPolarHBondContact O-CB 3.32Å; F130-L133 PolarHBondContact O-N 2.93Å
131A69.8Low73.6Confident86 Ų8677.1 Ų77.171%0.71140%0.402SS*.THydrogen-bonded Turntrans-55.8-37.6178.800000114.9
132P81.6Confident76.2Confident72 Ų7271.6 Ų71.647%0.46837%0.374SS..THydrogen-bonded Turntrans-79.9-12.7179.731.2-35.2000114.3F130 K134 A135 N136F130-P132 VanDerWaalsContact C-CD 3.42Å; P132-K134 VanDerWaalsContact C-N 3.26Å; P132-K134 PolarHBondContact O-N 3.11Å; P132-K134 VanDerWaalsContact O-N 3.15Å; P132-A135 PolarHBondContact O-N 3.31Å; P132-N136 PolarHBondContact O-N 2.96Å; P132-N136 VanDerWaalsContact O-N 3.15Å; P132-N136 PolarHBondContact O-OD1 3.48Å
133L85Confident78.6Confident3 Ų373.8 Ų73.82%0.01637%0.374CS..Hα-helixtrans-56.8-39.6-172-177.964.4000112.7W54 A57 E95 Y96 F130 A135 N136 V137W54-L133 HydrophobicContact CH2-CB 4.36Å; W54-L133 HydrophobicContact CH2-CD2 4.13Å; W54-L133 HydrophobicContact CH2-CG 4.1Å; W54-L133 HydrophobicContact CZ3-CD2 3.99Å; W54-L133 HydrophobicContact CZ3-CG 4.45Å; A57-L133 HydrophobicContact CB-CD2 3.98Å; E95-L133 HydrophobicContact CB-CD1 3.9Å; Y96-L133 HydrophobicContact CD2-CD2 3.87Å; F130-L133 HydrophobicContact CB-CB 4.11Å; F130-L133 WeakPolarHBondContact O-CB 3.32Å; F130-L133 PolarHBondContact O-N 2.93Å; L133-A135 VanDerWaalsContact C-N 3.34Å; L133-A135 PolarHBondContact O-N 3.48Å; L133-N136 PolarHBondContact O-N 2.91Å; L133-V137 HydrophobicContact CD1-CG2 4.06Å; L133-V137 HydrophobicContact CG-CG2 4.27Å; L133-V137 WeakPolarHBondContact O-CB 3.41Å; L133-V137 VanDerWaalsContact O-CG2 3.25Å; L133-V137 WeakPolarHBondContact O-CG2 3.15Å; L133-V137 PolarHBondContact O-N 3.19Å
134K86.2Confident80.9Confident70 Ų7066.8 Ų66.830%0.30434%0.342SS..Hα-helixtrans-63.6-39.1179.9-176.6163.5-179.6166.30112.6T49 A50 A52 W54 P132 I138T49-K134 VanDerWaalsContact O-CE 3.31Å; T49-K134 WeakPolarHBondContact O-CE 3.34Å; A50-K134 VanDerWaalsContact O-CE 3.24Å; A50-K134 WeakPolarHBondContact O-CE 3.48Å; A50-K134 PolarHBondContact O-NZ 2.94Å; A52-K134 PolarHBondContact O-NZ 2.98Å; W54-K134 HydrophobicContact CH2-CB 3.73Å; W54-K134 HydrophobicContact CH2-CG 4.4Å; W54-K134 HydrophobicContact CZ2-CB 3.51Å; W54-K134 HydrophobicContact CZ2-CD 3.95Å; W54-K134 HydrophobicContact CZ2-CG 3.67Å; P132-K134 VanDerWaalsContact C-N 3.26Å; P132-K134 PolarHBondContact O-N 3.11Å; P132-K134 VanDerWaalsContact O-N 3.15Å; K134-I138 HydrophobicContact CG-CD1 4.06Å; K134-I138 WeakPolarHBondContact O-CD1 2.99Å; K134-I138 VanDerWaalsContact O-CG1 3.22Å; K134-I138 WeakPolarHBondContact O-CG1 3.2Å; K134-I138 PolarHBondContact O-N 3.47Å
135A89Confident82.8Confident59 Ų5965.5 Ų65.549%0.48834%0.336SS..Hα-helixtrans-68.8-47.2178.600000110.4P132 L133 V137 I138 E139P132-A135 PolarHBondContact O-N 3.31Å; L133-A135 VanDerWaalsContact C-N 3.34Å; L133-A135 PolarHBondContact O-N 3.48Å; A135-V137 PolarHBondContact O-N 3.5Å; A135-I138 PolarHBondContact O-N 2.91Å; A135-E139 PolarHBondContact O-N 3.35Å
136N90.6Very high84.6Confident53 Ų5365.3 Ų65.328%0.28334%0.339SS..Hα-helixtrans-60.6-45180-62.95.7000112P132 L133 I138 E139 A140P132-N136 PolarHBondContact O-N 2.96Å; P132-N136 VanDerWaalsContact O-N 3.15Å; P132-N136 PolarHBondContact O-OD1 3.48Å; L133-N136 PolarHBondContact O-N 2.91Å; N136-I138 VanDerWaalsContact C-N 3.33Å; N136-I138 PolarHBondContact O-N 3.44Å; N136-E139 PolarHBondContact O-N 3.38Å; N136-A140 WeakPolarHBondContact O-CB 3.48Å; N136-A140 PolarHBondContact O-N 3.05Å
137V91.4Very high85.9Confident0 Ų066.9 Ų66.90%035%0.347CS..Hα-helixtrans-62.4-40.6177.3171.60000111.3T49 I92 E95 L133 A135 E139 A140 I141T49-V137 HydrophobicContact CG2-CG1 3.9Å; I92-V137 HydrophobicContact CG1-CG1 3.74Å; I92-V137 HydrophobicContact CG1-CG2 4.2Å; E95-V137 HydrophobicContact CB-CG2 3.98Å; E95-V137 HydrophobicContact CG-CG2 4.26Å; L133-V137 HydrophobicContact CD1-CG2 4.06Å; L133-V137 HydrophobicContact CG-CG2 4.27Å; L133-V137 WeakPolarHBondContact O-CB 3.41Å; L133-V137 VanDerWaalsContact O-CG2 3.25Å; L133-V137 WeakPolarHBondContact O-CG2 3.15Å; L133-V137 PolarHBondContact O-N 3.19Å; A135-V137 PolarHBondContact O-N 3.5Å; V137-E139 VanDerWaalsContact C-N 3.33Å; V137-A140 PolarHBondContact O-N 3.39Å; V137-I141 HydrophobicContact CG1-CD1 3.82Å; V137-I141 HydrophobicContact CG1-CG1 4.44Å; V137-I141 WeakPolarHBondContact O-CD1 3.04Å; V137-I141 WeakPolarHBondContact O-CG1 3.31Å; V137-I141 PolarHBondContact O-N 3.48Å
138I91.6Very high87.2Confident42 Ų4257.7 Ų57.722%0.21531%0.313CS..Hα-helixtrans-66-39.3177.8-70167.6000110.9R46 T49 A50 K134 A135 N136 I141 N142R46-I138 HydrophobicContact CG-CG2 4.41Å; T49-I138 HydrophobicContact CG2-CG1 4.37Å; A50-I138 HydrophobicContact CB-CD1 4.04Å; K134-I138 HydrophobicContact CG-CD1 4.06Å; K134-I138 WeakPolarHBondContact O-CD1 2.99Å; K134-I138 VanDerWaalsContact O-CG1 3.22Å; K134-I138 WeakPolarHBondContact O-CG1 3.2Å; K134-I138 PolarHBondContact O-N 3.47Å; A135-I138 PolarHBondContact O-N 2.91Å; N136-I138 VanDerWaalsContact C-N 3.33Å; N136-I138 PolarHBondContact O-N 3.44Å; I138-I141 PolarHBondContact O-N 2.95Å; I138-N142 PolarHBondContact O-N 3.22Å; I138-N142 PolarHBondContact O-ND2 3.47Å; I138-N142 VanDerWaalsContact O-ND2 3.12Å
139E93.7Very high88.2Confident134 Ų13458.1 Ų58.163%0.62632%0.315SS*.Hα-helixtrans-64.2-48.4176-172.7168-170.400111.6A135 N136 V137 I141 N142 E143A135-E139 PolarHBondContact O-N 3.35Å; N136-E139 PolarHBondContact O-N 3.38Å; V137-E139 VanDerWaalsContact C-N 3.33Å; E139-I141 VanDerWaalsContact C-N 3.31Å; E139-I141 PolarHBondContact O-N 3.24Å; E139-N142 WeakPolarHBondContact O-CA 3.27Å; E139-N142 WeakPolarHBondContact O-CB 3.47Å; E139-N142 PolarHBondContact O-N 3.04Å; E139-E143 PolarHBondContact O-N 3.42Å
140A93.9Very high89.2Confident12 Ų1253.3 Ų53.310%0.09930%0.299CS..Hα-helixtrans-60.8-37.6176.200000112.6I91 E95 N136 V137 N142 E143 L144I91-A140 HydrophobicContact CG2-CB 3.45Å; I91-A140 VanDerWaalsContact CG2-CB 3.45Å; E95-A140 HydrophobicContact CG-CB 4.42Å; N136-A140 WeakPolarHBondContact O-CB 3.48Å; N136-A140 PolarHBondContact O-N 3.05Å; V137-A140 PolarHBondContact O-N 3.39Å; A140-N142 VanDerWaalsContact C-N 3.32Å; A140-N142 PolarHBondContact O-N 3.07Å; A140-E143 PolarHBondContact O-N 2.71Å; A140-L144 PolarHBondContact O-N 2.97Å
141I94.1Very high90.2Very high0 Ų051 Ų510%029%0.289CS..Hα-helixtrans-66.6-33.9173.1-65.9166.4000111.5T42 R46 V88 V137 I138 E139 L145T42-I141 HydrophobicContact CG2-CG2 3.77Å; R46-I141 HydrophobicContact CB-CG2 3.72Å; R46-I141 HydrophobicContact CG-CG2 4.08Å; V88-I141 HydrophobicContact CG1-CD1 3.94Å; V88-I141 HydrophobicContact CG1-CG1 4.28Å; V88-I141 HydrophobicContact CG2-CG1 4.42Å; V137-I141 HydrophobicContact CG1-CD1 3.82Å; V137-I141 HydrophobicContact CG1-CG1 4.44Å; V137-I141 WeakPolarHBondContact O-CD1 3.04Å; V137-I141 WeakPolarHBondContact O-CG1 3.31Å; V137-I141 PolarHBondContact O-N 3.48Å; I138-I141 PolarHBondContact O-N 2.95Å; E139-I141 VanDerWaalsContact C-N 3.31Å; E139-I141 PolarHBondContact O-N 3.24Å; I141-L145 WeakPolarHBondContact O-CG 3.21Å; I141-L145 PolarHBondContact O-N 2.9Å
142N95.2Very high91.3Very high54 Ų5449 Ų4929%0.28927%0.268SS..Hα-helixtrans-69.5-40.4174.8-72.2-40.1000111.9R46 I138 E139 A140 L144 L145 T146R46-N142 WeakPolarHBondContact CD-OD1 3.5Å; R46-N142 PolarHBondContact NH1-OD1 3.39Å; I138-N142 PolarHBondContact O-N 3.22Å; I138-N142 PolarHBondContact O-ND2 3.47Å; I138-N142 VanDerWaalsContact O-ND2 3.12Å; E139-N142 WeakPolarHBondContact O-CA 3.27Å; E139-N142 WeakPolarHBondContact O-CB 3.47Å; E139-N142 PolarHBondContact O-N 3.04Å; A140-N142 VanDerWaalsContact C-N 3.32Å; A140-N142 PolarHBondContact O-N 3.07Å; N142-L144 VanDerWaalsContact C-N 3.32Å; N142-L144 PolarHBondContact O-N 3.49Å; N142-L145 WeakPolarHBondContact O-CB 3.46Å; N142-L145 PolarHBondContact O-N 3.18Å; N142-L145 VanDerWaalsContact O-N 3.14Å; N142-T146 PolarHBondContact O-N 2.91Å; N142-T146 PolarHBondContact O-OG1 3.47Å
143E95Very high91.8Very high146 Ų14650.4 Ų50.468%0.68227%0.272SS*.Hα-helixtrans-58.9-46173.9-175.7176.9-172.400111E139 A140 L145 T146 E147E139-E143 PolarHBondContact O-N 3.42Å; A140-E143 PolarHBondContact O-N 2.71Å; E143-L145 VanDerWaalsContact C-N 3.3Å; E143-L145 PolarHBondContact O-N 2.95Å; E143-T146 PolarHBondContact O-N 3.07Å; E143-T146 VanDerWaalsContact O-N 3.12Å; E143-E147 PolarHBondContact O-N 2.94Å
144L93.9Very high92.2Very high10 Ų1053.8 Ų53.85%0.05229%0.289CS..Hα-helixtrans-58.2-40.4173.7176.763.2000112.3T42 M84 V88 I91 A140 N142 E147 L148T42-L144 HydrophobicContact CG2-CD2 3.95Å; T42-L144 HydrophobicContact CG2-CG 4.29Å; M84-L144 HydrophobicContact CE-CD1 4.13Å; M84-L144 HydrophobicContact CE-CD2 3.66Å; M84-L144 HydrophobicContact CE-CG 4.18Å; V88-L144 HydrophobicContact CG2-CD2 4.37Å; I91-L144 HydrophobicContact CD1-CB 4.42Å; I91-L144 HydrophobicContact CD1-CD2 3.85Å; A140-L144 PolarHBondContact O-N 2.97Å; N142-L144 VanDerWaalsContact C-N 3.32Å; N142-L144 PolarHBondContact O-N 3.49Å; L144-E147 WeakPolarHBondContact CD1-OE2 3.41Å; L144-E147 WeakPolarHBondContact O-CB 3.41Å; L144-E147 PolarHBondContact O-N 2.73Å; L144-L148 HydrophobicContact CD1-CG 4.44Å; L144-L148 HydrophobicContact CG-CD1 4.49Å; L144-L148 VanDerWaalsContact O-CG 3.26Å; L144-L148 WeakPolarHBondContact O-CG 3.48Å; L144-L148 PolarHBondContact O-N 2.95Å
145L93.8Very high92.7Very high17 Ų1750.4 Ų50.49%0.08928%0.275CS..Hα-helixtrans-62-42.8175.4-79.3168.7000111.9R39 T42 I141 N142 E143 L148 E149R39-L145 HydrophobicContact CG-CD2 3.91Å; R39-L145 WeakPolarHBondContact O-CD2 3.44Å; T42-L145 HydrophobicContact CG2-CD1 4.5Å; T42-L145 HydrophobicContact CG2-CD2 3.74Å; T42-L145 HydrophobicContact CG2-CG 3.73Å; I141-L145 WeakPolarHBondContact O-CG 3.21Å; I141-L145 PolarHBondContact O-N 2.9Å; N142-L145 WeakPolarHBondContact O-CB 3.46Å; N142-L145 PolarHBondContact O-N 3.18Å; N142-L145 VanDerWaalsContact O-N 3.14Å; E143-L145 VanDerWaalsContact C-N 3.3Å; E143-L145 PolarHBondContact O-N 2.95Å; L145-L148 PolarHBondContact O-N 3.3Å; L145-E149 WeakPolarHBondContact O-CG 3.18Å; L145-E149 PolarHBondContact O-N 2.77Å
146T93.6Very high92.9Very high97 Ų9748.3 Ų48.360%0.59526%0.256SS*.Hα-helixtrans-65.9-39.2176.6-57.90000111.7N142 E143 L148 E149 G150N142-T146 PolarHBondContact O-N 2.91Å; N142-T146 PolarHBondContact O-OG1 3.47Å; E143-T146 PolarHBondContact O-N 3.07Å; E143-T146 VanDerWaalsContact O-N 3.12Å; T146-L148 PolarHBondContact O-N 3.01Å; T146-E149 PolarHBondContact O-N 2.97Å; T146-G150 PolarHBondContact O-N 3.31Å
147E92.4Very high93Very high65 Ų6552.2 Ų52.230%0.30428%0.275SS..Hα-helixtrans-58.5-45.9173.1-169.7-151.9154.900111.4R87 E143 L144 E149 G150 T151 N331R87-E147 IonicContact NH1-OE1 3.56Å; R87-E147 IonicContact NH1-OE2 2.55Å; E143-E147 PolarHBondContact O-N 2.94Å; L144-E147 WeakPolarHBondContact CD1-OE2 3.41Å; L144-E147 WeakPolarHBondContact O-CB 3.41Å; L144-E147 PolarHBondContact O-N 2.73Å; E147-E149 VanDerWaalsContact C-N 3.31Å; E147-E149 PolarHBondContact O-N 2.75Å; E147-G150 PolarHBondContact O-N 3.29Å; E147-T151 PolarHBondContact O-N 3.23Å; E147-T151 PolarHBondContact O-OG1 3.46Å; E147-N331 PolarHBondContact OE1-ND2 3.43Å
148L91.1Very high93.1Very high10 Ų1053.7 Ų53.75%0.05228%0.281CS..Hα-helixtrans-61.8-37.4179.8-71.2175.5000112.4A38 M84 L144 L145 T146 T151 F276A38-L148 HydrophobicContact CB-CD1 4.33Å; M84-L148 HydrophobicContact CE-CD1 4.17Å; M84-L148 HydrophobicContact SD-CD2 4.48Å; L144-L148 HydrophobicContact CD1-CG 4.44Å; L144-L148 HydrophobicContact CG-CD1 4.49Å; L144-L148 VanDerWaalsContact O-CG 3.26Å; L144-L148 WeakPolarHBondContact O-CG 3.48Å; L144-L148 PolarHBondContact O-N 2.95Å; L145-L148 PolarHBondContact O-N 3.3Å; T146-L148 PolarHBondContact O-N 3.01Å; L148-T151 PolarHBondContact O-OG1 2.84Å; L148-F276 HydrophobicContact CD2-CB 3.74Å; L148-F276 HydrophobicContact CD2-CD1 3.39Å; L148-F276 HydrophobicContact CD2-CE1 4.24Å; L148-F276 HydrophobicContact CD2-CG 3.84Å
149E90.3Very high93.2Very high115 Ų11551.7 Ų51.754%0.53727%0.271SS..Hα-helixtrans-67.5-40.7178.7-72.1178.4174.400112R39 L145 T146 E147 T151R39-E149 IonicContact NH1-OE1 3.82Å; L145-E149 WeakPolarHBondContact O-CG 3.18Å; L145-E149 PolarHBondContact O-N 2.77Å; T146-E149 PolarHBondContact O-N 2.97Å; E147-E149 VanDerWaalsContact C-N 3.31Å; E147-E149 PolarHBondContact O-N 2.75Å; E149-T151 VanDerWaalsContact C-N 3.34Å; E149-T151 PolarHBondContact O-N 2.66Å
150G90.8Very high93.2Very high23 Ų2346.9 Ų46.924%0.23725%0.25CC..Hα-helixtrans-81-5.618000000115.6T146 E147 T152 D153 N154T146-G150 PolarHBondContact O-N 3.31Å; E147-G150 PolarHBondContact O-N 3.29Å; G150-T152 PolarHBondContact O-N 3.29Å; G150-D153 PolarHBondContact O-N 3.27Å; G150-N154 VanDerWaalsContact O-CG 3.3Å; G150-N154 PolarHBondContact O-N 3.43Å; G150-N154 PolarHBondContact O-ND2 3.45Å
151T92.1Very high93.1Very high3 Ų353.2 Ų53.22%0.01828%0.277CS..Hα-helixtrans-61.6-40.3-170.2-65.10000113.4E147 L148 E149 I155 P274 F276 N331E147-T151 PolarHBondContact O-N 3.23Å; E147-T151 PolarHBondContact O-OG1 3.46Å; L148-T151 PolarHBondContact O-OG1 2.84Å; E149-T151 VanDerWaalsContact C-N 3.34Å; E149-T151 PolarHBondContact O-N 2.66Å; T151-I155 HydrophobicContact CG2-CD1 4.09Å; T151-I155 WeakPolarHBondContact O-CG1 3.45Å; T151-I155 PolarHBondContact O-N 2.81Å; T151-P274 HydrophobicContact CG2-CB 3.29Å; T151-F276 HydrophobicContact CG2-CE1 4.22Å; T151-N331 HydrophobicContact CG2-CB 4.01Å
152T91.4Very high93.1Very high43 Ų4355.1 Ų55.126%0.26429%0.286SS..Hα-helixtrans-69.7-38.8-178.1-56.80000111.3G150 I155 S156 A180G150-T152 PolarHBondContact O-N 3.29Å; T152-I155 PolarHBondContact O-N 3.37Å; T152-S156 WeakPolarHBondContact O-CB 3.48Å; T152-S156 PolarHBondContact O-N 3.17Å; T152-A180 HydrophobicContact CG2-CB 3.66Å
153D92.8Very high93.1Very high103 Ų10352.6 Ų52.655%0.55127%0.272SS*.Hα-helixtrans-67.7-43.9179.9-64.4-21.6000110.6G150 I155 S156 M157G150-D153 PolarHBondContact O-N 3.27Å; D153-I155 VanDerWaalsContact C-N 3.34Å; D153-I155 PolarHBondContact O-N 3.35Å; D153-S156 WeakPolarHBondContact CA-OG 3.48Å; D153-S156 PolarHBondContact O-N 3.33Å; D153-S156 VanDerWaalsContact O-N 3.11Å; D153-S156 PolarHBondContact O-OG 3.38Å; D153-M157 PolarHBondContact O-N 2.69Å
154N94.2Very high93.1Very high73 Ų7349.9 Ų49.939%0.3926%0.26SS..Hα-helixtrans-57.7-44.9175.6-70.1-18.9000112.2G150 M157 N331G150-N154 VanDerWaalsContact O-CG 3.3Å; G150-N154 PolarHBondContact O-N 3.43Å; G150-N154 PolarHBondContact O-ND2 3.45Å; N154-M157 PolarHBondContact O-N 3.45Å; N154-N331 HydrophobicContact CB-CB 4.12Å
155I94.9Very high93.1Very high0 Ų052.6 Ų52.60%028%0.279CS..Hα-helixtrans-64.6-43.3175.7-68.4168000110.5T151 T152 D153 M157 Q158 T177 F181 C272 P274 I329T151-I155 HydrophobicContact CG2-CD1 4.09Å; T151-I155 WeakPolarHBondContact O-CG1 3.45Å; T151-I155 PolarHBondContact O-N 2.81Å; T152-I155 PolarHBondContact O-N 3.37Å; D153-I155 VanDerWaalsContact C-N 3.34Å; D153-I155 PolarHBondContact O-N 3.35Å; I155-M157 VanDerWaalsContact C-N 3.29Å; I155-M157 PolarHBondContact O-N 2.86Å; I155-Q158 PolarHBondContact O-N 2.89Å; I155-T177 HydrophobicContact CB-CG2 4.35Å; I155-T177 HydrophobicContact CD1-CG2 3.82Å; I155-T177 HydrophobicContact CG2-CG2 3.84Å; I155-F181 HydrophobicContact CG2-CD2 3.89Å; I155-F181 HydrophobicContact CG2-CE2 4.48Å; I155-F181 VanDerWaalsContact O-CD2 3.25Å; I155-F181 WeakPolarHBondContact O-CD2 3.31Å; I155-F181 WeakPolarHBondContact O-CE2 3.35Å; I155-C272 HydrophobicContact CG2-CB 4.41Å; I155-P274 HydrophobicContact CD1-CB 4.16Å; I155-I329 HydrophobicContact CG2-CG2 3.98Å
156S93.8Very high93.2Very high14 Ų1457.7 Ų57.710%0.09831%0.307CS..Hα-helixtrans-63-34.8-178.8740000113.1T152 D153 Q158 A159T152-S156 WeakPolarHBondContact O-CB 3.48Å; T152-S156 PolarHBondContact O-N 3.17Å; D153-S156 WeakPolarHBondContact CA-OG 3.48Å; D153-S156 PolarHBondContact O-N 3.33Å; D153-S156 VanDerWaalsContact O-N 3.11Å; D153-S156 PolarHBondContact O-OG 3.38Å; S156-Q158 PolarHBondContact O-N 2.98Å; S156-A159 WeakPolarHBondContact O-CB 3.11Å; S156-A159 PolarHBondContact O-N 3.03Å
157M92.4Very high93.3Very high136 Ų13654.3 Ų54.367%0.6728%0.284SS*.Hα-helixtrans-63.9-30.9179.2-168.2174.1-67.400112.6D153 N154 I155 A159D153-M157 PolarHBondContact O-N 2.69Å; N154-M157 PolarHBondContact O-N 3.45Å; I155-M157 VanDerWaalsContact C-N 3.29Å; I155-M157 PolarHBondContact O-N 2.86Å; M157-A159 PolarHBondContact O-N 3.5Å
158Q93.9Very high93.5Very high30 Ų3052.8 Ų52.814%0.1428%0.279CS..THydrogen-bonded Turntrans-73.4-10.5176.9-61.6172.514.300112.7I155 S156 L160 E161 H162 I329 S330I155-Q158 PolarHBondContact O-N 2.89Å; S156-Q158 PolarHBondContact O-N 2.98Å; Q158-L160 PolarHBondContact O-N 3.04Å; Q158-E161 PolarHBondContact O-N 2.9Å; Q158-E161 VanDerWaalsContact O-N 3.15Å; Q158-H162 PolarHBondContact O-CD2 3.07Å; Q158-I329 VanDerWaalsContact OE1-CG2 3.28Å; Q158-S330 PolarHBondContact NE2-O 3.46Å; Q158-S330 PolarHBondContact OE1-O 3.21Å
159A94.1Very high93.8Very high0 Ų052.3 Ų52.30%028%0.277CS..Hα-helixtrans-62-31.2-174.800000114.1S156 M157 E161 H162 I163 F181 A185S156-A159 WeakPolarHBondContact O-CB 3.11Å; S156-A159 PolarHBondContact O-N 3.03Å; M157-A159 PolarHBondContact O-N 3.5Å; A159-E161 PolarHBondContact O-N 3.29Å; A159-H162 PolarHBondContact O-N 3.34Å; A159-I163 HydrophobicContact CB-CD1 4.47Å; A159-I163 PolarHBondContact O-N 3.15Å; A159-F181 HydrophobicContact CB-CD1 3.82Å; A159-F181 HydrophobicContact CB-CD2 3.57Å; A159-F181 HydrophobicContact CB-CE1 3.8Å; A159-F181 HydrophobicContact CB-CE2 3.57Å; A159-F181 HydrophobicContact CB-CG 3.72Å; A159-F181 HydrophobicContact CB-CZ 3.71Å; A159-F181 WeakPolarHBondContact CB-O 3.39Å; A159-A185 HydrophobicContact CB-CB 3.94Å
160L92.8Very high94.1Very high33 Ų3346.8 Ų46.817%0.17325%0.251CS..Hα-helixtrans-67.5-22.6179.8-67.5173.1000113.5Q158 K188 R189Q158-L160 PolarHBondContact O-N 3.04Å; L160-K188 HydrophobicContact CD1-CD 3.73Å; L160-K188 VanDerWaalsContact CD1-NZ 3.3Å; L160-K188 HydrophobicContact CD2-CB 3.98Å; L160-K188 HydrophobicContact CD2-CD 3.86Å; L160-K188 HydrophobicContact CD2-CG 4.24Å; L160-K188 HydrophobicContact CG-CD 4.49Å; L160-R189 PolarHBondContact O-NH1 2.72Å; L160-R189 PolarHBondContact O-NH2 3.27Å
161E93.1Very high94.4Very high146 Ų14645.7 Ų45.768%0.68224%0.24SC*.Hα-helixtrans-79.9-28.5177.8-62.1-178.3-176.700111.5Q158 A159Q158-E161 PolarHBondContact O-N 2.9Å; Q158-E161 VanDerWaalsContact O-N 3.15Å; A159-E161 PolarHBondContact O-N 3.29Å
162H93.3Very high94.6Very high40 Ų4045.8 Ų45.819%0.18524%0.24CC..Hα-helixtrans-100.4-31.2-172.6-65.7-65.1000114.6Q158 A159 F181 K235 I329Q158-H162 PolarHBondContact O-CD2 3.07Å; A159-H162 PolarHBondContact O-N 3.34Å; H162-F181 HydrophobicContact CB-CZ 4.21Å; H162-K235 WeakPolarHBondContact O-CE 3.36Å; H162-I329 WeakPolarHBondContact CD2-CD1 3.43Å
163I95.4Very high94.6Very high0 Ų043.8 Ų43.80%023%0.228CC..  trans-103.4115.9-173.9-64.9172.5000110.5A159 I169 F181 L182 A185 R189 F191 I237A159-I163 HydrophobicContact CB-CD1 4.47Å; A159-I163 PolarHBondContact O-N 3.15Å; I163-I169 HydrophobicContact CB-CD1 4.3Å; I163-I169 HydrophobicContact CD1-CD1 3.85Å; I163-I169 HydrophobicContact CG1-CD1 3.7Å; I163-I169 HydrophobicContact CG2-CD1 3.77Å; I163-F181 HydrophobicContact CD1-CD1 3.76Å; I163-F181 HydrophobicContact CD1-CE1 3.53Å; I163-F181 HydrophobicContact CG1-CE1 4.02Å; I163-L182 HydrophobicContact CD1-CD2 3.74Å; I163-A185 HydrophobicContact CB-CB 4.02Å; I163-A185 HydrophobicContact CD1-CB 3.6Å; I163-A185 HydrophobicContact CG1-CB 4.38Å; I163-A185 HydrophobicContact CG2-CB 4.12Å; I163-R189 WeakPolarHBondContact O-CD 3.46Å; I163-R189 PolarHBondContact O-NH1 2.81Å; I163-F191 HydrophobicContact CG2-CD1 3.57Å; I163-F191 HydrophobicContact CG2-CD2 4.36Å; I163-F191 HydrophobicContact CG2-CE1 3.73Å; I163-F191 HydrophobicContact CG2-CE2 4.49Å; I163-F191 HydrophobicContact CG2-CG 3.92Å; I163-F191 HydrophobicContact CG2-CZ 4.2Å; I163-I237 HydrophobicContact CD1-CD1 4.17Å; I163-I237 HydrophobicContact CG1-CD1 4.14Å
164H94.6Very high94.5Very high89 Ų8942.3 Ų42.341%0.41221%0.214SC..  trans-99.2164.7175-54.982000112.9E167 R189H164-E167 HydrophobicContact CB-CG 4.03Å; H164-E167 WeakPolarHBondContact CB-OE1 3.35Å; H164-E167 IonicContact CG-OE1 2.69Å; H164-E167 VanDerWaalsContact N-CD 3.34Å; H164-E167 PolarHBondContact N-OE2 3.33Å; H164-E167 VanDerWaalsContact N-OE2 3.08Å; H164-E167 IonicContact ND1-OE1 3.01Å; H164-E167 PolarHBondContact ND1-OE1 3.19Å; H164-E167 VanDerWaalsContact ND1-OE1 3.17Å; H164-E167 WeakPolarHBondContact O-CG 3.29Å; H164-R189 PolarHBondContact CD2-NH1 3.24Å; H164-R189 VanDerWaalsContact CD2-NH1 3.29Å
165S95.1Very high94.4Very high67 Ų6739.5 Ų39.547%0.46920%0.201SC..THydrogen-bonded Turntrans-64.8145.1176.8-59.10000111.3E167 K190S165-E167 PolarHBondContact O-N 3.47Å; S165-K190 CarbonylContact C-O 3.45Å; S165-K190 VanDerWaalsContact CA-O 3.29Å; S165-K190 WeakPolarHBondContact CA-O 3.33Å
166N94.6Very high94.2Very high125 Ų12545.7 Ų45.767%0.66822%0.224SC*.THydrogen-bonded Turntrans61.319.1-179.3-55.5-31.4000115K190N166-K190 PolarHBondContact N-O 3.22Å
167E96.1Very high94.2Very high26 Ų2645.6 Ų45.612%0.12122%0.223CC..  trans-79.8151.4170.3-66.4-173.8162.200111.4H164 S165 F191 H192 K235H164-E167 HydrophobicContact CB-CG 4.03Å; H164-E167 WeakPolarHBondContact CB-OE1 3.35Å; H164-E167 IonicContact CG-OE1 2.69Å; H164-E167 VanDerWaalsContact N-CD 3.34Å; H164-E167 PolarHBondContact N-OE2 3.33Å; H164-E167 VanDerWaalsContact N-OE2 3.08Å; H164-E167 IonicContact ND1-OE1 3.01Å; H164-E167 PolarHBondContact ND1-OE1 3.19Å; H164-E167 VanDerWaalsContact ND1-OE1 3.17Å; H164-E167 WeakPolarHBondContact O-CG 3.29Å; S165-E167 PolarHBondContact O-N 3.47Å; E167-F191 WeakPolarHBondContact O-CB 3.47Å; E167-H192 PolarHBondContact O-N 2.87Å; E167-K235 IonicContact OE1-NZ 2.63Å; E167-K235 PolarHBondContact OE1-NZ 3.35Å; E167-K235 IonicContact OE2-NZ 2.79Å; E167-K235 PolarHBondContact OE2-NZ 3Å
168V97.1Very high94.3Very high32 Ų3239.1 Ų39.119%0.19419%0.191CC..EExtended strand (participates in β ladder)trans-103.8111.6170.2-176.70000108.2H192 I194 V233 N234 K235V168-H192 HydrophobicContact CG2-CB 4.46Å; V168-I194 HydrophobicContact CG1-CD1 3.59Å; V168-I194 HydrophobicContact CG1-CG1 3.95Å; V168-V233 HydrophobicContact CG1-CG2 4.42Å; V168-N234 PolarHBondContact N-OD1 3.29Å; V168-N234 PolarHBondContact O-N 2.91Å; V168-K235 PolarHBondContact O-N 3.03Å
169I97.6Very high94.4Very high0 Ų038.6 Ų38.60%019%0.188CC..EExtended strand (participates in β ladder)trans-102.4138.5-179.9-61.4173.4000109I163 L182 F191 H192 V193 I194 K235 I237I163-I169 HydrophobicContact CB-CD1 4.3Å; I163-I169 HydrophobicContact CD1-CD1 3.85Å; I163-I169 HydrophobicContact CG1-CD1 3.7Å; I163-I169 HydrophobicContact CG2-CD1 3.77Å; I169-L182 HydrophobicContact CD1-CD2 3.88Å; I169-L182 HydrophobicContact CG2-CD2 4.22Å; I169-F191 HydrophobicContact CD1-CD2 3.78Å; I169-F191 HydrophobicContact CD1-CE2 3.97Å; I169-F191 HydrophobicContact CD1-CG 4.43Å; I169-H192 PolarHBondContact N-O 3.37Å; I169-V193 HydrophobicContact CB-CG2 4.47Å; I169-V193 CarbonylContact O-C 3.52Å; I169-V193 WeakPolarHBondContact O-CA 2.98Å; I169-I194 PolarHBondContact O-N 3.2Å; I169-K235 WeakPolarHBondContact CA-O 3.5Å; I169-I237 HydrophobicContact CD1-CD1 4.12Å; I169-I237 HydrophobicContact CG2-CB 4.09Å; I169-I237 HydrophobicContact CG2-CD1 3.79Å; I169-I237 HydrophobicContact CG2-CG1 3.81Å
170M97.1Very high94.4Very high0 Ų039.9 Ų39.90%020%0.199CC..EExtended strand (participates in β ladder)trans-112.5136.3172.6-172.6173.3-17100111.5I194 A196 I221 I226 M230 V233 K235 V236 I237 L258M170-I194 CarbonylContact C-O 3.57Å; M170-I194 WeakPolarHBondContact CA-O 3.16Å; M170-I194 HydrophobicContact CG-CB 4.5Å; M170-A196 HydrophobicContact CE-CB 4.38Å; M170-I221 HydrophobicContact CE-CD1 3.7Å; M170-I226 HydrophobicContact CE-CB 3.89Å; M170-I226 HydrophobicContact CE-CG1 3.59Å; M170-I226 HydrophobicContact CE-CG2 3.67Å; M170-I226 HydrophobicContact SD-CG2 4.48Å; M170-M230 HydrophobicContact SD-CE 3.57Å; M170-M230 VanDerWaalsContact SD-CE 3.57Å; M170-M230 HydrophobicContact SD-SD 4.19Å; M170-V233 HydrophobicContact CB-CB 4.4Å; M170-V233 HydrophobicContact CB-CG1 3.56Å; M170-V233 HydrophobicContact CB-CG2 3.91Å; M170-V233 HydrophobicContact SD-CG2 4.04Å; M170-K235 PolarHBondContact N-O 3.14Å; M170-V236 HydrophobicContact CB-CG2 4.32Å; M170-V236 WeakPolarHBondContact O-CA 3.48Å; M170-I237 PolarHBondContact O-N 2.96Å; M170-L258 HydrophobicContact CE-CD1 3.93Å; M170-L258 HydrophobicContact CE-CG 4.46Å; M170-L258 HydrophobicContact CG-CD1 4.36Å; M170-L258 HydrophobicContact SD-CD1 4.32Å
171T96.6Very high94.5Very high0 Ų038.3 Ų38.30%019%0.191CC..EExtended strand (participates in β ladder)trans-135160.2175.8-177.90000110.1V193 I194 V195 A196 M207 I237T171-V193 HydrophobicContact CG2-CG1 3.86Å; T171-I194 PolarHBondContact N-O 2.8Å; T171-V195 HydrophobicContact CG2-CB 4.18Å; T171-V195 HydrophobicContact CG2-CG1 4.18Å; T171-V195 HydrophobicContact CG2-CG2 3.74Å; T171-A196 PolarHBondContact O-N 3.09Å; T171-M207 HydrophobicContact CG2-CE 3.86Å; T171-I237 WeakPolarHBondContact CA-O 3.48Å; T171-I237 VanDerWaalsContact CB-O 3.31Å; T171-I237 WeakPolarHBondContact CB-O 3.34Å; T171-I237 PolarHBondContact OG1-O 3.48Å
172I95.1Very high94.7Very high5 Ų531.3 Ų31.33%0.02616%0.158CC..EExtended strand (participates in β ladder)trans-126.6140.2178.4-172.5166.9000111.5A196 C198 I226 I238 V252 G254 T255 L258I172-A196 HydrophobicContact CB-CB 4.23Å; I172-A196 HydrophobicContact CG1-CB 4.03Å; I172-C198 HydrophobicContact CG1-CB 4.24Å; I172-I226 HydrophobicContact CD1-CD1 4.39Å; I172-I238 HydrophobicContact CG2-CG2 3.89Å; I172-V252 HydrophobicContact CG1-CG2 4.32Å; I172-V252 HydrophobicContact CG2-CG2 4.13Å; I172-G254 VanDerWaalsContact CD1-C 3.44Å; I172-G254 WeakPolarHBondContact CD1-O 3.33Å; I172-T255 HydrophobicContact CG2-CG2 4.36Å; I172-L258 HydrophobicContact CB-CD1 3.79Å; I172-L258 HydrophobicContact CD1-CD1 4.25Å; I172-L258 HydrophobicContact CG2-CD1 4.15Å
173G91.4Very high94.8Very high0 Ų034.9 Ų34.90%017%0.17CC..SBendtrans60.6-145.6176.500000112.6A196 G204 M207G173-A196 PolarHBondContact N-O 2.66Å; G173-G204 WeakPolarHBondContact O-CA 3.27Å; G173-M207 VanDerWaalsContact O-SD 3.34Å
174R91.2Very high94.8Very high72 Ų7236.6 Ų36.627%0.27218%0.179SC..  trans-124122.1-178.6-178.1-176.2176.4-172.111.4111.2Q203 E206 M207R174-Q203 HydrophobicContact CB-CB 3.98Å; R174-E206 IonicContact CZ-OE1 3.91Å; R174-E206 IonicContact CZ-OE2 2.65Å; R174-E206 VanDerWaalsContact CZ-OE2 3.23Å; R174-E206 IonicContact NE-OE1 2.73Å; R174-E206 IonicContact NE-OE2 2.74Å; R174-E206 IonicContact NH1-OE1 3.55Å; R174-E206 PolarHBondContact NH1-OE1 3.38Å; R174-E206 IonicContact NH1-OE2 3.84Å; R174-E206 PolarHBondContact NH1-OE2 3.31Å; R174-E206 IonicContact NH2-OE1 3.44Å; R174-E206 PolarHBondContact NH2-OE1 2.77Å; R174-E206 IonicContact NH2-OE2 3.6Å; R174-M207 HydrophobicContact CB-CB 4.41Å; R174-M207 HydrophobicContact CG-CB 4.28Å
175S91.9Very high94.8Very high15 Ų1532.3 Ų32.311%0.10516%0.16CC..  trans-134.4122.5170174.90000110.6T177 V178 E179S175-T177 VanDerWaalsContact C-N 3.27Å; S175-T177 PolarHBondContact O-N 3.21Å; S175-V178 PolarHBondContact O-N 3.33Å; S175-V178 PolarHBondContact OG-N 3.39Å; S175-E179 WeakPolarHBondContact O-CB 3.39Å; S175-E179 PolarHBondContact O-N 3.46Å
176R91.3Very high94.8Very high129 Ų12930.4 Ų30.449%0.48715%0.148SC..Hα-helixtrans-62-36.5178.2-61.6-178.2-169.7165.64.9111.9E179 A180R176-E179 PolarHBondContact O-N 3.45Å; R176-A180 WeakPolarHBondContact O-CB 3.42Å; R176-A180 PolarHBondContact O-N 3.4Å
177T93.4Very high94.7Very high13 Ų1333.6 Ų33.68%0.0815%0.15CC..Hα-helixtrans-66.7-44178.1-50.90000111.3I155 S175 A180 F181 C272I155-T177 HydrophobicContact CB-CG2 4.35Å; I155-T177 HydrophobicContact CD1-CG2 3.82Å; I155-T177 HydrophobicContact CG2-CG2 3.84Å; S175-T177 VanDerWaalsContact C-N 3.27Å; S175-T177 PolarHBondContact O-N 3.21Å; T177-A180 PolarHBondContact O-N 2.96Å; T177-F181 VanDerWaalsContact O-CB 3.29Å; T177-F181 WeakPolarHBondContact O-CB 3.04Å; T177-F181 PolarHBondContact O-N 3.06Å; T177-C272 HydrophobicContact CG2-CB 4.15Å
178V95.3Very high94.6Very high0 Ų040 Ų400%018%0.178CC..Hα-helixtrans-70.2-38.9177.4179.80000110.9S175 F181 L182 M207 I237 C272S175-V178 PolarHBondContact O-N 3.33Å; S175-V178 PolarHBondContact OG-N 3.39Å; V178-F181 WeakPolarHBondContact O-CB 3.43Å; V178-F181 PolarHBondContact O-N 3.16Å; V178-L182 HydrophobicContact CG1-CD1 3.82Å; V178-L182 HydrophobicContact CG1-CG 4.2Å; V178-L182 WeakPolarHBondContact O-CB 3.43Å; V178-L182 VanDerWaalsContact O-CG 3.3Å; V178-L182 WeakPolarHBondContact O-CG 3.38Å; V178-L182 PolarHBondContact O-N 3.02Å; V178-M207 HydrophobicContact CB-CE 4.18Å; V178-M207 HydrophobicContact CG1-CE 3.81Å; V178-I237 HydrophobicContact CG1-CG2 3.86Å; V178-I237 HydrophobicContact CG2-CG2 4.35Å; V178-C272 HydrophobicContact CG2-CB 4Å
179E94.6Very high94.5Very high18 Ų1841.7 Ų41.78%0.08418%0.181CC..Hα-helixtrans-58.6-49174.2-168.7-163.1131.300111S175 R176 F181 L182 R183 M207 N210 L211S175-E179 WeakPolarHBondContact O-CB 3.39Å; S175-E179 PolarHBondContact O-N 3.46Å; R176-E179 PolarHBondContact O-N 3.45Å; E179-F181 PolarHBondContact O-N 2.99Å; E179-L182 PolarHBondContact O-N 3.24Å; E179-R183 HydrophobicContact CG-CG 4.48Å; E179-R183 VanDerWaalsContact O-CB 3.3Å; E179-R183 WeakPolarHBondContact O-CB 3.4Å; E179-R183 WeakPolarHBondContact O-CG 3.49Å; E179-R183 PolarHBondContact O-N 3.06Å; E179-R183 IonicContact OE1-NH1 3.74Å; E179-R183 PolarHBondContact OE1-NH1 3.3Å; E179-M207 HydrophobicContact CB-CE 4.49Å; E179-N210 HydrophobicContact CG-CB 4.5Å; E179-N210 PolarHBondContact OE2-ND2 3.25Å; E179-L211 HydrophobicContact CG-CD2 4.09Å
180A94.5Very high94.4Very high27 Ų2749.7 Ų49.722%0.22322%0.215CC..Hα-helixtrans-61.3-42.7176.700000112.1T152 R176 T177 R183 D184T152-A180 HydrophobicContact CG2-CB 3.66Å; R176-A180 WeakPolarHBondContact O-CB 3.42Å; R176-A180 PolarHBondContact O-N 3.4Å; T177-A180 PolarHBondContact O-N 2.96Å; A180-R183 PolarHBondContact O-N 3.12Å; A180-D184 PolarHBondContact O-N 3.48Å
181F96.3Very high94.3Very high0 Ų050 Ų500%022%0.217CC..Hα-helixtrans-59.1-49176.9-173.1-92.4000112.4I155 A159 H162 I163 T177 V178 E179 D184 A185 I237 I329I155-F181 HydrophobicContact CG2-CD2 3.89Å; I155-F181 HydrophobicContact CG2-CE2 4.48Å; I155-F181 VanDerWaalsContact O-CD2 3.25Å; I155-F181 WeakPolarHBondContact O-CD2 3.31Å; I155-F181 WeakPolarHBondContact O-CE2 3.35Å; A159-F181 HydrophobicContact CB-CD1 3.82Å; A159-F181 HydrophobicContact CB-CD2 3.57Å; A159-F181 HydrophobicContact CB-CE1 3.8Å; A159-F181 HydrophobicContact CB-CE2 3.57Å; A159-F181 HydrophobicContact CB-CG 3.72Å; A159-F181 HydrophobicContact CB-CZ 3.71Å; A159-F181 WeakPolarHBondContact CB-O 3.39Å; H162-F181 HydrophobicContact CB-CZ 4.21Å; I163-F181 HydrophobicContact CD1-CD1 3.76Å; I163-F181 HydrophobicContact CD1-CE1 3.53Å; I163-F181 HydrophobicContact CG1-CE1 4.02Å; T177-F181 VanDerWaalsContact O-CB 3.29Å; T177-F181 WeakPolarHBondContact O-CB 3.04Å; T177-F181 PolarHBondContact O-N 3.06Å; V178-F181 WeakPolarHBondContact O-CB 3.43Å; V178-F181 PolarHBondContact O-N 3.16Å; E179-F181 PolarHBondContact O-N 2.99Å; F181-D184 PolarHBondContact O-N 2.91Å; F181-A185 PolarHBondContact O-N 3.08Å; F181-I237 HydrophobicContact CD1-CD1 4.39Å; F181-I237 HydrophobicContact CE1-CD1 3.91Å; F181-I329 HydrophobicContact CE2-CD1 3.89Å; F181-I329 HydrophobicContact CE2-CG2 4.17Å; F181-I329 HydrophobicContact CZ-CD1 3.64Å
182L96.2Very high94.3Very high0 Ų053.5 Ų53.50%023%0.233CC..Hα-helixtrans-67.3-39.9177.9-65.8169.6000111.4I163 I169 V178 E179 D184 A185 A186 F191 V193 M207 L211 I216 I237I163-L182 HydrophobicContact CD1-CD2 3.74Å; I169-L182 HydrophobicContact CD1-CD2 3.88Å; I169-L182 HydrophobicContact CG2-CD2 4.22Å; V178-L182 HydrophobicContact CG1-CD1 3.82Å; V178-L182 HydrophobicContact CG1-CG 4.2Å; V178-L182 WeakPolarHBondContact O-CB 3.43Å; V178-L182 VanDerWaalsContact O-CG 3.3Å; V178-L182 WeakPolarHBondContact O-CG 3.38Å; V178-L182 PolarHBondContact O-N 3.02Å; E179-L182 PolarHBondContact O-N 3.24Å; L182-D184 VanDerWaalsContact C-N 3.34Å; L182-D184 PolarHBondContact O-N 3.25Å; L182-A185 PolarHBondContact O-N 2.82Å; L182-A186 WeakPolarHBondContact O-CB 3.3Å; L182-A186 PolarHBondContact O-N 2.92Å; L182-F191 HydrophobicContact CB-CZ 4.44Å; L182-F191 HydrophobicContact CD2-CE2 3.9Å; L182-F191 HydrophobicContact CD2-CZ 4.28Å; L182-F191 WeakPolarHBondContact O-CZ 3.33Å; L182-V193 HydrophobicContact CD1-CG1 4.15Å; L182-V193 HydrophobicContact CD1-CG2 4.39Å; L182-V193 HydrophobicContact CD2-CG2 4.33Å; L182-M207 HydrophobicContact CD1-CE 3.98Å; L182-L211 HydrophobicContact CB-CD2 3.93Å; L182-L211 HydrophobicContact CD1-CD1 4.06Å; L182-L211 HydrophobicContact CD1-CD2 4.27Å; L182-I216 HydrophobicContact CB-CD1 4.4Å; L182-I237 HydrophobicContact CD2-CD1 4.4Å
183R95.3Very high94.5Very high114 Ų11453.3 Ų53.343%0.4323%0.232SC..Hα-helixtrans-63.7-37.2178.4-76.4176.363.3-166.2-5.2112.8E179 A180 L211 A214E179-R183 HydrophobicContact CG-CG 4.48Å; E179-R183 VanDerWaalsContact O-CB 3.3Å; E179-R183 WeakPolarHBondContact O-CB 3.4Å; E179-R183 WeakPolarHBondContact O-CG 3.49Å; E179-R183 PolarHBondContact O-N 3.06Å; E179-R183 IonicContact OE1-NH1 3.74Å; E179-R183 PolarHBondContact OE1-NH1 3.3Å; A180-R183 PolarHBondContact O-N 3.12Å; R183-L211 HydrophobicContact CG-CD2 4.12Å; R183-A214 HydrophobicContact CG-CB 3.95Å
184D95.1Very high94.8Very high36 Ų3654.1 Ų54.119%0.19324%0.236CC..Hα-helixtrans-71.6-42.7178.3-160.458.8000111.8A180 F181 L182 A186 R187A180-D184 PolarHBondContact O-N 3.48Å; F181-D184 PolarHBondContact O-N 2.91Å; L182-D184 VanDerWaalsContact C-N 3.34Å; L182-D184 PolarHBondContact O-N 3.25Å; D184-A186 VanDerWaalsContact C-N 3.28Å; D184-A186 PolarHBondContact O-N 3.1Å; D184-R187 WeakPolarHBondContact O-CB 3.18Å; D184-R187 PolarHBondContact O-N 2.75Å; D184-R187 IonicContact OD1-CZ 2.88Å; D184-R187 IonicContact OD1-NE 3.18Å
185A95.1Very high95Very high0 Ų050.7 Ų50.70%022%0.223CC..Hα-helixtrans-59.4-38.5173.400000112.7A159 I163 F181 L182 R187 K188 R189 F191A159-A185 HydrophobicContact CB-CB 3.94Å; I163-A185 HydrophobicContact CB-CB 4.02Å; I163-A185 HydrophobicContact CD1-CB 3.6Å; I163-A185 HydrophobicContact CG1-CB 4.38Å; I163-A185 HydrophobicContact CG2-CB 4.12Å; F181-A185 PolarHBondContact O-N 3.08Å; L182-A185 PolarHBondContact O-N 2.82Å; A185-R187 PolarHBondContact O-N 3.37Å; A185-K188 PolarHBondContact O-N 3.01Å; A185-R189 PolarHBondContact O-N 3.17Å; A185-F191 HydrophobicContact CB-CE1 3.93Å; A185-F191 HydrophobicContact CB-CZ 4.22Å
186A94.6Very high95.2Very high26 Ų2650 Ų5022%0.21522%0.218CC..Hα-helixtrans-64.4-20.8-178.800000114.1L182 D184 K188 R189 F191 I216L182-A186 WeakPolarHBondContact O-CB 3.3Å; L182-A186 PolarHBondContact O-N 2.92Å; D184-A186 VanDerWaalsContact C-N 3.28Å; D184-A186 PolarHBondContact O-N 3.1Å; A186-K188 PolarHBondContact O-N 3.01Å; A186-R189 WeakPolarHBondContact CA-O 3.4Å; A186-F191 HydrophobicContact CB-CE1 4.06Å; A186-F191 HydrophobicContact CB-CZ 4.13Å; A186-I216 HydrophobicContact CB-CD1 3.53Å; A186-I216 HydrophobicContact CB-CG1 3.38Å
187R93.5Very high95.3Very high193 Ų19345.7 Ų45.773%0.72820%0.204SC*.THydrogen-bonded Turntrans-63.7-29.8176.5-61.9-178.3-175.1-159.17112.4D184 A185D184-R187 WeakPolarHBondContact O-CB 3.18Å; D184-R187 PolarHBondContact O-N 2.75Å; D184-R187 IonicContact OD1-CZ 2.88Å; D184-R187 IonicContact OD1-NE 3.18Å; A185-R187 PolarHBondContact O-N 3.37Å
188K93.6Very high95.1Very high161 Ų16145.7 Ų45.770%0.720%0.204SC*.THydrogen-bonded Turntrans-114.8-25-176-61.3-174-172.2169.80113.5L160 A185 A186L160-K188 HydrophobicContact CD1-CD 3.73Å; L160-K188 VanDerWaalsContact CD1-NZ 3.3Å; L160-K188 HydrophobicContact CD2-CB 3.98Å; L160-K188 HydrophobicContact CD2-CD 3.86Å; L160-K188 HydrophobicContact CD2-CG 4.24Å; L160-K188 HydrophobicContact CG-CD 4.49Å; A185-K188 PolarHBondContact O-N 3.01Å; A186-K188 PolarHBondContact O-N 3.01Å
189R94.1Very high94.7Very high67 Ų6747.7 Ų47.725%0.25322%0.221SC..  trans-128.7145.9-172.4-62.1-179.5-178.3-177.47.5110.6L160 I163 H164 A185 A186 F191L160-R189 PolarHBondContact O-NH1 2.72Å; L160-R189 PolarHBondContact O-NH2 3.27Å; I163-R189 WeakPolarHBondContact O-CD 3.46Å; I163-R189 PolarHBondContact O-NH1 2.81Å; H164-R189 PolarHBondContact CD2-NH1 3.24Å; H164-R189 VanDerWaalsContact CD2-NH1 3.29Å; A185-R189 PolarHBondContact O-N 3.17Å; A186-R189 WeakPolarHBondContact CA-O 3.4Å; R189-F191 HydrophobicContact CB-CD1 4.42Å
190K95.4Very high94Very high168 Ų16848.4 Ų48.473%0.7323%0.227SC*.  trans-103.1129.4173.3-65.6-172.4176.2-1720109.3S165 N166S165-K190 CarbonylContact C-O 3.45Å; S165-K190 VanDerWaalsContact CA-O 3.29Å; S165-K190 WeakPolarHBondContact CA-O 3.33Å; N166-K190 PolarHBondContact N-O 3.22Å
191F96.7Very high93.5Very high7 Ų750.4 Ų50.43%0.03123%0.231CC..  trans-154.5168.2-178.356.8-91.4000109.5I163 E167 I169 L182 A185 A186 R189 V193 I216I163-F191 HydrophobicContact CG2-CD1 3.57Å; I163-F191 HydrophobicContact CG2-CD2 4.36Å; I163-F191 HydrophobicContact CG2-CE1 3.73Å; I163-F191 HydrophobicContact CG2-CE2 4.49Å; I163-F191 HydrophobicContact CG2-CG 3.92Å; I163-F191 HydrophobicContact CG2-CZ 4.2Å; E167-F191 WeakPolarHBondContact O-CB 3.47Å; I169-F191 HydrophobicContact CD1-CD2 3.78Å; I169-F191 HydrophobicContact CD1-CE2 3.97Å; I169-F191 HydrophobicContact CD1-CG 4.43Å; L182-F191 HydrophobicContact CB-CZ 4.44Å; L182-F191 HydrophobicContact CD2-CE2 3.9Å; L182-F191 HydrophobicContact CD2-CZ 4.28Å; L182-F191 WeakPolarHBondContact O-CZ 3.33Å; A185-F191 HydrophobicContact CB-CE1 3.93Å; A185-F191 HydrophobicContact CB-CZ 4.22Å; A186-F191 HydrophobicContact CB-CE1 4.06Å; A186-F191 HydrophobicContact CB-CZ 4.13Å; R189-F191 HydrophobicContact CB-CD1 4.42Å; F191-V193 HydrophobicContact CD2-CG2 3.64Å; F191-V193 HydrophobicContact CE2-CG2 3.39Å; F191-I216 HydrophobicContact CD2-CG2 4.36Å; F191-I216 HydrophobicContact CE2-CG2 3.99Å; F191-I216 HydrophobicContact CZ-CD1 4.33Å
192H96.9Very high93.1Very high73 Ų7352.3 Ų52.334%0.33824%0.244SC..EExtended strand (participates in β ladder)trans-107.5139.1-178.6-57.976.7000109.9E167 V168 I169 E217E167-H192 PolarHBondContact O-N 2.87Å; V168-H192 HydrophobicContact CG2-CB 4.46Å; I169-H192 PolarHBondContact N-O 3.37Å; H192-E217 WeakPolarHBondContact CA-O 3.41Å; H192-E217 IonicContact CD2-OE2 3.79Å; H192-E217 PolarHBondContact CD2-OE2 3.27Å; H192-E217 IonicContact CE1-OE2 3.6Å; H192-E217 IonicContact NE2-OE2 3.17Å; H192-E217 PolarHBondContact NE2-OE2 3.2Å
193V97.6Very high92.6Very high1 Ų155.4 Ų55.41%0.00626%0.258CS..EExtended strand (participates in β ladder)trans-122.1125.1178.3-175.60000110.6I169 T171 L182 F191 V195 L211 I216 E217 T218 T219I169-V193 HydrophobicContact CB-CG2 4.47Å; I169-V193 CarbonylContact O-C 3.52Å; I169-V193 WeakPolarHBondContact O-CA 2.98Å; T171-V193 HydrophobicContact CG2-CG1 3.86Å; L182-V193 HydrophobicContact CD1-CG1 4.15Å; L182-V193 HydrophobicContact CD1-CG2 4.39Å; L182-V193 HydrophobicContact CD2-CG2 4.33Å; F191-V193 HydrophobicContact CD2-CG2 3.64Å; F191-V193 HydrophobicContact CE2-CG2 3.39Å; V193-V195 HydrophobicContact CG1-CG2 3.95Å; V193-L211 HydrophobicContact CG1-CD1 4.2Å; V193-I216 HydrophobicContact CB-CG2 4.3Å; V193-I216 HydrophobicContact CG2-CG2 3.62Å; V193-E217 PolarHBondContact N-O 2.76Å; V193-T218 HydrophobicContact CB-CG2 4.2Å; V193-T218 CarbonylContact O-C 3.59Å; V193-T218 VanDerWaalsContact O-CA 3.27Å; V193-T218 WeakPolarHBondContact O-CA 3.26Å; V193-T219 PolarHBondContact O-N 3.01Å
194I97.6Very high92.4Very high17 Ų1750 Ų509%0.08724%0.238CC..EExtended strand (participates in β ladder)trans-99.8118.3173.3-54.2-174.3000107.7V168 I169 M170 T171 T219 I221 V229 V233V168-I194 HydrophobicContact CG1-CD1 3.59Å; V168-I194 HydrophobicContact CG1-CG1 3.95Å; I169-I194 PolarHBondContact O-N 3.2Å; M170-I194 CarbonylContact C-O 3.57Å; M170-I194 WeakPolarHBondContact CA-O 3.16Å; M170-I194 HydrophobicContact CG-CB 4.5Å; T171-I194 PolarHBondContact N-O 2.8Å; I194-T219 CarbonylContact C-O 3.58Å; I194-T219 WeakPolarHBondContact CA-O 3.42Å; I194-I221 HydrophobicContact CG2-CD1 3.74Å; I194-I221 HydrophobicContact CG2-CG1 3.92Å; I194-I221 HydrophobicContact CG2-CG2 3.85Å; I194-V229 HydrophobicContact CD1-CG1 3.41Å; I194-V229 VanDerWaalsContact CD1-CG1 3.41Å; I194-V229 HydrophobicContact CG2-CG1 4.36Å; I194-V233 HydrophobicContact CD1-CG2 4.31Å
195V96.9Very high92.3Very high0 Ų052.4 Ų52.40%025%0.248CC..EExtended strand (participates in β ladder)trans-108.1112.9-178.2-174.30000108.5T171 V193 A208 L211 T219 V220 I221T171-V195 HydrophobicContact CG2-CB 4.18Å; T171-V195 HydrophobicContact CG2-CG1 4.18Å; T171-V195 HydrophobicContact CG2-CG2 3.74Å; V193-V195 HydrophobicContact CG1-CG2 3.95Å; V195-A208 HydrophobicContact CB-CB 4.3Å; V195-A208 HydrophobicContact CG1-CB 4.46Å; V195-A208 HydrophobicContact CG2-CB 4.16Å; V195-L211 HydrophobicContact CG2-CD1 4.28Å; V195-T219 PolarHBondContact N-O 3.41Å; V195-V220 WeakPolarHBondContact O-CA 3.42Å; V195-I221 PolarHBondContact O-N 3.28Å
196A95.9Very high92.2Very high0 Ų056.7 Ų56.70%027%0.268CS..EExtended strand (participates in β ladder)trans-75.7131.1167.200000109.5M170 T171 I172 G173 C198 I221 I226M170-A196 HydrophobicContact CE-CB 4.38Å; T171-A196 PolarHBondContact O-N 3.09Å; I172-A196 HydrophobicContact CB-CB 4.23Å; I172-A196 HydrophobicContact CG1-CB 4.03Å; G173-A196 PolarHBondContact N-O 2.66Å; A196-C198 VanDerWaalsContact C-N 3.32Å; A196-C198 PolarHBondContact O-N 3.41Å; A196-I221 HydrophobicContact CB-CG1 4.19Å; A196-I226 HydrophobicContact CB-CD1 4.05Å; A196-I226 HydrophobicContact CB-CG1 4.08Å
197E91.9Very high92.1Very high38 Ų3855.5 Ų55.518%0.17826%0.258CS..  trans-70.5-21.7-16866.5-170168.300115C202 Q203 G204 H205 V220 I221 A222 D223E197-C202 CarbonylContact O-C 3.58Å; E197-C202 VanDerWaalsContact O-C 3.27Å; E197-C202 VanDerWaalsContact O-CA 3.29Å; E197-C202 WeakPolarHBondContact O-CA 3.5Å; E197-Q203 PolarHBondContact O-N 3.45Å; E197-G204 PolarHBondContact O-N 3.39Å; E197-H205 IonicContact OE2-CD2 2.9Å; E197-H205 IonicContact OE2-CE1 3.95Å; E197-H205 IonicContact OE2-NE2 3.89Å; E197-H205 PolarHBondContact OE2-NE2 2.86Å; E197-V220 HydrophobicContact CB-CG1 4.39Å; E197-I221 PolarHBondContact N-O 2.97Å; E197-I221 VanDerWaalsContact N-O 3.11Å; E197-A222 WeakPolarHBondContact OE1-CA 3.45Å; E197-D223 PolarHBondContact N-OD1 2.66Å
198C89.6Confident92.2Very high13 Ų1346.5 Ų46.59%0.08823%0.225CC..  trans60.768.9-174.3-172.30000111.5I172 A196 F201 C202 D223 N253I172-C198 HydrophobicContact CG1-CB 4.24Å; A196-C198 VanDerWaalsContact C-N 3.32Å; A196-C198 PolarHBondContact O-N 3.41Å; C198-F201 PolarHBondContact O-N 3.06Å; C198-C202 PolarHBondContact O-N 3.2Å; C198-C202 VanDerWaalsContact O-N 3.15Å; C198-D223 WeakPolarHBondContact CA-OD2 3.5Å; C198-D223 PolarHBondContact N-OD1 3.38Å; C198-D223 PolarHBondContact N-OD2 3Å; C198-N253 PolarHBondContact SG-O 3.24Å
199A86.9Confident92.3Very high43 Ų4342.2 Ų42.236%0.35521%0.212SC..THydrogen-bonded Turntrans-60.2140.516900000109.6D223A199-D223 PolarHBondContact N-OD2 3.22Å
200P81.1Confident92.4Very high33 Ų3340.8 Ų40.821%0.21421%0.21CC..THydrogen-bonded Turncis-93.4-15.51734.5-35.5000115.8C202 E297 V298P200-C202 PolarHBondContact O-N 3.16Å; P200-E297 HydrophobicContact CB-CB 3.97Å; P200-E297 WeakPolarHBondContact CB-O 3.42Å; P200-E297 HydrophobicContact CG-CB 3.99Å; P200-V298 HydrophobicContact CB-CG2 4.09Å; P200-V298 HydrophobicContact CG-CG2 3.93Å
201F82.7Confident92.4Very high68 Ų6832.8 Ų32.830%0.29818%0.175SC..THydrogen-bonded Turntrans-81.8-11-172.6-56.8-84000114.5C198 Q203 V293 E297 V316C198-F201 PolarHBondContact O-N 3.06Å; F201-Q203 HydrophobicContact CB-CG 3.91Å; F201-Q203 PolarHBondContact O-N 3.24Å; F201-V293 HydrophobicContact CZ-CG2 3.98Å; F201-E297 HydrophobicContact CD1-CG 3.9Å; F201-E297 HydrophobicContact CE1-CB 4.25Å; F201-E297 HydrophobicContact CE1-CG 3.53Å; F201-E297 HydrophobicContact CZ-CG 4.21Å; F201-V316 HydrophobicContact CE2-CG2 4.2Å; F201-V316 HydrophobicContact CZ-CG2 4.41Å
202C87.6Confident92.4Very high40 Ų4036 Ų3627%0.2720%0.198SC..THydrogen-bonded Turntrans50.233.1178.2-61.90000114.7E197 C198 P200 G204 H205E197-C202 CarbonylContact O-C 3.58Å; E197-C202 VanDerWaalsContact O-C 3.27Å; E197-C202 VanDerWaalsContact O-CA 3.29Å; E197-C202 WeakPolarHBondContact O-CA 3.5Å; C198-C202 PolarHBondContact O-N 3.2Å; C198-C202 VanDerWaalsContact O-N 3.15Å; P200-C202 PolarHBondContact O-N 3.16Å; C202-G204 PolarHBondContact O-N 3.32Å; C202-G204 VanDerWaalsContact O-N 3.09Å; C202-H205 PolarHBondContact O-N 3.28Å; C202-H205 VanDerWaalsContact O-N 3.14Å
203Q87.1Confident92.3Very high66 Ų6640.2 Ų40.231%0.30822%0.215SC..THydrogen-bonded Turntrans-63.2-20.8-176.2-64.9-177.37.700113R174 E197 F201 H205 E206R174-Q203 HydrophobicContact CB-CB 3.98Å; E197-Q203 PolarHBondContact O-N 3.45Å; F201-Q203 HydrophobicContact CB-CG 3.91Å; F201-Q203 PolarHBondContact O-N 3.24Å; Q203-H205 PolarHBondContact O-N 3.13Å; Q203-E206 PolarHBondContact O-N 3.47Å
204G90.8Very high92.1Very high0 Ų042.3 Ų42.30%023%0.233CC..Hα-helixtrans-62.7-22.6176.300000114G173 E197 C202 E206 M207 A208G173-G204 WeakPolarHBondContact O-CA 3.27Å; E197-G204 PolarHBondContact O-N 3.39Å; C202-G204 PolarHBondContact O-N 3.32Å; C202-G204 VanDerWaalsContact O-N 3.09Å; G204-E206 VanDerWaalsContact C-N 3.33Å; G204-E206 PolarHBondContact O-N 2.7Å; G204-M207 PolarHBondContact O-N 3.12Å; G204-A208 WeakPolarHBondContact O-CB 3.45Å; G204-A208 PolarHBondContact O-N 2.86Å
205H93.8Very high91.9Very high86 Ų8644.8 Ų44.840%0.39826%0.263SS..Hα-helixtrans-63-39.7177.6-65.8-173.5000112E197 C202 Q203 A208 T209E197-H205 IonicContact OE2-CD2 2.9Å; E197-H205 IonicContact OE2-CE1 3.95Å; E197-H205 IonicContact OE2-NE2 3.89Å; E197-H205 PolarHBondContact OE2-NE2 2.86Å; C202-H205 PolarHBondContact O-N 3.28Å; C202-H205 VanDerWaalsContact O-N 3.14Å; Q203-H205 PolarHBondContact O-N 3.13Å; H205-A208 PolarHBondContact O-N 3.47Å; H205-T209 WeakPolarHBondContact O-CB 3.47Å; H205-T209 PolarHBondContact O-N 3.24Å; H205-T209 PolarHBondContact O-OG1 3.35Å
206E92.3Very high91.9Very high91 Ų9145.3 Ų45.343%0.42527%0.265SS..Hα-helixtrans-67.1-42.5177.7-168.7-177.2160.300110.9R174 Q203 G204 T209 N210R174-E206 IonicContact CZ-OE1 3.91Å; R174-E206 IonicContact CZ-OE2 2.65Å; R174-E206 VanDerWaalsContact CZ-OE2 3.23Å; R174-E206 IonicContact NE-OE1 2.73Å; R174-E206 IonicContact NE-OE2 2.74Å; R174-E206 IonicContact NH1-OE1 3.55Å; R174-E206 PolarHBondContact NH1-OE1 3.38Å; R174-E206 IonicContact NH1-OE2 3.84Å; R174-E206 PolarHBondContact NH1-OE2 3.31Å; R174-E206 IonicContact NH2-OE1 3.44Å; R174-E206 PolarHBondContact NH2-OE1 2.77Å; R174-E206 IonicContact NH2-OE2 3.6Å; Q203-E206 PolarHBondContact O-N 3.47Å; G204-E206 VanDerWaalsContact C-N 3.33Å; G204-E206 PolarHBondContact O-N 2.7Å; E206-T209 PolarHBondContact O-N 2.98Å; E206-N210 VanDerWaalsContact O-CG 3.29Å; E206-N210 PolarHBondContact O-N 3.3Å
207M92.9Very high91.9Very high0 Ų050.9 Ų50.90%029%0.291CS..Hα-helixtrans-62.3-46.2175.8-176.7168.8169.100111.5T171 G173 R174 V178 E179 L182 G204 T209 N210 L211T171-M207 HydrophobicContact CG2-CE 3.86Å; G173-M207 VanDerWaalsContact O-SD 3.34Å; R174-M207 HydrophobicContact CB-CB 4.41Å; R174-M207 HydrophobicContact CG-CB 4.28Å; V178-M207 HydrophobicContact CB-CE 4.18Å; V178-M207 HydrophobicContact CG1-CE 3.81Å; E179-M207 HydrophobicContact CB-CE 4.49Å; L182-M207 HydrophobicContact CD1-CE 3.98Å; G204-M207 PolarHBondContact O-N 3.12Å; M207-T209 VanDerWaalsContact C-N 3.3Å; M207-T209 PolarHBondContact O-N 3.49Å; M207-N210 PolarHBondContact O-N 3.32Å; M207-L211 HydrophobicContact CE-CD1 4.02Å; M207-L211 HydrophobicContact CG-CD1 4.05Å; M207-L211 HydrophobicContact CG-CG 4.41Å; M207-L211 VanDerWaalsContact O-CG 3.31Å; M207-L211 WeakPolarHBondContact O-CG 3.31Å; M207-L211 PolarHBondContact O-N 2.97Å
208A95.3Very high92.1Very high5 Ų550.8 Ų50.84%0.04129%0.293CS..Hα-helixtrans-61.1-39.6177.700000112.2V195 G204 H205 L211 S212 T218 V220V195-A208 HydrophobicContact CB-CB 4.3Å; V195-A208 HydrophobicContact CG1-CB 4.46Å; V195-A208 HydrophobicContact CG2-CB 4.16Å; G204-A208 WeakPolarHBondContact O-CB 3.45Å; G204-A208 PolarHBondContact O-N 2.86Å; H205-A208 PolarHBondContact O-N 3.47Å; A208-L211 PolarHBondContact O-N 3.2Å; A208-S212 WeakPolarHBondContact O-CB 3.09Å; A208-S212 PolarHBondContact O-N 2.96Å; A208-T218 PolarHBondContact O-OG1 3.16Å; A208-V220 HydrophobicContact CB-CG2 3.35Å
209T95.8Very high92.4Very high70 Ų7053.8 Ų53.843%0.42931%0.311SS..Hα-helixtrans-63-44.4174.6-58.10000111.4H205 E206 M207 S212 K213H205-T209 WeakPolarHBondContact O-CB 3.47Å; H205-T209 PolarHBondContact O-N 3.24Å; H205-T209 PolarHBondContact O-OG1 3.35Å; E206-T209 PolarHBondContact O-N 2.98Å; M207-T209 VanDerWaalsContact C-N 3.3Å; M207-T209 PolarHBondContact O-N 3.49Å; T209-S212 PolarHBondContact O-N 2.94Å; T209-K213 WeakPolarHBondContact O-CG 3.34Å; T209-K213 PolarHBondContact O-N 3.46Å
210N95.4Very high92.9Very high38 Ų3854.8 Ų54.820%0.20331%0.313CS..Hα-helixtrans-66-39.8178.5-70.5-13000112.4E179 E206 M207 K213 A214E179-N210 HydrophobicContact CG-CB 4.5Å; E179-N210 PolarHBondContact OE2-ND2 3.25Å; E206-N210 VanDerWaalsContact O-CG 3.29Å; E206-N210 PolarHBondContact O-N 3.3Å; M207-N210 PolarHBondContact O-N 3.32Å; N210-K213 PolarHBondContact O-N 2.92Å; N210-A214 PolarHBondContact O-N 3.03Å
211L95.6Very high93.6Very high0 Ų054.1 Ų54.10%031%0.308CS..Hα-helixtrans-68.6-39.1176.3-68.2174000112.1E179 L182 R183 V193 V195 M207 A208 K213 A214 G215 I216 T218E179-L211 HydrophobicContact CG-CD2 4.09Å; L182-L211 HydrophobicContact CB-CD2 3.93Å; L182-L211 HydrophobicContact CD1-CD1 4.06Å; L182-L211 HydrophobicContact CD1-CD2 4.27Å; R183-L211 HydrophobicContact CG-CD2 4.12Å; V193-L211 HydrophobicContact CG1-CD1 4.2Å; V195-L211 HydrophobicContact CG2-CD1 4.28Å; M207-L211 HydrophobicContact CE-CD1 4.02Å; M207-L211 HydrophobicContact CG-CD1 4.05Å; M207-L211 HydrophobicContact CG-CG 4.41Å; M207-L211 VanDerWaalsContact O-CG 3.31Å; M207-L211 WeakPolarHBondContact O-CG 3.31Å; M207-L211 PolarHBondContact O-N 2.97Å; A208-L211 PolarHBondContact O-N 3.2Å; L211-K213 PolarHBondContact O-N 3.01Å; L211-A214 CarbonylContact O-C 3.48Å; L211-A214 WeakPolarHBondContact O-CA 3.38Å; L211-A214 WeakPolarHBondContact O-CB 3.4Å; L211-A214 PolarHBondContact O-N 3.44Å; L211-G215 PolarHBondContact O-N 3.35Å; L211-I216 HydrophobicContact CB-CB 4.49Å; L211-I216 HydrophobicContact CB-CD1 4.35Å; L211-I216 HydrophobicContact CD2-CD1 3.68Å; L211-I216 PolarHBondContact O-N 3.01Å; L211-T218 HydrophobicContact CB-CG2 3.42Å; L211-T218 VanDerWaalsContact CB-CG2 3.42Å; L211-T218 HydrophobicContact CD1-CG2 4.08Å; L211-T218 HydrophobicContact CG-CG2 4.41Å
212S95.9Very high94.2Very high73 Ų7353.1 Ų53.151%0.5131%0.311SS..Hα-helixtrans-62.5-42174.9-178.20000111.5A208 T209 A214 G215A208-S212 WeakPolarHBondContact O-CB 3.09Å; A208-S212 PolarHBondContact O-N 2.96Å; T209-S212 PolarHBondContact O-N 2.94Å; S212-A214 PolarHBondContact O-N 3.42Å; S212-G215 PolarHBondContact O-N 3.44Å
213K95.8Very high94.4Very high162 Ų16252.7 Ų52.770%0.70431%0.307SS*.Hα-helixtrans-60.1-28.6172.2-73.1171.4-177.5171.20113.1T209 N210 L211 G215T209-K213 WeakPolarHBondContact O-CG 3.34Å; T209-K213 PolarHBondContact O-N 3.46Å; N210-K213 PolarHBondContact O-N 2.92Å; L211-K213 PolarHBondContact O-N 3.01Å; K213-G215 PolarHBondContact O-N 3.49Å
214A93.6Very high94.8Very high45 Ų4554.4 Ų54.437%0.37233%0.332SS..THydrogen-bonded Turntrans-81.91.4175.600000113.5R183 N210 L211 S212 I216R183-A214 HydrophobicContact CG-CB 3.95Å; N210-A214 PolarHBondContact O-N 3.03Å; L211-A214 CarbonylContact O-C 3.48Å; L211-A214 WeakPolarHBondContact O-CA 3.38Å; L211-A214 WeakPolarHBondContact O-CB 3.4Å; L211-A214 PolarHBondContact O-N 3.44Å; S212-A214 PolarHBondContact O-N 3.42Å; A214-I216 HydrophobicContact CB-CD1 4.48Å
215G93.3Very high95Very high70 Ų7056 Ų5672%0.72235%0.345SS*.THydrogen-bonded Turntrans81.618.6178.200000114.6L211 S212 K213L211-G215 PolarHBondContact O-N 3.35Å; S212-G215 PolarHBondContact O-N 3.44Å; K213-G215 PolarHBondContact O-N 3.49Å
216I95.6Very high95.1Very high10 Ų1052.1 Ų52.15%0.05133%0.327CS..  trans-90.4135.7175.5-58.1165.5000108.8L182 A186 F191 V193 L211 A214 T218L182-I216 HydrophobicContact CB-CD1 4.4Å; A186-I216 HydrophobicContact CB-CD1 3.53Å; A186-I216 HydrophobicContact CB-CG1 3.38Å; F191-I216 HydrophobicContact CD2-CG2 4.36Å; F191-I216 HydrophobicContact CE2-CG2 3.99Å; F191-I216 HydrophobicContact CZ-CD1 4.33Å; V193-I216 HydrophobicContact CB-CG2 4.3Å; V193-I216 HydrophobicContact CG2-CG2 3.62Å; L211-I216 HydrophobicContact CB-CB 4.49Å; L211-I216 HydrophobicContact CB-CD1 4.35Å; L211-I216 HydrophobicContact CD2-CD1 3.68Å; L211-I216 PolarHBondContact O-N 3.01Å; A214-I216 HydrophobicContact CB-CD1 4.48Å; I216-T218 HydrophobicContact CB-CG2 4.28Å; I216-T218 HydrophobicContact CG2-CG2 4.08Å; I216-T218 PolarHBondContact O-N 2.91Å
217E95.9Very high95.3Very high117 Ų11753 Ų5355%0.54733%0.33SS..EExtended strand (participates in β ladder)trans-71.9101.8175.2-65.7-174.2-156.300109.5H192 V193H192-E217 WeakPolarHBondContact CA-O 3.41Å; H192-E217 IonicContact CD2-OE2 3.79Å; H192-E217 PolarHBondContact CD2-OE2 3.27Å; H192-E217 IonicContact CE1-OE2 3.6Å; H192-E217 IonicContact NE2-OE2 3.17Å; H192-E217 PolarHBondContact NE2-OE2 3.2Å; V193-E217 PolarHBondContact N-O 2.76Å
218T96.4Very high95.4Very high36 Ų3656.6 Ų56.622%0.22136%0.359CS..EExtended strand (participates in β ladder)trans-108.9137.2-176.458.40000112.6V193 A208 L211 I216V193-T218 HydrophobicContact CB-CG2 4.2Å; V193-T218 CarbonylContact O-C 3.59Å; V193-T218 VanDerWaalsContact O-CA 3.27Å; V193-T218 WeakPolarHBondContact O-CA 3.26Å; A208-T218 PolarHBondContact O-OG1 3.16Å; L211-T218 HydrophobicContact CB-CG2 3.42Å; L211-T218 VanDerWaalsContact CB-CG2 3.42Å; L211-T218 HydrophobicContact CD1-CG2 4.08Å; L211-T218 HydrophobicContact CG-CG2 4.41Å; I216-T218 HydrophobicContact CB-CG2 4.28Å; I216-T218 HydrophobicContact CG2-CG2 4.08Å; I216-T218 PolarHBondContact O-N 2.91Å
219T96.4Very high95.4Very high76 Ų7658.1 Ų58.147%0.46637%0.368SS..EExtended strand (participates in β ladder)trans-120.4127.1173.2-58.40000108.6V193 I194 V195 I221V193-T219 PolarHBondContact O-N 3.01Å; I194-T219 CarbonylContact C-O 3.58Å; I194-T219 WeakPolarHBondContact CA-O 3.42Å; V195-T219 PolarHBondContact N-O 3.41Å; T219-I221 HydrophobicContact CG2-CG2 4.22Å
220V96.6Very high95.4Very high64 Ų6454.8 Ų54.839%0.38835%0.348SS..EExtended strand (participates in β ladder)trans-93.1135.3174.5-178.60000109V195 E197 A208V195-V220 WeakPolarHBondContact O-CA 3.42Å; E197-V220 HydrophobicContact CB-CG1 4.39Å; A208-V220 HydrophobicContact CB-CG2 3.35Å
221I96.2Very high95.4Very high20 Ų2056.8 Ų56.810%0.10336%0.364CS..EExtended strand (participates in β ladder)trans-129.6154.9175.667.1166.9000110.9M170 I194 V195 A196 E197 T219 A225 I226M170-I221 HydrophobicContact CE-CD1 3.7Å; I194-I221 HydrophobicContact CG2-CD1 3.74Å; I194-I221 HydrophobicContact CG2-CG1 3.92Å; I194-I221 HydrophobicContact CG2-CG2 3.85Å; V195-I221 PolarHBondContact O-N 3.28Å; A196-I221 HydrophobicContact CB-CG1 4.19Å; E197-I221 PolarHBondContact N-O 2.97Å; E197-I221 VanDerWaalsContact N-O 3.11Å; T219-I221 HydrophobicContact CG2-CG2 4.22Å; I221-A225 HydrophobicContact CB-CB 4.41Å; I221-I226 HydrophobicContact CD1-CG1 4.32Å
222A95.4Very high95.4Very high46 Ų4666.2 Ų66.238%0.3840%0.4SS..  trans-73.2151.7166.700000110.7E197 A224 A225E197-A222 WeakPolarHBondContact OE1-CA 3.45Å; A222-A224 PolarHBondContact O-N 3.05Å; A222-A225 WeakPolarHBondContact O-CB 3.37Å; A222-A225 PolarHBondContact O-N 2.75Å
223D92.9Very high95.4Very high32 Ų3263.1 Ų63.117%0.17138%0.378CS..G310 helixtrans-62.9-28.9-177.5-59.6-24000112.5E197 C198 A199 A225 I226E197-D223 PolarHBondContact N-OD1 2.66Å; C198-D223 WeakPolarHBondContact CA-OD2 3.5Å; C198-D223 PolarHBondContact N-OD1 3.38Å; C198-D223 PolarHBondContact N-OD2 3Å; A199-D223 PolarHBondContact N-OD2 3.22Å; D223-A225 PolarHBondContact O-N 3.41Å; D223-I226 HydrophobicContact CB-CD1 4Å; D223-I226 WeakPolarHBondContact O-CB 3.27Å; D223-I226 VanDerWaalsContact O-CD1 3.26Å; D223-I226 WeakPolarHBondContact O-CD1 3.19Å; D223-I226 WeakPolarHBondContact O-CG1 3.48Å; D223-I226 PolarHBondContact O-N 3.06Å
224A94.2Very high95.5Very high102 Ų10259.1 Ų59.184%0.84337%0.365SS*.G310 helixtrans-65-23.7174.400000113.3A222 I226A222-A224 PolarHBondContact O-N 3.05Å; A224-I226 VanDerWaalsContact C-N 3.34Å
225A95Very high95.6Very high32 Ų3258.7 Ų58.726%0.26435%0.354SS..G310 helixtrans-86.4-3.3179.300000113.2I221 A222 D223 F227 A228 V229I221-A225 HydrophobicContact CB-CB 4.41Å; A222-A225 WeakPolarHBondContact O-CB 3.37Å; A222-A225 PolarHBondContact O-N 2.75Å; D223-A225 PolarHBondContact O-N 3.41Å; A225-F227 VanDerWaalsContact C-N 3.34Å; A225-F227 PolarHBondContact O-N 3.03Å; A225-A228 PolarHBondContact O-N 2.92Å; A225-V229 WeakPolarHBondContact O-CG2 3.02Å; A225-V229 PolarHBondContact O-N 2.97Å; A225-V229 VanDerWaalsContact O-N 3.1Å
226I95.9Very high95.9Very high5 Ų555.3 Ų55.33%0.02632%0.32CS..Hα-helixtrans-53.3-51.1-177.1-70.8170.4000111.1M170 I172 A196 I221 D223 A224 A228 V229 M230 L258 A261M170-I226 HydrophobicContact CE-CB 3.89Å; M170-I226 HydrophobicContact CE-CG1 3.59Å; M170-I226 HydrophobicContact CE-CG2 3.67Å; M170-I226 HydrophobicContact SD-CG2 4.48Å; I172-I226 HydrophobicContact CD1-CD1 4.39Å; A196-I226 HydrophobicContact CB-CD1 4.05Å; A196-I226 HydrophobicContact CB-CG1 4.08Å; I221-I226 HydrophobicContact CD1-CG1 4.32Å; D223-I226 HydrophobicContact CB-CD1 4Å; D223-I226 WeakPolarHBondContact O-CB 3.27Å; D223-I226 VanDerWaalsContact O-CD1 3.26Å; D223-I226 WeakPolarHBondContact O-CD1 3.19Å; D223-I226 WeakPolarHBondContact O-CG1 3.48Å; D223-I226 PolarHBondContact O-N 3.06Å; A224-I226 VanDerWaalsContact C-N 3.34Å; I226-A228 PolarHBondContact O-N 2.76Å; I226-V229 PolarHBondContact O-N 2.69Å; I226-M230 HydrophobicContact CG2-CE 4Å; I226-M230 WeakPolarHBondContact O-CB 3.37Å; I226-M230 PolarHBondContact O-N 3.01Å; I226-L258 HydrophobicContact CD1-CB 4.38Å; I226-L258 HydrophobicContact CD1-CD1 4.34Å; I226-L258 HydrophobicContact CG2-CB 4.12Å; I226-L258 HydrophobicContact CG2-CD1 4.46Å; I226-L258 HydrophobicContact CG2-CG 4.02Å; I226-A261 HydrophobicContact CG2-CB 4.3Å
227F96.2Very high95.9Very high111 Ų11154.9 Ų54.949%0.48732%0.317SS..Hα-helixtrans-66.5-37.8-177.2-165.9-92.4000112.6A225 V229 M230 A261 H264 H265A225-F227 VanDerWaalsContact C-N 3.34Å; A225-F227 PolarHBondContact O-N 3.03Å; F227-V229 PolarHBondContact O-N 3.48Å; F227-M230 PolarHBondContact O-N 3.38Å; F227-A261 HydrophobicContact CD2-CB 3.71Å; F227-A261 HydrophobicContact CE2-CB 4.39Å; F227-H264 HydrophobicContact CE2-CB 4.48Å; F227-H264 AromaticContact CZ-CE1 4Å; F227-H264 AromaticContact CZ-ND1 3.75Å; F227-H265 AromaticContact CZ-NE2 3.99Å
228A95.2Very high96Very high75 Ų7549.3 Ų49.362%0.6229%0.291SS*.Hα-helixtrans-66.2-38-179.500000112.3A225 I226A225-A228 PolarHBondContact O-N 2.92Å; I226-A228 PolarHBondContact O-N 2.76Å
229V96Very high95.8Very high37 Ų3748.1 Ų48.122%0.22429%0.287CS..Hα-helixtrans-86.2-20.6-177.1-177.50000112.4I194 A225 I226 F227 S231 R232I194-V229 HydrophobicContact CD1-CG1 3.41Å; I194-V229 VanDerWaalsContact CD1-CG1 3.41Å; I194-V229 HydrophobicContact CG2-CG1 4.36Å; A225-V229 WeakPolarHBondContact O-CG2 3.02Å; A225-V229 PolarHBondContact O-N 2.97Å; A225-V229 VanDerWaalsContact O-N 3.1Å; I226-V229 PolarHBondContact O-N 2.69Å; F227-V229 PolarHBondContact O-N 3.48Å; V229-S231 PolarHBondContact O-N 3.49Å; V229-R232 PolarHBondContact O-N 2.88Å
230M95.8Very high95.6Very high0 Ų044.9 Ų44.90%027%0.266CS..Hα-helixtrans-54.7-31.5-176.1-168.160.772.400113.9M170 I226 F227 R232 V233 V236 L258 A261 A262 H265M170-M230 HydrophobicContact SD-CE 3.57Å; M170-M230 VanDerWaalsContact SD-CE 3.57Å; M170-M230 HydrophobicContact SD-SD 4.19Å; I226-M230 HydrophobicContact CG2-CE 4Å; I226-M230 WeakPolarHBondContact O-CB 3.37Å; I226-M230 PolarHBondContact O-N 3.01Å; F227-M230 PolarHBondContact O-N 3.38Å; M230-R232 PolarHBondContact O-N 3.12Å; M230-V233 PolarHBondContact O-N 3.35Å; M230-V233 VanDerWaalsContact O-N 3.08Å; M230-V233 HydrophobicContact SD-CB 4.11Å; M230-V233 HydrophobicContact SD-CG1 4.34Å; M230-V233 HydrophobicContact SD-CG2 4.42Å; M230-V236 HydrophobicContact CE-CG2 4.18Å; M230-V236 HydrophobicContact SD-CG2 4.09Å; M230-L258 HydrophobicContact CE-CD2 4.43Å; M230-L258 HydrophobicContact CE-CG 4.21Å; M230-A261 HydrophobicContact CE-CB 3.88Å; M230-A261 HydrophobicContact CG-CB 4.32Å; M230-A262 HydrophobicContact CE-CB 4.22Å; M230-A262 HydrophobicContact SD-CB 4.32Å; M230-H265 HydrophobicContact CG-CB 3.87Å
231S95.4Very high95.3Very high79 Ų7943.6 Ų43.655%0.55226%0.256SS*.THydrogen-bonded Turntrans-58.2-21177.861.60000115V229V229-S231 PolarHBondContact O-N 3.49Å
232R95.3Very high95.1Very high198 Ų19842.7 Ų42.775%0.74725%0.252SS*.THydrogen-bonded Turntrans-104.2-6.3-179.2-58.6-178.9-176.9-167.70113.3V229 M230V229-R232 PolarHBondContact O-N 2.88Å; M230-R232 PolarHBondContact O-N 3.12Å
233V97.3Very high95Very high8 Ų840.5 Ų40.55%0.04823%0.233CC..  trans-83.5133.3-175.3174.60000109.4V168 M170 I194 M230 K235 V236 T267V168-V233 HydrophobicContact CG1-CG2 4.42Å; M170-V233 HydrophobicContact CB-CB 4.4Å; M170-V233 HydrophobicContact CB-CG1 3.56Å; M170-V233 HydrophobicContact CB-CG2 3.91Å; M170-V233 HydrophobicContact SD-CG2 4.04Å; I194-V233 HydrophobicContact CD1-CG2 4.31Å; M230-V233 PolarHBondContact O-N 3.35Å; M230-V233 VanDerWaalsContact O-N 3.08Å; M230-V233 HydrophobicContact SD-CB 4.11Å; M230-V233 HydrophobicContact SD-CG1 4.34Å; M230-V233 HydrophobicContact SD-CG2 4.42Å; V233-K235 VanDerWaalsContact CG1-O 3.27Å; V233-K235 WeakPolarHBondContact CG1-O 3.43Å; V233-V236 HydrophobicContact CG1-CG2 4.3Å; V233-T267 VanDerWaalsContact O-CG2 3.24Å; V233-T267 WeakPolarHBondContact O-CG2 3.49Å
234N96.8Very high94.9Very high79 Ų7939 Ų3942%0.42223%0.226SC..SBendtrans-89.2-38.7176.7-60.1109.6000112.2V168 P268V168-N234 PolarHBondContact N-OD1 3.29Å; V168-N234 PolarHBondContact O-N 2.91Å; N234-P268 WeakPolarHBondContact O-CD 3.26Å
235K96.9Very high94.7Very high35 Ų3534.8 Ų34.815%0.15219%0.191CC..EExtended strand (participates in β ladder)trans-143.2143.6-178.5-60.7-173.7-17961.80110.8H162 E167 V168 I169 M170 V233 P268 I270H162-K235 WeakPolarHBondContact O-CE 3.36Å; E167-K235 IonicContact OE1-NZ 2.63Å; E167-K235 PolarHBondContact OE1-NZ 3.35Å; E167-K235 IonicContact OE2-NZ 2.79Å; E167-K235 PolarHBondContact OE2-NZ 3Å; V168-K235 PolarHBondContact O-N 3.03Å; I169-K235 WeakPolarHBondContact CA-O 3.5Å; M170-K235 PolarHBondContact N-O 3.14Å; V233-K235 VanDerWaalsContact CG1-O 3.27Å; V233-K235 WeakPolarHBondContact CG1-O 3.43Å; K235-P268 HydrophobicContact CG-CG 4.08Å; K235-I270 HydrophobicContact CD-CD1 4.02Å
236V97.6Very high94.4Very high0 Ų036 Ų360%019%0.193CC..EExtended strand (participates in β ladder)trans-101.8125.4169167.90000108.2M170 M230 V233 I238 L258 A262 P268 L269 I270M170-V236 HydrophobicContact CB-CG2 4.32Å; M170-V236 WeakPolarHBondContact O-CA 3.48Å; M230-V236 HydrophobicContact CE-CG2 4.18Å; M230-V236 HydrophobicContact SD-CG2 4.09Å; V233-V236 HydrophobicContact CG1-CG2 4.3Å; V236-I238 HydrophobicContact CG1-CG2 3.69Å; V236-L258 HydrophobicContact CB-CD2 4.23Å; V236-L258 HydrophobicContact CG1-CD2 3.25Å; V236-L258 HydrophobicContact CG2-CD2 3.95Å; V236-A262 HydrophobicContact CG2-CB 3.9Å; V236-P268 PolarHBondContact N-O 3.15Å; V236-L269 HydrophobicContact CB-CB 4.48Å; V236-L269 HydrophobicContact CB-CD1 4.41Å; V236-L269 HydrophobicContact CB-CG 4.4Å; V236-L269 HydrophobicContact CG1-CD1 3.72Å; V236-L269 HydrophobicContact CG1-CG 3.91Å; V236-I270 PolarHBondContact O-N 3.15Å
237I97.4Very high94.2Very high0 Ų035.8 Ų35.80%019%0.192CC..EExtended strand (participates in β ladder)trans-121.4116.8174.4-56.2-177.5000108I163 I169 M170 T171 V178 F181 L182 I270I163-I237 HydrophobicContact CD1-CD1 4.17Å; I163-I237 HydrophobicContact CG1-CD1 4.14Å; I169-I237 HydrophobicContact CD1-CD1 4.12Å; I169-I237 HydrophobicContact CG2-CB 4.09Å; I169-I237 HydrophobicContact CG2-CD1 3.79Å; I169-I237 HydrophobicContact CG2-CG1 3.81Å; M170-I237 PolarHBondContact O-N 2.96Å; T171-I237 WeakPolarHBondContact CA-O 3.48Å; T171-I237 VanDerWaalsContact CB-O 3.31Å; T171-I237 WeakPolarHBondContact CB-O 3.34Å; T171-I237 PolarHBondContact OG1-O 3.48Å; V178-I237 HydrophobicContact CG1-CG2 3.86Å; V178-I237 HydrophobicContact CG2-CG2 4.35Å; F181-I237 HydrophobicContact CD1-CD1 4.39Å; F181-I237 HydrophobicContact CE1-CD1 3.91Å; L182-I237 HydrophobicContact CD2-CD1 4.4Å; I237-I270 WeakPolarHBondContact CA-O 3.41Å; I237-I270 HydrophobicContact CG1-CB 4.27Å; I237-I270 HydrophobicContact CG1-CD1 4.46Å
238I96.4Very high94Very high0 Ų030.5 Ų30.50%017%0.169CC..EExtended strand (participates in β ladder)trans-123.4153.8-178.161.8165000111.8I172 V236 L249 T255 L258 L269 I270 V271 C272I172-I238 HydrophobicContact CG2-CG2 3.89Å; V236-I238 HydrophobicContact CG1-CG2 3.69Å; I238-L249 HydrophobicContact CD1-CD1 4.45Å; I238-L249 HydrophobicContact CD1-CD2 4.01Å; I238-T255 HydrophobicContact CD1-CG2 3.41Å; I238-T255 VanDerWaalsContact CD1-CG2 3.41Å; I238-T255 HydrophobicContact CG2-CG2 4.45Å; I238-L258 HydrophobicContact CG2-CD2 4.31Å; I238-L269 HydrophobicContact CD1-CD1 4.33Å; I238-L269 HydrophobicContact CD1-CD2 3.92Å; I238-L269 HydrophobicContact CD1-CG 4.38Å; I238-L269 HydrophobicContact CG1-CD2 4.27Å; I238-I270 PolarHBondContact N-O 3.44Å; I238-V271 HydrophobicContact CD1-CG2 4.04Å; I238-V271 HydrophobicContact CG1-CB 4.43Å; I238-V271 HydrophobicContact CG1-CG1 4.44Å; I238-V271 HydrophobicContact CG1-CG2 3.9Å; I238-V271 WeakPolarHBondContact O-CA 3.45Å; I238-C272 PolarHBondContact O-N 3.36Å
239G94Very high93.8Very high12 Ų1227 Ų2712%0.12414%0.139CC..EExtended strand (participates in β ladder)trans-90.4166.6163.300000110.5
240T92.3Very high93.6Very high7 Ų725.8 Ų25.84%0.04313%0.13CC..  trans-133.3156.6172.4-175.10000110.8T242 V243 R250 V271 A273 K277T240-T242 PolarHBondContact OG1-N 3.32Å; T240-T242 PolarHBondContact OG1-O 3.37Å; T240-V243 HydrophobicContact CG2-CG2 3.75Å; T240-R250 PolarHBondContact OG1-O 2.99Å; T240-R250 VanDerWaalsContact OG1-O 3.04Å; T240-V271 HydrophobicContact CG2-CG1 3.98Å; T240-A273 HydrophobicContact CG2-CB 3.52Å; T240-K277 WeakPolarHBondContact O-CD 3.22Å; T240-K277 PolarHBondContact O-NZ 3.19Å
241Q90.1Very high93.4Very high38 Ų3825.8 Ų25.818%0.17813%0.131CC..SBendtrans-85.1-44.6167.8-174.664.65.500110.4E78 R250 K277 F317E78-Q241 PolarHBondContact OE2-NE2 3.06Å; Q241-R250 WeakPolarHBondContact CA-O 3.25Å; Q241-R250 WeakPolarHBondContact CB-O 3.44Å; Q241-R250 PolarHBondContact N-O 3.14Å; Q241-K277 WeakPolarHBondContact O-CD 3.16Å; Q241-K277 WeakPolarHBondContact O-CG 3.47Å; Q241-F317 HydrophobicContact CB-CD1 4.3Å; Q241-F317 HydrophobicContact CB-CE1 3.9Å; Q241-F317 HydrophobicContact CB-CZ 4.44Å; Q241-F317 HydrophobicContact CG-CE1 3.88Å; Q241-F317 HydrophobicContact CG-CZ 3.92Å
242T91.1Very high93.2Very high0 Ų023.7 Ų23.70%012%0.115CC..EExtended strand (participates in β ladder)trans-145.4141.8-177.9-49.10000110.6T79 T240 L244 L249 R250 K277T79-T242 HydrophobicContact CG2-CG2 4.02Å; T79-T242 WeakPolarHBondContact OG1-CB 3.48Å; T79-T242 WeakPolarHBondContact OG1-CG2 3.34Å; T79-T242 PolarHBondContact OG1-OG1 3.49Å; T240-T242 PolarHBondContact OG1-N 3.32Å; T240-T242 PolarHBondContact OG1-O 3.37Å; T242-L244 HydrophobicContact CG2-CD2 4.18Å; T242-L249 WeakPolarHBondContact O-CA 3.34Å; T242-R250 PolarHBondContact N-O 2.88Å; T242-R250 VanDerWaalsContact N-O 3.08Å; T242-R250 PolarHBondContact O-N 2.84Å; T242-R250 PolarHBondContact OG1-NH2 3.15Å; T242-K277 WeakPolarHBondContact CA-O 3.4Å; T242-K277 WeakPolarHBondContact CG2-O 3.48Å
243V93.3Very high93Very high0 Ų016.5 Ų16.50%09%0.091CC..EExtended strand (participates in β ladder)trans-106.2128.9167.1-177.70000108.1T240 A273 K277 L278 S279 F328 I340T240-V243 HydrophobicContact CG2-CG2 3.75Å; V243-A273 HydrophobicContact CG2-CB 3.95Å; V243-K277 PolarHBondContact N-O 2.95Å; V243-L278 HydrophobicContact CB-CG 4.2Å; V243-L278 HydrophobicContact CG1-CG 4.43Å; V243-L278 CarbonylContact O-C 3.58Å; V243-L278 WeakPolarHBondContact O-CA 3.48Å; V243-S279 PolarHBondContact O-N 2.98Å; V243-F328 HydrophobicContact CG1-CE1 3.98Å; V243-F328 HydrophobicContact CG1-CZ 4.03Å; V243-F328 HydrophobicContact CG2-CD1 4.43Å; V243-F328 HydrophobicContact CG2-CE1 3.86Å; V243-I340 HydrophobicContact CG1-CG2 4.21Å
244L91.4Very high92.6Very high2 Ų216.5 Ų16.51%0.019%0.092CC..  trans-89.9168.4-177.3-58.5-177.3000112T242 N246 G247 G248 S279 P283 F289 Y319T242-L244 HydrophobicContact CG2-CD2 4.18Å; L244-N246 VanDerWaalsContact C-N 3.27Å; L244-N246 PolarHBondContact O-N 3.2Å; L244-G247 PolarHBondContact O-N 3.49Å; L244-G248 PolarHBondContact N-O 3.29Å; L244-S279 CarbonylContact C-O 3.51Å; L244-P283 HydrophobicContact CD1-CB 3.78Å; L244-P283 HydrophobicContact CD1-CG 4.01Å; L244-F289 HydrophobicContact CD1-CD1 4.39Å; L244-F289 HydrophobicContact CD1-CE1 3.55Å; L244-F289 HydrophobicContact CD1-CZ 4.19Å; L244-F289 HydrophobicContact CD2-CE1 4.13Å; L244-F289 HydrophobicContact CG-CE1 4.5Å; L244-Y319 HydrophobicContact CD1-CD2 4.16Å; L244-Y319 HydrophobicContact CD1-CE2 3.65Å
245A89.9Confident92.5Very high13 Ų1312.7 Ų12.711%0.1077%0.072CC..THydrogen-bonded Turntrans-60.8-31.8-179.700000114.2G247 S279 Q281 F282 M344A245-G247 PolarHBondContact O-N 3.5Å; A245-S279 PolarHBondContact N-O 2.89Å; A245-S279 VanDerWaalsContact N-O 3.14Å; A245-Q281 PolarHBondContact N-O 3.38Å; A245-F282 HydrophobicContact CB-CD1 4.17Å; A245-F282 HydrophobicContact CB-CD2 4.09Å; A245-F282 HydrophobicContact CB-CE1 3.84Å; A245-F282 HydrophobicContact CB-CE2 3.75Å; A245-F282 HydrophobicContact CB-CG 4.29Å; A245-F282 HydrophobicContact CB-CZ 3.62Å; A245-M344 HydrophobicContact CB-CE 4.34Å
246N89.3Confident92.4Very high58 Ų5814 Ų1431%0.318%0.079SC..THydrogen-bonded Turntrans-77.40.6175.773.5-22.1000113.6L244 G248 P283 Y319 P322L244-N246 VanDerWaalsContact C-N 3.27Å; L244-N246 PolarHBondContact O-N 3.2Å; N246-G248 PolarHBondContact O-N 2.93Å; N246-G248 WeakPolarHBondContact OD1-CA 3.42Å; N246-G248 PolarHBondContact OD1-N 3.38Å; N246-P283 VanDerWaalsContact ND2-CG 3.29Å; N246-P283 WeakPolarHBondContact ND2-CG 3.36Å; N246-Y319 PolarHBondContact ND2-OH 3.38Å; N246-P322 WeakPolarHBondContact O-CB 3.01Å; N246-P322 WeakPolarHBondContact O-CG 3.02Å
247G89.8Confident92.3Very high0 Ų017.8 Ų17.80%010%0.102CC..SBendtrans80.9-0.1-17400000113.9L244 A245 I325 F328L244-G247 PolarHBondContact O-N 3.49Å; A245-G247 PolarHBondContact O-N 3.5Å; G247-I325 WeakPolarHBondContact O-CD1 3.29Å; G247-F328 WeakPolarHBondContact O-CZ 3.35Å
248G92.1Very high92.2Very high0 Ų017.8 Ų17.80%010%0.102CC..  trans-68.6160.717000000111L244 N246 V320L244-G248 PolarHBondContact N-O 3.29Å; N246-G248 PolarHBondContact O-N 2.93Å; N246-G248 WeakPolarHBondContact OD1-CA 3.42Å; N246-G248 PolarHBondContact OD1-N 3.38Å; G248-V320 WeakPolarHBondContact CA-O 3.36Å
249L92.2Very high92.2Very high0 Ų017.8 Ų17.80%010%0.102CC..EExtended strand (participates in β ladder)trans-124147.9-179.261.485.6000111.3I238 T242 A251 T255 V271 Y319 V320 I325I238-L249 HydrophobicContact CD1-CD1 4.45Å; I238-L249 HydrophobicContact CD1-CD2 4.01Å; T242-L249 WeakPolarHBondContact O-CA 3.34Å; L249-A251 HydrophobicContact CD1-CB 3.54Å; L249-T255 HydrophobicContact CD1-CG2 4.44Å; L249-V271 HydrophobicContact CD2-CG1 4.14Å; L249-V271 HydrophobicContact CD2-CG2 3.62Å; L249-Y319 WeakPolarHBondContact O-CD2 3.25Å; L249-V320 HydrophobicContact CD1-CB 3.36Å; L249-V320 HydrophobicContact CD1-CG1 4.31Å; L249-V320 HydrophobicContact CD1-CG2 3.37Å; L249-V320 HydrophobicContact CD2-CB 4.39Å; L249-V320 HydrophobicContact CG-CB 3.67Å; L249-V320 HydrophobicContact CG-CG1 4.37Å; L249-V320 HydrophobicContact CG-CG2 4.25Å; L249-V320 PolarHBondContact N-O 3.35Å; L249-V320 PolarHBondContact O-N 3.38Å; L249-I325 HydrophobicContact CB-CD1 4.37Å; L249-I325 HydrophobicContact CD2-CD1 3.36Å; L249-I325 HydrophobicContact CD2-CG1 3.77Å; L249-I325 HydrophobicContact CG-CD1 3.83Å
250R91.6Very high92.4Very high12 Ų1221.9 Ų21.95%0.04512%0.12CC..EExtended strand (participates in β ladder)trans-109.8107.2167.6-172.9-179.862.8172.62.3107.3S77 T240 Q241 T242 F289 F317 D318S77-R250 VanDerWaalsContact O-CZ 3.31Å; S77-R250 PolarHBondContact O-NH1 3.28Å; S77-R250 PolarHBondContact O-NH2 3.37Å; T240-R250 PolarHBondContact OG1-O 2.99Å; T240-R250 VanDerWaalsContact OG1-O 3.04Å; Q241-R250 WeakPolarHBondContact CA-O 3.25Å; Q241-R250 WeakPolarHBondContact CB-O 3.44Å; Q241-R250 PolarHBondContact N-O 3.14Å; T242-R250 PolarHBondContact N-O 2.88Å; T242-R250 VanDerWaalsContact N-O 3.08Å; T242-R250 PolarHBondContact O-N 2.84Å; T242-R250 PolarHBondContact OG1-NH2 3.15Å; R250-F289 WeakPolarHBondContact CD-O 3.45Å; R250-F317 HydrophobicContact CG-CB 3.83Å; R250-F317 HydrophobicContact CG-CG 4.33Å; R250-D318 WeakPolarHBondContact CA-O 3.35Å
251A91.5Very high92.6Very high1 Ų121.7 Ų21.71%0.00812%0.12CC..EExtended strand (participates in β ladder)trans-121.1-177.2-177.600000110.8L249 T255 F317 D318L249-A251 HydrophobicContact CD1-CB 3.54Å; A251-T255 HydrophobicContact CB-CG2 3.82Å; A251-F317 CarbonylContact O-C 3.56Å; A251-F317 WeakPolarHBondContact O-CA 3.46Å; A251-F317 WeakPolarHBondContact O-CB 3.43Å; A251-F317 WeakPolarHBondContact O-CD1 3.48Å; A251-D318 PolarHBondContact N-O 2.75Å; A251-D318 PolarHBondContact O-N 3.47Å
252V91.2Very high92.9Very high35 Ų3520 Ų2021%0.21211%0.111CC..EExtended strand (participates in β ladder)trans-60.6153175.9-62.60000110.9I172 T255 V316I172-V252 HydrophobicContact CG1-CG2 4.32Å; I172-V252 HydrophobicContact CG2-CG2 4.13Å; V252-T255 WeakPolarHBondContact CG2-OG1 3.35Å; V252-T255 VanDerWaalsContact O-CB 3.27Å; V252-T255 WeakPolarHBondContact O-CB 3.32Å; V252-T255 PolarHBondContact O-N 3.05Å; V252-T255 PolarHBondContact O-OG1 3.19Å; V252-V316 CarbonylContact C-O 3.27Å
253N90.3Very high93.2Very high47 Ų4725.6 Ų25.625%0.25114%0.136SC..THydrogen-bonded Turntrans-53.3144.5177.8-169.4-3000111.9C198 T255 P315 V316C198-N253 PolarHBondContact SG-O 3.24Å; N253-T255 PolarHBondContact O-N 3.37Å; N253-P315 PolarHBondContact ND2-O 2.78Å; N253-V316 PolarHBondContact N-O 3.16Å
254G90.1Very high93.4Very high7 Ų732 Ų327%0.07217%0.165CC..THydrogen-bonded Turntrans82.3-3.9-176.700000113.9I172 H256 T257 L258I172-G254 VanDerWaalsContact CD1-C 3.44Å; I172-G254 WeakPolarHBondContact CD1-O 3.33Å; G254-H256 VanDerWaalsContact C-N 3.34Å; G254-T257 PolarHBondContact O-OG1 3.2Å; G254-L258 WeakPolarHBondContact O-CB 3.4Å; G254-L258 PolarHBondContact O-N 3Å; G254-L258 VanDerWaalsContact O-N 3.14Å
255T94.3Very high93.6Very high0 Ų035 Ų350%018%0.179CC..Hα-helixtrans-70.3-32.5176.9-53.10000111.4I172 I238 L249 A251 V252 N253 L258 A259 V320I172-T255 HydrophobicContact CG2-CG2 4.36Å; I238-T255 HydrophobicContact CD1-CG2 3.41Å; I238-T255 VanDerWaalsContact CD1-CG2 3.41Å; I238-T255 HydrophobicContact CG2-CG2 4.45Å; L249-T255 HydrophobicContact CD1-CG2 4.44Å; A251-T255 HydrophobicContact CB-CG2 3.82Å; V252-T255 WeakPolarHBondContact CG2-OG1 3.35Å; V252-T255 VanDerWaalsContact O-CB 3.27Å; V252-T255 WeakPolarHBondContact O-CB 3.32Å; V252-T255 PolarHBondContact O-N 3.05Å; V252-T255 PolarHBondContact O-OG1 3.19Å; N253-T255 PolarHBondContact O-N 3.37Å; T255-L258 PolarHBondContact O-N 3.35Å; T255-A259 WeakPolarHBondContact O-CB 3.36Å; T255-A259 PolarHBondContact O-N 2.84Å; T255-V320 HydrophobicContact CG2-CG2 3.92Å
256H94.6Very high93.9Very high62 Ų6239.6 Ų39.629%0.28721%0.211SC..Hα-helixtrans-65.3-45.3176.3-174.7103.9000111.9G254 L258 A259 L260 D318 Y319 V320G254-H256 VanDerWaalsContact C-N 3.34Å; H256-L258 VanDerWaalsContact C-N 3.28Å; H256-L258 PolarHBondContact O-N 2.95Å; H256-A259 PolarHBondContact O-N 3.46Å; H256-L260 WeakPolarHBondContact O-CB 3.47Å; H256-L260 PolarHBondContact O-N 2.78Å; H256-D318 VanDerWaalsContact CB-CG 3.47Å; H256-D318 WeakPolarHBondContact CB-OD2 3.33Å; H256-D318 PolarHBondContact N-OD2 2.9Å; H256-Y319 PolarHBondContact ND1-O 3.4Å; H256-V320 HydrophobicContact CB-CG2 4.12Å
257T95.3Very high94.3Very high79 Ų7937.7 Ų37.749%0.48520%0.201SC..Hα-helixtrans-64.1-37.9178.559.60000111.1G254 L260 A261G254-T257 PolarHBondContact O-OG1 3.2Å; T257-L260 PolarHBondContact O-N 3.17Å; T257-A261 WeakPolarHBondContact O-CB 3.47Å; T257-A261 PolarHBondContact O-N 3.22Å
258L96.2Very high94.6Very high0 Ų040 Ų400%022%0.216CC..Hα-helixtrans-62.5-46172.3-168.9155.6000111.9M170 I172 I226 M230 V236 I238 G254 T255 H256 L260 A261 A262 L269M170-L258 HydrophobicContact CE-CD1 3.93Å; M170-L258 HydrophobicContact CE-CG 4.46Å; M170-L258 HydrophobicContact CG-CD1 4.36Å; M170-L258 HydrophobicContact SD-CD1 4.32Å; I172-L258 HydrophobicContact CB-CD1 3.79Å; I172-L258 HydrophobicContact CD1-CD1 4.25Å; I172-L258 HydrophobicContact CG2-CD1 4.15Å; I226-L258 HydrophobicContact CD1-CB 4.38Å; I226-L258 HydrophobicContact CD1-CD1 4.34Å; I226-L258 HydrophobicContact CG2-CB 4.12Å; I226-L258 HydrophobicContact CG2-CD1 4.46Å; I226-L258 HydrophobicContact CG2-CG 4.02Å; M230-L258 HydrophobicContact CE-CD2 4.43Å; M230-L258 HydrophobicContact CE-CG 4.21Å; V236-L258 HydrophobicContact CB-CD2 4.23Å; V236-L258 HydrophobicContact CG1-CD2 3.25Å; V236-L258 HydrophobicContact CG2-CD2 3.95Å; I238-L258 HydrophobicContact CG2-CD2 4.31Å; G254-L258 WeakPolarHBondContact O-CB 3.4Å; G254-L258 PolarHBondContact O-N 3Å; G254-L258 VanDerWaalsContact O-N 3.14Å; T255-L258 PolarHBondContact O-N 3.35Å; H256-L258 VanDerWaalsContact C-N 3.28Å; H256-L258 PolarHBondContact O-N 2.95Å; L258-L260 VanDerWaalsContact C-N 3.35Å; L258-L260 PolarHBondContact O-N 3.32Å; L258-A261 PolarHBondContact O-N 3.46Å; L258-A262 VanDerWaalsContact O-CB 3.32Å; L258-A262 WeakPolarHBondContact O-CB 3.24Å; L258-A262 PolarHBondContact O-N 2.91Å; L258-L269 HydrophobicContact CD2-CD1 4.37Å
259A96.6Very high94.8Very high0 Ų040 Ų400%022%0.216CC..Hα-helixtrans-64.6-38.7178.600000112.3T255 H256 A262 K263 L269 V320 L324T255-A259 WeakPolarHBondContact O-CB 3.36Å; T255-A259 PolarHBondContact O-N 2.84Å; H256-A259 PolarHBondContact O-N 3.46Å; A259-A262 PolarHBondContact O-N 3.38Å; A259-K263 WeakPolarHBondContact O-CB 3.34Å; A259-K263 PolarHBondContact O-N 3.49Å; A259-L269 HydrophobicContact CB-CD1 3.67Å; A259-V320 HydrophobicContact CB-CG1 3.52Å; A259-L324 HydrophobicContact CB-CB 4.01Å; A259-L324 HydrophobicContact CB-CD1 3.81Å
260L96.7Very high95.1Very high99 Ų9940.3 Ų40.352%0.51822%0.218SC..Hα-helixtrans-66.3-43.7175.4-172.367000111.4H256 T257 L258 A262 K263 H264H256-L260 WeakPolarHBondContact O-CB 3.47Å; H256-L260 PolarHBondContact O-N 2.78Å; T257-L260 PolarHBondContact O-N 3.17Å; L258-L260 VanDerWaalsContact C-N 3.35Å; L258-L260 PolarHBondContact O-N 3.32Å; L260-A262 VanDerWaalsContact C-N 3.34Å; L260-K263 PolarHBondContact O-N 3.35Å; L260-H264 WeakPolarHBondContact O-CB 3.42Å; L260-H264 PolarHBondContact O-N 2.7Å
261A96.7Very high95.3Very high3 Ų339.8 Ų39.83%0.02522%0.216CC..Hα-helixtrans-61.7-43174.400000111.4I226 F227 M230 T257 L258 K263 H264 H265I226-A261 HydrophobicContact CG2-CB 4.3Å; F227-A261 HydrophobicContact CD2-CB 3.71Å; F227-A261 HydrophobicContact CE2-CB 4.39Å; M230-A261 HydrophobicContact CE-CB 3.88Å; M230-A261 HydrophobicContact CG-CB 4.32Å; T257-A261 WeakPolarHBondContact O-CB 3.47Å; T257-A261 PolarHBondContact O-N 3.22Å; L258-A261 PolarHBondContact O-N 3.46Å; A261-K263 PolarHBondContact O-N 2.82Å; A261-H264 PolarHBondContact O-N 2.87Å; A261-H265 PolarHBondContact O-CD2 3.45Å; A261-H265 VanDerWaalsContact O-CD2 3.31Å; A261-H265 PolarHBondContact O-N 3.43Å
262A96.9Very high95.5Very high1 Ų139.7 Ų39.71%0.00822%0.215CC..Hα-helixtrans-60.6-46176.700000111.3M230 V236 L258 A259 L260 H264 H265 S266 T267 L269M230-A262 HydrophobicContact CE-CB 4.22Å; M230-A262 HydrophobicContact SD-CB 4.32Å; V236-A262 HydrophobicContact CG2-CB 3.9Å; L258-A262 VanDerWaalsContact O-CB 3.32Å; L258-A262 WeakPolarHBondContact O-CB 3.24Å; L258-A262 PolarHBondContact O-N 2.91Å; A259-A262 PolarHBondContact O-N 3.38Å; L260-A262 VanDerWaalsContact C-N 3.34Å; A262-H264 PolarHBondContact O-N 3.3Å; A262-H265 CarbonylContact O-C 3.52Å; A262-H265 PolarHBondContact O-N 2.97Å; A262-S266 PolarHBondContact O-N 2.9Å; A262-T267 WeakPolarHBondContact CA-OG1 3.48Å; A262-T267 VanDerWaalsContact CB-OG1 3.28Å; A262-T267 WeakPolarHBondContact CB-OG1 3.34Å; A262-T267 PolarHBondContact O-N 3.46Å; A262-T267 PolarHBondContact O-OG1 2.94Å; A262-L269 HydrophobicContact CB-CD1 4.47Å
263K96.8Very high95.6Very high118 Ų11838.2 Ų38.251%0.51321%0.206SC..Hα-helixtrans-61-44.4176.3-170.471.1173.3-159.80112.2A259 L260 A261 H265 S266 E323 L324A259-K263 WeakPolarHBondContact O-CB 3.34Å; A259-K263 PolarHBondContact O-N 3.49Å; L260-K263 PolarHBondContact O-N 3.35Å; A261-K263 PolarHBondContact O-N 2.82Å; K263-H265 VanDerWaalsContact C-N 3.29Å; K263-H265 PolarHBondContact O-N 2.92Å; K263-S266 PolarHBondContact O-N 3.27Å; K263-E323 PolarHBondContact NZ-O 3.45Å; K263-L324 HydrophobicContact CB-CD2 3.72Å; K263-L324 HydrophobicContact CD-CD2 4.17Å; K263-L324 HydrophobicContact CG-CD2 3.74Å
264H97.1Very high95.8Very high134 Ų13436 Ų3662%0.6220%0.195SC*.Hα-helixtrans-59.8-39.9177.3-179.3-92.3000112F227 L260 A261 A262 S266F227-H264 HydrophobicContact CE2-CB 4.48Å; F227-H264 AromaticContact CZ-CE1 4Å; F227-H264 AromaticContact CZ-ND1 3.75Å; L260-H264 WeakPolarHBondContact O-CB 3.42Å; L260-H264 PolarHBondContact O-N 2.7Å; A261-H264 PolarHBondContact O-N 2.87Å; A262-H264 PolarHBondContact O-N 3.3Å; H264-S266 VanDerWaalsContact C-N 3.31Å
265H96.7Very high95.9Very high66 Ų6636.2 Ų36.231%0.30619%0.194SC..THydrogen-bonded Turntrans-87.55.6176.6-73.6-77.7000114.2F227 M230 A261 A262 K263 T267F227-H265 AromaticContact CZ-NE2 3.99Å; M230-H265 HydrophobicContact CG-CB 3.87Å; A261-H265 PolarHBondContact O-CD2 3.45Å; A261-H265 VanDerWaalsContact O-CD2 3.31Å; A261-H265 PolarHBondContact O-N 3.43Å; A262-H265 CarbonylContact O-C 3.52Å; A262-H265 PolarHBondContact O-N 2.97Å; K263-H265 VanDerWaalsContact C-N 3.29Å; K263-H265 PolarHBondContact O-N 2.92Å; H265-T267 HydrophobicContact CB-CG2 4.15Å; H265-T267 PolarHBondContact O-N 3.03Å
266S96.1Very high95.8Very high109 Ų10936.5 Ų36.576%0.76220%0.195SC*.THydrogen-bonded Turntrans53.231.9-176.5-57.40000113.8A262 K263 H264A262-S266 PolarHBondContact O-N 2.9Å; K263-S266 PolarHBondContact O-N 3.27Å; H264-S266 VanDerWaalsContact C-N 3.31Å
267T96.8Very high95.7Very high18 Ų1834 Ų3411%0.1118%0.184CC..  trans-85.6133.8174.559.60000109.6V233 A262 H265 L269V233-T267 VanDerWaalsContact O-CG2 3.24Å; V233-T267 WeakPolarHBondContact O-CG2 3.49Å; A262-T267 WeakPolarHBondContact CA-OG1 3.48Å; A262-T267 VanDerWaalsContact CB-OG1 3.28Å; A262-T267 WeakPolarHBondContact CB-OG1 3.34Å; A262-T267 PolarHBondContact O-N 3.46Å; A262-T267 PolarHBondContact O-OG1 2.94Å; H265-T267 HydrophobicContact CB-CG2 4.15Å; H265-T267 PolarHBondContact O-N 3.03Å; T267-L269 PolarHBondContact O-N 3.35Å
268P96.7Very high95.6Very high48 Ų4830.5 Ų30.531%0.31216%0.162SC..  trans-69.4133.1-179.528.6-35.4000110.7N234 K235 V236 T326N234-P268 WeakPolarHBondContact O-CD 3.26Å; K235-P268 HydrophobicContact CG-CG 4.08Å; V236-P268 PolarHBondContact N-O 3.15Å; P268-T326 HydrophobicContact CB-CG2 4.19Å
269L97.1Very high95.4Very high0 Ų030.5 Ų30.50%016%0.162CC..EExtended strand (participates in β ladder)trans-102.9114.5177.8-172.4137000110.2V236 I238 L258 A259 A262 T267 V271 I325 T326 L327V236-L269 HydrophobicContact CB-CB 4.48Å; V236-L269 HydrophobicContact CB-CD1 4.41Å; V236-L269 HydrophobicContact CB-CG 4.4Å; V236-L269 HydrophobicContact CG1-CD1 3.72Å; V236-L269 HydrophobicContact CG1-CG 3.91Å; I238-L269 HydrophobicContact CD1-CD1 4.33Å; I238-L269 HydrophobicContact CD1-CD2 3.92Å; I238-L269 HydrophobicContact CD1-CG 4.38Å; I238-L269 HydrophobicContact CG1-CD2 4.27Å; L258-L269 HydrophobicContact CD2-CD1 4.37Å; A259-L269 HydrophobicContact CB-CD1 3.67Å; A262-L269 HydrophobicContact CB-CD1 4.47Å; T267-L269 PolarHBondContact O-N 3.35Å; L269-V271 HydrophobicContact CD2-CG2 3.62Å; L269-I325 HydrophobicContact CD2-CB 4.22Å; L269-I325 HydrophobicContact CD2-CG1 3.99Å; L269-I325 HydrophobicContact CD2-CG2 4.14Å; L269-T326 PolarHBondContact N-OG1 3.21Å; L269-T326 VanDerWaalsContact N-OG1 3.13Å; L269-T326 WeakPolarHBondContact O-CB 3.47Å; L269-T326 PolarHBondContact O-N 2.64Å; L269-L327 PolarHBondContact O-N 3.34Å; L269-L327 VanDerWaalsContact O-N 3.17Å
270I97.3Very high95Very high8 Ų830.7 Ų30.74%0.04116%0.163CC..EExtended strand (participates in β ladder)trans-106.8128-178.1-62.1169.5000108.5K235 V236 I237 I238 L327 I329K235-I270 HydrophobicContact CD-CD1 4.02Å; V236-I270 PolarHBondContact O-N 3.15Å; I237-I270 WeakPolarHBondContact CA-O 3.41Å; I237-I270 HydrophobicContact CG1-CB 4.27Å; I237-I270 HydrophobicContact CG1-CD1 4.46Å; I238-I270 PolarHBondContact N-O 3.44Å; I270-L327 CarbonylContact C-O 3.44Å; I270-L327 WeakPolarHBondContact CA-O 3.49Å; I270-L327 HydrophobicContact CG1-CB 4.45Å; I270-I329 HydrophobicContact CG2-CD1 3.31Å; I270-I329 HydrophobicContact CG2-CG1 3.72Å
271V96.9Very high94.5Very high0 Ų029.2 Ų29.20%015%0.153CC..EExtended strand (participates in β ladder)trans-112.5113.9-178.8-173.10000109.2I238 T240 L249 L269 A273 I325 L327 F328 I329I238-V271 HydrophobicContact CD1-CG2 4.04Å; I238-V271 HydrophobicContact CG1-CB 4.43Å; I238-V271 HydrophobicContact CG1-CG1 4.44Å; I238-V271 HydrophobicContact CG1-CG2 3.9Å; I238-V271 WeakPolarHBondContact O-CA 3.45Å; T240-V271 HydrophobicContact CG2-CG1 3.98Å; L249-V271 HydrophobicContact CD2-CG1 4.14Å; L249-V271 HydrophobicContact CD2-CG2 3.62Å; L269-V271 HydrophobicContact CD2-CG2 3.62Å; V271-A273 HydrophobicContact CG1-CB 4.2Å; V271-A273 PolarHBondContact O-N 2.95Å; V271-I325 HydrophobicContact CG2-CG2 3.7Å; V271-L327 PolarHBondContact N-O 3.32Å; V271-F328 HydrophobicContact CB-CD1 3.73Å; V271-F328 HydrophobicContact CB-CE1 3.91Å; V271-F328 HydrophobicContact CG1-CD1 4Å; V271-F328 HydrophobicContact CG1-CE1 3.95Å; V271-F328 HydrophobicContact CG2-CD1 4.38Å; V271-F328 HydrophobicContact CG2-CE1 4.19Å; V271-F328 WeakPolarHBondContact O-CA 3.45Å; V271-I329 PolarHBondContact O-N 2.8Å
272C95.6Very high93.8Very high0 Ų034.6 Ų34.60%018%0.177CC..EExtended strand (participates in β ladder)trans-85.9100.7173.5-59.90000108.9I155 T177 V178 I238I155-C272 HydrophobicContact CG2-CB 4.41Å; T177-C272 HydrophobicContact CG2-CB 4.15Å; V178-C272 HydrophobicContact CG2-CB 4Å; I238-C272 PolarHBondContact O-N 3.36Å
273A93Very high92.7Very high3 Ų336.1 Ų36.13%0.02519%0.186CC..  trans-130.5114.9-174.600000110.7T240 V243 V271 I329 S330T240-A273 HydrophobicContact CG2-CB 3.52Å; V243-A273 HydrophobicContact CG2-CB 3.95Å; V271-A273 HydrophobicContact CG1-CB 4.2Å; V271-A273 PolarHBondContact O-N 2.95Å; A273-I329 PolarHBondContact N-O 3.39Å; A273-S330 WeakPolarHBondContact O-CA 3.01Å
274P93.7Very high91.2Very high1 Ų137.1 Ų37.11%0.00620%0.197CC..  trans-64.8152.6170.329.2-38.1000112.1T151 I155 F276 K277T151-P274 HydrophobicContact CG2-CB 3.29Å; I155-P274 HydrophobicContact CD1-CB 4.16Å; P274-F276 VanDerWaalsContact C-N 3.27Å; P274-F276 HydrophobicContact CB-CD1 3.71Å; P274-F276 HydrophobicContact CB-CE1 3.34Å; P274-F276 HydrophobicContact CB-CG 4.46Å; P274-F276 HydrophobicContact CB-CZ 3.8Å; P274-F276 HydrophobicContact CG-CD1 4.12Å; P274-F276 HydrophobicContact CG-CD2 4.45Å; P274-F276 HydrophobicContact CG-CE1 3.52Å; P274-F276 HydrophobicContact CG-CE2 3.89Å; P274-F276 HydrophobicContact CG-CZ 3.38Å; P274-F276 PolarHBondContact O-N 2.86Å; P274-K277 HydrophobicContact CG-CD 3.83Å; P274-K277 HydrophobicContact CG-CG 3.99Å; P274-K277 PolarHBondContact O-N 3.22Å; P274-K277 VanDerWaalsContact O-N 3.1Å
275M92.4Very high89.6Confident12 Ų1237.1 Ų37.16%0.05920%0.198CC..G310 helixtrans-64.1-27.4-172.3-73.9170.781.700114.7K277 L278 N331 I332 L343 L347M275-K277 PolarHBondContact O-N 3.4Å; M275-K277 VanDerWaalsContact O-N 3.17Å; M275-L278 WeakPolarHBondContact O-CD1 3.2Å; M275-L278 PolarHBondContact O-N 3.43Å; M275-L278 VanDerWaalsContact O-N 3.15Å; M275-N331 WeakPolarHBondContact CB-OD1 3.33Å; M275-N331 WeakPolarHBondContact CG-OD1 3.48Å; M275-N331 PolarHBondContact N-OD1 2.86Å; M275-N331 PolarHBondContact SD-ND2 3.41Å; M275-N331 PolarHBondContact SD-OD1 2.65Å; M275-I332 HydrophobicContact CE-CD1 3.76Å; M275-I332 HydrophobicContact CE-CG1 4.3Å; M275-I332 HydrophobicContact CE-CG2 4.38Å; M275-I332 HydrophobicContact SD-CB 4.26Å; M275-I332 HydrophobicContact SD-CD1 3.85Å; M275-I332 HydrophobicContact SD-CG1 3.69Å; M275-I332 HydrophobicContact SD-CG2 3.63Å; M275-L343 HydrophobicContact CE-CD2 4.47Å; M275-L347 HydrophobicContact CB-CD1 4.41Å; M275-L347 HydrophobicContact CE-CD1 3.76Å; M275-L347 HydrophobicContact CE-CD2 3.82Å; M275-L347 HydrophobicContact CE-CG 4.12Å
276F92.7Very high87.6Confident6 Ų641.7 Ų41.73%0.02622%0.219CC..G310 helixtrans-67.3-13.2177.862.5-102.7000114.1A35 A38 T80 N83 M84 L148 T151 P274A35-F276 HydrophobicContact CB-CE1 4.4Å; A35-F276 HydrophobicContact CB-CZ 3.82Å; A38-F276 HydrophobicContact CB-CD2 4.03Å; A38-F276 HydrophobicContact CB-CE2 4.36Å; A38-F276 HydrophobicContact CB-CG 4.26Å; T80-F276 HydrophobicContact CG2-CD2 3.82Å; T80-F276 HydrophobicContact CG2-CE2 4.29Å; N83-F276 PolarHBondContact ND2-O 3.19Å; M84-F276 HydrophobicContact SD-CB 3.63Å; L148-F276 HydrophobicContact CD2-CB 3.74Å; L148-F276 HydrophobicContact CD2-CD1 3.39Å; L148-F276 HydrophobicContact CD2-CE1 4.24Å; L148-F276 HydrophobicContact CD2-CG 3.84Å; T151-F276 HydrophobicContact CG2-CE1 4.22Å; P274-F276 VanDerWaalsContact C-N 3.27Å; P274-F276 HydrophobicContact CB-CD1 3.71Å; P274-F276 HydrophobicContact CB-CE1 3.34Å; P274-F276 HydrophobicContact CB-CG 4.46Å; P274-F276 HydrophobicContact CB-CZ 3.8Å; P274-F276 HydrophobicContact CG-CD1 4.12Å; P274-F276 HydrophobicContact CG-CD2 4.45Å; P274-F276 HydrophobicContact CG-CE1 3.52Å; P274-F276 HydrophobicContact CG-CE2 3.89Å; P274-F276 HydrophobicContact CG-CZ 3.38Å; P274-F276 PolarHBondContact O-N 2.86Å
277K93.2Very high85.5Confident9 Ų944 Ų444%0.03922%0.223CC..G310 helixtrans-86.5-7.1175.2-71-175.8177.2-178.20113.8S34 T240 Q241 T242 V243 P274 M275S34-K277 WeakPolarHBondContact OG-CE 3.33Å; S34-K277 PolarHBondContact OG-NZ 3.18Å; T240-K277 WeakPolarHBondContact O-CD 3.22Å; T240-K277 PolarHBondContact O-NZ 3.19Å; Q241-K277 WeakPolarHBondContact O-CD 3.16Å; Q241-K277 WeakPolarHBondContact O-CG 3.47Å; T242-K277 WeakPolarHBondContact CA-O 3.4Å; T242-K277 WeakPolarHBondContact CG2-O 3.48Å; V243-K277 PolarHBondContact N-O 2.95Å; P274-K277 HydrophobicContact CG-CD 3.83Å; P274-K277 HydrophobicContact CG-CG 3.99Å; P274-K277 PolarHBondContact O-N 3.22Å; P274-K277 VanDerWaalsContact O-N 3.1Å; M275-K277 PolarHBondContact O-N 3.4Å; M275-K277 VanDerWaalsContact O-N 3.17Å
278L93.1Very high83.9Confident6 Ų647 Ų473%0.03124%0.241CC..BIsolated β-bridgetrans-70.9128.3172.6-81.182.3000109.5N83 V243 M275 I340 L343 M344 Y348N83-L278 PolarHBondContact ND2-O 3.34Å; V243-L278 HydrophobicContact CB-CG 4.2Å; V243-L278 HydrophobicContact CG1-CG 4.43Å; V243-L278 CarbonylContact O-C 3.58Å; V243-L278 WeakPolarHBondContact O-CA 3.48Å; M275-L278 WeakPolarHBondContact O-CD1 3.2Å; M275-L278 PolarHBondContact O-N 3.43Å; M275-L278 VanDerWaalsContact O-N 3.15Å; L278-I340 HydrophobicContact CD2-CD1 4.34Å; L278-I340 HydrophobicContact CD2-CG2 4.1Å; L278-L343 HydrophobicContact CD2-CB 4.02Å; L278-L343 HydrophobicContact CD2-CD1 4.44Å; L278-M344 HydrophobicContact CB-CE 4.07Å; L278-M344 HydrophobicContact CB-SD 4.06Å; L278-M344 HydrophobicContact CD2-CE 4.22Å; L278-M344 HydrophobicContact CD2-SD 4.5Å; L278-M344 HydrophobicContact CG-CE 4.45Å; L278-Y348 HydrophobicContact CB-CE2 4.46Å; L278-Y348 PolarHBondContact O-OH 3.49Å
279S90.9Very high82.6Confident0 Ų046 Ų460%023%0.232CC..  trans-121.1132.2178.2179.60000109.6N83 V243 L244 A245 Q281 M344N83-S279 WeakPolarHBondContact OD1-CA 3.31Å; N83-S279 WeakPolarHBondContact OD1-CB 3.4Å; N83-S279 PolarHBondContact OD1-OG 3.5Å; V243-S279 PolarHBondContact O-N 2.98Å; L244-S279 CarbonylContact C-O 3.51Å; A245-S279 PolarHBondContact N-O 2.89Å; A245-S279 VanDerWaalsContact N-O 3.14Å; S279-Q281 PolarHBondContact O-N 2.96Å; S279-Q281 VanDerWaalsContact O-N 3.13Å; S279-Q281 WeakPolarHBondContact OG-CG 3.44Å; S279-Q281 PolarHBondContact OG-N 3.12Å; S279-Q281 PolarHBondContact OG-OE1 3.05Å; S279-M344 WeakPolarHBondContact O-CE 3.42Å
280P89.2Confident81.6Confident3 Ų349.2 Ų49.22%0.01925%0.247CC..  trans-73.34.1176.730.9-35.1000113.8M344 Y348 H353P280-M344 HydrophobicContact CB-CG 3.97Å; P280-M344 HydrophobicContact CB-SD 4.25Å; P280-Y348 HydrophobicContact CB-CD2 4.41Å; P280-Y348 HydrophobicContact CG-CD2 4.31Å; P280-Y348 HydrophobicContact CG-CG 4.22Å; P280-H353 VanDerWaalsContact CB-CD2 3.48Å; P280-H353 WeakPolarHBondContact CB-CD2 3.38Å
281Q85.7Confident80.9Confident68 Ų6851 Ų5132%0.31826%0.255SS..  trans-71.6142.8178.5-68.6169.8-25.300111.7A245 S279A245-Q281 PolarHBondContact N-O 3.38Å; S279-Q281 PolarHBondContact O-N 2.96Å; S279-Q281 VanDerWaalsContact O-N 3.13Å; S279-Q281 WeakPolarHBondContact OG-CG 3.44Å; S279-Q281 PolarHBondContact OG-N 3.12Å; S279-Q281 PolarHBondContact OG-OE1 3.05Å
282F82.6Confident80.3Confident117 Ų11756.5 Ų56.551%0.51328%0.279SS..  trans-99.5147.4176-79.7-84.8000112.1A245 N284A245-F282 HydrophobicContact CB-CD1 4.17Å; A245-F282 HydrophobicContact CB-CD2 4.09Å; A245-F282 HydrophobicContact CB-CE1 3.84Å; A245-F282 HydrophobicContact CB-CE2 3.75Å; A245-F282 HydrophobicContact CB-CG 4.29Å; A245-F282 HydrophobicContact CB-CZ 3.62Å; F282-N284 PolarHBondContact O-N 3.25Å
283P73.8Confident79.8Confident33 Ų3358 Ų5821%0.21429%0.288CS..SBendtrans-79.856.7179.732-31.7000114.9L244 N246 F289 Y319L244-P283 HydrophobicContact CD1-CB 3.78Å; L244-P283 HydrophobicContact CD1-CG 4.01Å; N246-P283 VanDerWaalsContact ND2-CG 3.29Å; N246-P283 WeakPolarHBondContact ND2-CG 3.36Å; P283-F289 VanDerWaalsContact CA-CE2 3.5Å; P283-F289 HydrophobicContact CB-CE1 4.2Å; P283-F289 HydrophobicContact CB-CE2 3.97Å; P283-F289 HydrophobicContact CB-CZ 3.73Å; P283-Y319 HydrophobicContact CB-CE2 4.35Å
284N65.2Low79.5Confident139 Ų13961.4 Ų61.474%0.74331%0.312SS*.  trans-93.5-19.7-178.3-63.1-4.6000113.3F282F282-N284 PolarHBondContact O-N 3.25Å
285E62Low79.2Confident133 Ų13363.7 Ų63.762%0.62133%0.326SS*.  trans-114.687.1-178.3-66.3-178.6179.900111.1D287 T288 F289E285-D287 PolarHBondContact O-N 3.4Å; E285-D287 VanDerWaalsContact O-N 3.1Å; E285-T288 PolarHBondContact O-N 2.77Å; E285-T288 VanDerWaalsContact O-N 3.17Å; E285-T288 PolarHBondContact OE2-OG1 3.49Å; E285-F289 WeakPolarHBondContact O-CD2 3.42Å; E285-F289 WeakPolarHBondContact O-CE2 3.48Å
286E55Low78.9Confident162 Ų16268.1 Ų68.176%0.75735%0.347SS*.Hα-helixtrans-52-33.3-177.4-68-176.4172.700113.8T288 F289E286-T288 PolarHBondContact O-N 3.41Å; E286-F289 PolarHBondContact O-N 3.22Å
287D53.7Low78.5Confident157 Ų15772.5 Ų72.584%0.8437%0.367SS*.Hα-helixtrans-70.4-27.6-176.9-83-20.6000114E285E285-D287 PolarHBondContact O-N 3.4Å; E285-D287 VanDerWaalsContact O-N 3.1Å
288T62Low78.3Confident82 Ų8275.6 Ų75.650%0.50339%0.387SS..Hα-helixtrans-87.2-9.4-179-48.20000112.4E285 E286E285-T288 PolarHBondContact O-N 2.77Å; E285-T288 VanDerWaalsContact O-N 3.17Å; E285-T288 PolarHBondContact OE2-OG1 3.49Å; E286-T288 PolarHBondContact O-N 3.41Å
289F69.3Low78Confident26 Ų2677.3 Ų77.311%0.11440%0.396CS..Hα-helixtrans-74.5-40.9-174.4-84.1-76.6000113.7L244 R250 P283 E285 E286L244-F289 HydrophobicContact CD1-CD1 4.39Å; L244-F289 HydrophobicContact CD1-CE1 3.55Å; L244-F289 HydrophobicContact CD1-CZ 4.19Å; L244-F289 HydrophobicContact CD2-CE1 4.13Å; L244-F289 HydrophobicContact CG-CE1 4.5Å; R250-F289 WeakPolarHBondContact CD-O 3.45Å; P283-F289 VanDerWaalsContact CA-CE2 3.5Å; P283-F289 HydrophobicContact CB-CE1 4.2Å; P283-F289 HydrophobicContact CB-CE2 3.97Å; P283-F289 HydrophobicContact CB-CZ 3.73Å; E285-F289 WeakPolarHBondContact O-CD2 3.42Å; E285-F289 WeakPolarHBondContact O-CE2 3.48Å; E286-F289 PolarHBondContact O-N 3.22Å
290H77Confident77.9Confident69 Ų6979.8 Ų79.832%0.31941%0.412SS..  trans-91.3120.2-172.4-57119000110.7F292 F317H290-F292 HydrophobicContact CB-CE2 3.94Å; H290-F292 HydrophobicContact CB-CZ 4.02Å; H290-F292 PolarHBondContact O-N 3.07Å; H290-F317 PolarHBondContact CD2-O 3.38Å; H290-F317 VanDerWaalsContact CD2-O 3.27Å
291K82.4Confident77.8Confident46 Ų4687.7 Ų87.720%0.245%0.446CS..  trans-80.5114.9167.5-174.9-176.4177.5-176.10108.6G25 V316 F317G25-K291 WeakPolarHBondContact O-CE 3.38Å; G25-K291 PolarHBondContact O-NZ 2.89Å; K291-V316 PolarHBondContact O-N 3Å; K291-F317 HydrophobicContact CB-CD2 3.67Å; K291-F317 HydrophobicContact CB-CE2 3.95Å; K291-F317 HydrophobicContact CD-CE2 4.06Å
292F84.6Confident77.9Confident114 Ų11490.3 Ų90.350%0.547%0.467SS..BIsolated β-bridgetrans-88.1137.9170-63.4-81000110.6H290 H313 C314 P315H290-F292 HydrophobicContact CB-CE2 3.94Å; H290-F292 HydrophobicContact CB-CZ 4.02Å; H290-F292 PolarHBondContact O-N 3.07Å; F292-H313 HydrophobicContact CD1-CB 4.4Å; F292-H313 HydrophobicContact CE1-CB 4.18Å; F292-C314 WeakPolarHBondContact CA-O 3.48Å; F292-P315 HydrophobicContact CD1-CB 4.39Å; F292-P315 HydrophobicContact CE1-CB 4.14Å
293V85.3Confident77.8Confident31 Ų3189.1 Ų89.119%0.18846%0.463CS..  trans-116.8175.7172.4-133.60000110.4F201 P295 C314 V316F201-V293 HydrophobicContact CZ-CG2 3.98Å; V293-P295 WeakPolarHBondContact O-CD 3.45Å; V293-C314 PolarHBondContact N-O 2.91Å; V293-V316 HydrophobicContact CB-CG2 4.39Å; V293-V316 HydrophobicContact CG2-CB 4.38Å; V293-V316 HydrophobicContact CG2-CG2 2.88Å
294S86.8Confident77.9Confident76 Ų7689.8 Ų89.853%0.53148%0.476SS..  trans-47.5127.2170.9-176.90000110.9H296S294-H296 PolarHBondContact O-N 3.38Å; S294-H296 PolarHBondContact OG-N 3.33Å
295P85.8Confident78.8Confident49 Ų4991.2 Ų91.232%0.31848%0.478SS..G310 helixtrans-65.3-4.9176.6-24.335.3000115.2V293 E297 V298 L299 V312V293-P295 WeakPolarHBondContact O-CD 3.45Å; P295-E297 PolarHBondContact O-N 2.86Å; P295-E297 VanDerWaalsContact O-N 3.12Å; P295-V298 PolarHBondContact O-N 2.83Å; P295-L299 PolarHBondContact O-N 3.15Å; P295-V312 HydrophobicContact CB-CB 3.82Å; P295-V312 HydrophobicContact CB-CG1 3.75Å; P295-V312 HydrophobicContact CG-CB 4.45Å; P295-V312 VanDerWaalsContact CG-O 3.26Å; P295-V312 WeakPolarHBondContact CG-O 3.31Å
296H87.5Confident80Confident104 Ų10489 Ų8948%0.48147%0.47SS..G310 helixtrans-49.4-38.4-178.6175.3-93.8000113.9S294 V298 L299 P300S294-H296 PolarHBondContact O-N 3.38Å; S294-H296 PolarHBondContact OG-N 3.33Å; H296-V298 VanDerWaalsContact C-N 3.3Å; H296-V298 PolarHBondContact O-N 3.25Å; H296-L299 WeakPolarHBondContact CA-O 3.43Å; H296-L299 CarbonylContact O-C 3.33Å; H296-P300 WeakPolarHBondContact O-CA 3.4Å
297E84.6Confident81.3Confident98 Ų9883.8 Ų83.846%0.45845%0.447SS..G310 helixtrans-71.3-26.8-178.9-61.8-69.4153.900112.7P200 F201 P295P200-E297 HydrophobicContact CB-CB 3.97Å; P200-E297 WeakPolarHBondContact CB-O 3.42Å; P200-E297 HydrophobicContact CG-CB 3.99Å; F201-E297 HydrophobicContact CD1-CG 3.9Å; F201-E297 HydrophobicContact CE1-CB 4.25Å; F201-E297 HydrophobicContact CE1-CG 3.53Å; F201-E297 HydrophobicContact CZ-CG 4.21Å; P295-E297 PolarHBondContact O-N 2.86Å; P295-E297 VanDerWaalsContact O-N 3.12Å
298V87.5Confident82.7Confident75 Ų7581 Ų8146%0.45544%0.44SS..THydrogen-bonded Turntrans-88.3-45.4177.5179.40000110.2P200 P295 H296 V312 C314P200-V298 HydrophobicContact CB-CG2 4.09Å; P200-V298 HydrophobicContact CG-CG2 3.93Å; P295-V298 PolarHBondContact O-N 2.83Å; H296-V298 VanDerWaalsContact C-N 3.3Å; H296-V298 PolarHBondContact O-N 3.25Å; V298-V312 HydrophobicContact CB-CG1 3.89Å; V298-V312 HydrophobicContact CG1-CG1 3.73Å; V298-C314 HydrophobicContact CG2-CB 3.81Å
299L88.1Confident84.1Confident41 Ų4185.7 Ų85.722%0.21545%0.453CS..SBendtrans-135.2110.3178.5-170.466000109P295 H296 E303 L307 V312P295-L299 PolarHBondContact O-N 3.15Å; H296-L299 WeakPolarHBondContact CA-O 3.43Å; H296-L299 CarbonylContact O-C 3.33Å; L299-E303 HydrophobicContact CD1-CB 4.13Å; L299-E303 HydrophobicContact CD1-CG 4Å; L299-E303 HydrophobicContact CG-CB 4.38Å; L299-L307 HydrophobicContact CB-CD2 4.47Å; L299-L307 HydrophobicContact CD2-CD2 3.54Å; L299-L307 HydrophobicContact CD2-CG 4.11Å; L299-L307 HydrophobicContact CG-CD2 3.98Å; L299-V312 HydrophobicContact CB-CG1 4.45Å; L299-V312 HydrophobicContact CB-CG2 4.31Å; L299-V312 HydrophobicContact CD2-CG2 3.95Å
300P88.1Confident85.2Confident53 Ų5388 Ų8834%0.34447%0.469SS..  trans-67152.1-177.827.7-34.8000110.9H296 T302 E303H296-P300 WeakPolarHBondContact O-CA 3.4Å; P300-T302 PolarHBondContact O-N 3.29Å; P300-E303 HydrophobicContact CG-CG 4.36Å; P300-E303 PolarHBondContact O-N 2.84Å
301F86.4Confident85.8Confident168 Ų16890.7 Ų90.774%0.73749%0.486SS*.THydrogen-bonded Turntrans-62.7-16.1-178.2-171.6-102.3000113.6E303 L307F301-E303 PolarHBondContact O-N 3.29Å; F301-L307 HydrophobicContact CD2-CD1 4.12Å
302T88.3Confident86Confident123 Ų12389.8 Ų89.876%0.75548%0.484SS*.THydrogen-bonded Turntrans-63.5-21178.249.30000113.6P300 G304P300-T302 PolarHBondContact O-N 3.29Å; T302-G304 PolarHBondContact O-N 3.05Å; T302-G304 VanDerWaalsContact O-N 3.08Å
303E80.9Confident86.2Confident92 Ų9289.9 Ų89.943%0.4349%0.486SS..  trans-83.333.2-177.8-67.6-67163.700113.7L299 P300 F301 E305 I306L299-E303 HydrophobicContact CD1-CB 4.13Å; L299-E303 HydrophobicContact CD1-CG 4Å; L299-E303 HydrophobicContact CG-CB 4.38Å; P300-E303 HydrophobicContact CG-CG 4.36Å; P300-E303 PolarHBondContact O-N 2.84Å; F301-E303 PolarHBondContact O-N 3.29Å; E303-E305 VanDerWaalsContact C-N 3.29Å; E303-E305 PolarHBondContact O-N 2.99Å; E303-I306 PolarHBondContact O-N 3.36Å
304G75.7Confident86.3Confident47 Ų4788.5 Ų88.549%0.48548%0.478SS..Hα-helixtrans-42.1-36.9-162.100000118.3T302T302-G304 PolarHBondContact O-N 3.05Å; T302-G304 VanDerWaalsContact O-N 3.08Å
305E83.4Confident86.4Confident170 Ų17086.7 Ų86.779%0.79446%0.464SS*.Hα-helixtrans-68.8-36.3-178.5-65-171.9175.500113.1E303 S308E303-E305 VanDerWaalsContact C-N 3.29Å; E303-E305 PolarHBondContact O-N 2.99Å; E305-S308 PolarHBondContact O-OG 3.46Å; E305-S308 VanDerWaalsContact O-OG 3.06Å
306I87.3Confident86.5Confident87 Ų8785.8 Ų85.845%0.44646%0.457SS..Hα-helixtrans-82.4-32.4-174.9-59.4172.5000110.8E303 S308 K309 V310E303-I306 PolarHBondContact O-N 3.36Å; I306-S308 PolarHBondContact O-N 3.38Å; I306-S308 VanDerWaalsContact O-N 3.16Å; I306-K309 PolarHBondContact O-N 3.3Å; I306-V310 HydrophobicContact CG2-CB 4.41Å; I306-V310 HydrophobicContact CG2-CG2 3.58Å; I306-V310 PolarHBondContact O-N 2.89Å
307L83.3Confident86.5Confident52 Ų5281.9 Ų81.927%0.27244%0.439SS..Hα-helixtrans-58.4-29.8-179-75.5165.2000113.4L299 F301 K309L299-L307 HydrophobicContact CB-CD2 4.47Å; L299-L307 HydrophobicContact CD2-CD2 3.54Å; L299-L307 HydrophobicContact CD2-CG 4.11Å; L299-L307 HydrophobicContact CG-CD2 3.98Å; F301-L307 HydrophobicContact CD2-CD1 4.12Å; L307-K309 VanDerWaalsContact C-N 3.26Å; L307-K309 PolarHBondContact O-N 2.89Å
308S83.3Confident86.8Confident98 Ų9878.6 Ų78.669%0.68542%0.424SS*.THydrogen-bonded Turntrans-72.5-16.5177.467.10000114.2E305 I306E305-S308 PolarHBondContact O-OG 3.46Å; E305-S308 VanDerWaalsContact O-OG 3.06Å; I306-S308 PolarHBondContact O-N 3.38Å; I306-S308 VanDerWaalsContact O-N 3.16Å
309K90.6Very high87Confident181 Ų18177.5 Ų77.579%0.78741%0.413SS*.THydrogen-bonded Turntrans-115-15.2-172.2-63.3177.4-174.9169.90113.8I306 L307I306-K309 PolarHBondContact O-N 3.3Å; L307-K309 VanDerWaalsContact C-N 3.26Å; L307-K309 PolarHBondContact O-N 2.89Å
310V91.5Very high87.3Confident75 Ų7575.6 Ų75.646%0.45540%0.402SS..  trans-114.6135.9-174.2-178.30000109.9I306 V312I306-V310 HydrophobicContact CG2-CB 4.41Å; I306-V310 HydrophobicContact CG2-CG2 3.58Å; I306-V310 PolarHBondContact O-N 2.89Å; V310-V312 HydrophobicContact CG1-CG2 3.89Å
311N89.6Confident87.5Confident125 Ų12573.9 Ų73.967%0.66839%0.391SS*.  trans-92.7118.2168.9-175.316.8000109H313N311-H313 PolarHBondContact ND2-CE1 3.37Å; N311-H313 PolarHBondContact ND2-NE2 2.81Å
312V88.3Confident87.8Confident26 Ų2667.2 Ų67.216%0.15837%0.365CS..  trans-111.8122.4-176.5-173.50000109P295 V298 L299 V310P295-V312 HydrophobicContact CB-CB 3.82Å; P295-V312 HydrophobicContact CB-CG1 3.75Å; P295-V312 HydrophobicContact CG-CB 4.45Å; P295-V312 VanDerWaalsContact CG-O 3.26Å; P295-V312 WeakPolarHBondContact CG-O 3.31Å; V298-V312 HydrophobicContact CB-CG1 3.89Å; V298-V312 HydrophobicContact CG1-CG1 3.73Å; L299-V312 HydrophobicContact CB-CG1 4.45Å; L299-V312 HydrophobicContact CB-CG2 4.31Å; L299-V312 HydrophobicContact CD2-CG2 3.95Å; V310-V312 HydrophobicContact CG1-CG2 3.89Å
313H88.4Confident88.1Confident117 Ų11767 Ų6754%0.54236%0.355SS..  trans-108.8135.1175.4-65.7-65.5000110.4F292 N311F292-H313 HydrophobicContact CD1-CB 4.4Å; F292-H313 HydrophobicContact CE1-CB 4.18Å; N311-H313 PolarHBondContact ND2-CE1 3.37Å; N311-H313 PolarHBondContact ND2-NE2 2.81Å
314C87.6Confident88.8Confident2 Ų263.4 Ų63.41%0.01434%0.339CS..  trans-124.384.5176.7-176.10000109.9F292 V293 V298F292-C314 WeakPolarHBondContact CA-O 3.48Å; V293-C314 PolarHBondContact N-O 2.91Å; V298-C314 HydrophobicContact CG2-CB 3.81Å
315P89.1Confident89.8Confident37 Ų3761.7 Ų61.724%0.2432%0.319CS..BIsolated β-bridgetrans-74.6131.9170.729.7-31.1000110.3N253 F292N253-P315 PolarHBondContact ND2-O 2.78Å; F292-P315 HydrophobicContact CD1-CB 4.39Å; F292-P315 HydrophobicContact CE1-CB 4.14Å
316V86.4Confident90.4Very high30 Ų3057.2 Ų57.218%0.18230%0.303CS..  trans-86.4-35.4176-175.40000112F201 V252 N253 K291 V293F201-V316 HydrophobicContact CE2-CG2 4.2Å; F201-V316 HydrophobicContact CZ-CG2 4.41Å; V252-V316 CarbonylContact C-O 3.27Å; N253-V316 PolarHBondContact N-O 3.16Å; K291-V316 PolarHBondContact O-N 3Å; V293-V316 HydrophobicContact CB-CG2 4.39Å; V293-V316 HydrophobicContact CG2-CB 4.38Å; V293-V316 HydrophobicContact CG2-CG2 2.88Å
317F88.7Confident90.8Very high23 Ų2355 Ų5510%0.10129%0.292CS..EExtended strand (participates in β ladder)trans-113.1155.2-174.7-60.5-56.7000110.1Q241 R250 A251 H290 K291Q241-F317 HydrophobicContact CB-CD1 4.3Å; Q241-F317 HydrophobicContact CB-CE1 3.9Å; Q241-F317 HydrophobicContact CB-CZ 4.44Å; Q241-F317 HydrophobicContact CG-CE1 3.88Å; Q241-F317 HydrophobicContact CG-CZ 3.92Å; R250-F317 HydrophobicContact CG-CB 3.83Å; R250-F317 HydrophobicContact CG-CG 4.33Å; A251-F317 CarbonylContact O-C 3.56Å; A251-F317 WeakPolarHBondContact O-CA 3.46Å; A251-F317 WeakPolarHBondContact O-CB 3.43Å; A251-F317 WeakPolarHBondContact O-CD1 3.48Å; H290-F317 PolarHBondContact CD2-O 3.38Å; H290-F317 VanDerWaalsContact CD2-O 3.27Å; K291-F317 HydrophobicContact CB-CD2 3.67Å; K291-F317 HydrophobicContact CB-CE2 3.95Å; K291-F317 HydrophobicContact CD-CE2 4.06Å
318D90.2Very high91.4Very high28 Ų2852.9 Ų52.915%0.1528%0.28CS..EExtended strand (participates in β ladder)trans-138.4148.3-177.8-174.212.9000108.7R250 A251 H256R250-D318 WeakPolarHBondContact CA-O 3.35Å; A251-D318 PolarHBondContact N-O 2.75Å; A251-D318 PolarHBondContact O-N 3.47Å; H256-D318 VanDerWaalsContact CB-CG 3.47Å; H256-D318 WeakPolarHBondContact CB-OD2 3.33Å; H256-D318 PolarHBondContact N-OD2 2.9Å
319Y91.9Very high92.1Very high53 Ų5348.2 Ų48.221%0.20825%0.248CC..EExtended strand (participates in β ladder)trans-97.8122.7-178.4177.8-110.5000109.9L244 N246 L249 H256 P283 P321L244-Y319 HydrophobicContact CD1-CD2 4.16Å; L244-Y319 HydrophobicContact CD1-CE2 3.65Å; N246-Y319 PolarHBondContact ND2-OH 3.38Å; L249-Y319 WeakPolarHBondContact O-CD2 3.25Å; H256-Y319 PolarHBondContact ND1-O 3.4Å; P283-Y319 HydrophobicContact CB-CE2 4.35Å; Y319-P321 HydrophobicContact CE1-CB 4.07Å
320V93.3Very high92.2Very high0 Ų039.9 Ų39.90%021%0.212CC..EExtended strand (participates in β ladder)trans-110.9122.5174-173.90000108.8G248 L249 T255 H256 A259 L324G248-V320 WeakPolarHBondContact CA-O 3.36Å; L249-V320 HydrophobicContact CD1-CB 3.36Å; L249-V320 HydrophobicContact CD1-CG1 4.31Å; L249-V320 HydrophobicContact CD1-CG2 3.37Å; L249-V320 HydrophobicContact CD2-CB 4.39Å; L249-V320 HydrophobicContact CG-CB 3.67Å; L249-V320 HydrophobicContact CG-CG1 4.37Å; L249-V320 HydrophobicContact CG-CG2 4.25Å; L249-V320 PolarHBondContact N-O 3.35Å; L249-V320 PolarHBondContact O-N 3.38Å; T255-V320 HydrophobicContact CG2-CG2 3.92Å; H256-V320 HydrophobicContact CB-CG2 4.12Å; A259-V320 HydrophobicContact CB-CG1 3.52Å; V320-L324 HydrophobicContact CG1-CB 4.18Å; V320-L324 HydrophobicContact CG1-CD1 4.09Å
321P93.2Very high92.2Very high17 Ų1737.1 Ų37.111%0.1120%0.195CC..  trans-74.2154.2-176.834.4-39.9000111.5Y319 E323 L324Y319-P321 HydrophobicContact CE1-CB 4.07Å; P321-E323 VanDerWaalsContact C-N 3.27Å; P321-E323 VanDerWaalsContact CB-OE1 3.28Å; P321-E323 WeakPolarHBondContact CB-OE1 3.46Å; P321-E323 WeakPolarHBondContact CB-OE2 3.19Å; P321-E323 WeakPolarHBondContact CG-OE1 3.49Å; P321-E323 PolarHBondContact O-N 2.6Å; P321-L324 HydrophobicContact CG-CD1 3.84Å; P321-L324 HydrophobicContact CG-CG 4.02Å; P321-L324 PolarHBondContact O-N 3.05Å
322P93.7Very high92.2Very high28 Ų2835.5 Ų35.518%0.18219%0.186CC..G310 helixtrans-61.1-29.5-171.722.5-32.9000114.4N246 L324 I325N246-P322 WeakPolarHBondContact O-CB 3.01Å; N246-P322 WeakPolarHBondContact O-CG 3.02Å; P322-L324 PolarHBondContact O-N 2.8Å; P322-I325 PolarHBondContact O-N 3.37Å; P322-I325 VanDerWaalsContact O-N 3.11Å
323E94.6Very high92.4Very high119 Ų11935 Ų3556%0.55619%0.185SC*.G310 helixtrans-68.5-16.2-177.262.8-88.8-16600115K263 P321K263-E323 PolarHBondContact NZ-O 3.45Å; P321-E323 VanDerWaalsContact C-N 3.27Å; P321-E323 VanDerWaalsContact CB-OE1 3.28Å; P321-E323 WeakPolarHBondContact CB-OE1 3.46Å; P321-E323 WeakPolarHBondContact CB-OE2 3.19Å; P321-E323 WeakPolarHBondContact CG-OE1 3.49Å; P321-E323 PolarHBondContact O-N 2.6Å
324L95.8Very high92.6Very high16 Ų1631.3 Ų31.38%0.08418%0.179CC..G310 helixtrans-87.2-14.7175.6-57.4-178.7000112.1A259 K263 V320 P321 P322A259-L324 HydrophobicContact CB-CB 4.01Å; A259-L324 HydrophobicContact CB-CD1 3.81Å; K263-L324 HydrophobicContact CB-CD2 3.72Å; K263-L324 HydrophobicContact CD-CD2 4.17Å; K263-L324 HydrophobicContact CG-CD2 3.74Å; V320-L324 HydrophobicContact CG1-CB 4.18Å; V320-L324 HydrophobicContact CG1-CD1 4.09Å; P321-L324 HydrophobicContact CG-CD1 3.84Å; P321-L324 HydrophobicContact CG-CG 4.02Å; P321-L324 PolarHBondContact O-N 3.05Å; P322-L324 PolarHBondContact O-N 2.8Å
325I95.9Very high93Very high11 Ų1132.7 Ų32.76%0.05619%0.185CC..  trans-91.1134.3-175.5-54.3164.8000109.4G247 L249 L269 V271 P322 F328 P337G247-I325 WeakPolarHBondContact O-CD1 3.29Å; L249-I325 HydrophobicContact CB-CD1 4.37Å; L249-I325 HydrophobicContact CD2-CD1 3.36Å; L249-I325 HydrophobicContact CD2-CG1 3.77Å; L249-I325 HydrophobicContact CG-CD1 3.83Å; L269-I325 HydrophobicContact CD2-CB 4.22Å; L269-I325 HydrophobicContact CD2-CG1 3.99Å; L269-I325 HydrophobicContact CD2-CG2 4.14Å; V271-I325 HydrophobicContact CG2-CG2 3.7Å; P322-I325 PolarHBondContact O-N 3.37Å; P322-I325 VanDerWaalsContact O-N 3.11Å; I325-F328 HydrophobicContact CB-CE2 4.49Å; I325-F328 HydrophobicContact CD1-CE1 4.42Å; I325-F328 HydrophobicContact CD1-CE2 4.23Å; I325-F328 HydrophobicContact CD1-CZ 3.62Å; I325-F328 HydrophobicContact CG2-CD2 4.18Å; I325-F328 HydrophobicContact CG2-CE1 4.4Å; I325-F328 HydrophobicContact CG2-CE2 3.74Å; I325-F328 HydrophobicContact CG2-CZ 3.88Å; I325-P337 HydrophobicContact CB-CG 4Å; I325-P337 HydrophobicContact CG2-CG 3.99Å; I325-P337 WeakPolarHBondContact O-CG 3.4Å
326T95.7Very high93.2Very high76 Ų7632.9 Ų32.947%0.46619%0.19SC..  trans-97.8-47.4178.5-48.80000111.6P268 L269P268-T326 HydrophobicContact CB-CG2 4.19Å; L269-T326 PolarHBondContact N-OG1 3.21Å; L269-T326 VanDerWaalsContact N-OG1 3.13Å; L269-T326 WeakPolarHBondContact O-CB 3.47Å; L269-T326 PolarHBondContact O-N 2.64Å
327L96.4Very high93.4Very high42 Ų4232.8 Ų32.822%0.2219%0.19CC..EExtended strand (participates in β ladder)trans-146.9136.3-173.1-173.770.8000111.4L269 I270 V271 I329L269-L327 PolarHBondContact O-N 3.34Å; L269-L327 VanDerWaalsContact O-N 3.17Å; I270-L327 CarbonylContact C-O 3.44Å; I270-L327 WeakPolarHBondContact CA-O 3.49Å; I270-L327 HydrophobicContact CG1-CB 4.45Å; V271-L327 PolarHBondContact N-O 3.32Å; L327-I329 HydrophobicContact CD2-CG1 4.27Å
328F96.2Very high93.6Very high6 Ų635.9 Ų35.93%0.02622%0.215CC..EExtended strand (participates in β ladder)trans-98.3130.9166.3-72.8-81.7000110V243 G247 V271 I325 G334 H335 P337 I340V243-F328 HydrophobicContact CG1-CE1 3.98Å; V243-F328 HydrophobicContact CG1-CZ 4.03Å; V243-F328 HydrophobicContact CG2-CD1 4.43Å; V243-F328 HydrophobicContact CG2-CE1 3.86Å; G247-F328 WeakPolarHBondContact O-CZ 3.35Å; V271-F328 HydrophobicContact CB-CD1 3.73Å; V271-F328 HydrophobicContact CB-CE1 3.91Å; V271-F328 HydrophobicContact CG1-CD1 4Å; V271-F328 HydrophobicContact CG1-CE1 3.95Å; V271-F328 HydrophobicContact CG2-CD1 4.38Å; V271-F328 HydrophobicContact CG2-CE1 4.19Å; V271-F328 WeakPolarHBondContact O-CA 3.45Å; I325-F328 HydrophobicContact CB-CE2 4.49Å; I325-F328 HydrophobicContact CD1-CE1 4.42Å; I325-F328 HydrophobicContact CD1-CE2 4.23Å; I325-F328 HydrophobicContact CD1-CZ 3.62Å; I325-F328 HydrophobicContact CG2-CD2 4.18Å; I325-F328 HydrophobicContact CG2-CE1 4.4Å; I325-F328 HydrophobicContact CG2-CE2 3.74Å; I325-F328 HydrophobicContact CG2-CZ 3.88Å; F328-G334 CarbonylContact O-C 3.54Å; F328-G334 VanDerWaalsContact O-CA 3.25Å; F328-G334 WeakPolarHBondContact O-CA 3.35Å; F328-H335 PolarHBondContact N-O 2.96Å; F328-H335 PolarHBondContact O-N 3.29Å; F328-P337 HydrophobicContact CD2-CB 4.43Å; F328-P337 HydrophobicContact CD2-CG 4.19Å; F328-P337 HydrophobicContact CE2-CB 3.86Å; F328-P337 HydrophobicContact CE2-CG 3.85Å; F328-I340 HydrophobicContact CB-CD1 4.5Å; F328-I340 HydrophobicContact CD2-CD1 3.83Å; F328-I340 HydrophobicContact CD2-CG1 3.97Å; F328-I340 HydrophobicContact CE2-CD1 4.14Å; F328-I340 HydrophobicContact CE2-CG1 3.9Å; F328-I340 HydrophobicContact CG-CD1 4.08Å
329I96.1Very high93.7Very high0 Ų038 Ų380%022%0.221CC..EExtended strand (participates in β ladder)trans-106.6115.7170.8-62.2-178.8000107.6I155 Q158 H162 F181 I270 V271 A273 L327I155-I329 HydrophobicContact CG2-CG2 3.98Å; Q158-I329 VanDerWaalsContact OE1-CG2 3.28Å; H162-I329 WeakPolarHBondContact CD2-CD1 3.43Å; F181-I329 HydrophobicContact CE2-CD1 3.89Å; F181-I329 HydrophobicContact CE2-CG2 4.17Å; F181-I329 HydrophobicContact CZ-CD1 3.64Å; I270-I329 HydrophobicContact CG2-CD1 3.31Å; I270-I329 HydrophobicContact CG2-CG1 3.72Å; V271-I329 PolarHBondContact O-N 2.8Å; A273-I329 PolarHBondContact N-O 3.39Å; L327-I329 HydrophobicContact CD2-CG1 4.27Å
330S93.9Very high93.7Very high6 Ų635.7 Ų35.74%0.04221%0.213CC..EExtended strand (participates in β ladder)trans-121.6175.1179.872.70000110.7Q158 A273 I332 G333 H335Q158-S330 PolarHBondContact NE2-O 3.46Å; Q158-S330 PolarHBondContact OE1-O 3.21Å; A273-S330 WeakPolarHBondContact O-CA 3.01Å; S330-I332 PolarHBondContact O-N 2.98Å; S330-I332 WeakPolarHBondContact OG-CG1 3.47Å; S330-G333 PolarHBondContact N-O 2.91Å; S330-G333 PolarHBondContact O-N 3.35Å; S330-G333 VanDerWaalsContact O-N 3.14Å; S330-G333 PolarHBondContact OG-O 2.85Å; S330-H335 PolarHBondContact OG-CD2 3.27Å
331N91.2Very high93.5Very high18 Ų1843.3 Ų43.310%0.09624%0.242CC..THydrogen-bonded Turntrans-63.4-24.8179.346.9-60.2000114.2E147 T151 N154 M275E147-N331 PolarHBondContact OE1-ND2 3.43Å; T151-N331 HydrophobicContact CG2-CB 4.01Å; N154-N331 HydrophobicContact CB-CB 4.12Å; M275-N331 WeakPolarHBondContact CB-OD1 3.33Å; M275-N331 WeakPolarHBondContact CG-OD1 3.48Å; M275-N331 PolarHBondContact N-OD1 2.86Å; M275-N331 PolarHBondContact SD-ND2 3.41Å; M275-N331 PolarHBondContact SD-OD1 2.65Å
332I90.1Very high93.4Very high91 Ų9147.8 Ų47.847%0.46726%0.257SS..THydrogen-bonded Turntrans-89.6-12.6177.454.4167.2000113M275 S330 H335 L343M275-I332 HydrophobicContact CE-CD1 3.76Å; M275-I332 HydrophobicContact CE-CG1 4.3Å; M275-I332 HydrophobicContact CE-CG2 4.38Å; M275-I332 HydrophobicContact SD-CB 4.26Å; M275-I332 HydrophobicContact SD-CD1 3.85Å; M275-I332 HydrophobicContact SD-CG1 3.69Å; M275-I332 HydrophobicContact SD-CG2 3.63Å; S330-I332 PolarHBondContact O-N 2.98Å; S330-I332 WeakPolarHBondContact OG-CG1 3.47Å; I332-H335 WeakPolarHBondContact CD1-NE2 3.48Å; I332-H335 VanDerWaalsContact CG1-NE2 3.28Å; I332-H335 WeakPolarHBondContact CG1-NE2 3.46Å; I332-L343 HydrophobicContact CD1-CD1 4.47Å; I332-L343 HydrophobicContact CD1-CD2 3.56Å
333G91.6Very high93.2Very high14 Ų1446.6 Ų46.614%0.14425%0.249CC..EExtended strand (participates in β ladder)trans138.1-169.7179.600000114.4S330 H335S330-G333 PolarHBondContact N-O 2.91Å; S330-G333 PolarHBondContact O-N 3.35Å; S330-G333 VanDerWaalsContact O-N 3.14Å; S330-G333 PolarHBondContact OG-O 2.85Å; G333-H335 PolarHBondContact O-CD2 2.86Å
334G93.9Very high93Very high41 Ų4141.3 Ų41.342%0.42323%0.225SC..EExtended strand (participates in β ladder)trans-82.5126.8176.300000112.6F328F328-G334 CarbonylContact O-C 3.54Å; F328-G334 VanDerWaalsContact O-CA 3.25Å; F328-G334 WeakPolarHBondContact O-CA 3.35Å
335H94.7Very high92.6Very high30 Ų3044.3 Ų44.314%0.13925%0.247CC..EExtended strand (participates in β ladder)trans-129143.8179.5-62.8-66.4000112.3F328 S330 I332 G333 Y339F328-H335 PolarHBondContact N-O 2.96Å; F328-H335 PolarHBondContact O-N 3.29Å; S330-H335 PolarHBondContact OG-CD2 3.27Å; I332-H335 WeakPolarHBondContact CD1-NE2 3.48Å; I332-H335 VanDerWaalsContact CG1-NE2 3.28Å; I332-H335 WeakPolarHBondContact CG1-NE2 3.46Å; G333-H335 PolarHBondContact O-CD2 2.86Å; H335-Y339 HydrophobicContact CB-CD1 4.13Å; H335-Y339 AromaticContact CE1-CD1 3.91Å; H335-Y339 AromaticContact CE1-CE1 3.74Å; H335-Y339 AromaticContact CG-CD1 3.75Å; H335-Y339 AromaticContact ND1-CD1 3.24Å; H335-Y339 WeakPolarHBondContact ND1-CD1 3.41Å; H335-Y339 AromaticContact ND1-CE1 3.54Å
336A93.4Very high92.3Very high42 Ų4247 Ų4735%0.34726%0.259SS..  trans-72.415416900000110.6S338 Y339A336-S338 PolarHBondContact O-N 2.85Å; A336-S338 VanDerWaalsContact O-N 3.16Å; A336-Y339 WeakPolarHBondContact O-CB 3.26Å; A336-Y339 PolarHBondContact O-N 3.49Å
337P92Very high92Very high27 Ų2744.6 Ų44.618%0.17524%0.243CC..G310 helixtrans-54.6-34.1174.4-25.833.6000113.6I325 F328 Y339 I340I325-P337 HydrophobicContact CB-CG 4Å; I325-P337 HydrophobicContact CG2-CG 3.99Å; I325-P337 WeakPolarHBondContact O-CG 3.4Å; F328-P337 HydrophobicContact CD2-CB 4.43Å; F328-P337 HydrophobicContact CD2-CG 4.19Å; F328-P337 HydrophobicContact CE2-CB 3.86Å; F328-P337 HydrophobicContact CE2-CG 3.85Å; P337-Y339 PolarHBondContact O-N 3.49Å; P337-I340 WeakPolarHBondContact O-CB 3.35Å; P337-I340 VanDerWaalsContact O-CG1 3.3Å; P337-I340 WeakPolarHBondContact O-CG1 3.33Å; P337-I340 PolarHBondContact O-N 2.97Å
338S91.8Very high91.9Very high89 Ų8942.7 Ų42.762%0.62223%0.233SC*.G310 helixtrans-66.6-16.3175.957.40000113.9A336 Y341A336-S338 PolarHBondContact O-N 2.85Å; A336-S338 VanDerWaalsContact O-N 3.16Å; S338-Y341 WeakPolarHBondContact O-CD1 3.27Å; S338-Y341 WeakPolarHBondContact O-CE1 3.5Å
339Y93Very high91.5Very high73 Ų7344 Ų4429%0.28624%0.239SC..G310 helixtrans-87.5-12.1177.2-166.2-102.3000112.4H335 A336 P337 Y341 R342 L343H335-Y339 HydrophobicContact CB-CD1 4.13Å; H335-Y339 AromaticContact CE1-CD1 3.91Å; H335-Y339 AromaticContact CE1-CE1 3.74Å; H335-Y339 AromaticContact CG-CD1 3.75Å; H335-Y339 AromaticContact ND1-CD1 3.24Å; H335-Y339 WeakPolarHBondContact ND1-CD1 3.41Å; H335-Y339 AromaticContact ND1-CE1 3.54Å; A336-Y339 WeakPolarHBondContact O-CB 3.26Å; A336-Y339 PolarHBondContact O-N 3.49Å; P337-Y339 PolarHBondContact O-N 3.49Å; Y339-Y341 VanDerWaalsContact C-N 3.27Å; Y339-Y341 PolarHBondContact O-N 2.84Å; Y339-R342 HydrophobicContact CD2-CB 4.41Å; Y339-R342 HydrophobicContact CE2-CB 4.28Å; Y339-R342 HydrophobicContact CE2-CG 4.21Å; Y339-R342 WeakPolarHBondContact O-CB 3.39Å; Y339-R342 PolarHBondContact O-N 2.74Å; Y339-R342 PolarHBondContact OH-NE 3.03Å; Y339-L343 HydrophobicContact CD1-CD1 4.03Å; Y339-L343 HydrophobicContact CD1-CD2 4.16Å; Y339-L343 HydrophobicContact CD1-CG 3.72Å; Y339-L343 HydrophobicContact CE1-CD1 4.36Å; Y339-L343 HydrophobicContact CE1-CD2 3.66Å; Y339-L343 HydrophobicContact CE1-CG 3.73Å; Y339-L343 PolarHBondContact O-N 3.26Å
340I91.2Very high91.1Very high4 Ų448.2 Ų48.22%0.02127%0.267CS..Hα-helixtrans-60.8-34.9-177-62.1-62.5000112V243 L278 F328 P337 R342 L343 M344V243-I340 HydrophobicContact CG1-CG2 4.21Å; L278-I340 HydrophobicContact CD2-CD1 4.34Å; L278-I340 HydrophobicContact CD2-CG2 4.1Å; F328-I340 HydrophobicContact CB-CD1 4.5Å; F328-I340 HydrophobicContact CD2-CD1 3.83Å; F328-I340 HydrophobicContact CD2-CG1 3.97Å; F328-I340 HydrophobicContact CE2-CD1 4.14Å; F328-I340 HydrophobicContact CE2-CG1 3.9Å; F328-I340 HydrophobicContact CG-CD1 4.08Å; P337-I340 WeakPolarHBondContact O-CB 3.35Å; P337-I340 VanDerWaalsContact O-CG1 3.3Å; P337-I340 WeakPolarHBondContact O-CG1 3.33Å; P337-I340 PolarHBondContact O-N 2.97Å; I340-R342 PolarHBondContact O-N 2.96Å; I340-L343 HydrophobicContact CD1-CD1 4.26Å; I340-L343 PolarHBondContact O-N 2.99Å; I340-M344 HydrophobicContact CG2-CE 4.03Å; I340-M344 WeakPolarHBondContact O-CB 3.37Å; I340-M344 PolarHBondContact O-N 3.45Å
341Y89.2Confident90.6Very high159 Ų15954 Ų5462%0.62429%0.293SS*.Hα-helixtrans-60.4-38176.980.9-95.8000111.7S338 Y339 M344 S345S338-Y341 WeakPolarHBondContact O-CD1 3.27Å; S338-Y341 WeakPolarHBondContact O-CE1 3.5Å; Y339-Y341 VanDerWaalsContact C-N 3.27Å; Y339-Y341 PolarHBondContact O-N 2.84Å; Y341-M344 WeakPolarHBondContact O-CB 3.31Å; Y341-M344 PolarHBondContact O-N 3.32Å; Y341-S345 PolarHBondContact O-N 3.33Å
342R90.7Very high90.4Very high111 Ų11153.1 Ų53.142%0.41929%0.288SS..Hα-helixtrans-71-44.6-179.4177.2164.7173.5158.55110.5Y339 I340 M344 S345 E346Y339-R342 HydrophobicContact CD2-CB 4.41Å; Y339-R342 HydrophobicContact CE2-CB 4.28Å; Y339-R342 HydrophobicContact CE2-CG 4.21Å; Y339-R342 WeakPolarHBondContact O-CB 3.39Å; Y339-R342 PolarHBondContact O-N 2.74Å; Y339-R342 PolarHBondContact OH-NE 3.03Å; I340-R342 PolarHBondContact O-N 2.96Å; R342-M344 PolarHBondContact O-N 3.22Å; R342-S345 WeakPolarHBondContact O-CB 3.36Å; R342-S345 PolarHBondContact O-N 3.45Å; R342-S345 VanDerWaalsContact O-N 3.13Å; R342-E346 HydrophobicContact CG-CG 4.44Å; R342-E346 WeakPolarHBondContact CG-OE1 3.34Å; R342-E346 IonicContact CZ-OE1 2.94Å; R342-E346 IonicContact NE-OE1 3.73Å; R342-E346 PolarHBondContact NE-OE1 2.83Å; R342-E346 IonicContact NH2-OE1 3.88Å; R342-E346 WeakPolarHBondContact O-CG 3.45Å; R342-E346 PolarHBondContact O-N 2.79Å
343L90.9Very high90.1Very high3 Ų352.1 Ų52.12%0.01628%0.281CS..Hα-helixtrans-57.8-38.6171.6-67.7178.4000111.5M275 L278 I332 Y339 I340 E346 L347M275-L343 HydrophobicContact CE-CD2 4.47Å; L278-L343 HydrophobicContact CD2-CB 4.02Å; L278-L343 HydrophobicContact CD2-CD1 4.44Å; I332-L343 HydrophobicContact CD1-CD1 4.47Å; I332-L343 HydrophobicContact CD1-CD2 3.56Å; Y339-L343 HydrophobicContact CD1-CD1 4.03Å; Y339-L343 HydrophobicContact CD1-CD2 4.16Å; Y339-L343 HydrophobicContact CD1-CG 3.72Å; Y339-L343 HydrophobicContact CE1-CD1 4.36Å; Y339-L343 HydrophobicContact CE1-CD2 3.66Å; Y339-L343 HydrophobicContact CE1-CG 3.73Å; Y339-L343 PolarHBondContact O-N 3.26Å; I340-L343 HydrophobicContact CD1-CD1 4.26Å; I340-L343 PolarHBondContact O-N 2.99Å; L343-E346 PolarHBondContact O-N 3.17Å; L343-L347 VanDerWaalsContact O-CB 3.27Å; L343-L347 WeakPolarHBondContact O-CB 3.22Å; L343-L347 WeakPolarHBondContact O-CG 3.34Å; L343-L347 PolarHBondContact O-N 3.24Å
344M89.4Confident89.5Confident9 Ų959.9 Ų59.94%0.04431%0.314CS..Hα-helixtrans-63.8-43.5177-145.767.278.500111.5A245 L278 S279 P280 I340 Y341 R342 E346 L347 Y348A245-M344 HydrophobicContact CB-CE 4.34Å; L278-M344 HydrophobicContact CB-CE 4.07Å; L278-M344 HydrophobicContact CB-SD 4.06Å; L278-M344 HydrophobicContact CD2-CE 4.22Å; L278-M344 HydrophobicContact CD2-SD 4.5Å; L278-M344 HydrophobicContact CG-CE 4.45Å; S279-M344 WeakPolarHBondContact O-CE 3.42Å; P280-M344 HydrophobicContact CB-CG 3.97Å; P280-M344 HydrophobicContact CB-SD 4.25Å; I340-M344 HydrophobicContact CG2-CE 4.03Å; I340-M344 WeakPolarHBondContact O-CB 3.37Å; I340-M344 PolarHBondContact O-N 3.45Å; Y341-M344 WeakPolarHBondContact O-CB 3.31Å; Y341-M344 PolarHBondContact O-N 3.32Å; R342-M344 PolarHBondContact O-N 3.22Å; M344-E346 VanDerWaalsContact C-N 3.32Å; M344-E346 PolarHBondContact O-N 3.17Å; M344-L347 PolarHBondContact O-N 3.14Å; M344-Y348 HydrophobicContact CG-CD2 3.86Å; M344-Y348 WeakPolarHBondContact O-CB 3.48Å; M344-Y348 PolarHBondContact O-N 3.22Å; M344-Y348 HydrophobicContact SD-CD2 3.41Å; M344-Y348 WeakPolarHBondContact SD-CD2 3.41Å; M344-Y348 HydrophobicContact SD-CE2 3.5Å; M344-Y348 WeakPolarHBondContact SD-CE2 3.37Å
345S88.4Confident88.4Confident78 Ų7859.7 Ų59.755%0.54530%0.303SS..Hα-helixtrans-66-32.7175.1-168.90000113K90 Y341 R342K90-S345 PolarHBondContact NZ-O 3.3Å; Y341-S345 PolarHBondContact O-N 3.33Å; R342-S345 WeakPolarHBondContact O-CB 3.36Å; R342-S345 PolarHBondContact O-N 3.45Å; R342-S345 VanDerWaalsContact O-N 3.13Å
346E89.6Confident88.1Confident68 Ų6861.2 Ų61.232%0.31831%0.311SS..Hα-helixtrans-76.9-26.5176.3-73.1171.6-171.700111.9K90 R342 L343 M344K90-E346 WeakPolarHBondContact CE-O 3.44Å; K90-E346 PolarHBondContact NZ-O 2.55Å; R342-E346 HydrophobicContact CG-CG 4.44Å; R342-E346 WeakPolarHBondContact CG-OE1 3.34Å; R342-E346 IonicContact CZ-OE1 2.94Å; R342-E346 IonicContact NE-OE1 3.73Å; R342-E346 PolarHBondContact NE-OE1 2.83Å; R342-E346 IonicContact NH2-OE1 3.88Å; R342-E346 WeakPolarHBondContact O-CG 3.45Å; R342-E346 PolarHBondContact O-N 2.79Å; L343-E346 PolarHBondContact O-N 3.17Å; M344-E346 VanDerWaalsContact C-N 3.32Å; M344-E346 PolarHBondContact O-N 3.17Å
347L89.4Confident87.8Confident25 Ų2562.2 Ų62.213%0.13131%0.309CS..Hα-helixtrans-101.1-25.9-176.8-67.6178.9000115.7K90 M275 L343 M344K90-L347 WeakPolarHBondContact CD-O 3.44Å; M275-L347 HydrophobicContact CB-CD1 4.41Å; M275-L347 HydrophobicContact CE-CD1 3.76Å; M275-L347 HydrophobicContact CE-CD2 3.82Å; M275-L347 HydrophobicContact CE-CG 4.12Å; L343-L347 VanDerWaalsContact O-CB 3.27Å; L343-L347 WeakPolarHBondContact O-CB 3.22Å; L343-L347 WeakPolarHBondContact O-CG 3.34Å; L343-L347 PolarHBondContact O-N 3.24Å; M344-L347 PolarHBondContact O-N 3.14Å
348Y92.3Very high87.6Confident3 Ų364.2 Ų64.21%0.01232%0.317CS..SBendtrans-126.6155.6-175.4-58.8-66.4000110.7N83 R86 R87 K90 L278 P280 M344N83-Y348 WeakPolarHBondContact O-CE1 3.4Å; R86-Y348 HydrophobicContact CB-CD1 3.49Å; R86-Y348 VanDerWaalsContact CB-CD1 3.49Å; R86-Y348 HydrophobicContact CB-CE1 3.75Å; R87-Y348 HydrophobicContact CG-CD1 4.46Å; R87-Y348 HydrophobicContact CG-CE1 3.72Å; K90-Y348 PolarHBondContact NZ-O 3.35Å; K90-Y348 VanDerWaalsContact NZ-O 3.08Å; L278-Y348 HydrophobicContact CB-CE2 4.46Å; L278-Y348 PolarHBondContact O-OH 3.49Å; P280-Y348 HydrophobicContact CB-CD2 4.41Å; P280-Y348 HydrophobicContact CG-CD2 4.31Å; P280-Y348 HydrophobicContact CG-CG 4.22Å; M344-Y348 HydrophobicContact CG-CD2 3.86Å; M344-Y348 WeakPolarHBondContact O-CB 3.48Å; M344-Y348 PolarHBondContact O-N 3.22Å; M344-Y348 HydrophobicContact SD-CD2 3.41Å; M344-Y348 WeakPolarHBondContact SD-CD2 3.41Å; M344-Y348 HydrophobicContact SD-CE2 3.5Å; M344-Y348 WeakPolarHBondContact SD-CE2 3.37Å
349H89.7Confident87.3Confident34 Ų3462.7 Ų62.716%0.15730%0.299CS..  trans-97.8138.1171.8-170.5-87.5000108.5E351 D352H349-E351 VanDerWaalsContact C-N 3.26Å; H349-E351 IonicContact CE1-OE2 3.43Å; H349-E351 WeakPolarHBondContact ND1-CB 3.08Å; H349-E351 PolarHBondContact ND1-N 3.36Å; H349-E351 PolarHBondContact O-N 3.24Å; H349-D352 PolarHBondContact O-N 3.41Å
350P86.2Confident87Confident88 Ų8862.1 Ų62.157%0.57130%0.3SS*.G310 helixtrans-60.1-32.7-174.821.9-33.9000113.7D352 H353P350-D352 PolarHBondContact O-N 3.01Å; P350-H353 PolarHBondContact O-N 3.14Å
351E84.5Confident86.7Confident126 Ų12665.9 Ų65.959%0.58932%0.318SS*.G310 helixtrans-68.9-16.5177.1-65.1178.517900114.1R93 H349R93-E351 IonicContact CZ-OE2 2.64Å; R93-E351 IonicContact NH1-OE2 2.86Å; R93-E351 PolarHBondContact NH1-OE2 3.14Å; R93-E351 IonicContact NH2-OE2 3.97Å; R93-E351 PolarHBondContact NH2-OE2 2.94Å; H349-E351 VanDerWaalsContact C-N 3.26Å; H349-E351 IonicContact CE1-OE2 3.43Å; H349-E351 WeakPolarHBondContact ND1-CB 3.08Å; H349-E351 PolarHBondContact ND1-N 3.36Å; H349-E351 PolarHBondContact O-N 3.24Å
352D86Confident86.5Confident0 Ų059.3 Ų59.30%030%0.297CS..G310 helixtrans-104.813.9-176.3-60.7-58000111.7R65 R86 L89 R93 H349 P350 E354R65-D352 IonicContact CZ-OD1 2.75Å; R65-D352 IonicContact NE-OD1 3.82Å; R65-D352 PolarHBondContact NE-OD1 3.31Å; R65-D352 VanDerWaalsContact NE-OD1 3.1Å; R65-D352 IonicContact NH2-OD1 3.74Å; R65-D352 PolarHBondContact NH2-OD1 3.32Å; R65-D352 IonicContact NH2-OD2 3.72Å; R86-D352 WeakPolarHBondContact CD-O 3.24Å; R86-D352 VanDerWaalsContact CG-O 3.31Å; R86-D352 WeakPolarHBondContact CG-O 3.23Å; R86-D352 PolarHBondContact NE-O 3.44Å; L89-D352 HydrophobicContact CD1-CB 4.36Å; R93-D352 IonicContact CZ-OD2 3.53Å; R93-D352 IonicContact NE-OD2 3.71Å; R93-D352 PolarHBondContact NE-OD2 2.94Å; R93-D352 IonicContact NH2-OD1 2.73Å; R93-D352 IonicContact NH2-OD2 3.15Å; R93-D352 PolarHBondContact NH2-OD2 3.04Å; H349-D352 PolarHBondContact O-N 3.41Å; P350-D352 PolarHBondContact O-N 3.01Å; D352-E354 VanDerWaalsContact C-N 3.33Å
353H83.6Confident86.2Confident70 Ų7055.3 Ų55.332%0.32429%0.287SS..SBendtrans-61.3-43.6173-71.7-179.5000111.2R86 P280 P350R86-H353 PolarHBondContact NE-O 3.29Å; R86-H353 PolarHBondContact NH2-O 3.48Å; P280-H353 VanDerWaalsContact CB-CD2 3.48Å; P280-H353 WeakPolarHBondContact CB-CD2 3.38Å; P350-H353 PolarHBondContact O-N 3.14Å
354E80Confident85.8Confident178 Ų17859.7 Ų59.783%0.83231%0.31SS*.  trans-95.5123.9169.4-64.2-178.1-174.500109.1D352D352-E354 VanDerWaalsContact C-N 3.33Å
355L70.6Confident85.5Confident37 Ų3764.3 Ų64.319%0.19433%0.334CS..  trans-90.90-177.9-90.2160.6000111.7R69 I85 R86 L89R69-L355 WeakPolarHBondContact CD-O 3.49Å; R69-L355 WeakPolarHBondContact CD-OXT 3.33Å; R69-L355 VanDerWaalsContact CG-C 3.41Å; R69-L355 WeakPolarHBondContact CG-O 3.4Å; R69-L355 WeakPolarHBondContact CG-OXT 3.45Å; R69-L355 PolarHBondContact NH1-OXT 3.31Å; I85-L355 HydrophobicContact CB-CD2 4.43Å; I85-L355 HydrophobicContact CG2-CD2 3.65Å; R86-L355 HydrophobicContact CG-CD1 3.99Å; R86-L355 HydrophobicContact CG-CD2 4.27Å; R86-L355 HydrophobicContact CG-CG 4.07Å; L89-L355 HydrophobicContact CD1-CD2 4.08Å

Retrieved 355 of 355 residues in 221.7 ms (Link to these results)

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