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AP-2 complex subunit beta

Component of the adaptor protein complex 2 (AP-2). Adaptor protein complexes function in protein transport via transport vesicles in different membrane traffic pathways. Adaptor protein complexes are vesicle coat components and appear to be involved in cargo selection and vesicle formation. AP-2 is involved in clathrin-dependent endocytosis in which cargo proteins are incorporated into vesicles surrounded by clathrin (clathrin-coated vesicles, CCVs) which are destined for fusion with the early endosome. The clathrin lattice serves as a mechanical scaffold but is itself unable to bind directly to membrane components. Clathrin-associated adaptor protein (AP) complexes which can bind directly to both the clathrin lattice and to the lipid and protein components of membranes are considered to be the major clathrin adaptors contributing the CCV formation. AP-2 also serves as a cargo receptor to selectively sort the membrane proteins involved in receptor-mediated endocytosis. AP-2 seems to play a role in the recycling of synaptic vesicle membranes from the presynaptic surface. AP-2 recognizes Y-X-X-[FILMV] (Y-X-X-Phi) and [ED]-X-X-X-L-[LI] endocytosis signal motifs within the cytosolic tails of transmembrane cargo molecules. AP-2 may also play a role in maintaining normal post-endocytic trafficking through the ARF6-regulated, non-clathrin pathway. During long-term potentiation in hippocampal neurons, AP-2 is responsible for the endocytosis of ADAM10 (By similarity). The AP-2 beta subunit acts via its C-terminal appendage domain as a scaffolding platform for endocytic accessory proteins; at least some clathrin-associated sorting proteins (CLASPs) are recognized by their [DE]-X(1,2)-F-X-X-[FL]-X-X-X-R motif. The AP-2 beta subunit binds to clathrin heavy chain, promoting clathrin lattice assembly; clathrin displaces at least some CLASPs from AP2B1 which probably then can be positioned for further coat assembly (By similarity).

AlphaFold DB , UniProt , Accession P62944, Species RAT (Rattus norvegicus, Rat), Gene Ap2b1, Length 937 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
1M43.2Very low53.1Low216 Ų216104.6 Ų104.6100%1.06455%0.546SS*.  0123.60-69.1-177.2-14300106.3
2T50.7Low52.4Low111 Ų111114.3 Ų114.368%0.68158%0.58SS**  trans-72.8125.5-174.833.30000110.5S4T2-S4 PolarHBondContact O-N 3.24Å
3D55.1Low52.7Low84 Ų84108.8 Ų108.845%0.44957%0.57SS.*G310 helixtrans-62.9-7.8178.8-72.9-17000112.6K5 Y6D3-K5 PolarHBondContact O-N 3.33Å; D3-Y6 HydrophobicContact CB-CD2 3.93Å; D3-Y6 HydrophobicContact CB-CE2 4.01Å; D3-Y6 WeakPolarHBondContact O-CD2 3.47Å; D3-Y6 PolarHBondContact O-N 2.99Å; D3-Y6 WeakPolarHBondContact OD1-CE2 3.45Å
4S56.8Low53.7Low79 Ų79103.4 Ų103.455%0.55254%0.54SS*.G310 helixtrans-50.4-31.1174.8-44.60000113.7T2 Y6 F7T2-S4 PolarHBondContact O-N 3.24Å; S4-Y6 PolarHBondContact O-N 2.9Å; S4-F7 PolarHBondContact O-N 3.39Å
5K59.9Low54.8Low97 Ų97101.5 Ų101.542%0.42253%0.53SS..G310 helixtrans-58.5-30.5178.467179.2-176.11700113.1D3 F7 T8 E32D3-K5 PolarHBondContact O-N 3.33Å; K5-F7 VanDerWaalsContact C-N 3.25Å; K5-F7 PolarHBondContact O-N 3.18Å; K5-T8 PolarHBondContact O-OG1 3.21Å; K5-E32 IonicContact NZ-OE2 3.39Å; K5-E32 PolarHBondContact NZ-OE2 3.14Å
6Y55.5Low56.1Low22 Ų22105.6 Ų105.69%0.08654%0.543CS..G310 helixtrans-73.1-16.9-177.6-54.5-63.8000113.5D3 S4 E32 K35 K36D3-Y6 HydrophobicContact CB-CD2 3.93Å; D3-Y6 HydrophobicContact CB-CE2 4.01Å; D3-Y6 WeakPolarHBondContact O-CD2 3.47Å; D3-Y6 PolarHBondContact O-N 2.99Å; D3-Y6 WeakPolarHBondContact OD1-CE2 3.45Å; S4-Y6 PolarHBondContact O-N 2.9Å; Y6-E32 WeakPolarHBondContact CE1-OE2 3.47Å; Y6-E32 PolarHBondContact OH-OE1 3.43Å; Y6-E32 PolarHBondContact OH-OE2 3.48Å; Y6-K35 HydrophobicContact CD1-CB 4.47Å; Y6-K35 HydrophobicContact CD2-CB 4.32Å; Y6-K35 HydrophobicContact CE1-CB 4.23Å; Y6-K35 HydrophobicContact CE2-CB 4.11Å; Y6-K35 HydrophobicContact CE2-CD 3.88Å; Y6-K36 HydrophobicContact CD1-CG 3.56Å; Y6-K36 HydrophobicContact CE1-CG 4.18Å; Y6-K36 HydrophobicContact CG-CG 4.49Å
7F59.7Low57.5Low109 Ų109106.5 Ų106.548%0.47854%0.544SS..G310 helixtrans-93.5-1.4-178-64.9-85000113.7S4 K5 A39 T42 V43S4-F7 PolarHBondContact O-N 3.39Å; K5-F7 VanDerWaalsContact C-N 3.25Å; K5-F7 PolarHBondContact O-N 3.18Å; F7-A39 HydrophobicContact CD1-CB 4.03Å; F7-A39 HydrophobicContact CE1-CB 3.82Å; F7-A39 HydrophobicContact CE2-CB 4.34Å; F7-A39 HydrophobicContact CG-CB 4.38Å; F7-A39 HydrophobicContact CZ-CB 3.99Å; F7-T42 HydrophobicContact CE1-CG2 4.37Å; F7-V43 HydrophobicContact CD1-CG2 3.78Å; F7-V43 HydrophobicContact CE1-CG2 4.37Å
8T54.7Low58.8Low97 Ų97100.9 Ų100.960%0.59552%0.516SS*.SBendtrans-99.3-1.5-165.753.50000116.2K5K5-T8 PolarHBondContact O-OG1 3.21Å
9T50.5Low59.9Low66 Ų66100.5 Ų100.541%0.40551%0.51SS..  trans-117127.5-17345.60000114.7E14 K45T9-E14 WeakPolarHBondContact CB-OE1 3.43Å; T9-E14 PolarHBondContact OG1-OE1 3.03Å; T9-K45 PolarHBondContact O-NZ 2.67Å
10N49.5Very low61Low100 Ų10098.5 Ų98.554%0.53551%0.509SS..  trans-12444.5-177.4-85.2-26.7000112.8K45N10-K45 VanDerWaalsContact OD1-CE 3.25Å; N10-K45 WeakPolarHBondContact OD1-CE 3.26Å; N10-K45 PolarHBondContact OD1-NZ 3.37Å
11K48.6Very low62.1Low170 Ų17096.5 Ų96.574%0.73950%0.497SS*.  trans-90.9131.1-179.6-72.3-174.1180177.20112.7G13 E14K11-G13 PolarHBondContact O-N 3.06Å; K11-E14 WeakPolarHBondContact O-CB 3.34Å; K11-E14 PolarHBondContact O-N 2.89Å
12K45Very low63.9Low220 Ų22086.2 Ų86.296%0.95745%0.447SS*.THydrogen-bonded Turntrans-60114.1164.1-81.1-178.1172.3-179.90108.9
13G56.1Low65.4Low43 Ų4384.7 Ų84.744%0.44343%0.434SS..THydrogen-bonded Turntrans131.2-17.4-175.400000113.8K11 I15 F16 E17K11-G13 PolarHBondContact O-N 3.06Å; G13-I15 VanDerWaalsContact C-N 3.34Å; G13-I15 PolarHBondContact O-N 3.05Å; G13-F16 PolarHBondContact O-N 3.24Å; G13-F16 VanDerWaalsContact O-N 3.11Å; G13-E17 PolarHBondContact O-N 2.84Å
14E66.7Low66.6Low34 Ų3482.9 Ų82.916%0.15943%0.425CS..Hα-helixtrans-59.1-36.8-172.9-149.4168.5-146.500113.4T9 K11 F16 E17 L18 K45T9-E14 WeakPolarHBondContact CB-OE1 3.43Å; T9-E14 PolarHBondContact OG1-OE1 3.03Å; K11-E14 WeakPolarHBondContact O-CB 3.34Å; K11-E14 PolarHBondContact O-N 2.89Å; E14-F16 VanDerWaalsContact C-N 3.32Å; E14-F16 PolarHBondContact O-N 3.49Å; E14-E17 PolarHBondContact O-N 3.06Å; E14-L18 HydrophobicContact CG-CD1 4.32Å; E14-L18 HydrophobicContact CG-CG 4.49Å; E14-L18 WeakPolarHBondContact O-CB 3.29Å; E14-L18 WeakPolarHBondContact O-CG 3.49Å; E14-L18 PolarHBondContact O-N 3.23Å; E14-K45 IonicContact OE2-NZ 2.85Å; E14-K45 PolarHBondContact OE2-NZ 3.32Å
15I70.9Confident67.5Low75 Ų7588 Ų8839%0.38544%0.44SS..Hα-helixtrans-62.2-40.1178.5-62.8179.7000111.4G13 L18 K19 S49 L50G13-I15 VanDerWaalsContact C-N 3.34Å; G13-I15 PolarHBondContact O-N 3.05Å; I15-L18 PolarHBondContact O-N 3.24Å; I15-K19 WeakPolarHBondContact O-CB 3.31Å; I15-K19 PolarHBondContact O-N 3.27Å; I15-S49 WeakPolarHBondContact CG2-OG 3.25Å; I15-L50 HydrophobicContact CG2-CD1 4.44Å; I15-L50 HydrophobicContact CG2-CD2 3.81Å; I15-L50 HydrophobicContact CG2-CG 4.06Å
16F75.4Confident68.5Low167 Ų16789.7 Ų89.773%0.73245%0.447SS*.Hα-helixtrans-69.7-39.9178.4-175.4-95000111.4G13 E14 K19 A20G13-F16 PolarHBondContact O-N 3.24Å; G13-F16 VanDerWaalsContact O-N 3.11Å; E14-F16 VanDerWaalsContact C-N 3.32Å; E14-F16 PolarHBondContact O-N 3.49Å; F16-K19 PolarHBondContact O-N 2.65Å; F16-A20 PolarHBondContact O-N 3.23Å; F16-A20 VanDerWaalsContact O-N 3.08Å
17E78.7Confident69.4Low121 Ų12194.1 Ų94.157%0.56547%0.467SS*.Hα-helixtrans-63.3-45.4173.9-67.7-179.9-174.200111.3G13 E14 K19 A20 E21G13-E17 PolarHBondContact O-N 2.84Å; E14-E17 PolarHBondContact O-N 3.06Å; E17-K19 VanDerWaalsContact C-N 3.33Å; E17-K19 PolarHBondContact O-N 3.17Å; E17-A20 WeakPolarHBondContact O-CB 3.29Å; E17-A20 PolarHBondContact O-N 2.78Å; E17-A20 VanDerWaalsContact O-N 3.13Å; E17-E21 WeakPolarHBondContact O-CG 3.48Å; E17-E21 PolarHBondContact O-N 3.42Å
18L80.8Confident70.3Confident6 Ų694.4 Ų94.43%0.03147%0.47CS..Hα-helixtrans-60.9-42.5175.8-71.4171.6000111.1E14 I15 A20 E21 L22 K36 V37 L50E14-L18 HydrophobicContact CG-CD1 4.32Å; E14-L18 HydrophobicContact CG-CG 4.49Å; E14-L18 WeakPolarHBondContact O-CB 3.29Å; E14-L18 WeakPolarHBondContact O-CG 3.49Å; E14-L18 PolarHBondContact O-N 3.23Å; I15-L18 PolarHBondContact O-N 3.24Å; L18-A20 VanDerWaalsContact C-N 3.29Å; L18-A20 PolarHBondContact O-N 3.11Å; L18-E21 PolarHBondContact O-N 3.05Å; L18-E21 VanDerWaalsContact O-N 3.16Å; L18-L22 WeakPolarHBondContact O-CB 3.33Å; L18-L22 WeakPolarHBondContact O-CG 3.18Å; L18-L22 PolarHBondContact O-N 3.23Å; L18-K36 HydrophobicContact CD2-CB 3.53Å; L18-K36 HydrophobicContact CD2-CD 3.73Å; L18-K36 HydrophobicContact CD2-CG 4.31Å; L18-V37 HydrophobicContact CB-CG2 4.4Å; L18-V37 HydrophobicContact CD1-CG2 4.11Å; L18-V37 HydrophobicContact CD2-CG2 4.3Å; L18-L50 HydrophobicContact CB-CD1 3.89Å; L18-L50 HydrophobicContact CD1-CD1 4.22Å
19K80.6Confident71.5Confident93 Ų9394.9 Ų94.940%0.40446%0.463SS..Hα-helixtrans-57.9-41.4174.3-173.9164-175.8158.20112.3I15 F16 E17 N23 L50 D53I15-K19 WeakPolarHBondContact O-CB 3.31Å; I15-K19 PolarHBondContact O-N 3.27Å; F16-K19 PolarHBondContact O-N 2.65Å; E17-K19 VanDerWaalsContact C-N 3.33Å; E17-K19 PolarHBondContact O-N 3.17Å; K19-N23 PolarHBondContact O-N 3.42Å; K19-N23 PolarHBondContact O-ND2 2.99Å; K19-L50 HydrophobicContact CB-CD2 3.7Å; K19-L50 HydrophobicContact CG-CD2 4.37Å; K19-D53 WeakPolarHBondContact CE-OD1 3.18Å; K19-D53 WeakPolarHBondContact CE-OD2 3.34Å; K19-D53 IonicContact NZ-OD2 3.09Å
20A82.3Confident73Confident60 Ų6093.7 Ų93.750%0.49645%0.452SS..Hα-helixtrans-70.4-37.3175.700000112.7F16 E17 L18 N24F16-A20 PolarHBondContact O-N 3.23Å; F16-A20 VanDerWaalsContact O-N 3.08Å; E17-A20 WeakPolarHBondContact O-CB 3.29Å; E17-A20 PolarHBondContact O-N 2.78Å; E17-A20 VanDerWaalsContact O-N 3.13Å; L18-A20 VanDerWaalsContact C-N 3.29Å; L18-A20 PolarHBondContact O-N 3.11Å; A20-N24 PolarHBondContact O-N 3.14Å
21E82.8Confident74.5Confident57 Ų5790.3 Ų90.327%0.26643%0.432SS..Hα-helixtrans-71.2-35.3177.1-68.8-174.7173.600112.8E17 L18 N23 N24 A33 K36E17-E21 WeakPolarHBondContact O-CG 3.48Å; E17-E21 PolarHBondContact O-N 3.42Å; L18-E21 PolarHBondContact O-N 3.05Å; L18-E21 VanDerWaalsContact O-N 3.16Å; E21-N23 VanDerWaalsContact C-N 3.33Å; E21-N24 WeakPolarHBondContact O-CB 3.25Å; E21-N24 PolarHBondContact O-N 3.4Å; E21-A33 HydrophobicContact CB-CB 3.59Å; E21-K36 VanDerWaalsContact CD-NZ 3.27Å; E21-K36 IonicContact OE1-NZ 2.68Å; E21-K36 PolarHBondContact OE1-NZ 3.06Å; E21-K36 IonicContact OE2-NZ 3.21Å; E21-K36 PolarHBondContact OE2-NZ 3.14Å
22L81.7Confident76.1Confident0 Ų084.8 Ų84.80%041%0.409CS..Hα-helixtrans-65.9-34.5175.4-74.2170.6000112.2L18 N24 R30 A33 V34 V37 L50 D53 V54 C57L18-L22 WeakPolarHBondContact O-CB 3.33Å; L18-L22 WeakPolarHBondContact O-CG 3.18Å; L18-L22 PolarHBondContact O-N 3.23Å; L22-N24 VanDerWaalsContact C-N 3.27Å; L22-N24 PolarHBondContact O-N 3.37Å; L22-R30 WeakPolarHBondContact O-CD 3.2Å; L22-R30 VanDerWaalsContact O-CG 3.23Å; L22-R30 WeakPolarHBondContact O-CG 3.43Å; L22-A33 HydrophobicContact CD2-CB 3.84Å; L22-A33 HydrophobicContact CG-CB 4.04Å; L22-V34 HydrophobicContact CD2-CB 4.45Å; L22-V34 HydrophobicContact CD2-CG2 3.47Å; L22-V34 VanDerWaalsContact CD2-CG2 3.47Å; L22-V37 HydrophobicContact CD1-CG2 4.17Å; L22-V37 HydrophobicContact CD2-CG2 4.45Å; L22-L50 HydrophobicContact CD1-CB 4.11Å; L22-L50 HydrophobicContact CD1-CD1 4.17Å; L22-L50 HydrophobicContact CD1-CD2 4.27Å; L22-L50 HydrophobicContact CD1-CG 4.42Å; L22-D53 HydrophobicContact CB-CB 4.19Å; L22-D53 HydrophobicContact CD1-CB 3.9Å; L22-V54 HydrophobicContact CD1-CG2 3.82Å; L22-V54 HydrophobicContact CD2-CG2 4.28Å; L22-C57 PolarHBondContact O-SG 2.96Å; L22-C57 VanDerWaalsContact O-SG 3.4Å
23N81.5Confident78Confident78 Ų7874.3 Ų74.342%0.41736%0.363SS..THydrogen-bonded Turntrans-89.211.9175.6-69.4-60.9000113.2K19 E21 D53K19-N23 PolarHBondContact O-N 3.42Å; K19-N23 PolarHBondContact O-ND2 2.99Å; E21-N23 VanDerWaalsContact C-N 3.33Å; N23-D53 PolarHBondContact ND2-OD1 3.41Å
24N81.1Confident79.4Confident46 Ų4672.3 Ų72.325%0.24634%0.343CS..  trans-69.9140.4179.8-160-80000111.9A20 E21 L22 K26 K29 R30A20-N24 PolarHBondContact O-N 3.14Å; E21-N24 WeakPolarHBondContact O-CB 3.25Å; E21-N24 PolarHBondContact O-N 3.4Å; L22-N24 VanDerWaalsContact C-N 3.27Å; L22-N24 PolarHBondContact O-N 3.37Å; N24-K26 PolarHBondContact O-N 2.69Å; N24-K26 WeakPolarHBondContact OD1-CB 3.44Å; N24-K26 PolarHBondContact OD1-N 3.45Å; N24-K29 HydrophobicContact CB-CB 4.05Å; N24-K29 WeakPolarHBondContact OD1-CD 3.28Å; N24-R30 HydrophobicContact CB-CG 4.46Å; N24-R30 WeakPolarHBondContact O-CD 3.29Å; N24-R30 WeakPolarHBondContact O-CG 3.42Å; N24-R30 PolarHBondContact O-NE 3.08Å
25E76.2Confident80.3Confident186 Ų18672.3 Ų72.387%0.86934%0.342SS*.SBendtrans-61-32.4178-63-177.1166.700112.8K27E25-K27 PolarHBondContact O-N 3.16Å
26K79.5Confident80.9Confident134 Ų13471.7 Ų71.758%0.58334%0.337SS*.SBendtrans-76.6118.4-178.4-63.6-172.2-179.8-172.20111.1N24 E28 K29 R30N24-K26 PolarHBondContact O-N 2.69Å; N24-K26 WeakPolarHBondContact OD1-CB 3.44Å; N24-K26 PolarHBondContact OD1-N 3.45Å; K26-E28 VanDerWaalsContact C-N 3.29Å; K26-E28 PolarHBondContact O-N 3.29Å; K26-K29 HydrophobicContact CB-CB 4.24Å; K26-K29 HydrophobicContact CB-CD 4.39Å; K26-K29 HydrophobicContact CB-CG 4.18Å; K26-K29 HydrophobicContact CD-CD 4.44Å; K26-K29 PolarHBondContact O-N 2.87Å; K26-R30 PolarHBondContact O-N 2.92Å
27K74.7Confident81.4Confident115 Ų11563.8 Ų63.850%0.530%0.302SS..Hα-helixtrans-51.6-42.8177.2-69.6-175.5177.6-174.10113E25 K29 R30 K31E25-K27 PolarHBondContact O-N 3.16Å; K27-K29 PolarHBondContact O-N 2.7Å; K27-R30 PolarHBondContact O-N 3.33Å; K27-K31 PolarHBondContact O-N 3.3Å
28E78.7Confident81.6Confident114 Ų11458.8 Ų58.853%0.53328%0.279SS..Hα-helixtrans-63.5-37.9177.6-67.3-52.8130.100113.1K26 K31 E32K26-E28 VanDerWaalsContact C-N 3.29Å; K26-E28 PolarHBondContact O-N 3.29Å; E28-K31 WeakPolarHBondContact O-CB 3.43Å; E28-K31 PolarHBondContact O-N 3.45Å; E28-E32 WeakPolarHBondContact O-CG 3.4Å; E28-E32 PolarHBondContact O-N 3.45Å
29K81.1Confident81.6Confident107 Ų10758.7 Ų58.747%0.46528%0.279SS..Hα-helixtrans-68.7-39.5177.7-74.8-170.9170-168.70111.6N24 K26 K27 K31 E32 A33N24-K29 HydrophobicContact CB-CB 4.05Å; N24-K29 WeakPolarHBondContact OD1-CD 3.28Å; K26-K29 HydrophobicContact CB-CB 4.24Å; K26-K29 HydrophobicContact CB-CD 4.39Å; K26-K29 HydrophobicContact CB-CG 4.18Å; K26-K29 HydrophobicContact CD-CD 4.44Å; K26-K29 PolarHBondContact O-N 2.87Å; K27-K29 PolarHBondContact O-N 2.7Å; K29-K31 VanDerWaalsContact C-N 3.3Å; K29-K31 PolarHBondContact O-N 2.91Å; K29-E32 PolarHBondContact O-N 3.16Å; K29-A33 WeakPolarHBondContact O-CB 3.28Å; K29-A33 PolarHBondContact O-N 3Å
30R81.5Confident81.7Confident42 Ų4254.7 Ų54.716%0.15826%0.263CS..Hα-helixtrans-61.3-41.5173.3-66.9-167.5-81.9160.7-7.3111.5L22 N24 K26 K27 A33 V34L22-R30 WeakPolarHBondContact O-CD 3.2Å; L22-R30 VanDerWaalsContact O-CG 3.23Å; L22-R30 WeakPolarHBondContact O-CG 3.43Å; N24-R30 HydrophobicContact CB-CG 4.46Å; N24-R30 WeakPolarHBondContact O-CD 3.29Å; N24-R30 WeakPolarHBondContact O-CG 3.42Å; N24-R30 PolarHBondContact O-NE 3.08Å; K26-R30 PolarHBondContact O-N 2.92Å; K27-R30 PolarHBondContact O-N 3.33Å; R30-A33 WeakPolarHBondContact O-CB 3.35Å; R30-A33 PolarHBondContact O-N 3.3Å; R30-V34 WeakPolarHBondContact O-CG2 3.5Å; R30-V34 PolarHBondContact O-N 3.04Å
31K79.9Confident81.7Confident29 Ų2953 Ų5313%0.12625%0.245CC..Hα-helixtrans-59.3-50.1175-178.6-173.5177.1-179.90112.3K27 E28 K29 A33 V34 K35 E64 L65K27-K31 PolarHBondContact O-N 3.3Å; E28-K31 WeakPolarHBondContact O-CB 3.43Å; E28-K31 PolarHBondContact O-N 3.45Å; K29-K31 VanDerWaalsContact C-N 3.3Å; K29-K31 PolarHBondContact O-N 2.91Å; K31-A33 VanDerWaalsContact C-N 3.28Å; K31-A33 PolarHBondContact O-N 3.22Å; K31-V34 PolarHBondContact O-N 2.63Å; K31-K35 WeakPolarHBondContact O-CG 3.48Å; K31-K35 PolarHBondContact O-N 2.92Å; K31-E64 WeakPolarHBondContact CE-OE1 3.31Å; K31-E64 WeakPolarHBondContact CE-OE2 3.39Å; K31-E64 IonicContact NZ-OE1 2.8Å; K31-E64 PolarHBondContact NZ-OE1 2.93Å; K31-E64 IonicContact NZ-OE2 2.91Å; K31-E64 PolarHBondContact NZ-OE2 2.7Å; K31-L65 HydrophobicContact CB-CD1 4.39Å
32E83.3Confident81.6Confident54 Ų5454.9 Ų54.925%0.25226%0.261SS..Hα-helixtrans-60.2-39.1175.1-66.4-67.7110.800111.7K5 Y6 E28 K29 K35 K36K5-E32 IonicContact NZ-OE2 3.39Å; K5-E32 PolarHBondContact NZ-OE2 3.14Å; Y6-E32 WeakPolarHBondContact CE1-OE2 3.47Å; Y6-E32 PolarHBondContact OH-OE1 3.43Å; Y6-E32 PolarHBondContact OH-OE2 3.48Å; E28-E32 WeakPolarHBondContact O-CG 3.4Å; E28-E32 PolarHBondContact O-N 3.45Å; K29-E32 PolarHBondContact O-N 3.16Å; E32-K35 PolarHBondContact O-N 3.04Å; E32-K36 WeakPolarHBondContact O-CG 3.35Å; E32-K36 PolarHBondContact O-N 3.29Å
33A85.2Confident81.6Confident0 Ų058.9 Ų58.90%029%0.285CS..Hα-helixtrans-63.3-47.9177.500000111.7E21 L22 K29 R30 K31 K35 K36 V37E21-A33 HydrophobicContact CB-CB 3.59Å; L22-A33 HydrophobicContact CD2-CB 3.84Å; L22-A33 HydrophobicContact CG-CB 4.04Å; K29-A33 WeakPolarHBondContact O-CB 3.28Å; K29-A33 PolarHBondContact O-N 3Å; R30-A33 WeakPolarHBondContact O-CB 3.35Å; R30-A33 PolarHBondContact O-N 3.3Å; K31-A33 VanDerWaalsContact C-N 3.28Å; K31-A33 PolarHBondContact O-N 3.22Å; A33-K35 VanDerWaalsContact C-N 3.32Å; A33-K35 PolarHBondContact O-N 3.48Å; A33-K36 WeakPolarHBondContact O-CB 3.45Å; A33-K36 PolarHBondContact O-N 3.09Å; A33-V37 WeakPolarHBondContact O-CG2 3.36Å; A33-V37 PolarHBondContact O-N 3.15Å
34V84.3Confident81.3Confident1 Ų158.4 Ų58.41%0.00630%0.298CS..Hα-helixtrans-63-39.3176.7-179.40000110.7L22 R30 K31 K36 V37 I38 C57 L65 L68 V69L22-V34 HydrophobicContact CD2-CB 4.45Å; L22-V34 HydrophobicContact CD2-CG2 3.47Å; L22-V34 VanDerWaalsContact CD2-CG2 3.47Å; R30-V34 WeakPolarHBondContact O-CG2 3.5Å; R30-V34 PolarHBondContact O-N 3.04Å; K31-V34 PolarHBondContact O-N 2.63Å; V34-K36 VanDerWaalsContact C-N 3.34Å; V34-K36 PolarHBondContact O-N 3.47Å; V34-V37 WeakPolarHBondContact O-CB 3.42Å; V34-V37 PolarHBondContact O-N 3.28Å; V34-V37 VanDerWaalsContact O-N 3.16Å; V34-I38 HydrophobicContact CG1-CG1 4.34Å; V34-I38 WeakPolarHBondContact O-CG1 3.48Å; V34-I38 PolarHBondContact O-N 3.21Å; V34-C57 HydrophobicContact CG2-CB 4.35Å; V34-L65 HydrophobicContact CB-CD1 3.85Å; V34-L65 HydrophobicContact CG1-CD1 4.3Å; V34-L65 HydrophobicContact CG2-CD1 3.65Å; V34-L68 HydrophobicContact CG1-CB 3.51Å; V34-L68 HydrophobicContact CG1-CD1 4.36Å; V34-V69 HydrophobicContact CG1-CG2 4.32Å; V34-V69 HydrophobicContact CG2-CG2 4.35Å
35K85.8Confident81.2Confident33 Ų3359.3 Ų59.314%0.14330%0.3CS..Hα-helixtrans-58.4-43.9173.1-74.1-173.2177.8-165.90112.4Y6 K31 E32 A33 I38 A39 E64 L68Y6-K35 HydrophobicContact CD1-CB 4.47Å; Y6-K35 HydrophobicContact CD2-CB 4.32Å; Y6-K35 HydrophobicContact CE1-CB 4.23Å; Y6-K35 HydrophobicContact CE2-CB 4.11Å; Y6-K35 HydrophobicContact CE2-CD 3.88Å; K31-K35 WeakPolarHBondContact O-CG 3.48Å; K31-K35 PolarHBondContact O-N 2.92Å; E32-K35 PolarHBondContact O-N 3.04Å; A33-K35 VanDerWaalsContact C-N 3.32Å; A33-K35 PolarHBondContact O-N 3.48Å; K35-I38 PolarHBondContact O-N 2.88Å; K35-A39 WeakPolarHBondContact O-CB 3.45Å; K35-A39 PolarHBondContact O-N 3.39Å; K35-E64 WeakPolarHBondContact CE-OE1 3.17Å; K35-E64 IonicContact NZ-OE1 2.66Å; K35-E64 PolarHBondContact NZ-OE1 3.4Å; K35-L68 HydrophobicContact CG-CD1 3.58Å
36K84.9Confident81.4Confident63 Ų6355.2 Ų55.227%0.27428%0.284SS..Hα-helixtrans-62.9-40.6174.2-69.4172.4-175.9177.80112.2Y6 L18 E21 E32 A33 V34 A39 A40Y6-K36 HydrophobicContact CD1-CG 3.56Å; Y6-K36 HydrophobicContact CE1-CG 4.18Å; Y6-K36 HydrophobicContact CG-CG 4.49Å; L18-K36 HydrophobicContact CD2-CB 3.53Å; L18-K36 HydrophobicContact CD2-CD 3.73Å; L18-K36 HydrophobicContact CD2-CG 4.31Å; E21-K36 VanDerWaalsContact CD-NZ 3.27Å; E21-K36 IonicContact OE1-NZ 2.68Å; E21-K36 PolarHBondContact OE1-NZ 3.06Å; E21-K36 IonicContact OE2-NZ 3.21Å; E21-K36 PolarHBondContact OE2-NZ 3.14Å; E32-K36 WeakPolarHBondContact O-CG 3.35Å; E32-K36 PolarHBondContact O-N 3.29Å; A33-K36 WeakPolarHBondContact O-CB 3.45Å; A33-K36 PolarHBondContact O-N 3.09Å; V34-K36 VanDerWaalsContact C-N 3.34Å; V34-K36 PolarHBondContact O-N 3.47Å; K36-A39 PolarHBondContact O-N 3.13Å; K36-A40 WeakPolarHBondContact O-CB 3.4Å; K36-A40 PolarHBondContact O-N 3.01Å
37V84.9Confident81.5Confident0 Ų049 Ų490%026%0.258CS..Hα-helixtrans-62-46176173.30000110.8L18 L22 A33 V34 A40 M41 V47 L50 V54 Y72L18-V37 HydrophobicContact CB-CG2 4.4Å; L18-V37 HydrophobicContact CD1-CG2 4.11Å; L18-V37 HydrophobicContact CD2-CG2 4.3Å; L22-V37 HydrophobicContact CD1-CG2 4.17Å; L22-V37 HydrophobicContact CD2-CG2 4.45Å; A33-V37 WeakPolarHBondContact O-CG2 3.36Å; A33-V37 PolarHBondContact O-N 3.15Å; V34-V37 WeakPolarHBondContact O-CB 3.42Å; V34-V37 PolarHBondContact O-N 3.28Å; V34-V37 VanDerWaalsContact O-N 3.16Å; V37-A40 PolarHBondContact O-N 3.44Å; V37-M41 WeakPolarHBondContact O-CB 3.35Å; V37-M41 PolarHBondContact O-N 3.13Å; V37-V47 HydrophobicContact CG1-CB 4.1Å; V37-V47 HydrophobicContact CG1-CG1 4.43Å; V37-V47 HydrophobicContact CG1-CG2 3.88Å; V37-L50 HydrophobicContact CG1-CD1 4.47Å; V37-L50 HydrophobicContact CG2-CD1 3.71Å; V37-V54 HydrophobicContact CG1-CG2 4.34Å; V37-Y72 HydrophobicContact CG1-CD2 3.67Å; V37-Y72 HydrophobicContact CG1-CE2 3.61Å
38I83.2Confident81.7Confident17 Ų1744.5 Ų44.59%0.08724%0.241CC..Hα-helixtrans-63.3-44.1176.5-65.9-61.9000110.9V34 K35 A40 M41 T42 L68 L71V34-I38 HydrophobicContact CG1-CG1 4.34Å; V34-I38 WeakPolarHBondContact O-CG1 3.48Å; V34-I38 PolarHBondContact O-N 3.21Å; K35-I38 PolarHBondContact O-N 2.88Å; I38-A40 VanDerWaalsContact C-N 3.35Å; I38-A40 PolarHBondContact O-N 3.39Å; I38-M41 HydrophobicContact CD1-CE 3.77Å; I38-M41 HydrophobicContact CD1-SD 4.38Å; I38-M41 WeakPolarHBondContact O-CB 3.32Å; I38-M41 PolarHBondContact O-N 3.45Å; I38-T42 PolarHBondContact O-N 2.91Å; I38-T42 PolarHBondContact O-OG1 3.15Å; I38-L68 HydrophobicContact CG1-CB 4.38Å; I38-L68 HydrophobicContact CG1-CD2 4.25Å; I38-L71 HydrophobicContact CD1-CB 4.41Å; I38-L71 HydrophobicContact CD1-CD2 4.29Å; I38-L71 HydrophobicContact CD1-CG 4.31Å; I38-L71 HydrophobicContact CG2-CD2 4.09Å
39A81.1Confident81.9Confident4 Ų442.3 Ų42.33%0.03324%0.238CC..Hα-helixtrans-60.2-44.1175.600000111.9F7 K35 K36 M41 T42 V43F7-A39 HydrophobicContact CD1-CB 4.03Å; F7-A39 HydrophobicContact CE1-CB 3.82Å; F7-A39 HydrophobicContact CE2-CB 4.34Å; F7-A39 HydrophobicContact CG-CB 4.38Å; F7-A39 HydrophobicContact CZ-CB 3.99Å; K35-A39 WeakPolarHBondContact O-CB 3.45Å; K35-A39 PolarHBondContact O-N 3.39Å; K36-A39 PolarHBondContact O-N 3.13Å; A39-M41 VanDerWaalsContact C-N 3.33Å; A39-M41 PolarHBondContact O-N 2.85Å; A39-T42 PolarHBondContact O-N 3.29Å; A39-V43 VanDerWaalsContact O-CG2 3.28Å; A39-V43 WeakPolarHBondContact O-CG2 3.46Å; A39-V43 PolarHBondContact O-N 3.29Å
40A81.8Confident82Confident9 Ų937.2 Ų37.27%0.07422%0.216CC..Hα-helixtrans-61-41.717500000112.1K36 V37 I38 V43 G44 K45 V47K36-A40 WeakPolarHBondContact O-CB 3.4Å; K36-A40 PolarHBondContact O-N 3.01Å; V37-A40 PolarHBondContact O-N 3.44Å; I38-A40 VanDerWaalsContact C-N 3.35Å; I38-A40 PolarHBondContact O-N 3.39Å; A40-V43 PolarHBondContact O-N 2.61Å; A40-G44 PolarHBondContact O-N 3.28Å; A40-K45 HydrophobicContact CB-CB 4.26Å; A40-K45 HydrophobicContact CB-CD 4.11Å; A40-K45 WeakPolarHBondContact O-CB 3.29Å; A40-K45 PolarHBondContact O-N 3.17Å; A40-V47 HydrophobicContact CB-CG1 3.94Å
41M82.7Confident82Confident23 Ų2335.2 Ų35.211%0.11321%0.208CC..Hα-helixtrans-62.3-44.9175-174.8-176.180.300111.8V37 I38 A39 V43 G44 V47 L71 Y72 N75 Y76V37-M41 WeakPolarHBondContact O-CB 3.35Å; V37-M41 PolarHBondContact O-N 3.13Å; I38-M41 HydrophobicContact CD1-CE 3.77Å; I38-M41 HydrophobicContact CD1-SD 4.38Å; I38-M41 WeakPolarHBondContact O-CB 3.32Å; I38-M41 PolarHBondContact O-N 3.45Å; A39-M41 VanDerWaalsContact C-N 3.33Å; A39-M41 PolarHBondContact O-N 2.85Å; M41-V43 VanDerWaalsContact C-N 3.28Å; M41-V43 PolarHBondContact O-N 3.19Å; M41-G44 WeakPolarHBondContact O-CA 3.46Å; M41-G44 PolarHBondContact O-N 3.05Å; M41-V47 HydrophobicContact CB-CG2 3.97Å; M41-V47 HydrophobicContact CG-CG2 4.45Å; M41-L71 HydrophobicContact CE-CG 4.4Å; M41-Y72 HydrophobicContact SD-CD2 4.24Å; M41-N75 HydrophobicContact CE-CB 4.24Å; M41-N75 VanDerWaalsContact CG-ND2 3.3Å; M41-N75 WeakPolarHBondContact CG-ND2 3.31Å; M41-N75 HydrophobicContact SD-CB 3.82Å; M41-N75 PolarHBondContact SD-ND2 3.49Å; M41-Y76 HydrophobicContact CG-CE2 3.87Å; M41-Y76 HydrophobicContact SD-CD2 4.11Å; M41-Y76 HydrophobicContact SD-CE2 3.57Å; M41-Y76 VanDerWaalsContact SD-CE2 3.57Å
42T80.3Confident82Confident98 Ų9836.9 Ų36.960%0.60122%0.222SC*.Hα-helixtrans-64.1-31.5176.9-56.60000112.4F7 I38 A39 G44F7-T42 HydrophobicContact CE1-CG2 4.37Å; I38-T42 PolarHBondContact O-N 2.91Å; I38-T42 PolarHBondContact O-OG1 3.15Å; A39-T42 PolarHBondContact O-N 3.29Å; T42-G44 PolarHBondContact O-N 2.89Å
43V81.2Confident82.1Confident84 Ų8435 Ų3551%0.50921%0.214SC..THydrogen-bonded Turntrans-77.4-5.9173.9177.50000112.2F7 A39 A40 M41F7-V43 HydrophobicContact CD1-CG2 3.78Å; F7-V43 HydrophobicContact CE1-CG2 4.37Å; A39-V43 VanDerWaalsContact O-CG2 3.28Å; A39-V43 WeakPolarHBondContact O-CG2 3.46Å; A39-V43 PolarHBondContact O-N 3.29Å; A40-V43 PolarHBondContact O-N 2.61Å; M41-V43 VanDerWaalsContact C-N 3.28Å; M41-V43 PolarHBondContact O-N 3.19Å
44G76.2Confident82Confident67 Ų6735 Ų3569%0.69121%0.214SC*.THydrogen-bonded Turntrans88.113.2178.400000114.8A40 M41 T42A40-G44 PolarHBondContact O-N 3.28Å; M41-G44 WeakPolarHBondContact O-CA 3.46Å; M41-G44 PolarHBondContact O-N 3.05Å; T42-G44 PolarHBondContact O-N 2.89Å
45K79.9Confident81.8Confident65 Ų6535.9 Ų35.928%0.28322%0.219SC..  trans-73.5136.7171.3-67-179.3180165.70109.8T9 N10 E14 A40 V47T9-K45 PolarHBondContact O-NZ 2.67Å; N10-K45 VanDerWaalsContact OD1-CE 3.25Å; N10-K45 WeakPolarHBondContact OD1-CE 3.26Å; N10-K45 PolarHBondContact OD1-NZ 3.37Å; E14-K45 IonicContact OE2-NZ 2.85Å; E14-K45 PolarHBondContact OE2-NZ 3.32Å; A40-K45 HydrophobicContact CB-CB 4.26Å; A40-K45 HydrophobicContact CB-CD 4.11Å; A40-K45 WeakPolarHBondContact O-CB 3.29Å; A40-K45 PolarHBondContact O-N 3.17Å; K45-V47 PolarHBondContact O-N 3Å
46D79Confident81.6Confident101 Ų10138.2 Ų38.254%0.5423%0.233SC..  trans-74.8107.6172.8-176.215.2000110.9S48D46-S48 VanDerWaalsContact CG-OG 3.28Å; D46-S48 WeakPolarHBondContact OD1-CB 3.45Å; D46-S48 PolarHBondContact OD1-N 3.12Å; D46-S48 PolarHBondContact OD1-OG 3.48Å; D46-S48 PolarHBondContact OD2-OG 2.75Å; D46-S48 VanDerWaalsContact OD2-OG 3.13Å
47V81.9Confident81.5Confident3 Ų335.2 Ų35.22%0.01822%0.22CC..  trans-105.411.3175.6-71.10000112.4V37 A40 M41 K45 S49 L50 Y72 Y76V37-V47 HydrophobicContact CG1-CB 4.1Å; V37-V47 HydrophobicContact CG1-CG1 4.43Å; V37-V47 HydrophobicContact CG1-CG2 3.88Å; A40-V47 HydrophobicContact CB-CG1 3.94Å; M41-V47 HydrophobicContact CB-CG2 3.97Å; M41-V47 HydrophobicContact CG-CG2 4.45Å; K45-V47 PolarHBondContact O-N 3Å; V47-S49 PolarHBondContact O-N 3.01Å; V47-L50 HydrophobicContact CB-CD1 4.28Å; V47-L50 HydrophobicContact CG1-CD1 4.42Å; V47-L50 WeakPolarHBondContact O-CB 3.34Å; V47-L50 PolarHBondContact O-N 3.33Å; V47-Y72 HydrophobicContact CB-CE2 4.4Å; V47-Y72 HydrophobicContact CG2-CD2 4.44Å; V47-Y72 HydrophobicContact CG2-CE2 3.71Å; V47-Y72 PolarHBondContact O-OH 2.95Å; V47-Y76 HydrophobicContact CG2-CE2 3.63Å; V47-Y76 WeakPolarHBondContact CG2-OH 3.44Å; V47-Y76 PolarHBondContact N-OH 3.14Å
48S79.2Confident81.1Confident21 Ų2135.2 Ų35.215%0.14722%0.22CC..G310 helixtrans-53.2-31.9-178.261.70000114D46 L50 F51D46-S48 VanDerWaalsContact CG-OG 3.28Å; D46-S48 WeakPolarHBondContact OD1-CB 3.45Å; D46-S48 PolarHBondContact OD1-N 3.12Å; D46-S48 PolarHBondContact OD1-OG 3.48Å; D46-S48 PolarHBondContact OD2-OG 2.75Å; D46-S48 VanDerWaalsContact OD2-OG 3.13Å; S48-L50 PolarHBondContact O-N 2.99Å; S48-L50 VanDerWaalsContact O-N 3.14Å; S48-F51 VanDerWaalsContact O-CB 3.25Å; S48-F51 WeakPolarHBondContact O-CB 3.38Å; S48-F51 PolarHBondContact O-N 3.12Å
49S82.3Confident80.9Confident67 Ų6741.2 Ų41.247%0.46925%0.248SC..G310 helixtrans-61.7-18.1176.262.60000114.7I15 V47I15-S49 WeakPolarHBondContact CG2-OG 3.25Å; V47-S49 PolarHBondContact O-N 3.01Å
50L83.6Confident80.7Confident0 Ų041.3 Ų41.30%025%0.248CC..G310 helixtrans-89.50.4177.3-59.4177.3000113I15 L18 K19 L22 V37 V47 S48 D53 V54I15-L50 HydrophobicContact CG2-CD1 4.44Å; I15-L50 HydrophobicContact CG2-CD2 3.81Å; I15-L50 HydrophobicContact CG2-CG 4.06Å; L18-L50 HydrophobicContact CB-CD1 3.89Å; L18-L50 HydrophobicContact CD1-CD1 4.22Å; K19-L50 HydrophobicContact CB-CD2 3.7Å; K19-L50 HydrophobicContact CG-CD2 4.37Å; L22-L50 HydrophobicContact CD1-CB 4.11Å; L22-L50 HydrophobicContact CD1-CD1 4.17Å; L22-L50 HydrophobicContact CD1-CD2 4.27Å; L22-L50 HydrophobicContact CD1-CG 4.42Å; V37-L50 HydrophobicContact CG1-CD1 4.47Å; V37-L50 HydrophobicContact CG2-CD1 3.71Å; V47-L50 HydrophobicContact CB-CD1 4.28Å; V47-L50 HydrophobicContact CG1-CD1 4.42Å; V47-L50 WeakPolarHBondContact O-CB 3.34Å; V47-L50 PolarHBondContact O-N 3.33Å; S48-L50 PolarHBondContact O-N 2.99Å; S48-L50 VanDerWaalsContact O-N 3.14Å; L50-D53 WeakPolarHBondContact O-CB 3.32Å; L50-D53 PolarHBondContact O-N 3.17Å; L50-V54 HydrophobicContact CB-CG2 4.18Å; L50-V54 WeakPolarHBondContact O-CG2 3.49Å; L50-V54 PolarHBondContact O-N 3.18Å
51F81.4Confident80.3Confident1 Ų146.8 Ų46.80%0.00428%0.276CS..Hα-helixtrans-51.3-49.8-174.8-164.7-71.8000114.1S48 D53 V54 V55 Y72 L73 Q80 M83 A84S48-F51 VanDerWaalsContact O-CB 3.25Å; S48-F51 WeakPolarHBondContact O-CB 3.38Å; S48-F51 PolarHBondContact O-N 3.12Å; F51-D53 VanDerWaalsContact C-N 3.3Å; F51-D53 PolarHBondContact O-N 2.98Å; F51-V54 PolarHBondContact O-N 3.36Å; F51-V55 HydrophobicContact CD1-CG2 3.6Å; F51-V55 HydrophobicContact CE1-CG2 3.43Å; F51-V55 VanDerWaalsContact CE1-CG2 3.43Å; F51-V55 HydrophobicContact CZ-CG2 4.33Å; F51-V55 WeakPolarHBondContact O-CB 3.48Å; F51-V55 VanDerWaalsContact O-CG2 3.27Å; F51-V55 WeakPolarHBondContact O-CG2 3.42Å; F51-V55 PolarHBondContact O-N 3.17Å; F51-Y72 WeakPolarHBondContact CA-OH 3.44Å; F51-Y72 HydrophobicContact CB-CE1 4.2Å; F51-Y72 AromaticContact CD2-CE1 3.72Å; F51-Y72 HydrophobicContact CD2-CE1 3.72Å; F51-Y72 HydrophobicContact CE2-CE1 4.4Å; F51-Y72 HydrophobicContact CG-CE1 4.1Å; F51-Y72 PolarHBondContact N-OH 3.5Å; F51-L73 HydrophobicContact CE1-CD2 3.81Å; F51-L73 HydrophobicContact CE2-CD2 3.84Å; F51-L73 HydrophobicContact CZ-CD2 3.35Å; F51-Q80 VanDerWaalsContact CB-OE1 3.32Å; F51-Q80 HydrophobicContact CE2-CB 4.46Å; F51-M83 HydrophobicContact CD1-CB 3.61Å; F51-M83 HydrophobicContact CD1-CE 4.1Å; F51-M83 HydrophobicContact CD1-CG 4.41Å; F51-M83 HydrophobicContact CE1-CB 3.4Å; F51-M83 VanDerWaalsContact CE1-CB 3.4Å; F51-M83 HydrophobicContact CG-CB 4.38Å; F51-M83 HydrophobicContact CZ-CB 4.02Å; F51-A84 HydrophobicContact CZ-CB 4.38Å
52P80.8Confident80.3Confident64 Ų6448.4 Ų48.442%0.41629%0.285SS..Hα-helixtrans-61.6-38.5178.2-2.48.3000112.7V55 N56 M83P52-V55 PolarHBondContact O-N 3.05Å; P52-N56 PolarHBondContact O-N 3.32Å; P52-M83 HydrophobicContact CB-CE 3.89Å; P52-M83 HydrophobicContact CG-CE 3.54Å
53D84.6Confident80.3Confident14 Ų1445.7 Ų45.78%0.07527%0.266CS..Hα-helixtrans-69.8-37.7-178.4-56.4-75.2000111.5K19 L22 N23 L50 F51 C57K19-D53 WeakPolarHBondContact CE-OD1 3.18Å; K19-D53 WeakPolarHBondContact CE-OD2 3.34Å; K19-D53 IonicContact NZ-OD2 3.09Å; L22-D53 HydrophobicContact CB-CB 4.19Å; L22-D53 HydrophobicContact CD1-CB 3.9Å; N23-D53 PolarHBondContact ND2-OD1 3.41Å; L50-D53 WeakPolarHBondContact O-CB 3.32Å; L50-D53 PolarHBondContact O-N 3.17Å; F51-D53 VanDerWaalsContact C-N 3.3Å; F51-D53 PolarHBondContact O-N 2.98Å; D53-C57 PolarHBondContact O-N 3.32Å; D53-C57 PolarHBondContact O-SG 3.34Å; D53-C57 VanDerWaalsContact O-SG 3.34Å
54V84.1Confident80.4Confident0 Ų045.4 Ų45.40%026%0.259CS..Hα-helixtrans-71.1-41.3175.2177.20000111.3L22 V37 L50 F51 N56 C57 V69 Y72L22-V54 HydrophobicContact CD1-CG2 3.82Å; L22-V54 HydrophobicContact CD2-CG2 4.28Å; V37-V54 HydrophobicContact CG1-CG2 4.34Å; L50-V54 HydrophobicContact CB-CG2 4.18Å; L50-V54 WeakPolarHBondContact O-CG2 3.49Å; L50-V54 PolarHBondContact O-N 3.18Å; F51-V54 PolarHBondContact O-N 3.36Å; V54-N56 VanDerWaalsContact C-N 3.28Å; V54-N56 PolarHBondContact O-N 3.42Å; V54-C57 WeakPolarHBondContact O-CA 3.43Å; V54-C57 VanDerWaalsContact O-CB 3.3Å; V54-C57 WeakPolarHBondContact O-CB 3.4Å; V54-C57 PolarHBondContact O-N 2.8Å; V54-V69 HydrophobicContact CG1-CB 4.44Å; V54-V69 HydrophobicContact CG1-CG1 4.06Å; V54-V69 HydrophobicContact CG1-CG2 4.23Å; V54-V69 WeakPolarHBondContact O-CG1 3.39Å; V54-Y72 HydrophobicContact CB-CD1 3.97Å; V54-Y72 HydrophobicContact CB-CE1 3.97Å; V54-Y72 HydrophobicContact CB-CG 4.43Å; V54-Y72 HydrophobicContact CG1-CD1 3.51Å; V54-Y72 HydrophobicContact CG1-CD2 4.39Å; V54-Y72 HydrophobicContact CG1-CE1 4.04Å; V54-Y72 HydrophobicContact CG1-CG 3.72Å; V54-Y72 HydrophobicContact CG2-CD1 4.39Å; V54-Y72 HydrophobicContact CG2-CD2 4.43Å; V54-Y72 HydrophobicContact CG2-CE1 4.22Å; V54-Y72 HydrophobicContact CG2-CE2 4.21Å
55V80.3Confident80.7Confident20 Ų2042.3 Ų42.312%0.12123%0.227CC..Hα-helixtrans-60-38.9174.7168.60000111.2F51 P52 C57 M58 L73F51-V55 HydrophobicContact CD1-CG2 3.6Å; F51-V55 HydrophobicContact CE1-CG2 3.43Å; F51-V55 VanDerWaalsContact CE1-CG2 3.43Å; F51-V55 HydrophobicContact CZ-CG2 4.33Å; F51-V55 WeakPolarHBondContact O-CB 3.48Å; F51-V55 VanDerWaalsContact O-CG2 3.27Å; F51-V55 WeakPolarHBondContact O-CG2 3.42Å; F51-V55 PolarHBondContact O-N 3.17Å; P52-V55 PolarHBondContact O-N 3.05Å; V55-C57 PolarHBondContact O-N 3.08Å; V55-M58 HydrophobicContact CG1-CE 4.06Å; V55-M58 WeakPolarHBondContact O-CB 3.49Å; V55-M58 PolarHBondContact O-N 2.87Å; V55-L73 HydrophobicContact CG2-CD2 3.65Å
56N81.7Confident81Confident81 Ų8139.4 Ų39.443%0.43322%0.215SC..Hα-helixtrans-62.6-28.4175.5-16737.1000112.6P52 V54 M58P52-N56 PolarHBondContact O-N 3.32Å; V54-N56 VanDerWaalsContact C-N 3.28Å; V54-N56 PolarHBondContact O-N 3.42Å; N56-M58 PolarHBondContact O-N 2.96Å
57C80.9Confident81.3Confident1 Ų138.5 Ų38.51%0.00721%0.206CC..THydrogen-bonded Turntrans-73-11.4175.3-64.40000113.8L22 V34 D53 V54 V55 Q59 T60 V69L22-C57 PolarHBondContact O-SG 2.96Å; L22-C57 VanDerWaalsContact O-SG 3.4Å; V34-C57 HydrophobicContact CG2-CB 4.35Å; D53-C57 PolarHBondContact O-N 3.32Å; D53-C57 PolarHBondContact O-SG 3.34Å; D53-C57 VanDerWaalsContact O-SG 3.34Å; V54-C57 WeakPolarHBondContact O-CA 3.43Å; V54-C57 VanDerWaalsContact O-CB 3.3Å; V54-C57 WeakPolarHBondContact O-CB 3.4Å; V54-C57 PolarHBondContact O-N 2.8Å; V55-C57 PolarHBondContact O-N 3.08Å; C57-Q59 VanDerWaalsContact C-N 3.27Å; C57-Q59 PolarHBondContact O-N 3.22Å; C57-T60 VanDerWaalsContact O-CG2 3.28Å; C57-T60 WeakPolarHBondContact O-CG2 3.44Å; C57-V69 HydrophobicContact CB-CG2 3.97Å
58M77.8Confident81.4Confident0 Ų039.8 Ų39.80%021%0.213CC..THydrogen-bonded Turntrans-67.5-26.6177.5-167.1165.643.400113.1V55 N56 T60 K66 V69 Y70 L73 A87 S90 F91V55-M58 HydrophobicContact CG1-CE 4.06Å; V55-M58 WeakPolarHBondContact O-CB 3.49Å; V55-M58 PolarHBondContact O-N 2.87Å; N56-M58 PolarHBondContact O-N 2.96Å; M58-T60 PolarHBondContact O-N 2.9Å; M58-K66 PolarHBondContact O-NZ 2.65Å; M58-V69 HydrophobicContact CB-CG1 3.84Å; M58-V69 HydrophobicContact CG-CG1 4.21Å; M58-Y70 HydrophobicContact CG-CD1 4.42Å; M58-Y70 HydrophobicContact CG-CE1 3.73Å; M58-Y70 HydrophobicContact SD-CD1 4.16Å; M58-Y70 HydrophobicContact SD-CE1 3.59Å; M58-Y70 VanDerWaalsContact SD-CE1 3.59Å; M58-L73 HydrophobicContact CE-CD1 4.42Å; M58-L73 HydrophobicContact SD-CD1 3.81Å; M58-A87 HydrophobicContact CE-CB 3.69Å; M58-A87 HydrophobicContact SD-CB 4.48Å; M58-S90 WeakPolarHBondContact CE-OG 3.47Å; M58-F91 HydrophobicContact SD-CE1 4.26Å; M58-F91 HydrophobicContact SD-CZ 4.31Å
59Q78.7Confident81.8Confident143 Ų14338.8 Ų38.867%0.66821%0.206SC*.SBendtrans-7663.2176.5-60.8-1728.600111.1C57C57-Q59 VanDerWaalsContact C-N 3.27Å; C57-Q59 PolarHBondContact O-N 3.22Å
60T77.6Confident81.9Confident5 Ų535.7 Ų35.73%0.03118%0.183CC..  trans-142.4144.7-178.7-166.40000109.8C57 M58 N62 L65 K66C57-T60 VanDerWaalsContact O-CG2 3.28Å; C57-T60 WeakPolarHBondContact O-CG2 3.44Å; M58-T60 PolarHBondContact O-N 2.9Å; T60-N62 HydrophobicContact CG2-CB 4.44Å; T60-N62 PolarHBondContact O-N 2.85Å; T60-L65 HydrophobicContact CG2-CB 3.97Å; T60-L65 HydrophobicContact CG2-CD2 3.85Å; T60-L65 HydrophobicContact CG2-CG 3.91Å; T60-K66 HydrophobicContact CG2-CG 3.94Å; T60-K66 WeakPolarHBondContact O-CE 3.4Å; T60-K66 PolarHBondContact O-NZ 3.44Å
61D73.3Confident82Confident125 Ų12537.4 Ų37.467%0.66819%0.192SC*.SBendtrans-84.4-3.8176-36.7-55.7000111.7L63D61-L63 PolarHBondContact O-N 2.72Å
62N81.7Confident82.2Confident56 Ų5637.4 Ų37.430%0.29919%0.192SC..  trans-77.8111.1-179.5-173.8-52.6000110.6T60 E64 L65 K66T60-N62 HydrophobicContact CG2-CB 4.44Å; T60-N62 PolarHBondContact O-N 2.85Å; N62-E64 VanDerWaalsContact C-N 3.34Å; N62-E64 PolarHBondContact O-N 3.41Å; N62-E64 WeakPolarHBondContact OD1-CB 3.3Å; N62-E64 PolarHBondContact OD1-N 3.38Å; N62-L65 HydrophobicContact CB-CB 4.07Å; N62-L65 PolarHBondContact O-N 2.97Å; N62-L65 PolarHBondContact OD1-N 3.48Å; N62-L65 VanDerWaalsContact OD1-N 3.07Å; N62-K66 PolarHBondContact O-N 2.9Å
63L80.7Confident82.4Confident41 Ų4134.4 Ų34.422%0.21517%0.173CC..Hα-helixtrans-58.4-39.8-178.7-174.968.5000113.5D61 K66 K67 L101 I102 L105D61-L63 PolarHBondContact O-N 2.72Å; L63-K66 PolarHBondContact O-N 3.12Å; L63-K67 WeakPolarHBondContact O-CG 3.32Å; L63-K67 PolarHBondContact O-N 2.98Å; L63-L101 HydrophobicContact CD1-CB 4.26Å; L63-L101 HydrophobicContact CD2-CB 4.28Å; L63-L101 HydrophobicContact CD2-CD1 3.92Å; L63-I102 HydrophobicContact CD1-CG1 3.77Å; L63-L105 HydrophobicContact CD1-CD2 4.25Å
64E83.3Confident82.3Confident78 Ų7835.7 Ų35.736%0.36418%0.179SC..Hα-helixtrans-65.9-43.8179.4-171-175.115600110.7K31 K35 N62 K67 L68K31-E64 WeakPolarHBondContact CE-OE1 3.31Å; K31-E64 WeakPolarHBondContact CE-OE2 3.39Å; K31-E64 IonicContact NZ-OE1 2.8Å; K31-E64 PolarHBondContact NZ-OE1 2.93Å; K31-E64 IonicContact NZ-OE2 2.91Å; K31-E64 PolarHBondContact NZ-OE2 2.7Å; K35-E64 WeakPolarHBondContact CE-OE1 3.17Å; K35-E64 IonicContact NZ-OE1 2.66Å; K35-E64 PolarHBondContact NZ-OE1 3.4Å; N62-E64 VanDerWaalsContact C-N 3.34Å; N62-E64 PolarHBondContact O-N 3.41Å; N62-E64 WeakPolarHBondContact OD1-CB 3.3Å; N62-E64 PolarHBondContact OD1-N 3.38Å; E64-K67 PolarHBondContact O-N 3.37Å; E64-L68 WeakPolarHBondContact O-CG 3.3Å; E64-L68 PolarHBondContact O-N 2.89Å
65L82.8Confident82.2Confident2 Ų239 Ų391%0.0120%0.197CC..Hα-helixtrans-65-43.5176.8-174.453000111.4K31 V34 T60 N62 K67 L68 V69K31-L65 HydrophobicContact CB-CD1 4.39Å; V34-L65 HydrophobicContact CB-CD1 3.85Å; V34-L65 HydrophobicContact CG1-CD1 4.3Å; V34-L65 HydrophobicContact CG2-CD1 3.65Å; T60-L65 HydrophobicContact CG2-CB 3.97Å; T60-L65 HydrophobicContact CG2-CD2 3.85Å; T60-L65 HydrophobicContact CG2-CG 3.91Å; N62-L65 HydrophobicContact CB-CB 4.07Å; N62-L65 PolarHBondContact O-N 2.97Å; N62-L65 PolarHBondContact OD1-N 3.48Å; N62-L65 VanDerWaalsContact OD1-N 3.07Å; L65-K67 PolarHBondContact O-N 3.42Å; L65-L68 PolarHBondContact O-N 3.17Å; L65-V69 HydrophobicContact CD1-CG2 4.35Å; L65-V69 WeakPolarHBondContact O-CG2 3.31Å; L65-V69 PolarHBondContact O-N 3.41Å
66K85.4Confident82.2Confident5 Ų539.1 Ų39.12%0.02220%0.195CC..Hα-helixtrans-57.1-46.7174.2-79.8-166.5-177.9-65.90111.8M58 T60 N62 L63 L68 V69 Y70 D94 I102M58-K66 PolarHBondContact O-NZ 2.65Å; T60-K66 HydrophobicContact CG2-CG 3.94Å; T60-K66 WeakPolarHBondContact O-CE 3.4Å; T60-K66 PolarHBondContact O-NZ 3.44Å; N62-K66 PolarHBondContact O-N 2.9Å; L63-K66 PolarHBondContact O-N 3.12Å; K66-L68 VanDerWaalsContact C-N 3.29Å; K66-L68 PolarHBondContact O-N 2.87Å; K66-V69 PolarHBondContact O-N 3.41Å; K66-Y70 WeakPolarHBondContact O-CB 3.38Å; K66-Y70 WeakPolarHBondContact O-CD1 3.46Å; K66-Y70 VanDerWaalsContact O-CG 3.29Å; K66-Y70 PolarHBondContact O-N 3.34Å; K66-D94 IonicContact NZ-OD1 3.24Å; K66-D94 PolarHBondContact NZ-OD1 3.4Å; K66-D94 IonicContact NZ-OD2 2.66Å; K66-D94 PolarHBondContact NZ-OD2 2.8Å; K66-I102 HydrophobicContact CD-CD1 4.29Å; K66-I102 HydrophobicContact CD-CG1 4.38Å; K66-I102 HydrophobicContact CD-CG2 3.99Å
67K85.3Confident81.9Confident82 Ų8235.3 Ų35.336%0.35718%0.175SC..Hα-helixtrans-55.3-44177.1-76.6177.5-179.8-173.20112.2L63 E64 L65 Y70 L71 L105L63-K67 WeakPolarHBondContact O-CG 3.32Å; L63-K67 PolarHBondContact O-N 2.98Å; E64-K67 PolarHBondContact O-N 3.37Å; L65-K67 PolarHBondContact O-N 3.42Å; K67-Y70 PolarHBondContact O-N 3.4Å; K67-L71 WeakPolarHBondContact O-CB 3.18Å; K67-L71 PolarHBondContact O-N 3.49Å; K67-L105 HydrophobicContact CB-CD2 4.5Å; K67-L105 HydrophobicContact CG-CD1 4.38Å; K67-L105 HydrophobicContact CG-CD2 3.62Å
68L85Confident81.7Confident30 Ų3042.4 Ų42.416%0.15721%0.206CC..Hα-helixtrans-68.4-43178.9-63.7170.2000111.9V34 K35 I38 E64 L65 K66 Y70 L71 Y72V34-L68 HydrophobicContact CG1-CB 3.51Å; V34-L68 HydrophobicContact CG1-CD1 4.36Å; K35-L68 HydrophobicContact CG-CD1 3.58Å; I38-L68 HydrophobicContact CG1-CB 4.38Å; I38-L68 HydrophobicContact CG1-CD2 4.25Å; E64-L68 WeakPolarHBondContact O-CG 3.3Å; E64-L68 PolarHBondContact O-N 2.89Å; L65-L68 PolarHBondContact O-N 3.17Å; K66-L68 VanDerWaalsContact C-N 3.29Å; K66-L68 PolarHBondContact O-N 2.87Å; L68-Y70 VanDerWaalsContact C-N 3.32Å; L68-Y70 PolarHBondContact O-N 3.23Å; L68-L71 PolarHBondContact O-N 2.87Å; L68-Y72 PolarHBondContact O-N 2.97Å
69V85.6Confident81.7Confident0 Ų046 Ų460%023%0.231CC..Hα-helixtrans-62.4-41.1176.1173.20000110.8V34 V54 C57 M58 L65 K66 Y72 L73V34-V69 HydrophobicContact CG1-CG2 4.32Å; V34-V69 HydrophobicContact CG2-CG2 4.35Å; V54-V69 HydrophobicContact CG1-CB 4.44Å; V54-V69 HydrophobicContact CG1-CG1 4.06Å; V54-V69 HydrophobicContact CG1-CG2 4.23Å; V54-V69 WeakPolarHBondContact O-CG1 3.39Å; C57-V69 HydrophobicContact CB-CG2 3.97Å; M58-V69 HydrophobicContact CB-CG1 3.84Å; M58-V69 HydrophobicContact CG-CG1 4.21Å; L65-V69 HydrophobicContact CD1-CG2 4.35Å; L65-V69 WeakPolarHBondContact O-CG2 3.31Å; L65-V69 PolarHBondContact O-N 3.41Å; K66-V69 PolarHBondContact O-N 3.41Å; V69-Y72 WeakPolarHBondContact O-CB 3.31Å; V69-Y72 PolarHBondContact O-N 3.3Å; V69-L73 HydrophobicContact CG1-CD1 4.18Å; V69-L73 WeakPolarHBondContact O-CG 3.32Å; V69-L73 PolarHBondContact O-N 3.14Å
70Y86.4Confident81.7Confident1 Ų141.9 Ų41.90%0.00421%0.212CC..Hα-helixtrans-67.9-39.3178-7411.7000112.4M58 K66 K67 L68 Y72 L73 M74 F91 D94 L105 A106 T109M58-Y70 HydrophobicContact CG-CD1 4.42Å; M58-Y70 HydrophobicContact CG-CE1 3.73Å; M58-Y70 HydrophobicContact SD-CD1 4.16Å; M58-Y70 HydrophobicContact SD-CE1 3.59Å; M58-Y70 VanDerWaalsContact SD-CE1 3.59Å; K66-Y70 WeakPolarHBondContact O-CB 3.38Å; K66-Y70 WeakPolarHBondContact O-CD1 3.46Å; K66-Y70 VanDerWaalsContact O-CG 3.29Å; K66-Y70 PolarHBondContact O-N 3.34Å; K67-Y70 PolarHBondContact O-N 3.4Å; L68-Y70 VanDerWaalsContact C-N 3.32Å; L68-Y70 PolarHBondContact O-N 3.23Å; Y70-Y72 VanDerWaalsContact C-N 3.31Å; Y70-Y72 PolarHBondContact O-N 2.67Å; Y70-L73 PolarHBondContact O-N 2.99Å; Y70-M74 WeakPolarHBondContact O-CG 3.3Å; Y70-M74 PolarHBondContact O-N 3.28Å; Y70-F91 AromaticContact CD1-CE1 3.66Å; Y70-F91 HydrophobicContact CD1-CE1 3.66Å; Y70-F91 HydrophobicContact CD1-CZ 4.26Å; Y70-F91 HydrophobicContact CD2-CE1 4.12Å; Y70-F91 AromaticContact CE1-CD1 3.95Å; Y70-F91 HydrophobicContact CE1-CD1 3.95Å; Y70-F91 AromaticContact CE1-CE1 3.39Å; Y70-F91 HydrophobicContact CE1-CE1 3.39Å; Y70-F91 HydrophobicContact CE1-CZ 4.29Å; Y70-F91 HydrophobicContact CE2-CD1 4.22Å; Y70-F91 AromaticContact CE2-CE1 3.89Å; Y70-F91 HydrophobicContact CE2-CE1 3.89Å; Y70-F91 HydrophobicContact CG-CE1 4.03Å; Y70-F91 AromaticContact CZ-CD1 3.72Å; Y70-F91 AromaticContact CZ-CE1 3.51Å; Y70-D94 PolarHBondContact OH-OD2 3.38Å; Y70-L105 HydrophobicContact CD2-CD1 4.22Å; Y70-L105 HydrophobicContact CD2-CD2 3.73Å; Y70-L105 HydrophobicContact CD2-CG 3.51Å; Y70-L105 HydrophobicContact CE2-CB 4.33Å; Y70-L105 HydrophobicContact CE2-CD2 3.84Å; Y70-L105 HydrophobicContact CE2-CG 3.65Å; Y70-A106 HydrophobicContact CE2-CB 4.37Å; Y70-T109 HydrophobicContact CD2-CG2 3.99Å; Y70-T109 WeakPolarHBondContact CD2-OG1 3.35Å; Y70-T109 HydrophobicContact CG-CG2 3.97Å
71L85.5Confident81.5Confident36 Ų3643.7 Ų43.719%0.18822%0.223CC..Hα-helixtrans-59.1-44.2172.6-179.761.3000111.5I38 M41 K67 L68 M74 N75 L631I38-L71 HydrophobicContact CD1-CB 4.41Å; I38-L71 HydrophobicContact CD1-CD2 4.29Å; I38-L71 HydrophobicContact CD1-CG 4.31Å; I38-L71 HydrophobicContact CG2-CD2 4.09Å; M41-L71 HydrophobicContact CE-CG 4.4Å; K67-L71 WeakPolarHBondContact O-CB 3.18Å; K67-L71 PolarHBondContact O-N 3.49Å; L68-L71 PolarHBondContact O-N 2.87Å; L71-M74 HydrophobicContact CD1-CE 4.21Å; L71-M74 PolarHBondContact O-N 2.92Å; L71-N75 PolarHBondContact O-N 2.99Å; L71-L631 HydrophobicContact CD1-CD1 4.14Å
72Y85.6Confident81.7Confident1 Ų142.6 Ų42.60%0.00422%0.218CC..Hα-helixtrans-59.9-47.1174178.2-86.4000111.6V37 M41 V47 F51 V54 L68 V69 Y70 N75 Y76V37-Y72 HydrophobicContact CG1-CD2 3.67Å; V37-Y72 HydrophobicContact CG1-CE2 3.61Å; M41-Y72 HydrophobicContact SD-CD2 4.24Å; V47-Y72 HydrophobicContact CB-CE2 4.4Å; V47-Y72 HydrophobicContact CG2-CD2 4.44Å; V47-Y72 HydrophobicContact CG2-CE2 3.71Å; V47-Y72 PolarHBondContact O-OH 2.95Å; F51-Y72 WeakPolarHBondContact CA-OH 3.44Å; F51-Y72 HydrophobicContact CB-CE1 4.2Å; F51-Y72 AromaticContact CD2-CE1 3.72Å; F51-Y72 HydrophobicContact CD2-CE1 3.72Å; F51-Y72 HydrophobicContact CE2-CE1 4.4Å; F51-Y72 HydrophobicContact CG-CE1 4.1Å; F51-Y72 PolarHBondContact N-OH 3.5Å; V54-Y72 HydrophobicContact CB-CD1 3.97Å; V54-Y72 HydrophobicContact CB-CE1 3.97Å; V54-Y72 HydrophobicContact CB-CG 4.43Å; V54-Y72 HydrophobicContact CG1-CD1 3.51Å; V54-Y72 HydrophobicContact CG1-CD2 4.39Å; V54-Y72 HydrophobicContact CG1-CE1 4.04Å; V54-Y72 HydrophobicContact CG1-CG 3.72Å; V54-Y72 HydrophobicContact CG2-CD1 4.39Å; V54-Y72 HydrophobicContact CG2-CD2 4.43Å; V54-Y72 HydrophobicContact CG2-CE1 4.22Å; V54-Y72 HydrophobicContact CG2-CE2 4.21Å; L68-Y72 PolarHBondContact O-N 2.97Å; V69-Y72 WeakPolarHBondContact O-CB 3.31Å; V69-Y72 PolarHBondContact O-N 3.3Å; Y70-Y72 VanDerWaalsContact C-N 3.31Å; Y70-Y72 PolarHBondContact O-N 2.67Å; Y72-N75 PolarHBondContact O-N 3.28Å; Y72-Y76 HydrophobicContact CD1-CD2 4.21Å; Y72-Y76 AromaticContact CD2-CD2 3.82Å; Y72-Y76 HydrophobicContact CD2-CD2 3.82Å; Y72-Y76 AromaticContact CD2-CE2 3.91Å; Y72-Y76 HydrophobicContact CD2-CE2 3.91Å; Y72-Y76 AromaticContact CE1-CD2 3.9Å; Y72-Y76 HydrophobicContact CE1-CD2 3.9Å; Y72-Y76 HydrophobicContact CE1-CG 4.44Å; Y72-Y76 AromaticContact CE2-CD2 3.51Å; Y72-Y76 HydrophobicContact CE2-CD2 3.51Å; Y72-Y76 AromaticContact CE2-CE2 3.49Å; Y72-Y76 HydrophobicContact CE2-CE2 3.49Å; Y72-Y76 VanDerWaalsContact CE2-CE2 3.49Å; Y72-Y76 HydrophobicContact CG-CD2 4.16Å; Y72-Y76 AromaticContact CZ-CD2 3.53Å; Y72-Y76 AromaticContact CZ-CE2 3.9Å; Y72-Y76 PolarHBondContact O-N 2.91Å; Y72-Y76 VanDerWaalsContact O-N 3.09Å
73L83.9Confident81.3Confident2 Ų242.7 Ų42.71%0.0122%0.217CC..Hα-helixtrans-61.9-44.3179.7-76174.8000111.9F51 V55 M58 V69 Y70 N75 Y76 A77 A87 F91F51-L73 HydrophobicContact CE1-CD2 3.81Å; F51-L73 HydrophobicContact CE2-CD2 3.84Å; F51-L73 HydrophobicContact CZ-CD2 3.35Å; V55-L73 HydrophobicContact CG2-CD2 3.65Å; M58-L73 HydrophobicContact CE-CD1 4.42Å; M58-L73 HydrophobicContact SD-CD1 3.81Å; V69-L73 HydrophobicContact CG1-CD1 4.18Å; V69-L73 WeakPolarHBondContact O-CG 3.32Å; V69-L73 PolarHBondContact O-N 3.14Å; Y70-L73 PolarHBondContact O-N 2.99Å; L73-N75 PolarHBondContact O-N 3.43Å; L73-Y76 PolarHBondContact O-N 2.9Å; L73-A77 WeakPolarHBondContact O-CA 3.22Å; L73-A77 WeakPolarHBondContact O-CB 3.19Å; L73-A77 PolarHBondContact O-N 2.95Å; L73-A87 HydrophobicContact CD1-CB 4.05Å; L73-F91 HydrophobicContact CD1-CE2 4.14Å; L73-F91 HydrophobicContact CD1-CZ 3.64Å
74M82Confident81Confident40 Ų4040.9 Ų40.920%0.19721%0.208CC..Hα-helixtrans-58.1-37.6177.8-74.1-173.9-6800112.3Y70 L71 T109 C112Y70-M74 WeakPolarHBondContact O-CG 3.3Å; Y70-M74 PolarHBondContact O-N 3.28Å; L71-M74 HydrophobicContact CD1-CE 4.21Å; L71-M74 PolarHBondContact O-N 2.92Å; M74-T109 HydrophobicContact CG-CG2 3.83Å; M74-T109 HydrophobicContact SD-CG2 4.29Å; M74-C112 HydrophobicContact CG-CB 4.18Å; M74-C112 HydrophobicContact SD-CB 3.64Å
75N82.1Confident80.6Confident70 Ų7039.7 Ų39.737%0.37420%0.203SC..Hα-helixtrans-74.7-42.1-179.9-164.831.2000112.7M41 L71 Y72 L73M41-N75 HydrophobicContact CE-CB 4.24Å; M41-N75 VanDerWaalsContact CG-ND2 3.3Å; M41-N75 WeakPolarHBondContact CG-ND2 3.31Å; M41-N75 HydrophobicContact SD-CB 3.82Å; M41-N75 PolarHBondContact SD-ND2 3.49Å; L71-N75 PolarHBondContact O-N 2.99Å; Y72-N75 PolarHBondContact O-N 3.28Å; L73-N75 PolarHBondContact O-N 3.43Å
76Y80.6Confident80.2Confident23 Ų2345.6 Ų45.69%0.0923%0.232CC..Hα-helixtrans-93.9-15.7-174.7-75-74000115.2M41 V47 Y72 L73 K78 S79 Q80M41-Y76 HydrophobicContact CG-CE2 3.87Å; M41-Y76 HydrophobicContact SD-CD2 4.11Å; M41-Y76 HydrophobicContact SD-CE2 3.57Å; M41-Y76 VanDerWaalsContact SD-CE2 3.57Å; V47-Y76 HydrophobicContact CG2-CE2 3.63Å; V47-Y76 WeakPolarHBondContact CG2-OH 3.44Å; V47-Y76 PolarHBondContact N-OH 3.14Å; Y72-Y76 HydrophobicContact CD1-CD2 4.21Å; Y72-Y76 AromaticContact CD2-CD2 3.82Å; Y72-Y76 HydrophobicContact CD2-CD2 3.82Å; Y72-Y76 AromaticContact CD2-CE2 3.91Å; Y72-Y76 HydrophobicContact CD2-CE2 3.91Å; Y72-Y76 AromaticContact CE1-CD2 3.9Å; Y72-Y76 HydrophobicContact CE1-CD2 3.9Å; Y72-Y76 HydrophobicContact CE1-CG 4.44Å; Y72-Y76 AromaticContact CE2-CD2 3.51Å; Y72-Y76 HydrophobicContact CE2-CD2 3.51Å; Y72-Y76 AromaticContact CE2-CE2 3.49Å; Y72-Y76 HydrophobicContact CE2-CE2 3.49Å; Y72-Y76 VanDerWaalsContact CE2-CE2 3.49Å; Y72-Y76 HydrophobicContact CG-CD2 4.16Å; Y72-Y76 AromaticContact CZ-CD2 3.53Å; Y72-Y76 AromaticContact CZ-CE2 3.9Å; Y72-Y76 PolarHBondContact O-N 2.91Å; Y72-Y76 VanDerWaalsContact O-N 3.09Å; L73-Y76 PolarHBondContact O-N 2.9Å; Y76-K78 VanDerWaalsContact C-N 3.27Å; Y76-K78 PolarHBondContact O-N 3.36Å; Y76-S79 PolarHBondContact O-N 3.21Å; Y76-S79 PolarHBondContact O-OG 2.99Å; Y76-Q80 PolarHBondContact O-N 2.83Å
77A76.2Confident79.9Confident1 Ų145.4 Ų45.41%0.00823%0.232CC..THydrogen-bonded Turntrans-59.2-36.4-175.600000113L73 S79 Q80 P81 A84 I113L73-A77 WeakPolarHBondContact O-CA 3.22Å; L73-A77 WeakPolarHBondContact O-CB 3.19Å; L73-A77 PolarHBondContact O-N 2.95Å; A77-S79 VanDerWaalsContact C-N 3.3Å; A77-S79 PolarHBondContact O-N 3.41Å; A77-Q80 CarbonylContact O-C 3.39Å; A77-Q80 PolarHBondContact O-N 3.04Å; A77-P81 WeakPolarHBondContact O-CA 3.4Å; A77-A84 HydrophobicContact CB-CB 3.9Å; A77-I113 HydrophobicContact CB-CG1 4.2Å; A77-I113 HydrophobicContact CB-CG2 3.71Å
78K76.5Confident79.7Confident150 Ų15041.6 Ų41.665%0.65222%0.215SC*.THydrogen-bonded Turntrans-65.9-33.4176.7-164.3177.3-176.6179.10112.5Y76Y76-K78 VanDerWaalsContact C-N 3.27Å; Y76-K78 PolarHBondContact O-N 3.36Å
79S78.4Confident79.6Confident76 Ų7646.1 Ų46.153%0.53124%0.24SC..THydrogen-bonded Turntrans-81.5-2517968.10000113.8Y76 A77Y76-S79 PolarHBondContact O-N 3.21Å; Y76-S79 PolarHBondContact O-OG 2.99Å; A77-S79 VanDerWaalsContact C-N 3.3Å; A77-S79 PolarHBondContact O-N 3.41Å
80Q77.1Confident79.5Confident56 Ų5647.1 Ų47.126%0.26225%0.246SC..  trans-134.368.1-178.3-65.2-171.5-1500111F51 Y76 A77 D82 M83 A84F51-Q80 VanDerWaalsContact CB-OE1 3.32Å; F51-Q80 HydrophobicContact CE2-CB 4.46Å; Y76-Q80 PolarHBondContact O-N 2.83Å; A77-Q80 CarbonylContact O-C 3.39Å; A77-Q80 PolarHBondContact O-N 3.04Å; Q80-D82 VanDerWaalsContact C-N 3.35Å; Q80-D82 PolarHBondContact O-N 3.37Å; Q80-M83 HydrophobicContact CB-CB 4.16Å; Q80-M83 HydrophobicContact CB-CG 4.32Å; Q80-M83 PolarHBondContact O-N 3.1Å; Q80-A84 PolarHBondContact O-N 3.47Å; Q80-A84 VanDerWaalsContact O-N 3.12Å
81P73.8Confident79.5Confident42 Ų4247.1 Ų47.127%0.27325%0.247SC..Hα-helixtrans-62.5-39-174.124.4-34.2000112.6A77 M83 A84 I85 V115A77-P81 WeakPolarHBondContact O-CA 3.4Å; P81-M83 VanDerWaalsContact C-N 3.29Å; P81-M83 PolarHBondContact O-N 2.93Å; P81-A84 WeakPolarHBondContact O-CB 3.28Å; P81-A84 PolarHBondContact O-N 3.18Å; P81-A84 VanDerWaalsContact O-N 3.16Å; P81-I85 WeakPolarHBondContact O-CG1 3.25Å; P81-I85 PolarHBondContact O-N 2.93Å; P81-V115 HydrophobicContact CB-CG1 3.77Å
82D78.1Confident79.6Confident103 Ų10347.7 Ų47.755%0.55125%0.251SS*.Hα-helixtrans-66.9-31.8-178.5-58.6-46.9000112.3Q80 K117Q80-D82 VanDerWaalsContact C-N 3.35Å; Q80-D82 PolarHBondContact O-N 3.37Å; D82-K117 IonicContact OD1-NZ 2.78Å; D82-K117 PolarHBondContact OD1-NZ 3.37Å
83M72.7Confident79.7Confident58 Ų5855 Ų5529%0.28628%0.283SS..Hα-helixtrans-75.3-33174.2-64.9-69.2-74.300111.7F51 P52 Q80 P81 I85 M86F51-M83 HydrophobicContact CD1-CB 3.61Å; F51-M83 HydrophobicContact CD1-CE 4.1Å; F51-M83 HydrophobicContact CD1-CG 4.41Å; F51-M83 HydrophobicContact CE1-CB 3.4Å; F51-M83 VanDerWaalsContact CE1-CB 3.4Å; F51-M83 HydrophobicContact CG-CB 4.38Å; F51-M83 HydrophobicContact CZ-CB 4.02Å; P52-M83 HydrophobicContact CB-CE 3.89Å; P52-M83 HydrophobicContact CG-CE 3.54Å; Q80-M83 HydrophobicContact CB-CB 4.16Å; Q80-M83 HydrophobicContact CB-CG 4.32Å; Q80-M83 PolarHBondContact O-N 3.1Å; P81-M83 VanDerWaalsContact C-N 3.29Å; P81-M83 PolarHBondContact O-N 2.93Å; M83-I85 PolarHBondContact O-N 3.06Å; M83-M86 WeakPolarHBondContact O-CB 3.33Å; M83-M86 PolarHBondContact O-N 3.24Å; M83-M86 VanDerWaalsContact O-N 3.14Å; M83-M86 HydrophobicContact SD-SD 4.4Å
84A74.5Confident80Confident2 Ų255.4 Ų55.42%0.01729%0.285CS..Hα-helixtrans-64-29.9175.400000112.3F51 A77 Q80 P81 M86 A87 V88 I118F51-A84 HydrophobicContact CZ-CB 4.38Å; A77-A84 HydrophobicContact CB-CB 3.9Å; Q80-A84 PolarHBondContact O-N 3.47Å; Q80-A84 VanDerWaalsContact O-N 3.12Å; P81-A84 WeakPolarHBondContact O-CB 3.28Å; P81-A84 PolarHBondContact O-N 3.18Å; P81-A84 VanDerWaalsContact O-N 3.16Å; A84-M86 PolarHBondContact O-N 2.58Å; A84-A87 WeakPolarHBondContact O-CB 3.5Å; A84-A87 PolarHBondContact O-N 3.29Å; A84-V88 PolarHBondContact O-N 3.36Å; A84-I118 HydrophobicContact CB-CD1 3.63Å
85I75.1Confident80.4Confident54 Ų5454 Ų5428%0.27728%0.279SS..Hα-helixtrans-58.2-36.8173.4-62.2170000111.2P81 M83 A87 V88 K117P81-I85 WeakPolarHBondContact O-CG1 3.25Å; P81-I85 PolarHBondContact O-N 2.93Å; M83-I85 PolarHBondContact O-N 3.06Å; I85-A87 PolarHBondContact O-N 3.31Å; I85-V88 VanDerWaalsContact O-CB 3.26Å; I85-V88 WeakPolarHBondContact O-CB 3.36Å; I85-V88 WeakPolarHBondContact O-CG2 3.45Å; I85-V88 PolarHBondContact O-N 2.95Å; I85-V88 VanDerWaalsContact O-N 3.13Å; I85-K117 HydrophobicContact CD1-CB 4.36Å; I85-K117 HydrophobicContact CD1-CD 3.9Å
86M74.3Confident80.8Confident125 Ų12556.1 Ų56.162%0.61629%0.287SS*.Hα-helixtrans-64.2-27.6177.3-62.8-176.164.200112.7M83 A84M83-M86 WeakPolarHBondContact O-CB 3.33Å; M83-M86 PolarHBondContact O-N 3.24Å; M83-M86 VanDerWaalsContact O-N 3.14Å; M83-M86 HydrophobicContact SD-SD 4.4Å; A84-M86 PolarHBondContact O-N 2.58Å
87A79.2Confident81.3Confident1 Ų156.6 Ų56.61%0.00829%0.291CS..Hα-helixtrans-77.1-23.3177.600000112.7M58 L73 A84 I85 N89 S90 F91M58-A87 HydrophobicContact CE-CB 3.69Å; M58-A87 HydrophobicContact SD-CB 4.48Å; L73-A87 HydrophobicContact CD1-CB 4.05Å; A84-A87 WeakPolarHBondContact O-CB 3.5Å; A84-A87 PolarHBondContact O-N 3.29Å; I85-A87 PolarHBondContact O-N 3.31Å; A87-N89 VanDerWaalsContact C-N 3.32Å; A87-N89 PolarHBondContact O-N 3.26Å; A87-S90 WeakPolarHBondContact O-CB 3.26Å; A87-S90 PolarHBondContact O-N 3.47Å; A87-F91 HydrophobicContact CB-CD2 4.14Å; A87-F91 HydrophobicContact CB-CE2 3.73Å; A87-F91 VanDerWaalsContact O-CD2 3.28Å; A87-F91 WeakPolarHBondContact O-CD2 3.47Å; A87-F91 PolarHBondContact O-N 2.96Å
88V81.6Confident82Confident3 Ų362.1 Ų62.12%0.01833%0.327CS..Hα-helixtrans-53.3-46.6-178.9175.40000111.8A84 I85 S90 F91 V92 M110 I118 Y121A84-V88 PolarHBondContact O-N 3.36Å; I85-V88 VanDerWaalsContact O-CB 3.26Å; I85-V88 WeakPolarHBondContact O-CB 3.36Å; I85-V88 WeakPolarHBondContact O-CG2 3.45Å; I85-V88 PolarHBondContact O-N 2.95Å; I85-V88 VanDerWaalsContact O-N 3.13Å; V88-S90 PolarHBondContact O-N 3.31Å; V88-F91 PolarHBondContact O-N 3.04Å; V88-F91 VanDerWaalsContact O-N 3.1Å; V88-V92 HydrophobicContact CG1-CG2 4.16Å; V88-V92 WeakPolarHBondContact O-CG2 3.47Å; V88-V92 PolarHBondContact O-N 2.94Å; V88-M110 HydrophobicContact CG1-CE 4.44Å; V88-I118 HydrophobicContact CG2-CB 4.49Å; V88-I118 HydrophobicContact CG2-CD1 4.21Å; V88-I118 HydrophobicContact CG2-CG1 3.92Å; V88-I118 HydrophobicContact CG2-CG2 4.02Å; V88-Y121 VanDerWaalsContact CG1-CB 3.43Å; V88-Y121 HydrophobicContact CG1-CD1 4.03Å; V88-Y121 HydrophobicContact CG1-CD2 4.22Å; V88-Y121 HydrophobicContact CG1-CG 3.65Å
89N81.7Confident82.6Confident125 Ų12557.7 Ų57.767%0.66831%0.31SS*.Hα-helixtrans-59.5-33.2179.4-72.9-31000112.9A87 K93A87-N89 VanDerWaalsContact C-N 3.32Å; A87-N89 PolarHBondContact O-N 3.26Å; N89-K93 PolarHBondContact O-N 2.91Å
90S84.3Confident83.2Confident20 Ų2055.7 Ų55.714%0.1430%0.295CS..Hα-helixtrans-77.4-39.1176.8-57.10000111.2M58 A87 V88 K93 D94M58-S90 WeakPolarHBondContact CE-OG 3.47Å; A87-S90 WeakPolarHBondContact O-CB 3.26Å; A87-S90 PolarHBondContact O-N 3.47Å; V88-S90 PolarHBondContact O-N 3.31Å; S90-K93 PolarHBondContact O-N 2.99Å; S90-D94 WeakPolarHBondContact O-CB 3.29Å; S90-D94 PolarHBondContact O-N 2.67Å
91F87.1Confident83.8Confident2 Ų256 Ų561%0.00930%0.298CS..Hα-helixtrans-61.6-45.4174-69.7-60.3000112.2M58 Y70 L73 A87 V88 K93 D94 C95 A106 T109 M110 I113M58-F91 HydrophobicContact SD-CE1 4.26Å; M58-F91 HydrophobicContact SD-CZ 4.31Å; Y70-F91 AromaticContact CD1-CE1 3.66Å; Y70-F91 HydrophobicContact CD1-CE1 3.66Å; Y70-F91 HydrophobicContact CD1-CZ 4.26Å; Y70-F91 HydrophobicContact CD2-CE1 4.12Å; Y70-F91 AromaticContact CE1-CD1 3.95Å; Y70-F91 HydrophobicContact CE1-CD1 3.95Å; Y70-F91 AromaticContact CE1-CE1 3.39Å; Y70-F91 HydrophobicContact CE1-CE1 3.39Å; Y70-F91 HydrophobicContact CE1-CZ 4.29Å; Y70-F91 HydrophobicContact CE2-CD1 4.22Å; Y70-F91 AromaticContact CE2-CE1 3.89Å; Y70-F91 HydrophobicContact CE2-CE1 3.89Å; Y70-F91 HydrophobicContact CG-CE1 4.03Å; Y70-F91 AromaticContact CZ-CD1 3.72Å; Y70-F91 AromaticContact CZ-CE1 3.51Å; L73-F91 HydrophobicContact CD1-CE2 4.14Å; L73-F91 HydrophobicContact CD1-CZ 3.64Å; A87-F91 HydrophobicContact CB-CD2 4.14Å; A87-F91 HydrophobicContact CB-CE2 3.73Å; A87-F91 VanDerWaalsContact O-CD2 3.28Å; A87-F91 WeakPolarHBondContact O-CD2 3.47Å; A87-F91 PolarHBondContact O-N 2.96Å; V88-F91 PolarHBondContact O-N 3.04Å; V88-F91 VanDerWaalsContact O-N 3.1Å; F91-K93 VanDerWaalsContact C-N 3.28Å; F91-K93 PolarHBondContact O-N 2.97Å; F91-D94 CarbonylContact O-C 3.59Å; F91-D94 PolarHBondContact O-N 2.68Å; F91-D94 VanDerWaalsContact O-N 3.12Å; F91-C95 PolarHBondContact O-N 3.06Å; F91-C95 PolarHBondContact O-SG 3.32Å; F91-A106 HydrophobicContact CD1-CB 4.43Å; F91-T109 HydrophobicContact CE1-CG2 3.62Å; F91-T109 HydrophobicContact CZ-CG2 3.68Å; F91-M110 HydrophobicContact CB-CE 4.42Å; F91-M110 HydrophobicContact CB-CG 3.57Å; F91-M110 HydrophobicContact CB-SD 3.48Å; F91-M110 WeakPolarHBondContact CB-SD 3.29Å; F91-M110 HydrophobicContact CD1-CG 4.22Å; F91-M110 HydrophobicContact CD2-CG 4.02Å; F91-M110 HydrophobicContact CG-CG 3.71Å; F91-M110 HydrophobicContact CG-SD 4.31Å; F91-I113 HydrophobicContact CD2-CD1 4.46Å; F91-I113 HydrophobicContact CE2-CD1 3.55Å; F91-I113 HydrophobicContact CZ-CD1 3.75Å
92V87.5Confident84.5Confident47 Ų4754.1 Ų54.129%0.28529%0.286SS..Hα-helixtrans-58.9-42.3177173.90000110.7V88 C95 P125V88-V92 HydrophobicContact CG1-CG2 4.16Å; V88-V92 WeakPolarHBondContact O-CG2 3.47Å; V88-V92 PolarHBondContact O-N 2.94Å; V92-C95 WeakPolarHBondContact O-CB 3.27Å; V92-C95 PolarHBondContact O-N 2.85Å; V92-P125 HydrophobicContact CG1-CG 4.41Å; V92-P125 HydrophobicContact CG2-CG 3.97Å
93K88Confident85.2Confident154 Ų15450.8 Ų50.867%0.6727%0.266SS*.Hα-helixtrans-64.2-43.5174.3-175.6-175.6176.4-172.90112.2N89 S90 F91 C95 E96 D97N89-K93 PolarHBondContact O-N 2.91Å; S90-K93 PolarHBondContact O-N 2.99Å; F91-K93 VanDerWaalsContact C-N 3.28Å; F91-K93 PolarHBondContact O-N 2.97Å; K93-C95 VanDerWaalsContact C-N 3.28Å; K93-C95 PolarHBondContact O-N 3.48Å; K93-E96 CarbonylContact O-C 3.59Å; K93-E96 PolarHBondContact O-N 2.6Å; K93-D97 PolarHBondContact O-N 3.39Å
94D89.5Confident86.1Confident11 Ų1148.1 Ų48.16%0.05925%0.253CS..Hα-helixtrans-70-25.6-179.6-72.5-24.6000112.2K66 Y70 S90 F91 E96 D97 I102 R103 A106K66-D94 IonicContact NZ-OD1 3.24Å; K66-D94 PolarHBondContact NZ-OD1 3.4Å; K66-D94 IonicContact NZ-OD2 2.66Å; K66-D94 PolarHBondContact NZ-OD2 2.8Å; Y70-D94 PolarHBondContact OH-OD2 3.38Å; S90-D94 WeakPolarHBondContact O-CB 3.29Å; S90-D94 PolarHBondContact O-N 2.67Å; F91-D94 CarbonylContact O-C 3.59Å; F91-D94 PolarHBondContact O-N 2.68Å; F91-D94 VanDerWaalsContact O-N 3.12Å; D94-E96 PolarHBondContact O-N 2.98Å; D94-D97 VanDerWaalsContact O-CB 3.27Å; D94-D97 WeakPolarHBondContact O-CB 3.38Å; D94-D97 PolarHBondContact O-N 2.79Å; D94-I102 HydrophobicContact CB-CG2 3.86Å; D94-R103 WeakPolarHBondContact O-CA 3.47Å; D94-A106 HydrophobicContact CB-CB 3.81Å
95C90.3Very high86.8Confident10 Ų1049.5 Ų49.57%0.06826%0.26CS..THydrogen-bonded Turntrans-66.1-14.6168.7-72.20000113.2F91 V92 K93 R103 A106 P125F91-C95 PolarHBondContact O-N 3.06Å; F91-C95 PolarHBondContact O-SG 3.32Å; V92-C95 WeakPolarHBondContact O-CB 3.27Å; V92-C95 PolarHBondContact O-N 2.85Å; K93-C95 VanDerWaalsContact C-N 3.28Å; K93-C95 PolarHBondContact O-N 3.48Å; C95-R103 WeakPolarHBondContact O-CD 3.46Å; C95-R103 WeakPolarHBondContact O-CG 3.22Å; C95-A106 VanDerWaalsContact SG-CB 3.58Å; C95-P125 HydrophobicContact CB-CB 3.99Å
96E90.8Very high87.5Confident116 Ų11647 Ų4754%0.54225%0.247SC..THydrogen-bonded Turntrans-11110.5175.7-60.5-175.6168.800112.2K93 D94 K128K93-E96 CarbonylContact O-C 3.59Å; K93-E96 PolarHBondContact O-N 2.6Å; D94-E96 PolarHBondContact O-N 2.98Å; E96-K128 IonicContact OE1-NZ 2.62Å; E96-K128 PolarHBondContact OE1-NZ 3.39Å
97D91.1Very high88.3Confident32 Ų3241 Ų4117%0.17122%0.218CC..  trans-64.7145.1-179.4-168.1-87.4000111.6K93 D94 N99 I102 R103K93-D97 PolarHBondContact O-N 3.39Å; D94-D97 VanDerWaalsContact O-CB 3.27Å; D94-D97 WeakPolarHBondContact O-CB 3.38Å; D94-D97 PolarHBondContact O-N 2.79Å; D97-N99 PolarHBondContact O-N 3.24Å; D97-N99 VanDerWaalsContact O-N 3.17Å; D97-N99 VanDerWaalsContact OD1-CB 3.23Å; D97-N99 WeakPolarHBondContact OD1-CB 3.27Å; D97-N99 PolarHBondContact OD1-N 2.7Å; D97-I102 HydrophobicContact CB-CB 4.06Å; D97-I102 HydrophobicContact CB-CG2 3.75Å; D97-R103 HydrophobicContact CB-CG 4.35Å; D97-R103 WeakPolarHBondContact O-CD 3.32Å; D97-R103 WeakPolarHBondContact O-CG 3.39Å; D97-R103 PolarHBondContact O-NH1 3.48Å
98P89.7Confident88.8Confident117 Ų11743.6 Ų43.676%0.7623%0.227SC*.SBendtrans-56.7-30.3175.4-26.835.5000114P100 R103P98-P100 WeakPolarHBondContact O-CD 3.44Å; P98-R103 PolarHBondContact O-NH1 3.41Å
99N89.8Confident89.1Confident57 Ų5743.5 Ų43.531%0.30523%0.227SC..SBendtrans-82.6115.9-179.6-173.5-15.4000111.5D97 L101 I102 R103D97-N99 PolarHBondContact O-N 3.24Å; D97-N99 VanDerWaalsContact O-N 3.17Å; D97-N99 VanDerWaalsContact OD1-CB 3.23Å; D97-N99 WeakPolarHBondContact OD1-CB 3.27Å; D97-N99 PolarHBondContact OD1-N 2.7Å; N99-L101 PolarHBondContact O-N 2.93Å; N99-L101 VanDerWaalsContact O-N 3.16Å; N99-L101 WeakPolarHBondContact OD1-CB 3.36Å; N99-L101 PolarHBondContact OD1-N 3.06Å; N99-I102 HydrophobicContact CB-CB 4.27Å; N99-I102 HydrophobicContact CB-CD1 3.99Å; N99-I102 HydrophobicContact CB-CG1 4.02Å; N99-I102 PolarHBondContact O-N 3.49Å; N99-R103 PolarHBondContact O-N 3.31Å; N99-R103 VanDerWaalsContact O-N 3.17Å
100P91.2Very high89.4Confident34 Ų3437.7 Ų37.722%0.22120%0.196CC..Hα-helixtrans-59.7-30.3-179.523.5-33.4000113.3P98 I102 R103 A104 D134 V137P98-P100 WeakPolarHBondContact O-CD 3.44Å; P100-I102 VanDerWaalsContact C-N 3.3Å; P100-I102 PolarHBondContact O-N 2.99Å; P100-R103 PolarHBondContact O-N 3.09Å; P100-A104 VanDerWaalsContact O-CB 3.31Å; P100-A104 WeakPolarHBondContact O-CB 3.41Å; P100-A104 PolarHBondContact O-N 2.93Å; P100-D134 HydrophobicContact CB-CB 3.76Å; P100-D134 VanDerWaalsContact CB-CG 3.49Å; P100-V137 HydrophobicContact CB-CG2 3.77Å; P100-V137 WeakPolarHBondContact O-CG2 3.37Å
101L89.7Confident89.4Confident62 Ų6236.8 Ų36.833%0.32519%0.189SC..Hα-helixtrans-66.3-34.3176.9-61.9178.6000112.1L63 N99 L105 Y136L63-L101 HydrophobicContact CD1-CB 4.26Å; L63-L101 HydrophobicContact CD2-CB 4.28Å; L63-L101 HydrophobicContact CD2-CD1 3.92Å; N99-L101 PolarHBondContact O-N 2.93Å; N99-L101 VanDerWaalsContact O-N 3.16Å; N99-L101 WeakPolarHBondContact OD1-CB 3.36Å; N99-L101 PolarHBondContact OD1-N 3.06Å; L101-L105 WeakPolarHBondContact O-CB 3.35Å; L101-L105 PolarHBondContact O-N 3.15Å; L101-Y136 HydrophobicContact CD2-CD1 4.09Å; L101-Y136 HydrophobicContact CD2-CE1 3.9Å
102I88.7Confident89.3Confident4 Ų438 Ų382%0.02120%0.197CC..Hα-helixtrans-72.8-44.8177-64.7179.8000109.4L63 K66 D94 D97 N99 P100 A104 L105 A106L63-I102 HydrophobicContact CD1-CG1 3.77Å; K66-I102 HydrophobicContact CD-CD1 4.29Å; K66-I102 HydrophobicContact CD-CG1 4.38Å; K66-I102 HydrophobicContact CD-CG2 3.99Å; D94-I102 HydrophobicContact CB-CG2 3.86Å; D97-I102 HydrophobicContact CB-CB 4.06Å; D97-I102 HydrophobicContact CB-CG2 3.75Å; N99-I102 HydrophobicContact CB-CB 4.27Å; N99-I102 HydrophobicContact CB-CD1 3.99Å; N99-I102 HydrophobicContact CB-CG1 4.02Å; N99-I102 PolarHBondContact O-N 3.49Å; P100-I102 VanDerWaalsContact C-N 3.3Å; P100-I102 PolarHBondContact O-N 2.99Å; I102-A104 PolarHBondContact O-N 3.24Å; I102-L105 PolarHBondContact O-N 3.04Å; I102-A106 WeakPolarHBondContact O-CB 3.42Å; I102-A106 PolarHBondContact O-N 2.89Å
103R93.2Very high88.8Confident33 Ų3336 Ų3613%0.12519%0.185CC..Hα-helixtrans-56.2-52.4175.5-60.5-161.6-63.3-835.7112.1D94 C95 D97 P98 N99 P100 L105 A106 V107 D132 V137D94-R103 WeakPolarHBondContact O-CA 3.47Å; C95-R103 WeakPolarHBondContact O-CD 3.46Å; C95-R103 WeakPolarHBondContact O-CG 3.22Å; D97-R103 HydrophobicContact CB-CG 4.35Å; D97-R103 WeakPolarHBondContact O-CD 3.32Å; D97-R103 WeakPolarHBondContact O-CG 3.39Å; D97-R103 PolarHBondContact O-NH1 3.48Å; P98-R103 PolarHBondContact O-NH1 3.41Å; N99-R103 PolarHBondContact O-N 3.31Å; N99-R103 VanDerWaalsContact O-N 3.17Å; P100-R103 PolarHBondContact O-N 3.09Å; R103-L105 PolarHBondContact O-N 3.2Å; R103-A106 PolarHBondContact O-N 3.38Å; R103-V107 PolarHBondContact O-N 3.12Å; R103-D132 IonicContact CZ-OD1 2.7Å; R103-D132 IonicContact CZ-OD2 3.41Å; R103-D132 IonicContact NE-OD1 3.79Å; R103-D132 IonicContact NE-OD2 3.67Å; R103-D132 PolarHBondContact NE-OD2 3.41Å; R103-D132 IonicContact NH2-OD1 2.8Å; R103-D132 PolarHBondContact NH2-OD1 3.05Å; R103-D132 IonicContact NH2-OD2 3.69Å; R103-D132 PolarHBondContact NH2-OD2 2.89Å; R103-V137 HydrophobicContact CB-CG1 4.36Å; R103-V137 HydrophobicContact CB-CG2 4.11Å
104A91.5Very high88.2Confident1 Ų136 Ų361%0.00818%0.181CC..Hα-helixtrans-61-43.2178.600000112.2P100 I102 A106 V107 R108 Y136 V137 T140P100-A104 VanDerWaalsContact O-CB 3.31Å; P100-A104 WeakPolarHBondContact O-CB 3.41Å; P100-A104 PolarHBondContact O-N 2.93Å; I102-A104 PolarHBondContact O-N 3.24Å; A104-A106 VanDerWaalsContact C-N 3.34Å; A104-A106 PolarHBondContact O-N 3.06Å; A104-V107 WeakPolarHBondContact O-CG1 3.29Å; A104-R108 VanDerWaalsContact O-CB 3.23Å; A104-R108 WeakPolarHBondContact O-CB 3.18Å; A104-R108 PolarHBondContact O-N 2.89Å; A104-R108 VanDerWaalsContact O-N 3.07Å; A104-Y136 HydrophobicContact CB-CD1 3.55Å; A104-Y136 HydrophobicContact CB-CE1 3.51Å; A104-V137 HydrophobicContact CB-CG2 4.18Å; A104-T140 HydrophobicContact CB-CG2 4.19Å; A104-T140 WeakPolarHBondContact O-CG2 3.19Å
105L88.8Confident87.6Confident32 Ų3236.1 Ų36.117%0.16818%0.182CC..Hα-helixtrans-65.1-39178.7-177.268.4000111.5L63 K67 Y70 L101 I102 R103 T109L63-L105 HydrophobicContact CD1-CD2 4.25Å; K67-L105 HydrophobicContact CB-CD2 4.5Å; K67-L105 HydrophobicContact CG-CD1 4.38Å; K67-L105 HydrophobicContact CG-CD2 3.62Å; Y70-L105 HydrophobicContact CD2-CD1 4.22Å; Y70-L105 HydrophobicContact CD2-CD2 3.73Å; Y70-L105 HydrophobicContact CD2-CG 3.51Å; Y70-L105 HydrophobicContact CE2-CB 4.33Å; Y70-L105 HydrophobicContact CE2-CD2 3.84Å; Y70-L105 HydrophobicContact CE2-CG 3.65Å; L101-L105 WeakPolarHBondContact O-CB 3.35Å; L101-L105 PolarHBondContact O-N 3.15Å; I102-L105 PolarHBondContact O-N 3.04Å; R103-L105 PolarHBondContact O-N 3.2Å; L105-T109 VanDerWaalsContact O-CB 3.29Å; L105-T109 WeakPolarHBondContact O-CB 3.39Å; L105-T109 PolarHBondContact O-N 3.47Å; L105-T109 PolarHBondContact O-OG1 3.08Å
106A89.6Confident86.8Confident0 Ų041.2 Ų41.20%021%0.209CC..Hα-helixtrans-65.2-53.4178.100000111.7Y70 F91 D94 C95 I102 R103 A104 R108 T109 M110Y70-A106 HydrophobicContact CE2-CB 4.37Å; F91-A106 HydrophobicContact CD1-CB 4.43Å; D94-A106 HydrophobicContact CB-CB 3.81Å; C95-A106 VanDerWaalsContact SG-CB 3.58Å; I102-A106 WeakPolarHBondContact O-CB 3.42Å; I102-A106 PolarHBondContact O-N 2.89Å; R103-A106 PolarHBondContact O-N 3.38Å; A104-A106 VanDerWaalsContact C-N 3.34Å; A104-A106 PolarHBondContact O-N 3.06Å; A106-R108 VanDerWaalsContact C-N 3.31Å; A106-R108 PolarHBondContact O-N 3.01Å; A106-T109 PolarHBondContact O-N 3.44Å; A106-T109 VanDerWaalsContact O-N 3.16Å; A106-M110 WeakPolarHBondContact O-CG 3.46Å; A106-M110 PolarHBondContact O-N 2.72Å
107V92.1Very high86Confident0 Ų041.2 Ų41.20%021%0.207CC..Hα-helixtrans-61.1-39.7179.869.10000112R103 A104 G111 L122 L126 C129 T140 C144R103-V107 PolarHBondContact O-N 3.12Å; A104-V107 WeakPolarHBondContact O-CG1 3.29Å; V107-G111 PolarHBondContact O-N 3.16Å; V107-L122 HydrophobicContact CG2-CD1 3.99Å; V107-L126 HydrophobicContact CG2-CB 4.44Å; V107-L126 HydrophobicContact CG2-CD1 3.81Å; V107-C129 HydrophobicContact CG1-CB 4.42Å; V107-C129 HydrophobicContact CG2-CB 4.28Å; V107-T140 HydrophobicContact CG1-CG2 4.18Å; V107-C144 HydrophobicContact CG2-CB 4.42Å; V107-C144 PolarHBondContact O-SG 2.93Å
108R89.5Confident85.2Confident55 Ų5539.8 Ų39.821%0.20820%0.199CC..Hα-helixtrans-63-45.7175.3179.7177.4166.2172.9-1112A104 A106 G111 C112 T140 D630A104-R108 VanDerWaalsContact O-CB 3.23Å; A104-R108 WeakPolarHBondContact O-CB 3.18Å; A104-R108 PolarHBondContact O-N 2.89Å; A104-R108 VanDerWaalsContact O-N 3.07Å; A106-R108 VanDerWaalsContact C-N 3.31Å; A106-R108 PolarHBondContact O-N 3.01Å; R108-G111 PolarHBondContact O-N 3.33Å; R108-C112 PolarHBondContact O-N 3.14Å; R108-C112 PolarHBondContact O-SG 3.02Å; R108-C112 VanDerWaalsContact O-SG 3.35Å; R108-T140 HydrophobicContact CB-CG2 3.66Å; R108-T140 HydrophobicContact CG-CG2 4.38Å; R108-D630 PolarHBondContact NH2-O 2.96Å
109T87.1Confident84.8Confident2 Ų234.6 Ų34.61%0.01217%0.165CC..Hα-helixtrans-65.2-42.8-178.2-58.60000110.5Y70 M74 F91 L105 A106 G111 C112 I113Y70-T109 HydrophobicContact CD2-CG2 3.99Å; Y70-T109 WeakPolarHBondContact CD2-OG1 3.35Å; Y70-T109 HydrophobicContact CG-CG2 3.97Å; M74-T109 HydrophobicContact CG-CG2 3.83Å; M74-T109 HydrophobicContact SD-CG2 4.29Å; F91-T109 HydrophobicContact CE1-CG2 3.62Å; F91-T109 HydrophobicContact CZ-CG2 3.68Å; L105-T109 VanDerWaalsContact O-CB 3.29Å; L105-T109 WeakPolarHBondContact O-CB 3.39Å; L105-T109 PolarHBondContact O-N 3.47Å; L105-T109 PolarHBondContact O-OG1 3.08Å; A106-T109 PolarHBondContact O-N 3.44Å; A106-T109 VanDerWaalsContact O-N 3.16Å; T109-G111 VanDerWaalsContact C-N 3.33Å; T109-G111 PolarHBondContact O-N 3.47Å; T109-C112 PolarHBondContact O-N 2.87Å; T109-C112 VanDerWaalsContact O-N 3.13Å; T109-I113 HydrophobicContact CG2-CD1 4.13Å; T109-I113 VanDerWaalsContact O-CG1 3.29Å; T109-I113 WeakPolarHBondContact O-CG1 3.24Å; T109-I113 PolarHBondContact O-N 2.83Å
110M87.4Confident84.4Confident3 Ų338.4 Ų38.42%0.01518%0.181CC..Hα-helixtrans-58-43.7173.3-69.7-176.577.200112V88 F91 A106 C112 I113 L122V88-M110 HydrophobicContact CG1-CE 4.44Å; F91-M110 HydrophobicContact CB-CE 4.42Å; F91-M110 HydrophobicContact CB-CG 3.57Å; F91-M110 HydrophobicContact CB-SD 3.48Å; F91-M110 WeakPolarHBondContact CB-SD 3.29Å; F91-M110 HydrophobicContact CD1-CG 4.22Å; F91-M110 HydrophobicContact CD2-CG 4.02Å; F91-M110 HydrophobicContact CG-CG 3.71Å; F91-M110 HydrophobicContact CG-SD 4.31Å; A106-M110 WeakPolarHBondContact O-CG 3.46Å; A106-M110 PolarHBondContact O-N 2.72Å; M110-C112 VanDerWaalsContact C-N 3.29Å; M110-C112 PolarHBondContact O-N 3.41Å; M110-I113 PolarHBondContact O-N 3.23Å; M110-L122 HydrophobicContact CB-CD1 3.62Å; M110-L122 HydrophobicContact CB-CD2 4.37Å; M110-L122 HydrophobicContact CB-CG 4.42Å; M110-L122 HydrophobicContact CE-CB 4.09Å; M110-L122 HydrophobicContact CE-CD1 4.27Å; M110-L122 HydrophobicContact CG-CD1 4.48Å; M110-L122 HydrophobicContact SD-CD1 4.09Å
111G84.8Confident84.1Confident1 Ų142.4 Ų42.41%0.0119%0.193CC..Hα-helixtrans-65.5-27.6175.700000114.4V107 R108 T109 C144V107-G111 PolarHBondContact O-N 3.16Å; R108-G111 PolarHBondContact O-N 3.33Å; T109-G111 VanDerWaalsContact C-N 3.33Å; T109-G111 PolarHBondContact O-N 3.47Å; G111-C144 VanDerWaalsContact CA-SG 3.58Å
112C84.2Confident84.1Confident26 Ų2639.6 Ų39.618%0.17618%0.178CC..Hα-helixtrans-80.9-19.6174.3-68.20000113.3M74 R108 T109 M110 R114 K147M74-C112 HydrophobicContact CG-CB 4.18Å; M74-C112 HydrophobicContact SD-CB 3.64Å; R108-C112 PolarHBondContact O-N 3.14Å; R108-C112 PolarHBondContact O-SG 3.02Å; R108-C112 VanDerWaalsContact O-SG 3.35Å; T109-C112 PolarHBondContact O-N 2.87Å; T109-C112 VanDerWaalsContact O-N 3.13Å; M110-C112 VanDerWaalsContact C-N 3.29Å; M110-C112 PolarHBondContact O-N 3.41Å; C112-R114 VanDerWaalsContact C-N 3.29Å; C112-R114 PolarHBondContact O-N 3.33Å; C112-K147 PolarHBondContact SG-NZ 3.37Å; C112-K147 VanDerWaalsContact SG-NZ 3.37Å
113I78.4Confident84.2Confident5 Ų539.7 Ų39.73%0.02618%0.179CC..  trans-77.385174.9-65.7162.2000107.5A77 F91 T109 M110 V115 I118A77-I113 HydrophobicContact CB-CG1 4.2Å; A77-I113 HydrophobicContact CB-CG2 3.71Å; F91-I113 HydrophobicContact CD2-CD1 4.46Å; F91-I113 HydrophobicContact CE2-CD1 3.55Å; F91-I113 HydrophobicContact CZ-CD1 3.75Å; T109-I113 HydrophobicContact CG2-CD1 4.13Å; T109-I113 VanDerWaalsContact O-CG1 3.29Å; T109-I113 WeakPolarHBondContact O-CG1 3.24Å; T109-I113 PolarHBondContact O-N 2.83Å; M110-I113 PolarHBondContact O-N 3.23Å; I113-V115 HydrophobicContact CG2-CB 4.11Å; I113-V115 HydrophobicContact CG2-CG2 3.79Å; I113-V115 PolarHBondContact O-N 3.46Å; I113-I118 HydrophobicContact CG2-CD1 3.55Å
114R75.4Confident84.1Confident155 Ų15542.9 Ų42.959%0.58520%0.195SC*.  trans-69.965179-61.8-176.9177.1177-0.1111.9C112 I151C112-R114 VanDerWaalsContact C-N 3.29Å; C112-R114 PolarHBondContact O-N 3.33Å; R114-I151 HydrophobicContact CB-CD1 4.31Å; R114-I151 HydrophobicContact CB-CG1 4.47Å; R114-I151 HydrophobicContact CG-CD1 3.99Å; R114-I151 HydrophobicContact CG-CG1 4.17Å
115V76.4Confident84.1Confident14 Ų1443.3 Ų43.39%0.08520%0.198CC..  trans-128.1116.4178.9178.30000108.5P81 I113 K117 I118 T119P81-V115 HydrophobicContact CB-CG1 3.77Å; I113-V115 HydrophobicContact CG2-CB 4.11Å; I113-V115 HydrophobicContact CG2-CG2 3.79Å; I113-V115 PolarHBondContact O-N 3.46Å; V115-K117 HydrophobicContact CG1-CB 4.37Å; V115-K117 PolarHBondContact O-N 3.5Å; V115-K117 VanDerWaalsContact O-N 3.13Å; V115-I118 HydrophobicContact CB-CB 4.42Å; V115-I118 HydrophobicContact CB-CD1 4.08Å; V115-I118 HydrophobicContact CB-CG1 4.27Å; V115-I118 HydrophobicContact CG1-CD1 4.26Å; V115-I118 HydrophobicContact CG1-CG1 4.24Å; V115-I118 WeakPolarHBondContact O-CB 3.44Å; V115-I118 PolarHBondContact O-N 2.91Å; V115-T119 PolarHBondContact O-N 2.91Å
116D73.3Confident84.4Confident117 Ų11741.8 Ų41.863%0.62619%0.19SC*.Hα-helixtrans-56-35-173.9-56.3-26000113.4I118 T119D116-I118 PolarHBondContact O-N 2.87Å; D116-T119 PolarHBondContact O-N 2.93Å; D116-T119 PolarHBondContact O-OG1 3.12Å
117K74.4Confident84.6Confident116 Ų11645.1 Ų45.150%0.50420%0.203SC..Hα-helixtrans-65.2-19.1176.9-63.1-175.1-174.5178.50113.5D82 I85 V115 Y121D82-K117 IonicContact OD1-NZ 2.78Å; D82-K117 PolarHBondContact OD1-NZ 3.37Å; I85-K117 HydrophobicContact CD1-CB 4.36Å; I85-K117 HydrophobicContact CD1-CD 3.9Å; V115-K117 HydrophobicContact CG1-CB 4.37Å; V115-K117 PolarHBondContact O-N 3.5Å; V115-K117 VanDerWaalsContact O-N 3.13Å; K117-Y121 VanDerWaalsContact O-CD2 3.26Å; K117-Y121 WeakPolarHBondContact O-CD2 3.24Å; K117-Y121 VanDerWaalsContact O-CE2 3.26Å; K117-Y121 WeakPolarHBondContact O-CE2 3.32Å
118I74.8Confident84.7Confident2 Ų250.6 Ų50.61%0.0123%0.226CC..Hα-helixtrans-96.1-23.4-176.5-65.5177.2000111.5A84 V88 I113 V115 D116 E120 Y121 L122A84-I118 HydrophobicContact CB-CD1 3.63Å; V88-I118 HydrophobicContact CG2-CB 4.49Å; V88-I118 HydrophobicContact CG2-CD1 4.21Å; V88-I118 HydrophobicContact CG2-CG1 3.92Å; V88-I118 HydrophobicContact CG2-CG2 4.02Å; I113-I118 HydrophobicContact CG2-CD1 3.55Å; V115-I118 HydrophobicContact CB-CB 4.42Å; V115-I118 HydrophobicContact CB-CD1 4.08Å; V115-I118 HydrophobicContact CB-CG1 4.27Å; V115-I118 HydrophobicContact CG1-CD1 4.26Å; V115-I118 HydrophobicContact CG1-CG1 4.24Å; V115-I118 WeakPolarHBondContact O-CB 3.44Å; V115-I118 PolarHBondContact O-N 2.91Å; D116-I118 PolarHBondContact O-N 2.87Å; I118-E120 VanDerWaalsContact C-N 3.35Å; I118-E120 PolarHBondContact O-N 2.97Å; I118-Y121 PolarHBondContact O-N 3.43Å; I118-Y121 VanDerWaalsContact O-N 3.07Å; I118-L122 PolarHBondContact O-N 3.02Å
119T80.1Confident84.9Confident7 Ų748 Ų484%0.04322%0.217CC..Hα-helixtrans-60.5-40.8-17556.70000112.6V115 D116 Y121 L122 C123 L148 I151V115-T119 PolarHBondContact O-N 2.91Å; D116-T119 PolarHBondContact O-N 2.93Å; D116-T119 PolarHBondContact O-OG1 3.12Å; T119-Y121 VanDerWaalsContact C-N 3.25Å; T119-Y121 PolarHBondContact O-N 3.35Å; T119-L122 WeakPolarHBondContact O-CB 3.44Å; T119-L122 PolarHBondContact O-N 2.87Å; T119-C123 PolarHBondContact O-N 2.73Å; T119-L148 HydrophobicContact CG2-CD1 3.91Å; T119-I151 HydrophobicContact CG2-CB 4.46Å; T119-I151 HydrophobicContact CG2-CD1 4.5Å; T119-I151 HydrophobicContact CG2-CG2 3.72Å
120E82.6Confident85.3Confident137 Ų13748.2 Ų48.264%0.6422%0.218SC*.Hα-helixtrans-58.5-37.5176.1-70-177-174.400112.4I118 L122 C123 M155I118-E120 VanDerWaalsContact C-N 3.35Å; I118-E120 PolarHBondContact O-N 2.97Å; E120-L122 VanDerWaalsContact C-N 3.28Å; E120-L122 PolarHBondContact O-N 3.3Å; E120-C123 PolarHBondContact O-N 3.08Å; E120-M155 HydrophobicContact CG-CE 3.51Å
121Y84.8Confident85.7Confident119 Ų11955.6 Ų55.647%0.46725%0.25SC..Hα-helixtrans-76.2-15.5179-61.4-81.2000113.3V88 K117 I118 T119 P125V88-Y121 VanDerWaalsContact CG1-CB 3.43Å; V88-Y121 HydrophobicContact CG1-CD1 4.03Å; V88-Y121 HydrophobicContact CG1-CD2 4.22Å; V88-Y121 HydrophobicContact CG1-CG 3.65Å; K117-Y121 VanDerWaalsContact O-CD2 3.26Å; K117-Y121 WeakPolarHBondContact O-CD2 3.24Å; K117-Y121 VanDerWaalsContact O-CE2 3.26Å; K117-Y121 WeakPolarHBondContact O-CE2 3.32Å; I118-Y121 PolarHBondContact O-N 3.43Å; I118-Y121 VanDerWaalsContact O-N 3.07Å; T119-Y121 VanDerWaalsContact C-N 3.25Å; T119-Y121 PolarHBondContact O-N 3.35Å; Y121-P125 WeakPolarHBondContact O-CD 3.4Å; Y121-P125 WeakPolarHBondContact O-CG 3.46Å
122L88.9Confident86.2Confident3 Ų356.6 Ų56.62%0.01626%0.255CS..Hα-helixtrans-79.9-27175.6177.456.5000112.1V107 M110 I118 T119 E120 E124 P125 L126 L148V107-L122 HydrophobicContact CG2-CD1 3.99Å; M110-L122 HydrophobicContact CB-CD1 3.62Å; M110-L122 HydrophobicContact CB-CD2 4.37Å; M110-L122 HydrophobicContact CB-CG 4.42Å; M110-L122 HydrophobicContact CE-CB 4.09Å; M110-L122 HydrophobicContact CE-CD1 4.27Å; M110-L122 HydrophobicContact CG-CD1 4.48Å; M110-L122 HydrophobicContact SD-CD1 4.09Å; I118-L122 PolarHBondContact O-N 3.02Å; T119-L122 WeakPolarHBondContact O-CB 3.44Å; T119-L122 PolarHBondContact O-N 2.87Å; E120-L122 VanDerWaalsContact C-N 3.28Å; E120-L122 PolarHBondContact O-N 3.3Å; L122-E124 PolarHBondContact O-N 2.92Å; L122-P125 WeakPolarHBondContact O-CD 3.48Å; L122-L126 HydrophobicContact CD1-CB 4.17Å; L122-L126 HydrophobicContact CG-CB 4.26Å; L122-L126 WeakPolarHBondContact O-CB 3.43Å; L122-L126 PolarHBondContact O-N 3.38Å; L122-L148 HydrophobicContact CD2-CD1 4.31Å; L122-L148 HydrophobicContact CD2-CD2 4.43Å
123C90.7Very high86.7Confident5 Ų563.8 Ų63.83%0.03429%0.286CS..Hα-helixtrans-56.1-53-173-63.10000113T119 E120 L126 R127 M155 F161T119-C123 PolarHBondContact O-N 2.73Å; E120-C123 PolarHBondContact O-N 3.08Å; C123-L126 PolarHBondContact O-N 2.93Å; C123-R127 WeakPolarHBondContact O-CB 3.38Å; C123-R127 PolarHBondContact O-N 2.94Å; C123-M155 VanDerWaalsContact SG-SD 3.62Å; C123-F161 HydrophobicContact CB-CE2 4.09Å; C123-F161 HydrophobicContact CB-CZ 4Å; C123-F161 VanDerWaalsContact O-CZ 3.31Å; C123-F161 WeakPolarHBondContact O-CZ 3.37Å
124E90.4Very high87.6Confident101 Ų10165.9 Ų65.947%0.47230%0.297SS..Hα-helixtrans-65.3-48.7-178.8-69.7-57.5139.300113.1L122 L126 R127 K128L122-E124 PolarHBondContact O-N 2.92Å; E124-L126 VanDerWaalsContact C-N 3.32Å; E124-L126 PolarHBondContact O-N 3.26Å; E124-R127 PolarHBondContact O-N 3.24Å; E124-R127 IonicContact OE1-CZ 3.88Å; E124-R127 IonicContact OE1-NH1 2.76Å; E124-R127 PolarHBondContact OE1-NH1 2.83Å; E124-R127 IonicContact OE2-NH1 3.71Å; E124-K128 PolarHBondContact O-N 3.24Å; E124-K128 VanDerWaalsContact O-N 3.15Å
125P92.5Very high88.4Confident10 Ų1060.3 Ų60.37%0.06528%0.281CS..Hα-helixtrans-56-43.2172.3-26.533.5000113.7V92 C95 Y121 L122 K128 C129V92-P125 HydrophobicContact CG1-CG 4.41Å; V92-P125 HydrophobicContact CG2-CG 3.97Å; C95-P125 HydrophobicContact CB-CB 3.99Å; Y121-P125 WeakPolarHBondContact O-CD 3.4Å; Y121-P125 WeakPolarHBondContact O-CG 3.46Å; L122-P125 WeakPolarHBondContact O-CD 3.48Å; P125-K128 PolarHBondContact O-N 2.64Å; P125-C129 WeakPolarHBondContact O-CB 3.49Å; P125-C129 PolarHBondContact O-N 3.24Å; P125-C129 PolarHBondContact O-SG 2.76Å
126L94.1Very high89.2Confident0 Ų062 Ų620%029%0.287CS..Hα-helixtrans-63.1-44.4180-178.959.7000111.3V107 L122 C123 E124 K128 C129 L130 A141 C144 V145 L148 F161V107-L126 HydrophobicContact CG2-CB 4.44Å; V107-L126 HydrophobicContact CG2-CD1 3.81Å; L122-L126 HydrophobicContact CD1-CB 4.17Å; L122-L126 HydrophobicContact CG-CB 4.26Å; L122-L126 WeakPolarHBondContact O-CB 3.43Å; L122-L126 PolarHBondContact O-N 3.38Å; C123-L126 PolarHBondContact O-N 2.93Å; E124-L126 VanDerWaalsContact C-N 3.32Å; E124-L126 PolarHBondContact O-N 3.26Å; L126-K128 VanDerWaalsContact C-N 3.31Å; L126-K128 PolarHBondContact O-N 3.19Å; L126-C129 PolarHBondContact O-N 3.16Å; L126-C129 VanDerWaalsContact O-N 3.15Å; L126-L130 HydrophobicContact CG-CD1 4.36Å; L126-L130 WeakPolarHBondContact O-CG 3.44Å; L126-L130 PolarHBondContact O-N 3.4Å; L126-A141 HydrophobicContact CD1-CB 4Å; L126-C144 HydrophobicContact CD1-CB 3.81Å; L126-V145 HydrophobicContact CD1-CG2 4.29Å; L126-V145 HydrophobicContact CD2-CG2 4.03Å; L126-V145 HydrophobicContact CG-CG2 4.35Å; L126-L148 HydrophobicContact CD2-CD2 3.73Å; L126-F161 HydrophobicContact CB-CE1 4.24Å; L126-F161 HydrophobicContact CB-CZ 4.4Å; L126-F161 HydrophobicContact CD2-CD1 4.26Å; L126-F161 HydrophobicContact CD2-CE1 4.06Å; L126-F161 HydrophobicContact CD2-CZ 4.23Å; L126-F161 HydrophobicContact CG-CD1 4.39Å; L126-F161 HydrophobicContact CG-CE1 3.98Å; L126-F161 HydrophobicContact CG-CZ 4.45Å
127R94.4Very high90.3Very high70 Ų7056.5 Ų56.526%0.26426%0.257SS..Hα-helixtrans-59.9-40.3177.2-172.9178.1-71143.3-2.5112.1C123 E124 Q159 F161C123-R127 WeakPolarHBondContact O-CB 3.38Å; C123-R127 PolarHBondContact O-N 2.94Å; E124-R127 PolarHBondContact O-N 3.24Å; E124-R127 IonicContact OE1-CZ 3.88Å; E124-R127 IonicContact OE1-NH1 2.76Å; E124-R127 PolarHBondContact OE1-NH1 2.83Å; E124-R127 IonicContact OE2-NH1 3.71Å; R127-Q159 PolarHBondContact NH2-O 2.84Å; R127-Q159 VanDerWaalsContact NH2-O 3.15Å; R127-F161 HydrophobicContact CB-CE1 3.93Å; R127-F161 HydrophobicContact CB-CZ 4.39Å
128K93.9Very high91.4Very high114 Ų11452.1 Ų52.150%0.49624%0.237SC..Hα-helixtrans-66-45.5173.7-67-177.2-171.9-175.80111.3E96 E124 P125 L126 L130 K131 D132E96-K128 IonicContact OE1-NZ 2.62Å; E96-K128 PolarHBondContact OE1-NZ 3.39Å; E124-K128 PolarHBondContact O-N 3.24Å; E124-K128 VanDerWaalsContact O-N 3.15Å; P125-K128 PolarHBondContact O-N 2.64Å; L126-K128 VanDerWaalsContact C-N 3.31Å; L126-K128 PolarHBondContact O-N 3.19Å; K128-L130 VanDerWaalsContact C-N 3.32Å; K128-L130 PolarHBondContact O-N 3.47Å; K128-K131 CarbonylContact O-C 2.96Å; K128-K131 PolarHBondContact O-N 3.45Å; K128-D132 PolarHBondContact O-N 3.25Å; K128-D132 VanDerWaalsContact O-N 3.14Å
129C95.4Very high92.3Very high1 Ų153.4 Ų53.41%0.00724%0.243CC..Hα-helixtrans-65.4-31.3-178.6-680000113.3V107 P125 L126 K131 D132 V137 A141V107-C129 HydrophobicContact CG1-CB 4.42Å; V107-C129 HydrophobicContact CG2-CB 4.28Å; P125-C129 WeakPolarHBondContact O-CB 3.49Å; P125-C129 PolarHBondContact O-N 3.24Å; P125-C129 PolarHBondContact O-SG 2.76Å; L126-C129 PolarHBondContact O-N 3.16Å; L126-C129 VanDerWaalsContact O-N 3.15Å; C129-K131 PolarHBondContact O-N 3.28Å; C129-D132 WeakPolarHBondContact O-CB 3.43Å; C129-D132 PolarHBondContact O-N 2.69Å; C129-V137 HydrophobicContact CB-CG1 3.79Å; C129-A141 HydrophobicContact CB-CB 3.76Å
130L95.4Very high93Very high6 Ų653.9 Ų53.93%0.03125%0.245CC..Hα-helixtrans-64.3-23.8173.5-73.8167.4000112.8L126 K128 R138 A141 V145 F161 L168L126-L130 HydrophobicContact CG-CD1 4.36Å; L126-L130 WeakPolarHBondContact O-CG 3.44Å; L126-L130 PolarHBondContact O-N 3.4Å; K128-L130 VanDerWaalsContact C-N 3.32Å; K128-L130 PolarHBondContact O-N 3.47Å; L130-R138 WeakPolarHBondContact O-CD 3.4Å; L130-A141 HydrophobicContact CD2-CB 3.76Å; L130-A141 HydrophobicContact CG-CB 3.96Å; L130-V145 HydrophobicContact CD1-CG2 3.99Å; L130-V145 HydrophobicContact CD2-CG2 4.01Å; L130-V145 HydrophobicContact CG-CG2 4.49Å; L130-F161 HydrophobicContact CD1-CD1 3.64Å; L130-F161 HydrophobicContact CD1-CE1 4.08Å; L130-L168 HydrophobicContact CD2-CD1 3.63Å
131K94.9Very high93.6Very high158 Ų15847.3 Ų47.369%0.68722%0.215SC*.THydrogen-bonded Turntrans-112.819178.4-58.6-176.6-178-177.60112.3K128 C129K128-K131 CarbonylContact O-C 2.96Å; K128-K131 PolarHBondContact O-N 3.45Å; C129-K131 PolarHBondContact O-N 3.28Å
132D96.2Very high94.1Very high23 Ų2341.7 Ų41.712%0.12319%0.193CC..  trans-65149.6179.8-160.9-75.9000110.7R103 K128 C129 D134 V137 R138R103-D132 IonicContact CZ-OD1 2.7Å; R103-D132 IonicContact CZ-OD2 3.41Å; R103-D132 IonicContact NE-OD1 3.79Å; R103-D132 IonicContact NE-OD2 3.67Å; R103-D132 PolarHBondContact NE-OD2 3.41Å; R103-D132 IonicContact NH2-OD1 2.8Å; R103-D132 PolarHBondContact NH2-OD1 3.05Å; R103-D132 IonicContact NH2-OD2 3.69Å; R103-D132 PolarHBondContact NH2-OD2 2.89Å; K128-D132 PolarHBondContact O-N 3.25Å; K128-D132 VanDerWaalsContact O-N 3.14Å; C129-D132 WeakPolarHBondContact O-CB 3.43Å; C129-D132 PolarHBondContact O-N 2.69Å; D132-D134 PolarHBondContact O-N 3.28Å; D132-D134 WeakPolarHBondContact OD1-CB 3.33Å; D132-D134 PolarHBondContact OD1-N 2.83Å; D132-V137 HydrophobicContact CB-CB 3.79Å; D132-V137 HydrophobicContact CB-CG1 3.66Å; D132-R138 HydrophobicContact CB-CG 4.2Å; D132-R138 WeakPolarHBondContact O-CD 3.45Å; D132-R138 VanDerWaalsContact O-CG 3.3Å; D132-R138 WeakPolarHBondContact O-CG 3.19Å; D132-R138 PolarHBondContact O-NH1 3.4Å
133E93.9Very high94.3Very high177 Ų17744 Ų4483%0.82721%0.207SC*.SBendtrans-63.1-34.9175.8-62.9-63.3152.700111.4R138E133-R138 PolarHBondContact O-NH1 2.99Å
134D96.1Very high94.4Very high48 Ų4843.9 Ų43.926%0.25721%0.206SC..SBendtrans-85.2123-176-169.5-73.7000112.1P100 D132 Y136 V137 R138P100-D134 HydrophobicContact CB-CB 3.76Å; P100-D134 VanDerWaalsContact CB-CG 3.49Å; D132-D134 PolarHBondContact O-N 3.28Å; D132-D134 WeakPolarHBondContact OD1-CB 3.33Å; D132-D134 PolarHBondContact OD1-N 2.83Å; D134-Y136 VanDerWaalsContact C-N 3.26Å; D134-Y136 PolarHBondContact O-N 3.03Å; D134-Y136 WeakPolarHBondContact OD1-CA 3.26Å; D134-Y136 WeakPolarHBondContact OD1-CB 3.32Å; D134-Y136 PolarHBondContact OD1-N 3.12Å; D134-V137 HydrophobicContact CB-CG2 4.03Å; D134-V137 PolarHBondContact O-N 3.31Å; D134-V137 VanDerWaalsContact O-N 3.11Å; D134-V137 PolarHBondContact OD1-N 3.42Å; D134-R138 PolarHBondContact O-N 3.25Å
135P93.5Very high94.5Very high39 Ų3939.1 Ų39.125%0.25318%0.184SC..Hα-helixtrans-61.6-29.1179.8-23.233.1000114.5V137 R138 K139 N173 V176P135-V137 VanDerWaalsContact C-N 3.29Å; P135-V137 PolarHBondContact O-N 2.97Å; P135-R138 PolarHBondContact O-N 3.02Å; P135-K139 PolarHBondContact O-N 3.4Å; P135-N173 HydrophobicContact CB-CB 3.76Å; P135-N173 HydrophobicContact CG-CB 4.08Å; P135-V176 HydrophobicContact CB-CG2 3.94Å; P135-V176 VanDerWaalsContact O-CG2 3.31Å; P135-V176 WeakPolarHBondContact O-CG2 3.47Å
136Y93.3Very high94.4Very high50 Ų5038.7 Ų38.720%0.19618%0.181CC..Hα-helixtrans-66.9-34.4177.4-174.3-85.7000111.1L101 A104 D134 K139 T140L101-Y136 HydrophobicContact CD2-CD1 4.09Å; L101-Y136 HydrophobicContact CD2-CE1 3.9Å; A104-Y136 HydrophobicContact CB-CD1 3.55Å; A104-Y136 HydrophobicContact CB-CE1 3.51Å; D134-Y136 VanDerWaalsContact C-N 3.26Å; D134-Y136 PolarHBondContact O-N 3.03Å; D134-Y136 WeakPolarHBondContact OD1-CA 3.26Å; D134-Y136 WeakPolarHBondContact OD1-CB 3.32Å; D134-Y136 PolarHBondContact OD1-N 3.12Å; Y136-K139 HydrophobicContact CD2-CD 4.41Å; Y136-K139 VanDerWaalsContact CE2-CE 3.41Å; Y136-K139 VanDerWaalsContact CE2-NZ 3.29Å; Y136-K139 VanDerWaalsContact O-CG 3.26Å; Y136-K139 WeakPolarHBondContact O-CG 3.46Å; Y136-T140 WeakPolarHBondContact O-CB 3.2Å; Y136-T140 PolarHBondContact O-N 3.45Å; Y136-T140 PolarHBondContact O-OG1 3.41Å
137V96.3Very high94.2Very high0 Ų040.5 Ų40.50%019%0.189CC..Hα-helixtrans-70.8-47.9174-177.50000110.1P100 R103 A104 C129 D132 D134 P135 K139 T140 A141P100-V137 HydrophobicContact CB-CG2 3.77Å; P100-V137 WeakPolarHBondContact O-CG2 3.37Å; R103-V137 HydrophobicContact CB-CG1 4.36Å; R103-V137 HydrophobicContact CB-CG2 4.11Å; A104-V137 HydrophobicContact CB-CG2 4.18Å; C129-V137 HydrophobicContact CB-CG1 3.79Å; D132-V137 HydrophobicContact CB-CB 3.79Å; D132-V137 HydrophobicContact CB-CG1 3.66Å; D134-V137 HydrophobicContact CB-CG2 4.03Å; D134-V137 PolarHBondContact O-N 3.31Å; D134-V137 VanDerWaalsContact O-N 3.11Å; D134-V137 PolarHBondContact OD1-N 3.42Å; P135-V137 VanDerWaalsContact C-N 3.29Å; P135-V137 PolarHBondContact O-N 2.97Å; V137-K139 PolarHBondContact O-N 3.32Å; V137-T140 WeakPolarHBondContact O-CB 3.3Å; V137-T140 PolarHBondContact O-N 2.91Å; V137-T140 VanDerWaalsContact O-N 3.12Å; V137-A141 WeakPolarHBondContact O-CB 3.25Å; V137-A141 PolarHBondContact O-N 3.33Å
138R97.2Very high94Very high24 Ų2437.1 Ų37.19%0.09118%0.176CC..Hα-helixtrans-59.4-45.1178.8-63.9-160.5-59.1-78.92.5113.1L130 D132 E133 D134 P135 T140 A141 A142 D171 V176L130-R138 WeakPolarHBondContact O-CD 3.4Å; D132-R138 HydrophobicContact CB-CG 4.2Å; D132-R138 WeakPolarHBondContact O-CD 3.45Å; D132-R138 VanDerWaalsContact O-CG 3.3Å; D132-R138 WeakPolarHBondContact O-CG 3.19Å; D132-R138 PolarHBondContact O-NH1 3.4Å; E133-R138 PolarHBondContact O-NH1 2.99Å; D134-R138 PolarHBondContact O-N 3.25Å; P135-R138 PolarHBondContact O-N 3.02Å; R138-T140 VanDerWaalsContact C-N 3.26Å; R138-T140 PolarHBondContact O-N 2.87Å; R138-A141 WeakPolarHBondContact O-CB 3.31Å; R138-A141 PolarHBondContact O-N 3.2Å; R138-A142 PolarHBondContact O-N 3.19Å; R138-D171 IonicContact CZ-OD1 2.73Å; R138-D171 IonicContact CZ-OD2 3.07Å; R138-D171 IonicContact NE-OD1 2.77Å; R138-D171 IonicContact NE-OD2 2.68Å; R138-D171 PolarHBondContact NE-OD2 2.85Å; R138-D171 IonicContact NH2-OD1 3.1Å; R138-D171 PolarHBondContact NH2-OD1 3.15Å; R138-D171 IonicContact NH2-OD2 2.73Å; R138-D171 PolarHBondContact NH2-OD2 3.26Å; R138-V176 HydrophobicContact CB-CG1 4.04Å; R138-V176 HydrophobicContact CB-CG2 3.98Å
139K94Very high93.7Very high30 Ų3031.9 Ų31.913%0.1315%0.154CC..Hα-helixtrans-61.5-37.4176.776.5177.8-174178.40111.7P135 Y136 V137 A142 V143 M175 V176 N179P135-K139 PolarHBondContact O-N 3.4Å; Y136-K139 HydrophobicContact CD2-CD 4.41Å; Y136-K139 VanDerWaalsContact CE2-CE 3.41Å; Y136-K139 VanDerWaalsContact CE2-NZ 3.29Å; Y136-K139 VanDerWaalsContact O-CG 3.26Å; Y136-K139 WeakPolarHBondContact O-CG 3.46Å; V137-K139 PolarHBondContact O-N 3.32Å; K139-A142 WeakPolarHBondContact O-CB 3.29Å; K139-A142 PolarHBondContact O-N 2.97Å; K139-V143 PolarHBondContact O-N 2.69Å; K139-M175 HydrophobicContact CD-CB 4.28Å; K139-V176 HydrophobicContact CB-CG2 4.12Å; K139-N179 HydrophobicContact CB-CB 4.25Å
140T94Very high93.2Very high16 Ų1635.5 Ų35.510%0.09817%0.173CC..Hα-helixtrans-72-37.9-180-56.80000110.7A104 V107 R108 Y136 V137 R138 V143 C144A104-T140 HydrophobicContact CB-CG2 4.19Å; A104-T140 WeakPolarHBondContact O-CG2 3.19Å; V107-T140 HydrophobicContact CG1-CG2 4.18Å; R108-T140 HydrophobicContact CB-CG2 3.66Å; R108-T140 HydrophobicContact CG-CG2 4.38Å; Y136-T140 WeakPolarHBondContact O-CB 3.2Å; Y136-T140 PolarHBondContact O-N 3.45Å; Y136-T140 PolarHBondContact O-OG1 3.41Å; V137-T140 WeakPolarHBondContact O-CB 3.3Å; V137-T140 PolarHBondContact O-N 2.91Å; V137-T140 VanDerWaalsContact O-N 3.12Å; R138-T140 VanDerWaalsContact C-N 3.26Å; R138-T140 PolarHBondContact O-N 2.87Å; T140-V143 PolarHBondContact O-N 2.68Å; T140-C144 WeakPolarHBondContact O-CB 3.34Å; T140-C144 PolarHBondContact O-N 2.95Å; T140-C144 VanDerWaalsContact O-N 3.07Å
141A96.3Very high92.7Very high0 Ų037.1 Ų37.10%018%0.181CC..Hα-helixtrans-62.7-41.2173.100000111.7L126 C129 L130 V137 R138 V143 C144 V145L126-A141 HydrophobicContact CD1-CB 4Å; C129-A141 HydrophobicContact CB-CB 3.76Å; L130-A141 HydrophobicContact CD2-CB 3.76Å; L130-A141 HydrophobicContact CG-CB 3.96Å; V137-A141 WeakPolarHBondContact O-CB 3.25Å; V137-A141 PolarHBondContact O-N 3.33Å; R138-A141 WeakPolarHBondContact O-CB 3.31Å; R138-A141 PolarHBondContact O-N 3.2Å; A141-V143 PolarHBondContact O-N 3.28Å; A141-C144 WeakPolarHBondContact O-CA 3.32Å; A141-C144 VanDerWaalsContact O-CB 3.32Å; A141-C144 WeakPolarHBondContact O-CB 3.46Å; A141-C144 PolarHBondContact O-N 2.95Å; A141-V145 PolarHBondContact O-N 2.75Å
142A95.1Very high92.3Very high0 Ų032.2 Ų32.20%016%0.162CC..Hα-helixtrans-56.6-47.6176.300000112.5R138 K139 C144 V145 L165 L168 N179 A183R138-A142 PolarHBondContact O-N 3.19Å; K139-A142 WeakPolarHBondContact O-CB 3.29Å; K139-A142 PolarHBondContact O-N 2.97Å; A142-C144 VanDerWaalsContact C-N 3.29Å; A142-C144 PolarHBondContact O-N 2.78Å; A142-V145 WeakPolarHBondContact O-CB 3.5Å; A142-V145 PolarHBondContact O-N 3.11Å; A142-L165 HydrophobicContact CB-CD1 3.68Å; A142-L168 HydrophobicContact CB-CD1 3.93Å; A142-N179 HydrophobicContact CB-CB 4.47Å; A142-A183 WeakPolarHBondContact O-CB 3.48Å
143V92.9Very high91.8Very high53 Ų5332.1 Ų32.132%0.32117%0.165SC..Hα-helixtrans-63.5-36.9174.9178.70000111.5K139 T140 A141 V145 A146 K147 N179K139-V143 PolarHBondContact O-N 2.69Å; T140-V143 PolarHBondContact O-N 2.68Å; A141-V143 PolarHBondContact O-N 3.28Å; V143-V145 VanDerWaalsContact C-N 3.28Å; V143-V145 PolarHBondContact O-N 2.84Å; V143-A146 PolarHBondContact O-N 3.49Å; V143-K147 PolarHBondContact O-N 3.22Å; V143-N179 HydrophobicContact CG2-CB 4.13Å; V143-N179 WeakPolarHBondContact CG2-OD1 3.48Å
144C93Very high91.4Very high2 Ų228.9 Ų28.91%0.01415%0.15CC..Hα-helixtrans-64.2-31.7177.7-166.10000112.5V107 G111 L126 T140 A141 A142 K147 L148V107-C144 HydrophobicContact CG2-CB 4.42Å; V107-C144 PolarHBondContact O-SG 2.93Å; G111-C144 VanDerWaalsContact CA-SG 3.58Å; L126-C144 HydrophobicContact CD1-CB 3.81Å; T140-C144 WeakPolarHBondContact O-CB 3.34Å; T140-C144 PolarHBondContact O-N 2.95Å; T140-C144 VanDerWaalsContact O-N 3.07Å; A141-C144 WeakPolarHBondContact O-CA 3.32Å; A141-C144 VanDerWaalsContact O-CB 3.32Å; A141-C144 WeakPolarHBondContact O-CB 3.46Å; A141-C144 PolarHBondContact O-N 2.95Å; A142-C144 VanDerWaalsContact C-N 3.29Å; A142-C144 PolarHBondContact O-N 2.78Å; C144-K147 PolarHBondContact O-N 3.08Å; C144-L148 WeakPolarHBondContact O-CB 3.22Å; C144-L148 PolarHBondContact O-N 2.98Å
145V93.2Very high90.9Very high0 Ų027.8 Ų27.80%014%0.143CC..Hα-helixtrans-61.4-45.6173.6176.30000111.2L126 L130 A141 A142 V143 L148 H149 V156 F161 L165 I187L126-V145 HydrophobicContact CD1-CG2 4.29Å; L126-V145 HydrophobicContact CD2-CG2 4.03Å; L126-V145 HydrophobicContact CG-CG2 4.35Å; L130-V145 HydrophobicContact CD1-CG2 3.99Å; L130-V145 HydrophobicContact CD2-CG2 4.01Å; L130-V145 HydrophobicContact CG-CG2 4.49Å; A141-V145 PolarHBondContact O-N 2.75Å; A142-V145 WeakPolarHBondContact O-CB 3.5Å; A142-V145 PolarHBondContact O-N 3.11Å; V143-V145 VanDerWaalsContact C-N 3.28Å; V143-V145 PolarHBondContact O-N 2.84Å; V145-L148 PolarHBondContact O-N 3.27Å; V145-H149 WeakPolarHBondContact O-CB 3.21Å; V145-H149 PolarHBondContact O-N 2.75Å; V145-V156 HydrophobicContact CG1-CG1 3.98Å; V145-F161 HydrophobicContact CG1-CB 4.08Å; V145-F161 HydrophobicContact CG2-CB 4.5Å; V145-L165 HydrophobicContact CB-CD2 4.28Å; V145-L165 HydrophobicContact CG1-CB 4.48Å; V145-L165 HydrophobicContact CG1-CD2 3.91Å; V145-I187 HydrophobicContact CG1-CD1 4.43Å
146A90.2Very high90.7Very high1 Ų126 Ų261%0.00813%0.131CC..Hα-helixtrans-60-47.2176.200000111.5V143 L148 H149 D150 A183 I187V143-A146 PolarHBondContact O-N 3.49Å; A146-L148 VanDerWaalsContact C-N 3.33Å; A146-L148 PolarHBondContact O-N 3.47Å; A146-H149 VanDerWaalsContact O-CB 3.31Å; A146-H149 WeakPolarHBondContact O-CB 3.4Å; A146-H149 PolarHBondContact O-N 2.91Å; A146-H149 VanDerWaalsContact O-N 3.08Å; A146-D150 PolarHBondContact O-N 3.41Å; A146-A183 HydrophobicContact CB-CB 3.88Å; A146-I187 HydrophobicContact CB-CD1 4.32Å; A146-I187 HydrophobicContact CB-CG1 4.19Å
147K89.2Confident90.4Very high38 Ų3827.3 Ų27.317%0.16514%0.14CC..Hα-helixtrans-61.9-38.5176.9-64.9-166.7176.4-155.70113.2C112 V143 C144 H149 I151 D630C112-K147 PolarHBondContact SG-NZ 3.37Å; C112-K147 VanDerWaalsContact SG-NZ 3.37Å; V143-K147 PolarHBondContact O-N 3.22Å; C144-K147 PolarHBondContact O-N 3.08Å; K147-H149 VanDerWaalsContact C-N 3.31Å; K147-I151 WeakPolarHBondContact O-CD1 3.32Å; K147-I151 WeakPolarHBondContact O-CG1 3.41Å; K147-I151 PolarHBondContact O-N 3.43Å; K147-D630 IonicContact NZ-OD2 3.5Å; K147-D630 PolarHBondContact NZ-OD2 3.43Å
148L89.3Confident90Very high0 Ų032.8 Ų32.80%017%0.169CC..Hα-helixtrans-68-35.8176-178.558.6000111.1T119 L122 L126 C144 V145 A146 I151 N152 V156 F161T119-L148 HydrophobicContact CG2-CD1 3.91Å; L122-L148 HydrophobicContact CD2-CD1 4.31Å; L122-L148 HydrophobicContact CD2-CD2 4.43Å; L126-L148 HydrophobicContact CD2-CD2 3.73Å; C144-L148 WeakPolarHBondContact O-CB 3.22Å; C144-L148 PolarHBondContact O-N 2.98Å; V145-L148 PolarHBondContact O-N 3.27Å; A146-L148 VanDerWaalsContact C-N 3.33Å; A146-L148 PolarHBondContact O-N 3.47Å; L148-I151 PolarHBondContact O-N 3.29Å; L148-I151 VanDerWaalsContact O-N 3.17Å; L148-N152 PolarHBondContact O-N 3.42Å; L148-V156 HydrophobicContact CB-CG2 4.07Å; L148-V156 HydrophobicContact CD2-CG2 3.95Å; L148-V156 HydrophobicContact CG-CG2 3.6Å; L148-F161 HydrophobicContact CD2-CE2 4.43Å
149H87.9Confident89.6Confident4 Ų435.2 Ų35.22%0.01918%0.181CC..Hα-helixtrans-63.7-40.8176.9-171.2-74.7000111.7V145 A146 K147 I151 N152 A153 V156 I187 H191V145-H149 WeakPolarHBondContact O-CB 3.21Å; V145-H149 PolarHBondContact O-N 2.75Å; A146-H149 VanDerWaalsContact O-CB 3.31Å; A146-H149 WeakPolarHBondContact O-CB 3.4Å; A146-H149 PolarHBondContact O-N 2.91Å; A146-H149 VanDerWaalsContact O-N 3.08Å; K147-H149 VanDerWaalsContact C-N 3.31Å; H149-I151 PolarHBondContact O-N 3.06Å; H149-N152 CarbonylContact O-C 3.54Å; H149-N152 PolarHBondContact O-N 2.83Å; H149-A153 WeakPolarHBondContact CE1-CB 3.34Å; H149-A153 WeakPolarHBondContact O-CA 3.32Å; H149-A153 PolarHBondContact O-N 2.91Å; H149-V156 HydrophobicContact CB-CB 4.44Å; H149-V156 HydrophobicContact CB-CG1 4.32Å; H149-V156 HydrophobicContact CB-CG2 4.15Å; H149-I187 HydrophobicContact CB-CD1 4.25Å; H149-I187 HydrophobicContact CB-CG1 4.13Å; H149-H191 AromaticContact CE1-CD2 3.31Å; H149-H191 PolarHBondContact CE1-CD2 3.23Å; H149-H191 AromaticContact CE1-NE2 3.48Å; H149-H191 PolarHBondContact CE1-NE2 3Å
150D85.5Confident89.3Confident77 Ų7734.9 Ų34.941%0.41219%0.186SC..Hα-helixtrans-60.5-29.4174-67.2-17.2000113.3A146A146-D150 PolarHBondContact O-N 3.41Å
151I84.6Confident89.3Confident40 Ų4034.1 Ų34.121%0.20518%0.182CC..Hα-helixtrans-85.3-48179.5-57.8161.7000110.4R114 T119 K147 L148 H149R114-I151 HydrophobicContact CB-CD1 4.31Å; R114-I151 HydrophobicContact CB-CG1 4.47Å; R114-I151 HydrophobicContact CG-CD1 3.99Å; R114-I151 HydrophobicContact CG-CG1 4.17Å; T119-I151 HydrophobicContact CG2-CB 4.46Å; T119-I151 HydrophobicContact CG2-CD1 4.5Å; T119-I151 HydrophobicContact CG2-CG2 3.72Å; K147-I151 WeakPolarHBondContact O-CD1 3.32Å; K147-I151 WeakPolarHBondContact O-CG1 3.41Å; K147-I151 PolarHBondContact O-N 3.43Å; L148-I151 PolarHBondContact O-N 3.29Å; L148-I151 VanDerWaalsContact O-N 3.17Å; H149-I151 PolarHBondContact O-N 3.06Å
152N85.9Confident88.9Confident54 Ų5434.8 Ų34.829%0.28919%0.185SC..  trans-148.883.6-176.9-169.4-19.5000111.6L148 H149 Q154 M155 V156L148-N152 PolarHBondContact O-N 3.42Å; H149-N152 CarbonylContact O-C 3.54Å; H149-N152 PolarHBondContact O-N 2.83Å; N152-Q154 PolarHBondContact O-N 3.25Å; N152-M155 HydrophobicContact CB-CB 4.1Å; N152-M155 VanDerWaalsContact CG-CB 3.46Å; N152-M155 PolarHBondContact O-N 2.91Å; N152-M155 WeakPolarHBondContact OD1-CB 3.3Å; N152-M155 PolarHBondContact OD1-N 3.3Å; N152-V156 PolarHBondContact O-N 2.67Å
153A85.7Confident88.7Confident21 Ų2139.2 Ų39.217%0.17421%0.209CC..Hα-helixtrans-55.2-46.2178.300000113H149 M155 V156 E157H149-A153 WeakPolarHBondContact CE1-CB 3.34Å; H149-A153 WeakPolarHBondContact O-CA 3.32Å; H149-A153 PolarHBondContact O-N 2.91Å; A153-M155 VanDerWaalsContact C-N 3.31Å; A153-M155 PolarHBondContact O-N 3.22Å; A153-V156 PolarHBondContact O-N 2.93Å; A153-E157 PolarHBondContact O-N 3.2Å
154Q85.8Confident88.6Confident109 Ų10937.9 Ų37.951%0.50920%0.202SC..Hα-helixtrans-57.2-44.4-178.9-175.264.142.700111.7N152 V156 E157 D158N152-Q154 PolarHBondContact O-N 3.25Å; Q154-V156 VanDerWaalsContact C-N 3.33Å; Q154-V156 PolarHBondContact O-N 3.06Å; Q154-E157 PolarHBondContact O-N 3.27Å; Q154-D158 PolarHBondContact NE2-OD1 3Å; Q154-D158 PolarHBondContact NE2-OD2 2.85Å; Q154-D158 VanDerWaalsContact NE2-OD2 3.16Å; Q154-D158 WeakPolarHBondContact O-CB 3.39Å; Q154-D158 PolarHBondContact O-N 2.98Å
155M87Confident88.5Confident26 Ų2637.8 Ų37.813%0.12820%0.201CC..Hα-helixtrans-64.4-38.2177.4179.3-179-76.800112.2E120 C123 N152 A153 E157 Q159E120-M155 HydrophobicContact CG-CE 3.51Å; C123-M155 VanDerWaalsContact SG-SD 3.62Å; N152-M155 HydrophobicContact CB-CB 4.1Å; N152-M155 VanDerWaalsContact CG-CB 3.46Å; N152-M155 PolarHBondContact O-N 2.91Å; N152-M155 WeakPolarHBondContact OD1-CB 3.3Å; N152-M155 PolarHBondContact OD1-N 3.3Å; A153-M155 VanDerWaalsContact C-N 3.31Å; A153-M155 PolarHBondContact O-N 3.22Å; M155-E157 VanDerWaalsContact C-N 3.34Å; M155-Q159 HydrophobicContact CG-CG 4.14Å; M155-Q159 WeakPolarHBondContact O-CB 3.4Å; M155-Q159 WeakPolarHBondContact O-CG 3.43Å; M155-Q159 PolarHBondContact O-N 3.24Å
156V87.9Confident88.3Confident0 Ų041.3 Ų41.30%021%0.214CC..Hα-helixtrans-65.9-40179.21760000111.5V145 L148 H149 N152 A153 Q154 F161 L162V145-V156 HydrophobicContact CG1-CG1 3.98Å; L148-V156 HydrophobicContact CB-CG2 4.07Å; L148-V156 HydrophobicContact CD2-CG2 3.95Å; L148-V156 HydrophobicContact CG-CG2 3.6Å; H149-V156 HydrophobicContact CB-CB 4.44Å; H149-V156 HydrophobicContact CB-CG1 4.32Å; H149-V156 HydrophobicContact CB-CG2 4.15Å; N152-V156 PolarHBondContact O-N 2.67Å; A153-V156 PolarHBondContact O-N 2.93Å; Q154-V156 VanDerWaalsContact C-N 3.33Å; Q154-V156 PolarHBondContact O-N 3.06Å; V156-F161 HydrophobicContact CG1-CB 3.71Å; V156-F161 PolarHBondContact O-N 3.43Å; V156-F161 VanDerWaalsContact O-N 3.12Å; V156-L162 HydrophobicContact CG1-CD2 3.75Å; V156-L162 HydrophobicContact CG1-CG 4.1Å
157E87.2Confident88.3Confident79 Ų7947 Ų4737%0.36924%0.244SC..Hα-helixtrans-64.4-54.3173.5-71.4-178-173.600111.5A153 Q154 M155 Q159 G160 L162A153-E157 PolarHBondContact O-N 3.2Å; Q154-E157 PolarHBondContact O-N 3.27Å; M155-E157 VanDerWaalsContact C-N 3.34Å; E157-Q159 PolarHBondContact O-N 3.44Å; E157-G160 PolarHBondContact O-N 2.92Å; E157-L162 HydrophobicContact CG-CD1 3.61Å
158D88Confident88.5Confident114 Ų11445.7 Ų45.761%0.6124%0.239SC*.Hα-helixtrans-61.7-32.4-176.4-70.6-22.1000112.7Q154 G160Q154-D158 PolarHBondContact NE2-OD1 3Å; Q154-D158 PolarHBondContact NE2-OD2 2.85Å; Q154-D158 VanDerWaalsContact NE2-OD2 3.16Å; Q154-D158 WeakPolarHBondContact O-CB 3.39Å; Q154-D158 PolarHBondContact O-N 2.98Å; D158-G160 VanDerWaalsContact C-N 3.33Å
159Q88.6Confident88.4Confident76 Ų7646 Ų4636%0.35524%0.241SC..THydrogen-bonded Turntrans-85.1-1.6-179.9-66.8-70.8-14.300114R127 M155 E157 F161R127-Q159 PolarHBondContact NH2-O 2.84Å; R127-Q159 VanDerWaalsContact NH2-O 3.15Å; M155-Q159 HydrophobicContact CG-CG 4.14Å; M155-Q159 WeakPolarHBondContact O-CB 3.4Å; M155-Q159 WeakPolarHBondContact O-CG 3.43Å; M155-Q159 PolarHBondContact O-N 3.24Å; E157-Q159 PolarHBondContact O-N 3.44Å; Q159-F161 VanDerWaalsContact C-N 3.33Å; Q159-F161 HydrophobicContact CB-CD2 3.53Å; Q159-F161 HydrophobicContact CB-CE2 3.4Å; Q159-F161 HydrophobicContact CB-CG 4.49Å; Q159-F161 HydrophobicContact CB-CZ 4.28Å; Q159-F161 HydrophobicContact CG-CD2 4.49Å; Q159-F161 HydrophobicContact CG-CE2 4.04Å; Q159-F161 PolarHBondContact O-N 2.85Å
160G89.4Confident88.4Confident23 Ų2348.5 Ų48.524%0.23726%0.262CS..THydrogen-bonded Turntrans70.324.3178.500000114.4E157 D158 L162 S164E157-G160 PolarHBondContact O-N 2.92Å; D158-G160 VanDerWaalsContact C-N 3.33Å; G160-L162 VanDerWaalsContact C-N 3.33Å; G160-S164 PolarHBondContact O-N 3.36Å; G160-S164 PolarHBondContact O-OG 3.46Å; G160-S164 VanDerWaalsContact O-OG 3.13Å
161F92.3Very high88.8Confident0 Ų046.4 Ų46.40%025%0.251CS..Hα-helixtrans-71.8-29.2179.5-75.2-60.5000112.6C123 L126 R127 L130 V145 L148 V156 Q159 D163 S164 L165C123-F161 HydrophobicContact CB-CE2 4.09Å; C123-F161 HydrophobicContact CB-CZ 4Å; C123-F161 VanDerWaalsContact O-CZ 3.31Å; C123-F161 WeakPolarHBondContact O-CZ 3.37Å; L126-F161 HydrophobicContact CB-CE1 4.24Å; L126-F161 HydrophobicContact CB-CZ 4.4Å; L126-F161 HydrophobicContact CD2-CD1 4.26Å; L126-F161 HydrophobicContact CD2-CE1 4.06Å; L126-F161 HydrophobicContact CD2-CZ 4.23Å; L126-F161 HydrophobicContact CG-CD1 4.39Å; L126-F161 HydrophobicContact CG-CE1 3.98Å; L126-F161 HydrophobicContact CG-CZ 4.45Å; R127-F161 HydrophobicContact CB-CE1 3.93Å; R127-F161 HydrophobicContact CB-CZ 4.39Å; L130-F161 HydrophobicContact CD1-CD1 3.64Å; L130-F161 HydrophobicContact CD1-CE1 4.08Å; V145-F161 HydrophobicContact CG1-CB 4.08Å; V145-F161 HydrophobicContact CG2-CB 4.5Å; L148-F161 HydrophobicContact CD2-CE2 4.43Å; V156-F161 HydrophobicContact CG1-CB 3.71Å; V156-F161 PolarHBondContact O-N 3.43Å; V156-F161 VanDerWaalsContact O-N 3.12Å; Q159-F161 VanDerWaalsContact C-N 3.33Å; Q159-F161 HydrophobicContact CB-CD2 3.53Å; Q159-F161 HydrophobicContact CB-CE2 3.4Å; Q159-F161 HydrophobicContact CB-CG 4.49Å; Q159-F161 HydrophobicContact CB-CZ 4.28Å; Q159-F161 HydrophobicContact CG-CD2 4.49Å; Q159-F161 HydrophobicContact CG-CE2 4.04Å; Q159-F161 PolarHBondContact O-N 2.85Å; F161-D163 VanDerWaalsContact C-N 3.34Å; F161-D163 PolarHBondContact O-N 2.81Å; F161-S164 PolarHBondContact O-N 3.1Å; F161-L165 WeakPolarHBondContact O-CB 3.18Å; F161-L165 PolarHBondContact O-N 2.84Å
162L89.2Confident89Confident13 Ų1349.9 Ų49.97%0.06828%0.279CS..Hα-helixtrans-62.9-41.5175.8-60.5-175000111.7V156 E157 G160 L165 R166 I187 L196V156-L162 HydrophobicContact CG1-CD2 3.75Å; V156-L162 HydrophobicContact CG1-CG 4.1Å; E157-L162 HydrophobicContact CG-CD1 3.61Å; G160-L162 VanDerWaalsContact C-N 3.33Å; L162-L165 PolarHBondContact O-N 3.43Å; L162-R166 WeakPolarHBondContact O-CG 3.27Å; L162-R166 PolarHBondContact O-N 2.94Å; L162-I187 HydrophobicContact CD2-CD1 4.1Å; L162-I187 HydrophobicContact CD2-CG2 4.45Å; L162-L196 HydrophobicContact CD1-CD1 4.36Å; L162-L196 HydrophobicContact CD1-CD2 3.76Å; L162-L196 HydrophobicContact CD2-CD1 4.28Å
163D89.8Confident89.3Confident93 Ų9349.5 Ų49.550%0.49728%0.277SS..Hα-helixtrans-66.8-43.2175.7-63.1-31.4000111.4F161 L165 R166 D167F161-D163 VanDerWaalsContact C-N 3.34Å; F161-D163 PolarHBondContact O-N 2.81Å; D163-L165 PolarHBondContact O-N 3.36Å; D163-R166 WeakPolarHBondContact O-CB 3.36Å; D163-R166 PolarHBondContact O-N 3.38Å; D163-R166 VanDerWaalsContact O-N 3.15Å; D163-R166 IonicContact OD1-CZ 2.87Å; D163-R166 IonicContact OD1-NH1 3.95Å; D163-R166 PolarHBondContact OD1-NH1 2.76Å; D163-D167 PolarHBondContact O-N 2.93Å
164S92.2Very high89.5Confident25 Ų2549.4 Ų49.418%0.17527%0.274CS..Hα-helixtrans-59.2-37.3174.6-57.70000111.9G160 F161 L168G160-S164 PolarHBondContact O-N 3.36Å; G160-S164 PolarHBondContact O-OG 3.46Å; G160-S164 VanDerWaalsContact O-OG 3.13Å; F161-S164 PolarHBondContact O-N 3.1Å; S164-L168 WeakPolarHBondContact O-CG 3.49Å; S164-L168 PolarHBondContact O-N 3.36Å
165L90.9Very high89.7Confident0 Ų047.5 Ų47.50%027%0.266CS..Hα-helixtrans-71.8-36.1177.6-172.363.5000112.1A142 V145 F161 L162 D163 L168 A180 A183 L184 I187A142-L165 HydrophobicContact CB-CD1 3.68Å; V145-L165 HydrophobicContact CB-CD2 4.28Å; V145-L165 HydrophobicContact CG1-CB 4.48Å; V145-L165 HydrophobicContact CG1-CD2 3.91Å; F161-L165 WeakPolarHBondContact O-CB 3.18Å; F161-L165 PolarHBondContact O-N 2.84Å; L162-L165 PolarHBondContact O-N 3.43Å; D163-L165 PolarHBondContact O-N 3.36Å; L165-L168 HydrophobicContact CD1-CD1 4.35Å; L165-L168 WeakPolarHBondContact O-CB 3.33Å; L165-L168 PolarHBondContact O-N 2.86Å; L165-A180 HydrophobicContact CD1-CB 4.12Å; L165-A183 HydrophobicContact CD1-CB 4.21Å; L165-A183 HydrophobicContact CD2-CB 3.89Å; L165-L184 HydrophobicContact CB-CD2 4.26Å; L165-L184 HydrophobicContact CD2-CD2 3.61Å; L165-L184 HydrophobicContact CD2-CG 3.69Å; L165-L184 HydrophobicContact CG-CD1 4.36Å; L165-L184 HydrophobicContact CG-CD2 3.83Å; L165-L184 HydrophobicContact CG-CG 3.75Å; L165-I187 HydrophobicContact CD2-CD1 3.85Å
166R88.7Confident90Very high74 Ų7446.2 Ų46.228%0.27926%0.26SS..Hα-helixtrans-64.8-40.2172.4-71.6174.8-175.4114.1-10.2112.2L162 D163 L168 I169 L184 L196L162-R166 WeakPolarHBondContact O-CG 3.27Å; L162-R166 PolarHBondContact O-N 2.94Å; D163-R166 WeakPolarHBondContact O-CB 3.36Å; D163-R166 PolarHBondContact O-N 3.38Å; D163-R166 VanDerWaalsContact O-N 3.15Å; D163-R166 IonicContact OD1-CZ 2.87Å; D163-R166 IonicContact OD1-NH1 3.95Å; D163-R166 PolarHBondContact OD1-NH1 2.76Å; R166-L168 PolarHBondContact O-N 2.9Å; R166-I169 VanDerWaalsContact O-CB 3.31Å; R166-I169 WeakPolarHBondContact O-CB 3.35Å; R166-I169 WeakPolarHBondContact O-CG1 3.47Å; R166-I169 PolarHBondContact O-N 3.05Å; R166-L184 HydrophobicContact CG-CD1 4.46Å; R166-L184 HydrophobicContact CG-CD2 4.18Å; R166-L196 PolarHBondContact NE-O 3.37Å
167D90.2Very high90.3Very high120 Ų12046.5 Ų46.564%0.64226%0.262SS*.Hα-helixtrans-59.5-31.9176.6-72.8-20.6000111.6D163 I169 A170D163-D167 PolarHBondContact O-N 2.93Å; D167-I169 PolarHBondContact O-N 3.26Å; D167-A170 WeakPolarHBondContact O-CB 3.36Å; D167-A170 PolarHBondContact O-N 2.9Å
168L91.8Very high90.5Very high11 Ų1142.8 Ų42.86%0.05824%0.244CC..G310 helixtrans-68.2-15176.4-67.2-177000114.4L130 A142 S164 L165 R166 A170 D171 V176 A180L130-L168 HydrophobicContact CD2-CD1 3.63Å; A142-L168 HydrophobicContact CB-CD1 3.93Å; S164-L168 WeakPolarHBondContact O-CG 3.49Å; S164-L168 PolarHBondContact O-N 3.36Å; L165-L168 HydrophobicContact CD1-CD1 4.35Å; L165-L168 WeakPolarHBondContact O-CB 3.33Å; L165-L168 PolarHBondContact O-N 2.86Å; R166-L168 PolarHBondContact O-N 2.9Å; L168-A170 PolarHBondContact O-N 3.21Å; L168-D171 VanDerWaalsContact O-CB 3.23Å; L168-D171 WeakPolarHBondContact O-CB 3.43Å; L168-D171 PolarHBondContact O-N 3.35Å; L168-D171 VanDerWaalsContact O-N 3.12Å; L168-V176 HydrophobicContact CB-CG1 4.14Å; L168-V176 HydrophobicContact CD1-CG1 4.16Å; L168-V176 HydrophobicContact CD2-CG1 3.91Å; L168-V176 HydrophobicContact CG-CG1 4.29Å; L168-A180 HydrophobicContact CB-CB 3.7Å
169I88.9Confident90.7Very high8 Ų839.2 Ų39.24%0.04123%0.226CC..G310 helixtrans-63.3-27168.8-57.2175.1000110.3R166 D167 L184 N203 L207R166-I169 VanDerWaalsContact O-CB 3.31Å; R166-I169 WeakPolarHBondContact O-CB 3.35Å; R166-I169 WeakPolarHBondContact O-CG1 3.47Å; R166-I169 PolarHBondContact O-N 3.05Å; D167-I169 PolarHBondContact O-N 3.26Å; I169-L184 HydrophobicContact CD1-CD1 3.55Å; I169-L184 HydrophobicContact CG1-CD1 3.82Å; I169-N203 HydrophobicContact CG2-CB 4.39Å; I169-L207 HydrophobicContact CG2-CD2 4.19Å
170A88.1Confident91Very high55 Ų5535.6 Ų35.646%0.45521%0.209SC..G310 helixtrans-93.711.5176.800000113.7D167 L168 K206D167-A170 WeakPolarHBondContact O-CB 3.36Å; D167-A170 PolarHBondContact O-N 2.9Å; L168-A170 PolarHBondContact O-N 3.21Å; A170-K206 HydrophobicContact CB-CD 4.37Å; A170-K206 VanDerWaalsContact CB-NZ 3.27Å
171D92Very high91.1Very high33 Ų3334.6 Ų34.618%0.17620%0.198CC..  trans-62.1152.1179.2-161.3-80.3000111.7R138 L168 N173 V176 V177R138-D171 IonicContact CZ-OD1 2.73Å; R138-D171 IonicContact CZ-OD2 3.07Å; R138-D171 IonicContact NE-OD1 2.77Å; R138-D171 IonicContact NE-OD2 2.68Å; R138-D171 PolarHBondContact NE-OD2 2.85Å; R138-D171 IonicContact NH2-OD1 3.1Å; R138-D171 PolarHBondContact NH2-OD1 3.15Å; R138-D171 IonicContact NH2-OD2 2.73Å; R138-D171 PolarHBondContact NH2-OD2 3.26Å; L168-D171 VanDerWaalsContact O-CB 3.23Å; L168-D171 WeakPolarHBondContact O-CB 3.43Å; L168-D171 PolarHBondContact O-N 3.35Å; L168-D171 VanDerWaalsContact O-N 3.12Å; D171-N173 VanDerWaalsContact C-N 3.27Å; D171-N173 PolarHBondContact O-N 2.92Å; D171-N173 WeakPolarHBondContact OD1-CB 3.28Å; D171-N173 PolarHBondContact OD1-N 3.37Å; D171-V176 HydrophobicContact CB-CB 4.02Å; D171-V176 HydrophobicContact CB-CG1 3.85Å; D171-V177 HydrophobicContact CB-CG2 4.11Å
172S90Very high91Very high114 Ų11435.5 Ų35.580%0.79721%0.205SC*.SBendtrans-72.2-22.3177.357.70000112.9
173N92.3Very high91.2Very high46 Ų4635 Ų3525%0.24620%0.203CC..SBendtrans-99.9121.7-178.2-169.8-73.4000112P135 D171 M175 V176 V177P135-N173 HydrophobicContact CB-CB 3.76Å; P135-N173 HydrophobicContact CG-CB 4.08Å; D171-N173 VanDerWaalsContact C-N 3.27Å; D171-N173 PolarHBondContact O-N 2.92Å; D171-N173 WeakPolarHBondContact OD1-CB 3.28Å; D171-N173 PolarHBondContact OD1-N 3.37Å; N173-M175 VanDerWaalsContact C-N 3.28Å; N173-M175 PolarHBondContact O-N 3.47Å; N173-M175 VanDerWaalsContact OD1-CB 3.26Å; N173-M175 WeakPolarHBondContact OD1-CB 3.41Å; N173-M175 PolarHBondContact OD1-N 3.21Å; N173-V176 HydrophobicContact CB-CB 4.45Å; N173-V176 HydrophobicContact CB-CG2 3.95Å; N173-V176 WeakPolarHBondContact O-CB 3.34Å; N173-V176 PolarHBondContact O-N 2.68Å; N173-V177 PolarHBondContact O-N 2.75Å
174P90.2Very high91.2Very high18 Ų1830.6 Ų30.612%0.11718%0.18CC..Hα-helixtrans-57-34.1-180-26.934000114.9V176 V177 A178 A210 E213 C214P174-V176 VanDerWaalsContact C-N 3.3Å; P174-V176 PolarHBondContact O-N 3.01Å; P174-V177 PolarHBondContact O-N 3.08Å; P174-A178 WeakPolarHBondContact O-CB 3.23Å; P174-A178 PolarHBondContact O-N 2.83Å; P174-A210 HydrophobicContact CB-CB 3.98Å; P174-E213 HydrophobicContact CB-CB 4.13Å; P174-E213 HydrophobicContact CG-CB 3.65Å; P174-E213 WeakPolarHBondContact CG-OE2 3.47Å; P174-C214 PolarHBondContact O-SG 3.45Å; P174-C214 VanDerWaalsContact O-SG 3.34Å
175M89.3Confident91Very high69 Ų6930.4 Ų30.434%0.3418%0.178SC..Hα-helixtrans-66.7-35.5179.2-59.5-174.718000111.5K139 N173 N179 T215K139-M175 HydrophobicContact CD-CB 4.28Å; N173-M175 VanDerWaalsContact C-N 3.28Å; N173-M175 PolarHBondContact O-N 3.47Å; N173-M175 VanDerWaalsContact OD1-CB 3.26Å; N173-M175 WeakPolarHBondContact OD1-CB 3.41Å; N173-M175 PolarHBondContact OD1-N 3.21Å; M175-N179 PolarHBondContact O-N 2.93Å; M175-N179 PolarHBondContact O-ND2 3.09Å; M175-T215 HydrophobicContact CE-CG2 4.11Å
176V93.9Very high90.8Very high0 Ų034.7 Ų34.70%020%0.198CC..Hα-helixtrans-67.6-46.9176.1-178.70000109.4P135 R138 K139 L168 D171 N173 P174 A178 N179 A180P135-V176 HydrophobicContact CB-CG2 3.94Å; P135-V176 VanDerWaalsContact O-CG2 3.31Å; P135-V176 WeakPolarHBondContact O-CG2 3.47Å; R138-V176 HydrophobicContact CB-CG1 4.04Å; R138-V176 HydrophobicContact CB-CG2 3.98Å; K139-V176 HydrophobicContact CB-CG2 4.12Å; L168-V176 HydrophobicContact CB-CG1 4.14Å; L168-V176 HydrophobicContact CD1-CG1 4.16Å; L168-V176 HydrophobicContact CD2-CG1 3.91Å; L168-V176 HydrophobicContact CG-CG1 4.29Å; D171-V176 HydrophobicContact CB-CB 4.02Å; D171-V176 HydrophobicContact CB-CG1 3.85Å; N173-V176 HydrophobicContact CB-CB 4.45Å; N173-V176 HydrophobicContact CB-CG2 3.95Å; N173-V176 WeakPolarHBondContact O-CB 3.34Å; N173-V176 PolarHBondContact O-N 2.68Å; P174-V176 VanDerWaalsContact C-N 3.3Å; P174-V176 PolarHBondContact O-N 3.01Å; V176-A178 PolarHBondContact O-N 2.97Å; V176-N179 PolarHBondContact O-N 3.33Å; V176-A180 WeakPolarHBondContact O-CB 3.46Å; V176-A180 PolarHBondContact O-N 3.38Å
177V92.7Very high90.7Very high5 Ų531.2 Ų31.23%0.0319%0.185CC..Hα-helixtrans-55.9-49.1176.6177.80000111.2D171 N173 P174 N179 A180 V181 L207 A210D171-V177 HydrophobicContact CB-CG2 4.11Å; N173-V177 PolarHBondContact O-N 2.75Å; P174-V177 PolarHBondContact O-N 3.08Å; V177-N179 PolarHBondContact O-N 3.1Å; V177-A180 PolarHBondContact O-N 2.91Å; V177-V181 VanDerWaalsContact O-CG2 3.3Å; V177-V181 WeakPolarHBondContact O-CG2 3.37Å; V177-V181 PolarHBondContact O-N 2.91Å; V177-L207 HydrophobicContact CG1-CD2 3.53Å; V177-A210 HydrophobicContact CB-CB 4.4Å; V177-A210 HydrophobicContact CG1-CB 4.21Å
178A92.4Very high90.3Very high1 Ų127.1 Ų27.11%0.00817%0.166CC..Hα-helixtrans-60-42.6179.400000113.3P174 V176 A182 I222P174-A178 WeakPolarHBondContact O-CB 3.23Å; P174-A178 PolarHBondContact O-N 2.83Å; V176-A178 PolarHBondContact O-N 2.97Å; A178-A182 PolarHBondContact O-N 2.84Å; A178-I222 HydrophobicContact CB-CD1 4.32Å; A178-I222 HydrophobicContact CB-CG1 4.48Å
179N93Very high89.6Confident40 Ų4032.7 Ų32.721%0.21419%0.192CC..Hα-helixtrans-73.8-33.6178.5-77.1-89.3000112.2K139 A142 V143 M175 V176 V177 A182 A183K139-N179 HydrophobicContact CB-CB 4.25Å; A142-N179 HydrophobicContact CB-CB 4.47Å; V143-N179 HydrophobicContact CG2-CB 4.13Å; V143-N179 WeakPolarHBondContact CG2-OD1 3.48Å; M175-N179 PolarHBondContact O-N 2.93Å; M175-N179 PolarHBondContact O-ND2 3.09Å; V176-N179 PolarHBondContact O-N 3.33Å; V177-N179 PolarHBondContact O-N 3.1Å; N179-A182 PolarHBondContact O-N 2.89Å; N179-A183 VanDerWaalsContact O-CB 3.31Å; N179-A183 WeakPolarHBondContact O-CB 3.44Å; N179-A183 PolarHBondContact O-N 3.32Å
180A93.6Very high88.9Confident0 Ų035.3 Ų35.30%021%0.211CC..Hα-helixtrans-63.4-43.2172.800000111.2L165 L168 V176 V177 A183 L184L165-A180 HydrophobicContact CD1-CB 4.12Å; L168-A180 HydrophobicContact CB-CB 3.7Å; V176-A180 WeakPolarHBondContact O-CB 3.46Å; V176-A180 PolarHBondContact O-N 3.38Å; V177-A180 PolarHBondContact O-N 2.91Å; A180-A183 PolarHBondContact O-N 2.82Å; A180-L184 WeakPolarHBondContact O-CB 3.47Å; A180-L184 WeakPolarHBondContact O-CD1 3.49Å; A180-L184 VanDerWaalsContact O-CG 3.23Å; A180-L184 WeakPolarHBondContact O-CG 3.39Å; A180-L184 PolarHBondContact O-N 3.37Å
181V91.6Very high88Confident1 Ų136.3 Ų36.31%0.00621%0.206CC..Hα-helixtrans-62.2-45.3174.2169.70000111.7V177 L184 S185 L207 C225V177-V181 VanDerWaalsContact O-CG2 3.3Å; V177-V181 WeakPolarHBondContact O-CG2 3.37Å; V177-V181 PolarHBondContact O-N 2.91Å; V181-L184 PolarHBondContact O-N 3.37Å; V181-S185 WeakPolarHBondContact O-CB 3.3Å; V181-S185 PolarHBondContact O-N 3.09Å; V181-S185 PolarHBondContact O-OG 3.31Å; V181-L207 HydrophobicContact CG2-CD1 4.43Å; V181-L207 HydrophobicContact CG2-CD2 3.51Å; V181-C225 HydrophobicContact CG1-CB 3.34Å
182A91.4Very high86.4Confident20 Ų2036.6 Ų36.617%0.16521%0.21CC..Hα-helixtrans-59.1-51.1177.300000111.1A178 N179 L184 S185 E186 F221A178-A182 PolarHBondContact O-N 2.84Å; N179-A182 PolarHBondContact O-N 2.89Å; A182-L184 PolarHBondContact O-N 2.89Å; A182-S185 PolarHBondContact O-N 2.85Å; A182-E186 WeakPolarHBondContact O-CB 3.41Å; A182-E186 PolarHBondContact O-N 3.17Å; A182-F221 HydrophobicContact CB-CB 4.2Å; A182-F221 HydrophobicContact CB-CD1 4.2Å; A182-F221 HydrophobicContact CB-CD2 3.72Å; A182-F221 HydrophobicContact CB-CE2 4.07Å; A182-F221 HydrophobicContact CB-CG 3.79Å; A182-F221 HydrophobicContact CB-CZ 4.47Å
183A92Very high84.9Confident3 Ų339 Ų393%0.02521%0.214CC..Hα-helixtrans-59.8-45.6178.500000112.3A142 A146 L165 N179 A180 S185 E186 I187A142-A183 WeakPolarHBondContact O-CB 3.48Å; A146-A183 HydrophobicContact CB-CB 3.88Å; L165-A183 HydrophobicContact CD1-CB 4.21Å; L165-A183 HydrophobicContact CD2-CB 3.89Å; N179-A183 VanDerWaalsContact O-CB 3.31Å; N179-A183 WeakPolarHBondContact O-CB 3.44Å; N179-A183 PolarHBondContact O-N 3.32Å; A180-A183 PolarHBondContact O-N 2.82Å; A183-S185 VanDerWaalsContact C-N 3.31Å; A183-S185 PolarHBondContact O-N 2.93Å; A183-E186 PolarHBondContact O-N 3.38Å; A183-I187 WeakPolarHBondContact O-CD1 3.43Å; A183-I187 WeakPolarHBondContact O-CG1 3.44Å; A183-I187 PolarHBondContact O-N 3.42Å
184L90.5Very high83.3Confident0 Ų038.3 Ų38.30%021%0.212CC..Hα-helixtrans-64.6-37.5177.4-72.7166.5000112.1L165 R166 I169 A180 V181 A182 S188 L196 L197L165-L184 HydrophobicContact CB-CD2 4.26Å; L165-L184 HydrophobicContact CD2-CD2 3.61Å; L165-L184 HydrophobicContact CD2-CG 3.69Å; L165-L184 HydrophobicContact CG-CD1 4.36Å; L165-L184 HydrophobicContact CG-CD2 3.83Å; L165-L184 HydrophobicContact CG-CG 3.75Å; R166-L184 HydrophobicContact CG-CD1 4.46Å; R166-L184 HydrophobicContact CG-CD2 4.18Å; I169-L184 HydrophobicContact CD1-CD1 3.55Å; I169-L184 HydrophobicContact CG1-CD1 3.82Å; A180-L184 WeakPolarHBondContact O-CB 3.47Å; A180-L184 WeakPolarHBondContact O-CD1 3.49Å; A180-L184 VanDerWaalsContact O-CG 3.23Å; A180-L184 WeakPolarHBondContact O-CG 3.39Å; A180-L184 PolarHBondContact O-N 3.37Å; V181-L184 PolarHBondContact O-N 3.37Å; A182-L184 PolarHBondContact O-N 2.89Å; L184-S188 VanDerWaalsContact O-CB 3.31Å; L184-S188 WeakPolarHBondContact O-CB 3.35Å; L184-S188 PolarHBondContact O-N 2.95Å; L184-S188 PolarHBondContact O-OG 3.24Å; L184-L196 HydrophobicContact CD2-CB 4.35Å; L184-L197 VanDerWaalsContact C-CD1 3.45Å; L184-L197 HydrophobicContact CB-CD1 3.43Å; L184-L197 VanDerWaalsContact CB-CD1 3.43Å; L184-L197 HydrophobicContact CB-CG 3.99Å; L184-L197 WeakPolarHBondContact O-CD1 3.37Å
185S87.4Confident81.9Confident20 Ų2044.3 Ų44.314%0.1424%0.243CC..Hα-helixtrans-65.8-46.7179.3-570000110.3V181 A182 A183 I187 S188 E189V181-S185 WeakPolarHBondContact O-CB 3.3Å; V181-S185 PolarHBondContact O-N 3.09Å; V181-S185 PolarHBondContact O-OG 3.31Å; A182-S185 PolarHBondContact O-N 2.85Å; A183-S185 VanDerWaalsContact C-N 3.31Å; A183-S185 PolarHBondContact O-N 2.93Å; S185-I187 PolarHBondContact O-N 3.35Å; S185-S188 WeakPolarHBondContact CA-OG 3.38Å; S185-S188 PolarHBondContact O-N 3.08Å; S185-S188 PolarHBondContact O-OG 3.2Å; S185-E189 WeakPolarHBondContact O-CG 3.37Å; S185-E189 PolarHBondContact O-N 3.4Å
186E86.7Confident80.6Confident91 Ų9141.3 Ų41.343%0.42523%0.229SC..Hα-helixtrans-59.7-44.1176.5-174173.4172.600112.4A182 A183 S188 E189 S190A182-E186 WeakPolarHBondContact O-CB 3.41Å; A182-E186 PolarHBondContact O-N 3.17Å; A183-E186 PolarHBondContact O-N 3.38Å; E186-S188 PolarHBondContact O-N 3.42Å; E186-E189 PolarHBondContact O-N 2.9Å; E186-S190 PolarHBondContact O-N 3.22Å; E186-S190 PolarHBondContact O-OG 3.04Å
187I86.5Confident79.4Confident1 Ų142.9 Ų42.91%0.00524%0.237CC..Hα-helixtrans-65.1-41.7175.6-61.9164.6000110.7V145 A146 H149 L162 L165 A183 S185 E189 S190 H191 L196V145-I187 HydrophobicContact CG1-CD1 4.43Å; A146-I187 HydrophobicContact CB-CD1 4.32Å; A146-I187 HydrophobicContact CB-CG1 4.19Å; H149-I187 HydrophobicContact CB-CD1 4.25Å; H149-I187 HydrophobicContact CB-CG1 4.13Å; L162-I187 HydrophobicContact CD2-CD1 4.1Å; L162-I187 HydrophobicContact CD2-CG2 4.45Å; L165-I187 HydrophobicContact CD2-CD1 3.85Å; A183-I187 WeakPolarHBondContact O-CD1 3.43Å; A183-I187 WeakPolarHBondContact O-CG1 3.44Å; A183-I187 PolarHBondContact O-N 3.42Å; S185-I187 PolarHBondContact O-N 3.35Å; I187-E189 VanDerWaalsContact C-N 3.29Å; I187-E189 PolarHBondContact O-N 3.05Å; I187-S190 PolarHBondContact O-N 3.37Å; I187-S190 VanDerWaalsContact O-N 3.16Å; I187-H191 PolarHBondContact O-N 3.05Å; I187-L196 HydrophobicContact CB-CD1 3.9Å; I187-L196 HydrophobicContact CG2-CD1 3.23Å
188S82.3Confident78.3Confident34 Ų3448.3 Ų48.324%0.23827%0.266CS..Hα-helixtrans-64.8-32.9179.673.20000113L184 S185 E186 S190 H191L184-S188 VanDerWaalsContact O-CB 3.31Å; L184-S188 WeakPolarHBondContact O-CB 3.35Å; L184-S188 PolarHBondContact O-N 2.95Å; L184-S188 PolarHBondContact O-OG 3.24Å; S185-S188 WeakPolarHBondContact CA-OG 3.38Å; S185-S188 PolarHBondContact O-N 3.08Å; S185-S188 PolarHBondContact O-OG 3.2Å; E186-S188 PolarHBondContact O-N 3.42Å; S188-S190 VanDerWaalsContact C-N 3.33Å; S188-H191 CarbonylContact O-C 3.56Å
189E77.3Confident77.5Confident127 Ų12749.8 Ų49.859%0.59327%0.273SS*.Hα-helixtrans-70.1-32.2175.1-72.9179.9179.500111.9S185 E186 I187S185-E189 WeakPolarHBondContact O-CG 3.37Å; S185-E189 PolarHBondContact O-N 3.4Å; E186-E189 PolarHBondContact O-N 2.9Å; I187-E189 VanDerWaalsContact C-N 3.29Å; I187-E189 PolarHBondContact O-N 3.05Å
190S73.9Confident77.1Confident63 Ų6350.2 Ų50.244%0.44128%0.275SS..Hα-helixtrans-76.2-32.3176.9-60.40000112.8E186 I187 S188E186-S190 PolarHBondContact O-N 3.22Å; E186-S190 PolarHBondContact O-OG 3.04Å; I187-S190 PolarHBondContact O-N 3.37Å; I187-S190 VanDerWaalsContact O-N 3.16Å; S188-S190 VanDerWaalsContact C-N 3.33Å
191H69.3Low76.6Confident77 Ų7751.4 Ų51.436%0.35628%0.283SS..  trans-131.784.6-179.4-68.4-97.9000111.7H149 I187 S188 N193 S194H149-H191 AromaticContact CE1-CD2 3.31Å; H149-H191 PolarHBondContact CE1-CD2 3.23Å; H149-H191 AromaticContact CE1-NE2 3.48Å; H149-H191 PolarHBondContact CE1-NE2 3Å; I187-H191 PolarHBondContact O-N 3.05Å; S188-H191 CarbonylContact O-C 3.56Å; H191-N193 PolarHBondContact O-N 3.35Å; H191-N193 VanDerWaalsContact O-N 3.14Å; H191-S194 WeakPolarHBondContact O-CB 3.21Å; H191-S194 PolarHBondContact O-N 2.87Å
192P58.3Low76.2Confident39 Ų3958.2 Ų58.225%0.25332%0.315SS..THydrogen-bonded Turntrans-63.3-26.3-172.2-19.929.3000114.6S194 H589P192-S194 PolarHBondContact O-N 2.78Å; P192-H589 WeakPolarHBondContact CB-NE2 3.46Å
193N58.1Low76Confident165 Ų16558.6 Ų58.688%0.88231%0.314SS*.THydrogen-bonded Turntrans-70.8-18.1177.8-68.2-23000112.5H191 N195H191-N193 PolarHBondContact O-N 3.35Å; H191-N193 VanDerWaalsContact O-N 3.14Å; N193-N195 PolarHBondContact O-N 2.99Å
194S58.7Low75.9Confident30 Ų3058.5 Ų58.521%0.2131%0.313CS..  trans-88.793.4177.6-58.70000107.7H191 P192 L196H191-S194 WeakPolarHBondContact O-CB 3.21Å; H191-S194 PolarHBondContact O-N 2.87Å; P192-S194 PolarHBondContact O-N 2.78Å; S194-L196 WeakPolarHBondContact O-CG 3.49Å; S194-L196 PolarHBondContact O-N 3.27Å
195N60.6Low75.8Confident145 Ų14562.7 Ų62.778%0.77534%0.336SS*.  trans-66.768.6168.5-79.6-28.8000109.7N193N193-N195 PolarHBondContact O-N 2.99Å
196L62.7Low75.8Confident6 Ų666 Ų663%0.03135%0.348CS..  trans-74.2-40.4-171.4-62.9-177.4000111.9L162 R166 L184 I187 S194 D198L162-L196 HydrophobicContact CD1-CD1 4.36Å; L162-L196 HydrophobicContact CD1-CD2 3.76Å; L162-L196 HydrophobicContact CD2-CD1 4.28Å; R166-L196 PolarHBondContact NE-O 3.37Å; L184-L196 HydrophobicContact CD2-CB 4.35Å; I187-L196 HydrophobicContact CB-CD1 3.9Å; I187-L196 HydrophobicContact CG2-CD1 3.23Å; S194-L196 WeakPolarHBondContact O-CG 3.49Å; S194-L196 PolarHBondContact O-N 3.27Å; L196-D198 PolarHBondContact O-N 2.89Å
197L68.2Low76.1Confident33 Ų3361.8 Ų61.817%0.17333%0.328CS..  trans-84.688.3170.4-74.286.3000109.4L184 L199 C225L184-L197 VanDerWaalsContact C-CD1 3.45Å; L184-L197 HydrophobicContact CB-CD1 3.43Å; L184-L197 VanDerWaalsContact CB-CD1 3.43Å; L184-L197 HydrophobicContact CB-CG 3.99Å; L184-L197 WeakPolarHBondContact O-CD1 3.37Å; L197-L199 HydrophobicContact CB-CD2 4.21Å; L197-L199 HydrophobicContact CB-CG 4.05Å; L197-L199 HydrophobicContact CD2-CD2 4Å; L197-L199 HydrophobicContact CD2-CG 4.42Å; L197-L199 PolarHBondContact O-N 3.07Å; L197-C225 WeakPolarHBondContact CD2-SG 3.4Å
198D70.1Confident76.4Confident119 Ų11962 Ų6264%0.63633%0.329SS*.  trans-73.383.6161.5-168.36.6000108.8L196 N200 N203L196-D198 PolarHBondContact O-N 2.89Å; D198-N200 VanDerWaalsContact C-N 3.34Å; D198-N200 PolarHBondContact O-N 3.31Å; D198-N203 PolarHBondContact O-ND2 3.46Å; D198-N203 VanDerWaalsContact O-ND2 3.09Å
199L76.4Confident76.8Confident32 Ų3264 Ų6417%0.16834%0.34CS..  trans-71.589.6178.3-67.1-180000109.4L197 I204 Y229L197-L199 HydrophobicContact CB-CD2 4.21Å; L197-L199 HydrophobicContact CB-CG 4.05Å; L197-L199 HydrophobicContact CD2-CD2 4Å; L197-L199 HydrophobicContact CD2-CG 4.42Å; L197-L199 PolarHBondContact O-N 3.07Å; L199-I204 HydrophobicContact CB-CD1 4.43Å; L199-I204 HydrophobicContact CD2-CD1 4.31Å; L199-Y229 HydrophobicContact CB-CD2 3.69Å; L199-Y229 HydrophobicContact CB-CE2 4.28Å; L199-Y229 HydrophobicContact CD1-CD2 4.4Å; L199-Y229 WeakPolarHBondContact O-CE2 3.38Å
200N82.7Confident77.4Confident48 Ų4858.3 Ų58.326%0.25731%0.314SS..  trans-95162.2169.96749.6000111.2D198 Q202 N203 I204D198-N200 VanDerWaalsContact C-N 3.34Å; D198-N200 PolarHBondContact O-N 3.31Å; N200-Q202 PolarHBondContact O-N 3.48Å; N200-Q202 VanDerWaalsContact O-N 3.12Å; N200-Q202 WeakPolarHBondContact OD1-CB 3.47Å; N200-Q202 PolarHBondContact OD1-N 3.29Å; N200-Q202 VanDerWaalsContact OD1-N 3.08Å; N200-N203 PolarHBondContact ND2-ND2 3.11Å; N200-N203 WeakPolarHBondContact O-CB 3.47Å; N200-N203 PolarHBondContact O-N 2.93Å; N200-N203 VanDerWaalsContact O-N 3.08Å; N200-N203 PolarHBondContact OD1-N 3.44Å; N200-I204 WeakPolarHBondContact O-CG1 3.44Å; N200-I204 PolarHBondContact O-N 3.34Å
201P83Confident78.3Confident26 Ų2655.3 Ų55.317%0.16929%0.293CS..Hα-helixtrans-57.2-28.8-179.8-28.635.1000115.1I204 N205 K232 E236P201-I204 PolarHBondContact O-N 3.31Å; P201-N205 PolarHBondContact O-N 2.98Å; P201-N205 PolarHBondContact O-ND2 3.08Å; P201-K232 HydrophobicContact CG-CD 4.02Å; P201-E236 WeakPolarHBondContact CB-OE1 3.37Å; P201-E236 WeakPolarHBondContact CG-OE1 3.46Å
202Q85Confident79.1Confident143 Ų14355.4 Ų55.467%0.66830%0.297SS*.Hα-helixtrans-68.7-43.4178.4-63.5179-15.100110.4N200 N205 K206N200-Q202 PolarHBondContact O-N 3.48Å; N200-Q202 VanDerWaalsContact O-N 3.12Å; N200-Q202 WeakPolarHBondContact OD1-CB 3.47Å; N200-Q202 PolarHBondContact OD1-N 3.29Å; N200-Q202 VanDerWaalsContact OD1-N 3.08Å; Q202-N205 PolarHBondContact O-N 3.27Å; Q202-K206 WeakPolarHBondContact O-CG 3.47Å; Q202-K206 PolarHBondContact O-N 2.87Å
203N86.6Confident80.6Confident28 Ų2860.2 Ų60.215%0.1532%0.316CS..Hα-helixtrans-62.4-45.2174.3-68.6-13.7000110.4I169 D198 N200 N205 K206 L207I169-N203 HydrophobicContact CG2-CB 4.39Å; D198-N203 PolarHBondContact O-ND2 3.46Å; D198-N203 VanDerWaalsContact O-ND2 3.09Å; N200-N203 PolarHBondContact ND2-ND2 3.11Å; N200-N203 WeakPolarHBondContact O-CB 3.47Å; N200-N203 PolarHBondContact O-N 2.93Å; N200-N203 VanDerWaalsContact O-N 3.08Å; N200-N203 PolarHBondContact OD1-N 3.44Å; N203-N205 PolarHBondContact O-N 2.84Å; N203-K206 WeakPolarHBondContact O-CB 3.38Å; N203-K206 PolarHBondContact O-N 3.28Å; N203-K206 VanDerWaalsContact O-N 3.12Å; N203-L207 WeakPolarHBondContact O-CG 3.27Å; N203-L207 PolarHBondContact O-N 2.85Å
204I90Very high82Confident2 Ų252.8 Ų52.81%0.0128%0.277CS..Hα-helixtrans-58.5-45.2177.4-62.3-65.6000112.1L199 N200 P201 K206 L207 L208 L226 Y229 I240L199-I204 HydrophobicContact CB-CD1 4.43Å; L199-I204 HydrophobicContact CD2-CD1 4.31Å; N200-I204 WeakPolarHBondContact O-CG1 3.44Å; N200-I204 PolarHBondContact O-N 3.34Å; P201-I204 PolarHBondContact O-N 3.31Å; I204-K206 VanDerWaalsContact C-N 3.3Å; I204-K206 PolarHBondContact O-N 3.39Å; I204-L207 PolarHBondContact O-N 3.05Å; I204-L208 HydrophobicContact CG2-CD1 4Å; I204-L208 HydrophobicContact CG2-CG 4.37Å; I204-L208 WeakPolarHBondContact O-CB 3.4Å; I204-L208 VanDerWaalsContact O-CG 3.31Å; I204-L208 WeakPolarHBondContact O-CG 3.16Å; I204-L208 PolarHBondContact O-N 3.45Å; I204-L226 HydrophobicContact CD1-CD2 3.7Å; I204-L226 HydrophobicContact CG2-CD2 3.94Å; I204-Y229 HydrophobicContact CD1-CD1 3.76Å; I204-Y229 HydrophobicContact CD1-CD2 3.86Å; I204-Y229 HydrophobicContact CD1-CE1 4.3Å; I204-Y229 HydrophobicContact CD1-CE2 4.42Å; I204-Y229 HydrophobicContact CD1-CG 3.51Å; I204-Y229 HydrophobicContact CG1-CD1 3.81Å; I204-Y229 HydrophobicContact CG1-CD2 3.99Å; I204-Y229 HydrophobicContact CG1-CE1 3.82Å; I204-Y229 HydrophobicContact CG1-CE2 4.03Å; I204-Y229 HydrophobicContact CG1-CG 3.89Å; I204-Y229 HydrophobicContact CG2-CD1 4.47Å; I204-Y229 HydrophobicContact CG2-CE1 4.47Å; I204-I240 HydrophobicContact CG2-CD1 3.92Å; I204-I240 HydrophobicContact CG2-CG1 4.16Å
205N89Confident83.6Confident88 Ų8853.6 Ų53.647%0.47128%0.281SS..Hα-helixtrans-62.8-35.4177.3-81.8-68.2000113P201 Q202 N203 T209P201-N205 PolarHBondContact O-N 2.98Å; P201-N205 PolarHBondContact O-ND2 3.08Å; Q202-N205 PolarHBondContact O-N 3.27Å; N203-N205 PolarHBondContact O-N 2.84Å; N205-T209 PolarHBondContact O-N 3.14Å; N205-T209 VanDerWaalsContact O-N 3.15Å; N205-T209 PolarHBondContact O-OG1 2.93Å
206K87.4Confident85.2Confident90 Ų9050.4 Ų50.439%0.39126%0.261SS..Hα-helixtrans-67.2-46.3173.4-68.4173.8-177.4176.10111.2A170 Q202 N203 I204 L208 T209 A210A170-K206 HydrophobicContact CB-CD 4.37Å; A170-K206 VanDerWaalsContact CB-NZ 3.27Å; Q202-K206 WeakPolarHBondContact O-CG 3.47Å; Q202-K206 PolarHBondContact O-N 2.87Å; N203-K206 WeakPolarHBondContact O-CB 3.38Å; N203-K206 PolarHBondContact O-N 3.28Å; N203-K206 VanDerWaalsContact O-N 3.12Å; I204-K206 VanDerWaalsContact C-N 3.3Å; I204-K206 PolarHBondContact O-N 3.39Å; K206-L208 VanDerWaalsContact C-N 3.33Å; K206-L208 PolarHBondContact O-N 2.89Å; K206-T209 WeakPolarHBondContact O-CA 3.18Å; K206-T209 WeakPolarHBondContact O-CB 3.35Å; K206-T209 PolarHBondContact O-N 3.38Å; K206-A210 PolarHBondContact O-N 3.12Å
207L92Very high86.6Confident2 Ų257.6 Ų57.61%0.0129%0.288CS..Hα-helixtrans-58.2-43.7176.2-66.8-173.8000112I169 V177 V181 N203 I204 T209 A210 L211 I222 L226I169-L207 HydrophobicContact CG2-CD2 4.19Å; V177-L207 HydrophobicContact CG1-CD2 3.53Å; V181-L207 HydrophobicContact CG2-CD1 4.43Å; V181-L207 HydrophobicContact CG2-CD2 3.51Å; N203-L207 WeakPolarHBondContact O-CG 3.27Å; N203-L207 PolarHBondContact O-N 2.85Å; I204-L207 PolarHBondContact O-N 3.05Å; L207-T209 PolarHBondContact O-N 2.95Å; L207-A210 PolarHBondContact O-N 2.94Å; L207-L211 WeakPolarHBondContact O-CB 3.5Å; L207-L211 PolarHBondContact O-N 2.69Å; L207-I222 HydrophobicContact CB-CG2 4.01Å; L207-L226 HydrophobicContact CB-CD2 4.43Å; L207-L226 HydrophobicContact CD1-CD2 4.47Å
208L92.4Very high87.7Confident4 Ų456.1 Ų56.12%0.02128%0.281CS..Hα-helixtrans-67-21.4175.7-70.3173.3000113.9I204 K206 L211 L226 I240 R243 V244I204-L208 HydrophobicContact CG2-CD1 4Å; I204-L208 HydrophobicContact CG2-CG 4.37Å; I204-L208 WeakPolarHBondContact O-CB 3.4Å; I204-L208 VanDerWaalsContact O-CG 3.31Å; I204-L208 WeakPolarHBondContact O-CG 3.16Å; I204-L208 PolarHBondContact O-N 3.45Å; K206-L208 VanDerWaalsContact C-N 3.33Å; K206-L208 PolarHBondContact O-N 2.89Å; L208-L211 HydrophobicContact CD2-CD2 4.36Å; L208-L226 HydrophobicContact CD2-CD1 3.66Å; L208-L226 HydrophobicContact CD2-CD2 4.45Å; L208-L226 HydrophobicContact CG-CD1 4.49Å; L208-I240 HydrophobicContact CD1-CG1 4.08Å; L208-I240 HydrophobicContact CD1-CG2 4.47Å; L208-I240 HydrophobicContact CD2-CG2 4.34Å; L208-R243 HydrophobicContact CD1-CB 4.24Å; L208-R243 HydrophobicContact CD1-CG 4.41Å; L208-R243 HydrophobicContact CD2-CB 3.96Å; L208-R243 PolarHBondContact O-NH2 3.31Å; L208-V244 HydrophobicContact CD2-CG2 4.12Å
209T90.5Very high88.9Confident77 Ų7750.9 Ų50.947%0.47225%0.252SS..Hα-helixtrans-81.2-47.2173.3-56.90000109.7N205 K206 L207 L211 N212N205-T209 PolarHBondContact O-N 3.14Å; N205-T209 VanDerWaalsContact O-N 3.15Å; N205-T209 PolarHBondContact O-OG1 2.93Å; K206-T209 WeakPolarHBondContact O-CA 3.18Å; K206-T209 WeakPolarHBondContact O-CB 3.35Å; K206-T209 PolarHBondContact O-N 3.38Å; L207-T209 PolarHBondContact O-N 2.95Å; T209-L211 VanDerWaalsContact C-N 3.26Å; T209-L211 PolarHBondContact O-N 3.18Å; T209-N212 PolarHBondContact O-N 2.84Å
210A90.8Very high89.8Confident7 Ų750.2 Ų50.26%0.05825%0.249CC..Hα-helixtrans-59.8-34.7174.800000112.7P174 V177 K206 L207 N212 E213 C214 I222P174-A210 HydrophobicContact CB-CB 3.98Å; V177-A210 HydrophobicContact CB-CB 4.4Å; V177-A210 HydrophobicContact CG1-CB 4.21Å; K206-A210 PolarHBondContact O-N 3.12Å; L207-A210 PolarHBondContact O-N 2.94Å; A210-N212 PolarHBondContact O-N 3.13Å; A210-E213 PolarHBondContact O-N 3.16Å; A210-C214 PolarHBondContact O-N 3.38Å; A210-C214 PolarHBondContact O-SG 3.18Å; A210-I222 HydrophobicContact CB-CD1 3.94Å
211L92.5Very high90.3Very high0 Ų051.1 Ų51.10%025%0.251CS..THydrogen-bonded Turntrans-52.8-29.9178.2-175.365.3000113.4L207 L208 T209 Q219 I222 L223 V244 R247L207-L211 WeakPolarHBondContact O-CB 3.5Å; L207-L211 PolarHBondContact O-N 2.69Å; L208-L211 HydrophobicContact CD2-CD2 4.36Å; T209-L211 VanDerWaalsContact C-N 3.26Å; T209-L211 PolarHBondContact O-N 3.18Å; L211-Q219 HydrophobicContact CD1-CB 3.89Å; L211-Q219 HydrophobicContact CD1-CG 3.96Å; L211-Q219 WeakPolarHBondContact O-CG 3.21Å; L211-I222 HydrophobicContact CB-CG2 4.24Å; L211-I222 HydrophobicContact CD1-CB 4.22Å; L211-I222 HydrophobicContact CD1-CG2 4.01Å; L211-L223 HydrophobicContact CD1-CD1 4.4Å; L211-L223 HydrophobicContact CD1-CD2 4.19Å; L211-L223 HydrophobicContact CD1-CG 3.9Å; L211-L223 HydrophobicContact CD2-CD2 4.08Å; L211-V244 HydrophobicContact CD2-CG2 4.46Å; L211-R247 HydrophobicContact CD2-CG 4.08Å; L211-R247 HydrophobicContact CG-CG 4.34Å
212N87.4Confident90.9Very high79 Ų7949.9 Ų49.942%0.42224%0.242SC..THydrogen-bonded Turntrans-77.9-21.2-179.7-70-37.2000113.9T209 A210T209-N212 PolarHBondContact O-N 2.84Å; A210-N212 PolarHBondContact O-N 3.13Å
213E88.3Confident91.4Very high140 Ų14043.1 Ų43.165%0.65421%0.211SC*.THydrogen-bonded Turntrans-118.2-2.7-170.4-66178.8-165.800112.6P174 A210P174-E213 HydrophobicContact CB-CB 4.13Å; P174-E213 HydrophobicContact CG-CB 3.65Å; P174-E213 WeakPolarHBondContact CG-OE2 3.47Å; A210-E213 PolarHBondContact O-N 3.16Å
214C88.5Confident91.7Very high10 Ų1044.1 Ų44.17%0.06822%0.216CC..SBendtrans-77.6152.4178.3-80.80000113.4P174 A210 Q219 I222P174-C214 PolarHBondContact O-SG 3.45Å; P174-C214 VanDerWaalsContact O-SG 3.34Å; A210-C214 PolarHBondContact O-N 3.38Å; A210-C214 PolarHBondContact O-SG 3.18Å; C214-Q219 HydrophobicContact CB-CG 3.94Å; C214-Q219 PolarHBondContact O-NE2 2.91Å; C214-I222 HydrophobicContact CB-CD1 4.46Å; C214-I222 VanDerWaalsContact SG-CD1 3.59Å
215T91.8Very high91.7Very high47 Ų4744.1 Ų44.129%0.28822%0.216SC..  trans-59.8165.7163.763.80000110.8M175 W217 G218 Q219M175-T215 HydrophobicContact CE-CG2 4.11Å; T215-W217 VanDerWaalsContact C-N 3.31Å; T215-W217 PolarHBondContact O-N 2.79Å; T215-G218 CarbonylContact O-C 3.56Å; T215-G218 WeakPolarHBondContact O-CA 3.47Å; T215-G218 PolarHBondContact O-N 3.26Å; T215-G218 PolarHBondContact OG1-N 2.56Å; T215-Q219 WeakPolarHBondContact O-CG 3.47Å; T215-Q219 PolarHBondContact O-N 3.1Å
216E94Very high91.8Very high78 Ų7839.9 Ų39.936%0.36419%0.194SC..Hα-helixtrans-56.8-44.9-178.5-49.9-171.3136.500112G218 Q219 I220 H250 N252 V255E216-G218 PolarHBondContact O-N 2.88Å; E216-Q219 PolarHBondContact O-N 2.88Å; E216-I220 WeakPolarHBondContact O-CG1 3.4Å; E216-I220 PolarHBondContact O-N 2.85Å; E216-H250 IonicContact OE1-CE1 3.4Å; E216-H250 PolarHBondContact OE1-CE1 2.8Å; E216-H250 VanDerWaalsContact OE1-CE1 3.3Å; E216-N252 WeakPolarHBondContact OE1-CB 3.34Å; E216-N252 PolarHBondContact OE2-ND2 3.15Å; E216-V255 HydrophobicContact CB-CG2 4.13Å
217W91.2Very high92Very high157 Ų15736 Ų3660%0.59518%0.178SC*.Hα-helixtrans-59.7-44.5173.4-66.9105.4000112.4T215 Q219 I220 F221T215-W217 VanDerWaalsContact C-N 3.31Å; T215-W217 PolarHBondContact O-N 2.79Å; W217-Q219 VanDerWaalsContact C-N 3.31Å; W217-Q219 PolarHBondContact O-N 3.39Å; W217-I220 HydrophobicContact CE3-CD1 4.48Å; W217-I220 WeakPolarHBondContact O-CB 3.45Å; W217-I220 PolarHBondContact O-N 3.42Å; W217-F221 HydrophobicContact CB-CE2 4.27Å; W217-F221 HydrophobicContact CB-CZ 4.48Å; W217-F221 VanDerWaalsContact O-CD2 3.29Å; W217-F221 WeakPolarHBondContact O-CD2 3.17Å; W217-F221 VanDerWaalsContact O-CG 3.32Å; W217-F221 WeakPolarHBondContact O-CG 3.14Å; W217-F221 PolarHBondContact O-N 2.63Å
218G91.9Very high91.8Very high2 Ų239 Ų392%0.02119%0.194CC..Hα-helixtrans-64.5-36177.700000113T215 E216 F221 I222T215-G218 CarbonylContact O-C 3.56Å; T215-G218 WeakPolarHBondContact O-CA 3.47Å; T215-G218 PolarHBondContact O-N 3.26Å; T215-G218 PolarHBondContact OG1-N 2.56Å; E216-G218 PolarHBondContact O-N 2.88Å; G218-F221 PolarHBondContact O-N 3.14Å; G218-I222 VanDerWaalsContact O-CG1 3.29Å; G218-I222 WeakPolarHBondContact O-CG1 3.38Å; G218-I222 PolarHBondContact O-N 3Å; G218-I222 VanDerWaalsContact O-N 3.07Å
219Q95.3Very high91.7Very high9 Ų939.5 Ų39.54%0.04220%0.195CC..Hα-helixtrans-64.1-41.3173.6-68.8-18057.100111.2L211 C214 T215 E216 W217 I222 L223 V255L211-Q219 HydrophobicContact CD1-CB 3.89Å; L211-Q219 HydrophobicContact CD1-CG 3.96Å; L211-Q219 WeakPolarHBondContact O-CG 3.21Å; C214-Q219 HydrophobicContact CB-CG 3.94Å; C214-Q219 PolarHBondContact O-NE2 2.91Å; T215-Q219 WeakPolarHBondContact O-CG 3.47Å; T215-Q219 PolarHBondContact O-N 3.1Å; E216-Q219 PolarHBondContact O-N 2.88Å; W217-Q219 VanDerWaalsContact C-N 3.31Å; W217-Q219 PolarHBondContact O-N 3.39Å; Q219-I222 PolarHBondContact O-N 3.13Å; Q219-L223 WeakPolarHBondContact O-CB 3.4Å; Q219-L223 WeakPolarHBondContact O-CD1 3.4Å; Q219-L223 WeakPolarHBondContact O-CG 3.34Å; Q219-L223 PolarHBondContact O-N 2.96Å; Q219-V255 HydrophobicContact CB-CG1 4.3Å; Q219-V255 HydrophobicContact CB-CG2 4.43Å
220I95.5Very high91.6Very high18 Ų1840.7 Ų40.79%0.09220%0.199CC..Hα-helixtrans-61-50.6176.6-66.2162.4000110.5E216 W217 I222 L223 D224 A254 V255E216-I220 WeakPolarHBondContact O-CG1 3.4Å; E216-I220 PolarHBondContact O-N 2.85Å; W217-I220 HydrophobicContact CE3-CD1 4.48Å; W217-I220 WeakPolarHBondContact O-CB 3.45Å; W217-I220 PolarHBondContact O-N 3.42Å; I220-I222 VanDerWaalsContact C-N 3.3Å; I220-I222 PolarHBondContact O-N 3.3Å; I220-L223 PolarHBondContact O-N 3.01Å; I220-D224 WeakPolarHBondContact O-CB 3.33Å; I220-D224 VanDerWaalsContact O-CG 3.23Å; I220-D224 PolarHBondContact O-N 3.49Å; I220-A254 HydrophobicContact CD1-CB 3.66Å; I220-A254 HydrophobicContact CG1-CB 4.43Å; I220-V255 HydrophobicContact CD1-CG2 4.3Å; I220-V255 HydrophobicContact CG1-CG2 3.97Å
221F93.7Very high91.5Very high67 Ų6741.2 Ų41.229%0.29420%0.202SC..Hα-helixtrans-58.8-41.4179.2-58.1-34.4000112.5A182 W217 G218 C225A182-F221 HydrophobicContact CB-CB 4.2Å; A182-F221 HydrophobicContact CB-CD1 4.2Å; A182-F221 HydrophobicContact CB-CD2 3.72Å; A182-F221 HydrophobicContact CB-CE2 4.07Å; A182-F221 HydrophobicContact CB-CG 3.79Å; A182-F221 HydrophobicContact CB-CZ 4.47Å; W217-F221 HydrophobicContact CB-CE2 4.27Å; W217-F221 HydrophobicContact CB-CZ 4.48Å; W217-F221 VanDerWaalsContact O-CD2 3.29Å; W217-F221 WeakPolarHBondContact O-CD2 3.17Å; W217-F221 VanDerWaalsContact O-CG 3.32Å; W217-F221 WeakPolarHBondContact O-CG 3.14Å; W217-F221 PolarHBondContact O-N 2.63Å; G218-F221 PolarHBondContact O-N 3.14Å; F221-C225 WeakPolarHBondContact O-CB 3.37Å; F221-C225 PolarHBondContact O-N 2.9Å
222I94.6Very high91.2Very high0 Ų048.6 Ų48.60%023%0.234CC..Hα-helixtrans-66.2-47.8176.7-69.7170.2000110.9A178 L207 A210 L211 C214 G218 Q219 I220 D224 C225 L226A178-I222 HydrophobicContact CB-CD1 4.32Å; A178-I222 HydrophobicContact CB-CG1 4.48Å; L207-I222 HydrophobicContact CB-CG2 4.01Å; A210-I222 HydrophobicContact CB-CD1 3.94Å; L211-I222 HydrophobicContact CB-CG2 4.24Å; L211-I222 HydrophobicContact CD1-CB 4.22Å; L211-I222 HydrophobicContact CD1-CG2 4.01Å; C214-I222 HydrophobicContact CB-CD1 4.46Å; C214-I222 VanDerWaalsContact SG-CD1 3.59Å; G218-I222 VanDerWaalsContact O-CG1 3.29Å; G218-I222 WeakPolarHBondContact O-CG1 3.38Å; G218-I222 PolarHBondContact O-N 3Å; G218-I222 VanDerWaalsContact O-N 3.07Å; Q219-I222 PolarHBondContact O-N 3.13Å; I220-I222 VanDerWaalsContact C-N 3.3Å; I220-I222 PolarHBondContact O-N 3.3Å; I222-D224 VanDerWaalsContact C-N 3.31Å; I222-D224 PolarHBondContact O-N 3.16Å; I222-C225 WeakPolarHBondContact O-CB 3.33Å; I222-C225 PolarHBondContact O-N 3.36Å; I222-L226 HydrophobicContact CG2-CD1 3.93Å; I222-L226 HydrophobicContact CG2-CG 4.21Å; I222-L226 WeakPolarHBondContact O-CB 3.15Å; I222-L226 VanDerWaalsContact O-CG 3.26Å; I222-L226 WeakPolarHBondContact O-CG 3.42Å; I222-L226 PolarHBondContact O-N 3.09Å
223L96.3Very high91.2Very high0 Ų048.6 Ų48.60%023%0.234CC..Hα-helixtrans-62.5-39.6179.9-71.9167000111.8L211 Q219 I220 L226 S227 V244 V255 A259 V262L211-L223 HydrophobicContact CD1-CD1 4.4Å; L211-L223 HydrophobicContact CD1-CD2 4.19Å; L211-L223 HydrophobicContact CD1-CG 3.9Å; L211-L223 HydrophobicContact CD2-CD2 4.08Å; Q219-L223 WeakPolarHBondContact O-CB 3.4Å; Q219-L223 WeakPolarHBondContact O-CD1 3.4Å; Q219-L223 WeakPolarHBondContact O-CG 3.34Å; Q219-L223 PolarHBondContact O-N 2.96Å; I220-L223 PolarHBondContact O-N 3.01Å; L223-L226 HydrophobicContact CD2-CD1 4.43Å; L223-L226 PolarHBondContact O-N 3.3Å; L223-S227 PolarHBondContact O-N 3.17Å; L223-V244 HydrophobicContact CD2-CG1 3.79Å; L223-V244 HydrophobicContact CD2-CG2 4.12Å; L223-V255 HydrophobicContact CD1-CG1 4.16Å; L223-A259 HydrophobicContact CD1-CB 4.21Å; L223-V262 HydrophobicContact CB-CG2 4.3Å; L223-V262 HydrophobicContact CD2-CG2 4.28Å; L223-V262 WeakPolarHBondContact O-CG2 3.28Å
224D91.8Very high91.3Very high50 Ų5045.1 Ų45.127%0.26722%0.22SC..Hα-helixtrans-65.2-41.7177.3-72.1-1.9000111.1I220 I222 S227 S258 K261I220-D224 WeakPolarHBondContact O-CB 3.33Å; I220-D224 VanDerWaalsContact O-CG 3.23Å; I220-D224 PolarHBondContact O-N 3.49Å; I222-D224 VanDerWaalsContact C-N 3.31Å; I222-D224 PolarHBondContact O-N 3.16Å; D224-S227 WeakPolarHBondContact O-CB 3.29Å; D224-S227 PolarHBondContact O-N 2.79Å; D224-S227 PolarHBondContact O-OG 3.09Å; D224-S258 PolarHBondContact OD1-OG 3.2Å; D224-K261 VanDerWaalsContact CG-NZ 3.27Å; D224-K261 VanDerWaalsContact OD1-CE 3.32Å; D224-K261 WeakPolarHBondContact OD1-CE 3.19Å; D224-K261 IonicContact OD1-NZ 3.25Å; D224-K261 PolarHBondContact OD1-NZ 3.44Å; D224-K261 IonicContact OD2-NZ 3.75Å
225C90.7Very high91.4Very high1 Ų154.5 Ų54.51%0.00725%0.254CS..Hα-helixtrans-63-45.7171.9176.70000112.5V181 L197 F221 I222 S227 N228V181-C225 HydrophobicContact CG1-CB 3.34Å; L197-C225 WeakPolarHBondContact CD2-SG 3.4Å; F221-C225 WeakPolarHBondContact O-CB 3.37Å; F221-C225 PolarHBondContact O-N 2.9Å; I222-C225 WeakPolarHBondContact O-CB 3.33Å; I222-C225 PolarHBondContact O-N 3.36Å; C225-S227 PolarHBondContact O-N 3.25Å; C225-N228 WeakPolarHBondContact O-CB 3.27Å; C225-N228 PolarHBondContact O-N 3.46Å
226L92.2Very high91.4Very high0 Ų053.9 Ų53.90%025%0.248CC..Hα-helixtrans-58.6-34175.2-71174.3000111.8I204 L207 L208 I222 L223 N228 Y229 V244 V262I204-L226 HydrophobicContact CD1-CD2 3.7Å; I204-L226 HydrophobicContact CG2-CD2 3.94Å; L207-L226 HydrophobicContact CB-CD2 4.43Å; L207-L226 HydrophobicContact CD1-CD2 4.47Å; L208-L226 HydrophobicContact CD2-CD1 3.66Å; L208-L226 HydrophobicContact CD2-CD2 4.45Å; L208-L226 HydrophobicContact CG-CD1 4.49Å; I222-L226 HydrophobicContact CG2-CD1 3.93Å; I222-L226 HydrophobicContact CG2-CG 4.21Å; I222-L226 WeakPolarHBondContact O-CB 3.15Å; I222-L226 VanDerWaalsContact O-CG 3.26Å; I222-L226 WeakPolarHBondContact O-CG 3.42Å; I222-L226 PolarHBondContact O-N 3.09Å; L223-L226 HydrophobicContact CD2-CD1 4.43Å; L223-L226 PolarHBondContact O-N 3.3Å; L226-N228 PolarHBondContact O-N 3.04Å; L226-Y229 WeakPolarHBondContact O-CB 3.37Å; L226-Y229 PolarHBondContact O-N 3.29Å; L226-Y229 VanDerWaalsContact O-N 3.1Å; L226-V244 HydrophobicContact CD1-CG2 4.26Å; L226-V262 HydrophobicContact CB-CG2 4.32Å
227S91.1Very high91.3Very high8 Ų850.1 Ų50.16%0.05623%0.23CC..Hα-helixtrans-65.7-20.5176.981.80000113.1L223 D224 C225 K265L223-S227 PolarHBondContact O-N 3.17Å; D224-S227 WeakPolarHBondContact O-CB 3.29Å; D224-S227 PolarHBondContact O-N 2.79Å; D224-S227 PolarHBondContact O-OG 3.09Å; C225-S227 PolarHBondContact O-N 3.25Å; S227-K265 WeakPolarHBondContact O-CD 3.37Å; S227-K265 WeakPolarHBondContact O-CE 3.29Å; S227-K265 PolarHBondContact O-NZ 3.27Å
228N87.3Confident91.4Very high66 Ų6645.6 Ų45.635%0.35322%0.216SC..Hα-helixtrans-87.7-14.7175-63.6-38000112.9C225 L226 K591C225-N228 WeakPolarHBondContact O-CB 3.27Å; C225-N228 PolarHBondContact O-N 3.46Å; L226-N228 PolarHBondContact O-N 3.04Å; N228-K591 PolarHBondContact OD1-NZ 3.4Å
229Y89.9Confident91.5Very high13 Ų1348.3 Ų48.35%0.05123%0.234CC..  trans-70.5144.9178-175.2-122.9000111.9L199 I204 L226 P231 E236 I240 K265 F266L199-Y229 HydrophobicContact CB-CD2 3.69Å; L199-Y229 HydrophobicContact CB-CE2 4.28Å; L199-Y229 HydrophobicContact CD1-CD2 4.4Å; L199-Y229 WeakPolarHBondContact O-CE2 3.38Å; I204-Y229 HydrophobicContact CD1-CD1 3.76Å; I204-Y229 HydrophobicContact CD1-CD2 3.86Å; I204-Y229 HydrophobicContact CD1-CE1 4.3Å; I204-Y229 HydrophobicContact CD1-CE2 4.42Å; I204-Y229 HydrophobicContact CD1-CG 3.51Å; I204-Y229 HydrophobicContact CG1-CD1 3.81Å; I204-Y229 HydrophobicContact CG1-CD2 3.99Å; I204-Y229 HydrophobicContact CG1-CE1 3.82Å; I204-Y229 HydrophobicContact CG1-CE2 4.03Å; I204-Y229 HydrophobicContact CG1-CG 3.89Å; I204-Y229 HydrophobicContact CG2-CD1 4.47Å; I204-Y229 HydrophobicContact CG2-CE1 4.47Å; L226-Y229 WeakPolarHBondContact O-CB 3.37Å; L226-Y229 PolarHBondContact O-N 3.29Å; L226-Y229 VanDerWaalsContact O-N 3.1Å; Y229-P231 HydrophobicContact CD1-CG 4.17Å; Y229-P231 HydrophobicContact CE1-CB 4.35Å; Y229-P231 HydrophobicContact CE1-CG 4.25Å; Y229-E236 PolarHBondContact OH-OE1 2.85Å; Y229-E236 PolarHBondContact OH-OE2 3.32Å; Y229-I240 HydrophobicContact CD1-CD1 3.92Å; Y229-I240 HydrophobicContact CE1-CD1 3.85Å; Y229-K265 PolarHBondContact O-NZ 2.97Å; Y229-F266 HydrophobicContact CD1-CZ 4.4Å
230N88Confident91.5Very high103 Ų10348 Ų4855%0.55123%0.233SC*.  trans-112.9104.3170.1-72.3-18.5000108.4K265N230-K265 PolarHBondContact OD1-NZ 3.14Å
231P89.3Confident91.5Very high17 Ų1747.2 Ų47.211%0.1123%0.229CC..  trans-53.4147.9173.2-25.933.5000112.6Y229 E236 A237 I240 F266 L269Y229-P231 HydrophobicContact CD1-CG 4.17Å; Y229-P231 HydrophobicContact CE1-CB 4.35Å; Y229-P231 HydrophobicContact CE1-CG 4.25Å; P231-E236 HydrophobicContact CB-CB 4.34Å; P231-E236 HydrophobicContact CB-CG 4.28Å; P231-A237 HydrophobicContact CB-CB 3.87Å; P231-A237 HydrophobicContact CG-CB 3.92Å; P231-I240 HydrophobicContact CG-CD1 4.14Å; P231-F266 HydrophobicContact CG-CD1 3.9Å; P231-F266 HydrophobicContact CG-CE1 3.35Å; P231-F266 HydrophobicContact CG-CE2 4.22Å; P231-F266 HydrophobicContact CG-CZ 3.54Å; P231-L269 HydrophobicContact CB-CD1 4.37Å; P231-L269 HydrophobicContact CG-CD1 3.88Å
232K86.4Confident91.5Very high156 Ų15648.6 Ų48.668%0.67824%0.236SC*.SBendtrans-71.6-36.6-179.3-65.7175173.1-173.20112.9P201 E236P201-K232 HydrophobicContact CG-CD 4.02Å; K232-E236 VanDerWaalsContact CB-OE2 3.29Å; K232-E236 WeakPolarHBondContact CB-OE2 3.44Å; K232-E236 VanDerWaalsContact CG-OE2 3.32Å; K232-E236 WeakPolarHBondContact CG-OE2 3.44Å; K232-E236 PolarHBondContact N-OE2 2.62Å
233D88.5Confident91.6Very high78 Ų7853 Ų5342%0.41725%0.252SS..SBendtrans-149.9170.2-178.666.723.1000111.5R235 E236 A237D233-R235 PolarHBondContact O-N 2.84Å; D233-R235 WeakPolarHBondContact OD1-CA 3.26Å; D233-R235 WeakPolarHBondContact OD1-CB 3.44Å; D233-R235 PolarHBondContact OD1-N 2.95Å; D233-R235 VanDerWaalsContact OD1-N 3.07Å; D233-E236 PolarHBondContact O-N 3.11Å; D233-E236 WeakPolarHBondContact OD1-CB 2.95Å; D233-E236 PolarHBondContact OD1-N 2.85Å; D233-A237 PolarHBondContact O-N 2.82Å
234D89.4Confident91.6Very high68 Ų6853 Ų5336%0.36425%0.252SS..Hα-helixtrans-59.7-28.9-180-50.70.2000112.2Q238 P271D234-Q238 VanDerWaalsContact O-CB 3.28Å; D234-Q238 WeakPolarHBondContact O-CB 3.47Å; D234-Q238 PolarHBondContact O-N 3.12Å; D234-P271 WeakPolarHBondContact OD2-CD 3.26Å; D234-P271 VanDerWaalsContact OD2-CG 3.29Å; D234-P271 WeakPolarHBondContact OD2-CG 3.41Å
235R89.7Confident91.8Very high207 Ų20751.6 Ų51.678%0.78125%0.246SC*.Hα-helixtrans-73.4-42.9-178.5-62.4178.4179.4178.81.2110.9D233 Q238 S239D233-R235 PolarHBondContact O-N 2.84Å; D233-R235 WeakPolarHBondContact OD1-CA 3.26Å; D233-R235 WeakPolarHBondContact OD1-CB 3.44Å; D233-R235 PolarHBondContact OD1-N 2.95Å; D233-R235 VanDerWaalsContact OD1-N 3.07Å; R235-Q238 PolarHBondContact O-N 3.34Å; R235-S239 WeakPolarHBondContact O-CB 3.4Å; R235-S239 PolarHBondContact O-N 2.94Å
236E92.7Very high92.1Very high33 Ų3355 Ų5515%0.15427%0.268CS..Hα-helixtrans-64.8-45.1173.2-175.7171.4-133.700110.3P201 Y229 P231 K232 D233 Q238 S239 I240P201-E236 WeakPolarHBondContact CB-OE1 3.37Å; P201-E236 WeakPolarHBondContact CG-OE1 3.46Å; Y229-E236 PolarHBondContact OH-OE1 2.85Å; Y229-E236 PolarHBondContact OH-OE2 3.32Å; P231-E236 HydrophobicContact CB-CB 4.34Å; P231-E236 HydrophobicContact CB-CG 4.28Å; K232-E236 VanDerWaalsContact CB-OE2 3.29Å; K232-E236 WeakPolarHBondContact CB-OE2 3.44Å; K232-E236 VanDerWaalsContact CG-OE2 3.32Å; K232-E236 WeakPolarHBondContact CG-OE2 3.44Å; K232-E236 PolarHBondContact N-OE2 2.62Å; D233-E236 PolarHBondContact O-N 3.11Å; D233-E236 WeakPolarHBondContact OD1-CB 2.95Å; D233-E236 PolarHBondContact OD1-N 2.85Å; E236-Q238 VanDerWaalsContact C-N 3.33Å; E236-Q238 PolarHBondContact O-N 3.09Å; E236-S239 PolarHBondContact O-N 2.85Å; E236-I240 HydrophobicContact CG-CD1 3.91Å; E236-I240 VanDerWaalsContact O-CG1 3.28Å; E236-I240 WeakPolarHBondContact O-CG1 3.39Å; E236-I240 PolarHBondContact O-N 2.87Å
237A92.2Very high92.3Very high0 Ų056.9 Ų56.90%028%0.275CS..Hα-helixtrans-57.1-46.417500000111.7P231 D233 I240 C241 F266 L269 L270P231-A237 HydrophobicContact CB-CB 3.87Å; P231-A237 HydrophobicContact CG-CB 3.92Å; D233-A237 PolarHBondContact O-N 2.82Å; A237-I240 PolarHBondContact O-N 2.89Å; A237-C241 PolarHBondContact O-N 2.89Å; A237-C241 PolarHBondContact O-SG 2.89Å; A237-F266 HydrophobicContact CB-CD1 4.34Å; A237-L269 HydrophobicContact CB-CB 4.22Å; A237-L270 HydrophobicContact CB-CD2 4.1Å
238Q93.7Very high92.5Very high62 Ų6256.8 Ų56.829%0.2927%0.274SS..Hα-helixtrans-59.8-48.7175.4175.3172.3-15.500111.5D234 R235 E236 I240 C241 E242 L270 Y276D234-Q238 VanDerWaalsContact O-CB 3.28Å; D234-Q238 WeakPolarHBondContact O-CB 3.47Å; D234-Q238 PolarHBondContact O-N 3.12Å; R235-Q238 PolarHBondContact O-N 3.34Å; E236-Q238 VanDerWaalsContact C-N 3.33Å; E236-Q238 PolarHBondContact O-N 3.09Å; Q238-I240 VanDerWaalsContact C-N 3.31Å; Q238-I240 PolarHBondContact O-N 2.84Å; Q238-C241 WeakPolarHBondContact O-CB 3.21Å; Q238-C241 PolarHBondContact O-N 2.84Å; Q238-C241 VanDerWaalsContact O-N 3.12Å; Q238-E242 HydrophobicContact CG-CG 4.47Å; Q238-E242 PolarHBondContact NE2-OE1 3.42Å; Q238-E242 WeakPolarHBondContact O-CG 3.4Å; Q238-E242 PolarHBondContact O-N 3.15Å; Q238-L270 HydrophobicContact CB-CD2 4Å; Q238-Y276 HydrophobicContact CB-CD1 4.45Å; Q238-Y276 HydrophobicContact CB-CE1 4.32Å; Q238-Y276 HydrophobicContact CG-CD1 3.78Å; Q238-Y276 HydrophobicContact CG-CD2 4.19Å; Q238-Y276 HydrophobicContact CG-CE1 3.7Å; Q238-Y276 HydrophobicContact CG-CE2 4.12Å; Q238-Y276 HydrophobicContact CG-CG 4.05Å
239S93.2Very high92.9Very high58 Ų5859 Ų5941%0.40630%0.295SS..Hα-helixtrans-59.5-41.5-179.7-172.70000112.3R235 E236 E242 R243R235-S239 WeakPolarHBondContact O-CB 3.4Å; R235-S239 PolarHBondContact O-N 2.94Å; E236-S239 PolarHBondContact O-N 2.85Å; S239-E242 PolarHBondContact O-N 3.09Å; S239-R243 WeakPolarHBondContact O-CG 3.4Å; S239-R243 PolarHBondContact O-N 2.92Å
240I94.7Very high93.1Very high4 Ų460.4 Ų60.42%0.02130%0.301CS..Hα-helixtrans-64.8-44.4175.7-63.7165.2000110.2I204 L208 Y229 P231 E236 A237 Q238 E242 R243 V244 F266I204-I240 HydrophobicContact CG2-CD1 3.92Å; I204-I240 HydrophobicContact CG2-CG1 4.16Å; L208-I240 HydrophobicContact CD1-CG1 4.08Å; L208-I240 HydrophobicContact CD1-CG2 4.47Å; L208-I240 HydrophobicContact CD2-CG2 4.34Å; Y229-I240 HydrophobicContact CD1-CD1 3.92Å; Y229-I240 HydrophobicContact CE1-CD1 3.85Å; P231-I240 HydrophobicContact CG-CD1 4.14Å; E236-I240 HydrophobicContact CG-CD1 3.91Å; E236-I240 VanDerWaalsContact O-CG1 3.28Å; E236-I240 WeakPolarHBondContact O-CG1 3.39Å; E236-I240 PolarHBondContact O-N 2.87Å; A237-I240 PolarHBondContact O-N 2.89Å; Q238-I240 VanDerWaalsContact C-N 3.31Å; Q238-I240 PolarHBondContact O-N 2.84Å; I240-E242 VanDerWaalsContact C-N 3.31Å; I240-E242 PolarHBondContact O-N 2.85Å; I240-R243 PolarHBondContact O-N 2.81Å; I240-R243 VanDerWaalsContact O-N 3.14Å; I240-V244 HydrophobicContact CG2-CG2 4.22Å; I240-V244 WeakPolarHBondContact O-CG2 3.42Å; I240-V244 PolarHBondContact O-N 2.96Å; I240-F266 HydrophobicContact CB-CD1 4.21Å; I240-F266 HydrophobicContact CB-CE1 3.77Å; I240-F266 HydrophobicContact CD1-CE1 3.72Å; I240-F266 HydrophobicContact CD1-CZ 4.41Å; I240-F266 HydrophobicContact CG1-CE1 4.34Å; I240-F266 HydrophobicContact CG2-CD1 4.1Å; I240-F266 HydrophobicContact CG2-CE1 3.5Å; I240-F266 VanDerWaalsContact CG2-CE1 3.5Å; I240-F266 HydrophobicContact CG2-CZ 4.33Å
241C96.2Very high93.4Very high0 Ų060.1 Ų60.10%031%0.314CS..Hα-helixtrans-59.2-41.8177.2-69.10000112A237 Q238 R243 V244 T245 L263 F266 Y276 L280A237-C241 PolarHBondContact O-N 2.89Å; A237-C241 PolarHBondContact O-SG 2.89Å; Q238-C241 WeakPolarHBondContact O-CB 3.21Å; Q238-C241 PolarHBondContact O-N 2.84Å; Q238-C241 VanDerWaalsContact O-N 3.12Å; C241-R243 VanDerWaalsContact C-N 3.28Å; C241-R243 PolarHBondContact O-N 2.86Å; C241-V244 PolarHBondContact O-N 3.43Å; C241-T245 WeakPolarHBondContact O-CB 3.3Å; C241-T245 PolarHBondContact O-N 2.96Å; C241-T245 PolarHBondContact O-OG1 3.36Å; C241-L263 HydrophobicContact CB-CD2 3.73Å; C241-F266 VanDerWaalsContact SG-CB 3.52Å; C241-Y276 HydrophobicContact CB-CE1 4.2Å; C241-Y276 WeakPolarHBondContact CB-OH 3.49Å; C241-L280 HydrophobicContact CB-CD2 4.14Å
242E94.6Very high93.6Very high96 Ų9661.4 Ų61.445%0.44932%0.32SS..Hα-helixtrans-60.8-38.6177.2-71.8175-177.900111.7Q238 S239 I240 P246 Y276Q238-E242 HydrophobicContact CG-CG 4.47Å; Q238-E242 PolarHBondContact NE2-OE1 3.42Å; Q238-E242 WeakPolarHBondContact O-CG 3.4Å; Q238-E242 PolarHBondContact O-N 3.15Å; S239-E242 PolarHBondContact O-N 3.09Å; I240-E242 VanDerWaalsContact C-N 3.31Å; I240-E242 PolarHBondContact O-N 2.85Å; E242-P246 WeakPolarHBondContact O-CD 3.43Å; E242-Y276 HydrophobicContact CG-CE2 3.68Å; E242-Y276 VanDerWaalsContact CG-OH 3.28Å; E242-Y276 WeakPolarHBondContact CG-OH 3.38Å; E242-Y276 PolarHBondContact N-OH 3Å
243R95.4Very high94Very high92 Ų9255.8 Ų55.835%0.34730%0.3SS..Hα-helixtrans-76.1-28.9178.7-67.3-70.9-64.2-111-4.9113.6L208 S239 I240 C241 P246L208-R243 HydrophobicContact CD1-CB 4.24Å; L208-R243 HydrophobicContact CD1-CG 4.41Å; L208-R243 HydrophobicContact CD2-CB 3.96Å; L208-R243 PolarHBondContact O-NH2 3.31Å; S239-R243 WeakPolarHBondContact O-CG 3.4Å; S239-R243 PolarHBondContact O-N 2.92Å; I240-R243 PolarHBondContact O-N 2.81Å; I240-R243 VanDerWaalsContact O-N 3.14Å; C241-R243 VanDerWaalsContact C-N 3.28Å; C241-R243 PolarHBondContact O-N 2.86Å; R243-P246 WeakPolarHBondContact O-CD 3.32Å
244V97Very high94.3Very high0 Ų054 Ų540%030%0.296CS..Hα-helixtrans-82.7-32.5177.1171.60000112L208 L211 L223 L226 I240 C241 P246 R247 A259 V262 L263L208-V244 HydrophobicContact CD2-CG2 4.12Å; L211-V244 HydrophobicContact CD2-CG2 4.46Å; L223-V244 HydrophobicContact CD2-CG1 3.79Å; L223-V244 HydrophobicContact CD2-CG2 4.12Å; L226-V244 HydrophobicContact CD1-CG2 4.26Å; I240-V244 HydrophobicContact CG2-CG2 4.22Å; I240-V244 WeakPolarHBondContact O-CG2 3.42Å; I240-V244 PolarHBondContact O-N 2.96Å; C241-V244 PolarHBondContact O-N 3.43Å; V244-P246 VanDerWaalsContact C-N 3.34Å; V244-P246 VanDerWaalsContact O-N 3.13Å; V244-R247 VanDerWaalsContact O-CB 3.25Å; V244-R247 WeakPolarHBondContact O-CB 3.47Å; V244-R247 WeakPolarHBondContact O-CG 3.24Å; V244-R247 PolarHBondContact O-N 3.37Å; V244-A259 HydrophobicContact CG1-CB 3.98Å; V244-V262 HydrophobicContact CG1-CB 4.41Å; V244-V262 HydrophobicContact CG1-CG1 4.44Å; V244-V262 HydrophobicContact CG2-CG1 4.27Å; V244-L263 HydrophobicContact CB-CD2 4.28Å; V244-L263 HydrophobicContact CG1-CD1 4.48Å; V244-L263 HydrophobicContact CG1-CD2 4.18Å; V244-L263 HydrophobicContact CG1-CG 4.11Å
245T96.6Very high94.6Very high21 Ų2150.8 Ų50.813%0.12928%0.279CS..G310 helixtrans-47.7-42.2-176.2-66.30000114.7C241 R247 L248 K283C241-T245 WeakPolarHBondContact O-CB 3.3Å; C241-T245 PolarHBondContact O-N 2.96Å; C241-T245 PolarHBondContact O-OG1 3.36Å; T245-R247 PolarHBondContact O-N 3.03Å; T245-R247 VanDerWaalsContact O-N 3.11Å; T245-L248 HydrophobicContact CG2-CD1 4.35Å; T245-L248 VanDerWaalsContact O-CB 3.23Å; T245-L248 WeakPolarHBondContact O-CB 3.35Å; T245-L248 WeakPolarHBondContact O-CG 3.26Å; T245-L248 PolarHBondContact O-N 3.37Å; T245-K283 HydrophobicContact CG2-CD 3.91Å
246P96Very high95Very high72 Ų7241.2 Ų41.247%0.46824%0.244SC..G310 helixtrans-59-23.4178.1-26.135.9000114.7E242 R243 V244 L248 S249E242-P246 WeakPolarHBondContact O-CD 3.43Å; R243-P246 WeakPolarHBondContact O-CD 3.32Å; V244-P246 VanDerWaalsContact C-N 3.34Å; V244-P246 VanDerWaalsContact O-N 3.13Å; P246-L248 PolarHBondContact O-N 2.78Å; P246-S249 PolarHBondContact O-N 3.12Å
247R96Very high95.2Very high40 Ų4040.2 Ų40.215%0.15124%0.239CC..G310 helixtrans-70.5-16.4177.7-57.7-58.2104.3-171.96.7113.1L211 V244 T245 S249 H250 V255 A259L211-R247 HydrophobicContact CD2-CG 4.08Å; L211-R247 HydrophobicContact CG-CG 4.34Å; V244-R247 VanDerWaalsContact O-CB 3.25Å; V244-R247 WeakPolarHBondContact O-CB 3.47Å; V244-R247 WeakPolarHBondContact O-CG 3.24Å; V244-R247 PolarHBondContact O-N 3.37Å; T245-R247 PolarHBondContact O-N 3.03Å; T245-R247 VanDerWaalsContact O-N 3.11Å; R247-S249 PolarHBondContact O-N 2.93Å; R247-H250 WeakPolarHBondContact O-CB 3.49Å; R247-H250 PolarHBondContact O-N 3.43Å; R247-V255 HydrophobicContact CB-CG1 4.29Å; R247-A259 HydrophobicContact CB-CB 3.81Å
248L96.7Very high95.5Very high7 Ų740.5 Ų40.54%0.03724%0.241CC..G310 helixtrans-64.3-24.9175.9-71178.1000113.4T245 P246 A259 V260 L263 L284 P287T245-L248 HydrophobicContact CG2-CD1 4.35Å; T245-L248 VanDerWaalsContact O-CB 3.23Å; T245-L248 WeakPolarHBondContact O-CB 3.35Å; T245-L248 WeakPolarHBondContact O-CG 3.26Å; T245-L248 PolarHBondContact O-N 3.37Å; P246-L248 PolarHBondContact O-N 2.78Å; L248-A259 HydrophobicContact CD2-CB 4.16Å; L248-V260 HydrophobicContact CD2-CG2 3.61Å; L248-L263 HydrophobicContact CD1-CD1 3.67Å; L248-L263 HydrophobicContact CD2-CD1 3.93Å; L248-L263 HydrophobicContact CG-CD1 3.91Å; L248-L284 HydrophobicContact CD1-CD2 4.04Å; L248-L284 HydrophobicContact CD2-CD2 4.05Å; L248-P287 HydrophobicContact CB-CB 4.15Å; L248-P287 HydrophobicContact CB-CG 3.6Å; L248-P287 HydrophobicContact CD1-CG 4.21Å; L248-P287 HydrophobicContact CD2-CB 4.35Å; L248-P287 HydrophobicContact CD2-CG 4.31Å; L248-P287 HydrophobicContact CG-CG 4.27Å; L248-P287 WeakPolarHBondContact O-CB 3.19Å
249S94.1Very high95.7Very high112 Ų11237.6 Ų37.678%0.78323%0.227SC*.G310 helixtrans-96.515.3178.5-53.60000113P246 R247P246-S249 PolarHBondContact O-N 3.12Å; R247-S249 PolarHBondContact O-N 2.93Å
250H95.5Very high95.9Very high42 Ų4234.9 Ų34.919%0.19421%0.208CC..  trans-72.3148.5-178.9-164.2-87.4000111.5E216 R247 N252 V255 V256E216-H250 IonicContact OE1-CE1 3.4Å; E216-H250 PolarHBondContact OE1-CE1 2.8Å; E216-H250 VanDerWaalsContact OE1-CE1 3.3Å; R247-H250 WeakPolarHBondContact O-CB 3.49Å; R247-H250 PolarHBondContact O-N 3.43Å; H250-N252 PolarHBondContact ND1-N 3.04Å; H250-N252 VanDerWaalsContact ND1-N 3.13Å; H250-V255 HydrophobicContact CB-CB 4.22Å; H250-V255 HydrophobicContact CB-CG1 3.92Å; H250-V256 HydrophobicContact CB-CG2 4.23Å; H250-V256 VanDerWaalsContact O-CG2 3.32Å; H250-V256 WeakPolarHBondContact O-CG2 3.36Å
251A92.8Very high96Very high98 Ų9835.6 Ų35.681%0.8121%0.212SC*.SBendtrans-68-40.1-178.100000112.6S253A251-S253 PolarHBondContact O-N 3.42Å
252N93.8Very high96Very high44 Ų4435.6 Ų35.624%0.23521%0.212CC..SBendtrans-75.8118.7177.7-173.4-32.2000112.1E216 H250 A254 V255 V256E216-N252 WeakPolarHBondContact OE1-CB 3.34Å; E216-N252 PolarHBondContact OE2-ND2 3.15Å; H250-N252 PolarHBondContact ND1-N 3.04Å; H250-N252 VanDerWaalsContact ND1-N 3.13Å; N252-A254 VanDerWaalsContact C-N 3.27Å; N252-A254 PolarHBondContact O-N 2.9Å; N252-A254 WeakPolarHBondContact OD1-CB 3.46Å; N252-A254 PolarHBondContact OD1-N 2.86Å; N252-V255 HydrophobicContact CB-CG2 4.1Å; N252-V255 WeakPolarHBondContact O-CB 3.34Å; N252-V255 PolarHBondContact O-N 2.82Å; N252-V256 PolarHBondContact O-N 3.36Å
253S95.1Very high96.2Very high37 Ų3731 Ų3126%0.25919%0.19SC..Hα-helixtrans-57.7-31.9179.7-56.50000114.5A251 V256 L257A251-S253 PolarHBondContact O-N 3.42Å; S253-V256 PolarHBondContact O-N 2.8Å; S253-L257 PolarHBondContact O-N 2.86Å
254A95.2Very high96.2Very high42 Ų4226.7 Ų26.735%0.34717%0.174SC..Hα-helixtrans-67.5-41.9178.500000111.3I220 N252 V256 L257 S258I220-A254 HydrophobicContact CD1-CB 3.66Å; I220-A254 HydrophobicContact CG1-CB 4.43Å; N252-A254 VanDerWaalsContact C-N 3.27Å; N252-A254 PolarHBondContact O-N 2.9Å; N252-A254 WeakPolarHBondContact OD1-CB 3.46Å; N252-A254 PolarHBondContact OD1-N 2.86Å; A254-V256 VanDerWaalsContact C-N 3.29Å; A254-V256 PolarHBondContact O-N 2.83Å; A254-L257 PolarHBondContact O-N 3.3Å; A254-S258 PolarHBondContact O-N 2.87Å; A254-S258 PolarHBondContact O-OG 2.82Å
255V96.6Very high96Very high0 Ų027.7 Ų27.70%018%0.178CC..Hα-helixtrans-60.5-42.3174179.20000110.3E216 Q219 I220 L223 R247 H250 N252 S258 A259E216-V255 HydrophobicContact CB-CG2 4.13Å; Q219-V255 HydrophobicContact CB-CG1 4.3Å; Q219-V255 HydrophobicContact CB-CG2 4.43Å; I220-V255 HydrophobicContact CD1-CG2 4.3Å; I220-V255 HydrophobicContact CG1-CG2 3.97Å; L223-V255 HydrophobicContact CD1-CG1 4.16Å; R247-V255 HydrophobicContact CB-CG1 4.29Å; H250-V255 HydrophobicContact CB-CB 4.22Å; H250-V255 HydrophobicContact CB-CG1 3.92Å; N252-V255 HydrophobicContact CB-CG2 4.1Å; N252-V255 WeakPolarHBondContact O-CB 3.34Å; N252-V255 PolarHBondContact O-N 2.82Å; V255-S258 PolarHBondContact O-N 3Å; V255-A259 WeakPolarHBondContact O-CB 3.42Å; V255-A259 PolarHBondContact O-N 2.83Å
256V97.5Very high95.9Very high6 Ų626.7 Ų26.74%0.03617%0.172CC..Hα-helixtrans-62.6-48177.51790000111H250 N252 S253 A254 A259 V260 P287 L291H250-V256 HydrophobicContact CB-CG2 4.23Å; H250-V256 VanDerWaalsContact O-CG2 3.32Å; H250-V256 WeakPolarHBondContact O-CG2 3.36Å; N252-V256 PolarHBondContact O-N 3.36Å; S253-V256 PolarHBondContact O-N 2.8Å; A254-V256 VanDerWaalsContact C-N 3.29Å; A254-V256 PolarHBondContact O-N 2.83Å; V256-A259 WeakPolarHBondContact O-CB 3.34Å; V256-A259 PolarHBondContact O-N 2.85Å; V256-V260 HydrophobicContact CG1-CG2 4.44Å; V256-V260 VanDerWaalsContact O-CG2 3.3Å; V256-V260 WeakPolarHBondContact O-CG2 3.46Å; V256-V260 PolarHBondContact O-N 3.07Å; V256-P287 HydrophobicContact CG1-CB 4.02Å; V256-L291 HydrophobicContact CB-CD2 4.19Å; V256-L291 HydrophobicContact CG1-CD1 4.22Å; V256-L291 HydrophobicContact CG1-CD2 4.16Å; V256-L291 HydrophobicContact CG1-CG 4.27Å
257L97.2Very high95.8Very high11 Ų1123.4 Ų23.46%0.05815%0.15CC..Hα-helixtrans-64.4-41178.9-75.1175.5000112.5S253 A254 A259 V260 K261 L291 V301 N305 I567S253-L257 PolarHBondContact O-N 2.86Å; A254-L257 PolarHBondContact O-N 3.3Å; L257-A259 VanDerWaalsContact C-N 3.32Å; L257-A259 PolarHBondContact O-N 3.12Å; L257-V260 PolarHBondContact O-N 3.19Å; L257-K261 PolarHBondContact O-N 3.01Å; L257-L291 HydrophobicContact CD2-CD1 3.71Å; L257-L291 HydrophobicContact CG-CD1 4.05Å; L257-V301 HydrophobicContact CD1-CG1 4.26Å; L257-N305 HydrophobicContact CD2-CB 4.11Å; L257-I567 HydrophobicContact CB-CG2 4.45Å; L257-I567 HydrophobicContact CD2-CG2 4.25Å
258S96.8Very high95.5Very high7 Ų723.1 Ų23.15%0.04915%0.151CC..Hα-helixtrans-63.6-37.5173.8-72.50000112D224 A254 V255 K261 V262D224-S258 PolarHBondContact OD1-OG 3.2Å; A254-S258 PolarHBondContact O-N 2.87Å; A254-S258 PolarHBondContact O-OG 2.82Å; V255-S258 PolarHBondContact O-N 3Å; S258-K261 WeakPolarHBondContact O-CB 3.46Å; S258-K261 PolarHBondContact O-N 2.9Å; S258-V262 WeakPolarHBondContact O-CG2 3.27Å; S258-V262 PolarHBondContact O-N 3.33Å
259A98Very high95.2Very high0 Ų024.2 Ų24.20%016%0.157CC..Hα-helixtrans-65.8-44.2173.600000111.6L223 V244 R247 L248 V255 V256 L257 K261 V262 L263L223-A259 HydrophobicContact CD1-CB 4.21Å; V244-A259 HydrophobicContact CG1-CB 3.98Å; R247-A259 HydrophobicContact CB-CB 3.81Å; L248-A259 HydrophobicContact CD2-CB 4.16Å; V255-A259 WeakPolarHBondContact O-CB 3.42Å; V255-A259 PolarHBondContact O-N 2.83Å; V256-A259 WeakPolarHBondContact O-CB 3.34Å; V256-A259 PolarHBondContact O-N 2.85Å; L257-A259 VanDerWaalsContact C-N 3.32Å; L257-A259 PolarHBondContact O-N 3.12Å; A259-K261 VanDerWaalsContact C-N 3.31Å; A259-K261 PolarHBondContact O-N 2.84Å; A259-V262 PolarHBondContact O-N 2.95Å; A259-L263 VanDerWaalsContact O-CG 3.28Å; A259-L263 WeakPolarHBondContact O-CG 3.4Å; A259-L263 PolarHBondContact O-N 3.36Å
260V98.1Very high95.1Very high1 Ų119.1 Ų19.11%0.00612%0.12CC..Hα-helixtrans-58.5-42.7174.2170.50000110.9L248 V256 L257 V262 L263 M264 L284 L288 I309L248-V260 HydrophobicContact CD2-CG2 3.61Å; V256-V260 HydrophobicContact CG1-CG2 4.44Å; V256-V260 VanDerWaalsContact O-CG2 3.3Å; V256-V260 WeakPolarHBondContact O-CG2 3.46Å; V256-V260 PolarHBondContact O-N 3.07Å; L257-V260 PolarHBondContact O-N 3.19Å; V260-V262 PolarHBondContact O-N 3.03Å; V260-L263 PolarHBondContact O-N 3.35Å; V260-M264 HydrophobicContact CG1-CG 3.92Å; V260-M264 VanDerWaalsContact O-CB 3.29Å; V260-M264 WeakPolarHBondContact O-CB 3.33Å; V260-M264 VanDerWaalsContact O-CG 3.27Å; V260-M264 WeakPolarHBondContact O-CG 3.45Å; V260-M264 PolarHBondContact O-N 2.84Å; V260-L284 HydrophobicContact CG2-CD2 4.16Å; V260-L288 HydrophobicContact CG1-CD2 4.36Å; V260-L288 HydrophobicContact CG2-CD2 4.19Å; V260-I309 HydrophobicContact CG1-CD1 3.64Å
261K97.3Very high94.8Very high20 Ų2019.7 Ų19.79%0.08713%0.128CC..Hα-helixtrans-55.1-52.3175.9178.617657-169.10111.8D224 L257 S258 A259 L263 M264 K265 C565 I567D224-K261 VanDerWaalsContact CG-NZ 3.27Å; D224-K261 VanDerWaalsContact OD1-CE 3.32Å; D224-K261 WeakPolarHBondContact OD1-CE 3.19Å; D224-K261 IonicContact OD1-NZ 3.25Å; D224-K261 PolarHBondContact OD1-NZ 3.44Å; D224-K261 IonicContact OD2-NZ 3.75Å; L257-K261 PolarHBondContact O-N 3.01Å; S258-K261 WeakPolarHBondContact O-CB 3.46Å; S258-K261 PolarHBondContact O-N 2.9Å; A259-K261 VanDerWaalsContact C-N 3.31Å; A259-K261 PolarHBondContact O-N 2.84Å; K261-L263 PolarHBondContact O-N 3.23Å; K261-M264 PolarHBondContact O-N 3.36Å; K261-K265 PolarHBondContact O-N 2.85Å; K261-K265 VanDerWaalsContact O-N 3.11Å; K261-C565 WeakPolarHBondContact CD-O 3.44Å; K261-I567 HydrophobicContact CB-CB 3.89Å; K261-I567 HydrophobicContact CB-CG2 4.09Å; K261-I567 WeakPolarHBondContact CD-O 3.41Å; K261-I567 HydrophobicContact CG-CB 4.24Å
262V96.6Very high94.6Very high0 Ų021.8 Ų21.80%012%0.119CC..Hα-helixtrans-58.1-49.4178.9176.30000110.6L223 L226 V244 S258 A259 V260 M264 K265 F266L223-V262 HydrophobicContact CB-CG2 4.3Å; L223-V262 HydrophobicContact CD2-CG2 4.28Å; L223-V262 WeakPolarHBondContact O-CG2 3.28Å; L226-V262 HydrophobicContact CB-CG2 4.32Å; V244-V262 HydrophobicContact CG1-CB 4.41Å; V244-V262 HydrophobicContact CG1-CG1 4.44Å; V244-V262 HydrophobicContact CG2-CG1 4.27Å; S258-V262 WeakPolarHBondContact O-CG2 3.27Å; S258-V262 PolarHBondContact O-N 3.33Å; A259-V262 PolarHBondContact O-N 2.95Å; V260-V262 PolarHBondContact O-N 3.03Å; V262-M264 PolarHBondContact O-N 2.92Å; V262-K265 PolarHBondContact O-N 2.98Å; V262-F266 HydrophobicContact CG1-CD2 4.42Å; V262-F266 HydrophobicContact CG1-CE2 4.44Å; V262-F266 WeakPolarHBondContact O-CB 3.36Å; V262-F266 WeakPolarHBondContact O-CD2 3.11Å; V262-F266 PolarHBondContact O-N 3.46Å
263L97.2Very high94.3Very high0 Ų027.3 Ų27.30%015%0.149CC..Hα-helixtrans-66-40.1-177.7-64.6173.9000112.3C241 V244 L248 A259 V260 K261 K265 F266 L267 L280 L284C241-L263 HydrophobicContact CB-CD2 3.73Å; V244-L263 HydrophobicContact CB-CD2 4.28Å; V244-L263 HydrophobicContact CG1-CD1 4.48Å; V244-L263 HydrophobicContact CG1-CD2 4.18Å; V244-L263 HydrophobicContact CG1-CG 4.11Å; L248-L263 HydrophobicContact CD1-CD1 3.67Å; L248-L263 HydrophobicContact CD2-CD1 3.93Å; L248-L263 HydrophobicContact CG-CD1 3.91Å; A259-L263 VanDerWaalsContact O-CG 3.28Å; A259-L263 WeakPolarHBondContact O-CG 3.4Å; A259-L263 PolarHBondContact O-N 3.36Å; V260-L263 PolarHBondContact O-N 3.35Å; K261-L263 PolarHBondContact O-N 3.23Å; L263-K265 VanDerWaalsContact C-N 3.32Å; L263-K265 PolarHBondContact O-N 3.14Å; L263-F266 PolarHBondContact O-N 3.2Å; L263-L267 WeakPolarHBondContact O-CB 3.46Å; L263-L267 VanDerWaalsContact O-CG 3.24Å; L263-L267 WeakPolarHBondContact O-CG 3.3Å; L263-L267 PolarHBondContact O-N 3.15Å; L263-L280 HydrophobicContact CD1-CD1 4.24Å; L263-L280 HydrophobicContact CD2-CD1 4.21Å; L263-L280 HydrophobicContact CD2-CD2 4.3Å; L263-L284 HydrophobicContact CB-CD2 4.24Å; L263-L284 HydrophobicContact CD1-CD2 3.86Å
264M95.5Very high94Very high1 Ų127.3 Ų27.31%0.00515%0.149CC..Hα-helixtrans-62-40.8177.6-78.9-64.2-68.400111.8V260 K261 V262 L267 L284 I309 K312 R313 I316 I564 I567V260-M264 HydrophobicContact CG1-CG 3.92Å; V260-M264 VanDerWaalsContact O-CB 3.29Å; V260-M264 WeakPolarHBondContact O-CB 3.33Å; V260-M264 VanDerWaalsContact O-CG 3.27Å; V260-M264 WeakPolarHBondContact O-CG 3.45Å; V260-M264 PolarHBondContact O-N 2.84Å; K261-M264 PolarHBondContact O-N 3.36Å; V262-M264 PolarHBondContact O-N 2.92Å; M264-L267 HydrophobicContact SD-CD1 4.36Å; M264-L284 HydrophobicContact SD-CD1 4.17Å; M264-I309 HydrophobicContact CE-CB 4.37Å; M264-I309 HydrophobicContact CE-CG1 4.26Å; M264-I309 HydrophobicContact CE-CG2 3.97Å; M264-I309 HydrophobicContact CG-CG1 4.5Å; M264-I309 HydrophobicContact SD-CG2 4.08Å; M264-K312 HydrophobicContact CE-CB 4.37Å; M264-K312 HydrophobicContact CE-CG 4.38Å; M264-R313 HydrophobicContact CE-CG 4.48Å; M264-R313 PolarHBondContact O-NH1 3.04Å; M264-R313 VanDerWaalsContact O-NH1 3.07Å; M264-R313 PolarHBondContact O-NH2 3.44Å; M264-R313 PolarHBondContact SD-NH1 2.98Å; M264-I316 HydrophobicContact SD-CD1 3.95Å; M264-I564 HydrophobicContact CB-CG2 3.96Å; M264-I564 HydrophobicContact CE-CD1 4.12Å; M264-I567 HydrophobicContact CB-CD1 4.32Å; M264-I567 HydrophobicContact CG-CD1 4.19Å
265K93.7Very high93.9Very high21 Ų2132.2 Ų32.29%0.09117%0.169CC..Hα-helixtrans-66.6-47.6174.8-172.9-174.2178.6-166.50111.5S227 Y229 N230 K261 V262 L263 L267 E268 L593 P594S227-K265 WeakPolarHBondContact O-CD 3.37Å; S227-K265 WeakPolarHBondContact O-CE 3.29Å; S227-K265 PolarHBondContact O-NZ 3.27Å; Y229-K265 PolarHBondContact O-NZ 2.97Å; N230-K265 PolarHBondContact OD1-NZ 3.14Å; K261-K265 PolarHBondContact O-N 2.85Å; K261-K265 VanDerWaalsContact O-N 3.11Å; V262-K265 PolarHBondContact O-N 2.98Å; L263-K265 VanDerWaalsContact C-N 3.32Å; L263-K265 PolarHBondContact O-N 3.14Å; K265-L267 VanDerWaalsContact C-N 3.29Å; K265-L267 PolarHBondContact O-N 3.47Å; K265-E268 WeakPolarHBondContact O-CB 3.42Å; K265-E268 PolarHBondContact O-N 3.48Å; K265-E268 VanDerWaalsContact O-N 3.16Å; K265-L593 HydrophobicContact CB-CD2 4.21Å; K265-L593 HydrophobicContact CG-CD2 4.05Å; K265-P594 HydrophobicContact CG-CG 4.06Å
266F94.4Very high93.7Very high0 Ų033.1 Ų33.10%017%0.172CC..Hα-helixtrans-73.4-23.6-174.2-80.6-145.9000112.6Y229 P231 A237 I240 C241 V262 L263 E268 L269 L270Y229-F266 HydrophobicContact CD1-CZ 4.4Å; P231-F266 HydrophobicContact CG-CD1 3.9Å; P231-F266 HydrophobicContact CG-CE1 3.35Å; P231-F266 HydrophobicContact CG-CE2 4.22Å; P231-F266 HydrophobicContact CG-CZ 3.54Å; A237-F266 HydrophobicContact CB-CD1 4.34Å; I240-F266 HydrophobicContact CB-CD1 4.21Å; I240-F266 HydrophobicContact CB-CE1 3.77Å; I240-F266 HydrophobicContact CD1-CE1 3.72Å; I240-F266 HydrophobicContact CD1-CZ 4.41Å; I240-F266 HydrophobicContact CG1-CE1 4.34Å; I240-F266 HydrophobicContact CG2-CD1 4.1Å; I240-F266 HydrophobicContact CG2-CE1 3.5Å; I240-F266 VanDerWaalsContact CG2-CE1 3.5Å; I240-F266 HydrophobicContact CG2-CZ 4.33Å; C241-F266 VanDerWaalsContact SG-CB 3.52Å; V262-F266 HydrophobicContact CG1-CD2 4.42Å; V262-F266 HydrophobicContact CG1-CE2 4.44Å; V262-F266 WeakPolarHBondContact O-CB 3.36Å; V262-F266 WeakPolarHBondContact O-CD2 3.11Å; V262-F266 PolarHBondContact O-N 3.46Å; L263-F266 PolarHBondContact O-N 3.2Å; F266-E268 PolarHBondContact O-N 2.68Å; F266-L269 WeakPolarHBondContact O-CB 3.49Å; F266-L269 PolarHBondContact O-N 2.77Å; F266-L270 PolarHBondContact O-N 2.8Å
267L93.3Very high93.5Very high2 Ų233.7 Ų33.71%0.0117%0.174CC..G310 helixtrans-58.3-25.7169.9-84.7165.5000113.1L263 M264 K265 L269 L270 Y277 L280 L281 L284 R313L263-L267 WeakPolarHBondContact O-CB 3.46Å; L263-L267 VanDerWaalsContact O-CG 3.24Å; L263-L267 WeakPolarHBondContact O-CG 3.3Å; L263-L267 PolarHBondContact O-N 3.15Å; M264-L267 HydrophobicContact SD-CD1 4.36Å; K265-L267 VanDerWaalsContact C-N 3.29Å; K265-L267 PolarHBondContact O-N 3.47Å; L267-L269 PolarHBondContact O-N 3.46Å; L267-L270 HydrophobicContact CD2-CD1 4.34Å; L267-L270 PolarHBondContact O-N 2.89Å; L267-Y277 HydrophobicContact CB-CE2 4.27Å; L267-Y277 HydrophobicContact CD2-CD2 3.48Å; L267-Y277 VanDerWaalsContact CD2-CD2 3.48Å; L267-Y277 HydrophobicContact CD2-CE2 3.58Å; L267-Y277 HydrophobicContact CD2-CG 4.25Å; L267-L280 HydrophobicContact CD1-CD2 4.44Å; L267-L280 HydrophobicContact CD2-CB 4.28Å; L267-L280 HydrophobicContact CD2-CD2 3.73Å; L267-L280 HydrophobicContact CD2-CG 4.12Å; L267-L280 HydrophobicContact CG-CD2 3.87Å; L267-L280 HydrophobicContact CG-CG 4.41Å; L267-L281 HydrophobicContact CD1-CD2 3.81Å; L267-L281 HydrophobicContact CD2-CD2 4.24Å; L267-L284 HydrophobicContact CD1-CD1 3.69Å; L267-R313 VanDerWaalsContact CB-NH1 3.26Å; L267-R313 VanDerWaalsContact CB-NH2 3.27Å
268E90.6Very high93.3Very high34 Ų3436.6 Ų36.616%0.15919%0.189CC..G310 helixtrans-71-19.7174.4-62.4-63.9153.500112.9K265 F266 K312 R313 L593K265-E268 WeakPolarHBondContact O-CB 3.42Å; K265-E268 PolarHBondContact O-N 3.48Å; K265-E268 VanDerWaalsContact O-N 3.16Å; F266-E268 PolarHBondContact O-N 2.68Å; E268-K312 WeakPolarHBondContact OE1-CE 3.46Å; E268-K312 IonicContact OE1-NZ 3.37Å; E268-R313 IonicContact OE1-CZ 3.97Å; E268-R313 IonicContact OE1-NH2 3.47Å; E268-R313 PolarHBondContact OE1-NH2 3.13Å; E268-L593 HydrophobicContact CG-CB 4.19Å; E268-L593 HydrophobicContact CG-CD1 4Å; E268-L593 HydrophobicContact CG-CD2 4.17Å; E268-L593 HydrophobicContact CG-CG 4.36Å
269L90Very high93.1Very high30 Ų3039.9 Ų39.916%0.15721%0.205CC..G310 helixtrans-94-5.9178.5-60.8173.8000112.8P231 A237 F266 L267 P594P231-L269 HydrophobicContact CB-CD1 4.37Å; P231-L269 HydrophobicContact CG-CD1 3.88Å; A237-L269 HydrophobicContact CB-CB 4.22Å; F266-L269 WeakPolarHBondContact O-CB 3.49Å; F266-L269 PolarHBondContact O-N 2.77Å; L267-L269 PolarHBondContact O-N 3.46Å; L269-P594 HydrophobicContact CD1-CB 4.5Å; L269-P594 HydrophobicContact CD1-CG 4.33Å; L269-P594 HydrophobicContact CD2-CB 3.45Å; L269-P594 VanDerWaalsContact CD2-CB 3.45Å; L269-P594 HydrophobicContact CD2-CG 4.16Å; L269-P594 HydrophobicContact CG-CB 4.01Å; L269-P594 HydrophobicContact CG-CG 4.22Å
270L92.2Very high93Very high5 Ų539.9 Ų39.93%0.02621%0.205CC..SBendtrans-98.2141.8-177.9-66.2175.6000110.7A237 Q238 F266 L267 K272 Y276 Y277 L280A237-L270 HydrophobicContact CB-CD2 4.1Å; Q238-L270 HydrophobicContact CB-CD2 4Å; F266-L270 PolarHBondContact O-N 2.8Å; L267-L270 HydrophobicContact CD2-CD1 4.34Å; L267-L270 PolarHBondContact O-N 2.89Å; L270-K272 PolarHBondContact O-N 2.9Å; L270-Y276 HydrophobicContact CD1-CD1 4Å; L270-Y276 HydrophobicContact CD1-CE1 3.94Å; L270-Y277 HydrophobicContact CB-CD2 4.17Å; L270-L280 HydrophobicContact CD1-CD2 4.2Å
271P89.5Confident92.8Very high54 Ų5440.2 Ų40.235%0.35121%0.207SC..  trans-60123.8174.8-23.933.1000111.4D234 D273 S274 Y277D234-P271 WeakPolarHBondContact OD2-CD 3.26Å; D234-P271 VanDerWaalsContact OD2-CG 3.29Å; D234-P271 WeakPolarHBondContact OD2-CG 3.41Å; P271-D273 PolarHBondContact O-N 3.24Å; P271-S274 WeakPolarHBondContact O-CB 3.37Å; P271-S274 PolarHBondContact O-N 3.01Å; P271-Y277 WeakPolarHBondContact O-CB 3.29Å
272K87.6Confident92.7Very high143 Ų14347.1 Ų47.162%0.62224%0.237SC*.THydrogen-bonded Turntrans-61.2-29.8-176.5-65.1-176.5179.7-179.80113.5L270 S274 Y277L270-K272 PolarHBondContact O-N 2.9Å; K272-S274 VanDerWaalsContact C-N 3.25Å; K272-S274 PolarHBondContact O-N 3.17Å; K272-Y277 HydrophobicContact CG-CE2 4.38Å; K272-Y277 WeakPolarHBondContact O-CD1 3.49Å
273D87.1Confident92.6Very high160 Ų16051.4 Ų51.486%0.85626%0.256SS*.THydrogen-bonded Turntrans-80.6-4.3178.5-60-40.3000113.2P271P271-D273 PolarHBondContact O-N 3.24Å
274S90.5Very high92.6Very high37 Ų3751.5 Ų51.526%0.25926%0.256SS..  trans-69.9138.5179.9-179.70000111.9P271 K272 Y276 Y277 N278P271-S274 WeakPolarHBondContact O-CB 3.37Å; P271-S274 PolarHBondContact O-N 3.01Å; K272-S274 VanDerWaalsContact C-N 3.25Å; K272-S274 PolarHBondContact O-N 3.17Å; S274-Y276 PolarHBondContact O-N 3.06Å; S274-Y276 PolarHBondContact OG-N 2.73Å; S274-Y277 WeakPolarHBondContact O-CB 3.47Å; S274-Y277 PolarHBondContact O-N 3.18Å; S274-N278 PolarHBondContact O-N 2.9Å; S274-N278 PolarHBondContact O-ND2 3.39Å
275D91.5Very high92.6Very high145 Ų14551.8 Ų51.878%0.77526%0.259SS*.Hα-helixtrans-58-34.6169.6-71.6-38000111.4N278 M279D275-N278 PolarHBondContact O-N 2.81Å; D275-M279 WeakPolarHBondContact O-CB 3.42Å; D275-M279 PolarHBondContact O-N 2.82Å
276Y92.5Very high92.7Very high19 Ų1954.4 Ų54.48%0.07528%0.278CS..Hα-helixtrans-66.4-41.8178.2-176.1-95000111.8Q238 C241 E242 L270 S274 N278 M279 L280Q238-Y276 HydrophobicContact CB-CD1 4.45Å; Q238-Y276 HydrophobicContact CB-CE1 4.32Å; Q238-Y276 HydrophobicContact CG-CD1 3.78Å; Q238-Y276 HydrophobicContact CG-CD2 4.19Å; Q238-Y276 HydrophobicContact CG-CE1 3.7Å; Q238-Y276 HydrophobicContact CG-CE2 4.12Å; Q238-Y276 HydrophobicContact CG-CG 4.05Å; C241-Y276 HydrophobicContact CB-CE1 4.2Å; C241-Y276 WeakPolarHBondContact CB-OH 3.49Å; E242-Y276 HydrophobicContact CG-CE2 3.68Å; E242-Y276 VanDerWaalsContact CG-OH 3.28Å; E242-Y276 WeakPolarHBondContact CG-OH 3.38Å; E242-Y276 PolarHBondContact N-OH 3Å; L270-Y276 HydrophobicContact CD1-CD1 4Å; L270-Y276 HydrophobicContact CD1-CE1 3.94Å; S274-Y276 PolarHBondContact O-N 3.06Å; S274-Y276 PolarHBondContact OG-N 2.73Å; Y276-N278 PolarHBondContact O-N 3.07Å; Y276-M279 HydrophobicContact CD2-CE 3.35Å; Y276-M279 HydrophobicContact CE2-CE 3.43Å; Y276-M279 VanDerWaalsContact CE2-CE 3.43Å; Y276-M279 HydrophobicContact CG-CE 4.37Å; Y276-M279 PolarHBondContact O-N 2.93Å; Y276-L280 HydrophobicContact CE1-CB 4.49Å; Y276-L280 HydrophobicContact CE1-CD2 4.15Å; Y276-L280 WeakPolarHBondContact O-CB 3.34Å; Y276-L280 PolarHBondContact O-N 3.07Å
277Y93.6Very high92.8Very high17 Ų1755 Ų557%0.06728%0.282CS..Hα-helixtrans-56.3-51.5175.3175.9-89.1000110.3L267 L270 P271 K272 S274 M279 L280 L281 R313L267-Y277 HydrophobicContact CB-CE2 4.27Å; L267-Y277 HydrophobicContact CD2-CD2 3.48Å; L267-Y277 VanDerWaalsContact CD2-CD2 3.48Å; L267-Y277 HydrophobicContact CD2-CE2 3.58Å; L267-Y277 HydrophobicContact CD2-CG 4.25Å; L270-Y277 HydrophobicContact CB-CD2 4.17Å; P271-Y277 WeakPolarHBondContact O-CB 3.29Å; K272-Y277 HydrophobicContact CG-CE2 4.38Å; K272-Y277 WeakPolarHBondContact O-CD1 3.49Å; S274-Y277 WeakPolarHBondContact O-CB 3.47Å; S274-Y277 PolarHBondContact O-N 3.18Å; Y277-M279 PolarHBondContact O-N 2.73Å; Y277-L280 PolarHBondContact O-N 3.41Å; Y277-L281 HydrophobicContact CD1-CD1 3.91Å; Y277-L281 HydrophobicContact CD1-CG 4.39Å; Y277-L281 HydrophobicContact CE1-CD1 3.33Å; Y277-L281 HydrophobicContact CE1-CG 4.06Å; Y277-L281 WeakPolarHBondContact O-CG 3.1Å; Y277-L281 PolarHBondContact O-N 2.73Å; Y277-R313 PolarHBondContact OH-NE 2.85Å
278N92.9Very high92.9Very high72 Ų7255 Ų5539%0.38528%0.282SS..Hα-helixtrans-64.6-36.8178.6-72.4-70.2000113.2S274 D275 Y276 K282S274-N278 PolarHBondContact O-N 2.9Å; S274-N278 PolarHBondContact O-ND2 3.39Å; D275-N278 PolarHBondContact O-N 2.81Å; Y276-N278 PolarHBondContact O-N 3.07Å; N278-K282 WeakPolarHBondContact O-CG 3.24Å; N278-K282 PolarHBondContact O-N 3.03Å
279M93.9Very high93.2Very high76 Ų7654.8 Ų54.837%0.37428%0.283SS..Hα-helixtrans-63.6-43.4173.8-177.3-175.163.200111.2D275 Y276 Y277 K282 K283D275-M279 WeakPolarHBondContact O-CB 3.42Å; D275-M279 PolarHBondContact O-N 2.82Å; Y276-M279 HydrophobicContact CD2-CE 3.35Å; Y276-M279 HydrophobicContact CE2-CE 3.43Å; Y276-M279 VanDerWaalsContact CE2-CE 3.43Å; Y276-M279 HydrophobicContact CG-CE 4.37Å; Y276-M279 PolarHBondContact O-N 2.93Å; Y277-M279 PolarHBondContact O-N 2.73Å; M279-K282 PolarHBondContact O-N 2.9Å; M279-K283 HydrophobicContact CG-CD 4.42Å; M279-K283 WeakPolarHBondContact O-CG 3.38Å; M279-K283 PolarHBondContact O-N 2.93Å
280L94.8Very high93.4Very high0 Ų057.8 Ų57.80%030%0.302CS..Hα-helixtrans-65.8-41.8-179.3-175.856000111.7C241 L263 L267 L270 Y276 Y277 K282 K283 L284C241-L280 HydrophobicContact CB-CD2 4.14Å; L263-L280 HydrophobicContact CD1-CD1 4.24Å; L263-L280 HydrophobicContact CD2-CD1 4.21Å; L263-L280 HydrophobicContact CD2-CD2 4.3Å; L267-L280 HydrophobicContact CD1-CD2 4.44Å; L267-L280 HydrophobicContact CD2-CB 4.28Å; L267-L280 HydrophobicContact CD2-CD2 3.73Å; L267-L280 HydrophobicContact CD2-CG 4.12Å; L267-L280 HydrophobicContact CG-CD2 3.87Å; L267-L280 HydrophobicContact CG-CG 4.41Å; L270-L280 HydrophobicContact CD1-CD2 4.2Å; Y276-L280 HydrophobicContact CE1-CB 4.49Å; Y276-L280 HydrophobicContact CE1-CD2 4.15Å; Y276-L280 WeakPolarHBondContact O-CB 3.34Å; Y276-L280 PolarHBondContact O-N 3.07Å; Y277-L280 PolarHBondContact O-N 3.41Å; L280-K282 VanDerWaalsContact C-N 3.31Å; L280-K282 PolarHBondContact O-N 3.13Å; L280-K283 PolarHBondContact O-N 3.34Å; L280-K283 VanDerWaalsContact O-N 3.09Å; L280-L284 PolarHBondContact O-N 3.24Å
281L94.6Very high93.5Very high9 Ų958 Ų585%0.04730%0.303CS..Hα-helixtrans-56.3-44.6173-67.2-179.8000112.2L267 Y277 K283 L284 E315 I316L267-L281 HydrophobicContact CD1-CD2 3.81Å; L267-L281 HydrophobicContact CD2-CD2 4.24Å; Y277-L281 HydrophobicContact CD1-CD1 3.91Å; Y277-L281 HydrophobicContact CD1-CG 4.39Å; Y277-L281 HydrophobicContact CE1-CD1 3.33Å; Y277-L281 HydrophobicContact CE1-CG 4.06Å; Y277-L281 WeakPolarHBondContact O-CG 3.1Å; Y277-L281 PolarHBondContact O-N 2.73Å; L281-K283 VanDerWaalsContact C-N 3.32Å; L281-K283 PolarHBondContact O-N 2.92Å; L281-L284 PolarHBondContact O-N 2.86Å; L281-E315 HydrophobicContact CD1-CG 3.77Å; L281-I316 HydrophobicContact CB-CG1 4.36Å; L281-I316 HydrophobicContact CD2-CD1 3.97Å; L281-I316 HydrophobicContact CD2-CG1 3.77Å
282K94.3Very high93.8Very high165 Ų16555.8 Ų55.872%0.71729%0.289SS*.Hα-helixtrans-64.5-35.9176.2-70.2175.5-177.1175.70112.5N278 M279 L280 L284 A285 P286N278-K282 WeakPolarHBondContact O-CG 3.24Å; N278-K282 PolarHBondContact O-N 3.03Å; M279-K282 PolarHBondContact O-N 2.9Å; L280-K282 VanDerWaalsContact C-N 3.31Å; L280-K282 PolarHBondContact O-N 3.13Å; K282-L284 VanDerWaalsContact C-N 3.3Å; K282-L284 PolarHBondContact O-N 3.06Å; K282-A285 PolarHBondContact O-N 2.66Å; K282-P286 WeakPolarHBondContact O-CD 3.41Å
283K95Very high94Very high90 Ų9053.8 Ų53.839%0.39129%0.293SS..Hα-helixtrans-70.4-23.9178-75-177.2179.6179.90113.4T245 M279 L280 L281 A285 P287T245-K283 HydrophobicContact CG2-CD 3.91Å; M279-K283 HydrophobicContact CG-CD 4.42Å; M279-K283 WeakPolarHBondContact O-CG 3.38Å; M279-K283 PolarHBondContact O-N 2.93Å; L280-K283 PolarHBondContact O-N 3.34Å; L280-K283 VanDerWaalsContact O-N 3.09Å; L281-K283 VanDerWaalsContact C-N 3.32Å; L281-K283 PolarHBondContact O-N 2.92Å; K283-A285 VanDerWaalsContact C-N 3.34Å; K283-P287 WeakPolarHBondContact O-CD 3.47Å; K283-P287 WeakPolarHBondContact O-CG 3.31Å
284L96.8Very high94.2Very high1 Ų147.5 Ų47.51%0.00527%0.266CS..Hα-helixtrans-74-22.7177.2-74.4171.9000113.2L248 V260 L263 M264 L267 L280 L281 K282 P287 L288 I316L248-L284 HydrophobicContact CD1-CD2 4.04Å; L248-L284 HydrophobicContact CD2-CD2 4.05Å; V260-L284 HydrophobicContact CG2-CD2 4.16Å; L263-L284 HydrophobicContact CB-CD2 4.24Å; L263-L284 HydrophobicContact CD1-CD2 3.86Å; M264-L284 HydrophobicContact SD-CD1 4.17Å; L267-L284 HydrophobicContact CD1-CD1 3.69Å; L280-L284 PolarHBondContact O-N 3.24Å; L281-L284 PolarHBondContact O-N 2.86Å; K282-L284 VanDerWaalsContact C-N 3.3Å; K282-L284 PolarHBondContact O-N 3.06Å; L284-P287 WeakPolarHBondContact O-CD 3.11Å; L284-L288 WeakPolarHBondContact O-CD1 3.49Å; L284-L288 VanDerWaalsContact O-CG 3.25Å; L284-L288 WeakPolarHBondContact O-CG 3.48Å; L284-L288 PolarHBondContact O-N 3.24Å; L284-I316 HydrophobicContact CB-CG2 3.87Å; L284-I316 HydrophobicContact CD1-CD1 4.02Å
285A96.1Very high94.4Very high8 Ų852.1 Ų52.17%0.06628%0.283CS..Hα-helixtrans-68.5-52.5-174.600000114.1K282 K283 L288 V289 I316 L317K282-A285 PolarHBondContact O-N 2.66Å; K283-A285 VanDerWaalsContact C-N 3.34Å; A285-L288 PolarHBondContact O-N 3.08Å; A285-V289 WeakPolarHBondContact O-CG2 3.36Å; A285-V289 PolarHBondContact O-N 2.94Å; A285-I316 HydrophobicContact CB-CG2 4.19Å; A285-I316 WeakPolarHBondContact CB-O 3.4Å; A285-L317 HydrophobicContact CB-CD2 4.23Å
286P95.8Very high94.6Very high75 Ų7546.2 Ų46.249%0.48725%0.253SS..Hα-helixtrans-59.7-41.7-177.2-2031.3000114.7K282 V289 T290K282-P286 WeakPolarHBondContact O-CD 3.41Å; P286-V289 PolarHBondContact O-N 2.7Å; P286-T290 WeakPolarHBondContact O-CB 3.36Å; P286-T290 PolarHBondContact O-N 3.46Å; P286-T290 PolarHBondContact O-OG1 3.35Å
287P96.3Very high94.7Very high14 Ų1450 Ų509%0.09127%0.271CS..Hα-helixtrans-57.9-46.6173.9-26.134.3000113.2L248 V256 K283 L284 V289 T290 L291L248-P287 HydrophobicContact CB-CB 4.15Å; L248-P287 HydrophobicContact CB-CG 3.6Å; L248-P287 HydrophobicContact CD1-CG 4.21Å; L248-P287 HydrophobicContact CD2-CB 4.35Å; L248-P287 HydrophobicContact CD2-CG 4.31Å; L248-P287 HydrophobicContact CG-CG 4.27Å; L248-P287 WeakPolarHBondContact O-CB 3.19Å; V256-P287 HydrophobicContact CG1-CB 4.02Å; K283-P287 WeakPolarHBondContact O-CD 3.47Å; K283-P287 WeakPolarHBondContact O-CG 3.31Å; L284-P287 WeakPolarHBondContact O-CD 3.11Å; P287-V289 VanDerWaalsContact C-N 3.29Å; P287-V289 PolarHBondContact O-N 2.85Å; P287-T290 WeakPolarHBondContact O-CB 3.09Å; P287-T290 PolarHBondContact O-N 3.02Å; P287-T290 VanDerWaalsContact O-N 3.08Å; P287-L291 WeakPolarHBondContact O-CG 3.43Å; P287-L291 PolarHBondContact O-N 3.49Å
288L96.4Very high94.8Very high1 Ų151.7 Ų51.71%0.00528%0.283CS..Hα-helixtrans-62.3-38.5178.4-66.7174.6000111.7V260 L284 A285 L291 I306 I309 I316 L317V260-L288 HydrophobicContact CG1-CD2 4.36Å; V260-L288 HydrophobicContact CG2-CD2 4.19Å; L284-L288 WeakPolarHBondContact O-CD1 3.49Å; L284-L288 VanDerWaalsContact O-CG 3.25Å; L284-L288 WeakPolarHBondContact O-CG 3.48Å; L284-L288 PolarHBondContact O-N 3.24Å; A285-L288 PolarHBondContact O-N 3.08Å; L288-L291 HydrophobicContact CD2-CD1 4.34Å; L288-I306 HydrophobicContact CB-CD1 4.24Å; L288-I306 HydrophobicContact CB-CG1 4.24Å; L288-I306 HydrophobicContact CD2-CG1 4.01Å; L288-I309 HydrophobicContact CD1-CD1 4.2Å; L288-I309 HydrophobicContact CD1-CG2 4.18Å; L288-I309 HydrophobicContact CD2-CD1 3.81Å; L288-I316 HydrophobicContact CD1-CG2 4.03Å; L288-L317 HydrophobicContact CB-CD2 4.41Å; L288-L317 HydrophobicContact CD1-CD1 4.1Å; L288-L317 HydrophobicContact CD1-CG 4.46Å
289V95.9Very high95Very high30 Ų3049.1 Ų49.118%0.18227%0.269CS..Hα-helixtrans-64.4-41.3172.8167.40000111.4A285 P286 P287 L291 L292 L317 E320 V323A285-V289 WeakPolarHBondContact O-CG2 3.36Å; A285-V289 PolarHBondContact O-N 2.94Å; P286-V289 PolarHBondContact O-N 2.7Å; P287-V289 VanDerWaalsContact C-N 3.29Å; P287-V289 PolarHBondContact O-N 2.85Å; V289-L291 VanDerWaalsContact C-N 3.31Å; V289-L291 PolarHBondContact O-N 3Å; V289-L292 WeakPolarHBondContact O-CB 3.41Å; V289-L292 PolarHBondContact O-N 3.05Å; V289-L292 VanDerWaalsContact O-N 3.11Å; V289-L317 HydrophobicContact CG2-CD2 4.09Å; V289-E320 HydrophobicContact CG2-CB 4.1Å; V289-E320 HydrophobicContact CG2-CG 4.04Å; V289-V323 HydrophobicContact CB-CG1 4.38Å; V289-V323 HydrophobicContact CG1-CB 4.47Å; V289-V323 HydrophobicContact CG1-CG1 3.82Å; V289-V323 HydrophobicContact CG1-CG2 3.81Å; V289-V323 HydrophobicContact CG2-CB 4.49Å; V289-V323 HydrophobicContact CG2-CG1 4.26Å; V289-V323 HydrophobicContact CG2-CG2 4.01Å
290T94.8Very high95.1Very high93 Ų9348.7 Ų48.757%0.57126%0.263SS*.Hα-helixtrans-66.1-34.9-177.9-57.50000111.6P286 P287 L292 S293P286-T290 WeakPolarHBondContact O-CB 3.36Å; P286-T290 PolarHBondContact O-N 3.46Å; P286-T290 PolarHBondContact O-OG1 3.35Å; P287-T290 WeakPolarHBondContact O-CB 3.09Å; P287-T290 PolarHBondContact O-N 3.02Å; P287-T290 VanDerWaalsContact O-N 3.08Å; T290-L292 PolarHBondContact O-N 3.27Å; T290-L292 VanDerWaalsContact O-N 3.13Å; T290-S293 VanDerWaalsContact O-CB 3.29Å; T290-S293 WeakPolarHBondContact O-CB 3.37Å; T290-S293 PolarHBondContact O-N 3.4Å; T290-S293 PolarHBondContact O-OG 3.45Å
291L94.6Very high95.3Very high8 Ų851.1 Ų51.14%0.04228%0.278CS..Hα-helixtrans-57.1-27.4174.1-69178.4000113.1V256 L257 P287 L288 V289 S293 G294 A302V256-L291 HydrophobicContact CB-CD2 4.19Å; V256-L291 HydrophobicContact CG1-CD1 4.22Å; V256-L291 HydrophobicContact CG1-CD2 4.16Å; V256-L291 HydrophobicContact CG1-CG 4.27Å; L257-L291 HydrophobicContact CD2-CD1 3.71Å; L257-L291 HydrophobicContact CG-CD1 4.05Å; P287-L291 WeakPolarHBondContact O-CG 3.43Å; P287-L291 PolarHBondContact O-N 3.49Å; L288-L291 HydrophobicContact CD2-CD1 4.34Å; V289-L291 VanDerWaalsContact C-N 3.31Å; V289-L291 PolarHBondContact O-N 3Å; L291-S293 PolarHBondContact O-N 3.07Å; L291-G294 PolarHBondContact O-N 3.28Å; L291-A302 HydrophobicContact CB-CB 3.7Å; L291-A302 HydrophobicContact CD1-CB 4.28Å
292L95.3Very high95.4Very high9 Ų950.7 Ų50.75%0.04728%0.276CS..THydrogen-bonded Turntrans-78.5-1.9178.1-56.7179.6000113.6V289 T290 Q299 A302 L303 I306 V323 F324V289-L292 WeakPolarHBondContact O-CB 3.41Å; V289-L292 PolarHBondContact O-N 3.05Å; V289-L292 VanDerWaalsContact O-N 3.11Å; T290-L292 PolarHBondContact O-N 3.27Å; T290-L292 VanDerWaalsContact O-N 3.13Å; L292-Q299 WeakPolarHBondContact O-CG 3.43Å; L292-A302 HydrophobicContact CD2-CB 4.09Å; L292-L303 HydrophobicContact CD1-CD2 4.17Å; L292-L303 HydrophobicContact CD2-CD1 4.43Å; L292-L303 HydrophobicContact CD2-CD2 3.56Å; L292-L303 HydrophobicContact CD2-CG 3.59Å; L292-I306 HydrophobicContact CD1-CD1 4.18Å; L292-I306 HydrophobicContact CD2-CD1 3.96Å; L292-I306 HydrophobicContact CG-CD1 4.13Å; L292-V323 HydrophobicContact CB-CG1 4.49Å; L292-V323 HydrophobicContact CD1-CG1 3.66Å; L292-F324 HydrophobicContact CD1-CD1 4.13Å; L292-F324 HydrophobicContact CD1-CE1 3.68Å; L292-F324 HydrophobicContact CD1-CZ 4.31Å
293S92.2Very high95.6Very high101 Ų10142.9 Ų42.971%0.70624%0.242SC*.THydrogen-bonded Turntrans-89.8-4.8174.3-54.40000113.2T290 L291T290-S293 VanDerWaalsContact O-CB 3.29Å; T290-S293 WeakPolarHBondContact O-CB 3.37Å; T290-S293 PolarHBondContact O-N 3.4Å; T290-S293 PolarHBondContact O-OG 3.45Å; L291-S293 PolarHBondContact O-N 3.07Å
294G90.8Very high95.7Very high28 Ų2840.2 Ų40.229%0.28923%0.23SC..SBendtrans-75.8-173.2178.200000114L291 Q299L291-G294 PolarHBondContact O-N 3.28Å; G294-Q299 WeakPolarHBondContact O-CG 3.32Å; G294-Q299 PolarHBondContact O-NE2 3.23Å
295E94Very high95.8Very high134 Ų13440.2 Ų40.263%0.62623%0.23SC*.  trans-64.1156.3173.1-66.1-60149.900111.7E297 V298 Q299E295-E297 PolarHBondContact O-N 3.42Å; E295-E297 VanDerWaalsContact O-N 3.11Å; E295-V298 CarbonylContact O-C 3.54Å; E295-V298 WeakPolarHBondContact O-CA 3.34Å; E295-V298 WeakPolarHBondContact O-CB 3.35Å; E295-V298 PolarHBondContact O-N 3.07Å; E295-Q299 WeakPolarHBondContact O-CG 3.23Å; E295-Q299 PolarHBondContact O-N 3.24Å
296P95.3Very high95.8Very high21 Ų2139.8 Ų39.814%0.13623%0.226CC..Hα-helixtrans-56.2-34.1-172.9-26.735.1000115Q299 Y300 P331 Y333 V334P296-Q299 PolarHBondContact O-N 3.07Å; P296-Y300 WeakPolarHBondContact O-CB 3.46Å; P296-Y300 PolarHBondContact O-N 3.14Å; P296-P331 HydrophobicContact CB-CG 3.69Å; P296-P331 HydrophobicContact CG-CG 4.4Å; P296-Y333 WeakPolarHBondContact CB-OH 3.44Å; P296-V334 HydrophobicContact CB-CG2 4.41Å
297E95.8Very high95.8Very high97 Ų9736.4 Ų36.445%0.45320%0.204SC..Hα-helixtrans-67.1-39.1176.2-60.374.5-162.900111E295 V301 K759E295-E297 PolarHBondContact O-N 3.42Å; E295-E297 VanDerWaalsContact O-N 3.11Å; E297-V301 WeakPolarHBondContact O-CG2 3.44Å; E297-V301 PolarHBondContact O-N 3.06Å; E297-V301 VanDerWaalsContact O-N 3.16Å; E297-K759 IonicContact OE1-NZ 2.85Å; E297-K759 PolarHBondContact OE1-NZ 3.45Å; E297-K759 VanDerWaalsContact OE1-NZ 3.07Å
298V95.2Very high95.8Very high54 Ų5435.8 Ų35.833%0.32720%0.2SC..Hα-helixtrans-69.4-43.4173.6-179.60000110.7E295 Y300 V301 A302E295-V298 CarbonylContact O-C 3.54Å; E295-V298 WeakPolarHBondContact O-CA 3.34Å; E295-V298 WeakPolarHBondContact O-CB 3.35Å; E295-V298 PolarHBondContact O-N 3.07Å; V298-Y300 VanDerWaalsContact C-N 3.29Å; V298-Y300 PolarHBondContact O-N 2.87Å; V298-V301 PolarHBondContact O-N 3.26Å; V298-A302 WeakPolarHBondContact O-CB 3.42Å; V298-A302 PolarHBondContact O-N 3.17Å
299Q96.4Very high95.8Very high17 Ų1735.7 Ų35.78%0.07920%0.2CC..Hα-helixtrans-58.1-44.1175.4-66.4-177.936.200110.9L292 G294 E295 P296 A302 L303 V334L292-Q299 WeakPolarHBondContact O-CG 3.43Å; G294-Q299 WeakPolarHBondContact O-CG 3.32Å; G294-Q299 PolarHBondContact O-NE2 3.23Å; E295-Q299 WeakPolarHBondContact O-CG 3.23Å; E295-Q299 PolarHBondContact O-N 3.24Å; P296-Q299 PolarHBondContact O-N 3.07Å; Q299-A302 PolarHBondContact O-N 3.45Å; Q299-L303 WeakPolarHBondContact O-CB 3.31Å; Q299-L303 WeakPolarHBondContact O-CG 3.14Å; Q299-L303 PolarHBondContact O-N 2.81Å; Q299-V334 HydrophobicContact CB-CG2 4.39Å
300Y97.8Very high95.7Very high67 Ų6734.4 Ų34.426%0.26319%0.192SC..Hα-helixtrans-60.7-50.3178.1179.3-107.9000111.7P296 V298 A302 L303 R304 Y333 E337 V573P296-Y300 WeakPolarHBondContact O-CB 3.46Å; P296-Y300 PolarHBondContact O-N 3.14Å; V298-Y300 VanDerWaalsContact C-N 3.29Å; V298-Y300 PolarHBondContact O-N 2.87Å; Y300-A302 VanDerWaalsContact C-N 3.28Å; Y300-A302 PolarHBondContact O-N 3.17Å; Y300-L303 PolarHBondContact O-N 3.43Å; Y300-R304 HydrophobicContact CD1-CG 4.33Å; Y300-R304 HydrophobicContact CD2-CG 4.28Å; Y300-R304 HydrophobicContact CE1-CG 4.01Å; Y300-R304 HydrophobicContact CE2-CG 3.97Å; Y300-R304 HydrophobicContact CG-CG 4.47Å; Y300-R304 WeakPolarHBondContact O-CG 3.4Å; Y300-R304 PolarHBondContact O-N 3.44Å; Y300-Y333 AromaticContact CD2-CD2 3.59Å; Y300-Y333 HydrophobicContact CD2-CD2 3.59Å; Y300-Y333 HydrophobicContact CD2-CE2 4.4Å; Y300-Y333 HydrophobicContact CD2-CG 4.47Å; Y300-Y333 HydrophobicContact CE2-CD2 4.3Å; Y300-Y333 AromaticContact CG-CD2 3.76Å; Y300-Y333 HydrophobicContact CG-CD2 3.76Å; Y300-Y333 HydrophobicContact CG-CE2 4.15Å; Y300-E337 HydrophobicContact CD2-CG 3.96Å; Y300-E337 HydrophobicContact CE2-CG 3.67Å; Y300-V573 HydrophobicContact CE1-CG1 4.2Å
301V97.4Very high95.6Very high51 Ų5131.7 Ų31.731%0.30917%0.173SC..Hα-helixtrans-58-43176.1173.80000111L257 E297 V298 N305 V573L257-V301 HydrophobicContact CD1-CG1 4.26Å; E297-V301 WeakPolarHBondContact O-CG2 3.44Å; E297-V301 PolarHBondContact O-N 3.06Å; E297-V301 VanDerWaalsContact O-N 3.16Å; V298-V301 PolarHBondContact O-N 3.26Å; V301-N305 PolarHBondContact O-N 3.29Å; V301-N305 PolarHBondContact O-ND2 2.89Å; V301-V573 HydrophobicContact CG1-CG2 3.95Å; V301-V573 HydrophobicContact CG2-CG2 4.34Å
302A97.7Very high95.5Very high1 Ų134.1 Ų34.11%0.00818%0.183CC..Hα-helixtrans-62.9-46.3176.800000112.2L291 L292 V298 Q299 Y300 R304 N305 I306L291-A302 HydrophobicContact CB-CB 3.7Å; L291-A302 HydrophobicContact CD1-CB 4.28Å; L292-A302 HydrophobicContact CD2-CB 4.09Å; V298-A302 WeakPolarHBondContact O-CB 3.42Å; V298-A302 PolarHBondContact O-N 3.17Å; Q299-A302 PolarHBondContact O-N 3.45Å; Y300-A302 VanDerWaalsContact C-N 3.28Å; Y300-A302 PolarHBondContact O-N 3.17Å; A302-R304 PolarHBondContact O-N 2.68Å; A302-N305 PolarHBondContact O-N 3.13Å; A302-I306 WeakPolarHBondContact O-CB 3.37Å; A302-I306 VanDerWaalsContact O-CG1 3.22Å; A302-I306 WeakPolarHBondContact O-CG1 3.43Å; A302-I306 PolarHBondContact O-N 3.27Å
303L98.3Very high95.4Very high0 Ų034 Ų340%018%0.182CC..Hα-helixtrans-62-43.9178.7-71.5164.4000111.4L292 Q299 Y300 N305 I306 N307 F324 V334 E337 K338 I341L292-L303 HydrophobicContact CD1-CD2 4.17Å; L292-L303 HydrophobicContact CD2-CD1 4.43Å; L292-L303 HydrophobicContact CD2-CD2 3.56Å; L292-L303 HydrophobicContact CD2-CG 3.59Å; Q299-L303 WeakPolarHBondContact O-CB 3.31Å; Q299-L303 WeakPolarHBondContact O-CG 3.14Å; Q299-L303 PolarHBondContact O-N 2.81Å; Y300-L303 PolarHBondContact O-N 3.43Å; L303-N305 VanDerWaalsContact C-N 3.26Å; L303-N305 PolarHBondContact O-N 2.99Å; L303-I306 PolarHBondContact O-N 2.87Å; L303-N307 WeakPolarHBondContact O-CB 3.43Å; L303-N307 PolarHBondContact O-N 2.81Å; L303-F324 HydrophobicContact CD2-CD1 4.01Å; L303-F324 HydrophobicContact CD2-CE1 4.1Å; L303-V334 HydrophobicContact CD1-CB 4.48Å; L303-V334 HydrophobicContact CD1-CG1 3.81Å; L303-E337 HydrophobicContact CB-CB 3.92Å; L303-E337 HydrophobicContact CD1-CB 4.12Å; L303-K338 HydrophobicContact CD1-CG 3.96Å; L303-K338 HydrophobicContact CD2-CG 4Å; L303-I341 HydrophobicContact CB-CD1 4.1Å; L303-I341 HydrophobicContact CD2-CD1 3.57Å; L303-I341 HydrophobicContact CG-CD1 4.45Å
304R97.5Very high95.4Very high35 Ų3531.9 Ų31.913%0.13217%0.166CC..Hα-helixtrans-59.4-39.2177.1-63.7-71.6-75.41587.2111.7Y300 A302 E337 V573 H575Y300-R304 HydrophobicContact CD1-CG 4.33Å; Y300-R304 HydrophobicContact CD2-CG 4.28Å; Y300-R304 HydrophobicContact CE1-CG 4.01Å; Y300-R304 HydrophobicContact CE2-CG 3.97Å; Y300-R304 HydrophobicContact CG-CG 4.47Å; Y300-R304 WeakPolarHBondContact O-CG 3.4Å; Y300-R304 PolarHBondContact O-N 3.44Å; A302-R304 PolarHBondContact O-N 2.68Å; R304-E337 WeakPolarHBondContact CD-OE1 3.47Å; R304-E337 WeakPolarHBondContact CD-OE2 3.23Å; R304-E337 IonicContact CZ-OE1 2.94Å; R304-E337 IonicContact NE-OE1 2.63Å; R304-E337 IonicContact NH1-OE1 2.75Å; R304-E337 PolarHBondContact NH1-OE1 2.91Å; R304-E337 IonicContact NH1-OE2 2.81Å; R304-V573 HydrophobicContact CG-CG1 4.38Å; R304-V573 PolarHBondContact NE-O 2.7Å; R304-V573 PolarHBondContact NH2-O 2.9Å; R304-H575 VanDerWaalsContact CZ-ND1 3.33Å; R304-H575 PolarHBondContact NH1-CE1 3.22Å; R304-H575 PolarHBondContact NH1-ND1 3.13Å; R304-H575 VanDerWaalsContact NH1-ND1 3.16Å; R304-H575 PolarHBondContact NH2-ND1 3.1Å; R304-H575 VanDerWaalsContact NH2-ND1 3.2Å; R304-H575 PolarHBondContact O-NE2 3.38Å
305N97.5Very high95.5Very high0 Ų034.1 Ų34.10%017%0.168CC..Hα-helixtrans-73-42.8174.9-79.6-88.8000112.4L257 V301 A302 L303 N307 L308 I309 I567 G568 S572L257-N305 HydrophobicContact CD2-CB 4.11Å; V301-N305 PolarHBondContact O-N 3.29Å; V301-N305 PolarHBondContact O-ND2 2.89Å; A302-N305 PolarHBondContact O-N 3.13Å; L303-N305 VanDerWaalsContact C-N 3.26Å; L303-N305 PolarHBondContact O-N 2.99Å; N305-N307 PolarHBondContact O-N 2.82Å; N305-L308 WeakPolarHBondContact O-CB 3.41Å; N305-L308 PolarHBondContact O-N 3.04Å; N305-I309 WeakPolarHBondContact O-CG1 3.49Å; N305-I309 PolarHBondContact O-N 2.75Å; N305-I567 WeakPolarHBondContact OD1-CA 3.28Å; N305-I567 WeakPolarHBondContact OD1-CG2 3.37Å; N305-G568 PolarHBondContact OD1-N 3.28Å; N305-S572 PolarHBondContact ND2-OG 3.34Å; N305-S572 WeakPolarHBondContact OD1-CB 3.29Å; N305-S572 PolarHBondContact OD1-OG 2.93Å
306I97.6Very high95.5Very high0 Ų028.1 Ų28.10%014%0.141CC..Hα-helixtrans-58.8-38.3175.3-73.7164.2000110.7L288 L292 A302 L303 L308 I309 V310 L317 F324 I341L288-I306 HydrophobicContact CB-CD1 4.24Å; L288-I306 HydrophobicContact CB-CG1 4.24Å; L288-I306 HydrophobicContact CD2-CG1 4.01Å; L292-I306 HydrophobicContact CD1-CD1 4.18Å; L292-I306 HydrophobicContact CD2-CD1 3.96Å; L292-I306 HydrophobicContact CG-CD1 4.13Å; A302-I306 WeakPolarHBondContact O-CB 3.37Å; A302-I306 VanDerWaalsContact O-CG1 3.22Å; A302-I306 WeakPolarHBondContact O-CG1 3.43Å; A302-I306 PolarHBondContact O-N 3.27Å; L303-I306 PolarHBondContact O-N 2.87Å; I306-L308 VanDerWaalsContact C-N 3.33Å; I306-L308 PolarHBondContact O-N 2.69Å; I306-I309 PolarHBondContact O-N 2.9Å; I306-I309 VanDerWaalsContact O-N 3.15Å; I306-V310 HydrophobicContact CG2-CG2 3.92Å; I306-V310 WeakPolarHBondContact O-CB 3.33Å; I306-V310 WeakPolarHBondContact O-CG2 3.47Å; I306-V310 PolarHBondContact O-N 2.97Å; I306-L317 HydrophobicContact CG2-CD1 3.5Å; I306-F324 HydrophobicContact CG2-CE1 3.99Å; I306-F324 HydrophobicContact CG2-CZ 4.06Å; I306-I341 HydrophobicContact CB-CD1 4.31Å; I306-I341 HydrophobicContact CG2-CD1 3.93Å; I306-I341 HydrophobicContact CG2-CG2 4.47Å
307N94.9Very high95.5Very high4 Ų427.1 Ų27.12%0.02113%0.134CC..Hα-helixtrans-57.3-45.5177.1-168.3-26.9000111.2L303 N305 Q311 E337 I341 R344L303-N307 WeakPolarHBondContact O-CB 3.43Å; L303-N307 PolarHBondContact O-N 2.81Å; N305-N307 PolarHBondContact O-N 2.82Å; N307-Q311 WeakPolarHBondContact O-CG 3.42Å; N307-Q311 PolarHBondContact O-N 3.32Å; N307-Q311 PolarHBondContact OD1-NE2 2.96Å; N307-E337 PolarHBondContact ND2-OE2 2.88Å; N307-I341 HydrophobicContact CB-CD1 4.38Å; N307-I341 HydrophobicContact CB-CG1 4.15Å; N307-R344 PolarHBondContact OD1-NE 3.45Å
308L95.7Very high95.2Very high0 Ų028.4 Ų28.40%014%0.138CC..Hα-helixtrans-62.9-46.1173.8-60.1175.4000111.8N305 I306 V310 Q311 K312 I555 L560 L563 I564N305-L308 WeakPolarHBondContact O-CB 3.41Å; N305-L308 PolarHBondContact O-N 3.04Å; I306-L308 VanDerWaalsContact C-N 3.33Å; I306-L308 PolarHBondContact O-N 2.69Å; L308-V310 VanDerWaalsContact C-N 3.35Å; L308-V310 PolarHBondContact O-N 3.25Å; L308-Q311 PolarHBondContact O-N 2.85Å; L308-K312 PolarHBondContact O-N 2.98Å; L308-K312 VanDerWaalsContact O-N 3.09Å; L308-I555 HydrophobicContact CD2-CD1 3.43Å; L308-I555 VanDerWaalsContact CD2-CD1 3.43Å; L308-L560 HydrophobicContact CB-CD1 4.17Å; L308-L560 HydrophobicContact CD2-CD1 3.89Å; L308-L563 HydrophobicContact CD1-CB 3.91Å; L308-L563 HydrophobicContact CD2-CB 4.22Å; L308-L563 HydrophobicContact CD2-CD1 3.95Å; L308-I564 HydrophobicContact CB-CD1 3.99Å
309I96Very high94.9Very high0 Ų033.6 Ų33.60%016%0.159CC..Hα-helixtrans-61.2-44.2-179.2-66.1164.8000111V260 M264 L288 N305 I306 K312 R313 I316 I567V260-I309 HydrophobicContact CG1-CD1 3.64Å; M264-I309 HydrophobicContact CE-CB 4.37Å; M264-I309 HydrophobicContact CE-CG1 4.26Å; M264-I309 HydrophobicContact CE-CG2 3.97Å; M264-I309 HydrophobicContact CG-CG1 4.5Å; M264-I309 HydrophobicContact SD-CG2 4.08Å; L288-I309 HydrophobicContact CD1-CD1 4.2Å; L288-I309 HydrophobicContact CD1-CG2 4.18Å; L288-I309 HydrophobicContact CD2-CD1 3.81Å; N305-I309 WeakPolarHBondContact O-CG1 3.49Å; N305-I309 PolarHBondContact O-N 2.75Å; I306-I309 PolarHBondContact O-N 2.9Å; I306-I309 VanDerWaalsContact O-N 3.15Å; I309-K312 PolarHBondContact O-N 2.83Å; I309-R313 PolarHBondContact O-N 3.06Å; I309-I316 HydrophobicContact CG2-CD1 3.77Å; I309-I567 HydrophobicContact CD1-CD1 4.25Å; I309-I567 HydrophobicContact CG1-CD1 3.94Å
310V94.2Very high94.7Very high3 Ų336.2 Ų36.22%0.01817%0.171CC..Hα-helixtrans-68.7-34.5179.5168.60000111.7I306 L308 K312 P314 L317 R344 L345I306-V310 HydrophobicContact CG2-CG2 3.92Å; I306-V310 WeakPolarHBondContact O-CB 3.33Å; I306-V310 WeakPolarHBondContact O-CG2 3.47Å; I306-V310 PolarHBondContact O-N 2.97Å; L308-V310 VanDerWaalsContact C-N 3.35Å; L308-V310 PolarHBondContact O-N 3.25Å; V310-K312 VanDerWaalsContact C-N 3.31Å; V310-P314 HydrophobicContact CG1-CB 4.41Å; V310-P314 WeakPolarHBondContact O-CA 3.45Å; V310-P314 WeakPolarHBondContact O-CB 3.48Å; V310-P314 VanDerWaalsContact O-CD 3.3Å; V310-P314 WeakPolarHBondContact O-CD 3.29Å; V310-P314 VanDerWaalsContact O-N 3.16Å; V310-L317 HydrophobicContact CG2-CB 4.28Å; V310-L317 HydrophobicContact CG2-CD1 3.68Å; V310-R344 HydrophobicContact CG1-CB 4.08Å; V310-L345 HydrophobicContact CG1-CD2 3.53Å; V310-L345 HydrophobicContact CG1-CG 3.9Å; V310-L345 HydrophobicContact CG2-CD2 4.18Å
311Q92.7Very high94.5Very high36 Ų3633.3 Ų33.317%0.16816%0.16CC..Hα-helixtrans-64.7-36.3172.9-75.8-17570.700111.9N307 L308 L560N307-Q311 WeakPolarHBondContact O-CG 3.42Å; N307-Q311 PolarHBondContact O-N 3.32Å; N307-Q311 PolarHBondContact OD1-NE2 2.96Å; L308-Q311 PolarHBondContact O-N 2.85Å; Q311-L560 HydrophobicContact CB-CD1 4.2Å; Q311-L560 HydrophobicContact CB-CD2 3.87Å
312K93.4Very high94.3Very high58 Ų5837.3 Ų37.325%0.25217%0.173SC..Hα-helixtrans-80.4-43178.1-172.766.9178.1-172.10113.1M264 E268 L308 I309 V310 L560 D561 I564M264-K312 HydrophobicContact CE-CB 4.37Å; M264-K312 HydrophobicContact CE-CG 4.38Å; E268-K312 WeakPolarHBondContact OE1-CE 3.46Å; E268-K312 IonicContact OE1-NZ 3.37Å; L308-K312 PolarHBondContact O-N 2.98Å; L308-K312 VanDerWaalsContact O-N 3.09Å; I309-K312 PolarHBondContact O-N 2.83Å; V310-K312 VanDerWaalsContact C-N 3.31Å; K312-L560 HydrophobicContact CB-CD2 4.19Å; K312-L560 HydrophobicContact CD-CD2 4.44Å; K312-D561 WeakPolarHBondContact CE-OD1 3.28Å; K312-D561 IonicContact NZ-OD1 3.77Å; K312-D561 PolarHBondContact NZ-OD1 2.63Å; K312-D561 IonicContact NZ-OD2 2.77Å; K312-I564 HydrophobicContact CB-CD1 4.27Å; K312-I564 HydrophobicContact CB-CG1 4.46Å
313R93.7Very high94.2Very high7 Ų739.2 Ų39.23%0.02619%0.185CC..  trans-142.877.1-174-62.3-164.7-171.8110.72111.3M264 L267 E268 Y277 I309 E315 I316M264-R313 HydrophobicContact CE-CG 4.48Å; M264-R313 PolarHBondContact O-NH1 3.04Å; M264-R313 VanDerWaalsContact O-NH1 3.07Å; M264-R313 PolarHBondContact O-NH2 3.44Å; M264-R313 PolarHBondContact SD-NH1 2.98Å; L267-R313 VanDerWaalsContact CB-NH1 3.26Å; L267-R313 VanDerWaalsContact CB-NH2 3.27Å; E268-R313 IonicContact OE1-CZ 3.97Å; E268-R313 IonicContact OE1-NH2 3.47Å; E268-R313 PolarHBondContact OE1-NH2 3.13Å; Y277-R313 PolarHBondContact OH-NE 2.85Å; I309-R313 PolarHBondContact O-N 3.06Å; R313-E315 PolarHBondContact O-N 2.88Å; R313-E315 VanDerWaalsContact O-N 3.15Å; R313-I316 HydrophobicContact CB-CD1 3.77Å; R313-I316 HydrophobicContact CB-CG1 4.05Å; R313-I316 PolarHBondContact O-N 2.83Å
314P91.6Very high94.1Very high57 Ų5739.2 Ų39.237%0.3719%0.185SC..G310 helixtrans-62.4-22.5-178.725.5-33.9000112.8V310 I316 L317 K318V310-P314 HydrophobicContact CG1-CB 4.41Å; V310-P314 WeakPolarHBondContact O-CA 3.45Å; V310-P314 WeakPolarHBondContact O-CB 3.48Å; V310-P314 VanDerWaalsContact O-CD 3.3Å; V310-P314 WeakPolarHBondContact O-CD 3.29Å; V310-P314 VanDerWaalsContact O-N 3.16Å; P314-I316 PolarHBondContact O-N 2.93Å; P314-L317 PolarHBondContact O-N 3.18Å; P314-K318 PolarHBondContact O-N 2.97Å
315E91.7Very high94.1Very high74 Ų7439 Ų3935%0.34619%0.185SC..G310 helixtrans-63.5-19.5179.964.6-86.5-169.800114.9L281 R313 K318L281-E315 HydrophobicContact CD1-CG 3.77Å; R313-E315 PolarHBondContact O-N 2.88Å; R313-E315 VanDerWaalsContact O-N 3.15Å; E315-K318 HydrophobicContact CB-CD 4.33Å
316I95.5Very high93.9Very high9 Ų939.8 Ų39.85%0.04619%0.19CC..G310 helixtrans-63.8-45.2177.6-62.3173.9000110.2M264 L281 L284 A285 L288 I309 R313 P314M264-I316 HydrophobicContact SD-CD1 3.95Å; L281-I316 HydrophobicContact CB-CG1 4.36Å; L281-I316 HydrophobicContact CD2-CD1 3.97Å; L281-I316 HydrophobicContact CD2-CG1 3.77Å; L284-I316 HydrophobicContact CB-CG2 3.87Å; L284-I316 HydrophobicContact CD1-CD1 4.02Å; A285-I316 HydrophobicContact CB-CG2 4.19Å; A285-I316 WeakPolarHBondContact CB-O 3.4Å; L288-I316 HydrophobicContact CD1-CG2 4.03Å; I309-I316 HydrophobicContact CG2-CD1 3.77Å; R313-I316 HydrophobicContact CB-CD1 3.77Å; R313-I316 HydrophobicContact CB-CG1 4.05Å; R313-I316 PolarHBondContact O-N 2.83Å; P314-I316 PolarHBondContact O-N 2.93Å
317L95.3Very high93.7Very high0 Ų045.1 Ų45.10%021%0.213CC..THydrogen-bonded Turntrans-112.19.4-172.4-71.4165.2000113.9A285 L288 V289 I306 V310 P314 Q319 E320 F324 L345A285-L317 HydrophobicContact CB-CD2 4.23Å; L288-L317 HydrophobicContact CB-CD2 4.41Å; L288-L317 HydrophobicContact CD1-CD1 4.1Å; L288-L317 HydrophobicContact CD1-CG 4.46Å; V289-L317 HydrophobicContact CG2-CD2 4.09Å; I306-L317 HydrophobicContact CG2-CD1 3.5Å; V310-L317 HydrophobicContact CG2-CB 4.28Å; V310-L317 HydrophobicContact CG2-CD1 3.68Å; P314-L317 PolarHBondContact O-N 3.18Å; L317-Q319 PolarHBondContact O-N 3.41Å; L317-E320 HydrophobicContact CD2-CB 4.1Å; L317-E320 HydrophobicContact CD2-CG 4.26Å; L317-E320 PolarHBondContact O-N 3.26Å; L317-F324 HydrophobicContact CB-CE2 4.45Å; L317-F324 HydrophobicContact CD1-CZ 3.91Å; L317-F324 HydrophobicContact CD2-CZ 4.43Å; L317-L345 HydrophobicContact CB-CD1 4.03Å; L317-L345 HydrophobicContact CB-CD2 4.31Å
318K88.4Confident93.3Very high124 Ų12452.1 Ų52.154%0.53924%0.24SC..THydrogen-bonded Turntrans-54.6-29-176.773.7-176174.6-175.30114.9P314 E315P314-K318 PolarHBondContact O-N 2.97Å; E315-K318 HydrophobicContact CB-CD 4.33Å
319Q89.3Confident92.9Very high162 Ų16256.9 Ų56.976%0.75727%0.266SS*.THydrogen-bonded Turntrans-94.1-11.6-178.5-61.9-173.6-31.800113.2L317L317-Q319 PolarHBondContact O-N 3.41Å
320E91.8Very high92.8Very high72 Ų7257.4 Ų57.434%0.33627%0.269SS..  trans-101.727-169.6-60-59.2157.500112.9V289 L317 K322 V323 F324V289-E320 HydrophobicContact CG2-CB 4.1Å; V289-E320 HydrophobicContact CG2-CG 4.04Å; L317-E320 HydrophobicContact CD2-CB 4.1Å; L317-E320 HydrophobicContact CD2-CG 4.26Å; L317-E320 PolarHBondContact O-N 3.26Å; E320-K322 PolarHBondContact O-N 3.48Å; E320-K322 VanDerWaalsContact O-N 3.13Å; E320-V323 HydrophobicContact CB-CG2 4.22Å; E320-V323 WeakPolarHBondContact O-CB 3.3Å; E320-V323 PolarHBondContact O-N 3.12Å; E320-V323 VanDerWaalsContact O-N 3.1Å; E320-F324 WeakPolarHBondContact O-CD2 3.49Å
321I94Very high92.9Very high6 Ų658.9 Ų58.93%0.03128%0.278CS..G310 helixtrans-55.8-36.1-173.6-169.661.6000113.2V323 F324 F325 M342 L345 N350 V354I321-V323 PolarHBondContact O-N 3.35Å; I321-F324 PolarHBondContact O-N 3.37Å; I321-F324 VanDerWaalsContact O-N 3.13Å; I321-F325 HydrophobicContact CG1-CE1 4.1Å; I321-M342 HydrophobicContact CD1-CB 4.39Å; I321-M342 HydrophobicContact CD1-CG 4.25Å; I321-L345 HydrophobicContact CD1-CB 3.78Å; I321-N350 HydrophobicContact CG2-CB 4.19Å; I321-V354 HydrophobicContact CD1-CG2 4.18Å; I321-V354 HydrophobicContact CG1-CG2 3.87Å
322K94.1Very high92.9Very high135 Ų13560.5 Ų60.559%0.58729%0.287SS*.G310 helixtrans-64.1-25.1-177.3-63.4-175177.4-177.70113.3E320 F324 F325E320-K322 PolarHBondContact O-N 3.48Å; E320-K322 VanDerWaalsContact O-N 3.13Å; K322-F324 PolarHBondContact O-N 3.14Å; K322-F325 HydrophobicContact CB-CD2 4.23Å; K322-F325 HydrophobicContact CB-CE2 4.06Å; K322-F325 HydrophobicContact CB-CZ 4.47Å; K322-F325 HydrophobicContact CG-CD2 4.43Å; K322-F325 HydrophobicContact CG-CE2 3.79Å; K322-F325 HydrophobicContact CG-CZ 4.09Å; K322-F325 WeakPolarHBondContact O-CB 3.33Å; K322-F325 WeakPolarHBondContact O-CG 3.44Å; K322-F325 PolarHBondContact O-N 3.1Å
323V94Very high93Very high41 Ų4161.3 Ų61.325%0.24829%0.289CS..G310 helixtrans-67-28.6179.3-177.70000110.9V289 L292 E320 I321 F325V289-V323 HydrophobicContact CB-CG1 4.38Å; V289-V323 HydrophobicContact CG1-CB 4.47Å; V289-V323 HydrophobicContact CG1-CG1 3.82Å; V289-V323 HydrophobicContact CG1-CG2 3.81Å; V289-V323 HydrophobicContact CG2-CB 4.49Å; V289-V323 HydrophobicContact CG2-CG1 4.26Å; V289-V323 HydrophobicContact CG2-CG2 4.01Å; L292-V323 HydrophobicContact CB-CG1 4.49Å; L292-V323 HydrophobicContact CD1-CG1 3.66Å; E320-V323 HydrophobicContact CB-CG2 4.22Å; E320-V323 WeakPolarHBondContact O-CB 3.3Å; E320-V323 PolarHBondContact O-N 3.12Å; E320-V323 VanDerWaalsContact O-N 3.1Å; I321-V323 PolarHBondContact O-N 3.35Å; V323-F325 VanDerWaalsContact C-N 3.3Å
324F96.7Very high93.2Very high1 Ų161 Ų610%0.00429%0.288CS..G310 helixtrans-86.30.4179.1-56.1-75.8000113.2L292 L303 I306 L317 E320 I321 K322 V326 K338 I341 M342 L345L292-F324 HydrophobicContact CD1-CD1 4.13Å; L292-F324 HydrophobicContact CD1-CE1 3.68Å; L292-F324 HydrophobicContact CD1-CZ 4.31Å; L303-F324 HydrophobicContact CD2-CD1 4.01Å; L303-F324 HydrophobicContact CD2-CE1 4.1Å; I306-F324 HydrophobicContact CG2-CE1 3.99Å; I306-F324 HydrophobicContact CG2-CZ 4.06Å; L317-F324 HydrophobicContact CB-CE2 4.45Å; L317-F324 HydrophobicContact CD1-CZ 3.91Å; L317-F324 HydrophobicContact CD2-CZ 4.43Å; E320-F324 WeakPolarHBondContact O-CD2 3.49Å; I321-F324 PolarHBondContact O-N 3.37Å; I321-F324 VanDerWaalsContact O-N 3.13Å; K322-F324 PolarHBondContact O-N 3.14Å; F324-V326 PolarHBondContact O-N 3.21Å; F324-K338 WeakPolarHBondContact O-CB 3.13Å; F324-K338 WeakPolarHBondContact O-CD 3.06Å; F324-I341 HydrophobicContact CD1-CB 4.13Å; F324-I341 HydrophobicContact CD1-CD1 4.27Å; F324-I341 HydrophobicContact CD1-CG2 3.61Å; F324-I341 HydrophobicContact CD2-CG2 4.11Å; F324-I341 HydrophobicContact CE1-CB 4.45Å; F324-I341 HydrophobicContact CE1-CD1 4.15Å; F324-I341 HydrophobicContact CE1-CG2 3.64Å; F324-I341 HydrophobicContact CE2-CG2 4.14Å; F324-I341 HydrophobicContact CG-CG2 3.86Å; F324-I341 HydrophobicContact CZ-CG2 3.93Å; F324-M342 HydrophobicContact CB-CG 3.64Å; F324-M342 HydrophobicContact CB-SD 4.48Å; F324-L345 HydrophobicContact CD2-CD1 3.82Å; F324-L345 HydrophobicContact CE2-CD1 3.55Å; F324-L345 HydrophobicContact CZ-CD1 4.32Å
325F97.2Very high93.4Very high30 Ų3059 Ų5913%0.13227%0.273CS..SBendtrans-64.2136.8173.9-63.9-9.9000110.1I321 K322 V323 K338 M342 Q353 E357 Y361I321-F325 HydrophobicContact CG1-CE1 4.1Å; K322-F325 HydrophobicContact CB-CD2 4.23Å; K322-F325 HydrophobicContact CB-CE2 4.06Å; K322-F325 HydrophobicContact CB-CZ 4.47Å; K322-F325 HydrophobicContact CG-CD2 4.43Å; K322-F325 HydrophobicContact CG-CE2 3.79Å; K322-F325 HydrophobicContact CG-CZ 4.09Å; K322-F325 WeakPolarHBondContact O-CB 3.33Å; K322-F325 WeakPolarHBondContact O-CG 3.44Å; K322-F325 PolarHBondContact O-N 3.1Å; V323-F325 VanDerWaalsContact C-N 3.3Å; F325-K338 PolarHBondContact O-NZ 2.91Å; F325-K338 VanDerWaalsContact O-NZ 3.17Å; F325-M342 HydrophobicContact CD1-CE 3.66Å; F325-M342 HydrophobicContact CD1-SD 3.96Å; F325-M342 HydrophobicContact CE1-CE 3.8Å; F325-Q353 HydrophobicContact CZ-CB 4.31Å; F325-E357 HydrophobicContact CD1-CG 3.98Å; F325-E357 VanDerWaalsContact CD2-CD 3.47Å; F325-E357 HydrophobicContact CD2-CG 3.68Å; F325-E357 HydrophobicContact CE1-CG 3.85Å; F325-E357 HydrophobicContact CE2-CG 3.52Å; F325-E357 HydrophobicContact CG-CG 3.92Å; F325-E357 HydrophobicContact CZ-CG 3.63Å; F325-Y361 WeakPolarHBondContact CA-OH 3.49Å; F325-Y361 WeakPolarHBondContact CB-OH 3.41Å
326V95.1Very high93.6Very high17 Ų1757.8 Ų57.810%0.10327%0.269CS..PPolyproline II helixtrans-75.3130-175.2172.70000108.9F324 K335 K338 Y361 F369F324-V326 PolarHBondContact O-N 3.21Å; V326-K335 HydrophobicContact CG1-CB 3.98Å; V326-K335 HydrophobicContact CG1-CD 3.56Å; V326-K335 HydrophobicContact CG1-CG 3.5Å; V326-K335 VanDerWaalsContact CG1-CG 3.5Å; V326-K335 HydrophobicContact CG2-CB 4.28Å; V326-K338 HydrophobicContact CG2-CB 4.02Å; V326-K338 HydrophobicContact CG2-CD 4.21Å; V326-Y361 HydrophobicContact CB-CE1 4.12Å; V326-Y361 HydrophobicContact CB-CE2 4.05Å; V326-Y361 HydrophobicContact CG2-CE2 4Å; V326-Y361 PolarHBondContact N-OH 3.29Å; V326-F369 HydrophobicContact CB-CZ 4.38Å; V326-F369 HydrophobicContact CG1-CZ 4.09Å; V326-F369 HydrophobicContact CG2-CZ 4.1Å
327K92.8Very high93.6Very high111 Ų11158.1 Ų58.148%0.48327%0.27SS..PPolyproline II helixtrans-91151.4172.7-56.8174.4-177.4170.60108.9N329 D330K327-N329 VanDerWaalsContact CB-OD1 3.27Å; K327-N329 WeakPolarHBondContact CB-OD1 3.4Å; K327-N329 PolarHBondContact O-N 3.01Å; K327-N329 VanDerWaalsContact O-N 3.15Å; K327-D330 PolarHBondContact N-OD2 3.34Å; K327-D330 WeakPolarHBondContact O-CB 3.39Å; K327-D330 PolarHBondContact O-N 2.95Å; K327-D330 VanDerWaalsContact O-N 3.09Å
328Y86.9Confident93.7Very high151 Ų15158.2 Ų58.259%0.59227%0.271SS*.THydrogen-bonded Turntrans-57.6-31.9179.475.7-87.6000112.8Y815Y328-Y815 HydrophobicContact CE2-CE1 4.47Å; Y328-Y815 PolarHBondContact OH-OH 3.47Å
329N87.2Confident94Very high101 Ų10152.6 Ų52.654%0.5425%0.247SC..THydrogen-bonded Turntrans-92.60.1-178.267.7-36.1000114.3K327K327-N329 VanDerWaalsContact CB-OD1 3.27Å; K327-N329 WeakPolarHBondContact CB-OD1 3.4Å; K327-N329 PolarHBondContact O-N 3.01Å; K327-N329 VanDerWaalsContact O-N 3.15Å
330D94.4Very high94.2Very high11 Ų1147.3 Ų47.36%0.05922%0.223CC..SBendtrans-66.9133.9174.7-71.3-21.8000109.1K327 V334 K335 K338K327-D330 PolarHBondContact N-OD2 3.34Å; K327-D330 WeakPolarHBondContact O-CB 3.39Å; K327-D330 PolarHBondContact O-N 2.95Å; K327-D330 VanDerWaalsContact O-N 3.09Å; D330-V334 HydrophobicContact CB-CB 4.39Å; D330-V334 HydrophobicContact CB-CG1 4.08Å; D330-K335 HydrophobicContact CB-CG 3.83Å; D330-K335 WeakPolarHBondContact O-CE 3.49Å; D330-K338 IonicContact OD1-NZ 2.85Å; D330-K338 IonicContact OD2-NZ 2.68Å; D330-K338 PolarHBondContact OD2-NZ 3.19Å
331P94.8Very high94.4Very high33 Ų3343.9 Ų43.921%0.21421%0.207CC..  trans-68.8155.4173.429.7-34.3000110.6P296 Y333 V334 K335P296-P331 HydrophobicContact CB-CG 3.69Å; P296-P331 HydrophobicContact CG-CG 4.4Å; P331-Y333 VanDerWaalsContact C-N 3.28Å; P331-Y333 HydrophobicContact CB-CD1 3.92Å; P331-Y333 HydrophobicContact CB-CE1 3.45Å; P331-Y333 VanDerWaalsContact CB-CE1 3.45Å; P331-Y333 HydrophobicContact CG-CD1 4.19Å; P331-Y333 HydrophobicContact CG-CD2 4.46Å; P331-Y333 HydrophobicContact CG-CE1 3.57Å; P331-Y333 HydrophobicContact CG-CE2 3.89Å; P331-Y333 PolarHBondContact O-N 3.37Å; P331-Y333 VanDerWaalsContact O-N 3.13Å; P331-V334 HydrophobicContact CG-CB 4.08Å; P331-V334 HydrophobicContact CG-CG2 3.76Å; P331-V334 WeakPolarHBondContact O-CA 3.36Å; P331-V334 WeakPolarHBondContact O-CB 3.2Å; P331-V334 PolarHBondContact O-N 3.37Å; P331-K335 PolarHBondContact O-N 3.08Å
332I94.1Very high94.4Very high70 Ų7043.6 Ų43.636%0.35921%0.206SC..Hα-helixtrans-51-44.8-172.9-172.759.5000113V334 K335 L336 F369I332-V334 VanDerWaalsContact C-N 3.26Å; I332-V334 PolarHBondContact O-N 2.85Å; I332-K335 WeakPolarHBondContact O-CB 3.4Å; I332-K335 PolarHBondContact O-N 3.27Å; I332-L336 HydrophobicContact CD1-CD2 4.26Å; I332-L336 HydrophobicContact CD1-CG 4.21Å; I332-L336 HydrophobicContact CG1-CD1 4.23Å; I332-L336 HydrophobicContact CG1-CG 4.25Å; I332-L336 VanDerWaalsContact O-CG 3.27Å; I332-L336 WeakPolarHBondContact O-CG 2.96Å; I332-L336 PolarHBondContact O-N 3.03Å; I332-F369 HydrophobicContact CD1-CB 3.75Å; I332-F369 HydrophobicContact CD1-CD2 4.03Å; I332-F369 HydrophobicContact CD1-CG 4.18Å
333Y95.2Very high94.3Very high75 Ų7537.5 Ų37.529%0.29418%0.18SC..Hα-helixtrans-63.1-29.5-179.661-95.8000113.5P296 Y300 P331 E337P296-Y333 WeakPolarHBondContact CB-OH 3.44Å; Y300-Y333 AromaticContact CD2-CD2 3.59Å; Y300-Y333 HydrophobicContact CD2-CD2 3.59Å; Y300-Y333 HydrophobicContact CD2-CE2 4.4Å; Y300-Y333 HydrophobicContact CD2-CG 4.47Å; Y300-Y333 HydrophobicContact CE2-CD2 4.3Å; Y300-Y333 AromaticContact CG-CD2 3.76Å; Y300-Y333 HydrophobicContact CG-CD2 3.76Å; Y300-Y333 HydrophobicContact CG-CE2 4.15Å; P331-Y333 VanDerWaalsContact C-N 3.28Å; P331-Y333 HydrophobicContact CB-CD1 3.92Å; P331-Y333 HydrophobicContact CB-CE1 3.45Å; P331-Y333 VanDerWaalsContact CB-CE1 3.45Å; P331-Y333 HydrophobicContact CG-CD1 4.19Å; P331-Y333 HydrophobicContact CG-CD2 4.46Å; P331-Y333 HydrophobicContact CG-CE1 3.57Å; P331-Y333 HydrophobicContact CG-CE2 3.89Å; P331-Y333 PolarHBondContact O-N 3.37Å; P331-Y333 VanDerWaalsContact O-N 3.13Å; Y333-E337 PolarHBondContact O-N 3.26Å
334V97.5Very high94.1Very high0 Ų037.6 Ų37.60%018%0.176CC..Hα-helixtrans-75.7-43.4171.7170.30000110.4P296 Q299 L303 D330 P331 I332 L336 E337 K338P296-V334 HydrophobicContact CB-CG2 4.41Å; Q299-V334 HydrophobicContact CB-CG2 4.39Å; L303-V334 HydrophobicContact CD1-CB 4.48Å; L303-V334 HydrophobicContact CD1-CG1 3.81Å; D330-V334 HydrophobicContact CB-CB 4.39Å; D330-V334 HydrophobicContact CB-CG1 4.08Å; P331-V334 HydrophobicContact CG-CB 4.08Å; P331-V334 HydrophobicContact CG-CG2 3.76Å; P331-V334 WeakPolarHBondContact O-CA 3.36Å; P331-V334 WeakPolarHBondContact O-CB 3.2Å; P331-V334 PolarHBondContact O-N 3.37Å; I332-V334 VanDerWaalsContact C-N 3.26Å; I332-V334 PolarHBondContact O-N 2.85Å; V334-L336 VanDerWaalsContact C-N 3.27Å; V334-L336 PolarHBondContact O-N 3.36Å; V334-E337 PolarHBondContact O-N 2.86Å; V334-K338 HydrophobicContact CG1-CD 4.15Å; V334-K338 HydrophobicContact CG1-CG 4.44Å; V334-K338 WeakPolarHBondContact O-CB 3.11Å; V334-K338 WeakPolarHBondContact O-CG 3.22Å; V334-K338 PolarHBondContact O-N 2.83Å
335K96.6Very high94Very high16 Ų1638 Ų387%0.0718%0.178CC..Hα-helixtrans-55.7-43.8177.7-58.8-163.7167.7-175.40111.3V326 D330 P331 I332 L339 E364 F369V326-K335 HydrophobicContact CG1-CB 3.98Å; V326-K335 HydrophobicContact CG1-CD 3.56Å; V326-K335 HydrophobicContact CG1-CG 3.5Å; V326-K335 VanDerWaalsContact CG1-CG 3.5Å; V326-K335 HydrophobicContact CG2-CB 4.28Å; D330-K335 HydrophobicContact CB-CG 3.83Å; D330-K335 WeakPolarHBondContact O-CE 3.49Å; P331-K335 PolarHBondContact O-N 3.08Å; I332-K335 WeakPolarHBondContact O-CB 3.4Å; I332-K335 PolarHBondContact O-N 3.27Å; K335-L339 WeakPolarHBondContact O-CB 3.44Å; K335-L339 PolarHBondContact O-N 3.45Å; K335-E364 IonicContact NZ-OE1 3.85Å; K335-E364 PolarHBondContact NZ-OE1 3.29Å; K335-F369 HydrophobicContact CB-CD2 3.89Å; K335-F369 HydrophobicContact CB-CE2 3.51Å; K335-F369 HydrophobicContact CB-CZ 4.09Å; K335-F369 HydrophobicContact CD-CD1 4.31Å; K335-F369 HydrophobicContact CD-CD2 4.24Å; K335-F369 HydrophobicContact CD-CE1 4.18Å; K335-F369 HydrophobicContact CD-CE2 4.16Å; K335-F369 HydrophobicContact CD-CG 4.34Å; K335-F369 HydrophobicContact CD-CZ 4.12Å; K335-F369 HydrophobicContact CG-CE2 4.42Å
336L94.8Very high93.8Very high48 Ų4836.8 Ų36.825%0.25117%0.173SC..Hα-helixtrans-64.3-47.9-179.6-65.4-177.9000112.7I332 V334 K338 L339 D340 F369 K372I332-L336 HydrophobicContact CD1-CD2 4.26Å; I332-L336 HydrophobicContact CD1-CG 4.21Å; I332-L336 HydrophobicContact CG1-CD1 4.23Å; I332-L336 HydrophobicContact CG1-CG 4.25Å; I332-L336 VanDerWaalsContact O-CG 3.27Å; I332-L336 WeakPolarHBondContact O-CG 2.96Å; I332-L336 PolarHBondContact O-N 3.03Å; V334-L336 VanDerWaalsContact C-N 3.27Å; V334-L336 PolarHBondContact O-N 3.36Å; L336-K338 VanDerWaalsContact C-N 3.34Å; L336-K338 PolarHBondContact O-N 2.79Å; L336-L339 WeakPolarHBondContact O-CB 3.5Å; L336-L339 PolarHBondContact O-N 2.79Å; L336-D340 PolarHBondContact O-N 3.25Å; L336-D340 VanDerWaalsContact O-N 3.07Å; L336-F369 HydrophobicContact CD2-CD2 4.25Å; L336-K372 HydrophobicContact CD2-CD 3.27Å
337E95.8Very high93.6Very high16 Ų1638.1 Ų38.18%0.07518%0.184CC..Hα-helixtrans-67-36.7179.2-71.1-66.4158.800112.3Y300 L303 R304 N307 Y333 V334 L339 D340 I341Y300-E337 HydrophobicContact CD2-CG 3.96Å; Y300-E337 HydrophobicContact CE2-CG 3.67Å; L303-E337 HydrophobicContact CB-CB 3.92Å; L303-E337 HydrophobicContact CD1-CB 4.12Å; R304-E337 WeakPolarHBondContact CD-OE1 3.47Å; R304-E337 WeakPolarHBondContact CD-OE2 3.23Å; R304-E337 IonicContact CZ-OE1 2.94Å; R304-E337 IonicContact NE-OE1 2.63Å; R304-E337 IonicContact NH1-OE1 2.75Å; R304-E337 PolarHBondContact NH1-OE1 2.91Å; R304-E337 IonicContact NH1-OE2 2.81Å; N307-E337 PolarHBondContact ND2-OE2 2.88Å; Y333-E337 PolarHBondContact O-N 3.26Å; V334-E337 PolarHBondContact O-N 2.86Å; E337-L339 VanDerWaalsContact C-N 3.35Å; E337-D340 PolarHBondContact O-N 3.05Å; E337-I341 WeakPolarHBondContact O-CG1 3.44Å; E337-I341 PolarHBondContact O-N 3.43Å
338K97.2Very high93.6Very high3 Ų337 Ų371%0.01318%0.18CC..Hα-helixtrans-58.9-46.6171.9-84.1-176.6174-172.90111.7L303 F324 F325 V326 D330 V334 L336 D340 I341 M342L303-K338 HydrophobicContact CD1-CG 3.96Å; L303-K338 HydrophobicContact CD2-CG 4Å; F324-K338 WeakPolarHBondContact O-CB 3.13Å; F324-K338 WeakPolarHBondContact O-CD 3.06Å; F325-K338 PolarHBondContact O-NZ 2.91Å; F325-K338 VanDerWaalsContact O-NZ 3.17Å; V326-K338 HydrophobicContact CG2-CB 4.02Å; V326-K338 HydrophobicContact CG2-CD 4.21Å; D330-K338 IonicContact OD1-NZ 2.85Å; D330-K338 IonicContact OD2-NZ 2.68Å; D330-K338 PolarHBondContact OD2-NZ 3.19Å; V334-K338 HydrophobicContact CG1-CD 4.15Å; V334-K338 HydrophobicContact CG1-CG 4.44Å; V334-K338 WeakPolarHBondContact O-CB 3.11Å; V334-K338 WeakPolarHBondContact O-CG 3.22Å; V334-K338 PolarHBondContact O-N 2.83Å; L336-K338 VanDerWaalsContact C-N 3.34Å; L336-K338 PolarHBondContact O-N 2.79Å; K338-D340 VanDerWaalsContact C-N 3.34Å; K338-D340 PolarHBondContact O-N 3.48Å; K338-I341 PolarHBondContact O-N 2.83Å; K338-M342 VanDerWaalsContact O-CG 3.31Å; K338-M342 WeakPolarHBondContact O-CG 3.12Å; K338-M342 PolarHBondContact O-N 3.07Å
339L95.3Very high93.8Very high6 Ų634.7 Ų34.73%0.03119%0.192CC..Hα-helixtrans-59.2-44.9178.6-174.564.9000111.6K335 L336 E337 I341 M342 I343 L358 K372 A376K335-L339 WeakPolarHBondContact O-CB 3.44Å; K335-L339 PolarHBondContact O-N 3.45Å; L336-L339 WeakPolarHBondContact O-CB 3.5Å; L336-L339 PolarHBondContact O-N 2.79Å; E337-L339 VanDerWaalsContact C-N 3.35Å; L339-I341 PolarHBondContact O-N 3.41Å; L339-M342 WeakPolarHBondContact O-CB 3.29Å; L339-M342 PolarHBondContact O-N 3.41Å; L339-I343 HydrophobicContact CG-CD1 4.37Å; L339-I343 VanDerWaalsContact O-CG1 3.32Å; L339-I343 WeakPolarHBondContact O-CG1 3.44Å; L339-I343 PolarHBondContact O-N 3.42Å; L339-L358 HydrophobicContact CD1-CD2 3.35Å; L339-K372 HydrophobicContact CD2-CB 3.82Å; L339-A376 HydrophobicContact CD1-CB 3.67Å; L339-A376 HydrophobicContact CD2-CB 4.27Å; L339-A376 HydrophobicContact CG-CB 4.07Å
340D93.2Very high94.2Very high50 Ų5030.4 Ų30.427%0.26717%0.169SC..Hα-helixtrans-62.9-42.4177.2-84.1-31.8000112.5L336 E337 K338 I343 R344 R379L336-D340 PolarHBondContact O-N 3.25Å; L336-D340 VanDerWaalsContact O-N 3.07Å; E337-D340 PolarHBondContact O-N 3.05Å; K338-D340 VanDerWaalsContact C-N 3.34Å; K338-D340 PolarHBondContact O-N 3.48Å; D340-I343 PolarHBondContact O-N 3.29Å; D340-R344 WeakPolarHBondContact O-CG 3.09Å; D340-R344 PolarHBondContact O-N 2.95Å; D340-R344 VanDerWaalsContact O-N 3.14Å; D340-R379 IonicContact OD1-NH1 3.99Å; D340-R379 PolarHBondContact OD1-NH1 3.18Å
341I94.9Very high94.2Very high0 Ų029.9 Ų29.90%017%0.166CC..Hα-helixtrans-66.1-40176.1-67.5162.2000111.1L303 I306 N307 F324 E337 K338 L339 I343 R344 L345L303-I341 HydrophobicContact CB-CD1 4.1Å; L303-I341 HydrophobicContact CD2-CD1 3.57Å; L303-I341 HydrophobicContact CG-CD1 4.45Å; I306-I341 HydrophobicContact CB-CD1 4.31Å; I306-I341 HydrophobicContact CG2-CD1 3.93Å; I306-I341 HydrophobicContact CG2-CG2 4.47Å; N307-I341 HydrophobicContact CB-CD1 4.38Å; N307-I341 HydrophobicContact CB-CG1 4.15Å; F324-I341 HydrophobicContact CD1-CB 4.13Å; F324-I341 HydrophobicContact CD1-CD1 4.27Å; F324-I341 HydrophobicContact CD1-CG2 3.61Å; F324-I341 HydrophobicContact CD2-CG2 4.11Å; F324-I341 HydrophobicContact CE1-CB 4.45Å; F324-I341 HydrophobicContact CE1-CD1 4.15Å; F324-I341 HydrophobicContact CE1-CG2 3.64Å; F324-I341 HydrophobicContact CE2-CG2 4.14Å; F324-I341 HydrophobicContact CG-CG2 3.86Å; F324-I341 HydrophobicContact CZ-CG2 3.93Å; E337-I341 WeakPolarHBondContact O-CG1 3.44Å; E337-I341 PolarHBondContact O-N 3.43Å; K338-I341 PolarHBondContact O-N 2.83Å; L339-I341 PolarHBondContact O-N 3.41Å; I341-I343 VanDerWaalsContact C-N 3.34Å; I341-I343 PolarHBondContact O-N 2.83Å; I341-R344 PolarHBondContact O-N 2.79Å; I341-R344 VanDerWaalsContact O-N 3.17Å; I341-L345 HydrophobicContact CG2-CD1 3.76Å; I341-L345 HydrophobicContact CG2-CG 4.24Å; I341-L345 PolarHBondContact O-N 3.4Å
342M94.5Very high94.2Very high1 Ų131.4 Ų31.41%0.00518%0.182CC..Hα-helixtrans-58.2-45.1176.3-76.1175.862.400111.7I321 F324 F325 K338 L339 R344 L345 A346 V354 E357 Y361I321-M342 HydrophobicContact CD1-CB 4.39Å; I321-M342 HydrophobicContact CD1-CG 4.25Å; F324-M342 HydrophobicContact CB-CG 3.64Å; F324-M342 HydrophobicContact CB-SD 4.48Å; F325-M342 HydrophobicContact CD1-CE 3.66Å; F325-M342 HydrophobicContact CD1-SD 3.96Å; F325-M342 HydrophobicContact CE1-CE 3.8Å; K338-M342 VanDerWaalsContact O-CG 3.31Å; K338-M342 WeakPolarHBondContact O-CG 3.12Å; K338-M342 PolarHBondContact O-N 3.07Å; L339-M342 WeakPolarHBondContact O-CB 3.29Å; L339-M342 PolarHBondContact O-N 3.41Å; M342-R344 VanDerWaalsContact C-N 3.32Å; M342-R344 PolarHBondContact O-N 2.89Å; M342-L345 CarbonylContact O-C 3.49Å; M342-L345 PolarHBondContact O-N 3.17Å; M342-A346 WeakPolarHBondContact O-CB 3.47Å; M342-A346 PolarHBondContact O-N 3.48Å; M342-V354 HydrophobicContact CE-CG1 4.18Å; M342-E357 HydrophobicContact CE-CB 4.39Å; M342-Y361 HydrophobicContact CE-CE2 4.21Å; M342-Y361 HydrophobicContact SD-CE2 4.28Å
343I91.8Very high94.3Very high7 Ų732.1 Ų32.14%0.03618%0.183CC..Hα-helixtrans-61.5-43.1176.9-63.4161.8000110.2L339 D340 I341 L345 A346 A376 R379 K383L339-I343 HydrophobicContact CG-CD1 4.37Å; L339-I343 VanDerWaalsContact O-CG1 3.32Å; L339-I343 WeakPolarHBondContact O-CG1 3.44Å; L339-I343 PolarHBondContact O-N 3.42Å; D340-I343 PolarHBondContact O-N 3.29Å; I341-I343 VanDerWaalsContact C-N 3.34Å; I341-I343 PolarHBondContact O-N 2.83Å; I343-L345 VanDerWaalsContact C-N 3.35Å; I343-L345 PolarHBondContact O-N 2.91Å; I343-A346 WeakPolarHBondContact O-CB 3.31Å; I343-A346 PolarHBondContact O-N 3.16Å; I343-A376 HydrophobicContact CD1-CB 3.55Å; I343-A376 HydrophobicContact CG1-CB 3.88Å; I343-R379 HydrophobicContact CD1-CB 4.48Å; I343-R379 HydrophobicContact CG2-CB 3.89Å; I343-K383 WeakPolarHBondContact O-CD 3.17Å; I343-K383 PolarHBondContact O-NZ 3.2Å
344R90.9Very high94.3Very high43 Ų4328.6 Ų28.616%0.16217%0.17CC..Hα-helixtrans-67-31.4178.5-68.5177.1-168-75.3-0.1113.6N307 V310 D340 I341 M342 K383 D553 L554N307-R344 PolarHBondContact OD1-NE 3.45Å; V310-R344 HydrophobicContact CG1-CB 4.08Å; D340-R344 WeakPolarHBondContact O-CG 3.09Å; D340-R344 PolarHBondContact O-N 2.95Å; D340-R344 VanDerWaalsContact O-N 3.14Å; I341-R344 PolarHBondContact O-N 2.79Å; I341-R344 VanDerWaalsContact O-N 3.17Å; M342-R344 VanDerWaalsContact C-N 3.32Å; M342-R344 PolarHBondContact O-N 2.89Å; R344-K383 PolarHBondContact O-NZ 3.25Å; R344-D553 PolarHBondContact NH1-O 3.07Å; R344-D553 PolarHBondContact NH2-O 3.28Å; R344-L554 VanDerWaalsContact NH1-CD2 3.25Å
345L93.3Very high94.3Very high9 Ų929 Ų295%0.04717%0.172CC..Hα-helixtrans-90-8.8175.6-68176.5000113.9V310 L317 I321 F324 I341 M342 I343 S347 N350V310-L345 HydrophobicContact CG1-CD2 3.53Å; V310-L345 HydrophobicContact CG1-CG 3.9Å; V310-L345 HydrophobicContact CG2-CD2 4.18Å; L317-L345 HydrophobicContact CB-CD1 4.03Å; L317-L345 HydrophobicContact CB-CD2 4.31Å; I321-L345 HydrophobicContact CD1-CB 3.78Å; F324-L345 HydrophobicContact CD2-CD1 3.82Å; F324-L345 HydrophobicContact CE2-CD1 3.55Å; F324-L345 HydrophobicContact CZ-CD1 4.32Å; I341-L345 HydrophobicContact CG2-CD1 3.76Å; I341-L345 HydrophobicContact CG2-CG 4.24Å; I341-L345 PolarHBondContact O-N 3.4Å; M342-L345 CarbonylContact O-C 3.49Å; M342-L345 PolarHBondContact O-N 3.17Å; I343-L345 VanDerWaalsContact C-N 3.35Å; I343-L345 PolarHBondContact O-N 2.91Å; L345-S347 PolarHBondContact O-N 3.41Å; L345-N350 PolarHBondContact O-ND2 3.33Å
346A92.8Very high94.3Very high4 Ų430.9 Ų30.93%0.03319%0.19CC..  trans-60130.7177.500000111M342 I343 N350 K383M342-A346 WeakPolarHBondContact O-CB 3.47Å; M342-A346 PolarHBondContact O-N 3.48Å; I343-A346 WeakPolarHBondContact O-CB 3.31Å; I343-A346 PolarHBondContact O-N 3.16Å; A346-N350 WeakPolarHBondContact CA-OD1 3.48Å; A346-K383 PolarHBondContact O-NZ 3.03Å
347S92.4Very high94.3Very high46 Ų4631.4 Ų31.432%0.32219%0.191SC..  trans-149168.8-177.6690000109.8L345 A349 N350 I351L345-S347 PolarHBondContact O-N 3.41Å; S347-A349 PolarHBondContact O-N 2.79Å; S347-N350 PolarHBondContact N-OD1 3.41Å; S347-N350 PolarHBondContact O-N 3.42Å; S347-N350 VanDerWaalsContact O-N 3.12Å; S347-N350 PolarHBondContact O-OD1 3.41Å; S347-N350 PolarHBondContact OG-ND2 2.94Å; S347-N350 PolarHBondContact OG-OD1 3.32Å; S347-I351 WeakPolarHBondContact O-CB 3.29Å; S347-I351 PolarHBondContact O-N 3.2Å
348Q92Very high94.4Very high88 Ų8830.7 Ų30.741%0.41119%0.188SC..THydrogen-bonded Turntrans-57.3-27.3179.5-172.362.7-0.800113.6V384Q348-V384 HydrophobicContact CB-CG1 4.34Å
349A92.3Very high94.3Very high101 Ų10134 Ų3484%0.83520%0.203SC*.THydrogen-bonded Turntrans-76.1-30.9-178.900000113.6S347S347-A349 PolarHBondContact O-N 2.79Å
350N94.4Very high94.3Very high11 Ų1139.4 Ų39.46%0.05923%0.228CC..THydrogen-bonded Turntrans-115.9-7-172.66420.9000113.9I321 L345 A346 S347 A352 Q353 V354I321-N350 HydrophobicContact CG2-CB 4.19Å; L345-N350 PolarHBondContact O-ND2 3.33Å; A346-N350 WeakPolarHBondContact CA-OD1 3.48Å; S347-N350 PolarHBondContact N-OD1 3.41Å; S347-N350 PolarHBondContact O-N 3.42Å; S347-N350 VanDerWaalsContact O-N 3.12Å; S347-N350 PolarHBondContact O-OD1 3.41Å; S347-N350 PolarHBondContact OG-ND2 2.94Å; S347-N350 PolarHBondContact OG-OD1 3.32Å; N350-A352 PolarHBondContact O-N 3.18Å; N350-A352 VanDerWaalsContact O-N 3.12Å; N350-Q353 WeakPolarHBondContact O-CB 3.35Å; N350-Q353 PolarHBondContact O-N 3.34Å; N350-V354 PolarHBondContact O-N 3.41Å; N350-V354 VanDerWaalsContact O-N 3.14Å
351I94.7Very high94.4Very high1 Ų137.7 Ų37.71%0.00522%0.217CC..Hα-helixtrans-57.4-34.1-172.7-170.755.7000113.9S347 Q353 V354 L355 C380S347-I351 WeakPolarHBondContact O-CB 3.29Å; S347-I351 PolarHBondContact O-N 3.2Å; I351-Q353 VanDerWaalsContact C-N 3.29Å; I351-Q353 PolarHBondContact O-N 3.22Å; I351-V354 HydrophobicContact CD1-CB 4.43Å; I351-V354 PolarHBondContact O-N 3.35Å; I351-L355 HydrophobicContact CD1-CD1 4.35Å; I351-L355 HydrophobicContact CD1-CD2 4.32Å; I351-L355 HydrophobicContact CD1-CG 3.94Å; I351-L355 HydrophobicContact CG1-CD1 4.04Å; I351-L355 HydrophobicContact CG1-CG 4.1Å; I351-L355 WeakPolarHBondContact O-CB 3.27Å; I351-L355 WeakPolarHBondContact O-CG 3.38Å; I351-L355 PolarHBondContact O-N 3.42Å; I351-C380 HydrophobicContact CD1-CB 3.72Å
352A94.7Very high94.4Very high65 Ų6538 Ų3854%0.53722%0.22SC..Hα-helixtrans-62-38.1177.100000112.3N350 A356N350-A352 PolarHBondContact O-N 3.18Å; N350-A352 VanDerWaalsContact O-N 3.12Å; A352-A356 WeakPolarHBondContact O-CB 3.42Å; A352-A356 PolarHBondContact O-N 3.04Å
353Q95.2Very high94.2Very high85 Ų8542.9 Ų42.940%0.39725%0.25SS..Hα-helixtrans-72.5-43.7177-64.3176.2-12.900110.6F325 N350 I351 L355 A356 E357F325-Q353 HydrophobicContact CZ-CB 4.31Å; N350-Q353 WeakPolarHBondContact O-CB 3.35Å; N350-Q353 PolarHBondContact O-N 3.34Å; I351-Q353 VanDerWaalsContact C-N 3.29Å; I351-Q353 PolarHBondContact O-N 3.22Å; Q353-L355 PolarHBondContact O-N 2.84Å; Q353-A356 PolarHBondContact O-N 2.91Å; Q353-E357 WeakPolarHBondContact O-CG 3.48Å; Q353-E357 PolarHBondContact O-N 3.04Å; Q353-E357 VanDerWaalsContact O-N 3.08Å
354V96.2Very high94.2Very high1 Ų145 Ų451%0.00626%0.26CS..Hα-helixtrans-59.4-46.5178175.80000110.9I321 M342 N350 I351 A356 E357 L358I321-V354 HydrophobicContact CD1-CG2 4.18Å; I321-V354 HydrophobicContact CG1-CG2 3.87Å; M342-V354 HydrophobicContact CE-CG1 4.18Å; N350-V354 PolarHBondContact O-N 3.41Å; N350-V354 VanDerWaalsContact O-N 3.14Å; I351-V354 HydrophobicContact CD1-CB 4.43Å; I351-V354 PolarHBondContact O-N 3.35Å; V354-A356 PolarHBondContact O-N 2.73Å; V354-E357 PolarHBondContact O-N 2.94Å; V354-L358 HydrophobicContact CG1-CD1 3.83Å; V354-L358 HydrophobicContact CG1-CG 4.19Å; V354-L358 WeakPolarHBondContact O-CB 3.27Å; V354-L358 VanDerWaalsContact O-CG 3.26Å; V354-L358 WeakPolarHBondContact O-CG 3.4Å; V354-L358 PolarHBondContact O-N 2.95Å
355L97.1Very high94.1Very high9 Ų949.2 Ų49.25%0.04729%0.29CS..Hα-helixtrans-65.6-37.6179.2-70.1178.7000113I351 Q353 E357 L358 K359 I377 R390I351-L355 HydrophobicContact CD1-CD1 4.35Å; I351-L355 HydrophobicContact CD1-CD2 4.32Å; I351-L355 HydrophobicContact CD1-CG 3.94Å; I351-L355 HydrophobicContact CG1-CD1 4.04Å; I351-L355 HydrophobicContact CG1-CG 4.1Å; I351-L355 WeakPolarHBondContact O-CB 3.27Å; I351-L355 WeakPolarHBondContact O-CG 3.38Å; I351-L355 PolarHBondContact O-N 3.42Å; Q353-L355 PolarHBondContact O-N 2.84Å; L355-E357 VanDerWaalsContact C-N 3.34Å; L355-L358 PolarHBondContact O-N 3.43Å; L355-K359 WeakPolarHBondContact O-CB 3.27Å; L355-K359 PolarHBondContact O-N 3.4Å; L355-I377 HydrophobicContact CD2-CB 4.47Å; L355-I377 HydrophobicContact CD2-CG1 4.33Å; L355-I377 HydrophobicContact CD2-CG2 3.91Å; L355-R390 HydrophobicContact CD1-CB 3.73Å
356A96.2Very high94.1Very high55 Ų5552 Ų5246%0.45531%0.305SS..Hα-helixtrans-60.6-46.2175.200000111A352 Q353 V354 K359 E360A352-A356 WeakPolarHBondContact O-CB 3.42Å; A352-A356 PolarHBondContact O-N 3.04Å; Q353-A356 PolarHBondContact O-N 2.91Å; V354-A356 PolarHBondContact O-N 2.73Å; A356-K359 WeakPolarHBondContact O-CB 3.43Å; A356-K359 PolarHBondContact O-N 2.91Å; A356-E360 PolarHBondContact O-N 3.26Å
357E96.4Very high94.1Very high59 Ų5954.1 Ų54.128%0.27632%0.317SS..Hα-helixtrans-65.7-45.3177.2-68.1-69.8152.200112.5F325 M342 Q353 V354 L355 K359 E360 Y361F325-E357 HydrophobicContact CD1-CG 3.98Å; F325-E357 VanDerWaalsContact CD2-CD 3.47Å; F325-E357 HydrophobicContact CD2-CG 3.68Å; F325-E357 HydrophobicContact CE1-CG 3.85Å; F325-E357 HydrophobicContact CE2-CG 3.52Å; F325-E357 HydrophobicContact CG-CG 3.92Å; F325-E357 HydrophobicContact CZ-CG 3.63Å; M342-E357 HydrophobicContact CE-CB 4.39Å; Q353-E357 WeakPolarHBondContact O-CG 3.48Å; Q353-E357 PolarHBondContact O-N 3.04Å; Q353-E357 VanDerWaalsContact O-N 3.08Å; V354-E357 PolarHBondContact O-N 2.94Å; L355-E357 VanDerWaalsContact C-N 3.34Å; E357-K359 PolarHBondContact O-N 2.9Å; E357-E360 WeakPolarHBondContact O-CB 3.37Å; E357-E360 PolarHBondContact O-N 2.97Å; E357-E360 VanDerWaalsContact O-N 3.08Å; E357-Y361 HydrophobicContact CB-CE1 4.34Å; E357-Y361 HydrophobicContact CB-CE2 4.3Å; E357-Y361 WeakPolarHBondContact O-CD1 3.49Å; E357-Y361 VanDerWaalsContact O-CG 3.25Å; E357-Y361 PolarHBondContact O-N 2.98Å; E357-Y361 PolarHBondContact OE2-OH 2.74Å; E357-Y361 VanDerWaalsContact OE2-OH 3.07Å
358L97.3Very high94.1Very high1 Ų156.3 Ų56.31%0.00533%0.325CS..Hα-helixtrans-60.9-33.1177.4-69.6177.6000112.3L339 V354 L355 Y361 A362 A376 I377L339-L358 HydrophobicContact CD1-CD2 3.35Å; V354-L358 HydrophobicContact CG1-CD1 3.83Å; V354-L358 HydrophobicContact CG1-CG 4.19Å; V354-L358 WeakPolarHBondContact O-CB 3.27Å; V354-L358 VanDerWaalsContact O-CG 3.26Å; V354-L358 WeakPolarHBondContact O-CG 3.4Å; V354-L358 PolarHBondContact O-N 2.95Å; L355-L358 PolarHBondContact O-N 3.43Å; L358-Y361 HydrophobicContact CD2-CD2 4.01Å; L358-Y361 HydrophobicContact CD2-CE2 4.43Å; L358-Y361 PolarHBondContact O-N 3.44Å; L358-A362 PolarHBondContact O-N 3.02Å; L358-A376 HydrophobicContact CD1-CB 3.99Å; L358-A376 HydrophobicContact CD2-CB 3.88Å; L358-I377 HydrophobicContact CB-CD1 4.16Å; L358-I377 HydrophobicContact CB-CG1 3.73Å; L358-I377 HydrophobicContact CD1-CG1 3.76Å; L358-I377 HydrophobicContact CG-CG1 4.37Å
359K95.5Very high94.3Very high73 Ų7352.1 Ų52.132%0.31731%0.306SS..Hα-helixtrans-65.3-42.9173.8-173.3177.1-179.1172.60111.4L355 A356 E357 Y361 A362 T394 D397 L398L355-K359 WeakPolarHBondContact O-CB 3.27Å; L355-K359 PolarHBondContact O-N 3.4Å; A356-K359 WeakPolarHBondContact O-CB 3.43Å; A356-K359 PolarHBondContact O-N 2.91Å; E357-K359 PolarHBondContact O-N 2.9Å; K359-Y361 VanDerWaalsContact C-N 3.33Å; K359-A362 WeakPolarHBondContact O-CB 3.44Å; K359-A362 PolarHBondContact O-N 3.22Å; K359-T394 HydrophobicContact CB-CG2 4.08Å; K359-T394 HydrophobicContact CD-CG2 4.33Å; K359-T394 HydrophobicContact CG-CG2 4.35Å; K359-D397 IonicContact NZ-OD2 2.83Å; K359-D397 PolarHBondContact NZ-OD2 3.06Å; K359-L398 HydrophobicContact CG-CD2 4.13Å
360E95.1Very high94.5Very high119 Ų11947.3 Ų47.356%0.55627%0.266SS*.Hα-helixtrans-63.8-39.5173.9-63.4-59.314600111.3A356 E357 A362 T363A356-E360 PolarHBondContact O-N 3.26Å; E357-E360 WeakPolarHBondContact O-CB 3.37Å; E357-E360 PolarHBondContact O-N 2.97Å; E357-E360 VanDerWaalsContact O-N 3.08Å; E360-A362 PolarHBondContact O-N 2.91Å; E360-T363 WeakPolarHBondContact O-CB 3.35Å; E360-T363 PolarHBondContact O-N 3.4Å; E360-T363 PolarHBondContact O-OG1 3.29Å
361Y95.7Very high94.5Very high13 Ų1349.3 Ų49.35%0.05127%0.273CS..Hα-helixtrans-64.9-21.9178.2-59.3-10.1000113.2F325 V326 M342 E357 L358 K359 T363 E364 F369F325-Y361 WeakPolarHBondContact CA-OH 3.49Å; F325-Y361 WeakPolarHBondContact CB-OH 3.41Å; V326-Y361 HydrophobicContact CB-CE1 4.12Å; V326-Y361 HydrophobicContact CB-CE2 4.05Å; V326-Y361 HydrophobicContact CG2-CE2 4Å; V326-Y361 PolarHBondContact N-OH 3.29Å; M342-Y361 HydrophobicContact CE-CE2 4.21Å; M342-Y361 HydrophobicContact SD-CE2 4.28Å; E357-Y361 HydrophobicContact CB-CE1 4.34Å; E357-Y361 HydrophobicContact CB-CE2 4.3Å; E357-Y361 WeakPolarHBondContact O-CD1 3.49Å; E357-Y361 VanDerWaalsContact O-CG 3.25Å; E357-Y361 PolarHBondContact O-N 2.98Å; E357-Y361 PolarHBondContact OE2-OH 2.74Å; E357-Y361 VanDerWaalsContact OE2-OH 3.07Å; L358-Y361 HydrophobicContact CD2-CD2 4.01Å; L358-Y361 HydrophobicContact CD2-CE2 4.43Å; L358-Y361 PolarHBondContact O-N 3.44Å; K359-Y361 VanDerWaalsContact C-N 3.33Å; Y361-T363 PolarHBondContact O-N 3.17Å; Y361-E364 WeakPolarHBondContact O-CB 3.47Å; Y361-E364 PolarHBondContact O-N 3.48Å; Y361-F369 HydrophobicContact CD2-CZ 4.1Å; Y361-F369 HydrophobicContact CG-CE1 4.14Å; Y361-F369 HydrophobicContact CG-CZ 4.19Å
362A93.2Very high94.5Very high6 Ų653.4 Ų53.45%0.0529%0.29CS..THydrogen-bonded Turntrans-72.1-10.2173.100000113.5L358 K359 E360 V370 V374 L398L358-A362 PolarHBondContact O-N 3.02Å; K359-A362 WeakPolarHBondContact O-CB 3.44Å; K359-A362 PolarHBondContact O-N 3.22Å; E360-A362 PolarHBondContact O-N 2.91Å; A362-V370 HydrophobicContact CB-CG1 4.43Å; A362-V374 HydrophobicContact CB-CG2 4.32Å; A362-L398 HydrophobicContact CB-CD1 3.97Å; A362-L398 HydrophobicContact CB-CD2 3.55Å; A362-L398 HydrophobicContact CB-CG 4.42Å
363T91.7Very high94.7Very high105 Ų10550.3 Ų50.364%0.64427%0.265SS*.THydrogen-bonded Turntrans-96.3-0.3177.273.30000113.6E360 Y361E360-T363 WeakPolarHBondContact O-CB 3.35Å; E360-T363 PolarHBondContact O-N 3.4Å; E360-T363 PolarHBondContact O-OG1 3.29Å; Y361-T363 PolarHBondContact O-N 3.17Å
364E91.9Very high94.8Very high51 Ų5146.2 Ų46.224%0.23825%0.246CC..SBendtrans-65.9162176.7-86.6-85.5-153.300112.8K335 Y361 F369 V370K335-E364 IonicContact NZ-OE1 3.85Å; K335-E364 PolarHBondContact NZ-OE1 3.29Å; Y361-E364 WeakPolarHBondContact O-CB 3.47Å; Y361-E364 PolarHBondContact O-N 3.48Å; E364-F369 HydrophobicContact CB-CD1 4.19Å; E364-F369 HydrophobicContact CG-CD1 4.26Å; E364-F369 HydrophobicContact CG-CE1 4.25Å; E364-V370 HydrophobicContact CB-CG2 3.94Å; E364-V370 VanDerWaalsContact O-CG2 3.28Å; E364-V370 WeakPolarHBondContact O-CG2 3.35Å
365V89Confident94.7Very high131 Ų13151.9 Ų51.979%0.79427%0.267SS*.SBendtrans-80.8-31.6-177.1-178.60000112.1V367V365-V367 PolarHBondContact O-N 3.29Å
366D92.4Very high94.6Very high67 Ų6751.5 Ų51.536%0.35827%0.265SS..  trans-75.1107-178.1-174.1-51.6000110.7D368 F369 V370D366-D368 VanDerWaalsContact C-N 3.31Å; D366-D368 PolarHBondContact O-N 3.11Å; D366-D368 PolarHBondContact OD1-N 2.75Å; D366-F369 HydrophobicContact CB-CB 3.94Å; D366-F369 PolarHBondContact O-N 2.99Å; D366-F369 PolarHBondContact OD1-N 3.2Å; D366-V370 VanDerWaalsContact O-CG2 3.29Å; D366-V370 WeakPolarHBondContact O-CG2 3.48Å; D366-V370 PolarHBondContact O-N 2.97Å
367V92Very high94.6Very high49 Ų4948.9 Ų48.930%0.29724%0.244SC..Hα-helixtrans-60.2-39.6-175.4-176.40000111.9V365 V370 R371 Y405V365-V367 PolarHBondContact O-N 3.29Å; V367-V370 PolarHBondContact O-N 3.33Å; V367-R371 WeakPolarHBondContact O-CG 3.49Å; V367-R371 PolarHBondContact O-N 2.9Å; V367-Y405 HydrophobicContact CG1-CD1 4.41Å; V367-Y405 HydrophobicContact CG1-CD2 3.84Å; V367-Y405 HydrophobicContact CG1-CE2 4.34Å; V367-Y405 HydrophobicContact CG1-CG 3.88Å; V367-Y405 HydrophobicContact CG2-CE1 4.44Å
368D93.5Very high94.5Very high92 Ų9246.2 Ų46.249%0.49223%0.232SC..Hα-helixtrans-72-33-177.8-72.4-33.2000112.3D366 R371 K372D366-D368 VanDerWaalsContact C-N 3.31Å; D366-D368 PolarHBondContact O-N 3.11Å; D366-D368 PolarHBondContact OD1-N 2.75Å; D368-R371 IonicContact OD1-NH1 2.7Å; D368-R371 PolarHBondContact OD1-NH1 2.84Å; D368-K372 WeakPolarHBondContact O-CG 3.27Å; D368-K372 PolarHBondContact O-N 2.73Å; D368-K372 PolarHBondContact O-NZ 3.31Å; D368-K372 VanDerWaalsContact O-NZ 3.12Å
369F95.5Very high94.3Very high0 Ų049.2 Ų49.20%024%0.243CC..Hα-helixtrans-69-47.4170.7-178.2-113000111.4V326 I332 K335 L336 Y361 E364 D366 R371 K372 A373V326-F369 HydrophobicContact CB-CZ 4.38Å; V326-F369 HydrophobicContact CG1-CZ 4.09Å; V326-F369 HydrophobicContact CG2-CZ 4.1Å; I332-F369 HydrophobicContact CD1-CB 3.75Å; I332-F369 HydrophobicContact CD1-CD2 4.03Å; I332-F369 HydrophobicContact CD1-CG 4.18Å; K335-F369 HydrophobicContact CB-CD2 3.89Å; K335-F369 HydrophobicContact CB-CE2 3.51Å; K335-F369 HydrophobicContact CB-CZ 4.09Å; K335-F369 HydrophobicContact CD-CD1 4.31Å; K335-F369 HydrophobicContact CD-CD2 4.24Å; K335-F369 HydrophobicContact CD-CE1 4.18Å; K335-F369 HydrophobicContact CD-CE2 4.16Å; K335-F369 HydrophobicContact CD-CG 4.34Å; K335-F369 HydrophobicContact CD-CZ 4.12Å; K335-F369 HydrophobicContact CG-CE2 4.42Å; L336-F369 HydrophobicContact CD2-CD2 4.25Å; Y361-F369 HydrophobicContact CD2-CZ 4.1Å; Y361-F369 HydrophobicContact CG-CE1 4.14Å; Y361-F369 HydrophobicContact CG-CZ 4.19Å; E364-F369 HydrophobicContact CB-CD1 4.19Å; E364-F369 HydrophobicContact CG-CD1 4.26Å; E364-F369 HydrophobicContact CG-CE1 4.25Å; D366-F369 HydrophobicContact CB-CB 3.94Å; D366-F369 PolarHBondContact O-N 2.99Å; D366-F369 PolarHBondContact OD1-N 3.2Å; F369-R371 VanDerWaalsContact C-N 3.32Å; F369-R371 PolarHBondContact O-N 3.02Å; F369-K372 PolarHBondContact O-N 2.9Å; F369-K372 VanDerWaalsContact O-N 3.09Å; F369-A373 PolarHBondContact O-N 3.16Å
370V96.6Very high94.2Very high0 Ų045.7 Ų45.70%023%0.228CC..Hα-helixtrans-56-47.7177.6168.90000110.6A362 E364 D366 V367 K372 A373 V374 Y405 V406A362-V370 HydrophobicContact CB-CG1 4.43Å; E364-V370 HydrophobicContact CB-CG2 3.94Å; E364-V370 VanDerWaalsContact O-CG2 3.28Å; E364-V370 WeakPolarHBondContact O-CG2 3.35Å; D366-V370 VanDerWaalsContact O-CG2 3.29Å; D366-V370 WeakPolarHBondContact O-CG2 3.48Å; D366-V370 PolarHBondContact O-N 2.97Å; V367-V370 PolarHBondContact O-N 3.33Å; V370-K372 VanDerWaalsContact C-N 3.29Å; V370-K372 PolarHBondContact O-N 3.4Å; V370-A373 WeakPolarHBondContact O-CB 3.41Å; V370-A373 PolarHBondContact O-N 3.21Å; V370-A373 VanDerWaalsContact O-N 3.1Å; V370-V374 HydrophobicContact CG1-CG2 4.41Å; V370-V374 WeakPolarHBondContact O-CG2 3Å; V370-V374 PolarHBondContact O-N 3.27Å; V370-Y405 HydrophobicContact CB-CE2 4.19Å; V370-Y405 HydrophobicContact CG1-CD2 4.18Å; V370-Y405 HydrophobicContact CG1-CE2 3.75Å; V370-V406 HydrophobicContact CG1-CG2 3.79Å
371R95.4Very high94.1Very high53 Ų5340 Ų4020%0.220%0.202CC..Hα-helixtrans-56.5-43.6176.8-75.8-174.7-176.2117.8-2.9112.2V367 D368 F369 V374 R375 E409 E441V367-R371 WeakPolarHBondContact O-CG 3.49Å; V367-R371 PolarHBondContact O-N 2.9Å; D368-R371 IonicContact OD1-NH1 2.7Å; D368-R371 PolarHBondContact OD1-NH1 2.84Å; F369-R371 VanDerWaalsContact C-N 3.32Å; F369-R371 PolarHBondContact O-N 3.02Å; R371-V374 PolarHBondContact O-N 2.82Å; R371-R375 WeakPolarHBondContact O-CG 3.48Å; R371-R375 PolarHBondContact O-N 2.93Å; R371-E409 HydrophobicContact CB-CG 4.06Å; R371-E409 WeakPolarHBondContact CD-OE2 3.09Å; R371-E409 HydrophobicContact CG-CB 4.27Å; R371-E409 HydrophobicContact CG-CG 4.17Å; R371-E409 WeakPolarHBondContact CG-OE2 3.47Å; R371-E441 IonicContact CZ-OE1 3.75Å; R371-E441 IonicContact NE-OE1 2.66Å; R371-E441 IonicContact NH2-OE1 3.66Å; R371-E441 PolarHBondContact NH2-OE1 2.79Å; R371-E441 IonicContact NH2-OE2 2.9Å
372K94.9Very high93.9Very high87 Ų8740.6 Ų40.638%0.37821%0.206SC..Hα-helixtrans-67.3-36.4177.5-71.1176.1-170.266.40112.4L336 L339 D368 F369 V370 R375 A376L336-K372 HydrophobicContact CD2-CD 3.27Å; L339-K372 HydrophobicContact CD2-CB 3.82Å; D368-K372 WeakPolarHBondContact O-CG 3.27Å; D368-K372 PolarHBondContact O-N 2.73Å; D368-K372 PolarHBondContact O-NZ 3.31Å; D368-K372 VanDerWaalsContact O-NZ 3.12Å; F369-K372 PolarHBondContact O-N 2.9Å; F369-K372 VanDerWaalsContact O-N 3.09Å; V370-K372 VanDerWaalsContact C-N 3.29Å; V370-K372 PolarHBondContact O-N 3.4Å; K372-R375 PolarHBondContact O-N 3.32Å; K372-A376 WeakPolarHBondContact O-CB 3.38Å; K372-A376 PolarHBondContact O-N 2.86Å
373A97.1Very high93.7Very high0 Ų042.8 Ų42.80%021%0.214CC..Hα-helixtrans-63.4-42.3173.500000111.8F369 V370 A376 I377F369-A373 PolarHBondContact O-N 3.16Å; V370-A373 WeakPolarHBondContact O-CB 3.41Å; V370-A373 PolarHBondContact O-N 3.21Å; V370-A373 VanDerWaalsContact O-N 3.1Å; A373-A376 VanDerWaalsContact O-CB 3.32Å; A373-A376 WeakPolarHBondContact O-CB 3.05Å; A373-A376 PolarHBondContact O-N 2.77Å; A373-I377 PolarHBondContact O-N 3.34Å
374V97.5Very high93.7Very high0 Ų038.3 Ų38.30%019%0.186CC..Hα-helixtrans-63.6-44.4174.3177.80000111A362 V370 R371 A376 I377 G378 L395 L398 V406 E409 A410 V413A362-V374 HydrophobicContact CB-CG2 4.32Å; V370-V374 HydrophobicContact CG1-CG2 4.41Å; V370-V374 WeakPolarHBondContact O-CG2 3Å; V370-V374 PolarHBondContact O-N 3.27Å; R371-V374 PolarHBondContact O-N 2.82Å; V374-A376 VanDerWaalsContact C-N 3.28Å; V374-A376 PolarHBondContact O-N 3.49Å; V374-I377 WeakPolarHBondContact O-CB 3.47Å; V374-I377 PolarHBondContact O-N 3.13Å; V374-G378 PolarHBondContact O-N 3.2Å; V374-L395 HydrophobicContact CG1-CD2 3.87Å; V374-L398 HydrophobicContact CG2-CD1 4.19Å; V374-V406 HydrophobicContact CG2-CG1 4.24Å; V374-E409 HydrophobicContact CB-CB 4.37Å; V374-E409 HydrophobicContact CB-CG 3.95Å; V374-E409 HydrophobicContact CG1-CB 4.1Å; V374-E409 HydrophobicContact CG1-CG 3.92Å; V374-A410 HydrophobicContact CG1-CB 4.13Å; V374-V413 HydrophobicContact CG1-CG2 4.29Å
375R95.1Very high93.6Very high119 Ų11940.5 Ų40.545%0.44920%0.196SC..Hα-helixtrans-59-37.6172.4-74.1-174.2-178.2-177.55112.9R371 K372 I377 G378 R379 E409 V413R371-R375 WeakPolarHBondContact O-CG 3.48Å; R371-R375 PolarHBondContact O-N 2.93Å; K372-R375 PolarHBondContact O-N 3.32Å; R375-I377 VanDerWaalsContact C-N 3.29Å; R375-I377 PolarHBondContact O-N 3.11Å; R375-G378 WeakPolarHBondContact O-CA 3.49Å; R375-G378 PolarHBondContact O-N 3.24Å; R375-G378 VanDerWaalsContact O-N 3.08Å; R375-R379 PolarHBondContact O-N 2.94Å; R375-E409 HydrophobicContact CG-CG 4.19Å; R375-E409 VanDerWaalsContact CG-OE1 3.26Å; R375-E409 WeakPolarHBondContact CG-OE1 3.36Å; R375-E409 IonicContact CZ-OE1 3.61Å; R375-E409 IonicContact CZ-OE2 3.63Å; R375-E409 IonicContact NE-OE1 2.67Å; R375-E409 PolarHBondContact NE-OE1 3.4Å; R375-E409 IonicContact NE-OE2 3.62Å; R375-E409 IonicContact NH2-OE1 3.32Å; R375-E409 PolarHBondContact NH2-OE1 3.4Å; R375-E409 IonicContact NH2-OE2 2.71Å; R375-E409 PolarHBondContact NH2-OE2 2.84Å; R375-V413 HydrophobicContact CG-CG2 4.15Å
376A95.2Very high93.7Very high1 Ų140.4 Ų40.41%0.00819%0.187CC..Hα-helixtrans-61.6-37177.700000112.2L339 I343 L358 K372 A373 V374 G378 R379 C380L339-A376 HydrophobicContact CD1-CB 3.67Å; L339-A376 HydrophobicContact CD2-CB 4.27Å; L339-A376 HydrophobicContact CG-CB 4.07Å; I343-A376 HydrophobicContact CD1-CB 3.55Å; I343-A376 HydrophobicContact CG1-CB 3.88Å; L358-A376 HydrophobicContact CD1-CB 3.99Å; L358-A376 HydrophobicContact CD2-CB 3.88Å; K372-A376 WeakPolarHBondContact O-CB 3.38Å; K372-A376 PolarHBondContact O-N 2.86Å; A373-A376 VanDerWaalsContact O-CB 3.32Å; A373-A376 WeakPolarHBondContact O-CB 3.05Å; A373-A376 PolarHBondContact O-N 2.77Å; V374-A376 VanDerWaalsContact C-N 3.28Å; V374-A376 PolarHBondContact O-N 3.49Å; A376-G378 VanDerWaalsContact C-N 3.28Å; A376-G378 PolarHBondContact O-N 2.82Å; A376-R379 PolarHBondContact O-N 3.2Å; A376-C380 PolarHBondContact O-N 3.43Å; A376-C380 PolarHBondContact O-SG 3.44Å; A376-C380 VanDerWaalsContact O-SG 3.38Å
377I96.7Very high93.6Very high0 Ų037.2 Ų37.20%017%0.17CC..Hα-helixtrans-59.4-43.2173.3-61.5168.7000110.2L355 L358 A373 V374 R375 C380 A381 C391 T394 L395 L398L355-I377 HydrophobicContact CD2-CB 4.47Å; L355-I377 HydrophobicContact CD2-CG1 4.33Å; L355-I377 HydrophobicContact CD2-CG2 3.91Å; L358-I377 HydrophobicContact CB-CD1 4.16Å; L358-I377 HydrophobicContact CB-CG1 3.73Å; L358-I377 HydrophobicContact CD1-CG1 3.76Å; L358-I377 HydrophobicContact CG-CG1 4.37Å; A373-I377 PolarHBondContact O-N 3.34Å; V374-I377 WeakPolarHBondContact O-CB 3.47Å; V374-I377 PolarHBondContact O-N 3.13Å; R375-I377 VanDerWaalsContact C-N 3.29Å; R375-I377 PolarHBondContact O-N 3.11Å; I377-C380 WeakPolarHBondContact O-CB 3.49Å; I377-C380 PolarHBondContact O-N 2.78Å; I377-A381 PolarHBondContact O-N 3.34Å; I377-C391 HydrophobicContact CG2-CB 3.86Å; I377-T394 HydrophobicContact CD1-CG2 3.98Å; I377-L395 HydrophobicContact CB-CD2 4.21Å; I377-L395 HydrophobicContact CD1-CD2 4.37Å; I377-L395 HydrophobicContact CG2-CD1 4.23Å; I377-L395 HydrophobicContact CG2-CD2 4.01Å; I377-L395 HydrophobicContact CG2-CG 3.83Å; I377-L398 HydrophobicContact CD1-CD1 3.65Å
378G93.4Very high93.7Very high4 Ų434.9 Ų34.94%0.04116%0.156CC..Hα-helixtrans-58.8-48.9173.100000113.6V374 R375 A376 C380 A381 I382V374-G378 PolarHBondContact O-N 3.2Å; R375-G378 WeakPolarHBondContact O-CA 3.49Å; R375-G378 PolarHBondContact O-N 3.24Å; R375-G378 VanDerWaalsContact O-N 3.08Å; A376-G378 VanDerWaalsContact C-N 3.28Å; A376-G378 PolarHBondContact O-N 2.82Å; G378-C380 VanDerWaalsContact C-N 3.28Å; G378-C380 PolarHBondContact O-N 2.8Å; G378-A381 VanDerWaalsContact O-CB 3.3Å; G378-A381 WeakPolarHBondContact O-CB 3.45Å; G378-A381 PolarHBondContact O-N 3.15Å; G378-I382 WeakPolarHBondContact O-CG1 3.49Å; G378-I382 PolarHBondContact O-N 3.41Å
379R93.5Very high93.7Very high63 Ų6336.4 Ų36.424%0.23816%0.161CC..Hα-helixtrans-61.1-38.2178-67.7178.672.1-159.24.1111.6D340 I343 R375 A376 I382 K383 D553D340-R379 IonicContact OD1-NH1 3.99Å; D340-R379 PolarHBondContact OD1-NH1 3.18Å; I343-R379 HydrophobicContact CD1-CB 4.48Å; I343-R379 HydrophobicContact CG2-CB 3.89Å; R375-R379 PolarHBondContact O-N 2.94Å; A376-R379 PolarHBondContact O-N 3.2Å; R379-I382 PolarHBondContact O-N 3.09Å; R379-K383 VanDerWaalsContact O-CB 3.28Å; R379-K383 WeakPolarHBondContact O-CB 3.47Å; R379-K383 PolarHBondContact O-N 3.07Å; R379-D553 IonicContact CZ-OD2 3.88Å; R379-D553 IonicContact NE-OD2 3.72Å; R379-D553 PolarHBondContact NE-OD2 3.18Å; R379-D553 VanDerWaalsContact NH2-CB 3.32Å; R379-D553 VanDerWaalsContact NH2-CG 3.33Å; R379-D553 IonicContact NH2-OD2 3.3Å; R379-D553 PolarHBondContact NH2-OD2 3Å
380C93.9Very high93.7Very high0 Ų042.4 Ų42.40%018%0.183CC..Hα-helixtrans-62.1-41.1172.1-72.10000112.8I351 A376 I377 G378 I382 K383 V384I351-C380 HydrophobicContact CD1-CB 3.72Å; A376-C380 PolarHBondContact O-N 3.43Å; A376-C380 PolarHBondContact O-SG 3.44Å; A376-C380 VanDerWaalsContact O-SG 3.38Å; I377-C380 WeakPolarHBondContact O-CB 3.49Å; I377-C380 PolarHBondContact O-N 2.78Å; G378-C380 VanDerWaalsContact C-N 3.28Å; G378-C380 PolarHBondContact O-N 2.8Å; C380-I382 VanDerWaalsContact C-N 3.31Å; C380-I382 PolarHBondContact O-N 3.27Å; C380-K383 PolarHBondContact O-N 3.06Å; C380-V384 PolarHBondContact O-N 3.43Å
381A92.9Very high93.6Very high0 Ų042.4 Ų42.40%018%0.183CC..Hα-helixtrans-62.1-39.2176.800000112.2I377 G378 A388 C391 I417 Y421I377-A381 PolarHBondContact O-N 3.34Å; G378-A381 VanDerWaalsContact O-CB 3.3Å; G378-A381 WeakPolarHBondContact O-CB 3.45Å; G378-A381 PolarHBondContact O-N 3.15Å; A381-A388 HydrophobicContact CB-CB 4.38Å; A381-C391 HydrophobicContact CB-CB 3.54Å; A381-I417 HydrophobicContact CB-CD1 3.83Å; A381-I417 HydrophobicContact CB-CG1 4.04Å; A381-Y421 PolarHBondContact O-OH 3.44Å; A381-Y421 VanDerWaalsContact O-OH 3.11Å
382I90.1Very high93.7Very high25 Ų2540.1 Ų40.113%0.12818%0.175CC..Hα-helixtrans-73-40.4-179.9-64.9167.6000111.2G378 R379 C380 I548G378-I382 WeakPolarHBondContact O-CG1 3.49Å; G378-I382 PolarHBondContact O-N 3.41Å; R379-I382 PolarHBondContact O-N 3.09Å; C380-I382 VanDerWaalsContact C-N 3.31Å; C380-I382 PolarHBondContact O-N 3.27Å; I382-I548 HydrophobicContact CD1-CG2 4.33Å
383K90.1Very high93.7Very high51 Ų5139 Ų3922%0.22218%0.178CC..Hα-helixtrans-74.4-45.6-177.6177.2176.8-168.4-140.30113.6I343 R344 A346 R379 C380 E550I343-K383 WeakPolarHBondContact O-CD 3.17Å; I343-K383 PolarHBondContact O-NZ 3.2Å; R344-K383 PolarHBondContact O-NZ 3.25Å; A346-K383 PolarHBondContact O-NZ 3.03Å; R379-K383 VanDerWaalsContact O-CB 3.28Å; R379-K383 WeakPolarHBondContact O-CB 3.47Å; R379-K383 PolarHBondContact O-N 3.07Å; C380-K383 PolarHBondContact O-N 3.06Å; K383-E550 HydrophobicContact CB-CG 4.47Å; K383-E550 WeakPolarHBondContact CD-OE1 3.31Å; K383-E550 VanDerWaalsContact CE-OE1 3.27Å; K383-E550 WeakPolarHBondContact CE-OE1 3.41Å; K383-E550 VanDerWaalsContact CG-OE1 3.23Å; K383-E550 WeakPolarHBondContact CG-OE1 3.22Å; K383-E550 WeakPolarHBondContact CG-OE2 3.15Å
384V90.9Very high93.7Very high11 Ų1139.8 Ų39.87%0.06718%0.183CC..  trans-112.288.2-176-174.60000108.5Q348 C380 Q386 S387Q348-V384 HydrophobicContact CB-CG1 4.34Å; C380-V384 PolarHBondContact O-N 3.43Å; V384-Q386 PolarHBondContact O-N 2.89Å; V384-Q386 VanDerWaalsContact O-N 3.13Å; V384-S387 WeakPolarHBondContact CB-OG 3.43Å; V384-S387 WeakPolarHBondContact O-CA 3.31Å; V384-S387 WeakPolarHBondContact O-CB 3.23Å; V384-S387 PolarHBondContact O-N 3.08Å; V384-S387 PolarHBondContact O-OG 3.3Å
385E90.4Very high93.7Very high97 Ų9739.8 Ų39.845%0.45318%0.183SC..G310 helixtrans-56.5-35.8-171-50.7-164.4138.900113.6S387 A388 Y421E385-S387 PolarHBondContact O-N 3.4Å; E385-A388 WeakPolarHBondContact O-CB 3.4Å; E385-A388 PolarHBondContact O-N 3.06Å; E385-Y421 WeakPolarHBondContact CA-OH 3.28Å; E385-Y421 HydrophobicContact CB-CE1 4.38Å; E385-Y421 WeakPolarHBondContact CB-OH 3.37Å; E385-Y421 HydrophobicContact CG-CE1 4.46Å; E385-Y421 WeakPolarHBondContact CG-OH 3.38Å
386Q91.2Very high93.8Very high129 Ų12935.6 Ų35.660%0.60317%0.169SC*.G310 helixtrans-69.8-10.9178.4-56.782.225.900113.1V384V384-Q386 PolarHBondContact O-N 2.89Å; V384-Q386 VanDerWaalsContact O-N 3.13Å
387S90.5Very high93.8Very high0 Ų038.3 Ų38.30%018%0.184CC..G310 helixtrans-101-7178.280.40000113.9V384 E385 E389 R390 C391V384-S387 WeakPolarHBondContact CB-OG 3.43Å; V384-S387 WeakPolarHBondContact O-CA 3.31Å; V384-S387 WeakPolarHBondContact O-CB 3.23Å; V384-S387 PolarHBondContact O-N 3.08Å; V384-S387 PolarHBondContact O-OG 3.3Å; E385-S387 PolarHBondContact O-N 3.4Å; S387-E389 VanDerWaalsContact C-N 3.25Å; S387-E389 PolarHBondContact O-N 3.5Å; S387-R390 WeakPolarHBondContact O-CB 3.25Å; S387-R390 PolarHBondContact O-N 3.29Å; S387-C391 PolarHBondContact O-N 3.15Å; S387-C391 PolarHBondContact O-SG 2.82Å
388A92.9Very high93.7Very high0 Ų038.6 Ų38.60%019%0.185CC..Hα-helixtrans-54.5-40.6-175.800000112.4A381 E385 R390 C391 V392 Y421 Y425A381-A388 HydrophobicContact CB-CB 4.38Å; E385-A388 WeakPolarHBondContact O-CB 3.4Å; E385-A388 PolarHBondContact O-N 3.06Å; A388-R390 PolarHBondContact O-N 3.22Å; A388-C391 PolarHBondContact O-N 2.79Å; A388-V392 WeakPolarHBondContact O-CG2 3.43Å; A388-V392 PolarHBondContact O-N 3.46Å; A388-Y421 HydrophobicContact CB-CD2 4.17Å; A388-Y421 HydrophobicContact CB-CE2 3.65Å; A388-Y425 HydrophobicContact CB-CE2 4.42Å; A388-Y425 VanDerWaalsContact CB-OH 3.27Å; A388-Y425 WeakPolarHBondContact CB-OH 3.44Å
389E93.8Very high93.7Very high125 Ų12538.5 Ų38.558%0.58418%0.184SC*.Hα-helixtrans-58.3-42.9174.4-81.2167.1-150.500113.2S387 S393 K424 Y425S387-E389 VanDerWaalsContact C-N 3.25Å; S387-E389 PolarHBondContact O-N 3.5Å; E389-S393 WeakPolarHBondContact O-CB 3.38Å; E389-S393 PolarHBondContact O-N 3.29Å; E389-K424 IonicContact OE1-NZ 3.61Å; E389-Y425 HydrophobicContact CG-CE1 3.63Å; E389-Y425 PolarHBondContact N-OH 3.41Å
390R94.9Very high93.7Very high125 Ų12541.8 Ų41.847%0.47220%0.202SC..Hα-helixtrans-69.5-37.2178.1-63.2-174.5-177.7125.60.1111.7L355 S387 A388 S393 T394L355-R390 HydrophobicContact CD1-CB 3.73Å; S387-R390 WeakPolarHBondContact O-CB 3.25Å; S387-R390 PolarHBondContact O-N 3.29Å; A388-R390 PolarHBondContact O-N 3.22Å; R390-S393 PolarHBondContact O-N 3.45Å; R390-T394 WeakPolarHBondContact O-CB 3.39Å; R390-T394 PolarHBondContact O-N 3.3Å; R390-T394 PolarHBondContact O-OG1 3.47Å
391C96.2Very high93.6Very high0 Ų045.3 Ų45.30%022%0.224CC..Hα-helixtrans-64.7-46.6176.4-59.30000110.7I377 A381 S387 A388 S393 T394 L395I377-C391 HydrophobicContact CG2-CB 3.86Å; A381-C391 HydrophobicContact CB-CB 3.54Å; S387-C391 PolarHBondContact O-N 3.15Å; S387-C391 PolarHBondContact O-SG 2.82Å; A388-C391 PolarHBondContact O-N 2.79Å; C391-S393 PolarHBondContact O-N 3.38Å; C391-T394 WeakPolarHBondContact O-CB 3.3Å; C391-T394 PolarHBondContact O-N 3.25Å; C391-T394 VanDerWaalsContact O-N 3.12Å; C391-L395 WeakPolarHBondContact O-CG 3.36Å; C391-L395 PolarHBondContact O-N 3.12Å
392V96.3Very high93.5Very high6 Ų650.8 Ų50.84%0.03625%0.247CC..Hα-helixtrans-59.2-46.6174.9171.90000110.9A388 T394 L395 L396 I417 Y425 I428A388-V392 WeakPolarHBondContact O-CG2 3.43Å; A388-V392 PolarHBondContact O-N 3.46Å; V392-T394 VanDerWaalsContact C-N 3.27Å; V392-T394 PolarHBondContact O-N 3.03Å; V392-L395 PolarHBondContact O-N 3.04Å; V392-L396 HydrophobicContact CG1-CD1 4.42Å; V392-L396 WeakPolarHBondContact O-CG 3.33Å; V392-L396 PolarHBondContact O-N 2.95Å; V392-I417 HydrophobicContact CG2-CD1 4.12Å; V392-I417 HydrophobicContact CG2-CG2 3.93Å; V392-Y425 HydrophobicContact CG2-CD1 4.3Å; V392-Y425 HydrophobicContact CG2-CD2 4.26Å; V392-Y425 HydrophobicContact CG2-CE1 4.42Å; V392-Y425 HydrophobicContact CG2-CE2 4.37Å; V392-Y425 HydrophobicContact CG2-CG 4.23Å; V392-I428 HydrophobicContact CG1-CD1 3.7Å; V392-I428 HydrophobicContact CG1-CG2 4.03Å
393S95.9Very high93.6Very high62 Ų6252 Ų5243%0.43426%0.256SS..Hα-helixtrans-56.2-42.3174.3-174.50000112.3E389 R390 C391 L396 D397E389-S393 WeakPolarHBondContact O-CB 3.38Å; E389-S393 PolarHBondContact O-N 3.29Å; R390-S393 PolarHBondContact O-N 3.45Å; C391-S393 PolarHBondContact O-N 3.38Å; S393-L396 PolarHBondContact O-N 3.3Å; S393-D397 PolarHBondContact O-N 2.81Å; S393-D397 VanDerWaalsContact O-N 3.09Å
394T97Very high93.7Very high17 Ų1753.4 Ų53.410%0.10427%0.266CS..Hα-helixtrans-66.8-41.4178.8-53.70000111.1K359 I377 R390 C391 V392 L396 D397 L398K359-T394 HydrophobicContact CB-CG2 4.08Å; K359-T394 HydrophobicContact CD-CG2 4.33Å; K359-T394 HydrophobicContact CG-CG2 4.35Å; I377-T394 HydrophobicContact CD1-CG2 3.98Å; R390-T394 WeakPolarHBondContact O-CB 3.39Å; R390-T394 PolarHBondContact O-N 3.3Å; R390-T394 PolarHBondContact O-OG1 3.47Å; C391-T394 WeakPolarHBondContact O-CB 3.3Å; C391-T394 PolarHBondContact O-N 3.25Å; C391-T394 VanDerWaalsContact O-N 3.12Å; V392-T394 VanDerWaalsContact C-N 3.27Å; V392-T394 PolarHBondContact O-N 3.03Å; T394-L396 VanDerWaalsContact C-N 3.33Å; T394-L396 PolarHBondContact O-N 3.18Å; T394-D397 WeakPolarHBondContact O-CB 3.4Å; T394-D397 PolarHBondContact O-N 3.4Å; T394-L398 WeakPolarHBondContact O-CG 3.22Å; T394-L398 PolarHBondContact O-N 3.21Å
395L97.3Very high93.8Very high0 Ų056 Ų560%028%0.275CS..Hα-helixtrans-64.7-37.7176.7-68.2165.6000111.8V374 I377 C391 V392 L398 I399 A410 V413 I414 I417V374-L395 HydrophobicContact CG1-CD2 3.87Å; I377-L395 HydrophobicContact CB-CD2 4.21Å; I377-L395 HydrophobicContact CD1-CD2 4.37Å; I377-L395 HydrophobicContact CG2-CD1 4.23Å; I377-L395 HydrophobicContact CG2-CD2 4.01Å; I377-L395 HydrophobicContact CG2-CG 3.83Å; C391-L395 WeakPolarHBondContact O-CG 3.36Å; C391-L395 PolarHBondContact O-N 3.12Å; V392-L395 PolarHBondContact O-N 3.04Å; L395-L398 WeakPolarHBondContact O-CB 3.48Å; L395-L398 PolarHBondContact O-N 3.02Å; L395-I399 WeakPolarHBondContact O-CG1 3.22Å; L395-I399 PolarHBondContact O-N 2.66Å; L395-A410 HydrophobicContact CD2-CB 4.13Å; L395-V413 HydrophobicContact CD1-CB 4.45Å; L395-V413 HydrophobicContact CD1-CG1 3.62Å; L395-V413 HydrophobicContact CD2-CG1 4.21Å; L395-I414 HydrophobicContact CB-CD1 4.15Å; L395-I414 HydrophobicContact CB-CG1 4.32Å; L395-I414 HydrophobicContact CD1-CG1 3.89Å; L395-I417 HydrophobicContact CD1-CD1 3.62Å
396L95.9Very high94Very high32 Ų3251.6 Ų51.617%0.16825%0.254CS..Hα-helixtrans-63.5-43.9174.1-73.9177.3000112.1V392 S393 T394 L398 I399 Q400 I428 T431V392-L396 HydrophobicContact CG1-CD1 4.42Å; V392-L396 WeakPolarHBondContact O-CG 3.33Å; V392-L396 PolarHBondContact O-N 2.95Å; S393-L396 PolarHBondContact O-N 3.3Å; T394-L396 VanDerWaalsContact C-N 3.33Å; T394-L396 PolarHBondContact O-N 3.18Å; L396-L398 PolarHBondContact O-N 3.42Å; L396-I399 PolarHBondContact O-N 3.34Å; L396-Q400 WeakPolarHBondContact O-CG 3.31Å; L396-Q400 PolarHBondContact O-N 3.19Å; L396-I428 HydrophobicContact CD1-CB 4.2Å; L396-I428 HydrophobicContact CD1-CG2 3.74Å; L396-I428 HydrophobicContact CD2-CB 4.06Å; L396-T431 HydrophobicContact CD2-CG2 4.14Å
397D95.6Very high94.2Very high58 Ų5845.4 Ų45.431%0.3123%0.225SC..Hα-helixtrans-58.1-40.4173.9-70.6-7.3000111.2K359 S393 T394 Q400 T401K359-D397 IonicContact NZ-OD2 2.83Å; K359-D397 PolarHBondContact NZ-OD2 3.06Å; S393-D397 PolarHBondContact O-N 2.81Å; S393-D397 VanDerWaalsContact O-N 3.09Å; T394-D397 WeakPolarHBondContact O-CB 3.4Å; T394-D397 PolarHBondContact O-N 3.4Å; D397-Q400 WeakPolarHBondContact O-CB 3.28Å; D397-Q400 PolarHBondContact O-N 3.33Å; D397-T401 PolarHBondContact O-N 3.17Å
398L95.1Very high94.5Very high6 Ų645.6 Ų45.63%0.03123%0.226CC..Hα-helixtrans-67-39.8176.9-69.5179.2000111.9K359 A362 V374 I377 T394 L395 L396 Q400 T401 V406K359-L398 HydrophobicContact CG-CD2 4.13Å; A362-L398 HydrophobicContact CB-CD1 3.97Å; A362-L398 HydrophobicContact CB-CD2 3.55Å; A362-L398 HydrophobicContact CB-CG 4.42Å; V374-L398 HydrophobicContact CG2-CD1 4.19Å; I377-L398 HydrophobicContact CD1-CD1 3.65Å; T394-L398 WeakPolarHBondContact O-CG 3.22Å; T394-L398 PolarHBondContact O-N 3.21Å; L395-L398 WeakPolarHBondContact O-CB 3.48Å; L395-L398 PolarHBondContact O-N 3.02Å; L396-L398 PolarHBondContact O-N 3.42Å; L398-Q400 VanDerWaalsContact C-N 3.27Å; L398-Q400 PolarHBondContact O-N 2.8Å; L398-T401 WeakPolarHBondContact O-CB 3.35Å; L398-T401 WeakPolarHBondContact O-CG2 3.29Å; L398-T401 PolarHBondContact O-N 2.71Å; L398-T401 VanDerWaalsContact O-N 3.12Å; L398-T401 PolarHBondContact O-OG1 3.12Å; L398-V406 HydrophobicContact CB-CG1 3.86Å
399I94.4Very high94.6Very high1 Ų145.9 Ų45.91%0.00523%0.228CC..Hα-helixtrans-62.1-37.6174.7-70.9166000110.9L395 L396 T401 K402 V407 A410 I414 L432 N435L395-I399 WeakPolarHBondContact O-CG1 3.22Å; L395-I399 PolarHBondContact O-N 2.66Å; L396-I399 PolarHBondContact O-N 3.34Å; I399-T401 PolarHBondContact O-N 2.81Å; I399-K402 PolarHBondContact O-N 3.26Å; I399-V407 HydrophobicContact CG2-CG1 4.44Å; I399-V407 HydrophobicContact CG2-CG2 4.46Å; I399-A410 HydrophobicContact CD1-CB 4.01Å; I399-A410 HydrophobicContact CG1-CB 3.75Å; I399-I414 HydrophobicContact CD1-CD1 3.68Å; I399-L432 HydrophobicContact CD1-CD2 3.64Å; I399-N435 HydrophobicContact CG2-CB 4.49Å; I399-N435 WeakPolarHBondContact CG2-ND2 3.42Å
400Q92.6Very high94.8Very high132 Ų13240 Ų4062%0.61720%0.2SC*.Hα-helixtrans-64.8-16.8177-71.4177.39.800113.9L396 D397 L398 K402L396-Q400 WeakPolarHBondContact O-CG 3.31Å; L396-Q400 PolarHBondContact O-N 3.19Å; D397-Q400 WeakPolarHBondContact O-CB 3.28Å; D397-Q400 PolarHBondContact O-N 3.33Å; L398-Q400 VanDerWaalsContact C-N 3.27Å; L398-Q400 PolarHBondContact O-N 2.8Å; Q400-K402 PolarHBondContact O-N 3.4Å
401T91.8Very high94.8Very high75 Ų7534 Ų3446%0.4618%0.178SC..THydrogen-bonded Turntrans-67.3-16.8172.870.60000113D397 L398 I399 V403D397-T401 PolarHBondContact O-N 3.17Å; L398-T401 WeakPolarHBondContact O-CB 3.35Å; L398-T401 WeakPolarHBondContact O-CG2 3.29Å; L398-T401 PolarHBondContact O-N 2.71Å; L398-T401 VanDerWaalsContact O-N 3.12Å; L398-T401 PolarHBondContact O-OG1 3.12Å; I399-T401 PolarHBondContact O-N 2.81Å; T401-V403 PolarHBondContact O-N 3.37Å
402K90.4Very high94.8Very high114 Ų11434.6 Ų34.650%0.49618%0.181SC..  trans57.126.1-179.5-57.7-67.9-174168.60113.7I399 Q400 N435I399-K402 PolarHBondContact O-N 3.26Å; Q400-K402 PolarHBondContact O-N 3.4Å; K402-N435 WeakPolarHBondContact CD-OD1 3.49Å; K402-N435 WeakPolarHBondContact CE-OD1 3.12Å; K402-N435 PolarHBondContact NZ-OD1 3.45Å
403V92.7Very high94.8Very high51 Ų5134.7 Ų34.731%0.30918%0.181SC..  trans-85.6114172.1-179.90000109T401 Y405 V406 V407T401-V403 PolarHBondContact O-N 3.37Å; V403-Y405 HydrophobicContact CG1-CD1 3.86Å; V403-Y405 HydrophobicContact CG1-CD2 4.42Å; V403-Y405 HydrophobicContact CG1-CE1 3.37Å; V403-Y405 HydrophobicContact CG1-CE2 4.01Å; V403-Y405 HydrophobicContact CG1-CG 4.35Å; V403-Y405 VanDerWaalsContact CG1-CZ 3.46Å; V403-Y405 PolarHBondContact O-N 2.72Å; V403-V406 HydrophobicContact CB-CB 4.16Å; V403-V406 HydrophobicContact CB-CG2 3.99Å; V403-V406 HydrophobicContact CG1-CB 4.37Å; V403-V406 HydrophobicContact CG1-CG2 3.81Å; V403-V406 WeakPolarHBondContact O-CB 3.41Å; V403-V406 PolarHBondContact O-N 3.15Å; V403-V407 WeakPolarHBondContact O-CG2 3.06Å; V403-V407 PolarHBondContact O-N 3.22Å
404N92.2Very high94.8Very high80 Ų8031.7 Ų31.743%0.42816%0.161SC..Hα-helixtrans-48.1-56.1-169.5-68.3-4.1000114.4V406 V407 Q408N404-V406 VanDerWaalsContact C-N 3.27Å; N404-V406 PolarHBondContact O-N 2.64Å; N404-V407 PolarHBondContact O-N 3.25Å; N404-Q408 WeakPolarHBondContact O-CB 3.46Å; N404-Q408 VanDerWaalsContact O-CG 3.27Å; N404-Q408 WeakPolarHBondContact O-CG 3.24Å; N404-Q408 PolarHBondContact O-N 2.93Å; N404-Q408 PolarHBondContact O-NE2 2.91Å
405Y92.8Very high94.6Very high67 Ų6733.1 Ų33.126%0.26316%0.164SC..Hα-helixtrans-66.7-27.6-176.858.9-96.2000113.2V367 V370 V403 E409V367-Y405 HydrophobicContact CG1-CD1 4.41Å; V367-Y405 HydrophobicContact CG1-CD2 3.84Å; V367-Y405 HydrophobicContact CG1-CE2 4.34Å; V367-Y405 HydrophobicContact CG1-CG 3.88Å; V367-Y405 HydrophobicContact CG2-CE1 4.44Å; V370-Y405 HydrophobicContact CB-CE2 4.19Å; V370-Y405 HydrophobicContact CG1-CD2 4.18Å; V370-Y405 HydrophobicContact CG1-CE2 3.75Å; V403-Y405 HydrophobicContact CG1-CD1 3.86Å; V403-Y405 HydrophobicContact CG1-CD2 4.42Å; V403-Y405 HydrophobicContact CG1-CE1 3.37Å; V403-Y405 HydrophobicContact CG1-CE2 4.01Å; V403-Y405 HydrophobicContact CG1-CG 4.35Å; V403-Y405 VanDerWaalsContact CG1-CZ 3.46Å; V403-Y405 PolarHBondContact O-N 2.72Å; Y405-E409 WeakPolarHBondContact O-CB 3.46Å; Y405-E409 PolarHBondContact O-N 2.93Å
406V95.4Very high94.4Very high3 Ų335.1 Ų35.12%0.01818%0.175CC..Hα-helixtrans-73.1-45.9174.91790000110.2V370 V374 L398 V403 N404 Q408 E409 A410V370-V406 HydrophobicContact CG1-CG2 3.79Å; V374-V406 HydrophobicContact CG2-CG1 4.24Å; L398-V406 HydrophobicContact CB-CG1 3.86Å; V403-V406 HydrophobicContact CB-CB 4.16Å; V403-V406 HydrophobicContact CB-CG2 3.99Å; V403-V406 HydrophobicContact CG1-CB 4.37Å; V403-V406 HydrophobicContact CG1-CG2 3.81Å; V403-V406 WeakPolarHBondContact O-CB 3.41Å; V403-V406 PolarHBondContact O-N 3.15Å; N404-V406 VanDerWaalsContact C-N 3.27Å; N404-V406 PolarHBondContact O-N 2.64Å; V406-Q408 VanDerWaalsContact C-N 3.33Å; V406-Q408 PolarHBondContact O-N 3.35Å; V406-E409 PolarHBondContact O-N 2.99Å; V406-A410 VanDerWaalsContact O-CB 3.24Å; V406-A410 WeakPolarHBondContact O-CB 3.35Å; V406-A410 PolarHBondContact O-N 2.85Å
407V95.5Very high94.3Very high0 Ų033.6 Ų33.60%017%0.167CC..Hα-helixtrans-58.3-47.7177.5171.80000110.2I399 V403 N404 A410 I411 N435I399-V407 HydrophobicContact CG2-CG1 4.44Å; I399-V407 HydrophobicContact CG2-CG2 4.46Å; V403-V407 WeakPolarHBondContact O-CG2 3.06Å; V403-V407 PolarHBondContact O-N 3.22Å; N404-V407 PolarHBondContact O-N 3.25Å; V407-A410 PolarHBondContact O-N 3.42Å; V407-I411 HydrophobicContact CG1-CD1 3.77Å; V407-I411 WeakPolarHBondContact O-CD1 3.41Å; V407-I411 VanDerWaalsContact O-CG1 3.29Å; V407-I411 WeakPolarHBondContact O-CG1 3.48Å; V407-I411 PolarHBondContact O-N 3.37Å; V407-N435 HydrophobicContact CG1-CB 4.05Å
408Q95.1Very high94.1Very high4 Ų431 Ų312%0.01915%0.153CC..Hα-helixtrans-61.9-48.6-179.4-74.6-175.374.800112.7N404 V406 A410 I411 V412 S438 L439 D440 A444N404-Q408 WeakPolarHBondContact O-CB 3.46Å; N404-Q408 VanDerWaalsContact O-CG 3.27Å; N404-Q408 WeakPolarHBondContact O-CG 3.24Å; N404-Q408 PolarHBondContact O-N 2.93Å; N404-Q408 PolarHBondContact O-NE2 2.91Å; V406-Q408 VanDerWaalsContact C-N 3.33Å; V406-Q408 PolarHBondContact O-N 3.35Å; Q408-A410 VanDerWaalsContact C-N 3.32Å; Q408-A410 PolarHBondContact O-N 3.31Å; Q408-I411 PolarHBondContact O-N 2.98Å; Q408-V412 PolarHBondContact O-N 3.36Å; Q408-V412 VanDerWaalsContact O-N 3.16Å; Q408-S438 WeakPolarHBondContact CG-O 3.48Å; Q408-S438 PolarHBondContact NE2-O 3.4Å; Q408-S438 VanDerWaalsContact NE2-O 3.14Å; Q408-L439 HydrophobicContact CG-CD2 3.78Å; Q408-D440 PolarHBondContact NE2-OD1 3.39Å; Q408-D440 PolarHBondContact OE1-OD1 3.02Å; Q408-A444 HydrophobicContact CB-CB 3.65Å; Q408-A444 HydrophobicContact CG-CB 3.88Å
409E96.2Very high93.9Very high6 Ų635 Ų353%0.02817%0.167CC..Hα-helixtrans-65.3-37.9177.2-167.366.5-121.700111.5R371 V374 R375 Y405 V406 I411 V412 V413R371-E409 HydrophobicContact CB-CG 4.06Å; R371-E409 WeakPolarHBondContact CD-OE2 3.09Å; R371-E409 HydrophobicContact CG-CB 4.27Å; R371-E409 HydrophobicContact CG-CG 4.17Å; R371-E409 WeakPolarHBondContact CG-OE2 3.47Å; V374-E409 HydrophobicContact CB-CB 4.37Å; V374-E409 HydrophobicContact CB-CG 3.95Å; V374-E409 HydrophobicContact CG1-CB 4.1Å; V374-E409 HydrophobicContact CG1-CG 3.92Å; R375-E409 HydrophobicContact CG-CG 4.19Å; R375-E409 VanDerWaalsContact CG-OE1 3.26Å; R375-E409 WeakPolarHBondContact CG-OE1 3.36Å; R375-E409 IonicContact CZ-OE1 3.61Å; R375-E409 IonicContact CZ-OE2 3.63Å; R375-E409 IonicContact NE-OE1 2.67Å; R375-E409 PolarHBondContact NE-OE1 3.4Å; R375-E409 IonicContact NE-OE2 3.62Å; R375-E409 IonicContact NH2-OE1 3.32Å; R375-E409 PolarHBondContact NH2-OE1 3.4Å; R375-E409 IonicContact NH2-OE2 2.71Å; R375-E409 PolarHBondContact NH2-OE2 2.84Å; Y405-E409 WeakPolarHBondContact O-CB 3.46Å; Y405-E409 PolarHBondContact O-N 2.93Å; V406-E409 PolarHBondContact O-N 2.99Å; E409-I411 VanDerWaalsContact C-N 3.3Å; E409-I411 PolarHBondContact O-N 3.31Å; E409-V412 WeakPolarHBondContact O-CB 3.41Å; E409-V412 PolarHBondContact O-N 3.13Å; E409-V413 WeakPolarHBondContact O-CG2 3.17Å; E409-V413 PolarHBondContact O-N 3.19Å
410A97.2Very high93.8Very high0 Ų036.7 Ų36.70%018%0.175CC..Hα-helixtrans-62.2-37.6175.900000112V374 L395 I399 V406 V407 Q408 V413 I414V374-A410 HydrophobicContact CG1-CB 4.13Å; L395-A410 HydrophobicContact CD2-CB 4.13Å; I399-A410 HydrophobicContact CD1-CB 4.01Å; I399-A410 HydrophobicContact CG1-CB 3.75Å; V406-A410 VanDerWaalsContact O-CB 3.24Å; V406-A410 WeakPolarHBondContact O-CB 3.35Å; V406-A410 PolarHBondContact O-N 2.85Å; V407-A410 PolarHBondContact O-N 3.42Å; Q408-A410 VanDerWaalsContact C-N 3.32Å; Q408-A410 PolarHBondContact O-N 3.31Å; A410-V413 PolarHBondContact O-N 3.33Å; A410-I414 WeakPolarHBondContact O-CB 3.46Å; A410-I414 VanDerWaalsContact O-CG1 3.23Å; A410-I414 WeakPolarHBondContact O-CG1 3.39Å; A410-I414 PolarHBondContact O-N 3.28Å
411I96.2Very high93.8Very high1 Ų131.6 Ų31.61%0.00515%0.15CC..Hα-helixtrans-65.9-43.2176.4-71.1159.6000111.2V407 Q408 E409 V413 I414 R415 L432 L439 A447 M448 I451V407-I411 HydrophobicContact CG1-CD1 3.77Å; V407-I411 WeakPolarHBondContact O-CD1 3.41Å; V407-I411 VanDerWaalsContact O-CG1 3.29Å; V407-I411 WeakPolarHBondContact O-CG1 3.48Å; V407-I411 PolarHBondContact O-N 3.37Å; Q408-I411 PolarHBondContact O-N 2.98Å; E409-I411 VanDerWaalsContact C-N 3.3Å; E409-I411 PolarHBondContact O-N 3.31Å; I411-V413 VanDerWaalsContact C-N 3.28Å; I411-V413 PolarHBondContact O-N 2.93Å; I411-I414 PolarHBondContact O-N 3.07Å; I411-R415 PolarHBondContact O-N 3.05Å; I411-L432 HydrophobicContact CG1-CD2 4.3Å; I411-L439 HydrophobicContact CD1-CD2 3.61Å; I411-A447 HydrophobicContact CG2-CB 4.16Å; I411-M448 HydrophobicContact CD1-CE 3.66Å; I411-M448 HydrophobicContact CG1-CE 4.11Å; I411-M448 HydrophobicContact CG2-CB 4.24Å; I411-M448 HydrophobicContact CG2-CE 4.04Å; I411-I451 HydrophobicContact CG2-CD1 4.48Å
412V95.6Very high93.6Very high12 Ų1231.4 Ų31.47%0.07315%0.15CC..Hα-helixtrans-57.1-45.2173.6171.60000110.5Q408 E409 R415 D416 D443 A444 A447Q408-V412 PolarHBondContact O-N 3.36Å; Q408-V412 VanDerWaalsContact O-N 3.16Å; E409-V412 WeakPolarHBondContact O-CB 3.41Å; E409-V412 PolarHBondContact O-N 3.13Å; V412-R415 WeakPolarHBondContact O-CB 3.35Å; V412-D416 PolarHBondContact O-N 3.12Å; V412-D443 HydrophobicContact CG2-CB 4.35Å; V412-A444 HydrophobicContact CG2-CB 4.19Å; V412-A447 HydrophobicContact CG2-CB 4.11Å
413V95.6Very high93.4Very high7 Ų731.3 Ų31.34%0.04216%0.155CC..Hα-helixtrans-65.6-43.7177.7170.90000112.4V374 R375 L395 E409 A410 I411 R415 D416 I417V374-V413 HydrophobicContact CG1-CG2 4.29Å; R375-V413 HydrophobicContact CG-CG2 4.15Å; L395-V413 HydrophobicContact CD1-CB 4.45Å; L395-V413 HydrophobicContact CD1-CG1 3.62Å; L395-V413 HydrophobicContact CD2-CG1 4.21Å; E409-V413 WeakPolarHBondContact O-CG2 3.17Å; E409-V413 PolarHBondContact O-N 3.19Å; A410-V413 PolarHBondContact O-N 3.33Å; I411-V413 VanDerWaalsContact C-N 3.28Å; I411-V413 PolarHBondContact O-N 2.93Å; V413-R415 VanDerWaalsContact C-N 3.34Å; V413-R415 PolarHBondContact O-N 3.45Å; V413-D416 PolarHBondContact O-N 3.32Å; V413-D416 VanDerWaalsContact O-N 3.12Å; V413-I417 HydrophobicContact CG1-CD1 4.09Å; V413-I417 WeakPolarHBondContact O-CG1 3.29Å; V413-I417 PolarHBondContact O-N 2.67Å
414I96Very high93.1Very high0 Ų033.8 Ų33.80%016%0.162CC..Hα-helixtrans-64.7-38.6-179.5-73.2170.1000111.4L395 I399 A410 I411 D416 I417 F418 I428 L432L395-I414 HydrophobicContact CB-CD1 4.15Å; L395-I414 HydrophobicContact CB-CG1 4.32Å; L395-I414 HydrophobicContact CD1-CG1 3.89Å; I399-I414 HydrophobicContact CD1-CD1 3.68Å; A410-I414 WeakPolarHBondContact O-CB 3.46Å; A410-I414 VanDerWaalsContact O-CG1 3.23Å; A410-I414 WeakPolarHBondContact O-CG1 3.39Å; A410-I414 PolarHBondContact O-N 3.28Å; I411-I414 PolarHBondContact O-N 3.07Å; I414-D416 PolarHBondContact O-N 3.48Å; I414-I417 WeakPolarHBondContact O-CB 3.37Å; I414-I417 PolarHBondContact O-N 2.67Å; I414-I417 VanDerWaalsContact O-N 3.15Å; I414-F418 HydrophobicContact CG2-CD1 4.14Å; I414-F418 HydrophobicContact CG2-CE1 3.81Å; I414-F418 HydrophobicContact CG2-CE2 4.24Å; I414-F418 HydrophobicContact CG2-CG 4.49Å; I414-F418 HydrophobicContact CG2-CZ 3.89Å; I414-F418 PolarHBondContact O-N 3.31Å; I414-I428 HydrophobicContact CD1-CD1 4.4Å; I414-I428 HydrophobicContact CG2-CD1 3.82Å; I414-L432 HydrophobicContact CD1-CD2 3.72Å; I414-L432 HydrophobicContact CG2-CD1 3.83Å
415R93.3Very high93Very high47 Ų4730.7 Ų30.718%0.17714%0.144CC..Hα-helixtrans-52.9-45.9171.7176.9-158.165-152.7-6.9110.9I411 V412 V413 F418 R419 A447 W450 I451I411-R415 PolarHBondContact O-N 3.05Å; V412-R415 WeakPolarHBondContact O-CB 3.35Å; V413-R415 VanDerWaalsContact C-N 3.34Å; V413-R415 PolarHBondContact O-N 3.45Å; R415-F418 WeakPolarHBondContact O-CB 3.3Å; R415-F418 PolarHBondContact O-N 3.49Å; R415-R419 WeakPolarHBondContact O-CG 3.45Å; R415-R419 PolarHBondContact O-N 3.07Å; R415-A447 HydrophobicContact CB-CB 4.11Å; R415-A447 HydrophobicContact CG-CB 4.41Å; R415-W450 HydrophobicContact CG-CD2 4.13Å; R415-W450 HydrophobicContact CG-CE3 3.6Å; R415-W450 HydrophobicContact CG-CZ3 3.96Å; R415-I451 HydrophobicContact CB-CD1 4.11Å; R415-I451 HydrophobicContact CB-CG1 4.26Å
416D92.6Very high92.6Very high42 Ų4229.6 Ų29.623%0.22514%0.141CC..Hα-helixtrans-69.8-35.2-178.5-63.9-15.3000111.5V412 V413 I414 R419 K420 I548V412-D416 PolarHBondContact O-N 3.12Å; V413-D416 PolarHBondContact O-N 3.32Å; V413-D416 VanDerWaalsContact O-N 3.12Å; I414-D416 PolarHBondContact O-N 3.48Å; D416-R419 PolarHBondContact O-N 3.19Å; D416-K420 PolarHBondContact O-N 3.09Å; D416-K420 VanDerWaalsContact O-N 3.09Å; D416-I548 HydrophobicContact CB-CD1 3.73Å
417I93.3Very high92.2Very high0 Ų034.7 Ų34.70%018%0.177CC..Hα-helixtrans-62-43.2170.4-65.1173.2000111.2A381 V392 L395 V413 I414 R419 K420 Y421 Y425A381-I417 HydrophobicContact CB-CD1 3.83Å; A381-I417 HydrophobicContact CB-CG1 4.04Å; V392-I417 HydrophobicContact CG2-CD1 4.12Å; V392-I417 HydrophobicContact CG2-CG2 3.93Å; L395-I417 HydrophobicContact CD1-CD1 3.62Å; V413-I417 HydrophobicContact CG1-CD1 4.09Å; V413-I417 WeakPolarHBondContact O-CG1 3.29Å; V413-I417 PolarHBondContact O-N 2.67Å; I414-I417 WeakPolarHBondContact O-CB 3.37Å; I414-I417 PolarHBondContact O-N 2.67Å; I414-I417 VanDerWaalsContact O-N 3.15Å; I417-R419 VanDerWaalsContact C-N 3.28Å; I417-R419 PolarHBondContact O-N 2.85Å; I417-K420 PolarHBondContact O-N 3.02Å; I417-K420 VanDerWaalsContact O-N 3.11Å; I417-Y421 HydrophobicContact CG2-CD2 4.01Å; I417-Y421 PolarHBondContact O-N 3.03Å; I417-Y425 HydrophobicContact CG2-CD2 3.98Å; I417-Y425 HydrophobicContact CG2-CE2 4.05Å
418F92.6Very high92Very high3 Ų335.1 Ų35.11%0.01318%0.179CC..Hα-helixtrans-63.3-34.3176.2-77.63.6000112.5I414 R415 K420 Y421 P422 I428 I429 L432 W450 I451 Y455I414-F418 HydrophobicContact CG2-CD1 4.14Å; I414-F418 HydrophobicContact CG2-CE1 3.81Å; I414-F418 HydrophobicContact CG2-CE2 4.24Å; I414-F418 HydrophobicContact CG2-CG 4.49Å; I414-F418 HydrophobicContact CG2-CZ 3.89Å; I414-F418 PolarHBondContact O-N 3.31Å; R415-F418 WeakPolarHBondContact O-CB 3.3Å; R415-F418 PolarHBondContact O-N 3.49Å; F418-K420 VanDerWaalsContact C-N 3.31Å; F418-Y421 CarbonylContact O-C 3.27Å; F418-P422 WeakPolarHBondContact O-CA 3.43Å; F418-I428 HydrophobicContact CE1-CD1 3.58Å; F418-I428 HydrophobicContact CE1-CG1 4.04Å; F418-I428 HydrophobicContact CZ-CD1 3.72Å; F418-I428 HydrophobicContact CZ-CG1 3.7Å; F418-I429 HydrophobicContact CE2-CD1 4.25Å; F418-I429 HydrophobicContact CE2-CG1 3.83Å; F418-I429 HydrophobicContact CZ-CD1 4.5Å; F418-I429 HydrophobicContact CZ-CG1 3.87Å; F418-L432 HydrophobicContact CE2-CD1 4.4Å; F418-L432 HydrophobicContact CZ-CD1 4.38Å; F418-W450 HydrophobicContact CB-CZ3 4.23Å; F418-I451 HydrophobicContact CD2-CD1 4.38Å; F418-I451 HydrophobicContact CD2-CG1 4.08Å; F418-I451 HydrophobicContact CD2-CG2 4.2Å; F418-I451 HydrophobicContact CE2-CD1 4.4Å; F418-I451 HydrophobicContact CE2-CG1 4.36Å; F418-I451 HydrophobicContact CE2-CG2 3.82Å; F418-Y455 HydrophobicContact CB-CE2 4.11Å; F418-Y455 HydrophobicContact CD2-CD2 4.02Å; F418-Y455 AromaticContact CD2-CE2 3.42Å; F418-Y455 HydrophobicContact CD2-CE2 3.42Å; F418-Y455 VanDerWaalsContact CD2-CE2 3.42Å; F418-Y455 HydrophobicContact CE2-CD2 4.29Å; F418-Y455 HydrophobicContact CE2-CE2 4.06Å; F418-Y455 HydrophobicContact CG-CE2 4.02Å
419R91.4Very high91.7Very high89 Ų8935.2 Ų35.234%0.33618%0.18SC..Hα-helixtrans-69.2-29.6173.9-71.7-177.462.9-171.80.4112.8R415 D416 I417 W450 L547 I548R415-R419 WeakPolarHBondContact O-CG 3.45Å; R415-R419 PolarHBondContact O-N 3.07Å; D416-R419 PolarHBondContact O-N 3.19Å; I417-R419 VanDerWaalsContact C-N 3.28Å; I417-R419 PolarHBondContact O-N 2.85Å; R419-W450 HydrophobicContact CG-CH2 3.37Å; R419-W450 HydrophobicContact CG-CZ2 3.49Å; R419-W450 VanDerWaalsContact CG-CZ2 3.49Å; R419-W450 HydrophobicContact CG-CZ3 4.21Å; R419-L547 WeakPolarHBondContact O-CD2 3.19Å; R419-I548 HydrophobicContact CB-CD1 3.69Å; R419-I548 HydrophobicContact CB-CG1 3.96Å; R419-I548 HydrophobicContact CG-CD1 4.4Å
420K91.2Very high91.4Very high38 Ų3837.9 Ų37.917%0.16520%0.203CC..Hα-helixtrans-80.2-40.5175.3-179.766.4178.4-176.10112.5D416 I417 F418 P422 I548D416-K420 PolarHBondContact O-N 3.09Å; D416-K420 VanDerWaalsContact O-N 3.09Å; I417-K420 PolarHBondContact O-N 3.02Å; I417-K420 VanDerWaalsContact O-N 3.11Å; F418-K420 VanDerWaalsContact C-N 3.31Å; K420-P422 WeakPolarHBondContact O-CD 3.21Å; K420-I548 VanDerWaalsContact CD-O 3.24Å; K420-I548 WeakPolarHBondContact CD-O 3.18Å; K420-I548 PolarHBondContact NZ-O 2.75Å
421Y91.7Very high91.1Very high25 Ų2539.7 Ų39.710%0.09821%0.214CC..SBendtrans-12471.7-176-54.1-67.4000110.8A381 E385 A388 I417 F418 K424 Y425A381-Y421 PolarHBondContact O-OH 3.44Å; A381-Y421 VanDerWaalsContact O-OH 3.11Å; E385-Y421 WeakPolarHBondContact CA-OH 3.28Å; E385-Y421 HydrophobicContact CB-CE1 4.38Å; E385-Y421 WeakPolarHBondContact CB-OH 3.37Å; E385-Y421 HydrophobicContact CG-CE1 4.46Å; E385-Y421 WeakPolarHBondContact CG-OH 3.38Å; A388-Y421 HydrophobicContact CB-CD2 4.17Å; A388-Y421 HydrophobicContact CB-CE2 3.65Å; I417-Y421 HydrophobicContact CG2-CD2 4.01Å; I417-Y421 PolarHBondContact O-N 3.03Å; F418-Y421 CarbonylContact O-C 3.27Å; Y421-K424 PolarHBondContact O-N 3.47Å; Y421-Y425 AromaticContact CD2-CE2 3.9Å; Y421-Y425 HydrophobicContact CD2-CE2 3.9Å; Y421-Y425 HydrophobicContact CG-CE2 4.06Å
422P88.1Confident90.8Very high71 Ų7139.7 Ų39.746%0.46121%0.214SC..THydrogen-bonded Turntrans-59.6142.1-178.725.3-34.1000111.1F418 K420 K424F418-P422 WeakPolarHBondContact O-CA 3.43Å; K420-P422 WeakPolarHBondContact O-CD 3.21Å; P422-K424 PolarHBondContact O-N 3.25Å
423N85.6Confident90.5Very high111 Ų11140.1 Ų40.159%0.59422%0.217SC*.THydrogen-bonded Turntrans60.114.1175.1-50.6-34.9000116.1E426 Y455N423-E426 VanDerWaalsContact CA-OE1 3.31Å; N423-E426 WeakPolarHBondContact CA-OE1 3.39Å; N423-E426 WeakPolarHBondContact CB-OE1 3.35Å; N423-Y455 PolarHBondContact N-OH 2.95Å; N423-Y455 WeakPolarHBondContact OD1-CE1 3.36Å
424K88.2Confident90.2Very high104 Ų10446.2 Ų46.245%0.45225%0.245SC..THydrogen-bonded Turntrans-94.4-34.7-177.7-168.1176177.7-168.40113.8E389 Y421 P422E389-K424 IonicContact OE1-NZ 3.61Å; Y421-K424 PolarHBondContact O-N 3.47Å; P422-K424 PolarHBondContact O-N 3.25Å
425Y88.8Confident89.8Confident15 Ų1546.5 Ų46.56%0.05925%0.247CC..SBendtrans-117.230.8-169.3-61.1-62.2000112.6A388 E389 V392 I417 Y421 S427 I428A388-Y425 HydrophobicContact CB-CE2 4.42Å; A388-Y425 VanDerWaalsContact CB-OH 3.27Å; A388-Y425 WeakPolarHBondContact CB-OH 3.44Å; E389-Y425 HydrophobicContact CG-CE1 3.63Å; E389-Y425 PolarHBondContact N-OH 3.41Å; V392-Y425 HydrophobicContact CG2-CD1 4.3Å; V392-Y425 HydrophobicContact CG2-CD2 4.26Å; V392-Y425 HydrophobicContact CG2-CE1 4.42Å; V392-Y425 HydrophobicContact CG2-CE2 4.37Å; V392-Y425 HydrophobicContact CG2-CG 4.23Å; I417-Y425 HydrophobicContact CG2-CD2 3.98Å; I417-Y425 HydrophobicContact CG2-CE2 4.05Å; Y421-Y425 AromaticContact CD2-CE2 3.9Å; Y421-Y425 HydrophobicContact CD2-CE2 3.9Å; Y421-Y425 HydrophobicContact CG-CE2 4.06Å; Y425-S427 PolarHBondContact O-N 3.19Å; Y425-I428 VanDerWaalsContact O-CG1 3.3Å; Y425-I428 WeakPolarHBondContact O-CG1 3.42Å; Y425-I428 PolarHBondContact O-N 3.25Å
426E85Confident89.5Confident43 Ų4345.4 Ų45.420%0.20124%0.244CC..G310 helixtrans-61.2-27.2-174.1-62.5177-172.100113.6N423 I428 I429 Y455 R458N423-E426 VanDerWaalsContact CA-OE1 3.31Å; N423-E426 WeakPolarHBondContact CA-OE1 3.39Å; N423-E426 WeakPolarHBondContact CB-OE1 3.35Å; E426-I428 PolarHBondContact O-N 3.44Å; E426-I429 HydrophobicContact CB-CD1 4.25Å; E426-I429 WeakPolarHBondContact O-CB 3.49Å; E426-I429 VanDerWaalsContact O-CG1 3.32Å; E426-I429 WeakPolarHBondContact O-CG1 3.36Å; E426-I429 PolarHBondContact O-N 3.21Å; E426-Y455 HydrophobicContact CG-CD1 4.35Å; E426-Y455 HydrophobicContact CG-CE1 4.26Å; E426-R458 IonicContact OE2-CZ 3.19Å; E426-R458 IonicContact OE2-NE 3.95Å; E426-R458 IonicContact OE2-NH1 2.7Å; E426-R458 PolarHBondContact OE2-NH1 3.35Å; E426-R458 IonicContact OE2-NH2 3.07Å
427S87Confident89.1Confident110 Ų11051.3 Ų51.377%0.76928%0.276SS*.G310 helixtrans-61.3-17.8-178.355.90000114.2Y425Y425-S427 PolarHBondContact O-N 3.19Å
428I90.9Very high88.8Confident9 Ų952.3 Ų52.35%0.04628%0.283CS..G310 helixtrans-89.9-13.7-176.482.2-173.9000112.5V392 L396 I414 F418 Y425 E426 A430 T431 L432V392-I428 HydrophobicContact CG1-CD1 3.7Å; V392-I428 HydrophobicContact CG1-CG2 4.03Å; L396-I428 HydrophobicContact CD1-CB 4.2Å; L396-I428 HydrophobicContact CD1-CG2 3.74Å; L396-I428 HydrophobicContact CD2-CB 4.06Å; I414-I428 HydrophobicContact CD1-CD1 4.4Å; I414-I428 HydrophobicContact CG2-CD1 3.82Å; F418-I428 HydrophobicContact CE1-CD1 3.58Å; F418-I428 HydrophobicContact CE1-CG1 4.04Å; F418-I428 HydrophobicContact CZ-CD1 3.72Å; F418-I428 HydrophobicContact CZ-CG1 3.7Å; Y425-I428 VanDerWaalsContact O-CG1 3.3Å; Y425-I428 WeakPolarHBondContact O-CG1 3.42Å; Y425-I428 PolarHBondContact O-N 3.25Å; E426-I428 PolarHBondContact O-N 3.44Å; I428-A430 VanDerWaalsContact C-N 3.28Å; I428-A430 PolarHBondContact O-N 3.24Å; I428-T431 WeakPolarHBondContact O-CB 2.96Å; I428-T431 PolarHBondContact O-N 3.19Å; I428-T431 VanDerWaalsContact O-N 3.08Å; I428-L432 HydrophobicContact CG1-CD1 4.28Å; I428-L432 HydrophobicContact CG1-CG 4.49Å; I428-L432 WeakPolarHBondContact O-CG 3.27Å; I428-L432 PolarHBondContact O-N 2.91Å; I428-L432 VanDerWaalsContact O-N 3.14Å
429I90.1Very high88.6Confident7 Ų752.6 Ų52.64%0.03628%0.284CS..Hα-helixtrans-60.2-39.1-172.5-66171.7000111.4F418 E426 T431 L432 C433 Y455 I459F418-I429 HydrophobicContact CE2-CD1 4.25Å; F418-I429 HydrophobicContact CE2-CG1 3.83Å; F418-I429 HydrophobicContact CZ-CD1 4.5Å; F418-I429 HydrophobicContact CZ-CG1 3.87Å; E426-I429 HydrophobicContact CB-CD1 4.25Å; E426-I429 WeakPolarHBondContact O-CB 3.49Å; E426-I429 VanDerWaalsContact O-CG1 3.32Å; E426-I429 WeakPolarHBondContact O-CG1 3.36Å; E426-I429 PolarHBondContact O-N 3.21Å; I429-T431 PolarHBondContact O-N 3.28Å; I429-L432 WeakPolarHBondContact O-CB 3.44Å; I429-L432 PolarHBondContact O-N 3.02Å; I429-L432 VanDerWaalsContact O-N 3.12Å; I429-C433 PolarHBondContact O-N 3.01Å; I429-C433 PolarHBondContact O-SG 3.14Å; I429-Y455 HydrophobicContact CD1-CD1 4Å; I429-Y455 HydrophobicContact CD1-CD2 4.2Å; I429-Y455 HydrophobicContact CD1-CG 3.68Å; I429-I459 HydrophobicContact CG2-CD1 3.54Å; I429-I459 HydrophobicContact CG2-CG1 3.56Å
430A89Confident88.6Confident61 Ų6153.6 Ų53.650%0.50430%0.296SS..Hα-helixtrans-58.1-47.3175.900000111.5I428 L432 C433 E434I428-A430 VanDerWaalsContact C-N 3.28Å; I428-A430 PolarHBondContact O-N 3.24Å; A430-L432 VanDerWaalsContact C-N 3.26Å; A430-L432 PolarHBondContact O-N 3.3Å; A430-C433 PolarHBondContact O-N 2.87Å; A430-C433 VanDerWaalsContact O-N 3.16Å; A430-E434 WeakPolarHBondContact O-CG 3.49Å; A430-E434 PolarHBondContact O-N 3.4Å
431T90Very high88.7Confident39 Ų3954.7 Ų54.724%0.23930%0.302CS..Hα-helixtrans-60.5-34.9176.1-49.20000112.2L396 I428 I429 N435L396-T431 HydrophobicContact CD2-CG2 4.14Å; I428-T431 WeakPolarHBondContact O-CB 2.96Å; I428-T431 PolarHBondContact O-N 3.19Å; I428-T431 VanDerWaalsContact O-N 3.08Å; I429-T431 PolarHBondContact O-N 3.28Å; T431-N435 PolarHBondContact O-ND2 3.41Å
432L91.3Very high88.8Confident0 Ų056.3 Ų56.30%032%0.316CS..Hα-helixtrans-67.3-44.2176.1-58.7-180000111.6I399 I411 I414 F418 I428 I429 A430 E434 N435 M448 I451I399-L432 HydrophobicContact CD1-CD2 3.64Å; I411-L432 HydrophobicContact CG1-CD2 4.3Å; I414-L432 HydrophobicContact CD1-CD2 3.72Å; I414-L432 HydrophobicContact CG2-CD1 3.83Å; F418-L432 HydrophobicContact CE2-CD1 4.4Å; F418-L432 HydrophobicContact CZ-CD1 4.38Å; I428-L432 HydrophobicContact CG1-CD1 4.28Å; I428-L432 HydrophobicContact CG1-CG 4.49Å; I428-L432 WeakPolarHBondContact O-CG 3.27Å; I428-L432 PolarHBondContact O-N 2.91Å; I428-L432 VanDerWaalsContact O-N 3.14Å; I429-L432 WeakPolarHBondContact O-CB 3.44Å; I429-L432 PolarHBondContact O-N 3.02Å; I429-L432 VanDerWaalsContact O-N 3.12Å; A430-L432 VanDerWaalsContact C-N 3.26Å; A430-L432 PolarHBondContact O-N 3.3Å; L432-E434 VanDerWaalsContact C-N 3.3Å; L432-E434 PolarHBondContact O-N 2.63Å; L432-N435 PolarHBondContact O-N 3.02Å; L432-N435 VanDerWaalsContact O-N 3.11Å; L432-M448 HydrophobicContact CB-CE 4.01Å; L432-M448 HydrophobicContact CB-SD 4.37Å; L432-M448 VanDerWaalsContact O-CE 3.29Å; L432-M448 WeakPolarHBondContact O-CE 3.48Å; L432-I451 HydrophobicContact CD1-CD1 4.04Å
433C89.4Confident89.2Confident21 Ų2156.3 Ų56.314%0.14231%0.312CS..Hα-helixtrans-66.8-30.7-179.4-610000112.4I429 A430 N435 L436 L465I429-C433 PolarHBondContact O-N 3.01Å; I429-C433 PolarHBondContact O-SG 3.14Å; A430-C433 PolarHBondContact O-N 2.87Å; A430-C433 VanDerWaalsContact O-N 3.16Å; C433-N435 PolarHBondContact O-N 3.39Å; C433-N435 VanDerWaalsContact O-N 3.14Å; C433-L436 HydrophobicContact CB-CD1 4.48Å; C433-L436 VanDerWaalsContact O-CD1 3.31Å; C433-L436 WeakPolarHBondContact O-CD1 3.47Å; C433-L436 WeakPolarHBondContact O-CG 3.33Å; C433-L436 PolarHBondContact O-N 2.99Å; C433-L465 HydrophobicContact CB-CD1 4.16Å
434E88.8Confident89.7Confident136 Ų13651 Ų5164%0.63628%0.284SS*.THydrogen-bonded Turntrans-65-11.5173.3-71.8172.7-168.400114.1A430 L432A430-E434 WeakPolarHBondContact O-CG 3.49Å; A430-E434 PolarHBondContact O-N 3.4Å; L432-E434 VanDerWaalsContact C-N 3.3Å; L432-E434 PolarHBondContact O-N 2.63Å
435N87.9Confident90Very high5 Ų548.5 Ų48.53%0.02727%0.271CS..THydrogen-bonded Turntrans-112.416.5-177.2-70.7-84.7000113.3I399 K402 V407 T431 L432 C433 D437 S438I399-N435 HydrophobicContact CG2-CB 4.49Å; I399-N435 WeakPolarHBondContact CG2-ND2 3.42Å; K402-N435 WeakPolarHBondContact CD-OD1 3.49Å; K402-N435 WeakPolarHBondContact CE-OD1 3.12Å; K402-N435 PolarHBondContact NZ-OD1 3.45Å; V407-N435 HydrophobicContact CG1-CB 4.05Å; T431-N435 PolarHBondContact O-ND2 3.41Å; L432-N435 PolarHBondContact O-N 3.02Å; L432-N435 VanDerWaalsContact O-N 3.11Å; C433-N435 PolarHBondContact O-N 3.39Å; C433-N435 VanDerWaalsContact O-N 3.14Å; N435-D437 VanDerWaalsContact C-N 3.26Å; N435-D437 PolarHBondContact O-N 3.34Å; N435-S438 WeakPolarHBondContact O-CB 3.22Å; N435-S438 PolarHBondContact O-N 3.27Å; N435-S438 VanDerWaalsContact O-N 3.14Å
436L85.8Confident90.4Very high24 Ų2448 Ų4813%0.12627%0.27CS..G310 helixtrans-57.9-36-178.7-75.3168.8000113.8C433 S438 L439 M448 L465 F469C433-L436 HydrophobicContact CB-CD1 4.48Å; C433-L436 VanDerWaalsContact O-CD1 3.31Å; C433-L436 WeakPolarHBondContact O-CD1 3.47Å; C433-L436 WeakPolarHBondContact O-CG 3.33Å; C433-L436 PolarHBondContact O-N 2.99Å; L436-S438 PolarHBondContact O-N 2.97Å; L436-L439 HydrophobicContact CD2-CD1 3.91Å; L436-L439 WeakPolarHBondContact O-CB 3.46Å; L436-L439 WeakPolarHBondContact O-CG 3.4Å; L436-L439 PolarHBondContact O-N 3.18Å; L436-L439 VanDerWaalsContact O-N 3.13Å; L436-M448 HydrophobicContact CD2-CE 3.96Å; L436-M448 HydrophobicContact CD2-CG 3.32Å; L436-M448 HydrophobicContact CD2-SD 3.97Å; L436-L465 HydrophobicContact CD1-CD1 4.05Å; L436-L465 HydrophobicContact CD1-CD2 3.32Å; L436-L465 HydrophobicContact CD1-CG 4.17Å; L436-F469 HydrophobicContact CD2-CE2 4.06Å; L436-F469 HydrophobicContact CD2-CZ 3.93Å
437D85.7Confident91Very high166 Ų16646 Ų4689%0.88826%0.261SS*.G310 helixtrans-63.4-15.9-179.2-58.6-30000113.3N435 L439N435-D437 VanDerWaalsContact C-N 3.26Å; N435-D437 PolarHBondContact O-N 3.34Å; D437-L439 VanDerWaalsContact C-N 3.33Å
438S86.2Confident91.4Very high21 Ų2140.7 Ų40.715%0.14722%0.224CC..G310 helixtrans-870.6179.8-52.90000113.7Q408 N435 L436Q408-S438 WeakPolarHBondContact CG-O 3.48Å; Q408-S438 PolarHBondContact NE2-O 3.4Å; Q408-S438 VanDerWaalsContact NE2-O 3.14Å; N435-S438 WeakPolarHBondContact O-CB 3.22Å; N435-S438 PolarHBondContact O-N 3.27Å; N435-S438 VanDerWaalsContact O-N 3.14Å; L436-S438 PolarHBondContact O-N 2.97Å
439L89.6Confident91.7Very high9 Ų940.3 Ų40.35%0.04722%0.222CC..  trans-95.6103.7-172.1-60.5-176.9000113Q408 I411 L436 D437 A444 R445 M448Q408-L439 HydrophobicContact CG-CD2 3.78Å; I411-L439 HydrophobicContact CD1-CD2 3.61Å; L436-L439 HydrophobicContact CD2-CD1 3.91Å; L436-L439 WeakPolarHBondContact O-CB 3.46Å; L436-L439 WeakPolarHBondContact O-CG 3.4Å; L436-L439 PolarHBondContact O-N 3.18Å; L436-L439 VanDerWaalsContact O-N 3.13Å; D437-L439 VanDerWaalsContact C-N 3.33Å; L439-A444 HydrophobicContact CD2-CB 3.91Å; L439-R445 HydrophobicContact CB-CG 3.89Å; L439-R445 PolarHBondContact O-NH1 3.41Å; L439-M448 HydrophobicContact CD1-CB 3.63Å; L439-M448 HydrophobicContact CD1-CE 4.05Å; L439-M448 HydrophobicContact CD1-CG 3.81Å
440D90.8Very high92Very high110 Ų11041.8 Ų41.859%0.58823%0.227SC*.  trans-113.7-25.3174.358.19000113.5Q408Q408-D440 PolarHBondContact NE2-OD1 3.39Å; Q408-D440 PolarHBondContact OE1-OD1 3.02Å
441E92.2Very high92.3Very high61 Ų6138.9 Ų38.929%0.28520%0.203SC..SBendtrans-81.7140.8178.9-66.6-174171.500113.3R371 D443 A444 R445R371-E441 IonicContact CZ-OE1 3.75Å; R371-E441 IonicContact NE-OE1 2.66Å; R371-E441 IonicContact NH2-OE1 3.66Å; R371-E441 PolarHBondContact NH2-OE1 2.79Å; R371-E441 IonicContact NH2-OE2 2.9Å; E441-D443 VanDerWaalsContact C-N 3.29Å; E441-D443 PolarHBondContact O-N 3.3Å; E441-A444 PolarHBondContact O-N 3.26Å; E441-R445 WeakPolarHBondContact O-CG 3.22Å; E441-R445 PolarHBondContact O-N 3.5Å
442P95Very high92.5Very high59 Ų5937 Ų3738%0.38319%0.192SC..Hα-helixtrans-63-33.2-176.525.1-34.9000113.2A446 S477 V480P442-A446 WeakPolarHBondContact O-CB 3.39Å; P442-A446 PolarHBondContact O-N 3.28Å; P442-S477 WeakPolarHBondContact CB-OG 3.24Å; P442-V480 HydrophobicContact CB-CG2 4.01Å; P442-V480 VanDerWaalsContact O-CG2 3.3Å; P442-V480 WeakPolarHBondContact O-CG2 3.38Å
443D95.3Very high92.6Very high72 Ų7237.1 Ų37.139%0.38519%0.192SC..Hα-helixtrans-67.7-41.8179-76.8-11.1000112V412 E441 A447 Q479V412-D443 HydrophobicContact CG2-CB 4.35Å; E441-D443 VanDerWaalsContact C-N 3.29Å; E441-D443 PolarHBondContact O-N 3.3Å; D443-A447 VanDerWaalsContact O-CB 3.27Å; D443-A447 WeakPolarHBondContact O-CB 3.41Å; D443-A447 PolarHBondContact O-N 3.18Å; D443-Q479 PolarHBondContact OD1-NE2 2.89Å
444A96.2Very high92.7Very high0 Ų038.5 Ų38.50%020%0.197CC..Hα-helixtrans-72.7-40.9178.700000111.7Q408 V412 L439 E441 A447 M448Q408-A444 HydrophobicContact CB-CB 3.65Å; Q408-A444 HydrophobicContact CG-CB 3.88Å; V412-A444 HydrophobicContact CG2-CB 4.19Å; L439-A444 HydrophobicContact CD2-CB 3.91Å; E441-A444 PolarHBondContact O-N 3.26Å; A444-A447 WeakPolarHBondContact O-CB 3.33Å; A444-A447 PolarHBondContact O-N 3.28Å; A444-M448 WeakPolarHBondContact O-CB 3.47Å; A444-M448 PolarHBondContact O-N 2.93Å
445R95.9Very high92.9Very high51 Ų5132.6 Ų32.619%0.19217%0.169CC..Hα-helixtrans-59.9-50.3172.7-67.9176.976.374.2-0111.2L439 E441 A447 M448 I449 F469 E476 V480L439-R445 HydrophobicContact CB-CG 3.89Å; L439-R445 PolarHBondContact O-NH1 3.41Å; E441-R445 WeakPolarHBondContact O-CG 3.22Å; E441-R445 PolarHBondContact O-N 3.5Å; R445-A447 VanDerWaalsContact C-N 3.29Å; R445-A447 PolarHBondContact O-N 3.3Å; R445-M448 PolarHBondContact O-N 3.47Å; R445-I449 WeakPolarHBondContact O-CB 3.49Å; R445-I449 WeakPolarHBondContact O-CD1 3.25Å; R445-I449 VanDerWaalsContact O-CG1 3.26Å; R445-I449 WeakPolarHBondContact O-CG1 3.49Å; R445-I449 PolarHBondContact O-N 3.28Å; R445-F469 HydrophobicContact CB-CE1 4.41Å; R445-F469 HydrophobicContact CG-CE1 4.42Å; R445-E476 IonicContact CZ-OE1 3.15Å; R445-E476 IonicContact NE-OE1 2.69Å; R445-E476 PolarHBondContact NE-OE1 2.87Å; R445-E476 IonicContact NE-OE2 3.28Å; R445-E476 PolarHBondContact NE-OE2 3.02Å; R445-E476 IonicContact NH2-OE1 2.63Å; R445-E476 PolarHBondContact NH2-OE1 2.86Å; R445-V480 HydrophobicContact CB-CG2 4.08Å
446A97Very high93Very high4 Ų432.4 Ų32.43%0.03317%0.168CC..Hα-helixtrans-60.3-40.1176.400000111.7P442 W450 Q479 V480 T483P442-A446 WeakPolarHBondContact O-CB 3.39Å; P442-A446 PolarHBondContact O-N 3.28Å; A446-W450 WeakPolarHBondContact O-CB 3.4Å; A446-W450 PolarHBondContact O-N 3.31Å; A446-Q479 HydrophobicContact CB-CG 4.13Å; A446-V480 HydrophobicContact CB-CG2 4.14Å; A446-T483 HydrophobicContact CB-CG2 4.48Å; A446-T483 WeakPolarHBondContact O-CG2 3.33Å
447A96.5Very high93.1Very high0 Ų036.9 Ų36.90%019%0.188CC..Hα-helixtrans-61.5-45.1176.400000112.5I411 V412 R415 D443 A444 R445 W450 I451I411-A447 HydrophobicContact CG2-CB 4.16Å; V412-A447 HydrophobicContact CG2-CB 4.11Å; R415-A447 HydrophobicContact CB-CB 4.11Å; R415-A447 HydrophobicContact CG-CB 4.41Å; D443-A447 VanDerWaalsContact O-CB 3.27Å; D443-A447 WeakPolarHBondContact O-CB 3.41Å; D443-A447 PolarHBondContact O-N 3.18Å; A444-A447 WeakPolarHBondContact O-CB 3.33Å; A444-A447 PolarHBondContact O-N 3.28Å; R445-A447 VanDerWaalsContact C-N 3.29Å; R445-A447 PolarHBondContact O-N 3.3Å; A447-W450 PolarHBondContact O-N 3.23Å; A447-I451 WeakPolarHBondContact O-CG1 3.47Å; A447-I451 PolarHBondContact O-N 3.46Å
448M96Very high93.2Very high0 Ų036.7 Ų36.70%018%0.175CC..Hα-helixtrans-65.2-48.5178.2-176.262.579.600112.4I411 L432 L436 L439 A444 R445 W450 I451 V452I411-M448 HydrophobicContact CD1-CE 3.66Å; I411-M448 HydrophobicContact CG1-CE 4.11Å; I411-M448 HydrophobicContact CG2-CB 4.24Å; I411-M448 HydrophobicContact CG2-CE 4.04Å; L432-M448 HydrophobicContact CB-CE 4.01Å; L432-M448 HydrophobicContact CB-SD 4.37Å; L432-M448 VanDerWaalsContact O-CE 3.29Å; L432-M448 WeakPolarHBondContact O-CE 3.48Å; L436-M448 HydrophobicContact CD2-CE 3.96Å; L436-M448 HydrophobicContact CD2-CG 3.32Å; L436-M448 HydrophobicContact CD2-SD 3.97Å; L439-M448 HydrophobicContact CD1-CB 3.63Å; L439-M448 HydrophobicContact CD1-CE 4.05Å; L439-M448 HydrophobicContact CD1-CG 3.81Å; A444-M448 WeakPolarHBondContact O-CB 3.47Å; A444-M448 PolarHBondContact O-N 2.93Å; R445-M448 PolarHBondContact O-N 3.47Å; M448-W450 PolarHBondContact O-N 2.95Å; M448-I451 WeakPolarHBondContact O-CA 3.37Å; M448-I451 WeakPolarHBondContact O-CB 3.17Å; M448-I451 PolarHBondContact O-N 3.47Å; M448-V452 HydrophobicContact CG-CG2 4.46Å; M448-V452 WeakPolarHBondContact O-CG2 3.41Å; M448-V452 PolarHBondContact O-N 3.31Å; M448-V452 HydrophobicContact SD-CG2 4.45Å
449I96.9Very high93.3Very high0 Ų036.1 Ų36.10%017%0.17CC..Hα-helixtrans-57.2-40.9177.6-70.1163.4000110.6R445 V452 G453 L466 F469 V480 T483 L484 A487R445-I449 WeakPolarHBondContact O-CB 3.49Å; R445-I449 WeakPolarHBondContact O-CD1 3.25Å; R445-I449 VanDerWaalsContact O-CG1 3.26Å; R445-I449 WeakPolarHBondContact O-CG1 3.49Å; R445-I449 PolarHBondContact O-N 3.28Å; I449-V452 PolarHBondContact O-N 3.13Å; I449-G453 PolarHBondContact O-N 3.21Å; I449-L466 HydrophobicContact CG2-CD2 4.04Å; I449-F469 HydrophobicContact CD1-CB 4.26Å; I449-F469 HydrophobicContact CD1-CD1 3.66Å; I449-F469 HydrophobicContact CD1-CD2 4.35Å; I449-F469 HydrophobicContact CD1-CE1 4.03Å; I449-F469 HydrophobicContact CD1-CG 3.86Å; I449-F469 HydrophobicContact CG1-CD1 3.97Å; I449-F469 HydrophobicContact CG1-CD2 3.83Å; I449-F469 HydrophobicContact CG1-CE1 4.07Å; I449-F469 HydrophobicContact CG1-CE2 3.97Å; I449-F469 HydrophobicContact CG1-CG 3.86Å; I449-F469 HydrophobicContact CG1-CZ 4.08Å; I449-V480 HydrophobicContact CD1-CG1 3.56Å; I449-T483 HydrophobicContact CB-CG2 4.32Å; I449-T483 HydrophobicContact CG2-CG2 4.02Å; I449-L484 HydrophobicContact CD1-CB 4.44Å; I449-L484 HydrophobicContact CG2-CB 4.1Å; I449-L484 HydrophobicContact CG2-CD1 4.01Å; I449-A487 HydrophobicContact CG2-CB 3.59Å; I449-A487 WeakPolarHBondContact O-CB 3.44Å
450W95.9Very high93.1Very high39 Ų3942.5 Ų42.515%0.14820%0.204CC..Hα-helixtrans-61.1-44.7173.8-178.399000111.8R415 F418 R419 A446 A447 M448 G453 E454 Y455 T483 K545R415-W450 HydrophobicContact CG-CD2 4.13Å; R415-W450 HydrophobicContact CG-CE3 3.6Å; R415-W450 HydrophobicContact CG-CZ3 3.96Å; F418-W450 HydrophobicContact CB-CZ3 4.23Å; R419-W450 HydrophobicContact CG-CH2 3.37Å; R419-W450 HydrophobicContact CG-CZ2 3.49Å; R419-W450 VanDerWaalsContact CG-CZ2 3.49Å; R419-W450 HydrophobicContact CG-CZ3 4.21Å; A446-W450 WeakPolarHBondContact O-CB 3.4Å; A446-W450 PolarHBondContact O-N 3.31Å; A447-W450 PolarHBondContact O-N 3.23Å; M448-W450 PolarHBondContact O-N 2.95Å; W450-G453 PolarHBondContact O-N 3.48Å; W450-E454 HydrophobicContact CD2-CB 4.36Å; W450-E454 HydrophobicContact CE3-CB 4.23Å; W450-E454 HydrophobicContact CH2-CB 4.26Å; W450-E454 HydrophobicContact CH2-CG 3.93Å; W450-E454 HydrophobicContact CZ2-CB 4.42Å; W450-E454 HydrophobicContact CZ2-CG 4.11Å; W450-E454 HydrophobicContact CZ3-CB 4.17Å; W450-E454 HydrophobicContact CZ3-CG 4.29Å; W450-E454 WeakPolarHBondContact O-CB 3.35Å; W450-E454 PolarHBondContact O-N 3.3Å; W450-Y455 HydrophobicContact CZ3-CE2 4.4Å; W450-T483 HydrophobicContact CB-CG2 3.91Å; W450-K545 HydrophobicContact CZ2-CD 4.17Å
451I95.3Very high93.1Very high0 Ų040.3 Ų40.30%019%0.193CC..Hα-helixtrans-60.9-47.2178.3-69169.2000109.9I411 R415 F418 L432 A447 M448 E454 Y455I411-I451 HydrophobicContact CG2-CD1 4.48Å; R415-I451 HydrophobicContact CB-CD1 4.11Å; R415-I451 HydrophobicContact CB-CG1 4.26Å; F418-I451 HydrophobicContact CD2-CD1 4.38Å; F418-I451 HydrophobicContact CD2-CG1 4.08Å; F418-I451 HydrophobicContact CD2-CG2 4.2Å; F418-I451 HydrophobicContact CE2-CD1 4.4Å; F418-I451 HydrophobicContact CE2-CG1 4.36Å; F418-I451 HydrophobicContact CE2-CG2 3.82Å; L432-I451 HydrophobicContact CD1-CD1 4.04Å; A447-I451 WeakPolarHBondContact O-CG1 3.47Å; A447-I451 PolarHBondContact O-N 3.46Å; M448-I451 WeakPolarHBondContact O-CA 3.37Å; M448-I451 WeakPolarHBondContact O-CB 3.17Å; M448-I451 PolarHBondContact O-N 3.47Å; I451-E454 PolarHBondContact O-N 3.19Å; I451-Y455 HydrophobicContact CG2-CD2 4.33Å; I451-Y455 PolarHBondContact O-N 2.86Å
452V94.7Very high93Very high0 Ų037.4 Ų37.40%018%0.179CC..Hα-helixtrans-60.7-48.4-180176.80000111M448 I449 E454 Y455 A456 I459 A462 L465 L466M448-V452 HydrophobicContact CG-CG2 4.46Å; M448-V452 WeakPolarHBondContact O-CG2 3.41Å; M448-V452 PolarHBondContact O-N 3.31Å; M448-V452 HydrophobicContact SD-CG2 4.45Å; I449-V452 PolarHBondContact O-N 3.13Å; V452-E454 PolarHBondContact O-N 3.04Å; V452-Y455 CarbonylContact O-C 3.58Å; V452-A456 VanDerWaalsContact O-CA 3.25Å; V452-A456 WeakPolarHBondContact O-CA 3.34Å; V452-A456 WeakPolarHBondContact O-CB 3.44Å; V452-A456 PolarHBondContact O-N 3.46Å; V452-I459 HydrophobicContact CB-CD1 4.23Å; V452-I459 HydrophobicContact CG1-CD1 4.19Å; V452-I459 HydrophobicContact CG2-CD1 4.19Å; V452-A462 HydrophobicContact CG1-CB 4.03Å; V452-L465 HydrophobicContact CG1-CB 4.36Å; V452-L465 HydrophobicContact CG2-CD1 4.26Å; V452-L466 HydrophobicContact CB-CD2 4.11Å; V452-L466 HydrophobicContact CG1-CD1 4.38Å; V452-L466 HydrophobicContact CG1-CD2 3.85Å; V452-L466 HydrophobicContact CG1-CG 3.82Å
453G93.3Very high92.9Very high1 Ų136.5 Ų36.51%0.0117%0.171CC..Hα-helixtrans-67.2-35.9177.800000113.9I449 W450 K494I449-G453 PolarHBondContact O-N 3.21Å; W450-G453 PolarHBondContact O-N 3.48Å; G453-K494 PolarHBondContact O-NZ 2.93Å; G453-K494 VanDerWaalsContact O-NZ 3.15Å
454E92.7Very high92.7Very high51 Ų5139 Ų3924%0.23818%0.18CC..Hα-helixtrans-70.9-36.8179-166.670.7165.800112.5W450 I451 V452 K490 K494 K545W450-E454 HydrophobicContact CD2-CB 4.36Å; W450-E454 HydrophobicContact CE3-CB 4.23Å; W450-E454 HydrophobicContact CH2-CB 4.26Å; W450-E454 HydrophobicContact CH2-CG 3.93Å; W450-E454 HydrophobicContact CZ2-CB 4.42Å; W450-E454 HydrophobicContact CZ2-CG 4.11Å; W450-E454 HydrophobicContact CZ3-CB 4.17Å; W450-E454 HydrophobicContact CZ3-CG 4.29Å; W450-E454 WeakPolarHBondContact O-CB 3.35Å; W450-E454 PolarHBondContact O-N 3.3Å; I451-E454 PolarHBondContact O-N 3.19Å; V452-E454 PolarHBondContact O-N 3.04Å; E454-K490 IonicContact OE2-NZ 3.07Å; E454-K490 PolarHBondContact OE2-NZ 3.42Å; E454-K494 VanDerWaalsContact C-NZ 3.33Å; E454-K494 PolarHBondContact O-NZ 3.37Å; E454-K545 IonicContact OE1-NZ 2.67Å; E454-K545 PolarHBondContact OE1-NZ 2.73Å; E454-K545 IonicContact OE2-NZ 3.94Å; E454-K545 PolarHBondContact OE2-NZ 3.39Å
455Y92Very high92.5Very high12 Ų1239.9 Ų39.95%0.04719%0.185CC..SBendtrans-111.622.5-177-65.4-84.2000113.2F418 N423 E426 I429 W450 I451 V452 E457 R458 I459F418-Y455 HydrophobicContact CB-CE2 4.11Å; F418-Y455 HydrophobicContact CD2-CD2 4.02Å; F418-Y455 AromaticContact CD2-CE2 3.42Å; F418-Y455 HydrophobicContact CD2-CE2 3.42Å; F418-Y455 VanDerWaalsContact CD2-CE2 3.42Å; F418-Y455 HydrophobicContact CE2-CD2 4.29Å; F418-Y455 HydrophobicContact CE2-CE2 4.06Å; F418-Y455 HydrophobicContact CG-CE2 4.02Å; N423-Y455 PolarHBondContact N-OH 2.95Å; N423-Y455 WeakPolarHBondContact OD1-CE1 3.36Å; E426-Y455 HydrophobicContact CG-CD1 4.35Å; E426-Y455 HydrophobicContact CG-CE1 4.26Å; I429-Y455 HydrophobicContact CD1-CD1 4Å; I429-Y455 HydrophobicContact CD1-CD2 4.2Å; I429-Y455 HydrophobicContact CD1-CG 3.68Å; W450-Y455 HydrophobicContact CZ3-CE2 4.4Å; I451-Y455 HydrophobicContact CG2-CD2 4.33Å; I451-Y455 PolarHBondContact O-N 2.86Å; V452-Y455 CarbonylContact O-C 3.58Å; Y455-E457 PolarHBondContact O-N 2.79Å; Y455-R458 PolarHBondContact O-N 3.11Å; Y455-I459 PolarHBondContact O-N 3.45Å
456A90.1Very high92.4Very high0 Ų037.5 Ų37.50%018%0.176CC..THydrogen-bonded Turntrans-53.2-25.5-178.500000115.5V452 R458 I459 A462 L491 K494 K495V452-A456 VanDerWaalsContact O-CA 3.25Å; V452-A456 WeakPolarHBondContact O-CA 3.34Å; V452-A456 WeakPolarHBondContact O-CB 3.44Å; V452-A456 PolarHBondContact O-N 3.46Å; A456-R458 PolarHBondContact O-N 3.34Å; A456-I459 VanDerWaalsContact O-O 3.11Å; A456-A462 HydrophobicContact CB-CB 4.21Å; A456-L491 HydrophobicContact CB-CD1 3.76Å; A456-K494 HydrophobicContact CB-CD 4.12Å; A456-K495 VanDerWaalsContact O-CE 3.29Å; A456-K495 WeakPolarHBondContact O-CE 3.48Å; A456-K495 PolarHBondContact O-NZ 3.4Å
457E88.4Confident92.3Very high119 Ų11941.6 Ų41.656%0.55619%0.194SC*.THydrogen-bonded Turntrans-70.2-17.6175.8-69.4175.8176.600113.1Y455 K494Y455-E457 PolarHBondContact O-N 2.79Å; E457-K494 HydrophobicContact CG-CB 4.07Å; E457-K494 HydrophobicContact CG-CD 3.98Å; E457-K494 HydrophobicContact CG-CG 4.1Å
458R86.8Confident92.1Very high162 Ų16244.6 Ų44.661%0.61122%0.215SC*.THydrogen-bonded Turntrans-109.8-6.1-178.8-59.9-50.7-173.782.710.7113.9E426 Y455 A456E426-R458 IonicContact OE2-CZ 3.19Å; E426-R458 IonicContact OE2-NE 3.95Å; E426-R458 IonicContact OE2-NH1 2.7Å; E426-R458 PolarHBondContact OE2-NH1 3.35Å; E426-R458 IonicContact OE2-NH2 3.07Å; Y455-R458 PolarHBondContact O-N 3.11Å; A456-R458 PolarHBondContact O-N 3.34Å
459I88.2Confident92Very high9 Ų945 Ų455%0.04622%0.217CC..  trans-108110176.8-56.3168.9000106.1I429 V452 Y455 A456 N461 A462 L465 K495I429-I459 HydrophobicContact CG2-CD1 3.54Å; I429-I459 HydrophobicContact CG2-CG1 3.56Å; V452-I459 HydrophobicContact CB-CD1 4.23Å; V452-I459 HydrophobicContact CG1-CD1 4.19Å; V452-I459 HydrophobicContact CG2-CD1 4.19Å; Y455-I459 PolarHBondContact O-N 3.45Å; A456-I459 VanDerWaalsContact O-O 3.11Å; I459-N461 WeakPolarHBondContact CG2-OD1 3.43Å; I459-A462 HydrophobicContact CB-CB 3.96Å; I459-A462 HydrophobicContact CG2-CB 3.94Å; I459-A462 WeakPolarHBondContact O-CB 3.33Å; I459-A462 PolarHBondContact O-N 3.4Å; I459-L465 HydrophobicContact CG2-CD1 4.03Å; I459-K495 PolarHBondContact O-NZ 3.4Å
460D86.9Confident91.9Very high142 Ų14245.1 Ų45.176%0.75922%0.218SC*.THydrogen-bonded Turntrans-63.8-47.6-175-69.8-27000110.6A462 K495D460-A462 VanDerWaalsContact C-N 3.31Å; D460-A462 PolarHBondContact O-N 3.5Å; D460-K495 PolarHBondContact O-NZ 3.16Å; D460-K495 VanDerWaalsContact O-NZ 3.14Å
461N89.1Confident91.8Very high65 Ų6550.8 Ų50.835%0.34825%0.246SC..THydrogen-bonded Turntrans-88.927.3179.367.1-33.5000114.3I459 D463 E464 L465I459-N461 WeakPolarHBondContact CG2-OD1 3.43Å; N461-D463 WeakPolarHBondContact CA-OD1 3.4Å; N461-D463 PolarHBondContact O-N 3.43Å; N461-E464 HydrophobicContact CB-CB 4.41Å; N461-E464 PolarHBondContact O-N 3.35Å; N461-L465 WeakPolarHBondContact O-CG 3.41Å; N461-L465 PolarHBondContact O-N 3.05Å
462A91Very high91.5Very high0 Ų051.9 Ų51.90%026%0.258CS..Hα-helixtrans-59.6-34.2-176.900000113.3V452 A456 I459 D460 L466 L491V452-A462 HydrophobicContact CG1-CB 4.03Å; A456-A462 HydrophobicContact CB-CB 4.21Å; I459-A462 HydrophobicContact CB-CB 3.96Å; I459-A462 HydrophobicContact CG2-CB 3.94Å; I459-A462 WeakPolarHBondContact O-CB 3.33Å; I459-A462 PolarHBondContact O-N 3.4Å; D460-A462 VanDerWaalsContact C-N 3.31Å; D460-A462 PolarHBondContact O-N 3.5Å; A462-L466 WeakPolarHBondContact O-CG 3.11Å; A462-L466 PolarHBondContact O-N 2.91Å; A462-L491 HydrophobicContact CB-CD1 4Å
463D92Very high91.5Very high40 Ų4052 Ų5221%0.21426%0.258CS..Hα-helixtrans-60.9-54.3173.353.1-21.7000111.8N461 L465 L466 E467 L491 T499N461-D463 WeakPolarHBondContact CA-OD1 3.4Å; N461-D463 PolarHBondContact O-N 3.43Å; D463-L465 VanDerWaalsContact C-N 3.27Å; D463-L465 PolarHBondContact O-N 3.11Å; D463-L466 PolarHBondContact O-N 2.89Å; D463-E467 VanDerWaalsContact O-CB 3.29Å; D463-E467 WeakPolarHBondContact O-CB 3.27Å; D463-E467 PolarHBondContact O-N 2.9Å; D463-L491 HydrophobicContact CB-CD2 4.05Å; D463-T499 HydrophobicContact CB-CG2 4.36Å
464E91.8Very high91.4Very high123 Ų12356.9 Ų56.958%0.57528%0.28SS*.Hα-helixtrans-58.2-41.5177.4-61.8179.717500111.3N461 E467 S468N461-E464 HydrophobicContact CB-CB 4.41Å; N461-E464 PolarHBondContact O-N 3.35Å; E464-E467 PolarHBondContact O-N 3.39Å; E464-S468 PolarHBondContact O-N 2.97Å
465L92.2Very high91.3Very high20 Ų2061.8 Ų61.811%0.10531%0.308CS..Hα-helixtrans-62.9-50.1178.1-66-175.4000111.5C433 L436 V452 I459 N461 D463 E467 S468 F469C433-L465 HydrophobicContact CB-CD1 4.16Å; L436-L465 HydrophobicContact CD1-CD1 4.05Å; L436-L465 HydrophobicContact CD1-CD2 3.32Å; L436-L465 HydrophobicContact CD1-CG 4.17Å; V452-L465 HydrophobicContact CG1-CB 4.36Å; V452-L465 HydrophobicContact CG2-CD1 4.26Å; I459-L465 HydrophobicContact CG2-CD1 4.03Å; N461-L465 WeakPolarHBondContact O-CG 3.41Å; N461-L465 PolarHBondContact O-N 3.05Å; D463-L465 VanDerWaalsContact C-N 3.27Å; D463-L465 PolarHBondContact O-N 3.11Å; L465-E467 VanDerWaalsContact C-N 3.35Å; L465-S468 PolarHBondContact O-N 3.22Å; L465-S468 PolarHBondContact O-OG 3.28Å; L465-F469 WeakPolarHBondContact O-CD2 3.49Å; L465-F469 PolarHBondContact O-N 2.67Å
466L94.6Very high91.4Very high0 Ų062.7 Ų62.70%031%0.313CS..Hα-helixtrans-69.6-32.1-180-67.8-174.6000112.7I449 V452 A462 D463 S468 F469 L470 L484 A487 I488 L491 L502I449-L466 HydrophobicContact CG2-CD2 4.04Å; V452-L466 HydrophobicContact CB-CD2 4.11Å; V452-L466 HydrophobicContact CG1-CD1 4.38Å; V452-L466 HydrophobicContact CG1-CD2 3.85Å; V452-L466 HydrophobicContact CG1-CG 3.82Å; A462-L466 WeakPolarHBondContact O-CG 3.11Å; A462-L466 PolarHBondContact O-N 2.91Å; D463-L466 PolarHBondContact O-N 2.89Å; L466-S468 VanDerWaalsContact C-N 3.35Å; L466-F469 PolarHBondContact O-N 2.98Å; L466-L470 PolarHBondContact O-N 3.17Å; L466-L484 HydrophobicContact CB-CD1 4.32Å; L466-L484 HydrophobicContact CD2-CD1 3.99Å; L466-A487 HydrophobicContact CD1-CB 4.01Å; L466-A487 HydrophobicContact CD2-CB 4.11Å; L466-I488 HydrophobicContact CB-CG1 4.05Å; L466-I488 HydrophobicContact CD1-CG1 3.95Å; L466-L491 HydrophobicContact CD1-CB 4.1Å; L466-L491 HydrophobicContact CD1-CD2 3.84Å; L466-L502 HydrophobicContact CB-CD2 4.32Å
467E94.5Very high91.6Very high90 Ų9064.9 Ų64.942%0.42133%0.328SS..Hα-helixtrans-61.2-43.7173.5-172.5170.8-158.800111.2D463 E464 L465 F469 L470 E471 L502D463-E467 VanDerWaalsContact O-CB 3.29Å; D463-E467 WeakPolarHBondContact O-CB 3.27Å; D463-E467 PolarHBondContact O-N 2.9Å; E464-E467 PolarHBondContact O-N 3.39Å; L465-E467 VanDerWaalsContact C-N 3.35Å; E467-F469 VanDerWaalsContact C-N 3.26Å; E467-F469 PolarHBondContact O-N 3.47Å; E467-L470 WeakPolarHBondContact O-CA 3.32Å; E467-L470 WeakPolarHBondContact O-CB 3.45Å; E467-L470 PolarHBondContact O-N 3.42Å; E467-E471 PolarHBondContact O-N 2.87Å; E467-L502 HydrophobicContact CB-CD1 3.81Å; E467-L502 HydrophobicContact CG-CD1 4.02Å
468S92.1Very high91.9Very high64 Ų6461.8 Ų61.845%0.44832%0.318SS..Hα-helixtrans-59.4-34.4176.477.10000113.5E464 L465 L466E464-S468 PolarHBondContact O-N 2.97Å; L465-S468 PolarHBondContact O-N 3.22Å; L465-S468 PolarHBondContact O-OG 3.28Å; L466-S468 VanDerWaalsContact C-N 3.35Å
469F93.7Very high92.3Very high7 Ų758.2 Ų58.23%0.03131%0.308CS..Hα-helixtrans-74.2-29.3172.6-73.3-78.1000112.4L436 R445 I449 L465 L466 E467 L484L436-F469 HydrophobicContact CD2-CE2 4.06Å; L436-F469 HydrophobicContact CD2-CZ 3.93Å; R445-F469 HydrophobicContact CB-CE1 4.41Å; R445-F469 HydrophobicContact CG-CE1 4.42Å; I449-F469 HydrophobicContact CD1-CB 4.26Å; I449-F469 HydrophobicContact CD1-CD1 3.66Å; I449-F469 HydrophobicContact CD1-CD2 4.35Å; I449-F469 HydrophobicContact CD1-CE1 4.03Å; I449-F469 HydrophobicContact CD1-CG 3.86Å; I449-F469 HydrophobicContact CG1-CD1 3.97Å; I449-F469 HydrophobicContact CG1-CD2 3.83Å; I449-F469 HydrophobicContact CG1-CE1 4.07Å; I449-F469 HydrophobicContact CG1-CE2 3.97Å; I449-F469 HydrophobicContact CG1-CG 3.86Å; I449-F469 HydrophobicContact CG1-CZ 4.08Å; L465-F469 WeakPolarHBondContact O-CD2 3.49Å; L465-F469 PolarHBondContact O-N 2.67Å; L466-F469 PolarHBondContact O-N 2.98Å; E467-F469 VanDerWaalsContact C-N 3.26Å; E467-F469 PolarHBondContact O-N 3.47Å; F469-L484 HydrophobicContact CB-CD1 3.97Å; F469-L484 HydrophobicContact CB-CD2 3.88Å
470L94.7Very high92.7Very high3 Ų357.8 Ų57.82%0.01631%0.306CS..Hα-helixtrans-75-31.9-179.3-169.168.3000112.7L466 E467 G472 F473 L484 I488 L502 Q505 V506 L509L466-L470 PolarHBondContact O-N 3.17Å; E467-L470 WeakPolarHBondContact O-CA 3.32Å; E467-L470 WeakPolarHBondContact O-CB 3.45Å; E467-L470 PolarHBondContact O-N 3.42Å; L470-G472 PolarHBondContact O-N 3.41Å; L470-F473 HydrophobicContact CD1-CB 4.2Å; L470-F473 HydrophobicContact CD1-CD2 3.8Å; L470-F473 HydrophobicContact CD1-CE2 4.48Å; L470-F473 HydrophobicContact CD1-CG 4.22Å; L470-F473 WeakPolarHBondContact O-CB 3.32Å; L470-F473 PolarHBondContact O-N 3.18Å; L470-L484 HydrophobicContact CB-CD2 4.35Å; L470-L484 HydrophobicContact CD1-CD2 4.15Å; L470-I488 HydrophobicContact CB-CD1 4.38Å; L470-I488 HydrophobicContact CD1-CD1 3.91Å; L470-I488 HydrophobicContact CD2-CD1 4.05Å; L470-I488 HydrophobicContact CG-CD1 4.36Å; L470-L502 HydrophobicContact CD2-CD1 3.49Å; L470-L502 VanDerWaalsContact CD2-CD1 3.49Å; L470-L502 HydrophobicContact CD2-CG 4.28Å; L470-Q505 HydrophobicContact CD2-CB 4.05Å; L470-Q505 HydrophobicContact CD2-CG 3.85Å; L470-V506 HydrophobicContact CD1-CB 3.78Å; L470-V506 HydrophobicContact CD1-CG2 3.67Å; L470-V506 HydrophobicContact CD2-CB 4.36Å; L470-L509 HydrophobicContact CD1-CD1 3.74Å; L470-L509 HydrophobicContact CG-CD1 4.06Å
471E92.9Very high93.2Very high158 Ų15851.9 Ų51.974%0.73827%0.274SS*.Hα-helixtrans-55.1-36.4174.8-69.6-175.7169.900112.1E467E467-E471 PolarHBondContact O-N 2.87Å
472G90.2Very high93.6Very high24 Ų2450 Ų5025%0.24726%0.263CS..THydrogen-bonded Turntrans-9314.8176.700000115.2L470 H474 D475 E476L470-G472 PolarHBondContact O-N 3.41Å; G472-H474 VanDerWaalsContact C-N 3.29Å; G472-H474 PolarHBondContact O-N 3.2Å; G472-H474 VanDerWaalsContact O-N 3.08Å; G472-D475 PolarHBondContact O-N 3.04Å; G472-E476 PolarHBondContact O-N 3.34Å
473F93.5Very high93.9Very high2 Ų251.3 Ų51.31%0.00927%0.271CS..THydrogen-bonded Turntrans-51.4-40.9-166.6-175.9-99000115L470 D475 E476 Q481 L484 V506 L509 L519L470-F473 HydrophobicContact CD1-CB 4.2Å; L470-F473 HydrophobicContact CD1-CD2 3.8Å; L470-F473 HydrophobicContact CD1-CE2 4.48Å; L470-F473 HydrophobicContact CD1-CG 4.22Å; L470-F473 WeakPolarHBondContact O-CB 3.32Å; L470-F473 PolarHBondContact O-N 3.18Å; F473-D475 VanDerWaalsContact C-N 3.34Å; F473-E476 PolarHBondContact O-N 3.05Å; F473-Q481 HydrophobicContact CD2-CB 4.49Å; F473-Q481 HydrophobicContact CD2-CG 4.23Å; F473-Q481 HydrophobicContact CE1-CG 4.34Å; F473-Q481 HydrophobicContact CE2-CB 3.82Å; F473-Q481 HydrophobicContact CE2-CG 3.99Å; F473-Q481 HydrophobicContact CZ-CB 3.91Å; F473-Q481 HydrophobicContact CZ-CG 4.07Å; F473-Q481 WeakPolarHBondContact O-CG 3.3Å; F473-Q481 PolarHBondContact O-NE2 3.32Å; F473-L484 HydrophobicContact CD2-CD2 3.94Å; F473-V506 HydrophobicContact CE2-CG2 4.06Å; F473-L509 HydrophobicContact CB-CD1 4.07Å; F473-L509 HydrophobicContact CD1-CB 3.76Å; F473-L509 HydrophobicContact CD1-CD1 4.18Å; F473-L509 HydrophobicContact CD1-CG 4.41Å; F473-L509 HydrophobicContact CE1-CB 3.76Å; F473-L509 HydrophobicContact CG-CB 4.44Å; F473-L509 HydrophobicContact CG-CD1 4.11Å; F473-L509 HydrophobicContact CZ-CB 4.44Å; F473-L519 HydrophobicContact CE1-CD2 4.03Å; F473-L519 HydrophobicContact CZ-CD1 4.25Å; F473-L519 HydrophobicContact CZ-CD2 3.75Å; F473-L519 HydrophobicContact CZ-CG 4.43Å
474H91.2Very high94.1Very high103 Ų10349.4 Ų49.448%0.47726%0.261SS..THydrogen-bonded Turntrans-73.8-24.8-178.3-68.3-58.5000113.9G472 E476 L509G472-H474 VanDerWaalsContact C-N 3.29Å; G472-H474 PolarHBondContact O-N 3.2Å; G472-H474 VanDerWaalsContact O-N 3.08Å; H474-E476 VanDerWaalsContact C-N 3.34Å; H474-L509 VanDerWaalsContact NE2-CD2 3.28Å; H474-L509 WeakPolarHBondContact NE2-CD2 3.39Å
475D91.8Very high94.4Very high155 Ų15543.6 Ų43.683%0.82923%0.234SC*.THydrogen-bonded Turntrans-84.8-14.1178.5-63.1-35.1000111.9G472 F473G472-D475 PolarHBondContact O-N 3.04Å; F473-D475 VanDerWaalsContact C-N 3.34Å
476E93.9Very high94.6Very high31 Ų3143.7 Ų43.715%0.14524%0.236CC..SBendtrans-74.9152179.2-70.7-64.7175.100113.7R445 G472 F473 H474 V480 Q481R445-E476 IonicContact CZ-OE1 3.15Å; R445-E476 IonicContact NE-OE1 2.69Å; R445-E476 PolarHBondContact NE-OE1 2.87Å; R445-E476 IonicContact NE-OE2 3.28Å; R445-E476 PolarHBondContact NE-OE2 3.02Å; R445-E476 IonicContact NH2-OE1 2.63Å; R445-E476 PolarHBondContact NH2-OE1 2.86Å; G472-E476 PolarHBondContact O-N 3.34Å; F473-E476 PolarHBondContact O-N 3.05Å; H474-E476 VanDerWaalsContact C-N 3.34Å; E476-V480 HydrophobicContact CB-CB 4.1Å; E476-V480 HydrophobicContact CB-CG1 3.92Å; E476-V480 HydrophobicContact CG-CG1 3.83Å; E476-V480 WeakPolarHBondContact OE2-CG1 3.3Å; E476-Q481 HydrophobicContact CB-CG 3.96Å; E476-Q481 PolarHBondContact O-NE2 3.2Å
477S94.4Very high94.7Very high46 Ų4643.8 Ų43.832%0.32224%0.236SC..  trans-64152.2171.6730000111.6P442 Q479 V480 Q481P442-S477 WeakPolarHBondContact CB-OG 3.24Å; S477-Q479 PolarHBondContact O-N 3.48Å; S477-Q479 VanDerWaalsContact O-N 3.12Å; S477-V480 WeakPolarHBondContact O-CA 3.35Å; S477-V480 WeakPolarHBondContact O-CB 3.48Å; S477-V480 PolarHBondContact O-N 3.47Å; S477-V480 VanDerWaalsContact OG-CG2 3.32Å; S477-V480 WeakPolarHBondContact OG-CG2 3.49Å; S477-V480 PolarHBondContact OG-N 2.91Å; S477-Q481 WeakPolarHBondContact O-CG 3.27Å; S477-Q481 PolarHBondContact O-N 3.38Å
478T95Very high94.8Very high54 Ų5439.5 Ų39.533%0.33122%0.216SC..Hα-helixtrans-53.3-37.3177-56.20000112.9V480 Q481 L482 N516T478-V480 PolarHBondContact O-N 2.82Å; T478-Q481 PolarHBondContact O-N 3.49Å; T478-L482 HydrophobicContact CG2-CD1 3.92Å; T478-L482 HydrophobicContact CG2-CG 4.26Å; T478-L482 VanDerWaalsContact O-CB 3.31Å; T478-L482 WeakPolarHBondContact O-CB 3.42Å; T478-L482 VanDerWaalsContact O-CG 3.25Å; T478-L482 WeakPolarHBondContact O-CG 3.27Å; T478-L482 PolarHBondContact O-N 3.33Å; T478-N516 VanDerWaalsContact CG2-ND2 3.28Å; T478-N516 WeakPolarHBondContact CG2-ND2 3.37Å
479Q95.4Very high95Very high87 Ų8736.5 Ų36.541%0.40720%0.195SC..Hα-helixtrans-61.1-45.1176178.8178.3-70.100111.8D443 A446 S477 T483D443-Q479 PolarHBondContact OD1-NE2 2.89Å; A446-Q479 HydrophobicContact CB-CG 4.13Å; S477-Q479 PolarHBondContact O-N 3.48Å; S477-Q479 VanDerWaalsContact O-N 3.12Å; Q479-T483 WeakPolarHBondContact O-CB 3.44Å; Q479-T483 PolarHBondContact O-N 3.06Å; Q479-T483 VanDerWaalsContact O-N 3.08Å; Q479-T483 PolarHBondContact O-OG1 3.19Å
480V96.8Very high95.1Very high0 Ų036.6 Ų36.60%020%0.195CC..Hα-helixtrans-67.4-46.7178.7173.80000110.1P442 R445 A446 I449 E476 S477 T478 L482 T483 L484P442-V480 HydrophobicContact CB-CG2 4.01Å; P442-V480 VanDerWaalsContact O-CG2 3.3Å; P442-V480 WeakPolarHBondContact O-CG2 3.38Å; R445-V480 HydrophobicContact CB-CG2 4.08Å; A446-V480 HydrophobicContact CB-CG2 4.14Å; I449-V480 HydrophobicContact CD1-CG1 3.56Å; E476-V480 HydrophobicContact CB-CB 4.1Å; E476-V480 HydrophobicContact CB-CG1 3.92Å; E476-V480 HydrophobicContact CG-CG1 3.83Å; E476-V480 WeakPolarHBondContact OE2-CG1 3.3Å; S477-V480 WeakPolarHBondContact O-CA 3.35Å; S477-V480 WeakPolarHBondContact O-CB 3.48Å; S477-V480 PolarHBondContact O-N 3.47Å; S477-V480 VanDerWaalsContact OG-CG2 3.32Å; S477-V480 WeakPolarHBondContact OG-CG2 3.49Å; S477-V480 PolarHBondContact OG-N 2.91Å; T478-V480 PolarHBondContact O-N 2.82Å; V480-L482 PolarHBondContact O-N 3.26Å; V480-T483 PolarHBondContact O-N 3.48Å; V480-T483 VanDerWaalsContact O-N 3.12Å; V480-L484 VanDerWaalsContact O-CB 3.3Å; V480-L484 WeakPolarHBondContact O-CB 3.37Å; V480-L484 PolarHBondContact O-N 2.95Å
481Q97.2Very high95.1Very high18 Ų1836.4 Ų36.48%0.08420%0.195CC..Hα-helixtrans-55.5-48.5175.9-68.4171.7-25.600112.5F473 E476 S477 T478 T483 L484 L485 L519F473-Q481 HydrophobicContact CD2-CB 4.49Å; F473-Q481 HydrophobicContact CD2-CG 4.23Å; F473-Q481 HydrophobicContact CE1-CG 4.34Å; F473-Q481 HydrophobicContact CE2-CB 3.82Å; F473-Q481 HydrophobicContact CE2-CG 3.99Å; F473-Q481 HydrophobicContact CZ-CB 3.91Å; F473-Q481 HydrophobicContact CZ-CG 4.07Å; F473-Q481 WeakPolarHBondContact O-CG 3.3Å; F473-Q481 PolarHBondContact O-NE2 3.32Å; E476-Q481 HydrophobicContact CB-CG 3.96Å; E476-Q481 PolarHBondContact O-NE2 3.2Å; S477-Q481 WeakPolarHBondContact O-CG 3.27Å; S477-Q481 PolarHBondContact O-N 3.38Å; T478-Q481 PolarHBondContact O-N 3.49Å; Q481-T483 VanDerWaalsContact C-N 3.29Å; Q481-T483 PolarHBondContact O-N 2.68Å; Q481-L484 PolarHBondContact O-N 3.43Å; Q481-L485 WeakPolarHBondContact O-CB 3.32Å; Q481-L485 PolarHBondContact O-N 3.34Å; Q481-L519 HydrophobicContact CB-CD1 4.2Å; Q481-L519 HydrophobicContact CB-CD2 3.79Å; Q481-L519 HydrophobicContact CG-CD2 4.35Å
482L96.4Very high95.1Very high24 Ų2430.8 Ų30.813%0.12617%0.168CC..Hα-helixtrans-61.7-38.8177.7-78.2171.3000112T478 V480 T486 L519 R522T478-L482 HydrophobicContact CG2-CD1 3.92Å; T478-L482 HydrophobicContact CG2-CG 4.26Å; T478-L482 VanDerWaalsContact O-CB 3.31Å; T478-L482 WeakPolarHBondContact O-CB 3.42Å; T478-L482 VanDerWaalsContact O-CG 3.25Å; T478-L482 WeakPolarHBondContact O-CG 3.27Å; T478-L482 PolarHBondContact O-N 3.33Å; V480-L482 PolarHBondContact O-N 3.26Å; L482-T486 PolarHBondContact O-N 3.36Å; L482-T486 PolarHBondContact O-OG1 2.85Å; L482-L519 HydrophobicContact CD2-CB 4.19Å; L482-L519 HydrophobicContact CD2-CD1 3.82Å; L482-L519 HydrophobicContact CG-CD1 4.22Å; L482-R522 HydrophobicContact CD2-CB 4.33Å
483T97.1Very high95.2Very high29 Ų2930.7 Ų30.718%0.17816%0.161CC..Hα-helixtrans-72.8-39180-53.90000111.1A446 I449 W450 Q479 V480 Q481 T486 A487A446-T483 HydrophobicContact CB-CG2 4.48Å; A446-T483 WeakPolarHBondContact O-CG2 3.33Å; I449-T483 HydrophobicContact CB-CG2 4.32Å; I449-T483 HydrophobicContact CG2-CG2 4.02Å; W450-T483 HydrophobicContact CB-CG2 3.91Å; Q479-T483 WeakPolarHBondContact O-CB 3.44Å; Q479-T483 PolarHBondContact O-N 3.06Å; Q479-T483 VanDerWaalsContact O-N 3.08Å; Q479-T483 PolarHBondContact O-OG1 3.19Å; V480-T483 PolarHBondContact O-N 3.48Å; V480-T483 VanDerWaalsContact O-N 3.12Å; Q481-T483 VanDerWaalsContact C-N 3.29Å; Q481-T483 PolarHBondContact O-N 2.68Å; T483-T486 PolarHBondContact O-N 3.05Å; T483-A487 VanDerWaalsContact O-CB 3.29Å; T483-A487 WeakPolarHBondContact O-CB 3.49Å; T483-A487 PolarHBondContact O-N 2.61Å
484L97.7Very high95.1Very high0 Ų032.4 Ų32.40%017%0.169CC..Hα-helixtrans-65.7-44.9176.4-176.756.2000112.2I449 L466 F469 L470 F473 V480 Q481 T486 A487 I488I449-L484 HydrophobicContact CD1-CB 4.44Å; I449-L484 HydrophobicContact CG2-CB 4.1Å; I449-L484 HydrophobicContact CG2-CD1 4.01Å; L466-L484 HydrophobicContact CB-CD1 4.32Å; L466-L484 HydrophobicContact CD2-CD1 3.99Å; F469-L484 HydrophobicContact CB-CD1 3.97Å; F469-L484 HydrophobicContact CB-CD2 3.88Å; L470-L484 HydrophobicContact CB-CD2 4.35Å; L470-L484 HydrophobicContact CD1-CD2 4.15Å; F473-L484 HydrophobicContact CD2-CD2 3.94Å; V480-L484 VanDerWaalsContact O-CB 3.3Å; V480-L484 WeakPolarHBondContact O-CB 3.37Å; V480-L484 PolarHBondContact O-N 2.95Å; Q481-L484 PolarHBondContact O-N 3.43Å; L484-T486 VanDerWaalsContact C-N 3.33Å; L484-T486 PolarHBondContact O-N 2.9Å; L484-A487 PolarHBondContact O-N 3.31Å; L484-A487 VanDerWaalsContact O-N 3.17Å; L484-I488 HydrophobicContact CD1-CD1 3.73Å; L484-I488 HydrophobicContact CD1-CG1 4.02Å; L484-I488 HydrophobicContact CG-CD1 3.89Å; L484-I488 WeakPolarHBondContact O-CG1 3.45Å; L484-I488 PolarHBondContact O-N 2.72Å
485L97.5Very high95Very high0 Ų029.3 Ų29.30%015%0.154CC..Hα-helixtrans-54.1-50.8172.2172.461.7000110.9Q481 A487 V489 V506 L507 A510 L519 R522 Y526Q481-L485 WeakPolarHBondContact O-CB 3.32Å; Q481-L485 PolarHBondContact O-N 3.34Å; L485-A487 PolarHBondContact O-N 3.49Å; L485-V489 HydrophobicContact CD1-CG2 4.3Å; L485-V489 VanDerWaalsContact O-CG2 3.28Å; L485-V489 WeakPolarHBondContact O-CG2 2.97Å; L485-V489 PolarHBondContact O-N 3.14Å; L485-V489 VanDerWaalsContact O-N 3.09Å; L485-V506 HydrophobicContact CB-CG2 4.19Å; L485-V506 HydrophobicContact CD1-CG1 3.95Å; L485-V506 HydrophobicContact CD1-CG2 3.96Å; L485-L507 HydrophobicContact CD1-CD2 3.99Å; L485-A510 HydrophobicContact CD1-CB 4.4Å; L485-A510 HydrophobicContact CD2-CB 4.18Å; L485-L519 HydrophobicContact CB-CD1 4.39Å; L485-L519 HydrophobicContact CD2-CD1 3.89Å; L485-R522 HydrophobicContact CD2-CB 4.08Å; L485-R522 HydrophobicContact CD2-CG 3.93Å; L485-Y526 HydrophobicContact CD1-CD2 4.09Å; L485-Y526 HydrophobicContact CD2-CD2 4.04Å; L485-Y526 HydrophobicContact CD2-CE2 4.26Å; L485-Y526 HydrophobicContact CG-CD2 3.8Å; L485-Y526 HydrophobicContact CG-CE2 3.95Å
486T96.3Very high94.7Very high23 Ų2325.2 Ų25.214%0.14114%0.136CC..Hα-helixtrans-64-40.8177.9-63.80000112L482 T483 L484 V489 K490 Y526L482-T486 PolarHBondContact O-N 3.36Å; L482-T486 PolarHBondContact O-OG1 2.85Å; T483-T486 PolarHBondContact O-N 3.05Å; L484-T486 VanDerWaalsContact C-N 3.33Å; L484-T486 PolarHBondContact O-N 2.9Å; T486-V489 PolarHBondContact O-N 3.38Å; T486-K490 HydrophobicContact CG2-CD 4.27Å; T486-K490 VanDerWaalsContact O-CG 3.27Å; T486-K490 WeakPolarHBondContact O-CG 3.34Å; T486-K490 PolarHBondContact O-N 3.14Å; T486-Y526 WeakPolarHBondContact CG2-OH 3.49Å; T486-Y526 PolarHBondContact OG1-OH 3.03Å
487A96.9Very high94.2Very high2 Ų228.5 Ų28.52%0.01716%0.162CC..Hα-helixtrans-65.2-42.6-179.600000112.5I449 L466 T483 L484 L485 K490 L491I449-A487 HydrophobicContact CG2-CB 3.59Å; I449-A487 WeakPolarHBondContact O-CB 3.44Å; L466-A487 HydrophobicContact CD1-CB 4.01Å; L466-A487 HydrophobicContact CD2-CB 4.11Å; T483-A487 VanDerWaalsContact O-CB 3.29Å; T483-A487 WeakPolarHBondContact O-CB 3.49Å; T483-A487 PolarHBondContact O-N 2.61Å; L484-A487 PolarHBondContact O-N 3.31Å; L484-A487 VanDerWaalsContact O-N 3.17Å; L485-A487 PolarHBondContact O-N 3.49Å; A487-K490 WeakPolarHBondContact O-CB 3.23Å; A487-K490 PolarHBondContact O-N 2.84Å; A487-L491 WeakPolarHBondContact O-CB 3.42Å; A487-L491 PolarHBondContact O-N 3.29Å
488I97.1Very high93.5Very high0 Ų032.4 Ų32.40%018%0.175CC..Hα-helixtrans-67.4-41.2177.1-69.2169.8000110.9L466 L470 L484 K490 L491 F492 L502 V503 V506L466-I488 HydrophobicContact CB-CG1 4.05Å; L466-I488 HydrophobicContact CD1-CG1 3.95Å; L470-I488 HydrophobicContact CB-CD1 4.38Å; L470-I488 HydrophobicContact CD1-CD1 3.91Å; L470-I488 HydrophobicContact CD2-CD1 4.05Å; L470-I488 HydrophobicContact CG-CD1 4.36Å; L484-I488 HydrophobicContact CD1-CD1 3.73Å; L484-I488 HydrophobicContact CD1-CG1 4.02Å; L484-I488 HydrophobicContact CG-CD1 3.89Å; L484-I488 WeakPolarHBondContact O-CG1 3.45Å; L484-I488 PolarHBondContact O-N 2.72Å; I488-K490 VanDerWaalsContact C-N 3.29Å; I488-K490 PolarHBondContact O-N 3.29Å; I488-L491 WeakPolarHBondContact O-CB 3.34Å; I488-L491 PolarHBondContact O-N 3.08Å; I488-F492 PolarHBondContact O-N 2.94Å; I488-L502 HydrophobicContact CD1-CD1 4.46Å; I488-L502 HydrophobicContact CD1-CD2 4.35Å; I488-L502 HydrophobicContact CD1-CG 4.1Å; I488-L502 HydrophobicContact CG1-CD2 4.04Å; I488-L502 HydrophobicContact CG1-CG 4.25Å; I488-L502 HydrophobicContact CG2-CB 4.4Å; I488-L502 HydrophobicContact CG2-CD2 4.07Å; I488-L502 HydrophobicContact CG2-CG 3.88Å; I488-V503 HydrophobicContact CG2-CB 4.25Å; I488-V506 HydrophobicContact CB-CG1 4.02Å; I488-V506 HydrophobicContact CD1-CB 3.87Å; I488-V506 HydrophobicContact CD1-CG1 4.2Å; I488-V506 HydrophobicContact CD1-CG2 3.96Å; I488-V506 HydrophobicContact CG2-CB 4.42Å; I488-V506 HydrophobicContact CG2-CG1 3.64Å
489V95.5Very high93.2Very high0 Ų029.8 Ų29.80%016%0.16CC..Hα-helixtrans-62.4-38.6174.9173.20000111.1L485 T486 F492 L493 V503 Y526 L530 V541L485-V489 HydrophobicContact CD1-CG2 4.3Å; L485-V489 VanDerWaalsContact O-CG2 3.28Å; L485-V489 WeakPolarHBondContact O-CG2 2.97Å; L485-V489 PolarHBondContact O-N 3.14Å; L485-V489 VanDerWaalsContact O-N 3.09Å; T486-V489 PolarHBondContact O-N 3.38Å; V489-F492 PolarHBondContact O-N 3.39Å; V489-L493 HydrophobicContact CG1-CD1 4.06Å; V489-L493 VanDerWaalsContact O-CG 3.32Å; V489-L493 WeakPolarHBondContact O-CG 3.49Å; V489-L493 PolarHBondContact O-N 2.99Å; V489-V503 HydrophobicContact CG2-CG2 4.27Å; V489-Y526 HydrophobicContact CB-CD2 4.41Å; V489-Y526 HydrophobicContact CB-CG 4.47Å; V489-Y526 HydrophobicContact CG1-CD1 4.12Å; V489-Y526 HydrophobicContact CG1-CG 4.17Å; V489-Y526 HydrophobicContact CG2-CD2 3.79Å; V489-Y526 HydrophobicContact CG2-CE2 4.37Å; V489-Y526 HydrophobicContact CG2-CG 3.94Å; V489-L530 HydrophobicContact CG1-CD1 4.24Å; V489-L530 HydrophobicContact CG2-CD1 4.46Å; V489-V541 HydrophobicContact CG1-CG1 4.19Å; V489-V541 HydrophobicContact CG1-CG2 4.31Å
490K94.8Very high92.8Very high9 Ų931 Ų314%0.03917%0.165CC..Hα-helixtrans-63.6-45.7173-75177.8173.8-173.30112.4E454 T486 A487 I488 F492 L493 K494 V541 L542E454-K490 IonicContact OE2-NZ 3.07Å; E454-K490 PolarHBondContact OE2-NZ 3.42Å; T486-K490 HydrophobicContact CG2-CD 4.27Å; T486-K490 VanDerWaalsContact O-CG 3.27Å; T486-K490 WeakPolarHBondContact O-CG 3.34Å; T486-K490 PolarHBondContact O-N 3.14Å; A487-K490 WeakPolarHBondContact O-CB 3.23Å; A487-K490 PolarHBondContact O-N 2.84Å; I488-K490 VanDerWaalsContact C-N 3.29Å; I488-K490 PolarHBondContact O-N 3.29Å; K490-F492 VanDerWaalsContact C-N 3.28Å; K490-F492 PolarHBondContact O-N 2.92Å; K490-L493 PolarHBondContact O-N 3.2Å; K490-K494 WeakPolarHBondContact O-CD 3.41Å; K490-K494 VanDerWaalsContact O-CG 3.31Å; K490-K494 WeakPolarHBondContact O-CG 3.42Å; K490-K494 PolarHBondContact O-N 2.91Å; K490-K494 VanDerWaalsContact O-N 3.13Å; K490-V541 WeakPolarHBondContact CE-O 3.39Å; K490-V541 HydrophobicContact CG-CG1 3.63Å; K490-L542 HydrophobicContact CB-CD2 4.14Å; K490-L542 HydrophobicContact CD-CD2 4.41Å; K490-L542 HydrophobicContact CG-CD2 3.77Å
491L95.1Very high92.6Very high0 Ų038.9 Ų38.90%020%0.202CC..Hα-helixtrans-57.6-44.5176.1174.663.4000110.2A456 A462 D463 L466 A487 I488 K494 K495 T499 L502A456-L491 HydrophobicContact CB-CD1 3.76Å; A462-L491 HydrophobicContact CB-CD1 4Å; D463-L491 HydrophobicContact CB-CD2 4.05Å; L466-L491 HydrophobicContact CD1-CB 4.1Å; L466-L491 HydrophobicContact CD1-CD2 3.84Å; A487-L491 WeakPolarHBondContact O-CB 3.42Å; A487-L491 PolarHBondContact O-N 3.29Å; I488-L491 WeakPolarHBondContact O-CB 3.34Å; I488-L491 PolarHBondContact O-N 3.08Å; L491-K494 PolarHBondContact O-N 3.39Å; L491-K495 HydrophobicContact CD1-CB 4.4Å; L491-K495 HydrophobicContact CD1-CD 4.11Å; L491-K495 HydrophobicContact CD1-CG 4.46Å; L491-K495 PolarHBondContact O-N 3.2Å; L491-T499 HydrophobicContact CD1-CG2 4.15Å; L491-T499 HydrophobicContact CD2-CG2 3.77Å; L491-T499 HydrophobicContact CG-CG2 3.61Å; L491-L502 HydrophobicContact CD2-CD2 3.93Å
492F94.3Very high92.4Very high40 Ų4038.7 Ų38.718%0.17520%0.201CC..Hα-helixtrans-61.6-44.2176.2178.9-106.7000113.8I488 V489 K490 K494 K495 P496 T499 Q500 V503 L530I488-F492 PolarHBondContact O-N 2.94Å; V489-F492 PolarHBondContact O-N 3.39Å; K490-F492 VanDerWaalsContact C-N 3.28Å; K490-F492 PolarHBondContact O-N 2.92Å; F492-K494 PolarHBondContact O-N 3.12Å; F492-K495 CarbonylContact O-C 3.59Å; F492-P496 HydrophobicContact CE2-CB 4.21Å; F492-P496 VanDerWaalsContact O-CA 3.25Å; F492-P496 WeakPolarHBondContact O-CA 3.31Å; F492-P496 WeakPolarHBondContact O-CB 3.5Å; F492-T499 VanDerWaalsContact CA-OG1 3.29Å; F492-T499 WeakPolarHBondContact CA-OG1 3.5Å; F492-T499 WeakPolarHBondContact CD2-OG1 3.43Å; F492-Q500 HydrophobicContact CE2-CG 3.81Å; F492-V503 HydrophobicContact CB-CB 4.03Å; F492-V503 HydrophobicContact CB-CG1 4.39Å; F492-V503 HydrophobicContact CB-CG2 4.08Å; F492-V503 HydrophobicContact CD1-CG1 4.3Å; F492-V503 HydrophobicContact CD1-CG2 4.32Å; F492-V503 HydrophobicContact CD2-CB 4.22Å; F492-V503 HydrophobicContact CD2-CG1 3.68Å; F492-V503 HydrophobicContact CE2-CG1 4.02Å; F492-V503 HydrophobicContact CG-CB 4.03Å; F492-V503 HydrophobicContact CG-CG1 3.85Å; F492-V503 HydrophobicContact CG-CG2 4.13Å; F492-V503 HydrophobicContact CZ-CG1 4.45Å; F492-L530 HydrophobicContact CD1-CD1 4.25Å; F492-L530 HydrophobicContact CD1-CD2 3.92Å; F492-L530 HydrophobicContact CE1-CD2 4.02Å
493L92.1Very high92.2Very high21 Ų2137.9 Ų37.911%0.1120%0.197CC..Hα-helixtrans-66.9-19177.7-70.7167.9000113.5V489 K490 L530 A537 K538 V541 L542V489-L493 HydrophobicContact CG1-CD1 4.06Å; V489-L493 VanDerWaalsContact O-CG 3.32Å; V489-L493 WeakPolarHBondContact O-CG 3.49Å; V489-L493 PolarHBondContact O-N 2.99Å; K490-L493 PolarHBondContact O-N 3.2Å; L493-L530 HydrophobicContact CD2-CD2 3.69Å; L493-L530 HydrophobicContact CG-CD2 4.17Å; L493-A537 HydrophobicContact CD2-CB 4.19Å; L493-K538 HydrophobicContact CD2-CB 4.37Å; L493-V541 HydrophobicContact CD1-CB 3.64Å; L493-V541 HydrophobicContact CD1-CG1 3.9Å; L493-V541 HydrophobicContact CD1-CG2 4.04Å; L493-L542 HydrophobicContact CB-CD1 4.35Å
494K91.1Very high92Very high39 Ų3942.6 Ų42.617%0.1722%0.218CC..Hα-helixtrans-97.2-42.3178.7-70.8167.9166.8-179.40112.8G453 E454 A456 E457 K490 L491 F492 L542G453-K494 PolarHBondContact O-NZ 2.93Å; G453-K494 VanDerWaalsContact O-NZ 3.15Å; E454-K494 VanDerWaalsContact C-NZ 3.33Å; E454-K494 PolarHBondContact O-NZ 3.37Å; A456-K494 HydrophobicContact CB-CD 4.12Å; E457-K494 HydrophobicContact CG-CB 4.07Å; E457-K494 HydrophobicContact CG-CD 3.98Å; E457-K494 HydrophobicContact CG-CG 4.1Å; K490-K494 WeakPolarHBondContact O-CD 3.41Å; K490-K494 VanDerWaalsContact O-CG 3.31Å; K490-K494 WeakPolarHBondContact O-CG 3.42Å; K490-K494 PolarHBondContact O-N 2.91Å; K490-K494 VanDerWaalsContact O-N 3.13Å; L491-K494 PolarHBondContact O-N 3.39Å; F492-K494 PolarHBondContact O-N 3.12Å; K494-L542 HydrophobicContact CG-CD1 4.21Å
495K89.1Confident91.9Very high37 Ų3746.7 Ų46.716%0.16124%0.237CC..  trans-12667.6-178.1-64.6-173.7-179177.40111.3A456 I459 D460 L491 F492 S497 T499A456-K495 VanDerWaalsContact O-CE 3.29Å; A456-K495 WeakPolarHBondContact O-CE 3.48Å; A456-K495 PolarHBondContact O-NZ 3.4Å; I459-K495 PolarHBondContact O-NZ 3.4Å; D460-K495 PolarHBondContact O-NZ 3.16Å; D460-K495 VanDerWaalsContact O-NZ 3.14Å; L491-K495 HydrophobicContact CD1-CB 4.4Å; L491-K495 HydrophobicContact CD1-CD 4.11Å; L491-K495 HydrophobicContact CD1-CG 4.46Å; L491-K495 PolarHBondContact O-N 3.2Å; F492-K495 CarbonylContact O-C 3.59Å; K495-S497 VanDerWaalsContact C-N 3.29Å; K495-S497 PolarHBondContact O-N 3.47Å; K495-T499 HydrophobicContact CB-CG2 4.39Å; K495-T499 PolarHBondContact O-OG1 2.88Å
496P84.9Confident91.8Very high69 Ų6946.7 Ų46.745%0.44824%0.237SC..THydrogen-bonded Turntrans-68.5-21.2-170.426-35.4000115F492 Q500F492-P496 HydrophobicContact CE2-CB 4.21Å; F492-P496 VanDerWaalsContact O-CA 3.25Å; F492-P496 WeakPolarHBondContact O-CA 3.31Å; F492-P496 WeakPolarHBondContact O-CB 3.5Å; P496-Q500 WeakPolarHBondContact O-CG 3.35Å
497S84Confident91.8Very high100 Ų10046.3 Ų46.370%0.69923%0.234SC*.THydrogen-bonded Turntrans-74.6-30-177.243.70000113.9K495K495-S497 VanDerWaalsContact C-N 3.29Å; K495-S497 PolarHBondContact O-N 3.47Å
498E79.8Confident91.7Very high128 Ų12848 Ų4860%0.59825%0.246SC*.THydrogen-bonded Turntrans-104.9-10.9-169.3-69.9163.1-172.600112.6
499T87.8Confident91.6Very high0 Ų049 Ų490%025%0.251CS..  trans-123.814.4-16257.80000113.5D463 L491 F492 K495 L502 V503D463-T499 HydrophobicContact CB-CG2 4.36Å; L491-T499 HydrophobicContact CD1-CG2 4.15Å; L491-T499 HydrophobicContact CD2-CG2 3.77Å; L491-T499 HydrophobicContact CG-CG2 3.61Å; F492-T499 VanDerWaalsContact CA-OG1 3.29Å; F492-T499 WeakPolarHBondContact CA-OG1 3.5Å; F492-T499 WeakPolarHBondContact CD2-OG1 3.43Å; K495-T499 HydrophobicContact CB-CG2 4.39Å; K495-T499 PolarHBondContact O-OG1 2.88Å; T499-L502 PolarHBondContact O-N 3.32Å; T499-V503 PolarHBondContact O-N 2.85Å
500Q87.8Confident91.5Very high112 Ų11249 Ų4952%0.52325%0.251SS..Hα-helixtrans-62.6-41.5179.6-79-174-3.400112.9F492 P496 V503 Q504F492-Q500 HydrophobicContact CE2-CG 3.81Å; P496-Q500 WeakPolarHBondContact O-CG 3.35Å; Q500-V503 WeakPolarHBondContact O-CG1 3.31Å; Q500-Q504 VanDerWaalsContact O-CG 3.26Å; Q500-Q504 WeakPolarHBondContact O-CG 3.26Å; Q500-Q504 PolarHBondContact O-N 3.43Å
501E91.4Very high91.5Very high166 Ų16649.2 Ų49.278%0.77625%0.253SS*.Hα-helixtrans-67.8-46.2179.4-64.4-173.6172.900110.4V503 Q504 Q505E501-V503 PolarHBondContact O-N 2.99Å; E501-Q504 PolarHBondContact O-N 3.18Å; E501-Q505 WeakPolarHBondContact O-CB 3.5Å; E501-Q505 PolarHBondContact O-N 2.94Å
502L93.1Very high91.3Very high13 Ų1356 Ų567%0.06829%0.285CS..Hα-helixtrans-59.8-43.8-179.7-164.770.3000112.6L466 E467 L470 I488 L491 T499 Q505 V506L466-L502 HydrophobicContact CB-CD2 4.32Å; E467-L502 HydrophobicContact CB-CD1 3.81Å; E467-L502 HydrophobicContact CG-CD1 4.02Å; L470-L502 HydrophobicContact CD2-CD1 3.49Å; L470-L502 VanDerWaalsContact CD2-CD1 3.49Å; L470-L502 HydrophobicContact CD2-CG 4.28Å; I488-L502 HydrophobicContact CD1-CD1 4.46Å; I488-L502 HydrophobicContact CD1-CD2 4.35Å; I488-L502 HydrophobicContact CD1-CG 4.1Å; I488-L502 HydrophobicContact CG1-CD2 4.04Å; I488-L502 HydrophobicContact CG1-CG 4.25Å; I488-L502 HydrophobicContact CG2-CB 4.4Å; I488-L502 HydrophobicContact CG2-CD2 4.07Å; I488-L502 HydrophobicContact CG2-CG 3.88Å; L491-L502 HydrophobicContact CD2-CD2 3.93Å; T499-L502 PolarHBondContact O-N 3.32Å; L502-Q505 PolarHBondContact O-N 2.77Å; L502-V506 PolarHBondContact O-N 2.88Å
503V93.4Very high91.1Very high7 Ų758 Ų584%0.04230%0.297CS..Hα-helixtrans-69-35.8178.175.30000112.1I488 V489 F492 T499 Q500 E501 V506 L507 L530I488-V503 HydrophobicContact CG2-CB 4.25Å; V489-V503 HydrophobicContact CG2-CG2 4.27Å; F492-V503 HydrophobicContact CB-CB 4.03Å; F492-V503 HydrophobicContact CB-CG1 4.39Å; F492-V503 HydrophobicContact CB-CG2 4.08Å; F492-V503 HydrophobicContact CD1-CG1 4.3Å; F492-V503 HydrophobicContact CD1-CG2 4.32Å; F492-V503 HydrophobicContact CD2-CB 4.22Å; F492-V503 HydrophobicContact CD2-CG1 3.68Å; F492-V503 HydrophobicContact CE2-CG1 4.02Å; F492-V503 HydrophobicContact CG-CB 4.03Å; F492-V503 HydrophobicContact CG-CG1 3.85Å; F492-V503 HydrophobicContact CG-CG2 4.13Å; F492-V503 HydrophobicContact CZ-CG1 4.45Å; T499-V503 PolarHBondContact O-N 2.85Å; Q500-V503 WeakPolarHBondContact O-CG1 3.31Å; E501-V503 PolarHBondContact O-N 2.99Å; V503-V506 WeakPolarHBondContact O-CG1 3.33Å; V503-L507 HydrophobicContact CG2-CD1 4.08Å; V503-L507 HydrophobicContact CG2-CG 4.47Å; V503-L507 WeakPolarHBondContact O-CB 3.47Å; V503-L507 WeakPolarHBondContact O-CD1 3.41Å; V503-L507 WeakPolarHBondContact O-CG 3.44Å; V503-L507 PolarHBondContact O-N 3.44Å; V503-L507 VanDerWaalsContact O-N 3.15Å; V503-L530 HydrophobicContact CG2-CD1 3.97Å
504Q92.9Very high91Very high129 Ų12957.5 Ų57.560%0.60330%0.295SS*.Hα-helixtrans-67-42.3175.6-73.8176.626.100111.1Q500 E501 L507 S508Q500-Q504 VanDerWaalsContact O-CG 3.26Å; Q500-Q504 WeakPolarHBondContact O-CG 3.26Å; Q500-Q504 PolarHBondContact O-N 3.43Å; E501-Q504 PolarHBondContact O-N 3.18Å; Q504-L507 PolarHBondContact O-N 2.91Å; Q504-S508 WeakPolarHBondContact O-CB 3.49Å; Q504-S508 PolarHBondContact O-N 3.02Å
505Q95.6Very high90.9Very high85 Ų8563.4 Ų63.440%0.39733%0.329SS..Hα-helixtrans-62-52.5178.8-172.5179.73.800111.3L470 E501 L502 L507 S508 L509L470-Q505 HydrophobicContact CD2-CB 4.05Å; L470-Q505 HydrophobicContact CD2-CG 3.85Å; E501-Q505 WeakPolarHBondContact O-CB 3.5Å; E501-Q505 PolarHBondContact O-N 2.94Å; L502-Q505 PolarHBondContact O-N 2.77Å; Q505-L507 VanDerWaalsContact C-N 3.3Å; Q505-L507 PolarHBondContact O-N 3.33Å; Q505-S508 WeakPolarHBondContact O-CB 3.42Å; Q505-S508 PolarHBondContact O-N 3.46Å; Q505-S508 VanDerWaalsContact O-N 3.16Å; Q505-L509 HydrophobicContact CG-CD1 3.96Å; Q505-L509 VanDerWaalsContact O-CG 3.28Å; Q505-L509 WeakPolarHBondContact O-CG 3.5Å; Q505-L509 PolarHBondContact O-N 2.98Å
506V96Very high91.1Very high0 Ų063.6 Ų63.60%033%0.331CS..Hα-helixtrans-64.2-34.2-179.575.40000112.6L470 F473 L485 I488 L502 V503 A510L470-V506 HydrophobicContact CD1-CB 3.78Å; L470-V506 HydrophobicContact CD1-CG2 3.67Å; L470-V506 HydrophobicContact CD2-CB 4.36Å; F473-V506 HydrophobicContact CE2-CG2 4.06Å; L485-V506 HydrophobicContact CB-CG2 4.19Å; L485-V506 HydrophobicContact CD1-CG1 3.95Å; L485-V506 HydrophobicContact CD1-CG2 3.96Å; I488-V506 HydrophobicContact CB-CG1 4.02Å; I488-V506 HydrophobicContact CD1-CB 3.87Å; I488-V506 HydrophobicContact CD1-CG1 4.2Å; I488-V506 HydrophobicContact CD1-CG2 3.96Å; I488-V506 HydrophobicContact CG2-CB 4.42Å; I488-V506 HydrophobicContact CG2-CG1 3.64Å; L502-V506 PolarHBondContact O-N 2.88Å; V503-V506 WeakPolarHBondContact O-CG1 3.33Å; V506-A510 WeakPolarHBondContact O-CB 3.29Å; V506-A510 PolarHBondContact O-N 3.28Å
507L95.1Very high91.5Very high15 Ų1564.2 Ų64.28%0.07934%0.335CS..Hα-helixtrans-70.1-37.8175.6-71.9173.7000111.8L485 V503 Q504 Q505 T511 G523 W527 L530L485-L507 HydrophobicContact CD1-CD2 3.99Å; V503-L507 HydrophobicContact CG2-CD1 4.08Å; V503-L507 HydrophobicContact CG2-CG 4.47Å; V503-L507 WeakPolarHBondContact O-CB 3.47Å; V503-L507 WeakPolarHBondContact O-CD1 3.41Å; V503-L507 WeakPolarHBondContact O-CG 3.44Å; V503-L507 PolarHBondContact O-N 3.44Å; V503-L507 VanDerWaalsContact O-N 3.15Å; Q504-L507 PolarHBondContact O-N 2.91Å; Q505-L507 VanDerWaalsContact C-N 3.3Å; Q505-L507 PolarHBondContact O-N 3.33Å; L507-T511 VanDerWaalsContact O-CB 3.31Å; L507-T511 WeakPolarHBondContact O-CB 3.43Å; L507-T511 VanDerWaalsContact O-CG2 3.3Å; L507-T511 WeakPolarHBondContact O-CG2 3.34Å; L507-T511 PolarHBondContact O-N 3.32Å; L507-T511 PolarHBondContact O-OG1 3.3Å; L507-G523 WeakPolarHBondContact CD2-O 3.28Å; L507-W527 HydrophobicContact CD1-CB 4.34Å; L507-W527 HydrophobicContact CD2-CB 4.27Å; L507-L530 HydrophobicContact CD1-CD1 4.26Å
508S95.2Very high92Very high39 Ų3964.3 Ų64.327%0.27333%0.328SS..Hα-helixtrans-62.9-51.3173.7-167.70000110.7Q504 Q505 A510 T511 Q512Q504-S508 WeakPolarHBondContact O-CB 3.49Å; Q504-S508 PolarHBondContact O-N 3.02Å; Q505-S508 WeakPolarHBondContact O-CB 3.42Å; Q505-S508 PolarHBondContact O-N 3.46Å; Q505-S508 VanDerWaalsContact O-N 3.16Å; S508-A510 VanDerWaalsContact C-N 3.3Å; S508-A510 PolarHBondContact O-N 3.39Å; S508-T511 PolarHBondContact O-N 3.2Å; S508-Q512 WeakPolarHBondContact O-CB 3.28Å; S508-Q512 PolarHBondContact O-N 2.89Å
509L95.5Very high92.7Very high21 Ų2158.2 Ų58.211%0.1130%0.3CS..Iπ-helixtrans-56.9-44.1177.6-68.3167.8000111.5L470 F473 H474 Q505 D513 S514L470-L509 HydrophobicContact CD1-CD1 3.74Å; L470-L509 HydrophobicContact CG-CD1 4.06Å; F473-L509 HydrophobicContact CB-CD1 4.07Å; F473-L509 HydrophobicContact CD1-CB 3.76Å; F473-L509 HydrophobicContact CD1-CD1 4.18Å; F473-L509 HydrophobicContact CD1-CG 4.41Å; F473-L509 HydrophobicContact CE1-CB 3.76Å; F473-L509 HydrophobicContact CG-CB 4.44Å; F473-L509 HydrophobicContact CG-CD1 4.11Å; F473-L509 HydrophobicContact CZ-CB 4.44Å; H474-L509 VanDerWaalsContact NE2-CD2 3.28Å; H474-L509 WeakPolarHBondContact NE2-CD2 3.39Å; Q505-L509 HydrophobicContact CG-CD1 3.96Å; Q505-L509 VanDerWaalsContact O-CG 3.28Å; Q505-L509 WeakPolarHBondContact O-CG 3.5Å; Q505-L509 PolarHBondContact O-N 2.98Å; L509-D513 CarbonylContact O-C 3.59Å; L509-D513 PolarHBondContact O-N 2.9Å; L509-S514 WeakPolarHBondContact O-CB 3.18Å; L509-S514 PolarHBondContact O-N 3.02Å
510A93.9Very high93.1Very high0 Ų062.7 Ų62.70%032%0.317CS..Iπ-helixtrans-72.8-30.2-179.500000114.1L485 V506 S508 S514 L519 R520L485-A510 HydrophobicContact CD1-CB 4.4Å; L485-A510 HydrophobicContact CD2-CB 4.18Å; V506-A510 WeakPolarHBondContact O-CB 3.29Å; V506-A510 PolarHBondContact O-N 3.28Å; S508-A510 VanDerWaalsContact C-N 3.3Å; S508-A510 PolarHBondContact O-N 3.39Å; A510-S514 WeakPolarHBondContact O-CB 3.44Å; A510-L519 HydrophobicContact CB-CD1 4.24Å; A510-L519 HydrophobicContact CB-CG 4.11Å; A510-R520 WeakPolarHBondContact O-CA 3.28Å; A510-R520 VanDerWaalsContact O-CG 3.29Å; A510-R520 WeakPolarHBondContact O-CG 3.37Å
511T92.8Very high93.5Very high13 Ų1362 Ų628%0.0832%0.317CS..Iπ-helixtrans-100.7-33.2-172.658.30000114.4L507 S508 R520 Y524L507-T511 VanDerWaalsContact O-CB 3.31Å; L507-T511 WeakPolarHBondContact O-CB 3.43Å; L507-T511 VanDerWaalsContact O-CG2 3.3Å; L507-T511 WeakPolarHBondContact O-CG2 3.34Å; L507-T511 PolarHBondContact O-N 3.32Å; L507-T511 PolarHBondContact O-OG1 3.3Å; S508-T511 PolarHBondContact O-N 3.2Å; T511-R520 PolarHBondContact O-NE 3.06Å; T511-R520 VanDerWaalsContact O-NE 3.16Å; T511-R520 PolarHBondContact O-NH2 3.34Å; T511-R520 VanDerWaalsContact O-NH2 3.08Å; T511-Y524 HydrophobicContact CG2-CD1 3.88Å; T511-Y524 HydrophobicContact CG2-CD2 4.42Å; T511-Y524 HydrophobicContact CG2-CE1 3.9Å; T511-Y524 HydrophobicContact CG2-CE2 4.45Å; T511-Y524 HydrophobicContact CG2-CG 4.14Å
512Q92.2Very high93.7Very high142 Ų14258.6 Ų58.666%0.66430%0.297SS*.Iπ-helixtrans-103.6-44.1-174.5-58.2-179.835.800112S508S508-Q512 WeakPolarHBondContact O-CB 3.28Å; S508-Q512 PolarHBondContact O-N 2.89Å
513D90.3Very high93.8Very high83 Ų8358 Ų5844%0.44429%0.293SS..Iπ-helixtrans-99.1-15.2-169.4-55.4-28.6000113.2L509L509-D513 CarbonylContact O-C 3.59Å; L509-D513 PolarHBondContact O-N 2.9Å
514S90.1Very high93.9Very high10 Ų1061 Ų617%0.0731%0.305CS..  trans-87.5131.8177.9164.70000112.3L509 A510 N516 L519 R520L509-S514 WeakPolarHBondContact O-CB 3.18Å; L509-S514 PolarHBondContact O-N 3.02Å; A510-S514 WeakPolarHBondContact O-CB 3.44Å; S514-N516 PolarHBondContact OG-N 2.85Å; S514-N516 VanDerWaalsContact OG-N 3.14Å; S514-L519 WeakPolarHBondContact OG-CD2 3.24Å; S514-R520 WeakPolarHBondContact O-CD 3.39Å; S514-R520 WeakPolarHBondContact O-CG 3.43Å
515D88.4Confident94Very high162 Ų16259.2 Ų59.287%0.86630%0.298SS*.  trans-86.7-11.4171.4-68.9-37.1000113.7
516N92.7Very high94Very high41 Ų4156.5 Ų56.522%0.21929%0.285CS..  trans-78.6122.3-177.1-176.4-66.4000111.7T478 S514 D518 L519 R520T478-N516 VanDerWaalsContact CG2-ND2 3.28Å; T478-N516 WeakPolarHBondContact CG2-ND2 3.37Å; S514-N516 PolarHBondContact OG-N 2.85Å; S514-N516 VanDerWaalsContact OG-N 3.14Å; N516-D518 PolarHBondContact O-N 2.56Å; N516-D518 WeakPolarHBondContact OD1-CB 3.4Å; N516-D518 PolarHBondContact OD1-N 3.01Å; N516-L519 HydrophobicContact CB-CB 4.03Å; N516-L519 PolarHBondContact O-N 2.84Å; N516-L519 PolarHBondContact OD1-N 3.11Å; N516-L519 VanDerWaalsContact OD1-N 3.1Å; N516-R520 VanDerWaalsContact O-CG 3.3Å; N516-R520 WeakPolarHBondContact O-CG 3.48Å; N516-R520 PolarHBondContact O-N 3.42Å
517P93.8Very high93.9Very high82 Ų8262.9 Ų62.953%0.53231%0.309SS..Hα-helixtrans-64.9-39.2-17625.5-33.9000113.4L519 R520 D521P517-L519 VanDerWaalsContact C-N 3.32Å; P517-L519 PolarHBondContact O-N 3.35Å; P517-R520 PolarHBondContact O-N 3.29Å; P517-D521 WeakPolarHBondContact O-CB 3.41Å; P517-D521 PolarHBondContact O-N 3.38Å
518D94.4Very high93.8Very high103 Ų10369.1 Ų69.155%0.55133%0.331SS*.Hα-helixtrans-64.4-39.5179.6-63.2-43.6000111.4N516 R522N516-D518 PolarHBondContact O-N 2.56Å; N516-D518 WeakPolarHBondContact OD1-CB 3.4Å; N516-D518 PolarHBondContact OD1-N 3.01Å; D518-R522 WeakPolarHBondContact O-CB 3.29Å; D518-R522 PolarHBondContact O-N 2.8Å
519L94.9Very high93.7Very high0 Ų069 Ų690%033%0.327CS..Hα-helixtrans-68.5-43.9177.5-174.758.1000111.3F473 Q481 L482 L485 A510 S514 N516 P517 G523F473-L519 HydrophobicContact CE1-CD2 4.03Å; F473-L519 HydrophobicContact CZ-CD1 4.25Å; F473-L519 HydrophobicContact CZ-CD2 3.75Å; F473-L519 HydrophobicContact CZ-CG 4.43Å; Q481-L519 HydrophobicContact CB-CD1 4.2Å; Q481-L519 HydrophobicContact CB-CD2 3.79Å; Q481-L519 HydrophobicContact CG-CD2 4.35Å; L482-L519 HydrophobicContact CD2-CB 4.19Å; L482-L519 HydrophobicContact CD2-CD1 3.82Å; L482-L519 HydrophobicContact CG-CD1 4.22Å; L485-L519 HydrophobicContact CB-CD1 4.39Å; L485-L519 HydrophobicContact CD2-CD1 3.89Å; A510-L519 HydrophobicContact CB-CD1 4.24Å; A510-L519 HydrophobicContact CB-CG 4.11Å; S514-L519 WeakPolarHBondContact OG-CD2 3.24Å; N516-L519 HydrophobicContact CB-CB 4.03Å; N516-L519 PolarHBondContact O-N 2.84Å; N516-L519 PolarHBondContact OD1-N 3.11Å; N516-L519 VanDerWaalsContact OD1-N 3.1Å; P517-L519 VanDerWaalsContact C-N 3.32Å; P517-L519 PolarHBondContact O-N 3.35Å; L519-G523 PolarHBondContact O-N 3.29Å
520R95.9Very high93.5Very high94 Ų9469.3 Ų69.336%0.35533%0.329SS..Hα-helixtrans-62.3-46.5175.5-69.5-172.581.7179.51112.1A510 T511 S514 N516 P517 G523 Y524A510-R520 WeakPolarHBondContact O-CA 3.28Å; A510-R520 VanDerWaalsContact O-CG 3.29Å; A510-R520 WeakPolarHBondContact O-CG 3.37Å; T511-R520 PolarHBondContact O-NE 3.06Å; T511-R520 VanDerWaalsContact O-NE 3.16Å; T511-R520 PolarHBondContact O-NH2 3.34Å; T511-R520 VanDerWaalsContact O-NH2 3.08Å; S514-R520 WeakPolarHBondContact O-CD 3.39Å; S514-R520 WeakPolarHBondContact O-CG 3.43Å; N516-R520 VanDerWaalsContact O-CG 3.3Å; N516-R520 WeakPolarHBondContact O-CG 3.48Å; N516-R520 PolarHBondContact O-N 3.42Å; P517-R520 PolarHBondContact O-N 3.29Å; R520-G523 PolarHBondContact O-N 3.41Å; R520-Y524 PolarHBondContact NH2-OH 3.35Å; R520-Y524 WeakPolarHBondContact O-CD2 3.08Å; R520-Y524 PolarHBondContact O-N 2.95Å
521D95.7Very high93.2Very high98 Ų9873.1 Ų73.152%0.52436%0.355SS..Hα-helixtrans-63.6-46.1-179.6-79.8-12.7000111P517 G523 Y524 I525P517-D521 WeakPolarHBondContact O-CB 3.41Å; P517-D521 PolarHBondContact O-N 3.38Å; D521-G523 VanDerWaalsContact C-N 3.31Å; D521-G523 PolarHBondContact O-N 3.16Å; D521-Y524 PolarHBondContact O-N 2.85Å; D521-I525 WeakPolarHBondContact O-CB 3.32Å; D521-I525 WeakPolarHBondContact O-CG1 3.14Å; D521-I525 PolarHBondContact O-N 3.03Å
522R95.8Very high93.1Very high94 Ų9478.1 Ų78.136%0.35539%0.386SS..Hα-helixtrans-61.8-40.4174.4-170.6175.3-64.2-177.94.8111.7L482 L485 D518 I525 Y526L482-R522 HydrophobicContact CD2-CB 4.33Å; L485-R522 HydrophobicContact CD2-CB 4.08Å; L485-R522 HydrophobicContact CD2-CG 3.93Å; D518-R522 WeakPolarHBondContact O-CB 3.29Å; D518-R522 PolarHBondContact O-N 2.8Å; R522-I525 PolarHBondContact O-N 3.42Å; R522-Y526 HydrophobicContact CG-CD2 3.9Å; R522-Y526 HydrophobicContact CG-CE2 3.46Å; R522-Y526 VanDerWaalsContact CG-CE2 3.46Å; R522-Y526 WeakPolarHBondContact O-CD2 3.25Å; R522-Y526 PolarHBondContact O-N 3.5Å
523G96.1Very high93Very high0 Ų074.2 Ų74.20%037%0.37CS..Hα-helixtrans-58.8-49.2174.200000112.3L507 L519 R520 D521 I525 Y526 W527L507-G523 WeakPolarHBondContact CD2-O 3.28Å; L519-G523 PolarHBondContact O-N 3.29Å; R520-G523 PolarHBondContact O-N 3.41Å; D521-G523 VanDerWaalsContact C-N 3.31Å; D521-G523 PolarHBondContact O-N 3.16Å; G523-I525 PolarHBondContact O-N 3.3Å; G523-Y526 PolarHBondContact O-N 3.35Å; G523-W527 VanDerWaalsContact O-CB 3.31Å; G523-W527 WeakPolarHBondContact O-CB 3.32Å; G523-W527 PolarHBondContact O-N 3.41Å
524Y95.7Very high92.8Very high71 Ų7174 Ų7428%0.27837%0.373SS..Hα-helixtrans-65.7-36.5176.7-77.2-56.4000113T511 R520 D521 W527 R528T511-Y524 HydrophobicContact CG2-CD1 3.88Å; T511-Y524 HydrophobicContact CG2-CD2 4.42Å; T511-Y524 HydrophobicContact CG2-CE1 3.9Å; T511-Y524 HydrophobicContact CG2-CE2 4.45Å; T511-Y524 HydrophobicContact CG2-CG 4.14Å; R520-Y524 PolarHBondContact NH2-OH 3.35Å; R520-Y524 WeakPolarHBondContact O-CD2 3.08Å; R520-Y524 PolarHBondContact O-N 2.95Å; D521-Y524 PolarHBondContact O-N 2.85Å; Y524-W527 HydrophobicContact CD1-CE3 4.38Å; Y524-R528 VanDerWaalsContact O-CB 3.32Å; Y524-R528 WeakPolarHBondContact O-CB 3.45Å; Y524-R528 WeakPolarHBondContact O-CG 3.09Å; Y524-R528 PolarHBondContact O-N 3.05Å
525I94.9Very high92.7Very high91 Ų9178.1 Ų78.147%0.46740%0.398SS..Hα-helixtrans-61.5-50.9174.8-72164.8000109.8D521 R522 G523 R528 L529D521-I525 WeakPolarHBondContact O-CB 3.32Å; D521-I525 WeakPolarHBondContact O-CG1 3.14Å; D521-I525 PolarHBondContact O-N 3.03Å; R522-I525 PolarHBondContact O-N 3.42Å; G523-I525 PolarHBondContact O-N 3.3Å; I525-R528 PolarHBondContact O-N 3.24Å; I525-L529 HydrophobicContact CG2-CD1 3.83Å; I525-L529 HydrophobicContact CG2-CG 4.47Å; I525-L529 WeakPolarHBondContact O-CB 3.18Å; I525-L529 WeakPolarHBondContact O-CG 3.36Å; I525-L529 PolarHBondContact O-N 3.07Å
526Y95.2Very high92.8Very high28 Ų2873 Ų7311%0.1137%0.372CS..Hα-helixtrans-64-43.3177.9-69.4-37.1000112.4L485 T486 V489 R522 G523 R528 L529 L530 V541L485-Y526 HydrophobicContact CD1-CD2 4.09Å; L485-Y526 HydrophobicContact CD2-CD2 4.04Å; L485-Y526 HydrophobicContact CD2-CE2 4.26Å; L485-Y526 HydrophobicContact CG-CD2 3.8Å; L485-Y526 HydrophobicContact CG-CE2 3.95Å; T486-Y526 WeakPolarHBondContact CG2-OH 3.49Å; T486-Y526 PolarHBondContact OG1-OH 3.03Å; V489-Y526 HydrophobicContact CB-CD2 4.41Å; V489-Y526 HydrophobicContact CB-CG 4.47Å; V489-Y526 HydrophobicContact CG1-CD1 4.12Å; V489-Y526 HydrophobicContact CG1-CG 4.17Å; V489-Y526 HydrophobicContact CG2-CD2 3.79Å; V489-Y526 HydrophobicContact CG2-CE2 4.37Å; V489-Y526 HydrophobicContact CG2-CG 3.94Å; R522-Y526 HydrophobicContact CG-CD2 3.9Å; R522-Y526 HydrophobicContact CG-CE2 3.46Å; R522-Y526 VanDerWaalsContact CG-CE2 3.46Å; R522-Y526 WeakPolarHBondContact O-CD2 3.25Å; R522-Y526 PolarHBondContact O-N 3.5Å; G523-Y526 PolarHBondContact O-N 3.35Å; Y526-R528 VanDerWaalsContact C-N 3.33Å; Y526-R528 PolarHBondContact O-N 2.96Å; Y526-L529 PolarHBondContact O-N 3.27Å; Y526-L530 WeakPolarHBondContact O-CB 3.03Å; Y526-L530 VanDerWaalsContact O-CG 3.25Å; Y526-L530 WeakPolarHBondContact O-CG 3.4Å; Y526-L530 PolarHBondContact O-N 3.25Å; Y526-V541 HydrophobicContact CD1-CG2 3.96Å; Y526-V541 HydrophobicContact CE1-CG2 3.62Å
527W93.7Very high92.6Very high133 Ų13371 Ų7150%0.50436%0.361SS..Hα-helixtrans-58.1-45.1176.5-179.669.9000112.1L507 G523 Y524 S531L507-W527 HydrophobicContact CD1-CB 4.34Å; L507-W527 HydrophobicContact CD2-CB 4.27Å; G523-W527 VanDerWaalsContact O-CB 3.31Å; G523-W527 WeakPolarHBondContact O-CB 3.32Å; G523-W527 PolarHBondContact O-N 3.41Å; Y524-W527 HydrophobicContact CD1-CE3 4.38Å; W527-S531 VanDerWaalsContact O-CB 3.22Å; W527-S531 WeakPolarHBondContact O-CB 3.35Å; W527-S531 PolarHBondContact O-N 3.05Å; W527-S531 PolarHBondContact O-OG 2.84Å
528R93.7Very high92.4Very high147 Ų14772.1 Ų72.156%0.55536%0.358SS*.Hα-helixtrans-66.9-42.8177.5-73.5171.9-175.7151.43.7112.3Y524 I525 Y526 T532Y524-R528 VanDerWaalsContact O-CB 3.32Å; Y524-R528 WeakPolarHBondContact O-CB 3.45Å; Y524-R528 WeakPolarHBondContact O-CG 3.09Å; Y524-R528 PolarHBondContact O-N 3.05Å; I525-R528 PolarHBondContact O-N 3.24Å; Y526-R528 VanDerWaalsContact C-N 3.33Å; Y526-R528 PolarHBondContact O-N 2.96Å; R528-T532 WeakPolarHBondContact O-CB 3.46Å; R528-T532 PolarHBondContact O-N 3.1Å; R528-T532 PolarHBondContact O-OG1 3.04Å
529L91.7Very high92.2Very high37 Ų3773.7 Ų73.719%0.19436%0.362CS..Hα-helixtrans-61.4-51.2177.1-77.6171.6000110.9I525 Y526 S531 T532 D533 T536 A537 V540I525-L529 HydrophobicContact CG2-CD1 3.83Å; I525-L529 HydrophobicContact CG2-CG 4.47Å; I525-L529 WeakPolarHBondContact O-CB 3.18Å; I525-L529 WeakPolarHBondContact O-CG 3.36Å; I525-L529 PolarHBondContact O-N 3.07Å; Y526-L529 PolarHBondContact O-N 3.27Å; L529-S531 VanDerWaalsContact C-N 3.34Å; L529-S531 PolarHBondContact O-N 2.88Å; L529-T532 PolarHBondContact O-N 2.96Å; L529-D533 CarbonylContact O-C 3.58Å; L529-D533 VanDerWaalsContact O-C 3.27Å; L529-D533 PolarHBondContact O-N 3.26Å; L529-D533 VanDerWaalsContact O-O 3.11Å; L529-T536 HydrophobicContact CD2-CG2 4.31Å; L529-A537 HydrophobicContact CB-CB 3.91Å; L529-V540 HydrophobicContact CD1-CG1 4.34Å
530L90.9Very high92Very high27 Ų2777.5 Ų77.514%0.14139%0.385CS..Hα-helixtrans-64.6-35.6-179.4-67.6174.1000112.8V489 F492 L493 V503 L507 Y526 A537V489-L530 HydrophobicContact CG1-CD1 4.24Å; V489-L530 HydrophobicContact CG2-CD1 4.46Å; F492-L530 HydrophobicContact CD1-CD1 4.25Å; F492-L530 HydrophobicContact CD1-CD2 3.92Å; F492-L530 HydrophobicContact CE1-CD2 4.02Å; L493-L530 HydrophobicContact CD2-CD2 3.69Å; L493-L530 HydrophobicContact CG-CD2 4.17Å; V503-L530 HydrophobicContact CG2-CD1 3.97Å; L507-L530 HydrophobicContact CD1-CD1 4.26Å; Y526-L530 WeakPolarHBondContact O-CB 3.03Å; Y526-L530 VanDerWaalsContact O-CG 3.25Å; Y526-L530 WeakPolarHBondContact O-CG 3.4Å; Y526-L530 PolarHBondContact O-N 3.25Å; L530-A537 HydrophobicContact CD2-CB 4.06Å
531S89.4Confident91.7Very high79 Ų7973.7 Ų73.755%0.55237%0.372SS*.Hα-helixtrans-80.5-27.5-179.1-54.90000113.6W527 L529W527-S531 VanDerWaalsContact O-CB 3.22Å; W527-S531 WeakPolarHBondContact O-CB 3.35Å; W527-S531 PolarHBondContact O-N 3.05Å; W527-S531 PolarHBondContact O-OG 2.84Å; L529-S531 VanDerWaalsContact C-N 3.34Å; L529-S531 PolarHBondContact O-N 2.88Å
532T90.7Very high91.5Very high118 Ų11871.4 Ų71.472%0.72436%0.36SS*.Hα-helixtrans-93.9-51.6-175.7-500000111.8R528 L529R528-T532 WeakPolarHBondContact O-CB 3.46Å; R528-T532 PolarHBondContact O-N 3.1Å; R528-T532 PolarHBondContact O-OG1 3.04Å; L529-T532 PolarHBondContact O-N 2.96Å
533D90.2Very high91.1Very high60 Ų6070 Ų7032%0.32136%0.364SS..  trans-150.595.1-174.2-174.9-5.8000111.2L529 V535 T536 A537L529-D533 CarbonylContact O-C 3.58Å; L529-D533 VanDerWaalsContact O-C 3.27Å; L529-D533 PolarHBondContact O-N 3.26Å; L529-D533 VanDerWaalsContact O-O 3.11Å; D533-V535 PolarHBondContact O-N 3.32Å; D533-V535 WeakPolarHBondContact OD1-CB 3.18Å; D533-V535 PolarHBondContact OD1-N 2.84Å; D533-T536 VanDerWaalsContact CG-OG1 3.3Å; D533-T536 PolarHBondContact O-N 2.78Å; D533-T536 PolarHBondContact OD1-N 2.95Å; D533-T536 WeakPolarHBondContact OD2-CB 3.48Å; D533-T536 PolarHBondContact OD2-OG1 3.25Å; D533-A537 WeakPolarHBondContact O-CB 3.43Å; D533-A537 PolarHBondContact O-N 3.29Å
534P84.6Confident90.4Very high79 Ų7979.2 Ų79.251%0.51341%0.407SS..Hα-helixtrans-60.4-26.9177-24.433.9000114.2K538P534-K538 PolarHBondContact O-N 3.26Å
535V88.5Confident89.7Confident97 Ų9779 Ų7959%0.58841%0.408SS*.Hα-helixtrans-72.1-50.7-180-177.80000109D533 A537 K538 E539D533-V535 PolarHBondContact O-N 3.32Å; D533-V535 WeakPolarHBondContact OD1-CB 3.18Å; D533-V535 PolarHBondContact OD1-N 2.84Å; V535-A537 VanDerWaalsContact C-N 3.28Å; V535-A537 PolarHBondContact O-N 3.07Å; V535-K538 WeakPolarHBondContact O-CB 3.36Å; V535-K538 PolarHBondContact O-N 3.37Å; V535-K538 VanDerWaalsContact O-N 3.1Å; V535-E539 PolarHBondContact O-N 2.94Å
536T89.6Confident89.1Confident53 Ų5379.8 Ų79.833%0.32542%0.419SS..Hα-helixtrans-60.1-39.7174-64.90000111.1L529 D533 K538 E539 V540L529-T536 HydrophobicContact CD2-CG2 4.31Å; D533-T536 VanDerWaalsContact CG-OG1 3.3Å; D533-T536 PolarHBondContact O-N 2.78Å; D533-T536 PolarHBondContact OD1-N 2.95Å; D533-T536 WeakPolarHBondContact OD2-CB 3.48Å; D533-T536 PolarHBondContact OD2-OG1 3.25Å; T536-K538 VanDerWaalsContact C-N 3.3Å; T536-K538 PolarHBondContact O-N 2.77Å; T536-E539 PolarHBondContact O-N 3.02Å; T536-V540 HydrophobicContact CG2-CG2 4.16Å; T536-V540 WeakPolarHBondContact O-CG2 3.43Å; T536-V540 PolarHBondContact O-N 2.77Å
537A90.1Very high88.4Confident0 Ų083.4 Ų83.40%044%0.44CS..Hα-helixtrans-57.9-42.917500000111.9L493 L529 L530 D533 V535 V540 V541L493-A537 HydrophobicContact CD2-CB 4.19Å; L529-A537 HydrophobicContact CB-CB 3.91Å; L530-A537 HydrophobicContact CD2-CB 4.06Å; D533-A537 WeakPolarHBondContact O-CB 3.43Å; D533-A537 PolarHBondContact O-N 3.29Å; V535-A537 VanDerWaalsContact C-N 3.28Å; V535-A537 PolarHBondContact O-N 3.07Å; A537-V540 PolarHBondContact O-N 3.21Å; A537-V541 VanDerWaalsContact O-CB 3.29Å; A537-V541 WeakPolarHBondContact O-CB 3.25Å; A537-V541 VanDerWaalsContact O-CG2 3.22Å; A537-V541 WeakPolarHBondContact O-CG2 3.47Å; A537-V541 PolarHBondContact O-N 3.26Å
538K89.5Confident87.7Confident105 Ų10578.8 Ų78.846%0.45742%0.424SS..Hα-helixtrans-62.1-46.6176.1-165.8175.4-179.3169.20111.8L493 P534 V535 T536 V540 L542L493-K538 HydrophobicContact CD2-CB 4.37Å; P534-K538 PolarHBondContact O-N 3.26Å; V535-K538 WeakPolarHBondContact O-CB 3.36Å; V535-K538 PolarHBondContact O-N 3.37Å; V535-K538 VanDerWaalsContact O-N 3.1Å; T536-K538 VanDerWaalsContact C-N 3.3Å; T536-K538 PolarHBondContact O-N 2.77Å; K538-V540 PolarHBondContact O-N 3.26Å; K538-L542 HydrophobicContact CD-CD1 4.38Å; K538-L542 HydrophobicContact CG-CD1 3.65Å; K538-L542 HydrophobicContact CG-CG 4.26Å; K538-L542 VanDerWaalsContact O-CB 3.24Å; K538-L542 WeakPolarHBondContact O-CB 3.49Å; K538-L542 PolarHBondContact O-N 3.11Å
539E89.6Confident86.6Confident137 Ų13774.6 Ų74.664%0.6442%0.418SS*.Hα-helixtrans-62.6-40.7179.1-69-179.217700112.7V535 T536 S543V535-E539 PolarHBondContact O-N 2.94Å; T536-E539 PolarHBondContact O-N 3.02Å; E539-S543 WeakPolarHBondContact O-CB 3.37Å; E539-S543 PolarHBondContact O-N 3.18Å
540V89.9Confident85.4Confident79 Ų7977.1 Ų77.148%0.47943%0.428SS..Hα-helixtrans-73.2-50.5-179.9173.50000111.4L529 T536 A537 K538 S543L529-V540 HydrophobicContact CD1-CG1 4.34Å; T536-V540 HydrophobicContact CG2-CG2 4.16Å; T536-V540 WeakPolarHBondContact O-CG2 3.43Å; T536-V540 PolarHBondContact O-N 2.77Å; A537-V540 PolarHBondContact O-N 3.21Å; K538-V540 PolarHBondContact O-N 3.26Å; V540-S543 WeakPolarHBondContact O-CB 3.36Å; V540-S543 PolarHBondContact O-OG 3.13Å
541V90.8Very high83.7Confident14 Ų1482.8 Ų82.89%0.08545%0.454CS..Hα-helixtrans-77.7-34.5-170.9-179.80000112.8V489 K490 L493 Y526 A537 S543V489-V541 HydrophobicContact CG1-CG1 4.19Å; V489-V541 HydrophobicContact CG1-CG2 4.31Å; K490-V541 WeakPolarHBondContact CE-O 3.39Å; K490-V541 HydrophobicContact CG-CG1 3.63Å; L493-V541 HydrophobicContact CD1-CB 3.64Å; L493-V541 HydrophobicContact CD1-CG1 3.9Å; L493-V541 HydrophobicContact CD1-CG2 4.04Å; Y526-V541 HydrophobicContact CD1-CG2 3.96Å; Y526-V541 HydrophobicContact CE1-CG2 3.62Å; A537-V541 VanDerWaalsContact O-CB 3.29Å; A537-V541 WeakPolarHBondContact O-CB 3.25Å; A537-V541 VanDerWaalsContact O-CG2 3.22Å; A537-V541 WeakPolarHBondContact O-CG2 3.47Å; A537-V541 PolarHBondContact O-N 3.26Å; V541-S543 VanDerWaalsContact C-N 3.35Å
542L90.1Very high82.2Confident51 Ų5184.8 Ų84.827%0.26746%0.463SS..THydrogen-bonded Turntrans-97.616.7178.4-52.6-175000112.7K490 L493 K494 K538K490-L542 HydrophobicContact CB-CD2 4.14Å; K490-L542 HydrophobicContact CD-CD2 4.41Å; K490-L542 HydrophobicContact CG-CD2 3.77Å; L493-L542 HydrophobicContact CB-CD1 4.35Å; K494-L542 HydrophobicContact CG-CD1 4.21Å; K538-L542 HydrophobicContact CD-CD1 4.38Å; K538-L542 HydrophobicContact CG-CD1 3.65Å; K538-L542 HydrophobicContact CG-CG 4.26Å; K538-L542 VanDerWaalsContact O-CB 3.24Å; K538-L542 WeakPolarHBondContact O-CB 3.49Å; K538-L542 PolarHBondContact O-N 3.11Å
543S88Confident81.2Confident65 Ų6582.9 Ų82.946%0.45545%0.448SS..PPolyproline II helixtrans-57.9148.5175.952.20000112.1E539 V540 V541 K545E539-S543 WeakPolarHBondContact O-CB 3.37Å; E539-S543 PolarHBondContact O-N 3.18Å; V540-S543 WeakPolarHBondContact O-CB 3.36Å; V540-S543 PolarHBondContact O-OG 3.13Å; V541-S543 VanDerWaalsContact C-N 3.35Å; S543-K545 PolarHBondContact O-N 3.19Å
544E81.8Confident80.6Confident193 Ų19384.7 Ų84.790%0.90246%0.458SS*.PPolyproline II helixtrans-63.3129.8174-70.8-174.7174.400110.4
545K81.1Confident80.7Confident67 Ų6782.4 Ų82.429%0.29144%0.441SS..PPolyproline II helixtrans-87.9149-179.9-63.1-178.6-162.8117.50110.6W450 E454 S543 L547W450-K545 HydrophobicContact CZ2-CD 4.17Å; E454-K545 IonicContact OE1-NZ 2.67Å; E454-K545 PolarHBondContact OE1-NZ 2.73Å; E454-K545 IonicContact OE2-NZ 3.94Å; E454-K545 PolarHBondContact OE2-NZ 3.39Å; S543-K545 PolarHBondContact O-N 3.19Å; K545-L547 PolarHBondContact O-N 2.92Å
546P82.3Confident80.7Confident107 Ų10783.6 Ų83.670%0.69544%0.44SS*.PPolyproline II helixtrans-55.5131.6169-23.232.9000110.8
547L80.6Confident80.6Confident104 Ų10485.6 Ų85.655%0.54545%0.454SS..PPolyproline II helixtrans-64141.7173.3-59178.9000109.2R419 K545R419-L547 WeakPolarHBondContact O-CD2 3.19Å; K545-L547 PolarHBondContact O-N 2.92Å
548I79.8Confident80.5Confident36 Ų3689 Ų8919%0.18548%0.475CS..PPolyproline II helixtrans-67.7135173.3-61.8178.9000108.6I382 D416 R419 K420I382-I548 HydrophobicContact CD1-CG2 4.33Å; D416-I548 HydrophobicContact CB-CD1 3.73Å; R419-I548 HydrophobicContact CB-CD1 3.69Å; R419-I548 HydrophobicContact CB-CG1 3.96Å; R419-I548 HydrophobicContact CG-CD1 4.4Å; K420-I548 VanDerWaalsContact CD-O 3.24Å; K420-I548 WeakPolarHBondContact CD-O 3.18Å; K420-I548 PolarHBondContact NZ-O 2.75Å
549S69.7Low80.6Confident59 Ų5986 Ų8641%0.41346%0.464SS..  trans-105.5156.8173.3640000111.2E551S549-E551 VanDerWaalsContact C-N 3.27Å
550E65.9Low80.7Confident89 Ų8980.1 Ų80.142%0.41644%0.436SS..SBendtrans-71.5-22.8176.2-175.4-176.2173.100112.6K383 T552K383-E550 HydrophobicContact CB-CG 4.47Å; K383-E550 WeakPolarHBondContact CD-OE1 3.31Å; K383-E550 VanDerWaalsContact CE-OE1 3.27Å; K383-E550 WeakPolarHBondContact CE-OE1 3.41Å; K383-E550 VanDerWaalsContact CG-OE1 3.23Å; K383-E550 WeakPolarHBondContact CG-OE1 3.22Å; K383-E550 WeakPolarHBondContact CG-OE2 3.15Å; E550-T552 PolarHBondContact O-N 2.94Å
551E55.7Low80.8Confident147 Ų14777.4 Ų77.469%0.68742%0.419SS*.G310 helixtrans-65.7-9.4-159.7-64.2-179.5161.800115.7S549 D553 L554S549-E551 VanDerWaalsContact C-N 3.27Å; E551-D553 PolarHBondContact O-N 3.39Å; E551-D553 VanDerWaalsContact O-N 3.08Å; E551-L554 PolarHBondContact O-N 3.43Å
552T57.1Low80.9Confident120 Ų12077.4 Ų77.474%0.73642%0.418SS*.G310 helixtrans-64.2-18.8-172.1-43.10000113.9E550E550-T552 PolarHBondContact O-N 2.94Å
553D69.8Low81.1Confident78 Ų7875 Ų7542%0.41741%0.405SS..G310 helixtrans-113.511.7-174.4-58-44.7000114.8R344 R379 E551R344-D553 PolarHBondContact NH1-O 3.07Å; R344-D553 PolarHBondContact NH2-O 3.28Å; R379-D553 IonicContact CZ-OD2 3.88Å; R379-D553 IonicContact NE-OD2 3.72Å; R379-D553 PolarHBondContact NE-OD2 3.18Å; R379-D553 VanDerWaalsContact NH2-CB 3.32Å; R379-D553 VanDerWaalsContact NH2-CG 3.33Å; R379-D553 IonicContact NH2-OD2 3.3Å; R379-D553 PolarHBondContact NH2-OD2 3Å; E551-D553 PolarHBondContact O-N 3.39Å; E551-D553 VanDerWaalsContact O-N 3.08Å
554L79.2Confident81.4Confident99 Ų9971.9 Ų71.952%0.51838%0.384SS..PPolyproline II helixtrans-87.4139.9175.8-61.8-176.1000110.8R344 E551R344-L554 VanDerWaalsContact NH1-CD2 3.25Å; E551-L554 PolarHBondContact O-N 3.43Å
555I85.8Confident81.9Confident30 Ų3063.3 Ų63.315%0.15435%0.345CS..PPolyproline II helixtrans-69.3137.3168.2-62.7175.4000107.8L308 L559 L560 L563 H575L308-I555 HydrophobicContact CD2-CD1 3.43Å; L308-I555 VanDerWaalsContact CD2-CD1 3.43Å; I555-L559 HydrophobicContact CG2-CB 4.03Å; I555-L559 HydrophobicContact CG2-CD2 3.92Å; I555-L559 HydrophobicContact CG2-CG 3.85Å; I555-L560 HydrophobicContact CG2-CB 4.08Å; I555-L563 HydrophobicContact CD1-CD1 4.27Å; I555-L563 HydrophobicContact CG2-CD1 4.31Å; I555-H575 HydrophobicContact CD1-CB 4.19Å
556E87.7Confident82.4Confident122 Ų12261.2 Ų61.257%0.5734%0.336SS*.PPolyproline II helixtrans-52.3132.5175.7-169.1-164.7156.200110.1T558 L559 L560E556-T558 PolarHBondContact O-N 3.36Å; E556-T558 VanDerWaalsContact O-N 3.12Å; E556-T558 PolarHBondContact OE1-OG1 3.43Å; E556-L559 HydrophobicContact CB-CB 4.29Å; E556-L559 PolarHBondContact O-N 2.91Å; E556-L560 PolarHBondContact O-N 2.88Å
557P87.9Confident83.1Confident95 Ų9556.1 Ų56.162%0.61730%0.303SS*.Hα-helixtrans-53.7-36.8-174.6-30.435.7000115L560 D561P557-L560 PolarHBondContact O-N 3.38Å; P557-D561 PolarHBondContact O-N 3.15Å
558T89Confident83.6Confident73 Ų7353.1 Ų53.145%0.44830%0.297SS..Hα-helixtrans-66.6-44.8178.558.90000111.6E556 L560 D561 E562E556-T558 PolarHBondContact O-N 3.36Å; E556-T558 VanDerWaalsContact O-N 3.12Å; E556-T558 PolarHBondContact OE1-OG1 3.43Å; T558-L560 VanDerWaalsContact C-N 3.35Å; T558-D561 PolarHBondContact O-N 2.99Å; T558-E562 PolarHBondContact O-N 3Å; T558-E562 VanDerWaalsContact O-N 3.13Å
559L90.9Very high84.2Confident42 Ų4253.4 Ų53.422%0.2230%0.302CS..Hα-helixtrans-67-37.9175176.459.4000111.1I555 E556 D561 E562 L563 P577I555-L559 HydrophobicContact CG2-CB 4.03Å; I555-L559 HydrophobicContact CG2-CD2 3.92Å; I555-L559 HydrophobicContact CG2-CG 3.85Å; E556-L559 HydrophobicContact CB-CB 4.29Å; E556-L559 PolarHBondContact O-N 2.91Å; L559-D561 VanDerWaalsContact C-N 3.34Å; L559-E562 PolarHBondContact O-N 3.22Å; L559-L563 HydrophobicContact CD1-CD1 4.09Å; L559-L563 HydrophobicContact CD1-CD2 4.49Å; L559-L563 HydrophobicContact CD1-CG 3.96Å; L559-L563 HydrophobicContact CG-CD1 3.9Å; L559-L563 HydrophobicContact CG-CG 4.23Å; L559-L563 WeakPolarHBondContact O-CB 3.36Å; L559-L563 VanDerWaalsContact O-CG 3.24Å; L559-L563 WeakPolarHBondContact O-CG 3.48Å; L559-L563 PolarHBondContact O-N 3.4Å; L559-P577 HydrophobicContact CD1-CB 4.31Å; L559-P577 HydrophobicContact CD1-CG 4.28Å
560L92.5Very high85.3Confident12 Ų1255.3 Ų55.36%0.06331%0.307CS..Hα-helixtrans-60.2-46.6175.4-179.661000110.7L308 Q311 K312 I555 E556 P557 T558 E562 L563 I564L308-L560 HydrophobicContact CB-CD1 4.17Å; L308-L560 HydrophobicContact CD2-CD1 3.89Å; Q311-L560 HydrophobicContact CB-CD1 4.2Å; Q311-L560 HydrophobicContact CB-CD2 3.87Å; K312-L560 HydrophobicContact CB-CD2 4.19Å; K312-L560 HydrophobicContact CD-CD2 4.44Å; I555-L560 HydrophobicContact CG2-CB 4.08Å; E556-L560 PolarHBondContact O-N 2.88Å; P557-L560 PolarHBondContact O-N 3.38Å; T558-L560 VanDerWaalsContact C-N 3.35Å; L560-E562 VanDerWaalsContact C-N 3.3Å; L560-E562 PolarHBondContact O-N 2.88Å; L560-L563 PolarHBondContact O-N 3.16Å; L560-I564 HydrophobicContact CD1-CG1 4.37Å; L560-I564 VanDerWaalsContact O-CG1 3.27Å; L560-I564 WeakPolarHBondContact O-CG1 3.42Å; L560-I564 PolarHBondContact O-N 2.66Å
561D92.4Very high86.6Confident22 Ų2251.2 Ų51.212%0.11829%0.288CS..Hα-helixtrans-60.4-40.5177.6-74-4.8000112K312 P557 T558 L559 C565 H592 L593K312-D561 WeakPolarHBondContact CE-OD1 3.28Å; K312-D561 IonicContact NZ-OD1 3.77Å; K312-D561 PolarHBondContact NZ-OD1 2.63Å; K312-D561 IonicContact NZ-OD2 2.77Å; P557-D561 PolarHBondContact O-N 3.15Å; T558-D561 PolarHBondContact O-N 2.99Å; L559-D561 VanDerWaalsContact C-N 3.34Å; D561-C565 PolarHBondContact O-N 3.16Å; D561-C565 PolarHBondContact O-SG 3Å; D561-H592 IonicContact OD2-CE1 2.75Å; D561-H592 PolarHBondContact OD2-CE1 2.86Å; D561-H592 IonicContact OD2-NE2 3.68Å; D561-L593 HydrophobicContact CB-CB 4.22Å; D561-L593 HydrophobicContact CB-CD1 3.92Å; D561-L593 HydrophobicContact CB-CG 4.03Å; D561-L593 WeakPolarHBondContact OD1-CD1 3.48Å
562E91.4Very high88.4Confident14 Ų1444.2 Ų44.27%0.06526%0.256CS..Hα-helixtrans-63-48.2172.7-175.1176.6168.500111.8T558 L559 L560 I564 C565 H566 P577 K591T558-E562 PolarHBondContact O-N 3Å; T558-E562 VanDerWaalsContact O-N 3.13Å; L559-E562 PolarHBondContact O-N 3.22Å; L560-E562 VanDerWaalsContact C-N 3.3Å; L560-E562 PolarHBondContact O-N 2.88Å; E562-I564 VanDerWaalsContact C-N 3.32Å; E562-I564 PolarHBondContact O-N 3.37Å; E562-C565 WeakPolarHBondContact O-CA 3.36Å; E562-C565 VanDerWaalsContact O-CB 3.26Å; E562-C565 WeakPolarHBondContact O-CB 3.36Å; E562-C565 PolarHBondContact O-N 3.31Å; E562-H566 PolarHBondContact O-CD2 2.91Å; E562-H566 VanDerWaalsContact O-CD2 3.27Å; E562-P577 WeakPolarHBondContact OE1-CB 3.38Å; E562-K591 WeakPolarHBondContact CA-O 3.39Å
563L94.1Very high90.2Very high0 Ų039.2 Ų39.20%023%0.225CC..Hα-helixtrans-66-31.5-178.4-70.7174.1000113.1L308 I555 L559 L560 C565 H566 I567 A571 H575L308-L563 HydrophobicContact CD1-CB 3.91Å; L308-L563 HydrophobicContact CD2-CB 4.22Å; L308-L563 HydrophobicContact CD2-CD1 3.95Å; I555-L563 HydrophobicContact CD1-CD1 4.27Å; I555-L563 HydrophobicContact CG2-CD1 4.31Å; L559-L563 HydrophobicContact CD1-CD1 4.09Å; L559-L563 HydrophobicContact CD1-CD2 4.49Å; L559-L563 HydrophobicContact CD1-CG 3.96Å; L559-L563 HydrophobicContact CG-CD1 3.9Å; L559-L563 HydrophobicContact CG-CG 4.23Å; L559-L563 WeakPolarHBondContact O-CB 3.36Å; L559-L563 VanDerWaalsContact O-CG 3.24Å; L559-L563 WeakPolarHBondContact O-CG 3.48Å; L559-L563 PolarHBondContact O-N 3.4Å; L560-L563 PolarHBondContact O-N 3.16Å; L563-C565 PolarHBondContact O-N 2.77Å; L563-H566 CarbonylContact O-C 3.57Å; L563-H566 WeakPolarHBondContact O-CA 3.39Å; L563-H566 PolarHBondContact O-N 3.5Å; L563-I567 PolarHBondContact O-N 3.46Å; L563-A571 HydrophobicContact CD2-CB 4.39Å; L563-A571 WeakPolarHBondContact CD2-O 3.49Å; L563-H575 HydrophobicContact CD1-CB 4.35Å
564I94.3Very high91.3Very high1 Ų141.3 Ų41.31%0.00523%0.228CC..Hα-helixtrans-61.5-35.2172.4-68.8-66.7000110.8M264 L308 K312 L560 E562 H566 I567 L593M264-I564 HydrophobicContact CB-CG2 3.96Å; M264-I564 HydrophobicContact CE-CD1 4.12Å; L308-I564 HydrophobicContact CB-CD1 3.99Å; K312-I564 HydrophobicContact CB-CD1 4.27Å; K312-I564 HydrophobicContact CB-CG1 4.46Å; L560-I564 HydrophobicContact CD1-CG1 4.37Å; L560-I564 VanDerWaalsContact O-CG1 3.27Å; L560-I564 WeakPolarHBondContact O-CG1 3.42Å; L560-I564 PolarHBondContact O-N 2.66Å; E562-I564 VanDerWaalsContact C-N 3.32Å; E562-I564 PolarHBondContact O-N 3.37Å; I564-H566 PolarHBondContact O-N 3.17Å; I564-I567 HydrophobicContact CD1-CD1 3.99Å; I564-I567 HydrophobicContact CG2-CD1 4.15Å; I564-I567 WeakPolarHBondContact O-CG1 3.29Å; I564-I567 PolarHBondContact O-N 3.02Å; I564-L593 HydrophobicContact CB-CD1 4.35Å; I564-L593 HydrophobicContact CG2-CD1 4.25Å; I564-L593 HydrophobicContact CG2-CD2 3.95Å
565C92.6Very high92Very high12 Ų1238.1 Ų38.18%0.08121%0.21CC..THydrogen-bonded Turntrans-68.7-11.4175-59.10000113K261 D561 E562 L563 K591K261-C565 WeakPolarHBondContact CD-O 3.44Å; D561-C565 PolarHBondContact O-N 3.16Å; D561-C565 PolarHBondContact O-SG 3Å; E562-C565 WeakPolarHBondContact O-CA 3.36Å; E562-C565 VanDerWaalsContact O-CB 3.26Å; E562-C565 WeakPolarHBondContact O-CB 3.36Å; E562-C565 PolarHBondContact O-N 3.31Å; L563-C565 PolarHBondContact O-N 2.77Å; C565-K591 HydrophobicContact CB-CB 3.81Å; C565-K591 HydrophobicContact CB-CD 4.48Å
566H92.9Very high92.3Very high24 Ų2442.4 Ų42.411%0.11123%0.228CC..THydrogen-bonded Turntrans-11515-177.3-74.2-68.8000113.5E562 L563 I564 G568 S569 A571 S572E562-H566 PolarHBondContact O-CD2 2.91Å; E562-H566 VanDerWaalsContact O-CD2 3.27Å; L563-H566 CarbonylContact O-C 3.57Å; L563-H566 WeakPolarHBondContact O-CA 3.39Å; L563-H566 PolarHBondContact O-N 3.5Å; I564-H566 PolarHBondContact O-N 3.17Å; H566-G568 PolarHBondContact O-N 3.22Å; H566-S569 WeakPolarHBondContact CB-OG 3.44Å; H566-S569 VanDerWaalsContact O-CB 3.31Å; H566-S569 WeakPolarHBondContact O-CB 3.32Å; H566-S569 PolarHBondContact O-N 3.38Å; H566-S569 PolarHBondContact O-OG 2.69Å; H566-A571 HydrophobicContact CB-CB 4.02Å; H566-S572 VanDerWaalsContact O-CB 3.3Å; H566-S572 WeakPolarHBondContact O-CB 3.35Å; H566-S572 PolarHBondContact O-OG 3.41Å
567I95.5Very high92.3Very high0 Ų038.1 Ų38.10%021%0.211CC..THydrogen-bonded Turntrans-50.8134.5174.5-74169.1000110.8L257 K261 M264 N305 I309 L563 I564 S569L257-I567 HydrophobicContact CB-CG2 4.45Å; L257-I567 HydrophobicContact CD2-CG2 4.25Å; K261-I567 HydrophobicContact CB-CB 3.89Å; K261-I567 HydrophobicContact CB-CG2 4.09Å; K261-I567 WeakPolarHBondContact CD-O 3.41Å; K261-I567 HydrophobicContact CG-CB 4.24Å; M264-I567 HydrophobicContact CB-CD1 4.32Å; M264-I567 HydrophobicContact CG-CD1 4.19Å; N305-I567 WeakPolarHBondContact OD1-CA 3.28Å; N305-I567 WeakPolarHBondContact OD1-CG2 3.37Å; I309-I567 HydrophobicContact CD1-CD1 4.25Å; I309-I567 HydrophobicContact CG1-CD1 3.94Å; L563-I567 PolarHBondContact O-N 3.46Å; I564-I567 HydrophobicContact CD1-CD1 3.99Å; I564-I567 HydrophobicContact CG2-CD1 4.15Å; I564-I567 WeakPolarHBondContact O-CG1 3.29Å; I564-I567 PolarHBondContact O-N 3.02Å; I567-S569 VanDerWaalsContact C-N 3.32Å
568G91Very high92.1Very high40 Ų4034.2 Ų34.241%0.41219%0.185SC..THydrogen-bonded Turntrans83.31.9-177.200000114.8N305 H566 S572N305-G568 PolarHBondContact OD1-N 3.28Å; H566-G568 PolarHBondContact O-N 3.22Å; G568-S572 PolarHBondContact N-OG 3.47Å
569S93Very high91.8Very high42 Ų4234.7 Ų34.729%0.29419%0.185SC..SBendtrans-109.5169.1175.277.80000113H566 I567 A571 S572 V573H566-S569 WeakPolarHBondContact CB-OG 3.44Å; H566-S569 VanDerWaalsContact O-CB 3.31Å; H566-S569 WeakPolarHBondContact O-CB 3.32Å; H566-S569 PolarHBondContact O-N 3.38Å; H566-S569 PolarHBondContact O-OG 2.69Å; I567-S569 VanDerWaalsContact C-N 3.32Å; S569-A571 PolarHBondContact O-N 3.45Å; S569-A571 PolarHBondContact OG-N 2.97Å; S569-S572 PolarHBondContact N-OG 3.45Å; S569-S572 PolarHBondContact O-N 3.16Å; S569-S572 VanDerWaalsContact O-N 3.15Å; S569-S572 PolarHBondContact O-OG 2.97Å; S569-V573 PolarHBondContact O-N 3.18Å
570L92.7Very high91.4Very high100 Ų10035.9 Ų35.952%0.52420%0.201SC..Hα-helixtrans-57.3-32.3175.2-72.3174.2000113.4S572 V573 Y574 F581L570-S572 VanDerWaalsContact C-N 3.35Å; L570-S572 PolarHBondContact O-N 3.4Å; L570-V573 CarbonylContact O-C 3.35Å; L570-V573 PolarHBondContact O-N 3.01Å; L570-V573 VanDerWaalsContact O-N 3.12Å; L570-Y574 HydrophobicContact CB-CD2 4.4Å; L570-Y574 HydrophobicContact CB-CE2 4.26Å; L570-Y574 HydrophobicContact CD2-CE2 4.39Å; L570-Y574 WeakPolarHBondContact O-CB 3.46Å; L570-Y574 PolarHBondContact O-N 3.35Å; L570-F581 HydrophobicContact CB-CE2 4.16Å; L570-F581 HydrophobicContact CB-CZ 4.19Å
571A93Very high91Very high2 Ų239 Ų392%0.01721%0.214CC..Hα-helixtrans-61.1-44.2177.300000111.8L563 H566 S569 V573 Y574 H575 K576 P578 F581L563-A571 HydrophobicContact CD2-CB 4.39Å; L563-A571 WeakPolarHBondContact CD2-O 3.49Å; H566-A571 HydrophobicContact CB-CB 4.02Å; S569-A571 PolarHBondContact O-N 3.45Å; S569-A571 PolarHBondContact OG-N 2.97Å; A571-V573 VanDerWaalsContact C-N 3.28Å; A571-V573 PolarHBondContact O-N 3.45Å; A571-Y574 PolarHBondContact O-N 2.8Å; A571-H575 WeakPolarHBondContact O-CA 3.48Å; A571-H575 PolarHBondContact O-N 3.25Å; A571-K576 VanDerWaalsContact CA-O 3.32Å; A571-K576 WeakPolarHBondContact CA-O 3.26Å; A571-K576 VanDerWaalsContact CB-O 3.27Å; A571-K576 WeakPolarHBondContact CB-O 3.49Å; A571-K576 PolarHBondContact O-N 2.92Å; A571-P578 HydrophobicContact CB-CG 3.91Å; A571-F581 HydrophobicContact CB-CE1 4.18Å; A571-F581 HydrophobicContact CB-CZ 4.02Å
572S93.4Very high90.3Very high0 Ų040.9 Ų40.90%023%0.226CC..Hα-helixtrans-66.6-28.217569.80000113.3N305 H566 G568 S569 L570 H575N305-S572 PolarHBondContact ND2-OG 3.34Å; N305-S572 WeakPolarHBondContact OD1-CB 3.29Å; N305-S572 PolarHBondContact OD1-OG 2.93Å; H566-S572 VanDerWaalsContact O-CB 3.3Å; H566-S572 WeakPolarHBondContact O-CB 3.35Å; H566-S572 PolarHBondContact O-OG 3.41Å; G568-S572 PolarHBondContact N-OG 3.47Å; S569-S572 PolarHBondContact N-OG 3.45Å; S569-S572 PolarHBondContact O-N 3.16Å; S569-S572 VanDerWaalsContact O-N 3.15Å; S569-S572 PolarHBondContact O-OG 2.97Å; L570-S572 VanDerWaalsContact C-N 3.35Å; L570-S572 PolarHBondContact O-N 3.4Å; S572-H575 PolarHBondContact O-CD2 3.42Å; S572-H575 PolarHBondContact O-NE2 3.41Å
573V94.4Very high89.2Confident15 Ų1549.4 Ų49.49%0.09127%0.266CS..Hα-helixtrans-80-36.7176.51780000111Y300 V301 R304 S569 L570 A571 H575Y300-V573 HydrophobicContact CE1-CG1 4.2Å; V301-V573 HydrophobicContact CG1-CG2 3.95Å; V301-V573 HydrophobicContact CG2-CG2 4.34Å; R304-V573 HydrophobicContact CG-CG1 4.38Å; R304-V573 PolarHBondContact NE-O 2.7Å; R304-V573 PolarHBondContact NH2-O 2.9Å; S569-V573 PolarHBondContact O-N 3.18Å; L570-V573 CarbonylContact O-C 3.35Å; L570-V573 PolarHBondContact O-N 3.01Å; L570-V573 VanDerWaalsContact O-N 3.12Å; A571-V573 VanDerWaalsContact C-N 3.28Å; A571-V573 PolarHBondContact O-N 3.45Å; V573-H575 VanDerWaalsContact C-N 3.34Å
574Y93.8Very high87.5Confident122 Ų12253 Ų5348%0.47830%0.303SS..Hα-helixtrans-84.1-9.7178.2-65.6-28.4000113.9L570 A571 K576 F581L570-Y574 HydrophobicContact CB-CD2 4.4Å; L570-Y574 HydrophobicContact CB-CE2 4.26Å; L570-Y574 HydrophobicContact CD2-CE2 4.39Å; L570-Y574 WeakPolarHBondContact O-CB 3.46Å; L570-Y574 PolarHBondContact O-N 3.35Å; A571-Y574 PolarHBondContact O-N 2.8Å; Y574-K576 PolarHBondContact O-N 3.2Å; Y574-F581 HydrophobicContact CD2-CD1 4.31Å; Y574-F581 HydrophobicContact CD2-CE1 4.22Å; Y574-F581 HydrophobicContact CD2-CE2 4.43Å; Y574-F581 HydrophobicContact CD2-CG 4.46Å; Y574-F581 HydrophobicContact CD2-CZ 4.28Å
575H93.8Very high85.3Confident33 Ų3355.9 Ų55.915%0.15332%0.323CS..THydrogen-bonded Turntrans50.941-170.1-61.3161.8000111.5R304 I555 L563 A571 S572 V573R304-H575 VanDerWaalsContact CZ-ND1 3.33Å; R304-H575 PolarHBondContact NH1-CE1 3.22Å; R304-H575 PolarHBondContact NH1-ND1 3.13Å; R304-H575 VanDerWaalsContact NH1-ND1 3.16Å; R304-H575 PolarHBondContact NH2-ND1 3.1Å; R304-H575 VanDerWaalsContact NH2-ND1 3.2Å; R304-H575 PolarHBondContact O-NE2 3.38Å; I555-H575 HydrophobicContact CD1-CB 4.19Å; L563-H575 HydrophobicContact CD1-CB 4.35Å; A571-H575 WeakPolarHBondContact O-CA 3.48Å; A571-H575 PolarHBondContact O-N 3.25Å; S572-H575 PolarHBondContact O-CD2 3.42Å; S572-H575 PolarHBondContact O-NE2 3.41Å; V573-H575 VanDerWaalsContact C-N 3.34Å
576K91.4Very high83.1Confident119 Ų11965 Ų6552%0.51736%0.364SS..SBendtrans-136.8144-180-71.4-178.9-176.6-177.40109.5A571 Y574 A580 F581A571-K576 VanDerWaalsContact CA-O 3.32Å; A571-K576 WeakPolarHBondContact CA-O 3.26Å; A571-K576 VanDerWaalsContact CB-O 3.27Å; A571-K576 WeakPolarHBondContact CB-O 3.49Å; A571-K576 PolarHBondContact O-N 2.92Å; Y574-K576 PolarHBondContact O-N 3.2Å; K576-A580 HydrophobicContact CB-CB 4.32Å; K576-F581 HydrophobicContact CB-CD1 4.41Å; K576-F581 HydrophobicContact CB-CE1 4.49Å
577P87.4Confident80.8Confident33 Ų3364.6 Ų64.621%0.21437%0.366CS..  trans-65.1149.817629.8-33.7000109.6L559 E562 N579 A580 F581L559-P577 HydrophobicContact CD1-CB 4.31Å; L559-P577 HydrophobicContact CD1-CG 4.28Å; E562-P577 WeakPolarHBondContact OE1-CB 3.38Å; P577-N579 PolarHBondContact O-N 2.92Å; P577-N579 VanDerWaalsContact O-N 3.14Å; P577-A580 HydrophobicContact CG-CB 4.19Å; P577-A580 VanDerWaalsContact O-CB 3.31Å; P577-A580 WeakPolarHBondContact O-CB 3.37Å; P577-A580 PolarHBondContact O-N 3.3Å; P577-F581 WeakPolarHBondContact O-CE1 3.43Å
578P84.6Confident78.5Confident12 Ų1266.7 Ų66.78%0.07838%0.377CS..G310 helixtrans-52.3-37.9-179.6-26.232.9000113.7A571 A580 F581 V582 I588A571-P578 HydrophobicContact CB-CG 3.91Å; P578-A580 PolarHBondContact O-N 2.92Å; P578-F581 PolarHBondContact O-N 3.2Å; P578-V582 WeakPolarHBondContact O-CB 3.5Å; P578-V582 WeakPolarHBondContact O-CG2 3.31Å; P578-V582 PolarHBondContact O-N 3.34Å; P578-I588 HydrophobicContact CB-CD1 3.77Å; P578-I588 HydrophobicContact CB-CG2 4.13Å; P578-I588 HydrophobicContact CG-CG2 4.25Å
579N81.7Confident76.6Confident84 Ų8471 Ų7145%0.44939%0.387SS..G310 helixtrans-62.6-14.5-179-61.23.6000113.5P577 I588P577-N579 PolarHBondContact O-N 2.92Å; P577-N579 VanDerWaalsContact O-N 3.14Å; N579-I588 WeakPolarHBondContact OD1-CB 3.28Å; N579-I588 VanDerWaalsContact OD1-CG2 3.32Å; N579-I588 WeakPolarHBondContact OD1-CG2 3.37Å
580A83.8Confident74.6Confident66 Ų6678.9 Ų78.955%0.54541%0.41SS..G310 helixtrans-80.9-15.2176.900000113.5K576 P577 P578K576-A580 HydrophobicContact CB-CB 4.32Å; P577-A580 HydrophobicContact CG-CB 4.19Å; P577-A580 VanDerWaalsContact O-CB 3.31Å; P577-A580 WeakPolarHBondContact O-CB 3.37Å; P577-A580 PolarHBondContact O-N 3.3Å; P578-A580 PolarHBondContact O-N 2.92Å
581F83.8Confident73Confident79 Ų7977.3 Ų77.335%0.34640%0.399SS..THydrogen-bonded Turntrans-143-1.8-175.663.3-92.1000114.9L570 A571 Y574 K576 P577 P578L570-F581 HydrophobicContact CB-CE2 4.16Å; L570-F581 HydrophobicContact CB-CZ 4.19Å; A571-F581 HydrophobicContact CB-CE1 4.18Å; A571-F581 HydrophobicContact CB-CZ 4.02Å; Y574-F581 HydrophobicContact CD2-CD1 4.31Å; Y574-F581 HydrophobicContact CD2-CE1 4.22Å; Y574-F581 HydrophobicContact CD2-CE2 4.43Å; Y574-F581 HydrophobicContact CD2-CG 4.46Å; Y574-F581 HydrophobicContact CD2-CZ 4.28Å; K576-F581 HydrophobicContact CB-CD1 4.41Å; K576-F581 HydrophobicContact CB-CE1 4.49Å; P577-F581 WeakPolarHBondContact O-CE1 3.43Å; P578-F581 PolarHBondContact O-N 3.2Å
582V77.4Confident71.3Confident60 Ų6081.8 Ų81.836%0.36442%0.419SS..  trans-109111.8173-175.70000108.6P578 I588P578-V582 WeakPolarHBondContact O-CB 3.5Å; P578-V582 WeakPolarHBondContact O-CG2 3.31Å; P578-V582 PolarHBondContact O-N 3.34Å; V582-I588 HydrophobicContact CB-CD1 4.35Å; V582-I588 HydrophobicContact CG1-CD1 4.36Å
583E68.2Low70.1Confident193 Ų19382 Ų8290%0.90242%0.42SS*.  trans-81.9146.7173.7-68.9-176.6174.600111S585E583-S585 PolarHBondContact O-N 3.22Å
584G58.1Low68.5Low75 Ų7582.4 Ų82.477%0.77342%0.423SS*.SBendtrans88.3-7.8168.500000116.8H586G584-H586 PolarHBondContact O-N 3.41Å; G584-H586 VanDerWaalsContact O-N 3.11Å
585S48.6Very low66.6Low63 Ų6382.3 Ų82.344%0.44143%0.429SS..  trans-82.190.7175.1-65.50000111.8E583 G587E583-S585 PolarHBondContact O-N 3.22Å; S585-G587 PolarHBondContact O-N 3.31Å
586H46.1Very low64.1Low203 Ų20386.1 Ų86.194%0.9445%0.447SS*.THydrogen-bonded Turntrans-64.18.8165.9-83.3-66.6000114.1G584G584-H586 PolarHBondContact O-N 3.41Å; G584-H586 VanDerWaalsContact O-N 3.11Å
587G45.8Very low61.6Low15 Ų1587.8 Ų87.816%0.15546%0.457CS..THydrogen-bonded Turntrans-134.92-168.100000117.5S585 H589S585-G587 PolarHBondContact O-N 3.31Å; G587-H589 PolarHBondContact O-CD2 3.01Å; G587-H589 PolarHBondContact O-N 2.89Å
588I47.3Very low58.8Low44 Ų4488.7 Ų88.723%0.22647%0.472CS..  trans-75.686.4173.7-58.4167.1000107.6P578 N579 V582 R590P578-I588 HydrophobicContact CB-CD1 3.77Å; P578-I588 HydrophobicContact CB-CG2 4.13Å; P578-I588 HydrophobicContact CG-CG2 4.25Å; N579-I588 WeakPolarHBondContact OD1-CB 3.28Å; N579-I588 VanDerWaalsContact OD1-CG2 3.32Å; N579-I588 WeakPolarHBondContact OD1-CG2 3.37Å; V582-I588 HydrophobicContact CB-CD1 4.35Å; V582-I588 HydrophobicContact CG1-CD1 4.36Å; I588-R590 PolarHBondContact O-N 3.15Å
589H50.7Low55.9Low132 Ų13293.7 Ų93.761%0.61151%0.507SS*.  trans-53.8131.3166.9-75.2-85.7000108.5P192 G587 K591P192-H589 WeakPolarHBondContact CB-NE2 3.46Å; G587-H589 PolarHBondContact O-CD2 3.01Å; G587-H589 PolarHBondContact O-N 2.89Å; H589-K591 PolarHBondContact O-N 3.31Å
590R49.9Very low53.2Low206 Ų20695.5 Ų95.578%0.77752%0.521SS*.  trans-56.2107.8166.6-82.8-174.3176.3174.3-1.4107.9I588 H592I588-R590 PolarHBondContact O-N 3.15Å; R590-H592 PolarHBondContact O-N 2.89Å
591K59Low50.3Low68 Ų6899.9 Ų99.930%0.29654%0.536SS..  trans-77.9122.5173.8-65.8-172.6-177.1-175.50106.9N228 E562 C565 H589N228-K591 PolarHBondContact OD1-NZ 3.4Å; E562-K591 WeakPolarHBondContact CA-O 3.39Å; C565-K591 HydrophobicContact CB-CB 3.81Å; C565-K591 HydrophobicContact CB-CD 4.48Å; H589-K591 PolarHBondContact O-N 3.31Å
592H59Low47.4Very low96 Ų96101.1 Ų101.144%0.44456%0.56SS.*  trans-107.6149.2171.4-156.1-77.9000109D561 R590D561-H592 IonicContact OD2-CE1 2.75Å; D561-H592 PolarHBondContact OD2-CE1 2.86Å; D561-H592 IonicContact OD2-NE2 3.68Å; R590-H592 PolarHBondContact O-N 2.89Å
593L67.3Low44.8Very low5 Ų5102.1 Ų102.13%0.02658%0.582CS.*PPolyproline II helixtrans-58.1141.3167.1-76.9177.2000109.7K265 E268 D561 I564 I595K265-L593 HydrophobicContact CB-CD2 4.21Å; K265-L593 HydrophobicContact CG-CD2 4.05Å; E268-L593 HydrophobicContact CG-CB 4.19Å; E268-L593 HydrophobicContact CG-CD1 4Å; E268-L593 HydrophobicContact CG-CD2 4.17Å; E268-L593 HydrophobicContact CG-CG 4.36Å; D561-L593 HydrophobicContact CB-CB 4.22Å; D561-L593 HydrophobicContact CB-CD1 3.92Å; D561-L593 HydrophobicContact CB-CG 4.03Å; D561-L593 WeakPolarHBondContact OD1-CD1 3.48Å; I564-L593 HydrophobicContact CB-CD1 4.35Å; I564-L593 HydrophobicContact CG2-CD1 4.25Å; I564-L593 HydrophobicContact CG2-CD2 3.95Å; L593-I595 PolarHBondContact O-N 3.23Å
594P60.4Low42.6Very low23 Ų23100.2 Ų100.215%0.14958%0.579CS.*PPolyproline II helixtrans-55.9133.2175.7-22.132.1000110.9K265 L269K265-P594 HydrophobicContact CG-CG 4.06Å; L269-P594 HydrophobicContact CD1-CB 4.5Å; L269-P594 HydrophobicContact CD1-CG 4.33Å; L269-P594 HydrophobicContact CD2-CB 3.45Å; L269-P594 VanDerWaalsContact CD2-CB 3.45Å; L269-P594 HydrophobicContact CD2-CG 4.16Å; L269-P594 HydrophobicContact CG-CB 4.01Å; L269-P594 HydrophobicContact CG-CG 4.22Å
595I54.4Low40.9Very low119 Ų119101.8 Ų101.861%0.6158%0.578SS**PPolyproline II helixtrans-86.4130.5174-56.9173.2000107.4L593 H597L593-I595 PolarHBondContact O-N 3.23Å; I595-H597 VanDerWaalsContact C-N 3.33Å; I595-H597 PolarHBondContact O-N 2.9Å
596H41.5Very low39.8Very low114 Ų114104.8 Ų104.853%0.52860%0.595SS.*  trans-64.792.2172.4-173-66.9000109.5G598H596-G598 VanDerWaalsContact C-N 3.33Å; H596-G598 PolarHBondContact O-N 3.37Å
597H38.8Very low38.8Very low154 Ų154102.1 Ų102.171%0.71359%0.593SS**  trans-6992.6171.1-81.7-72.6000109I595 S599I595-H597 VanDerWaalsContact C-N 3.33Å; I595-H597 PolarHBondContact O-N 2.9Å; H597-S599 PolarHBondContact O-N 3.18Å
598G28.9Very low37.7Very low52 Ų52104.5 Ų104.554%0.53662%0.618SS.*  trans-54.4124.4146.600000107.1H596 T600H596-G598 VanDerWaalsContact C-N 3.33Å; H596-G598 PolarHBondContact O-N 3.37Å; G598-T600 PolarHBondContact O-N 3.12Å; G598-T600 VanDerWaalsContact O-N 3.08Å
599S23.8Very low36.5Very low116 Ų116109.3 Ų109.381%0.81165%0.65SS**SBendtrans-43.6110.9-168.663.60000114H597H597-S599 PolarHBondContact O-N 3.18Å
600T24.5Very low35.1Very low122 Ų122109.7 Ų109.775%0.74866%0.662SS**  trans-159.2135153.9-27.20000111.2G598G598-T600 PolarHBondContact O-N 3.12Å; G598-T600 VanDerWaalsContact O-N 3.08Å
601D23.9Very low33.8Very low159 Ų159106.8 Ų106.885%0.8567%0.667SS**  trans-10.1137.4-178.6-81.7-38.6000122.9
602A21.4Very low32.3Very low105 Ų105108.4 Ų108.487%0.86869%0.693SS**  trans-66.8123.3166.300000111.9
603G23Very low30.6Very low80 Ų80110.2 Ų110.283%0.82571%0.711SS**  trans-120.8103.6171.300000110.3
604D21.6Very low28.5Very low154 Ų154118 Ų11882%0.82475%0.752SS**  trans-73.6138.9179.9-161.37.6000111.5
605S23Very low27Very low108 Ų108124.5 Ų124.576%0.75579%0.785SS**  trans-162.1115.1166.7-780000111.6
606P25Very low25.6Very low125 Ų125128.3 Ų128.381%0.81280%0.8SS**PPolyproline II helixtrans-88.1133.6-177.127.8-22.2000112.5
607V25.5Very low24.8Very low147 Ų147131.7 Ų131.789%0.89182%0.816SS**PPolyproline II helixtrans-91.9129.5179.7178.50000110.4
608G22.9Very low24.3Very low66 Ų66129.9 Ų129.968%0.6882%0.818SS**PPolyproline II helixtrans-69.3146.9-172.300000115.4
609T21.1Very low24.2Very low145 Ų145136.9 Ų136.989%0.8984%0.837SS**PPolyproline II helixtrans-72128.3175.135.20000111.9
610T22.8Very low24.3Very low140 Ų140137.6 Ų137.686%0.85984%0.836SS**  trans-113127.3166.2420000110.2
611T22.1Very low24.4Very low145 Ų145139.1 Ų139.189%0.8984%0.838SS**  trans-78.1112.7179.137.50000110.2
612A26.3Very low24.6Very low102 Ų102135.5 Ų135.584%0.84382%0.823SS**  trans-98.2128.5172.100000110.5
613T24.3Very low24.9Very low133 Ų133135.6 Ų135.682%0.81682%0.818SS**  trans-80.3139.9-17737.70000112.6L615T613-L615 PolarHBondContact O-N 2.83Å
614N23.7Very low25.4Very low168 Ų168140.9 Ų140.990%0.89882%0.821SS**  trans-45.7118.4175.6-74.5-26.4000113.4
615L27.6Very low25.7Very low160 Ų160136.4 Ų136.484%0.83881%0.811SS**  trans-120.1121.6160-76170.2000108.3T613 Q617T613-L615 PolarHBondContact O-N 2.83Å; L615-Q617 PolarHBondContact O-N 3.38Å
616E25.9Very low26Very low200 Ų200137.8 Ų137.894%0.93581%0.81SS**  trans-59.7115.6-178.9-66172.9138.800110.7
617Q25.6Very low26.4Very low185 Ų185135.9 Ų135.986%0.86479%0.793SS**  trans-85.7136.3175.9-81.1-178.9-9.300111.6L615L615-Q617 PolarHBondContact O-N 3.38Å
618P27.9Very low26.5Very low115 Ų115135.1 Ų135.175%0.74778%0.783SS**  trans-71.1142.4176.6-12.227.1000112.6V620P618-V620 PolarHBondContact O-N 3.01Å; P618-V620 VanDerWaalsContact O-N 3.07Å
619Q26.7Very low26.8Very low199 Ų199134.3 Ų134.393%0.9378%0.775SS**  trans-60.3103.2176.9-71.5175.7-27.700112.1
620V26.4Very low27.6Very low132 Ų132130.2 Ų130.280%0.875%0.747SS**PPolyproline II helixtrans-86.1124.2170.5-1790000109.5P618P618-V620 PolarHBondContact O-N 3.01Å; P618-V620 VanDerWaalsContact O-N 3.07Å
621I25.5Very low28Very low154 Ų154126.9 Ų126.979%0.7972%0.724SS**PPolyproline II helixtrans-78.1119.8174.8-61171.6000107.9
622P27.8Very low28.3Very low83 Ų83127 Ų12754%0.53972%0.718SS.*PPolyproline II helixtrans-68.5138.6-180-12.225.8000111.4
623S28Very low28.6Very low107 Ų107127 Ų12775%0.74870%0.704SS**PPolyproline II helixtrans-64.8141.6172.545.90000111.2G625S623-G625 PolarHBondContact O-N 3.43Å
624Q34.1Very low29.1Very low190 Ų190124.1 Ų124.189%0.88868%0.683SS**THydrogen-bonded Turntrans-63.75.2-172.9-74.5-179.5-26.700116.1
625G27.5Very low29.5Very low61 Ų61120.7 Ų120.763%0.62967%0.665SS**THydrogen-bonded Turntrans-75.3-26.7-173.400000115.2S623 L627S623-G625 PolarHBondContact O-N 3.43Å; G625-L627 PolarHBondContact O-N 3.49Å
626D30Very low29.6Very low136 Ų136120 Ų12073%0.72766%0.661SS**Hα-helixtrans-77.9-21-170.5-105.2-2.9000114.6
627L32.4Very low29.6Very low85 Ų85112.7 Ų112.745%0.44564%0.64SS.*Hα-helixtrans-79.6-25.3-171.1-14182.3000113.3G625G625-L627 PolarHBondContact O-N 3.49Å
628L28.4Very low29.8Very low132 Ų132109.7 Ų109.769%0.69164%0.636SS**Hα-helixtrans-86.6-32.9-174.3-162.166.6000112.6D630 L631L628-D630 PolarHBondContact O-N 3.04Å; L628-L631 PolarHBondContact O-N 3.32Å
629G29.7Very low29.7Very low49 Ų49110.2 Ų110.251%0.50564%0.64SS.*Hα-helixtrans-59-32.4172.600000112.3L631 L632G629-L631 PolarHBondContact O-N 3.08Å; G629-L632 PolarHBondContact O-N 2.81Å
630D37.8Very low29.5Very low59 Ų59107.4 Ų107.432%0.31664%0.636SS.*G310 helixtrans-69.5-29.6-177.2-106.33.6000113.7R108 K147 L628 L632R108-D630 PolarHBondContact NH2-O 2.96Å; K147-D630 IonicContact NZ-OD2 3.5Å; K147-D630 PolarHBondContact NZ-OD2 3.43Å; L628-D630 PolarHBondContact O-N 3.04Å; D630-L632 VanDerWaalsContact C-N 3.26Å; D630-L632 PolarHBondContact O-N 3.38Å
631L29.8Very low29.4Very low70 Ų70108.7 Ų108.737%0.36664%0.638SS.*G310 helixtrans-73-16.2-179.3-86.1166.2000113.8L71 L628 G629 N633L71-L631 HydrophobicContact CD1-CD1 4.14Å; L628-L631 PolarHBondContact O-N 3.32Å; G629-L631 PolarHBondContact O-N 3.08Å; L631-N633 VanDerWaalsContact C-N 3.26Å; L631-N633 PolarHBondContact O-N 2.89Å
632L28.7Very low29.3Very low147 Ų147107.2 Ų107.277%0.7764%0.636SS**G310 helixtrans-73.9-11.1-178.7-70.4171000114.1G629 D630 L634G629-L632 PolarHBondContact O-N 2.81Å; D630-L632 VanDerWaalsContact C-N 3.26Å; D630-L632 PolarHBondContact O-N 3.38Å; L632-L634 PolarHBondContact O-N 3.48Å
633N33.4Very low29.1Very low101 Ų101108.9 Ų108.954%0.5465%0.647SS.*G310 helixtrans-77.218.7176.4-80.4-22.1000114.9L631 D635L631-N633 VanDerWaalsContact C-N 3.26Å; L631-N633 PolarHBondContact O-N 2.89Å; N633-D635 PolarHBondContact O-N 2.92Å; N633-D635 VanDerWaalsContact O-N 3.16Å
634L34.2Very low28.8Very low73 Ų73113.1 Ų113.138%0.38266%0.655SS.*  trans-85.363.5170.2-79.4165.8000110.5L632 L636L632-L634 PolarHBondContact O-N 3.48Å; L634-L636 PolarHBondContact O-N 3.14Å
635D31.5Very low28.3Very low96 Ų96110.8 Ų110.851%0.51365%0.653SS.*  trans-81.7103.6174.5-160.711.1000109.8N633 G637N633-D635 PolarHBondContact O-N 2.92Å; N633-D635 VanDerWaalsContact O-N 3.16Å; D635-G637 PolarHBondContact O-N 3.06Å
636L29.3Very low27.9Very low146 Ų146113.2 Ų113.276%0.76466%0.661SS**  trans-85.284.1168.8-71.3170000107.3L634L634-L636 PolarHBondContact O-N 3.14Å
637G26.1Very low27.7Very low47 Ų47112.6 Ų112.649%0.48567%0.667SS.*PPolyproline II helixtrans-56.2141.4172.600000111.3D635D635-G637 PolarHBondContact O-N 3.06Å
638P30.8Very low27.1Very low121 Ų121117.2 Ų117.279%0.78669%0.689SS**PPolyproline II helixtrans-67.3153.6174.926.7-31.7000111.4
639P24.7Very low26.8Very low127 Ų127120.4 Ų120.483%0.82570%0.7SS**PPolyproline II helixtrans-63139.6-173.322.9-32000113.1N641P639-N641 PolarHBondContact O-N 3.06Å
640V23.9Very low26.4Very low140 Ų140127.5 Ų127.585%0.84872%0.722SS**PPolyproline II helixtrans-46.8121.8-179.2-173.60000111.8
641N23Very low25.7Very low159 Ų159127.6 Ų127.685%0.8574%0.737SS**PPolyproline II helixtrans-92127.9174.3-146.79.2000110P639P639-N641 PolarHBondContact O-N 3.06Å
642V23.8Very low25.4Very low123 Ų123129.6 Ų129.675%0.74576%0.764SS**PPolyproline II helixtrans-82.5147.2-177.3178.70000109.2
643P23.5Very low25.3Very low117 Ų117129 Ų12976%0.7677%0.766SS**PPolyproline II helixtrans-78.8150.1-146.228-33.1000116.3
644Q21.8Very low24.8Very low197 Ų197131.4 Ų131.492%0.92178%0.779SS**PPolyproline II helixtrans-61.8137.5177.2-71.8175.5-63.200113.2
645V23.7Very low24.2Very low141 Ų141135.7 Ų135.786%0.85580%0.801SS**PPolyproline II helixtrans-101.1130.1160.6-174.40000108.5
646S20.2Very low23.7Very low112 Ų112139.1 Ų139.178%0.78382%0.819SS**PPolyproline II helixtrans-49137.6-177.8-44.20000115.7
647S24Very low23.4Very low123 Ų123135.9 Ų135.986%0.8682%0.821SS**  trans-173.5143.4131.343.70000111.7
648M20Very low23.2Very low182 Ų182138 Ų13890%0.89784%0.842SS**  trans-62.9141.9-176.7-60.9170119.800113.3
649Q23.4Very low22.9Very low198 Ų198135.7 Ų135.793%0.92584%0.84SS**  172.7135.2119.5-97174.1-26.300111.1
650M20.5Very low22.8Very low199 Ų199138 Ų13898%0.9885%0.845SS**  trans-64.8131.6174.2-82.2-138.6-76.700111.9
651G23.8Very low22.8Very low61 Ų61138.7 Ų138.763%0.62984%0.844SS**  trans-176.6118.2165.900000110.2V653G651-V653 PolarHBondContact O-N 2.84Å
652A22.7Very low22.8Very low112 Ų112136.8 Ų136.893%0.92684%0.843SS**  trans-59.6119.1178.800000110.7
653V26.2Very low22.7Very low134 Ų134138.9 Ų138.981%0.81285%0.849SS**  trans-127.2122173.7-177.30000109.5G651G651-V653 PolarHBondContact O-N 2.84Å
654D24.6Very low22.8Very low152 Ų152140 Ų14081%0.81385%0.853SS**  trans-52.5129.2177.6-169.58.1000112.8
655L21.6Very low22.7Very low163 Ų163133.9 Ų133.985%0.85384%0.844SS**SBendtrans-107.841.6-163.7-170.569.2000111.7
656L20.9Very low22.9Very low168 Ų168136.6 Ų136.688%0.8885%0.847SS**  trans-152.679.8171.3-72.2-179.4000111.4
657G22Very low23Very low78 Ų78136.6 Ų136.680%0.80485%0.847SS**  trans-151.7104175.500000112.2
658G22.7Very low22.9Very low91 Ų91140.5 Ų140.594%0.93885%0.849SS**  trans-65142179.200000113.2
659G24Very low23.2Very low72 Ų72139.6 Ų139.674%0.74285%0.846SS**  trans-15088.9175.500000110.6
660L22.2Very low23.1Very low175 Ų175135.1 Ų135.192%0.91683%0.834SS**  trans-134.917.5164.2-126.6152.9000112
661D23.6Very low23.3Very low156 Ų156131 Ų13183%0.83483%0.825SS**  trans-123.758.1179.3-132.23.9000110.7
662S24.2Very low23.3Very low118 Ų118132.7 Ų132.783%0.82583%0.827SS**  trans-121.261.9170.3-74.70000109.3
663L20.4Very low23.3Very low168 Ų168133.9 Ų133.988%0.8882%0.822SS**  trans-156.837.7168-102.9-178.3000113.9
664V25.6Very low23.4Very low139 Ų139132.6 Ų132.684%0.84282%0.817SS**SBendtrans-140.3110.4158.9-174.60000109
665G21.1Very low23.2Very low70 Ų70129 Ų12972%0.72281%0.809SS**  trans-69.6160.4-165.500000115.7
666Q26.5Very low23.3Very low197 Ų197126.8 Ų126.892%0.92180%0.802SS**  trans-148.9113.7149.5-106.5172.925.600110.4
667S24.1Very low23.5Very low113 Ų113128.2 Ų128.279%0.7980%0.801SS**  trans3.7124151.7-46.70000119.9
668F20.1Very low23.5Very low204 Ų204128.4 Ų128.490%0.89580%0.795SS**  trans-30.6125.7153-73.8-100.4000115.9
669I26.7Very low23.8Very low163 Ų163129.1 Ų129.184%0.83678%0.784SS**  trans-147.1123.8136.4-51.2-178.6000109
670P22Very low23.8Very low104 Ų104130.8 Ų130.868%0.67578%0.784SS**  trans-97.2146.9174.936.3-29.2000111.5
671S24.3Very low24.3Very low113 Ų113127.8 Ų127.879%0.7978%0.775SS**  trans167.2103.9152.4-76.90000108.3
672S23.2Very low24.3Very low97 Ų97127.2 Ų127.268%0.67878%0.777SS**  83.29577.373.20000114.9
673V23.6Very low24.5Very low136 Ų136127.2 Ų127.282%0.82477%0.774SS**  trans61.1168.8132.7-1280000119.2
674P28.1Very low24.7Very low107 Ų107123.3 Ų123.370%0.69577%0.766SS**  -129.9176.9-95.644.6-28.4000115.1
675A21.3Very low24.5Very low78 Ų78123.5 Ų123.565%0.64577%0.767SS**  trans73.6147.2137.200000121.1
676T22.2Very low24.8Very low115 Ų115127 Ų12771%0.70677%0.774SS**  trans86.9103.3151.975.90000117.1
677F26Very low24.6Very low198 Ų198122.3 Ų122.387%0.86876%0.763SS**  159.3117.8103.6-96.1-79.7000110
678A22.2Very low24.5Very low82 Ų82122.7 Ų122.768%0.67877%0.766SS**  trans-75-172.7152.200000108.7
679P29.1Very low24.6Very low107 Ų107116.1 Ų116.170%0.69576%0.756SS**  cis-141164.4-10.534.8-14.2000115.4
680S22.7Very low24.5Very low107 Ų107116 Ų11675%0.74876%0.756SS**  trans73.4172.9135.179.10000120.2
681P32.5Very low24.5Very low111 Ų111116.9 Ų116.972%0.72176%0.755SS**  -131.3170.1-99.232.1-9.8000113.7
682T24.2Very low24.5Very low145 Ų145119 Ų11989%0.8976%0.758SS**  trans-178.6156.414128.20000112.5
683P28.1Very low24.5Very low118 Ų118120.5 Ų120.577%0.76676%0.757SS**  trans-113154-163.739.1-26.4000114.3
684A24.1Very low24.5Very low85 Ų85124.1 Ų124.170%0.70276%0.762SS**  trans-169.5102.7154.300000108.3
685V22.2Very low24.2Very low143 Ų143127.3 Ų127.387%0.86777%0.768SS**  47.192.797-171.40000112.4
686V27.6Very low24.3Very low144 Ų144131.3 Ų131.387%0.87378%0.778SS**  trans-121.9116.9158.1-163.30000107.4
687S21.9Very low24.3Very low98 Ų98130.6 Ų130.669%0.68578%0.777SS**  trans-79.7144.5-17750.90000112.6
688S22.4Very low24.2Very low122 Ų122127.2 Ų127.285%0.85377%0.773SS**  trans63.5118.3135.9-159.10000119.8
689G22.4Very low24.2Very low66 Ų66127.2 Ų127.268%0.6878%0.781SS**  trans97.896.4132.300000114.3
690L24.3Very low24Very low159 Ų159129.4 Ų129.483%0.83279%0.786SS**  trans-174.1128.3135.6-95.5172.8000109.7
691N23.2Very low24Very low123 Ų123127.7 Ų127.766%0.65879%0.785SS**  trans78.871.1153.6-66.3-7.4000119.5L693N691-L693 HydrophobicContact CB-CB 4.27Å; N691-L693 PolarHBondContact O-N 3.16Å
692D24.1Very low23.7Very low158 Ų158130.8 Ų130.885%0.84579%0.792SS**  trans-55.670.4135.6-16113.4000111.7
693L22.1Very low24.1Very low129 Ų129127.9 Ų127.968%0.67578%0.783SS**  trans-14539.7-175.7-139132.3000114.1N691N691-L693 HydrophobicContact CB-CB 4.27Å; N691-L693 PolarHBondContact O-N 3.16Å
694F24.2Very low24.8Very low212 Ų212126.7 Ų126.793%0.9378%0.775SS**  trans-146.752.2162.6-90.2-77.5000111.2
695E22.6Very low26.5Very low173 Ų173125.8 Ų125.881%0.80877%0.774SS**  trans-96.1100.2147.1-84.1-169164.600107
696L22.2Very low29Very low162 Ų162120.2 Ų120.285%0.84875%0.745SS**  trans-176.6128.5152-99.7162.6000109.9
697S21.8Very low31.8Very low100 Ų100115.6 Ų115.670%0.69971%0.712SS**  trans72.698.716174.80000117.1
698T25.3Very low35Very low127 Ų127114.3 Ų114.378%0.77970%0.7SS**  165.9109.499.137.30000108I700T698-I700 PolarHBondContact O-N 3.13Å
699G21.3Very low38.1Very low83 Ų83109.4 Ų109.486%0.85667%0.667SS**  trans-61.198.5169.100000109.6G701G699-G701 VanDerWaalsContact C-N 3.32Å; G699-G701 PolarHBondContact O-N 3.44Å
700I25.7Very low41.3Very low152 Ų152111.2 Ų111.278%0.77967%0.667SS**  trans-75.6100149.7-61.9176.8000103.9T698 M702T698-I700 PolarHBondContact O-N 3.13Å; I700-M702 PolarHBondContact O-N 2.78Å
701G22Very low44.5Very low72 Ų72108.8 Ų108.874%0.74265%0.65SS**  trans-55.299.2-176.500000111G699 A703G699-G701 VanDerWaalsContact C-N 3.32Å; G699-G701 PolarHBondContact O-N 3.44Å; G701-A703 PolarHBondContact O-N 3.36Å
702M25.7Very low47.9Very low176 Ų176105.3 Ų105.387%0.86764%0.638SS**  trans-62118.9154.9-72.8-96.285.900105.4I700I700-M702 PolarHBondContact O-N 2.78Å
703A33.8Very low51.4Low83 Ų83101.8 Ų101.869%0.68662%0.622SS**  trans-47.2140174.800000109.5G701 G705G701-A703 PolarHBondContact O-N 3.36Å; A703-G705 PolarHBondContact O-N 2.92Å
704P42.6Very low55Low94 Ų9497.3 Ų97.361%0.6160%0.596SS**  trans-58.5107-178.823.1-31000108.4
705G59.2Low58.5Low66 Ų6687.5 Ų87.568%0.6855%0.554SS**PPolyproline II helixtrans-62.4140179.900000110A703A703-G705 PolarHBondContact O-N 2.92Å
706G74.3Confident62Low25 Ų2581.5 Ų81.526%0.25853%0.529SS..PPolyproline II helixtrans-59.2170.8167.400000111.6V708 N870 N871G706-V708 PolarHBondContact O-N 2.71Å; G706-N870 WeakPolarHBondContact CA-O 3.49Å; G706-N871 WeakPolarHBondContact CA-OD1 3.4Å
707Y86Confident65.4Low47 Ų4774.4 Ų74.418%0.18449%0.494CS..PPolyproline II helixtrans-60.2128.2175.4169.9-107.7000110.1A709 N823 N871 I934 N937Y707-A709 HydrophobicContact CE1-CB 4.38Å; Y707-N823 PolarHBondContact O-ND2 3.34Å; Y707-N871 PolarHBondContact N-ND2 2.89Å; Y707-N871 PolarHBondContact N-OD1 3.23Å; Y707-I934 HydrophobicContact CD1-CG1 4.23Å; Y707-I934 HydrophobicContact CG-CG1 4.2Å; Y707-N937 HydrophobicContact CD2-CB 3.96Å; Y707-N937 HydrophobicContact CE2-CB 3.97Å; Y707-N937 WeakPolarHBondContact CE2-ND2 3.13Å
708V89.8Confident68.7Low72 Ų7276.2 Ų76.244%0.43650%0.501SS..  trans-113.9123.2174175.70000107.6G706 T728 T730G706-V708 PolarHBondContact O-N 2.71Å; V708-T728 HydrophobicContact CG1-CG2 4.08Å; V708-T730 HydrophobicContact CB-CG2 4.43Å; V708-T730 HydrophobicContact CG1-CG2 3.62Å; V708-T730 HydrophobicContact CG2-CG2 3.9Å
709A88.7Confident71.9Confident19 Ų1978.1 Ų78.116%0.15750%0.498CS..PPolyproline II helixtrans-62.7144.9175.100000110.4Y707 T728 P821Y707-A709 HydrophobicContact CE1-CB 4.38Å; A709-T728 WeakPolarHBondContact O-CB 3.33Å; A709-T728 PolarHBondContact O-OG1 3.04Å; A709-P821 HydrophobicContact CB-CG 3.9Å
710P88.6Confident75.3Confident104 Ų10474.2 Ų74.268%0.67546%0.458SS*.PPolyproline II helixtrans-61.4148.8176.225.6-33.5000111.2A712P710-A712 PolarHBondContact O-N 3Å
711K92.5Very high78.5Confident107 Ų10772.9 Ų72.947%0.46545%0.446SS..PPolyproline II helixtrans-60.3131.9174.8-74.2-173177.6-175.80109.8G727 T728 D783K711-G727 WeakPolarHBondContact CA-O 3.44Å; K711-T728 HydrophobicContact CG-CG2 3.91Å; K711-D783 IonicContact NZ-OD1 2.72Å; K711-D783 PolarHBondContact NZ-OD1 3.23Å; K711-D783 VanDerWaalsContact NZ-OD1 3.09Å
712A94.6Very high81.9Confident50 Ų5070 Ų7041%0.41342%0.417SS..EExtended strand (participates in β ladder)trans-118152.1175.200000110.4P710 W714 S726 G727P710-A712 PolarHBondContact O-N 3Å; A712-W714 PolarHBondContact O-N 3.43Å; A712-S726 CarbonylContact O-C 3.58Å; A712-S726 WeakPolarHBondContact O-CA 3.18Å; A712-S726 WeakPolarHBondContact O-CB 3.06Å; A712-G727 PolarHBondContact N-O 3.23Å; A712-G727 PolarHBondContact O-N 3.34Å
713V96.9Very high85.3Confident84 Ų8461.7 Ų61.751%0.50938%0.376SS..EExtended strand (participates in β ladder)trans-78113.3173-178.30000108.5P716 E724V713-P716 HydrophobicContact CG1-CB 4.49Å; V713-P716 HydrophobicContact CG1-CG 4.18Å; V713-E724 HydrophobicContact CG1-CG 4.3Å
714W97.9Very high88.4Confident35 Ų3559.7 Ų59.713%0.13335%0.352CS..EExtended strand (participates in β ladder)trans-91.9-36.6178.6-61.4-33.2000112.1A712 I725 G727 T728 F729 M738 M740 F816 C818A712-W714 PolarHBondContact O-N 3.43Å; W714-I725 HydrophobicContact CE3-CG2 4.38Å; W714-I725 PolarHBondContact N-O 3.32Å; W714-G727 VanDerWaalsContact CZ2-O 3.27Å; W714-G727 WeakPolarHBondContact CZ2-O 3.38Å; W714-T728 VanDerWaalsContact CH2-N 3.33Å; W714-F729 HydrophobicContact CH2-CD2 4.33Å; W714-F729 AromaticContact CH2-CE2 3.81Å; W714-F729 HydrophobicContact CH2-CE2 3.81Å; W714-F729 HydrophobicContact CH2-CZ 4.06Å; W714-F729 HydrophobicContact CZ2-CD2 4.08Å; W714-F729 AromaticContact CZ2-CE2 3.55Å; W714-F729 HydrophobicContact CZ2-CE2 3.55Å; W714-F729 HydrophobicContact CZ2-CZ 4.2Å; W714-M738 HydrophobicContact CE3-CE 3.76Å; W714-M738 HydrophobicContact CH2-CE 3.7Å; W714-M738 HydrophobicContact CH2-CG 3.99Å; W714-M738 HydrophobicContact CZ3-CE 3.14Å; W714-M738 HydrophobicContact CZ3-CG 4.02Å; W714-M738 HydrophobicContact CZ3-SD 4.39Å; W714-M740 HydrophobicContact CZ3-CG 3.76Å; W714-M740 HydrophobicContact CZ3-SD 4.47Å; W714-F816 HydrophobicContact CB-CD2 3.54Å; W714-F816 HydrophobicContact CB-CE2 3.66Å; W714-F816 HydrophobicContact CB-CG 4.34Å; W714-F816 HydrophobicContact CD2-CE2 4.18Å; W714-F816 AromaticContact CE3-CE2 3.83Å; W714-F816 HydrophobicContact CE3-CE2 3.83Å; W714-F816 HydrophobicContact CE3-CZ 4.31Å; W714-F816 HydrophobicContact CG-CD2 4.35Å; W714-F816 HydrophobicContact CG-CE2 4.18Å; W714-C818 HydrophobicContact CB-CB 4.49Å; W714-C818 HydrophobicContact CD2-CB 3.76Å; W714-C818 HydrophobicContact CG-CB 3.74Å; W714-C818 HydrophobicContact CZ2-CB 4.23Å
715L97.2Very high91.1Very high7 Ų755.2 Ų55.24%0.03732%0.323CS..EExtended strand (participates in β ladder)trans-127.9102.5177.7-174.362.8000110K719 A720 E724 I725 F814 F816L715-K719 HydrophobicContact CD1-CB 4.36Å; L715-A720 HydrophobicContact CD1-CB 3.93Å; L715-A720 HydrophobicContact CD2-CB 3.54Å; L715-A720 HydrophobicContact CG-CB 3.69Å; L715-E724 CarbonylContact O-C 3.42Å; L715-E724 VanDerWaalsContact O-CA 3.3Å; L715-E724 WeakPolarHBondContact O-CA 3.3Å; L715-I725 HydrophobicContact CB-CB 3.98Å; L715-I725 HydrophobicContact CB-CD1 4.43Å; L715-I725 HydrophobicContact CB-CG1 4.25Å; L715-I725 HydrophobicContact CD2-CD1 3.83Å; L715-I725 HydrophobicContact CD2-CG1 4.18Å; L715-I725 PolarHBondContact N-O 3.18Å; L715-I725 PolarHBondContact O-N 3.27Å; L715-F814 HydrophobicContact CD2-CB 3.77Å; L715-F814 HydrophobicContact CD2-CG 4.41Å; L715-F816 HydrophobicContact CB-CB 4.33Å; L715-F816 HydrophobicContact CB-CD1 4.04Å; L715-F816 HydrophobicContact CB-CG 4.25Å; L715-F816 HydrophobicContact CD1-CB 4.26Å; L715-F816 HydrophobicContact CD2-CD1 4.14Å
716P96.4Very high92.9Very high46 Ų4653.1 Ų53.130%0.29930%0.298SS..  trans-68.7141.2175-20.132.7000112.1V713 V718 K719V713-P716 HydrophobicContact CG1-CB 4.49Å; V713-P716 HydrophobicContact CG1-CG 4.18Å; P716-V718 HydrophobicContact CB-CG2 3.99Å; P716-V718 PolarHBondContact O-N 3.19Å; P716-K719 PolarHBondContact O-N 2.87Å
717A93.7Very high94Very high14 Ų1452 Ų5212%0.11629%0.286CS..G310 helixtrans-50-38.2-178.900000114.7K719 A720 K721 G722 L723 E724 K745A717-K719 PolarHBondContact O-N 3.36Å; A717-A720 PolarHBondContact O-N 3.33Å; A717-A720 VanDerWaalsContact O-N 3.15Å; A717-K721 PolarHBondContact O-N 3.47Å; A717-G722 PolarHBondContact O-N 3.35Å; A717-L723 WeakPolarHBondContact CA-O 3.33Å; A717-E724 HydrophobicContact CB-CB 4.11Å; A717-K745 HydrophobicContact CB-CB 4.29Å; A717-K745 HydrophobicContact CB-CD 3.93Å; A717-K745 HydrophobicContact CB-CG 4.41Å
718V91.1Very high94.5Very high138 Ų13850.2 Ų50.284%0.83628%0.281SS*.G310 helixtrans-61.5-26180-74.90000113.5P716P716-V718 HydrophobicContact CB-CG2 3.99Å; P716-V718 PolarHBondContact O-N 3.19Å
719K91.3Very high94.8Very high167 Ų16747 Ų4773%0.72626%0.26SS*.G310 helixtrans-91.8-8.9179.1-67.2-170.7177.4-1760113.6L715 P716 A717L715-K719 HydrophobicContact CD1-CB 4.36Å; P716-K719 PolarHBondContact O-N 2.87Å; A717-K719 PolarHBondContact O-N 3.36Å
720A93.6Very high95.1Very high0 Ų046.3 Ų46.30%025%0.254CS..THydrogen-bonded Turntrans-136.240.7-170.300000113.1L715 A717 G722 L723 F814L715-A720 HydrophobicContact CD1-CB 3.93Å; L715-A720 HydrophobicContact CD2-CB 3.54Å; L715-A720 HydrophobicContact CG-CB 3.69Å; A717-A720 PolarHBondContact O-N 3.33Å; A717-A720 VanDerWaalsContact O-N 3.15Å; A720-G722 PolarHBondContact O-N 2.8Å; A720-L723 HydrophobicContact CB-CB 4.2Å; A720-L723 WeakPolarHBondContact CB-O 3.17Å; A720-L723 WeakPolarHBondContact O-CB 3.38Å; A720-L723 PolarHBondContact O-N 3.33Å; A720-F814 VanDerWaalsContact C-CE1 3.45Å; A720-F814 VanDerWaalsContact CA-CE1 3.44Å; A720-F814 HydrophobicContact CB-CB 4.26Å; A720-F814 HydrophobicContact CB-CD1 3.49Å; A720-F814 VanDerWaalsContact CB-CD1 3.49Å; A720-F814 HydrophobicContact CB-CD2 4.3Å; A720-F814 HydrophobicContact CB-CE1 3.83Å; A720-F814 HydrophobicContact CB-CG 3.74Å; A720-F814 HydrophobicContact CB-CZ 4.36Å; A720-F814 WeakPolarHBondContact O-CZ 3.06Å
721K92.8Very high95.1Very high125 Ų12543.9 Ų43.954%0.54323%0.234SC..THydrogen-bonded Turntrans50.435.9174.4-61.1175.9176.1170.80112.9A717 I811 D812 F814A717-K721 PolarHBondContact O-N 3.47Å; K721-I811 HydrophobicContact CB-CG2 4.36Å; K721-I811 HydrophobicContact CD-CG2 3.86Å; K721-D812 IonicContact NZ-OD2 3.9Å; K721-D812 PolarHBondContact NZ-OD2 2.95Å; K721-F814 HydrophobicContact CB-CE1 4.29Å; K721-F814 HydrophobicContact CB-CZ 4.19Å; K721-F814 HydrophobicContact CD-CE1 4.29Å; K721-F814 HydrophobicContact CD-CZ 4.39Å; K721-F814 HydrophobicContact CG-CE1 4.22Å; K721-F814 HydrophobicContact CG-CZ 4.48Å
722G93.7Very high94.7Very high12 Ų1244.8 Ų44.812%0.12424%0.235CC..THydrogen-bonded Turntrans98.6-8.9179.600000115.8A717 A720 K745A717-G722 PolarHBondContact O-N 3.35Å; A720-G722 PolarHBondContact O-N 2.8Å; G722-K745 WeakPolarHBondContact O-CA 3.31Å; G722-K745 WeakPolarHBondContact O-CB 3.33Å; G722-K745 PolarHBondContact O-N 3.18Å
723L97.6Very high93.9Very high0 Ų051.2 Ų51.20%026%0.256CS..EExtended strand (participates in β ladder)trans-80.2122.1173.4178.861.9000110.8A717 A720 I725 F742 M750 F753 V807 F814A717-L723 WeakPolarHBondContact CA-O 3.33Å; A720-L723 HydrophobicContact CB-CB 4.2Å; A720-L723 WeakPolarHBondContact CB-O 3.17Å; A720-L723 WeakPolarHBondContact O-CB 3.38Å; A720-L723 PolarHBondContact O-N 3.33Å; L723-I725 HydrophobicContact CD2-CD1 4.2Å; L723-I725 HydrophobicContact CD2-CG1 4.41Å; L723-I725 HydrophobicContact CG-CG1 4.19Å; L723-F742 HydrophobicContact CD1-CD1 4.24Å; L723-M750 HydrophobicContact CB-CE 3.85Å; L723-M750 HydrophobicContact CB-SD 3.91Å; L723-M750 HydrophobicContact CD1-SD 3.81Å; L723-M750 HydrophobicContact CG-SD 4.33Å; L723-F753 HydrophobicContact CD1-CE1 4.22Å; L723-F753 HydrophobicContact CD2-CE1 4.18Å; L723-V807 HydrophobicContact CD2-CG1 4.34Å; L723-F814 HydrophobicContact CD2-CD2 3.92Å; L723-F814 HydrophobicContact CD2-CE2 4.19Å
724E98.1Very high93.2Very high42 Ų4249.1 Ų49.120%0.19625%0.251CS..EExtended strand (participates in β ladder)trans-109.2134.1172.1-173.2166.495.300110.7V713 L715 A717 T743 K745V713-E724 HydrophobicContact CG1-CG 4.3Å; L715-E724 CarbonylContact O-C 3.42Å; L715-E724 VanDerWaalsContact O-CA 3.3Å; L715-E724 WeakPolarHBondContact O-CA 3.3Å; A717-E724 HydrophobicContact CB-CB 4.11Å; E724-T743 PolarHBondContact N-O 3.09Å; E724-T743 PolarHBondContact O-N 3.28Å; E724-K745 WeakPolarHBondContact OE1-CE 3.38Å; E724-K745 IonicContact OE1-NZ 3.5Å; E724-K745 PolarHBondContact OE1-NZ 2.96Å; E724-K745 IonicContact OE2-NZ 3.41Å; E724-K745 PolarHBondContact OE2-NZ 3.43Å
725I98.1Very high92.8Very high0 Ų052.9 Ų52.90%027%0.27CS..EExtended strand (participates in β ladder)trans-124.7120.9175.7-52.3176.2000108.7W714 L715 L723 M740 N741 F742 V807 F816W714-I725 HydrophobicContact CE3-CG2 4.38Å; W714-I725 PolarHBondContact N-O 3.32Å; L715-I725 HydrophobicContact CB-CB 3.98Å; L715-I725 HydrophobicContact CB-CD1 4.43Å; L715-I725 HydrophobicContact CB-CG1 4.25Å; L715-I725 HydrophobicContact CD2-CD1 3.83Å; L715-I725 HydrophobicContact CD2-CG1 4.18Å; L715-I725 PolarHBondContact N-O 3.18Å; L715-I725 PolarHBondContact O-N 3.27Å; L723-I725 HydrophobicContact CD2-CD1 4.2Å; L723-I725 HydrophobicContact CD2-CG1 4.41Å; L723-I725 HydrophobicContact CG-CG1 4.19Å; I725-M740 HydrophobicContact CG2-CG 4.47Å; I725-N741 WeakPolarHBondContact CA-O 2.99Å; I725-F742 HydrophobicContact CD1-CD1 3.93Å; I725-F742 HydrophobicContact CD1-CE1 3.55Å; I725-F742 HydrophobicContact CD1-CZ 4.34Å; I725-F742 HydrophobicContact CG1-CD1 3.84Å; I725-F742 HydrophobicContact CG1-CE1 3.95Å; I725-V807 HydrophobicContact CD1-CB 4.21Å; I725-V807 HydrophobicContact CD1-CG1 4.22Å; I725-V807 HydrophobicContact CD1-CG2 3.93Å; I725-F816 HydrophobicContact CD1-CE1 3.81Å; I725-F816 HydrophobicContact CD1-CZ 4.43Å; I725-F816 HydrophobicContact CG2-CZ 4.42Å
726S98Very high92.7Very high22 Ų2253.2 Ų53.215%0.15427%0.272CS..EExtended strand (participates in β ladder)trans-117.9150.7167.562.70000110.1A712 M740 N741A712-S726 CarbonylContact O-C 3.58Å; A712-S726 WeakPolarHBondContact O-CA 3.18Å; A712-S726 WeakPolarHBondContact O-CB 3.06Å; S726-M740 CarbonylContact O-C 3.27Å; S726-M740 WeakPolarHBondContact O-CA 3.37Å; S726-N741 PolarHBondContact N-O 2.86Å; S726-N741 VanDerWaalsContact N-O 3.08Å; S726-N741 PolarHBondContact O-N 3.48Å
727G97.1Very high92.7Very high1 Ų153.7 Ų53.71%0.0127%0.268CS..EExtended strand (participates in β ladder)trans-171176.9-179.600000115.6K711 A712 W714 E739K711-G727 WeakPolarHBondContact CA-O 3.44Å; A712-G727 PolarHBondContact N-O 3.23Å; A712-G727 PolarHBondContact O-N 3.34Å; W714-G727 VanDerWaalsContact CZ2-O 3.27Å; W714-G727 WeakPolarHBondContact CZ2-O 3.38Å; G727-E739 CarbonylContact C-O 3.6Å; G727-E739 WeakPolarHBondContact CA-O 3.38Å
728T96.9Very high92.9Very high10 Ų1053 Ų536%0.06126%0.262CS..EExtended strand (participates in β ladder)trans-148.4177.8174.5-169.50000110.1V708 A709 K711 W714 T730 E739V708-T728 HydrophobicContact CG1-CG2 4.08Å; A709-T728 WeakPolarHBondContact O-CB 3.33Å; A709-T728 PolarHBondContact O-OG1 3.04Å; K711-T728 HydrophobicContact CG-CG2 3.91Å; W714-T728 VanDerWaalsContact CH2-N 3.33Å; T728-T730 HydrophobicContact CG2-CG2 4.46Å; T728-E739 HydrophobicContact CG2-CB 3.97Å; T728-E739 PolarHBondContact N-O 2.93Å; T728-E739 PolarHBondContact O-N 3.45Å
729F96.6Very high93.1Very high3 Ų347.6 Ų47.61%0.01323%0.228CC..EExtended strand (participates in β ladder)trans-116.8139.8174.9-62.6-91.7000109.8W714 Y737 M738 L788 L803 I820 P821 V824W714-F729 HydrophobicContact CH2-CD2 4.33Å; W714-F729 AromaticContact CH2-CE2 3.81Å; W714-F729 HydrophobicContact CH2-CE2 3.81Å; W714-F729 HydrophobicContact CH2-CZ 4.06Å; W714-F729 HydrophobicContact CZ2-CD2 4.08Å; W714-F729 AromaticContact CZ2-CE2 3.55Å; W714-F729 HydrophobicContact CZ2-CE2 3.55Å; W714-F729 HydrophobicContact CZ2-CZ 4.2Å; F729-Y737 WeakPolarHBondContact CA-O 3.1Å; F729-M738 HydrophobicContact CD1-CB 4.24Å; F729-M738 HydrophobicContact CD1-CG 4.3Å; F729-M738 HydrophobicContact CE1-CB 4.06Å; F729-M738 HydrophobicContact CE1-CG 3.81Å; F729-M738 HydrophobicContact CE1-SD 4.2Å; F729-M738 HydrophobicContact CZ-CE 4.19Å; F729-M738 HydrophobicContact CZ-CG 4.25Å; F729-M738 HydrophobicContact CZ-SD 4.45Å; F729-L788 HydrophobicContact CD1-CD1 4.09Å; F729-L788 HydrophobicContact CE1-CD1 4.01Å; F729-L803 HydrophobicContact CE1-CD2 4.2Å; F729-L803 HydrophobicContact CZ-CD2 4.03Å; F729-I820 HydrophobicContact CE1-CG1 4.21Å; F729-I820 HydrophobicContact CE2-CG1 4.28Å; F729-I820 HydrophobicContact CZ-CG1 3.96Å; F729-P821 HydrophobicContact CD2-CG 4.45Å; F729-V824 HydrophobicContact CB-CG1 4Å; F729-V824 HydrophobicContact CB-CG2 4.15Å
730T93.8Very high93.4Very high5 Ų539.6 Ų39.63%0.03119%0.193CC..EExtended strand (participates in β ladder)trans-130.1150.9176.264.10000110.9V708 T728 Y737 E739V708-T730 HydrophobicContact CB-CG2 4.43Å; V708-T730 HydrophobicContact CG1-CG2 3.62Å; V708-T730 HydrophobicContact CG2-CG2 3.9Å; T728-T730 HydrophobicContact CG2-CG2 4.46Å; T730-Y737 PolarHBondContact N-O 3.31Å; T730-Y737 PolarHBondContact O-N 2.96Å; T730-E739 HydrophobicContact CG2-CG 3.82Å
731H89.6Confident93.6Very high54 Ų5440.9 Ų40.925%0.2520%0.2CC..EExtended strand (participates in β ladder)trans-118.2118.2172.3-178.8-111.9000108.4G734 H735 V824 N872H731-G734 VanDerWaalsContact NE2-CA 3.33Å; H731-G734 WeakPolarHBondContact NE2-CA 3.38Å; H731-H735 WeakPolarHBondContact CA-O 3.48Å; H731-H735 PolarHBondContact CD2-O 3.02Å; H731-V824 HydrophobicContact CB-CB 4.21Å; H731-V824 HydrophobicContact CB-CG1 4.27Å; H731-N872 PolarHBondContact CE1-ND2 2.89Å
732R83.2Confident93.9Very high126 Ų12635 Ų3548%0.47517%0.174SC..EExtended strand (participates in β ladder)trans-133.7120.2-176.9-61.5-179.1-175.3141.49109.1G734 H735 Y737 E739R732-G734 VanDerWaalsContact C-N 3.33Å; R732-G734 PolarHBondContact O-N 3.32Å; R732-H735 PolarHBondContact N-O 3.32Å; R732-H735 PolarHBondContact O-N 3.25Å; R732-Y737 HydrophobicContact CB-CD2 4.37Å; R732-Y737 HydrophobicContact CB-CE2 4.18Å; R732-E739 IonicContact CZ-OE1 3.55Å; R732-E739 IonicContact NH1-OE1 2.67Å; R732-E739 PolarHBondContact NH1-OE1 3.47Å; R732-E739 IonicContact NH2-OE1 4Å; R732-E739 PolarHBondContact NH2-OE1 3.01Å
733Q79Confident94.1Very high185 Ų18535.1 Ų35.186%0.86417%0.173SC*.THydrogen-bonded Turntrans51.646.7174.4-58.5178.7-800113.4H735Q733-H735 PolarHBondContact O-CD2 3.18Å; Q733-H735 PolarHBondContact O-N 3.24Å
734G81.7Confident94.1Very high40 Ų4035.1 Ų35.141%0.41217%0.173SC..THydrogen-bonded Turntrans77.5-0.5-179.600000115.4H731 R732H731-G734 VanDerWaalsContact NE2-CA 3.33Å; H731-G734 WeakPolarHBondContact NE2-CA 3.38Å; R732-G734 VanDerWaalsContact C-N 3.33Å; R732-G734 PolarHBondContact O-N 3.32Å
735H89.6Confident94Very high114 Ų11438.1 Ų38.153%0.52819%0.186SC..EExtended strand (participates in β ladder)trans-110.7140.1179.3-65.8-62.9000111.9H731 R732 Q733 Y737H731-H735 WeakPolarHBondContact CA-O 3.48Å; H731-H735 PolarHBondContact CD2-O 3.02Å; R732-H735 PolarHBondContact N-O 3.32Å; R732-H735 PolarHBondContact O-N 3.25Å; Q733-H735 PolarHBondContact O-CD2 3.18Å; Q733-H735 PolarHBondContact O-N 3.24Å; H735-Y737 HydrophobicContact CB-CD2 4.37Å; H735-Y737 HydrophobicContact CB-CE2 3.57Å
736I94.8Very high93.7Very high13 Ų1339.1 Ų39.17%0.06719%0.193CC..EExtended strand (participates in β ladder)trans-96.1134.4179.1-55.6164.1000108L788 T790 V824 L825 T894I736-L788 HydrophobicContact CB-CB 4.21Å; I736-L788 HydrophobicContact CG2-CB 4.16Å; I736-L788 HydrophobicContact CG2-CD1 4.02Å; I736-L788 HydrophobicContact CG2-CG 4.47Å; I736-L788 PolarHBondContact O-N 3.45Å; I736-T790 HydrophobicContact CD1-CG2 4.06Å; I736-V824 WeakPolarHBondContact CG1-O 3.4Å; I736-V824 HydrophobicContact CG2-CB 4.37Å; I736-V824 HydrophobicContact CG2-CG2 4.23Å; I736-L825 HydrophobicContact CD1-CD2 3.72Å; I736-T894 HydrophobicContact CD1-CG2 4.38Å
737Y96.2Very high93.3Very high56 Ų5646.3 Ų46.322%0.2223%0.229CC..EExtended strand (participates in β ladder)trans-127.7138.5177.7-65.6-91.1000110.9F729 T730 R732 H735 S785 L786 P787F729-Y737 WeakPolarHBondContact CA-O 3.1Å; T730-Y737 PolarHBondContact N-O 3.31Å; T730-Y737 PolarHBondContact O-N 2.96Å; R732-Y737 HydrophobicContact CB-CD2 4.37Å; R732-Y737 HydrophobicContact CB-CE2 4.18Å; H735-Y737 HydrophobicContact CB-CD2 4.37Å; H735-Y737 HydrophobicContact CB-CE2 3.57Å; Y737-S785 VanDerWaalsContact CD1-OG 3.27Å; Y737-S785 WeakPolarHBondContact CD1-OG 3.25Å; Y737-L786 WeakPolarHBondContact CA-O 3.38Å; Y737-P787 HydrophobicContact CD1-CB 4.03Å; Y737-P787 HydrophobicContact CE1-CB 3.76Å
738M97.4Very high93Very high0 Ų051.5 Ų51.50%025%0.253CS..EExtended strand (participates in β ladder)trans-95.7109.3165.2-171.9177.3-170.200108.2W714 F729 M740 F757 L786 L788 V805 F816W714-M738 HydrophobicContact CE3-CE 3.76Å; W714-M738 HydrophobicContact CH2-CE 3.7Å; W714-M738 HydrophobicContact CH2-CG 3.99Å; W714-M738 HydrophobicContact CZ3-CE 3.14Å; W714-M738 HydrophobicContact CZ3-CG 4.02Å; W714-M738 HydrophobicContact CZ3-SD 4.39Å; F729-M738 HydrophobicContact CD1-CB 4.24Å; F729-M738 HydrophobicContact CD1-CG 4.3Å; F729-M738 HydrophobicContact CE1-CB 4.06Å; F729-M738 HydrophobicContact CE1-CG 3.81Å; F729-M738 HydrophobicContact CE1-SD 4.2Å; F729-M738 HydrophobicContact CZ-CE 4.19Å; F729-M738 HydrophobicContact CZ-CG 4.25Å; F729-M738 HydrophobicContact CZ-SD 4.45Å; M738-M740 HydrophobicContact CB-CE 4.49Å; M738-M740 HydrophobicContact CE-CG 4.41Å; M738-M740 HydrophobicContact CE-SD 3.9Å; M738-M740 HydrophobicContact CG-CE 4.13Å; M738-M740 HydrophobicContact CG-CG 3.99Å; M738-M740 HydrophobicContact CG-SD 4.06Å; M738-M740 HydrophobicContact SD-CE 4.14Å; M738-M740 HydrophobicContact SD-SD 3.88Å; M738-F757 HydrophobicContact SD-CE1 3.9Å; M738-F757 HydrophobicContact SD-CE2 4.41Å; M738-F757 HydrophobicContact SD-CZ 3.42Å; M738-F757 WeakPolarHBondContact SD-CZ 3.46Å; M738-L786 HydrophobicContact CB-CB 4.32Å; M738-L786 PolarHBondContact N-O 2.96Å; M738-L786 PolarHBondContact O-N 3.03Å; M738-L788 HydrophobicContact CB-CD1 3.83Å; M738-L788 HydrophobicContact CB-CD2 4.14Å; M738-L788 HydrophobicContact CB-CG 4.15Å; M738-V805 HydrophobicContact CE-CG2 4.22Å; M738-F816 HydrophobicContact CE-CE2 4.37Å; M738-F816 HydrophobicContact CE-CZ 4.43Å
739E97.1Very high92.8Very high24 Ų2455.3 Ų55.311%0.11227%0.27CS..EExtended strand (participates in β ladder)trans-93.8112.9-177.8-65.8-73.5-16700108.8G727 T728 T730 R732 S785G727-E739 CarbonylContact C-O 3.6Å; G727-E739 WeakPolarHBondContact CA-O 3.38Å; T728-E739 HydrophobicContact CG2-CB 3.97Å; T728-E739 PolarHBondContact N-O 2.93Å; T728-E739 PolarHBondContact O-N 3.45Å; T730-E739 HydrophobicContact CG2-CG 3.82Å; R732-E739 IonicContact CZ-OE1 3.55Å; R732-E739 IonicContact NH1-OE1 2.67Å; R732-E739 PolarHBondContact NH1-OE1 3.47Å; R732-E739 IonicContact NH2-OE1 4Å; R732-E739 PolarHBondContact NH2-OE1 3.01Å; E739-S785 VanDerWaalsContact OE2-CB 3.29Å; E739-S785 WeakPolarHBondContact OE2-CB 3.39Å
740M97.5Very high92.8Very high0 Ų055.2 Ų55.20%027%0.27CS..EExtended strand (participates in β ladder)trans-122.1149.6-173.1-70.8175.1-72.200111.5W714 I725 S726 M738 F742 I755 L770 D783 V784 L786W714-M740 HydrophobicContact CZ3-CG 3.76Å; W714-M740 HydrophobicContact CZ3-SD 4.47Å; I725-M740 HydrophobicContact CG2-CG 4.47Å; S726-M740 CarbonylContact O-C 3.27Å; S726-M740 WeakPolarHBondContact O-CA 3.37Å; M738-M740 HydrophobicContact CB-CE 4.49Å; M738-M740 HydrophobicContact CE-CG 4.41Å; M738-M740 HydrophobicContact CE-SD 3.9Å; M738-M740 HydrophobicContact CG-CE 4.13Å; M738-M740 HydrophobicContact CG-CG 3.99Å; M738-M740 HydrophobicContact CG-SD 4.06Å; M738-M740 HydrophobicContact SD-CE 4.14Å; M738-M740 HydrophobicContact SD-SD 3.88Å; M740-F742 HydrophobicContact CB-CD2 4.07Å; M740-F742 HydrophobicContact CB-CE2 3.53Å; M740-F742 HydrophobicContact CB-CZ 4.36Å; M740-F742 HydrophobicContact CE-CE2 4.13Å; M740-F742 HydrophobicContact CE-CZ 4.29Å; M740-F742 HydrophobicContact CG-CE2 4.28Å; M740-F742 HydrophobicContact SD-CE2 3.88Å; M740-F742 HydrophobicContact SD-CZ 3.82Å; M740-I755 HydrophobicContact CE-CD1 3.99Å; M740-I755 HydrophobicContact SD-CD1 3.97Å; M740-L770 HydrophobicContact CE-CD1 3.95Å; M740-D783 CarbonylContact O-C 3.44Å; M740-D783 WeakPolarHBondContact O-CA 3.42Å; M740-V784 PolarHBondContact N-O 3.36Å; M740-V784 PolarHBondContact O-N 3.44Å; M740-L786 HydrophobicContact CE-CB 3.72Å; M740-L786 HydrophobicContact CE-CD2 3.84Å; M740-L786 HydrophobicContact CE-CG 4.44Å
741N97.4Very high92.8Very high27 Ų2756.5 Ų56.514%0.14428%0.278CS..EExtended strand (participates in β ladder)trans-122.4116.1166.2-176.8-86.9000108.2I725 S726 T743 I782 D783I725-N741 WeakPolarHBondContact CA-O 2.99Å; S726-N741 PolarHBondContact N-O 2.86Å; S726-N741 VanDerWaalsContact N-O 3.08Å; S726-N741 PolarHBondContact O-N 3.48Å; N741-T743 PolarHBondContact OD1-OG1 3.48Å; N741-I782 WeakPolarHBondContact CA-O 3.4Å; N741-D783 WeakPolarHBondContact CB-OD1 3.1Å; N741-D783 PolarHBondContact ND2-OD1 2.95Å
742F98Very high93Very high0 Ų059.5 Ų59.50%030%0.296CS..EExtended strand (participates in β ladder)trans-97123176.3-68-104.6000108.3L723 I725 M740 F753 L770 I772 L776 S781 I782 V784 V807L723-F742 HydrophobicContact CD1-CD1 4.24Å; I725-F742 HydrophobicContact CD1-CD1 3.93Å; I725-F742 HydrophobicContact CD1-CE1 3.55Å; I725-F742 HydrophobicContact CD1-CZ 4.34Å; I725-F742 HydrophobicContact CG1-CD1 3.84Å; I725-F742 HydrophobicContact CG1-CE1 3.95Å; M740-F742 HydrophobicContact CB-CD2 4.07Å; M740-F742 HydrophobicContact CB-CE2 3.53Å; M740-F742 HydrophobicContact CB-CZ 4.36Å; M740-F742 HydrophobicContact CE-CE2 4.13Å; M740-F742 HydrophobicContact CE-CZ 4.29Å; M740-F742 HydrophobicContact CG-CE2 4.28Å; M740-F742 HydrophobicContact SD-CE2 3.88Å; M740-F742 HydrophobicContact SD-CZ 3.82Å; F742-F753 HydrophobicContact CD1-CD1 4.39Å; F742-F753 HydrophobicContact CD1-CE1 4.11Å; F742-F753 HydrophobicContact CE1-CD1 4.48Å; F742-L770 HydrophobicContact CE1-CD2 4.35Å; F742-L770 HydrophobicContact CE2-CD1 4.35Å; F742-L770 HydrophobicContact CZ-CD1 4.25Å; F742-L770 HydrophobicContact CZ-CD2 3.94Å; F742-I772 HydrophobicContact CD1-CD1 4.1Å; F742-I772 HydrophobicContact CD2-CD1 3.8Å; F742-I772 HydrophobicContact CE1-CD1 4.24Å; F742-I772 HydrophobicContact CE2-CD1 3.95Å; F742-I772 HydrophobicContact CG-CD1 3.89Å; F742-I772 HydrophobicContact CZ-CD1 4.18Å; F742-L776 HydrophobicContact CB-CD2 4.13Å; F742-S781 CarbonylContact O-C 3.59Å; F742-S781 WeakPolarHBondContact O-CA 3.29Å; F742-I782 HydrophobicContact CB-CG2 3.89Å; F742-I782 PolarHBondContact N-O 3.47Å; F742-I782 PolarHBondContact O-N 3.22Å; F742-V784 HydrophobicContact CD2-CB 4.4Å; F742-V784 HydrophobicContact CD2-CG2 3.93Å; F742-V784 HydrophobicContact CE2-CB 4.19Å; F742-V784 HydrophobicContact CE2-CG2 4.09Å; F742-V807 HydrophobicContact CE1-CG1 3.99Å; F742-V807 HydrophobicContact CE1-CG2 4.4Å
743T97.6Very high93.6Very high16 Ų1654.3 Ų54.310%0.09828%0.276CS..EExtended strand (participates in β ladder)trans-121.7124.3178.8-63.90000110.1E724 N741 K745 S781E724-T743 PolarHBondContact N-O 3.09Å; E724-T743 PolarHBondContact O-N 3.28Å; N741-T743 PolarHBondContact OD1-OG1 3.48Å; T743-K745 HydrophobicContact CG2-CG 4.01Å; T743-S781 WeakPolarHBondContact CB-OG 3.5Å; T743-S781 WeakPolarHBondContact CG2-OG 3.38Å; T743-S781 WeakPolarHBondContact OG1-CB 3.4Å; T743-S781 PolarHBondContact OG1-OG 2.83Å
744N97.7Very high94.4Very high0 Ų047.7 Ų47.70%025%0.254CS..EExtended strand (participates in β ladder)trans-91.3106.9175.5-178.93.2000110.2A746 Q748 M750 L776 N779 Q780N744-A746 WeakPolarHBondContact OD1-CA 3.46Å; N744-A746 WeakPolarHBondContact OD1-CB 3.31Å; N744-A746 PolarHBondContact OD1-N 3.13Å; N744-A746 PolarHBondContact OD1-O 3.17Å; N744-Q748 PolarHBondContact ND2-O 3.47Å; N744-M750 HydrophobicContact CB-CE 4.42Å; N744-M750 HydrophobicContact CB-SD 4.04Å; N744-M750 WeakPolarHBondContact OD1-CE 3.3Å; N744-L776 HydrophobicContact CB-CD2 3.8Å; N744-L776 HydrophobicContact CB-CG 3.8Å; N744-L776 PolarHBondContact ND2-O 3.04Å; N744-N779 WeakPolarHBondContact O-CA 3.43Å; N744-N779 PolarHBondContact O-N 3.2Å; N744-Q780 PolarHBondContact N-O 3.26Å
745K95.9Very high95.1Very high105 Ų10547 Ų4746%0.45724%0.24SC..  trans-98.66.7172.9-58.9-171.3-180164.90113.1A717 G722 E724 T743A717-K745 HydrophobicContact CB-CB 4.29Å; A717-K745 HydrophobicContact CB-CD 3.93Å; A717-K745 HydrophobicContact CB-CG 4.41Å; G722-K745 WeakPolarHBondContact O-CA 3.31Å; G722-K745 WeakPolarHBondContact O-CB 3.33Å; G722-K745 PolarHBondContact O-N 3.18Å; E724-K745 WeakPolarHBondContact OE1-CE 3.38Å; E724-K745 IonicContact OE1-NZ 3.5Å; E724-K745 PolarHBondContact OE1-NZ 2.96Å; E724-K745 IonicContact OE2-NZ 3.41Å; E724-K745 PolarHBondContact OE2-NZ 3.43Å; T743-K745 HydrophobicContact CG2-CG 4.01Å
746A92.9Very high95.4Very high20 Ų2048.4 Ų48.417%0.16525%0.247CC..SBendtrans-85.4165.3173.800000111.4N744 Q748 M750 P778N744-A746 WeakPolarHBondContact OD1-CA 3.46Å; N744-A746 WeakPolarHBondContact OD1-CB 3.31Å; N744-A746 PolarHBondContact OD1-N 3.13Å; N744-A746 PolarHBondContact OD1-O 3.17Å; A746-Q748 VanDerWaalsContact C-N 3.33Å; A746-M750 HydrophobicContact CB-CE 3.85Å; A746-P778 VanDerWaalsContact O-CB 3.26Å; A746-P778 WeakPolarHBondContact O-CB 3.42Å
747L89.7Confident95.6Very high173 Ų17348.7 Ų48.791%0.90625%0.248SC*.SBendtrans-80.3-13.6173.3-70170.5000113.3P778L747-P778 WeakPolarHBondContact O-CG 3.26Å
748Q91Very high95.6Very high110 Ų11049.7 Ų49.751%0.51426%0.257SS..SBendtrans-98.7143.7-179.8-170.4174.82.800110.6N744 A746N744-Q748 PolarHBondContact ND2-O 3.47Å; A746-Q748 VanDerWaalsContact C-N 3.33Å
749H92.4Very high95.5Very high91 Ų9152.1 Ų52.142%0.42127%0.267SS..  trans-70.2142.5172.959.8-91.4000110.9M777 N810H749-M777 HydrophobicContact CB-SD 3.98Å; H749-N810 PolarHBondContact O-ND2 3.26Å; H749-N810 VanDerWaalsContact O-ND2 3.16Å
750M96.1Very high95.5Very high0 Ų051.1 Ų51.10%026%0.263CS..BIsolated β-bridgetrans-106.3131.2179.3-65.2172.7-175.700110.7L723 N744 A746 F753 L776 N810 I811L723-M750 HydrophobicContact CB-CE 3.85Å; L723-M750 HydrophobicContact CB-SD 3.91Å; L723-M750 HydrophobicContact CD1-SD 3.81Å; L723-M750 HydrophobicContact CG-SD 4.33Å; N744-M750 HydrophobicContact CB-CE 4.42Å; N744-M750 HydrophobicContact CB-SD 4.04Å; N744-M750 WeakPolarHBondContact OD1-CE 3.3Å; A746-M750 HydrophobicContact CB-CE 3.85Å; M750-F753 HydrophobicContact CB-CE2 3.79Å; M750-F753 HydrophobicContact CB-CZ 3.54Å; M750-F753 HydrophobicContact SD-CZ 4.35Å; M750-L776 HydrophobicContact CB-CB 4.4Å; M750-L776 PolarHBondContact N-O 3.47Å; M750-L776 PolarHBondContact O-N 3.04Å; M750-N810 VanDerWaalsContact CA-OD1 3.27Å; M750-N810 WeakPolarHBondContact CA-OD1 3.48Å; M750-I811 HydrophobicContact CE-CD1 3.74Å; M750-I811 HydrophobicContact CG-CD1 3.73Å; M750-I811 HydrophobicContact CG-CG1 4.48Å; M750-I811 HydrophobicContact SD-CD1 4.44Å
751T94.8Very high95.4Very high32 Ų3251.8 Ų51.820%0.19627%0.267CS..  trans-133.8177.6179.356.30000110.6F753 P775 N809 N810T751-F753 VanDerWaalsContact C-N 3.34Å; T751-F753 PolarHBondContact O-N 2.99Å; T751-P775 HydrophobicContact CG2-CB 3.59Å; T751-P775 HydrophobicContact CG2-CG 3.79Å; T751-N809 CarbonylContact O-C 3.51Å; T751-N809 WeakPolarHBondContact O-CA 3.33Å; T751-N809 WeakPolarHBondContact O-CB 3.11Å; T751-N810 VanDerWaalsContact N-CG 3.33Å; T751-N810 PolarHBondContact N-OD1 3.07Å; T751-N810 PolarHBondContact O-N 2.91Å; T751-N810 PolarHBondContact O-OD1 3.48Å; T751-N810 WeakPolarHBondContact OG1-CB 3.29Å; T751-N810 PolarHBondContact OG1-ND2 2.83Å
752D92.3Very high95.3Very high117 Ų11751 Ų5163%0.62626%0.263SS*.  trans60.641.6170-48.2-52.9000113.7
753F96.7Very high95.3Very high17 Ų1751 Ų518%0.07526%0.263CS..  trans-68130.5-179.9-75.9-85000111.8L723 F742 M750 T751 L770 I772 L776 V807 K808 N809L723-F753 HydrophobicContact CD1-CE1 4.22Å; L723-F753 HydrophobicContact CD2-CE1 4.18Å; F742-F753 HydrophobicContact CD1-CD1 4.39Å; F742-F753 HydrophobicContact CD1-CE1 4.11Å; F742-F753 HydrophobicContact CE1-CD1 4.48Å; M750-F753 HydrophobicContact CB-CE2 3.79Å; M750-F753 HydrophobicContact CB-CZ 3.54Å; M750-F753 HydrophobicContact SD-CZ 4.35Å; T751-F753 VanDerWaalsContact C-N 3.34Å; T751-F753 PolarHBondContact O-N 2.99Å; F753-L770 HydrophobicContact CB-CD2 3.96Å; F753-I772 HydrophobicContact CB-CB 3.99Å; F753-I772 HydrophobicContact CB-CD1 4.01Å; F753-I772 HydrophobicContact CB-CG1 4.47Å; F753-I772 HydrophobicContact CB-CG2 4.45Å; F753-I772 HydrophobicContact CD1-CD1 4.04Å; F753-I772 HydrophobicContact CD2-CB 4.03Å; F753-I772 HydrophobicContact CD2-CD1 4.16Å; F753-I772 HydrophobicContact CD2-CG2 3.53Å; F753-I772 HydrophobicContact CE2-CG2 4Å; F753-I772 HydrophobicContact CG-CB 4.19Å; F753-I772 HydrophobicContact CG-CD1 3.82Å; F753-I772 HydrophobicContact CG-CG2 4.17Å; F753-L776 HydrophobicContact CE2-CB 4.02Å; F753-L776 HydrophobicContact CZ-CB 4.29Å; F753-L776 HydrophobicContact CZ-CD2 4.1Å; F753-V807 HydrophobicContact CD1-CG1 4.35Å; F753-K808 CarbonylContact C-O 3.56Å; F753-K808 VanDerWaalsContact CA-O 3.23Å; F753-K808 WeakPolarHBondContact CA-O 3.41Å; F753-N809 HydrophobicContact CD1-CB 3.96Å; F753-N809 HydrophobicContact CE1-CB 3.93Å; F753-N809 HydrophobicContact CG-CB 4.37Å; F753-N809 HydrophobicContact CZ-CB 4.32Å
754A96Very high95.2Very high47 Ų4750.4 Ų50.439%0.38826%0.259SS..EExtended strand (participates in β ladder)trans-140.1154.1170.700000110.1V807 K808A754-V807 CarbonylContact O-C 3.59Å; A754-V807 WeakPolarHBondContact O-CA 3.37Å; A754-K808 HydrophobicContact CB-CB 4.39Å; A754-K808 PolarHBondContact N-O 3.27Å; A754-K808 PolarHBondContact O-N 3.03Å
755I96.9Very high95.2Very high25 Ų2553.2 Ų53.213%0.12827%0.274CS..EExtended strand (participates in β ladder)trans-132.1142.2179.6-162.7165.6000110.4M740 F757 P766 L770 L786 V805 A806 V807M740-I755 HydrophobicContact CE-CD1 3.99Å; M740-I755 HydrophobicContact SD-CD1 3.97Å; I755-F757 HydrophobicContact CD1-CE1 3.72Å; I755-F757 HydrophobicContact CG1-CD1 4.31Å; I755-F757 HydrophobicContact CG1-CE1 3.85Å; I755-P766 HydrophobicContact CG2-CG 4.14Å; I755-L770 HydrophobicContact CB-CB 4.24Å; I755-L770 HydrophobicContact CB-CD2 4.12Å; I755-L770 HydrophobicContact CG2-CB 3.78Å; I755-L770 HydrophobicContact CG2-CD1 4.33Å; I755-L770 HydrophobicContact CG2-CD2 4.5Å; I755-L770 HydrophobicContact CG2-CG 4.43Å; I755-L786 HydrophobicContact CD1-CD2 4Å; I755-L786 HydrophobicContact CG2-CD2 3.77Å; I755-V805 HydrophobicContact CD1-CG1 3.82Å; I755-V805 HydrophobicContact CG1-CG1 3.76Å; I755-A806 CarbonylContact C-O 3.56Å; I755-A806 WeakPolarHBondContact CA-O 3.48Å; I755-V807 HydrophobicContact CB-CG2 4.47Å; I755-V807 HydrophobicContact CD1-CG2 4Å; I755-V807 HydrophobicContact CG1-CG2 3.87Å
756Q96.1Very high95.3Very high143 Ų14349.4 Ų49.467%0.66826%0.26SS*.EExtended strand (participates in β ladder)trans-142.3141.8173.5-168.4173.322.300109.3A806Q756-A806 PolarHBondContact N-O 3.07Å; Q756-A806 PolarHBondContact O-N 3.33Å
757F97.3Very high95.3Very high19 Ų1951.2 Ų51.28%0.08327%0.271CS..EExtended strand (participates in β ladder)trans-103.1144.9175.2-62.7-4.8000109.4M738 I755 V764 P766 L786 L788 L803 V805M738-F757 HydrophobicContact SD-CE1 3.9Å; M738-F757 HydrophobicContact SD-CE2 4.41Å; M738-F757 HydrophobicContact SD-CZ 3.42Å; M738-F757 WeakPolarHBondContact SD-CZ 3.46Å; I755-F757 HydrophobicContact CD1-CE1 3.72Å; I755-F757 HydrophobicContact CG1-CD1 4.31Å; I755-F757 HydrophobicContact CG1-CE1 3.85Å; F757-V764 HydrophobicContact CD2-CG1 4.23Å; F757-V764 HydrophobicContact CE2-CG1 4.12Å; F757-P766 HydrophobicContact CD1-CG 4.14Å; F757-P766 HydrophobicContact CD2-CG 4.15Å; F757-P766 HydrophobicContact CE1-CG 3.92Å; F757-P766 HydrophobicContact CE2-CG 3.93Å; F757-P766 HydrophobicContact CG-CG 4.22Å; F757-P766 HydrophobicContact CZ-CG 3.79Å; F757-L786 HydrophobicContact CZ-CD2 4.14Å; F757-L788 HydrophobicContact CE2-CD1 4.24Å; F757-L788 HydrophobicContact CE2-CD2 3.55Å; F757-L788 HydrophobicContact CE2-CG 4.49Å; F757-L788 HydrophobicContact CZ-CD2 3.75Å; F757-L803 HydrophobicContact CB-CD1 4.17Å; F757-L803 HydrophobicContact CD2-CD1 3.87Å; F757-L803 HydrophobicContact CD2-CD2 3.95Å; F757-L803 HydrophobicContact CD2-CG 4.38Å; F757-L803 HydrophobicContact CE2-CD2 3.84Å; F757-L803 HydrophobicContact CG-CD1 4.12Å; F757-L803 HydrophobicContact CG-CD2 4.4Å; F757-L803 HydrophobicContact CZ-CD2 4.21Å; F757-V805 HydrophobicContact CD1-CB 4.34Å; F757-V805 HydrophobicContact CD1-CG1 3.94Å; F757-V805 HydrophobicContact CD1-CG2 3.88Å; F757-V805 HydrophobicContact CE1-CG1 3.9Å; F757-V805 HydrophobicContact CE1-CG2 4.01Å
758N96Very high95.5Very high77 Ų7746.2 Ų46.241%0.41225%0.248SC..PPolyproline II helixtrans-74.5165.3168.9-155.3-3.6000110.6N760 Q804N758-N760 PolarHBondContact O-N 2.94Å; N758-N760 PolarHBondContact O-ND2 3.37Å; N758-N760 VanDerWaalsContact O-ND2 3.07Å; N758-Q804 HydrophobicContact CB-CB 3.85Å; N758-Q804 PolarHBondContact N-O 2.86Å; N758-Q804 PolarHBondContact ND2-OE1 3.23Å
759K96.3Very high95.5Very high51 Ų5146.5 Ų46.522%0.22226%0.259CS..PPolyproline II helixtrans-52.4137.1168.2-55.8-167.3174.8-175.10108.7E297 P793 M795E297-K759 IonicContact OE1-NZ 2.85Å; E297-K759 PolarHBondContact OE1-NZ 3.45Å; E297-K759 VanDerWaalsContact OE1-NZ 3.07Å; K759-P793 HydrophobicContact CD-CB 4Å; K759-P793 HydrophobicContact CD-CG 4.5Å; K759-P793 HydrophobicContact CG-CB 3.86Å; K759-P793 HydrophobicContact CG-CG 3.86Å; K759-M795 HydrophobicContact CB-CB 3.53Å; K759-M795 HydrophobicContact CD-CB 4.43Å
760N96.5Very high95.5Very high4 Ų442.9 Ų42.92%0.02124%0.243CC..BIsolated β-bridgetrans-145.9167.5-175.86180.5000111.4N758 F762 G763 V764 V794 M795 M797 L803N758-N760 PolarHBondContact O-N 2.94Å; N758-N760 PolarHBondContact O-ND2 3.37Å; N758-N760 VanDerWaalsContact O-ND2 3.07Å; N760-F762 PolarHBondContact O-N 3Å; N760-F762 PolarHBondContact OD1-N 3.25Å; N760-G763 PolarHBondContact O-N 3.35Å; N760-G763 PolarHBondContact OD1-N 2.67Å; N760-G763 VanDerWaalsContact OD1-N 3.07Å; N760-V764 PolarHBondContact ND2-N 3.35Å; N760-V764 PolarHBondContact ND2-O 2.96Å; N760-V764 PolarHBondContact OD1-N 3.35Å; N760-V794 VanDerWaalsContact O-CA 3.31Å; N760-V794 WeakPolarHBondContact O-CA 3.43Å; N760-M795 CarbonylContact C-O 3.57Å; N760-M795 WeakPolarHBondContact CA-O 3.41Å; N760-M795 PolarHBondContact O-N 3.24Å; N760-M797 HydrophobicContact CB-CG 4.32Å; N760-L803 HydrophobicContact CB-CD1 4.08Å
761S96.2Very high95.1Very high13 Ų1345.5 Ų45.59%0.09127%0.265CS..THydrogen-bonded Turntrans-63.8-19-167.6-460000114.5V794 M795 M797 L800S761-V794 WeakPolarHBondContact O-CG1 3.16Å; S761-M795 VanDerWaalsContact CA-O 3.31Å; S761-M795 WeakPolarHBondContact CA-O 3.34Å; S761-M795 PolarHBondContact N-O 3.01Å; S761-M797 WeakPolarHBondContact OG-CB 3.38Å; S761-M797 PolarHBondContact OG-N 3.16Å; S761-L800 WeakPolarHBondContact CB-O 3.44Å; S761-L800 PolarHBondContact OG-O 2.7Å
762F96Very high94.8Very high11 Ų1144.7 Ų44.75%0.04826%0.259CS..THydrogen-bonded Turntrans-12110.3-174.9-60.1-80.1000113.2N760 V764 T790 L800 L822 L825 L893N760-F762 PolarHBondContact O-N 3Å; N760-F762 PolarHBondContact OD1-N 3.25Å; F762-V764 HydrophobicContact CB-CG2 4.04Å; F762-V764 PolarHBondContact O-N 3.04Å; F762-T790 WeakPolarHBondContact O-CB 3.42Å; F762-L800 WeakPolarHBondContact CE2-O 3.34Å; F762-L822 HydrophobicContact CD2-CD2 4.36Å; F762-L822 HydrophobicContact CE1-CD2 4.42Å; F762-L822 HydrophobicContact CE2-CD2 3.58Å; F762-L822 HydrophobicContact CZ-CD2 3.61Å; F762-L825 HydrophobicContact CB-CD1 3.82Å; F762-L825 HydrophobicContact CD1-CD1 3.84Å; F762-L825 HydrophobicContact CD2-CD1 3.64Å; F762-L825 HydrophobicContact CE1-CD1 4.32Å; F762-L825 HydrophobicContact CE2-CD1 4.15Å; F762-L825 HydrophobicContact CG-CD1 3.47Å; F762-L825 VanDerWaalsContact CG-CD1 3.47Å; F762-L825 HydrophobicContact CZ-CD1 4.46Å; F762-L893 HydrophobicContact CE1-CD1 3.89Å
763G96.1Very high94.5Very high0 Ų047 Ų470%027%0.266CS..  trans63.627.4178.600000113.6N760 I765 T790 L791 G792N760-G763 PolarHBondContact O-N 3.35Å; N760-G763 PolarHBondContact OD1-N 2.67Å; N760-G763 VanDerWaalsContact OD1-N 3.07Å; G763-I765 PolarHBondContact O-N 3.29Å; G763-T790 CarbonylContact O-C 3.41Å; G763-T790 WeakPolarHBondContact O-CA 3.47Å; G763-L791 PolarHBondContact O-N 2.87Å; G763-G792 VanDerWaalsContact CA-O 3.28Å; G763-G792 WeakPolarHBondContact CA-O 3.4Å; G763-G792 VanDerWaalsContact O-CA 3.22Å; G763-G792 WeakPolarHBondContact O-CA 3.43Å; G763-G792 PolarHBondContact O-N 3.38Å
764V97.5Very high94Very high4 Ų450.3 Ų50.32%0.02429%0.287CS..  trans-67.9127.3-178-177.50000109.8F757 N760 F762 L788 N789 T790 L803 I820 L825F757-V764 HydrophobicContact CD2-CG1 4.23Å; F757-V764 HydrophobicContact CE2-CG1 4.12Å; N760-V764 PolarHBondContact ND2-N 3.35Å; N760-V764 PolarHBondContact ND2-O 2.96Å; N760-V764 PolarHBondContact OD1-N 3.35Å; F762-V764 HydrophobicContact CB-CG2 4.04Å; F762-V764 PolarHBondContact O-N 3.04Å; V764-L788 HydrophobicContact CG1-CB 4.28Å; V764-L788 HydrophobicContact CG1-CD1 3.78Å; V764-N789 CarbonylContact C-O 3.4Å; V764-N789 VanDerWaalsContact CA-O 3.29Å; V764-N789 WeakPolarHBondContact CA-O 3.35Å; V764-T790 HydrophobicContact CG2-CG2 4.24Å; V764-L803 HydrophobicContact CB-CD1 4.43Å; V764-I820 HydrophobicContact CB-CD1 4.27Å; V764-I820 HydrophobicContact CG1-CD1 4.36Å; V764-I820 HydrophobicContact CG2-CD1 3.85Å; V764-L825 HydrophobicContact CG2-CD2 4.38Å
765I97.3Very high93.7Very high59 Ų5950.9 Ų50.930%0.30329%0.287SS..EExtended strand (participates in β ladder)trans-146.1150179.7-167.5168.8000110.6G763 S767 L788 N789G763-I765 PolarHBondContact O-N 3.29Å; I765-S767 PolarHBondContact O-N 3.2Å; I765-L788 WeakPolarHBondContact O-CA 3.48Å; I765-N789 WeakPolarHBondContact CG2-OD1 3.44Å; I765-N789 PolarHBondContact N-O 3.12Å; I765-N789 PolarHBondContact O-N 2.7Å
766P97.2Very high93.7Very high25 Ų2549.9 Ų49.916%0.16228%0.282CS..EExtended strand (participates in β ladder)trans-60.9130.5171.2-23.336000111.5I755 F757 L786I755-P766 HydrophobicContact CG2-CG 4.14Å; F757-P766 HydrophobicContact CD1-CG 4.14Å; F757-P766 HydrophobicContact CD2-CG 4.15Å; F757-P766 HydrophobicContact CE1-CG 3.92Å; F757-P766 HydrophobicContact CE2-CG 3.93Å; F757-P766 HydrophobicContact CG-CG 4.22Å; F757-P766 HydrophobicContact CZ-CG 3.79Å; P766-L786 HydrophobicContact CB-CD1 4.21Å; P766-L786 HydrophobicContact CB-CD2 3.99Å; P766-L786 HydrophobicContact CB-CG 4.24Å; P766-L786 HydrophobicContact CG-CD2 3.99Å
767S93.5Very high93.6Very high58 Ų5847.9 Ų47.941%0.40627%0.274SS..SBendtrans-77.8-24.6175.3-62.10000112.5I765 P787 L788 N789I765-S767 PolarHBondContact O-N 3.2Å; S767-P787 WeakPolarHBondContact CB-O 3.33Å; S767-P787 PolarHBondContact N-O 3.14Å; S767-L788 PolarHBondContact OG-O 3.31Å; S767-N789 WeakPolarHBondContact OG-CB 3.37Å; S767-N789 PolarHBondContact OG-N 3.31Å; S767-N789 PolarHBondContact OG-ND2 3.08Å
768T93.3Very high93.5Very high67 Ų6749.3 Ų49.341%0.41129%0.285SS..SBendtrans-135.7158.2178.961.40000110.2L786 P787T768-L786 WeakPolarHBondContact O-CD1 3.17Å; T768-P787 HydrophobicContact CG2-CG 3.99Å; T768-P787 WeakPolarHBondContact OG1-CD 3.45Å; T768-P787 VanDerWaalsContact OG1-CG 3.24Å; T768-P787 WeakPolarHBondContact OG1-CG 3.37Å
769P91.1Very high93.4Very high117 Ų11752.2 Ų52.276%0.7630%0.301SS*.  trans-56.9156.9169.3-23.434.2000112.6A771P769-A771 PolarHBondContact O-N 3.48Å
770L92.9Very high93.3Very high14 Ų1453.7 Ų53.77%0.07331%0.308CS..  trans-67.6115.5177.4-173.265.8000110.7M740 F742 F753 I755 I772 V784 L786M740-L770 HydrophobicContact CE-CD1 3.95Å; F742-L770 HydrophobicContact CE1-CD2 4.35Å; F742-L770 HydrophobicContact CE2-CD1 4.35Å; F742-L770 HydrophobicContact CZ-CD1 4.25Å; F742-L770 HydrophobicContact CZ-CD2 3.94Å; F753-L770 HydrophobicContact CB-CD2 3.96Å; I755-L770 HydrophobicContact CB-CB 4.24Å; I755-L770 HydrophobicContact CB-CD2 4.12Å; I755-L770 HydrophobicContact CG2-CB 3.78Å; I755-L770 HydrophobicContact CG2-CD1 4.33Å; I755-L770 HydrophobicContact CG2-CD2 4.5Å; I755-L770 HydrophobicContact CG2-CG 4.43Å; L770-I772 HydrophobicContact CD2-CD1 3.9Å; L770-I772 HydrophobicContact CD2-CG1 4.43Å; L770-I772 HydrophobicContact CG-CD1 4.14Å; L770-I772 HydrophobicContact CG-CG1 4.17Å; L770-I772 PolarHBondContact O-N 3.31Å; L770-V784 HydrophobicContact CD1-CG1 3.75Å; L770-L786 HydrophobicContact CD1-CD1 4.45Å
771A86.4Confident93.3Very high56 Ų5656.4 Ų56.446%0.46333%0.328SS..  trans-86.164.8-174.300000113.2P769P769-A771 PolarHBondContact O-N 3.48Å
772I90Very high93.3Very high14 Ų1457.8 Ų57.87%0.07233%0.333CS..  trans-11189.6169.2-57.8174000108.1F742 F753 L770 I782 V784F742-I772 HydrophobicContact CD1-CD1 4.1Å; F742-I772 HydrophobicContact CD2-CD1 3.8Å; F742-I772 HydrophobicContact CE1-CD1 4.24Å; F742-I772 HydrophobicContact CE2-CD1 3.95Å; F742-I772 HydrophobicContact CG-CD1 3.89Å; F742-I772 HydrophobicContact CZ-CD1 4.18Å; F753-I772 HydrophobicContact CB-CB 3.99Å; F753-I772 HydrophobicContact CB-CD1 4.01Å; F753-I772 HydrophobicContact CB-CG1 4.47Å; F753-I772 HydrophobicContact CB-CG2 4.45Å; F753-I772 HydrophobicContact CD1-CD1 4.04Å; F753-I772 HydrophobicContact CD2-CB 4.03Å; F753-I772 HydrophobicContact CD2-CD1 4.16Å; F753-I772 HydrophobicContact CD2-CG2 3.53Å; F753-I772 HydrophobicContact CE2-CG2 4Å; F753-I772 HydrophobicContact CG-CB 4.19Å; F753-I772 HydrophobicContact CG-CD1 3.82Å; F753-I772 HydrophobicContact CG-CG2 4.17Å; L770-I772 HydrophobicContact CD2-CD1 3.9Å; L770-I772 HydrophobicContact CD2-CG1 4.43Å; L770-I772 HydrophobicContact CG-CD1 4.14Å; L770-I772 HydrophobicContact CG-CG1 4.17Å; L770-I772 PolarHBondContact O-N 3.31Å; I772-I782 HydrophobicContact CD1-CG2 4.42Å; I772-I782 HydrophobicContact CG2-CD1 4.42Å; I772-V784 HydrophobicContact CD1-CG2 3.92Å; I772-V784 HydrophobicContact CG1-CG2 3.6Å
773H84.6Confident93.3Very high166 Ų16662.2 Ų62.277%0.76936%0.358SS*.  trans-90.6-21.6-173.5-59.3-59.9000113.9
774T87.1Confident93.3Very high86 Ų8662.7 Ų62.753%0.52836%0.361SS..SBendtrans-97.3139.7179.347.20000110.7L776T774-L776 PolarHBondContact O-N 3.29Å
775P90.5Very high93.2Very high60 Ų6065 Ų6539%0.3938%0.377SS..  trans-54.9126.7170.8-25.133.6000111.2T751 M777T751-P775 HydrophobicContact CG2-CB 3.59Å; T751-P775 HydrophobicContact CG2-CG 3.79Å; P775-M777 PolarHBondContact O-N 3.07Å
776L95Very high93.2Very high4 Ų462.3 Ų62.32%0.02136%0.363CS..BIsolated β-bridgetrans-83104.3178.2-170.765.2000109F742 N744 M750 F753 T774 Q780 I782F742-L776 HydrophobicContact CB-CD2 4.13Å; N744-L776 HydrophobicContact CB-CD2 3.8Å; N744-L776 HydrophobicContact CB-CG 3.8Å; N744-L776 PolarHBondContact ND2-O 3.04Å; M750-L776 HydrophobicContact CB-CB 4.4Å; M750-L776 PolarHBondContact N-O 3.47Å; M750-L776 PolarHBondContact O-N 3.04Å; F753-L776 HydrophobicContact CE2-CB 4.02Å; F753-L776 HydrophobicContact CZ-CB 4.29Å; F753-L776 HydrophobicContact CZ-CD2 4.1Å; T774-L776 PolarHBondContact O-N 3.29Å; L776-Q780 HydrophobicContact CD1-CB 3.99Å; L776-Q780 HydrophobicContact CD1-CG 4.02Å; L776-I782 HydrophobicContact CD1-CB 4.06Å; L776-I782 HydrophobicContact CD1-CG2 3.81Å; L776-I782 HydrophobicContact CD2-CG2 4.36Å
777M95.7Very high93.2Very high101 Ų10162.6 Ų62.650%0.49837%0.365SS..  trans-71.4159.3-176.1-63.2-62.9-166.800112H749 P775 N779 Q780H749-M777 HydrophobicContact CB-SD 3.98Å; P775-M777 PolarHBondContact O-N 3.07Å; M777-N779 PolarHBondContact O-N 3.42Å; M777-Q780 HydrophobicContact CB-CB 4.32Å; M777-Q780 WeakPolarHBondContact O-CB 3.32Å; M777-Q780 PolarHBondContact O-N 3.06Å
778P95.2Very high93.4Very high49 Ų4960.2 Ų60.232%0.31835%0.348SS..THydrogen-bonded Turntrans-50.8134.5172.4-31.239000112.9A746 L747 Q780A746-P778 VanDerWaalsContact O-CB 3.26Å; A746-P778 WeakPolarHBondContact O-CB 3.42Å; L747-P778 WeakPolarHBondContact O-CG 3.26Å; P778-Q780 PolarHBondContact O-N 3.39Å
779N92.2Very high93.5Very high137 Ų13759.2 Ų59.273%0.73334%0.34SS*.THydrogen-bonded Turntrans60.918.1-175.6-56.7-50.6000115.5N744 M777N744-N779 WeakPolarHBondContact O-CA 3.43Å; N744-N779 PolarHBondContact O-N 3.2Å; M777-N779 PolarHBondContact O-N 3.42Å
780Q96.1Very high93.7Very high83 Ų8355.4 Ų55.439%0.38831%0.314SS..  trans-98.7148.1174.3-165.1179.65.200110.9N744 L776 M777 P778N744-Q780 PolarHBondContact N-O 3.26Å; L776-Q780 HydrophobicContact CD1-CB 3.99Å; L776-Q780 HydrophobicContact CD1-CG 4.02Å; M777-Q780 HydrophobicContact CB-CB 4.32Å; M777-Q780 WeakPolarHBondContact O-CB 3.32Å; M777-Q780 PolarHBondContact O-N 3.06Å; P778-Q780 PolarHBondContact O-N 3.39Å
781S96.1Very high93.7Very high61 Ų6162.3 Ų62.343%0.42735%0.351SS..EExtended strand (participates in β ladder)trans-119.7150171.2-53.70000110.9F742 T743F742-S781 CarbonylContact O-C 3.59Å; F742-S781 WeakPolarHBondContact O-CA 3.29Å; T743-S781 WeakPolarHBondContact CB-OG 3.5Å; T743-S781 WeakPolarHBondContact CG2-OG 3.38Å; T743-S781 WeakPolarHBondContact OG1-CB 3.4Å; T743-S781 PolarHBondContact OG1-OG 2.83Å
782I96.2Very high94Very high41 Ų4160.2 Ų60.221%0.2133%0.334CS..EExtended strand (participates in β ladder)trans-135.4132.7172.9-170.4168.1000110.1N741 F742 I772 L776 V784N741-I782 WeakPolarHBondContact CA-O 3.4Å; F742-I782 HydrophobicContact CB-CG2 3.89Å; F742-I782 PolarHBondContact N-O 3.47Å; F742-I782 PolarHBondContact O-N 3.22Å; I772-I782 HydrophobicContact CD1-CG2 4.42Å; I772-I782 HydrophobicContact CG2-CD1 4.42Å; L776-I782 HydrophobicContact CD1-CB 4.06Å; L776-I782 HydrophobicContact CD1-CG2 3.81Å; L776-I782 HydrophobicContact CD2-CG2 4.36Å; I782-V784 HydrophobicContact CG1-CG2 4.44Å; I782-V784 HydrophobicContact CG2-CG2 4.36Å
783D96.2Very high94.1Very high104 Ų10462.8 Ų62.856%0.55635%0.352SS*.EExtended strand (participates in β ladder)trans-88.8135.9171.3-72.2-59.7000110.2K711 M740 N741K711-D783 IonicContact NZ-OD1 2.72Å; K711-D783 PolarHBondContact NZ-OD1 3.23Å; K711-D783 VanDerWaalsContact NZ-OD1 3.09Å; M740-D783 CarbonylContact O-C 3.44Å; M740-D783 WeakPolarHBondContact O-CA 3.42Å; N741-D783 WeakPolarHBondContact CB-OD1 3.1Å; N741-D783 PolarHBondContact ND2-OD1 2.95Å
784V95.5Very high94.5Very high11 Ų1159.6 Ų59.67%0.06734%0.344CS..EExtended strand (participates in β ladder)trans-135.2126.7-177.2-175.40000109.3M740 F742 L770 I772 I782M740-V784 PolarHBondContact N-O 3.36Å; M740-V784 PolarHBondContact O-N 3.44Å; F742-V784 HydrophobicContact CD2-CB 4.4Å; F742-V784 HydrophobicContact CD2-CG2 3.93Å; F742-V784 HydrophobicContact CE2-CB 4.19Å; F742-V784 HydrophobicContact CE2-CG2 4.09Å; L770-V784 HydrophobicContact CD1-CG1 3.75Å; I772-V784 HydrophobicContact CD1-CG2 3.92Å; I772-V784 HydrophobicContact CG1-CG2 3.6Å; I782-V784 HydrophobicContact CG1-CG2 4.44Å; I782-V784 HydrophobicContact CG2-CG2 4.36Å
785S95.7Very high94.8Very high53 Ų5359.6 Ų59.637%0.37134%0.339SS..EExtended strand (participates in β ladder)trans-104.3105.9172.9172.20000109.1Y737 E739Y737-S785 VanDerWaalsContact CD1-OG 3.27Å; Y737-S785 WeakPolarHBondContact CD1-OG 3.25Å; E739-S785 VanDerWaalsContact OE2-CB 3.29Å; E739-S785 WeakPolarHBondContact OE2-CB 3.39Å
786L97Very high94.9Very high2 Ų262.7 Ų62.71%0.0135%0.346CS..EExtended strand (participates in β ladder)trans-97.3114-178.4-177.668.5000110.5Y737 M738 M740 I755 F757 P766 T768 L770 L788Y737-L786 WeakPolarHBondContact CA-O 3.38Å; M738-L786 HydrophobicContact CB-CB 4.32Å; M738-L786 PolarHBondContact N-O 2.96Å; M738-L786 PolarHBondContact O-N 3.03Å; M740-L786 HydrophobicContact CE-CB 3.72Å; M740-L786 HydrophobicContact CE-CD2 3.84Å; M740-L786 HydrophobicContact CE-CG 4.44Å; I755-L786 HydrophobicContact CD1-CD2 4Å; I755-L786 HydrophobicContact CG2-CD2 3.77Å; F757-L786 HydrophobicContact CZ-CD2 4.14Å; P766-L786 HydrophobicContact CB-CD1 4.21Å; P766-L786 HydrophobicContact CB-CD2 3.99Å; P766-L786 HydrophobicContact CB-CG 4.24Å; P766-L786 HydrophobicContact CG-CD2 3.99Å; T768-L786 WeakPolarHBondContact O-CD1 3.17Å; L770-L786 HydrophobicContact CD1-CD1 4.45Å; L786-L788 HydrophobicContact CD2-CD2 4.12Å; L786-L788 HydrophobicContact CG-CD2 4.11Å
787P96.7Very high94.8Very high31 Ų3163.2 Ų63.220%0.20135%0.349CS..EExtended strand (participates in β ladder)trans-68.1136.9175.327.9-34000110.8Y737 S767 T768Y737-P787 HydrophobicContact CD1-CB 4.03Å; Y737-P787 HydrophobicContact CE1-CB 3.76Å; S767-P787 WeakPolarHBondContact CB-O 3.33Å; S767-P787 PolarHBondContact N-O 3.14Å; T768-P787 HydrophobicContact CG2-CG 3.99Å; T768-P787 WeakPolarHBondContact OG1-CD 3.45Å; T768-P787 VanDerWaalsContact OG1-CG 3.24Å; T768-P787 WeakPolarHBondContact OG1-CG 3.37Å
788L97.6Very high94.6Very high7 Ų765.3 Ų65.34%0.03736%0.358CS..EExtended strand (participates in β ladder)trans-117.8157.3-179.8-50.7-178.4000110.9F729 I736 M738 F757 V764 I765 S767 L786F729-L788 HydrophobicContact CD1-CD1 4.09Å; F729-L788 HydrophobicContact CE1-CD1 4.01Å; I736-L788 HydrophobicContact CB-CB 4.21Å; I736-L788 HydrophobicContact CG2-CB 4.16Å; I736-L788 HydrophobicContact CG2-CD1 4.02Å; I736-L788 HydrophobicContact CG2-CG 4.47Å; I736-L788 PolarHBondContact O-N 3.45Å; M738-L788 HydrophobicContact CB-CD1 3.83Å; M738-L788 HydrophobicContact CB-CD2 4.14Å; M738-L788 HydrophobicContact CB-CG 4.15Å; F757-L788 HydrophobicContact CE2-CD1 4.24Å; F757-L788 HydrophobicContact CE2-CD2 3.55Å; F757-L788 HydrophobicContact CE2-CG 4.49Å; F757-L788 HydrophobicContact CZ-CD2 3.75Å; V764-L788 HydrophobicContact CG1-CB 4.28Å; V764-L788 HydrophobicContact CG1-CD1 3.78Å; I765-L788 WeakPolarHBondContact O-CA 3.48Å; S767-L788 PolarHBondContact OG-O 3.31Å; L786-L788 HydrophobicContact CD2-CD2 4.12Å; L786-L788 HydrophobicContact CG-CD2 4.11Å
789N95.5Very high94.5Very high46 Ų4665 Ų6525%0.24636%0.356CS..EExtended strand (participates in β ladder)trans-135.6175165.56970.5000109.9V764 I765 S767 L791V764-N789 CarbonylContact C-O 3.4Å; V764-N789 VanDerWaalsContact CA-O 3.29Å; V764-N789 WeakPolarHBondContact CA-O 3.35Å; I765-N789 WeakPolarHBondContact CG2-OD1 3.44Å; I765-N789 PolarHBondContact N-O 3.12Å; I765-N789 PolarHBondContact O-N 2.7Å; S767-N789 WeakPolarHBondContact OG-CB 3.37Å; S767-N789 PolarHBondContact OG-N 3.31Å; S767-N789 PolarHBondContact OG-ND2 3.08Å; N789-L791 WeakPolarHBondContact OD1-CB 3.12Å; N789-L791 PolarHBondContact OD1-N 3.35Å
790T95.7Very high94.5Very high37 Ų3759.2 Ų59.223%0.22732%0.324CS..SBendtrans-116.230.8-177.460.90000112.7I736 F762 G763 V764 L825 T894I736-T790 HydrophobicContact CD1-CG2 4.06Å; F762-T790 WeakPolarHBondContact O-CB 3.42Å; G763-T790 CarbonylContact O-C 3.41Å; G763-T790 WeakPolarHBondContact O-CA 3.47Å; V764-T790 HydrophobicContact CG2-CG2 4.24Å; T790-L825 HydrophobicContact CG2-CD2 4.25Å; T790-T894 HydrophobicContact CG2-CG2 3.94Å; T790-T894 WeakPolarHBondContact OG1-CB 3.22Å
791L93.9Very high94.4Very high159 Ų15955.9 Ų55.983%0.83231%0.309SS*.  trans-98.43.5179.4-59.3175.9000112.7G763 N789G763-L791 PolarHBondContact O-N 2.87Å; N789-L791 WeakPolarHBondContact OD1-CB 3.12Å; N789-L791 PolarHBondContact OD1-N 3.35Å
792G92.4Very high94.5Very high12 Ų1253.9 Ų53.912%0.12429%0.294CS..SBendtrans-74.8172.617900000113.4G763 V794G763-G792 VanDerWaalsContact CA-O 3.28Å; G763-G792 WeakPolarHBondContact CA-O 3.4Å; G763-G792 VanDerWaalsContact O-CA 3.22Å; G763-G792 WeakPolarHBondContact O-CA 3.43Å; G763-G792 PolarHBondContact O-N 3.38Å; G792-V794 PolarHBondContact O-N 3.43Å
793P92.1Very high94.6Very high69 Ų6951.9 Ų51.945%0.44828%0.284SS..PPolyproline II helixtrans-64.9133.618027.1-35000111.9K759K759-P793 HydrophobicContact CD-CB 4Å; K759-P793 HydrophobicContact CD-CG 4.5Å; K759-P793 HydrophobicContact CG-CB 3.86Å; K759-P793 HydrophobicContact CG-CG 3.86Å
794V93.1Very high94.7Very high98 Ų9850.5 Ų50.559%0.59427%0.274SS*.BIsolated β-bridgetrans-96.8130.9-176.6-178.80000110.7N760 S761 G792N760-V794 VanDerWaalsContact O-CA 3.31Å; N760-V794 WeakPolarHBondContact O-CA 3.43Å; S761-V794 WeakPolarHBondContact O-CG1 3.16Å; G792-V794 PolarHBondContact O-N 3.43Å
795M93.8Very high94.8Very high86 Ų8650.1 Ų50.142%0.42427%0.272SS..  trans-142126.9167.4-176.2174.978.600108K759 N760 S761 M797K759-M795 HydrophobicContact CB-CB 3.53Å; K759-M795 HydrophobicContact CD-CB 4.43Å; N760-M795 CarbonylContact C-O 3.57Å; N760-M795 WeakPolarHBondContact CA-O 3.41Å; N760-M795 PolarHBondContact O-N 3.24Å; S761-M795 VanDerWaalsContact CA-O 3.31Å; S761-M795 WeakPolarHBondContact CA-O 3.34Å; S761-M795 PolarHBondContact N-O 3.01Å; M795-M797 HydrophobicContact CE-CE 4.39Å; M795-M797 HydrophobicContact CE-SD 3.48Å; M795-M797 WeakPolarHBondContact CE-SD 3.4Å; M795-M797 PolarHBondContact O-N 3.36Å
796K91.5Very high94.9Very high125 Ų12548.5 Ų48.554%0.54326%0.261SS..  trans-61.9120.1179.1-176179.7172.6178.90109.4L800 E922K796-L800 HydrophobicContact CG-CD2 3.83Å; K796-E922 WeakPolarHBondContact CE-OE2 3.45Å; K796-E922 IonicContact NZ-OE1 3.6Å; K796-E922 PolarHBondContact NZ-OE1 3.44Å; K796-E922 IonicContact NZ-OE2 3.64Å; K796-E922 PolarHBondContact NZ-OE2 3.15Å
797M93.7Very high94.9Very high16 Ų1648.4 Ų48.48%0.07926%0.261CS..  trans-101.1156.4176.7-57.2-58.3-72.600110.5N760 S761 M795 P799 L800 N802 Q804N760-M797 HydrophobicContact CB-CG 4.32Å; S761-M797 WeakPolarHBondContact OG-CB 3.38Å; S761-M797 PolarHBondContact OG-N 3.16Å; M795-M797 HydrophobicContact CE-CE 4.39Å; M795-M797 HydrophobicContact CE-SD 3.48Å; M795-M797 WeakPolarHBondContact CE-SD 3.4Å; M795-M797 PolarHBondContact O-N 3.36Å; M797-P799 CarbonylContact C-O 3.42Å; M797-P799 WeakPolarHBondContact CB-O 3.04Å; M797-P799 CarbonylContact O-C 3.58Å; M797-P799 VanDerWaalsContact O-C 3.3Å; M797-L800 VanDerWaalsContact O-CA 3.29Å; M797-L800 WeakPolarHBondContact O-CA 3.46Å; M797-L800 PolarHBondContact O-N 2.89Å; M797-N802 HydrophobicContact CB-CB 4.2Å; M797-Q804 HydrophobicContact CE-CG 4.12Å
798E90.1Very high94.8Very high145 Ų14552.4 Ų52.468%0.67828%0.275SS*.SBendtrans-121.6117167.1-167.959.8-128.300108.4
799P93.7Very high94.6Very high42 Ų4252.3 Ų52.327%0.27327%0.274SS..SBendcis-66158.1-5.727.2-32.5000113M797 N801 N802 L819 Y926M797-P799 CarbonylContact C-O 3.42Å; M797-P799 WeakPolarHBondContact CB-O 3.04Å; M797-P799 CarbonylContact O-C 3.58Å; M797-P799 VanDerWaalsContact O-C 3.3Å; P799-N801 PolarHBondContact O-N 2.78Å; P799-N801 VanDerWaalsContact O-N 3.11Å; P799-N802 HydrophobicContact CG-CB 4.02Å; P799-N802 WeakPolarHBondContact O-CB 3.4Å; P799-N802 PolarHBondContact O-N 2.92Å; P799-L819 HydrophobicContact CG-CD2 3.77Å; P799-Y926 VanDerWaalsContact CA-OH 3.24Å; P799-Y926 WeakPolarHBondContact CA-OH 3.11Å; P799-Y926 HydrophobicContact CB-CE1 3.82Å; P799-Y926 WeakPolarHBondContact CB-OH 3.34Å
800L92.6Very high94.6Very high15 Ų1552.7 Ų52.78%0.07928%0.277CS..THydrogen-bonded Turntrans-56.7-33.2-175.2-79.2176.3000113.3S761 F762 K796 M797 N802 E922 V923 Y926S761-L800 WeakPolarHBondContact CB-O 3.44Å; S761-L800 PolarHBondContact OG-O 2.7Å; F762-L800 WeakPolarHBondContact CE2-O 3.34Å; K796-L800 HydrophobicContact CG-CD2 3.83Å; M797-L800 VanDerWaalsContact O-CA 3.29Å; M797-L800 WeakPolarHBondContact O-CA 3.46Å; M797-L800 PolarHBondContact O-N 2.89Å; L800-N802 VanDerWaalsContact C-N 3.32Å; L800-E922 HydrophobicContact CD1-CB 3.86Å; L800-V923 HydrophobicContact CD1-CG2 4.18Å; L800-Y926 HydrophobicContact CB-CD2 4.21Å; L800-Y926 HydrophobicContact CB-CE2 3.71Å; L800-Y926 HydrophobicContact CD1-CD2 4.12Å; L800-Y926 HydrophobicContact CD1-CE2 3.77Å; L800-Y926 HydrophobicContact CG-CE2 3.95Å; L800-Y926 PolarHBondContact N-OH 3.06Å
801N94.7Very high94.4Very high13 Ų1353.1 Ų53.17%0.0728%0.277CS..THydrogen-bonded Turntrans-91.512.7-179.569-23.7000114P799 L819 I820 L822 Y926P799-N801 PolarHBondContact O-N 2.78Å; P799-N801 VanDerWaalsContact O-N 3.11Å; N801-L819 WeakPolarHBondContact O-CA 3.23Å; N801-I820 VanDerWaalsContact CB-O 3.31Å; N801-I820 WeakPolarHBondContact CB-O 3.47Å; N801-I820 PolarHBondContact ND2-O 3.25Å; N801-I820 VanDerWaalsContact ND2-O 3.09Å; N801-I820 PolarHBondContact O-N 2.91Å; N801-L822 HydrophobicContact CB-CD2 4.24Å; N801-Y926 HydrophobicContact CB-CD1 4.38Å; N801-Y926 WeakPolarHBondContact OD1-CE1 3.38Å
802N97.2Very high94.3Very high19 Ų1948.8 Ų48.810%0.10226%0.255CS..EExtended strand (participates in β ladder)trans-73.6128.6176.3-16619.2000111.5M797 P799 L800 S817 L819M797-N802 HydrophobicContact CB-CB 4.2Å; P799-N802 HydrophobicContact CG-CB 4.02Å; P799-N802 WeakPolarHBondContact O-CB 3.4Å; P799-N802 PolarHBondContact O-N 2.92Å; L800-N802 VanDerWaalsContact C-N 3.32Å; N802-S817 WeakPolarHBondContact OD1-CB 3.48Å; N802-L819 HydrophobicContact CB-CD2 4.29Å
803L97.7Very high94.5Very high0 Ų050.6 Ų50.60%026%0.263CS..EExtended strand (participates in β ladder)trans-119118.1173.8-176.768.8000109.4F729 F757 N760 V764 V805 S817 C818 I820F729-L803 HydrophobicContact CE1-CD2 4.2Å; F729-L803 HydrophobicContact CZ-CD2 4.03Å; F757-L803 HydrophobicContact CB-CD1 4.17Å; F757-L803 HydrophobicContact CD2-CD1 3.87Å; F757-L803 HydrophobicContact CD2-CD2 3.95Å; F757-L803 HydrophobicContact CD2-CG 4.38Å; F757-L803 HydrophobicContact CE2-CD2 3.84Å; F757-L803 HydrophobicContact CG-CD1 4.12Å; F757-L803 HydrophobicContact CG-CD2 4.4Å; F757-L803 HydrophobicContact CZ-CD2 4.21Å; N760-L803 HydrophobicContact CB-CD1 4.08Å; V764-L803 HydrophobicContact CB-CD1 4.43Å; L803-V805 HydrophobicContact CD2-CG2 3.97Å; L803-V805 HydrophobicContact CG-CG2 3.89Å; L803-S817 CarbonylContact O-C 3.17Å; L803-S817 VanDerWaalsContact O-CA 3.29Å; L803-S817 WeakPolarHBondContact O-CA 3.34Å; L803-C818 PolarHBondContact N-O 3.39Å; L803-C818 PolarHBondContact O-N 3.12Å; L803-I820 HydrophobicContact CB-CD1 3.87Å; L803-I820 HydrophobicContact CB-CG1 3.92Å; L803-I820 HydrophobicContact CD1-CD1 4.34Å; L803-I820 HydrophobicContact CD2-CD1 4.1Å; L803-I820 HydrophobicContact CD2-CG1 4.3Å; L803-I820 HydrophobicContact CG-CD1 4.32Å
804Q98Very high94.7Very high74 Ų7447.9 Ų47.935%0.34624%0.244SC..EExtended strand (participates in β ladder)trans-93130.9173.8-65176.2-13.500109.9N758 M797N758-Q804 HydrophobicContact CB-CB 3.85Å; N758-Q804 PolarHBondContact N-O 2.86Å; N758-Q804 PolarHBondContact ND2-OE1 3.23Å; M797-Q804 HydrophobicContact CE-CG 4.12Å
805V97.9Very high94.9Very high4 Ų449 Ų492%0.02424%0.239CC..EExtended strand (participates in β ladder)trans-129.9133.9-169.7-177.70000109.5M738 I755 F757 L803 V807 Y815 F816M738-V805 HydrophobicContact CE-CG2 4.22Å; I755-V805 HydrophobicContact CD1-CG1 3.82Å; I755-V805 HydrophobicContact CG1-CG1 3.76Å; F757-V805 HydrophobicContact CD1-CB 4.34Å; F757-V805 HydrophobicContact CD1-CG1 3.94Å; F757-V805 HydrophobicContact CD1-CG2 3.88Å; F757-V805 HydrophobicContact CE1-CG1 3.9Å; F757-V805 HydrophobicContact CE1-CG2 4.01Å; L803-V805 HydrophobicContact CD2-CG2 3.97Å; L803-V805 HydrophobicContact CG-CG2 3.89Å; V805-V807 HydrophobicContact CG1-CG2 4.21Å; V805-Y815 WeakPolarHBondContact O-CA 3.29Å; V805-F816 HydrophobicContact CB-CD1 4.39Å; V805-F816 HydrophobicContact CB-CD2 4.22Å; V805-F816 HydrophobicContact CB-CE1 3.99Å; V805-F816 HydrophobicContact CB-CE2 3.81Å; V805-F816 HydrophobicContact CB-CZ 3.69Å; V805-F816 HydrophobicContact CG1-CE1 3.76Å; V805-F816 HydrophobicContact CG1-CE2 4.15Å; V805-F816 HydrophobicContact CG1-CZ 3.53Å; V805-F816 HydrophobicContact CG2-CE2 4.05Å; V805-F816 HydrophobicContact CG2-CZ 4.26Å; V805-F816 PolarHBondContact N-O 3.08Å; V805-F816 PolarHBondContact O-N 3.08Å
806A97.7Very high95Very high18 Ų1845.8 Ų45.815%0.14922%0.222CC..EExtended strand (participates in β ladder)trans-109.9127.3169.300000109.3I755 Q756 V813 F814 Y815I755-A806 CarbonylContact C-O 3.56Å; I755-A806 WeakPolarHBondContact CA-O 3.48Å; Q756-A806 PolarHBondContact N-O 3.07Å; Q756-A806 PolarHBondContact O-N 3.33Å; A806-V813 HydrophobicContact CB-CG1 4.33Å; A806-F814 CarbonylContact C-O 3.59Å; A806-F814 WeakPolarHBondContact CA-O 3.37Å; A806-Y815 HydrophobicContact CB-CD1 3.64Å; A806-Y815 HydrophobicContact CB-CE1 3.56Å
807V96.8Very high95.2Very high0 Ų043.1 Ų43.10%022%0.22CC..EExtended strand (participates in β ladder)trans-117.9122.5172.4170.70000108.4L723 I725 F742 F753 A754 I755 V805 F814 F816L723-V807 HydrophobicContact CD2-CG1 4.34Å; I725-V807 HydrophobicContact CD1-CB 4.21Å; I725-V807 HydrophobicContact CD1-CG1 4.22Å; I725-V807 HydrophobicContact CD1-CG2 3.93Å; F742-V807 HydrophobicContact CE1-CG1 3.99Å; F742-V807 HydrophobicContact CE1-CG2 4.4Å; F753-V807 HydrophobicContact CD1-CG1 4.35Å; A754-V807 CarbonylContact O-C 3.59Å; A754-V807 WeakPolarHBondContact O-CA 3.37Å; I755-V807 HydrophobicContact CB-CG2 4.47Å; I755-V807 HydrophobicContact CD1-CG2 4Å; I755-V807 HydrophobicContact CG1-CG2 3.87Å; V805-V807 HydrophobicContact CG1-CG2 4.21Å; V807-F814 PolarHBondContact N-O 2.89Å; V807-F814 PolarHBondContact O-N 3.44Å; V807-F816 HydrophobicContact CG2-CE1 3.86Å
808K95.3Very high95.4Very high116 Ų11642.7 Ų42.750%0.50422%0.218SC..EExtended strand (participates in β ladder)trans-100.7145.7173.4175.6178.2175-173.70109.9F753 A754 V813F753-K808 CarbonylContact C-O 3.56Å; F753-K808 VanDerWaalsContact CA-O 3.23Å; F753-K808 WeakPolarHBondContact CA-O 3.41Å; A754-K808 HydrophobicContact CB-CB 4.39Å; A754-K808 PolarHBondContact N-O 3.27Å; A754-K808 PolarHBondContact O-N 3.03Å; K808-V813 HydrophobicContact CB-CG1 4.49Å; K808-V813 HydrophobicContact CB-CG2 4.03Å; K808-V813 HydrophobicContact CD-CG2 4.27Å; K808-V813 HydrophobicContact CG-CG2 3.98Å
809N94.5Very high95.6Very high4 Ų440.3 Ų40.32%0.02121%0.209CC..  trans-138.6-169160.36613.4000110.1T751 F753 I811 D812T751-N809 CarbonylContact O-C 3.51Å; T751-N809 WeakPolarHBondContact O-CA 3.33Å; T751-N809 WeakPolarHBondContact O-CB 3.11Å; F753-N809 HydrophobicContact CD1-CB 3.96Å; F753-N809 HydrophobicContact CE1-CB 3.93Å; F753-N809 HydrophobicContact CG-CB 4.37Å; F753-N809 HydrophobicContact CZ-CB 4.32Å; N809-I811 PolarHBondContact O-N 3.3Å; N809-I811 WeakPolarHBondContact OD1-CA 3.31Å; N809-I811 WeakPolarHBondContact OD1-CB 3.4Å; N809-I811 PolarHBondContact OD1-N 3.12Å; N809-D812 PolarHBondContact N-O 3.32Å; N809-D812 PolarHBondContact OD1-N 3.24Å; N809-D812 PolarHBondContact OD1-O 3.09Å
810N94.2Very high95.7Very high55 Ų5538.5 Ų38.529%0.29420%0.197SC..SBendtrans-65.2-13.9175.466.2-36.2000114.9H749 M750 T751H749-N810 PolarHBondContact O-ND2 3.26Å; H749-N810 VanDerWaalsContact O-ND2 3.16Å; M750-N810 VanDerWaalsContact CA-OD1 3.27Å; M750-N810 WeakPolarHBondContact CA-OD1 3.48Å; T751-N810 VanDerWaalsContact N-CG 3.33Å; T751-N810 PolarHBondContact N-OD1 3.07Å; T751-N810 PolarHBondContact O-N 2.91Å; T751-N810 PolarHBondContact O-OD1 3.48Å; T751-N810 WeakPolarHBondContact OG1-CB 3.29Å; T751-N810 PolarHBondContact OG1-ND2 2.83Å
811I91.5Very high95.7Very high45 Ų4539 Ų3923%0.23120%0.201CC..SBendtrans-92.4-52.8179.7-58.4178.2000110.6K721 M750 N809 F814K721-I811 HydrophobicContact CB-CG2 4.36Å; K721-I811 HydrophobicContact CD-CG2 3.86Å; M750-I811 HydrophobicContact CE-CD1 3.74Å; M750-I811 HydrophobicContact CG-CD1 3.73Å; M750-I811 HydrophobicContact CG-CG1 4.48Å; M750-I811 HydrophobicContact SD-CD1 4.44Å; N809-I811 PolarHBondContact O-N 3.3Å; N809-I811 WeakPolarHBondContact OD1-CA 3.31Å; N809-I811 WeakPolarHBondContact OD1-CB 3.4Å; N809-I811 PolarHBondContact OD1-N 3.12Å; I811-F814 HydrophobicContact CG2-CZ 4.47Å
812D92.8Very high95.7Very high69 Ų6938.5 Ų38.537%0.36920%0.199SC..  trans-164.3-177.8-176.7-142.5-29.7000112.3K721 N809 F814K721-D812 IonicContact NZ-OD2 3.9Å; K721-D812 PolarHBondContact NZ-OD2 2.95Å; N809-D812 PolarHBondContact N-O 3.32Å; N809-D812 PolarHBondContact OD1-N 3.24Å; N809-D812 PolarHBondContact OD1-O 3.09Å; D812-F814 HydrophobicContact CB-CE1 3.83Å; D812-F814 HydrophobicContact CB-CE2 4.14Å; D812-F814 HydrophobicContact CB-CZ 3.62Å
813V95.4Very high95.5Very high49 Ų4938 Ų3830%0.29720%0.196SC..EExtended strand (participates in β ladder)trans-103.7125.8164.7-170.10000109.4A806 K808 Y815A806-V813 HydrophobicContact CB-CG1 4.33Å; K808-V813 HydrophobicContact CB-CG1 4.49Å; K808-V813 HydrophobicContact CB-CG2 4.03Å; K808-V813 HydrophobicContact CD-CG2 4.27Å; K808-V813 HydrophobicContact CG-CG2 3.98Å; V813-Y815 HydrophobicContact CB-CE2 4.26Å; V813-Y815 HydrophobicContact CG1-CE1 4.15Å; V813-Y815 HydrophobicContact CG1-CE2 3.89Å; V813-Y815 WeakPolarHBondContact CG1-OH 3.45Å
814F96.3Very high95.3Very high13 Ų1338.1 Ų38.16%0.05720%0.197CC..EExtended strand (participates in β ladder)trans-113.6138.8-179.6-53.5-71.3000110.8L715 A720 K721 L723 A806 V807 I811 D812L715-F814 HydrophobicContact CD2-CB 3.77Å; L715-F814 HydrophobicContact CD2-CG 4.41Å; A720-F814 VanDerWaalsContact C-CE1 3.45Å; A720-F814 VanDerWaalsContact CA-CE1 3.44Å; A720-F814 HydrophobicContact CB-CB 4.26Å; A720-F814 HydrophobicContact CB-CD1 3.49Å; A720-F814 VanDerWaalsContact CB-CD1 3.49Å; A720-F814 HydrophobicContact CB-CD2 4.3Å; A720-F814 HydrophobicContact CB-CE1 3.83Å; A720-F814 HydrophobicContact CB-CG 3.74Å; A720-F814 HydrophobicContact CB-CZ 4.36Å; A720-F814 WeakPolarHBondContact O-CZ 3.06Å; K721-F814 HydrophobicContact CB-CE1 4.29Å; K721-F814 HydrophobicContact CB-CZ 4.19Å; K721-F814 HydrophobicContact CD-CE1 4.29Å; K721-F814 HydrophobicContact CD-CZ 4.39Å; K721-F814 HydrophobicContact CG-CE1 4.22Å; K721-F814 HydrophobicContact CG-CZ 4.48Å; L723-F814 HydrophobicContact CD2-CD2 3.92Å; L723-F814 HydrophobicContact CD2-CE2 4.19Å; A806-F814 CarbonylContact C-O 3.59Å; A806-F814 WeakPolarHBondContact CA-O 3.37Å; V807-F814 PolarHBondContact N-O 2.89Å; V807-F814 PolarHBondContact O-N 3.44Å; I811-F814 HydrophobicContact CG2-CZ 4.47Å; D812-F814 HydrophobicContact CB-CE1 3.83Å; D812-F814 HydrophobicContact CB-CE2 4.14Å; D812-F814 HydrophobicContact CB-CZ 3.62Å
815Y96.7Very high95.2Very high122 Ų12234.7 Ų34.748%0.47818%0.181SC..EExtended strand (participates in β ladder)trans-116.9138.6-178.4-55.4-92.3000110.1Y328 V805 A806 V813Y328-Y815 HydrophobicContact CE2-CE1 4.47Å; Y328-Y815 PolarHBondContact OH-OH 3.47Å; V805-Y815 WeakPolarHBondContact O-CA 3.29Å; A806-Y815 HydrophobicContact CB-CD1 3.64Å; A806-Y815 HydrophobicContact CB-CE1 3.56Å; V813-Y815 HydrophobicContact CB-CE2 4.26Å; V813-Y815 HydrophobicContact CG1-CE1 4.15Å; V813-Y815 HydrophobicContact CG1-CE2 3.89Å; V813-Y815 WeakPolarHBondContact CG1-OH 3.45Å
816F97.2Very high95Very high18 Ų1834.5 Ų34.58%0.07918%0.18CC..EExtended strand (participates in β ladder)trans-148.2164.6171.162.9-88.1000110.6W714 L715 I725 M738 V805 V807W714-F816 HydrophobicContact CB-CD2 3.54Å; W714-F816 HydrophobicContact CB-CE2 3.66Å; W714-F816 HydrophobicContact CB-CG 4.34Å; W714-F816 HydrophobicContact CD2-CE2 4.18Å; W714-F816 AromaticContact CE3-CE2 3.83Å; W714-F816 HydrophobicContact CE3-CE2 3.83Å; W714-F816 HydrophobicContact CE3-CZ 4.31Å; W714-F816 HydrophobicContact CG-CD2 4.35Å; W714-F816 HydrophobicContact CG-CE2 4.18Å; L715-F816 HydrophobicContact CB-CB 4.33Å; L715-F816 HydrophobicContact CB-CD1 4.04Å; L715-F816 HydrophobicContact CB-CG 4.25Å; L715-F816 HydrophobicContact CD1-CB 4.26Å; L715-F816 HydrophobicContact CD2-CD1 4.14Å; I725-F816 HydrophobicContact CD1-CE1 3.81Å; I725-F816 HydrophobicContact CD1-CZ 4.43Å; I725-F816 HydrophobicContact CG2-CZ 4.42Å; M738-F816 HydrophobicContact CE-CE2 4.37Å; M738-F816 HydrophobicContact CE-CZ 4.43Å; V805-F816 HydrophobicContact CB-CD1 4.39Å; V805-F816 HydrophobicContact CB-CD2 4.22Å; V805-F816 HydrophobicContact CB-CE1 3.99Å; V805-F816 HydrophobicContact CB-CE2 3.81Å; V805-F816 HydrophobicContact CB-CZ 3.69Å; V805-F816 HydrophobicContact CG1-CE1 3.76Å; V805-F816 HydrophobicContact CG1-CE2 4.15Å; V805-F816 HydrophobicContact CG1-CZ 3.53Å; V805-F816 HydrophobicContact CG2-CE2 4.05Å; V805-F816 HydrophobicContact CG2-CZ 4.26Å; V805-F816 PolarHBondContact N-O 3.08Å; V805-F816 PolarHBondContact O-N 3.08Å; V807-F816 HydrophobicContact CG2-CE1 3.86Å
817S96.2Very high94.8Very high69 Ų6935.1 Ų35.148%0.48318%0.182SC..EExtended strand (participates in β ladder)trans-116.3148.2169.857.20000110.6N802 L803N802-S817 WeakPolarHBondContact OD1-CB 3.48Å; L803-S817 CarbonylContact O-C 3.17Å; L803-S817 VanDerWaalsContact O-CA 3.29Å; L803-S817 WeakPolarHBondContact O-CA 3.34Å
818C96.2Very high94.5Very high6 Ų640.8 Ų40.84%0.04121%0.208CC..EExtended strand (participates in β ladder)trans-140.9155.3174.959.90000109.9W714 L803W714-C818 HydrophobicContact CB-CB 4.49Å; W714-C818 HydrophobicContact CD2-CB 3.76Å; W714-C818 HydrophobicContact CG-CB 3.74Å; W714-C818 HydrophobicContact CZ2-CB 4.23Å; L803-C818 PolarHBondContact N-O 3.39Å; L803-C818 PolarHBondContact O-N 3.12Å
819L95.6Very high94.3Very high96 Ų9639.6 Ų39.650%0.50321%0.207SC..EExtended strand (participates in β ladder)trans-99.2126.1-179.6-59.1-178000109.8P799 N801 N802 P821P799-L819 HydrophobicContact CG-CD2 3.77Å; N801-L819 WeakPolarHBondContact O-CA 3.23Å; N802-L819 HydrophobicContact CB-CD2 4.29Å; L819-P821 WeakPolarHBondContact O-CD 3.45Å
820I95Very high94.1Very high4 Ų439.4 Ų39.42%0.02121%0.206CC..PPolyproline II helixtrans-79.7123.8176-56.9174.5000108.7F729 V764 N801 L803 L822 V824 L825F729-I820 HydrophobicContact CE1-CG1 4.21Å; F729-I820 HydrophobicContact CE2-CG1 4.28Å; F729-I820 HydrophobicContact CZ-CG1 3.96Å; V764-I820 HydrophobicContact CB-CD1 4.27Å; V764-I820 HydrophobicContact CG1-CD1 4.36Å; V764-I820 HydrophobicContact CG2-CD1 3.85Å; N801-I820 VanDerWaalsContact CB-O 3.31Å; N801-I820 WeakPolarHBondContact CB-O 3.47Å; N801-I820 PolarHBondContact ND2-O 3.25Å; N801-I820 VanDerWaalsContact ND2-O 3.09Å; N801-I820 PolarHBondContact O-N 2.91Å; L803-I820 HydrophobicContact CB-CD1 3.87Å; L803-I820 HydrophobicContact CB-CG1 3.92Å; L803-I820 HydrophobicContact CD1-CD1 4.34Å; L803-I820 HydrophobicContact CD2-CD1 4.1Å; L803-I820 HydrophobicContact CD2-CG1 4.3Å; L803-I820 HydrophobicContact CG-CD1 4.32Å; I820-L822 PolarHBondContact O-N 2.75Å; I820-V824 HydrophobicContact CG2-CG2 3.62Å; I820-L825 HydrophobicContact CG2-CG 4.41Å
821P93.2Very high94.1Very high25 Ų2543.5 Ų43.516%0.16222%0.221CC..PPolyproline II helixtrans-65.8116.1168.2-18.532.6000109.7A709 F729 L819 N823 V824A709-P821 HydrophobicContact CB-CG 3.9Å; F729-P821 HydrophobicContact CD2-CG 4.45Å; L819-P821 WeakPolarHBondContact O-CD 3.45Å; P821-N823 WeakPolarHBondContact CB-OD1 3.42Å; P821-N823 PolarHBondContact O-N 3.35Å; P821-V824 WeakPolarHBondContact O-CG2 3.26Å; P821-V824 PolarHBondContact O-N 3.37Å
822L94.1Very high94.2Very high3 Ų342 Ų422%0.01621%0.213CC..G310 helixtrans-61.1-20.5-172.2-75.6-170.6000114.1F762 N801 I820 V824 L825 F826 V923 Y926 I927 V930F762-L822 HydrophobicContact CD2-CD2 4.36Å; F762-L822 HydrophobicContact CE1-CD2 4.42Å; F762-L822 HydrophobicContact CE2-CD2 3.58Å; F762-L822 HydrophobicContact CZ-CD2 3.61Å; N801-L822 HydrophobicContact CB-CD2 4.24Å; I820-L822 PolarHBondContact O-N 2.75Å; L822-V824 PolarHBondContact O-N 3.32Å; L822-L825 HydrophobicContact CD2-CD1 3.78Å; L822-L825 WeakPolarHBondContact O-CA 3.46Å; L822-L825 WeakPolarHBondContact O-CB 3.46Å; L822-L825 PolarHBondContact O-N 3.03Å; L822-F826 HydrophobicContact CB-CE1 4.11Å; L822-F826 WeakPolarHBondContact O-CD1 3.19Å; L822-F826 WeakPolarHBondContact O-CE1 3.39Å; L822-V923 HydrophobicContact CD1-CG1 4.22Å; L822-Y926 HydrophobicContact CD1-CG 4.22Å; L822-I927 HydrophobicContact CD1-CD1 3.99Å; L822-V930 HydrophobicContact CB-CG2 3.9Å
823N93Very high94.2Very high8 Ų843.5 Ų43.54%0.04322%0.218CC..G310 helixtrans-59.5-25.6175.864.5-63.6000113.2Y707 P821 L825 F826 V930 I934Y707-N823 PolarHBondContact O-ND2 3.34Å; P821-N823 WeakPolarHBondContact CB-OD1 3.42Å; P821-N823 PolarHBondContact O-N 3.35Å; N823-L825 PolarHBondContact O-N 2.89Å; N823-F826 HydrophobicContact CB-CD2 4.41Å; N823-F826 HydrophobicContact CB-CE2 4.23Å; N823-F826 PolarHBondContact O-N 2.93Å; N823-V930 HydrophobicContact CB-CG1 3.69Å; N823-V930 HydrophobicContact CB-CG2 4.31Å; N823-I934 HydrophobicContact CB-CD1 4.39Å
824V94.1Very high93.9Very high3 Ų347.1 Ų47.12%0.01823%0.227CC..G310 helixtrans-72.3-16.3174.7-580000112.9F729 H731 I736 I820 P821 L822F729-V824 HydrophobicContact CB-CG1 4Å; F729-V824 HydrophobicContact CB-CG2 4.15Å; H731-V824 HydrophobicContact CB-CB 4.21Å; H731-V824 HydrophobicContact CB-CG1 4.27Å; I736-V824 WeakPolarHBondContact CG1-O 3.4Å; I736-V824 HydrophobicContact CG2-CB 4.37Å; I736-V824 HydrophobicContact CG2-CG2 4.23Å; I820-V824 HydrophobicContact CG2-CG2 3.62Å; P821-V824 WeakPolarHBondContact O-CG2 3.26Å; P821-V824 PolarHBondContact O-N 3.37Å; L822-V824 PolarHBondContact O-N 3.32Å
825L95.1Very high93.6Very high1 Ų154.3 Ų54.31%0.00526%0.26CS..G310 helixtrans-95.36.9177.8-54.2-175.4000112.7I736 F762 V764 T790 I820 L822 N823 L893 T894I736-L825 HydrophobicContact CD1-CD2 3.72Å; F762-L825 HydrophobicContact CB-CD1 3.82Å; F762-L825 HydrophobicContact CD1-CD1 3.84Å; F762-L825 HydrophobicContact CD2-CD1 3.64Å; F762-L825 HydrophobicContact CE1-CD1 4.32Å; F762-L825 HydrophobicContact CE2-CD1 4.15Å; F762-L825 HydrophobicContact CG-CD1 3.47Å; F762-L825 VanDerWaalsContact CG-CD1 3.47Å; F762-L825 HydrophobicContact CZ-CD1 4.46Å; V764-L825 HydrophobicContact CG2-CD2 4.38Å; T790-L825 HydrophobicContact CG2-CD2 4.25Å; I820-L825 HydrophobicContact CG2-CG 4.41Å; L822-L825 HydrophobicContact CD2-CD1 3.78Å; L822-L825 WeakPolarHBondContact O-CA 3.46Å; L822-L825 WeakPolarHBondContact O-CB 3.46Å; L822-L825 PolarHBondContact O-N 3.03Å; N823-L825 PolarHBondContact O-N 2.89Å; L825-L893 CarbonylContact O-C 3.3Å; L825-L893 WeakPolarHBondContact O-CA 3.49Å; L825-T894 HydrophobicContact CB-CG2 4.45Å; L825-T894 PolarHBondContact O-N 3.12Å; L825-T894 VanDerWaalsContact O-N 3.08Å
826F94.9Very high93.4Very high1 Ų151 Ų510%0.00425%0.253CS..BIsolated β-bridgetrans-83.8124.9179.7-64.42.1000110L822 N823 N871 N872 V873 L891 K892 L893 I927 V930L822-F826 HydrophobicContact CB-CE1 4.11Å; L822-F826 WeakPolarHBondContact O-CD1 3.19Å; L822-F826 WeakPolarHBondContact O-CE1 3.39Å; N823-F826 HydrophobicContact CB-CD2 4.41Å; N823-F826 HydrophobicContact CB-CE2 4.23Å; N823-F826 PolarHBondContact O-N 2.93Å; F826-N871 VanDerWaalsContact CD2-O 3.25Å; F826-N871 WeakPolarHBondContact CD2-O 3.5Å; F826-N872 HydrophobicContact CB-CB 3.9Å; F826-N872 PolarHBondContact O-ND2 3.4Å; F826-V873 HydrophobicContact CD2-CG2 3.68Å; F826-V873 HydrophobicContact CE2-CG2 3.57Å; F826-L891 HydrophobicContact CD1-CD1 4.18Å; F826-L891 HydrophobicContact CD2-CD2 4.42Å; F826-L891 HydrophobicContact CE1-CD1 4Å; F826-L891 HydrophobicContact CE2-CD1 4.44Å; F826-L891 HydrophobicContact CE2-CD2 3.89Å; F826-L891 HydrophobicContact CG-CD1 4.48Å; F826-L891 HydrophobicContact CZ-CD1 4.15Å; F826-L891 HydrophobicContact CZ-CD2 4.03Å; F826-K892 WeakPolarHBondContact CA-O 3.5Å; F826-L893 HydrophobicContact CD1-CD2 3.41Å; F826-L893 VanDerWaalsContact CD1-CD2 3.41Å; F826-L893 HydrophobicContact CE1-CD2 3.54Å; F826-I927 HydrophobicContact CE1-CD1 3.59Å; F826-I927 HydrophobicContact CZ-CD1 3.66Å; F826-V930 HydrophobicContact CE2-CG1 3.81Å; F826-V930 HydrophobicContact CZ-CB 4.36Å; F826-V930 HydrophobicContact CZ-CG1 3.77Å; F826-V930 HydrophobicContact CZ-CG2 4.44Å
827V92.6Very high93.3Very high31 Ų3150.4 Ų50.419%0.18825%0.25CS..  trans-89.8151.2-176.9-650000112.4D829 G830 K892 T894V827-D829 WeakPolarHBondContact CB-OD1 3.49Å; V827-D829 WeakPolarHBondContact CG2-OD1 3.23Å; V827-D829 PolarHBondContact O-N 3.26Å; V827-G830 PolarHBondContact O-N 3.04Å; V827-G830 VanDerWaalsContact O-N 3.17Å; V827-K892 HydrophobicContact CG2-CB 3.63Å; V827-K892 HydrophobicContact CG2-CD 3.7Å; V827-K892 HydrophobicContact CG2-CG 3.64Å; V827-K892 WeakPolarHBondContact CG2-O 3.36Å; V827-K892 PolarHBondContact N-O 2.79Å; V827-T894 HydrophobicContact CG1-CG2 3.85Å
828E90.1Very high93Very high119 Ų11951.3 Ų51.356%0.55625%0.249SC*.THydrogen-bonded Turntrans-66.6-22.9-176.5-61.4-177.9171.400113.5G830 Y874E828-G830 PolarHBondContact O-N 3.26Å; E828-Y874 WeakPolarHBondContact CA-OH 3.33Å; E828-Y874 PolarHBondContact O-OH 3.3Å
829D91.7Very high92.9Very high90 Ų9053.9 Ų53.948%0.48127%0.27SS..THydrogen-bonded Turntrans-86.721.5175.374-32.7000113V827 K831 K892 W898V827-D829 WeakPolarHBondContact CB-OD1 3.49Å; V827-D829 WeakPolarHBondContact CG2-OD1 3.23Å; V827-D829 PolarHBondContact O-N 3.26Å; D829-K831 PolarHBondContact O-N 3.27Å; D829-K892 IonicContact OD1-NZ 3.9Å; D829-K892 IonicContact OD2-NZ 3.53Å; D829-K892 PolarHBondContact OD2-NZ 3.4Å; D829-W898 WeakPolarHBondContact O-CH2 3.44Å
830G90.6Very high92.7Very high0 Ų050.8 Ų50.80%026%0.256CS..  trans-74.45.9178.400000115.9V827 E828 S890 W898V827-G830 PolarHBondContact O-N 3.04Å; V827-G830 VanDerWaalsContact O-N 3.17Å; E828-G830 PolarHBondContact O-N 3.26Å; G830-S890 CarbonylContact O-C 3.56Å; G830-S890 PolarHBondContact O-OG 3.42Å; G830-W898 WeakPolarHBondContact O-CZ3 3.36Å
831K94.3Very high92.6Very high141 Ų14152.5 Ų52.561%0.61326%0.262SS*.  trans-89.1114.3179.3-172175.1-178.7177.90111.1D829 Y874 I876D829-K831 PolarHBondContact O-N 3.27Å; K831-Y874 HydrophobicContact CB-CD1 4.1Å; K831-Y874 HydrophobicContact CB-CD2 3.82Å; K831-Y874 HydrophobicContact CB-CE2 4.38Å; K831-Y874 HydrophobicContact CB-CG 3.65Å; K831-Y874 HydrophobicContact CD-CD1 4.35Å; K831-Y874 HydrophobicContact CD-CG 4.48Å; K831-Y874 HydrophobicContact CG-CD1 4.45Å; K831-Y874 HydrophobicContact CG-CG 4.09Å; K831-I876 HydrophobicContact CG-CD1 3.94Å
832M92.7Very high92.6Very high14 Ų1459.7 Ų59.77%0.06929%0.291CS..  trans-89.6144.6177.1-164.6173.8-72.900111.6V836 F837 I876 S890 W898 L900M832-V836 HydrophobicContact CG-CB 3.79Å; M832-V836 HydrophobicContact CG-CG1 3.72Å; M832-V836 HydrophobicContact SD-CB 4.24Å; M832-V836 HydrophobicContact SD-CG1 3.78Å; M832-F837 HydrophobicContact CG-CB 4.26Å; M832-F837 WeakPolarHBondContact SD-CA 3.07Å; M832-F837 HydrophobicContact SD-CB 3.97Å; M832-F837 HydrophobicContact SD-CD2 4.34Å; M832-F837 PolarHBondContact SD-N 3.34Å; M832-F837 VanDerWaalsContact SD-N 3.4Å; M832-I876 WeakPolarHBondContact O-CD1 3.42Å; M832-S890 PolarHBondContact N-OG 3.19Å; M832-W898 HydrophobicContact CB-CH2 4.48Å; M832-W898 HydrophobicContact CB-CZ3 4Å; M832-W898 HydrophobicContact CE-CB 4.34Å; M832-W898 HydrophobicContact CE-CD2 3.6Å; M832-W898 HydrophobicContact CE-CE3 3.35Å; M832-W898 HydrophobicContact CE-CG 4.06Å; M832-W898 HydrophobicContact CE-CH2 4.42Å; M832-W898 HydrophobicContact CE-CZ3 3.79Å; M832-L900 HydrophobicContact SD-CD2 4.49Å
833E92.2Very high92.5Very high101 Ų10164 Ų6447%0.47231%0.314SS..  trans-69.1147.4170.1-67.1-169.4162.800111.1Q835 V836 F837E833-Q835 VanDerWaalsContact C-N 3.3Å; E833-Q835 PolarHBondContact O-N 3.48Å; E833-V836 HydrophobicContact CB-CB 4.4Å; E833-V836 HydrophobicContact CB-CG2 4.05Å; E833-V836 PolarHBondContact O-N 3.4Å; E833-F837 PolarHBondContact O-N 3.01Å
834R90Very high92.5Very high125 Ų12563.8 Ų63.847%0.47231%0.313SS..Hα-helixtrans-57.4-38.1-175.2-174.5175.4-179.21582.9114.3L838 I876R834-L838 WeakPolarHBondContact O-CG 3.31Å; R834-L838 PolarHBondContact O-N 3.43Å; R834-I876 HydrophobicContact CB-CG2 3.97Å; R834-I876 HydrophobicContact CG-CG2 4.38Å
835Q90.2Very high92.3Very high163 Ų16366.5 Ų66.576%0.76233%0.33SS*.Hα-helixtrans-69.7-41.2178-68.7-179.9-1.700111.3E833 L838 A839E833-Q835 VanDerWaalsContact C-N 3.3Å; E833-Q835 PolarHBondContact O-N 3.48Å; Q835-L838 PolarHBondContact O-N 3.27Å; Q835-A839 WeakPolarHBondContact O-CB 3.5Å; Q835-A839 PolarHBondContact O-N 2.86Å
836V92.2Very high92.1Very high53 Ų5372.4 Ų72.432%0.32136%0.362SS..Hα-helixtrans-64.8-44.7176.2-176.30000109.9M832 E833 L838 A839 T840M832-V836 HydrophobicContact CG-CB 3.79Å; M832-V836 HydrophobicContact CG-CG1 3.72Å; M832-V836 HydrophobicContact SD-CB 4.24Å; M832-V836 HydrophobicContact SD-CG1 3.78Å; E833-V836 HydrophobicContact CB-CB 4.4Å; E833-V836 HydrophobicContact CB-CG2 4.05Å; E833-V836 PolarHBondContact O-N 3.4Å; V836-L838 VanDerWaalsContact C-N 3.34Å; V836-L838 PolarHBondContact O-N 3.38Å; V836-A839 PolarHBondContact O-N 3.13Å; V836-A839 VanDerWaalsContact O-N 3.12Å; V836-T840 WeakPolarHBondContact O-CB 3.37Å; V836-T840 PolarHBondContact O-N 2.78Å; V836-T840 PolarHBondContact O-OG1 3.37Å
837F95.2Very high91.9Very high6 Ų680 Ų803%0.02640%0.397CS..Hα-helixtrans-54.2-49175.5-176.1-85000112.3M832 E833 A839 W841 I876 Y888 Q889 L900M832-F837 HydrophobicContact CG-CB 4.26Å; M832-F837 WeakPolarHBondContact SD-CA 3.07Å; M832-F837 HydrophobicContact SD-CB 3.97Å; M832-F837 HydrophobicContact SD-CD2 4.34Å; M832-F837 PolarHBondContact SD-N 3.34Å; M832-F837 VanDerWaalsContact SD-N 3.4Å; E833-F837 PolarHBondContact O-N 3.01Å; F837-A839 VanDerWaalsContact C-N 3.35Å; F837-A839 PolarHBondContact O-N 3.47Å; F837-W841 HydrophobicContact CE1-CD2 4.45Å; F837-W841 AromaticContact CE1-CE3 3.99Å; F837-W841 HydrophobicContact CE1-CE3 3.99Å; F837-W841 HydrophobicContact CE2-CE3 4.49Å; F837-W841 AromaticContact CZ-CE3 3.67Å; F837-W841 HydrophobicContact CZ-CE3 3.67Å; F837-W841 HydrophobicContact CZ-CZ3 4.09Å; F837-W841 WeakPolarHBondContact O-CB 3.47Å; F837-W841 PolarHBondContact O-N 3.43Å; F837-I876 HydrophobicContact CB-CG2 4.18Å; F837-I876 HydrophobicContact CD2-CG1 4.15Å; F837-I876 HydrophobicContact CG-CG2 4.42Å; F837-Y888 AromaticContact CE1-CD1 3.76Å; F837-Y888 HydrophobicContact CE1-CD1 3.76Å; F837-Y888 HydrophobicContact CE1-CG 4.21Å; F837-Y888 HydrophobicContact CZ-CD1 4.14Å; F837-Q889 VanDerWaalsContact CE2-O 3.28Å; F837-Q889 WeakPolarHBondContact CE2-O 3.35Å; F837-L900 HydrophobicContact CD2-CD2 3.74Å; F837-L900 HydrophobicContact CD2-CG 4.07Å; F837-L900 HydrophobicContact CE2-CB 3.73Å; F837-L900 HydrophobicContact CE2-CD2 3.7Å; F837-L900 HydrophobicContact CE2-CG 3.78Å; F837-L900 HydrophobicContact CG-CD2 4.24Å; F837-L900 HydrophobicContact CZ-CB 4.14Å; F837-L900 HydrophobicContact CZ-CD2 4.16Å; F837-L900 HydrophobicContact CZ-CG 4.5Å
838L90.4Very high91.9Very high88 Ų8880 Ų8046%0.46140%0.396SS..Hα-helixtrans-66-36.7179-72.2169.9000112.8R834 Q835 V836 K842R834-L838 WeakPolarHBondContact O-CG 3.31Å; R834-L838 PolarHBondContact O-N 3.43Å; Q835-L838 PolarHBondContact O-N 3.27Å; V836-L838 VanDerWaalsContact C-N 3.34Å; V836-L838 PolarHBondContact O-N 3.38Å; L838-K842 WeakPolarHBondContact O-CG 3.34Å; L838-K842 PolarHBondContact O-N 2.86Å
839A92.8Very high92.1Very high59 Ų5976.6 Ų76.649%0.48838%0.381SS..Hα-helixtrans-67.3-51.3176.300000110.8Q835 V836 F837 W841 K842 D843Q835-A839 WeakPolarHBondContact O-CB 3.5Å; Q835-A839 PolarHBondContact O-N 2.86Å; V836-A839 PolarHBondContact O-N 3.13Å; V836-A839 VanDerWaalsContact O-N 3.12Å; F837-A839 VanDerWaalsContact C-N 3.35Å; F837-A839 PolarHBondContact O-N 3.47Å; A839-W841 VanDerWaalsContact C-N 3.35Å; A839-W841 PolarHBondContact O-N 3.39Å; A839-K842 PolarHBondContact O-N 3.45Å; A839-D843 WeakPolarHBondContact O-CB 3.45Å; A839-D843 PolarHBondContact O-N 3.21Å
840T92.4Very high92.3Very high32 Ų3275.5 Ų75.520%0.19637%0.374CS..Hα-helixtrans-63.6-37.4179.2-53.10000112.2V836 K842 D843 I844 L900V836-T840 WeakPolarHBondContact O-CB 3.37Å; V836-T840 PolarHBondContact O-N 2.78Å; V836-T840 PolarHBondContact O-OG1 3.37Å; T840-K842 VanDerWaalsContact C-N 3.31Å; T840-K842 PolarHBondContact O-N 3.5Å; T840-D843 PolarHBondContact O-N 2.78Å; T840-I844 HydrophobicContact CG2-CD1 3.99Å; T840-I844 HydrophobicContact CG2-CG1 4.42Å; T840-I844 WeakPolarHBondContact O-CG1 3.23Å; T840-I844 PolarHBondContact O-N 2.94Å; T840-L900 HydrophobicContact CG2-CD1 3.86Å; T840-L900 HydrophobicContact CG2-CD2 4.08Å
841W93.4Very high92.6Very high40 Ų4081.7 Ų81.715%0.15240%0.403CS..Hα-helixtrans-62.2-37.4175.8-173.6-82.9000113.1F837 A839 L900 E902 K917F837-W841 HydrophobicContact CE1-CD2 4.45Å; F837-W841 AromaticContact CE1-CE3 3.99Å; F837-W841 HydrophobicContact CE1-CE3 3.99Å; F837-W841 HydrophobicContact CE2-CE3 4.49Å; F837-W841 AromaticContact CZ-CE3 3.67Å; F837-W841 HydrophobicContact CZ-CE3 3.67Å; F837-W841 HydrophobicContact CZ-CZ3 4.09Å; F837-W841 WeakPolarHBondContact O-CB 3.47Å; F837-W841 PolarHBondContact O-N 3.43Å; A839-W841 VanDerWaalsContact C-N 3.35Å; A839-W841 PolarHBondContact O-N 3.39Å; W841-L900 HydrophobicContact CB-CD2 4.05Å; W841-L900 HydrophobicContact CE3-CB 3.64Å; W841-L900 HydrophobicContact CE3-CD2 4.01Å; W841-L900 HydrophobicContact CE3-CG 4.5Å; W841-L900 HydrophobicContact CZ3-CB 3.79Å; W841-E902 HydrophobicContact CH2-CB 3.76Å; W841-E902 HydrophobicContact CZ2-CB 4.29Å; W841-E902 HydrophobicContact CZ3-CB 4.44Å; W841-K917 HydrophobicContact CD2-CD 3.94Å; W841-K917 HydrophobicContact CE3-CB 4.39Å; W841-K917 HydrophobicContact CE3-CD 4.28Å; W841-K917 HydrophobicContact CG-CD 4.36Å; W841-K917 HydrophobicContact CH2-CD 4.4Å; W841-K917 HydrophobicContact CH2-CG 4.15Å; W841-K917 HydrophobicContact CZ2-CD 4.07Å; W841-K917 HydrophobicContact CZ2-CG 4.22Å; W841-K917 HydrophobicContact CZ3-CB 4.22Å; W841-K917 HydrophobicContact CZ3-CD 4.5Å; W841-K917 HydrophobicContact CZ3-CG 4.3Å; W841-K917 PolarHBondContact O-NZ 2.91Å
842K91.7Very high92.7Very high176 Ų17676.9 Ų76.977%0.76538%0.382SS*.Hα-helixtrans-77.8-32.3177-72.9179.3178.8-173.90112.7L838 A839 T840L838-K842 WeakPolarHBondContact O-CG 3.34Å; L838-K842 PolarHBondContact O-N 2.86Å; A839-K842 PolarHBondContact O-N 3.45Å; T840-K842 VanDerWaalsContact C-N 3.31Å; T840-K842 PolarHBondContact O-N 3.5Å
843D93.4Very high92.8Very high94 Ų9481.2 Ų81.250%0.50340%0.402SS..Hα-helixtrans-72.5-35.2-179.6178.575000112.6A839 T840 P845 R919A839-D843 WeakPolarHBondContact O-CB 3.45Å; A839-D843 PolarHBondContact O-N 3.21Å; T840-D843 PolarHBondContact O-N 2.78Å; D843-P845 WeakPolarHBondContact O-CD 3.4Å; D843-R919 IonicContact OD2-CZ 2.77Å; D843-R919 IonicContact OD2-NE 3.31Å; D843-R919 IonicContact OD2-NH2 2.86Å; D843-R919 PolarHBondContact OD2-NH2 3.35Å
844I92Very high92.8Very high3 Ų376.4 Ų76.42%0.01538%0.38CS..SBendtrans-72.2122.2175.6-63.8168.6000109.8T840 N848 L900 K917 R919T840-I844 HydrophobicContact CG2-CD1 3.99Å; T840-I844 HydrophobicContact CG2-CG1 4.42Å; T840-I844 WeakPolarHBondContact O-CG1 3.23Å; T840-I844 PolarHBondContact O-N 2.94Å; I844-N848 HydrophobicContact CG2-CB 3.9Å; I844-L900 HydrophobicContact CD1-CD1 3.88Å; I844-K917 HydrophobicContact CB-CD 4.3Å; I844-K917 HydrophobicContact CD1-CB 4.34Å; I844-K917 HydrophobicContact CG2-CB 4.2Å; I844-K917 HydrophobicContact CG2-CD 4.28Å; I844-K917 HydrophobicContact CG2-CG 4.5Å; I844-K917 PolarHBondContact O-NZ 3.39Å; I844-R919 HydrophobicContact CD1-CG 4.35Å; I844-R919 HydrophobicContact CG1-CG 4.01Å
845P91.1Very high92.9Very high60 Ų6076 Ų7639%0.3938%0.382SS..  trans-51.2142177.6-29.737.1000112.9D843 E847 N848D843-P845 WeakPolarHBondContact O-CD 3.4Å; P845-E847 HydrophobicContact CB-CG 3.7Å; P845-E847 PolarHBondContact O-N 3.41Å; P845-N848 WeakPolarHBondContact O-CB 3.49Å; P845-N848 PolarHBondContact O-N 3.07Å
846N90.1Very high92.7Very high124 Ų12475.7 Ų75.766%0.66338%0.38SS*.G310 helixtrans-65.5-22.8-179.5-68.7-21.1000113N848 E849 K917N846-N848 PolarHBondContact O-N 3.26Å; N846-E849 VanDerWaalsContact O-CB 3.29Å; N846-E849 WeakPolarHBondContact O-CB 3.37Å; N846-E849 PolarHBondContact O-N 2.9Å; N846-E849 VanDerWaalsContact O-N 3.07Å; N846-K917 PolarHBondContact OD1-NZ 3.16Å
847E91Very high92.5Very high160 Ų16073.3 Ų73.375%0.74837%0.366SS*.G310 helixtrans-62.8-22.8171.962.6-168.4171.900113.3P845 E849P845-E847 HydrophobicContact CB-CG 3.7Å; P845-E847 PolarHBondContact O-N 3.41Å; E847-E849 VanDerWaalsContact C-N 3.32Å
848N92.6Very high92.1Very high31 Ų3180.6 Ų80.617%0.16640%0.399CS..G310 helixtrans-90.95.5175.4-68.3-9.1000112.9I844 P845 N846 C918 P921I844-N848 HydrophobicContact CG2-CB 3.9Å; P845-N848 WeakPolarHBondContact O-CB 3.49Å; P845-N848 PolarHBondContact O-N 3.07Å; N846-N848 PolarHBondContact O-N 3.26Å; N848-C918 WeakPolarHBondContact CB-O 3.49Å; N848-P921 HydrophobicContact CB-CB 4.38Å
849E94.7Very high92Very high49 Ų4978.1 Ų78.123%0.22939%0.386CS..EExtended strand (participates in β ladder)trans-86.6117.4172.1-168.6176.4154.400110.2N846 E847 S915 L916 K917N846-E849 VanDerWaalsContact O-CB 3.29Å; N846-E849 WeakPolarHBondContact O-CB 3.37Å; N846-E849 PolarHBondContact O-N 2.9Å; N846-E849 VanDerWaalsContact O-N 3.07Å; E847-E849 VanDerWaalsContact C-N 3.32Å; E849-S915 WeakPolarHBondContact OE1-CB 3.19Å; E849-L916 CarbonylContact C-O 3.5Å; E849-L916 WeakPolarHBondContact CA-O 3.44Å; E849-K917 HydrophobicContact CB-CD 4.4Å; E849-K917 HydrophobicContact CB-CG 3.76Å; E849-K917 HydrophobicContact CG-CG 3.79Å; E849-K917 WeakPolarHBondContact OE2-CE 3.41Å; E849-K917 IonicContact OE2-NZ 3.01Å
850L95.6Very high91.8Very high66 Ų6679.7 Ų79.735%0.34639%0.387SS..EExtended strand (participates in β ladder)trans-111.2129.5175-63-177.2000110.2F852 L916L850-F852 HydrophobicContact CB-CE2 3.57Å; L850-F852 HydrophobicContact CB-CZ 3.81Å; L850-F852 HydrophobicContact CD1-CZ 4.25Å; L850-L916 PolarHBondContact N-O 3.43Å; L850-L916 PolarHBondContact O-N 3.02Å
851Q96.2Very high91.7Very high130 Ų13078.2 Ų78.261%0.60738%0.378SS*.EExtended strand (participates in β ladder)trans-103.9135.7178.7-63.8-169.27.200111.4L914 S915Q851-L914 CarbonylContact C-O 3.35Å; Q851-L914 WeakPolarHBondContact CA-O 3.48Å; Q851-S915 WeakPolarHBondContact CG-OG 3.26Å
852F96.9Very high91.5Very high40 Ų4081 Ų8118%0.17540%0.396CS..EExtended strand (participates in β ladder)trans-131.2156.3-179.7-56.8-85.1000110.9L850 L914 L916 Y928L850-F852 HydrophobicContact CB-CE2 3.57Å; L850-F852 HydrophobicContact CB-CZ 3.81Å; L850-F852 HydrophobicContact CD1-CZ 4.25Å; F852-L914 PolarHBondContact N-O 3.04Å; F852-L914 PolarHBondContact O-N 3.46Å; F852-L916 HydrophobicContact CD2-CD1 4.11Å; F852-L916 HydrophobicContact CE2-CD1 3.95Å; F852-Y928 HydrophobicContact CB-CD1 4.48Å; F852-Y928 HydrophobicContact CB-CD2 3.32Å; F852-Y928 HydrophobicContact CB-CE2 3.72Å; F852-Y928 HydrophobicContact CB-CG 3.75Å; F852-Y928 AromaticContact CD1-CD1 3.74Å; F852-Y928 HydrophobicContact CD1-CD1 3.74Å; F852-Y928 HydrophobicContact CD1-CD2 4.12Å; F852-Y928 HydrophobicContact CD1-CE1 4.27Å; F852-Y928 AromaticContact CD1-CG 3.64Å; F852-Y928 HydrophobicContact CD1-CG 3.64Å; F852-Y928 HydrophobicContact CD2-CD2 4.43Å; F852-Y928 HydrophobicContact CD2-CG 4.13Å; F852-Y928 HydrophobicContact CE1-CD1 4.19Å; F852-Y928 HydrophobicContact CE1-CG 4.26Å; F852-Y928 HydrophobicContact CG-CD1 4.16Å; F852-Y928 AromaticContact CG-CD2 3.72Å; F852-Y928 HydrophobicContact CG-CD2 3.72Å; F852-Y928 HydrophobicContact CG-CE2 4.4Å; F852-Y928 AromaticContact CG-CG 3.57Å; F852-Y928 HydrophobicContact CG-CG 3.57Å
853Q94.8Very high91.4Very high106 Ų10675.3 Ų75.350%0.49538%0.376SS..EExtended strand (participates in β ladder)trans-111.8122.5173.1-73.7-170.9-3.800110.7Y912 Y928Q853-Y912 WeakPolarHBondContact CA-O 3.4Å; Q853-Y928 PolarHBondContact O-OH 3.31Å
854I93.2Very high91.4Very high0 Ų070.9 Ų70.90%035%0.352CS..EExtended strand (participates in β ladder)trans-94.7111.7171.1-58.4174.9000106.7C857 L903 N911 Y912 L914 Y928 Y931 L935I854-C857 HydrophobicContact CG2-CB 4.44Å; I854-L903 HydrophobicContact CD1-CD1 4.35Å; I854-N911 CarbonylContact O-C 3.6Å; I854-N911 WeakPolarHBondContact O-CA 3.36Å; I854-Y912 PolarHBondContact N-O 3.02Å; I854-Y912 PolarHBondContact O-N 3.27Å; I854-L914 HydrophobicContact CD1-CB 4.3Å; I854-L914 HydrophobicContact CD1-CD2 4.26Å; I854-Y928 HydrophobicContact CG1-CD2 4.34Å; I854-Y928 HydrophobicContact CG1-CE2 4.04Å; I854-Y931 HydrophobicContact CD1-CD1 4.46Å; I854-L935 HydrophobicContact CD1-CD1 3.86Å
855K91.1Very high91.5Very high117 Ų11771.5 Ų71.551%0.50936%0.357SS..  trans-93.8155-174.9-61.4-179-179.6177.60111.6C857 N911 K936K855-C857 PolarHBondContact O-N 3.32Å; K855-N911 WeakPolarHBondContact CA-OD1 3.44Å; K855-K936 WeakPolarHBondContact O-CE 3.36Å
856E86.9Confident91.5Very high155 Ų15571.7 Ų71.772%0.72436%0.359SS*.SBendtrans61.336.4172.1-58.3179.4171.400114.6P910E856-P910 PolarHBondContact N-O 3.37Å
857C87.1Confident91.6Very high3 Ų368.2 Ų68.22%0.0234%0.338CS..  trans-104.9125.2176.3-165.60000111.2I854 K855 P910 Y912I854-C857 HydrophobicContact CG2-CB 4.44Å; K855-C857 PolarHBondContact O-N 3.32Å; C857-P910 PolarHBondContact N-O 3.25Å; C857-P910 CarbonylContact O-C 3.56Å; C857-P910 WeakPolarHBondContact O-CA 3.04Å; C857-Y912 HydrophobicContact CB-CD2 3.97Å; C857-Y912 HydrophobicContact CB-CE1 4.3Å; C857-Y912 HydrophobicContact CB-CE2 3.59Å; C857-Y912 WeakPolarHBondContact O-CE1 3.27Å; C857-Y912 PolarHBondContact O-OH 3.17Å; C857-Y912 VanDerWaalsContact O-OH 3.06Å; C857-Y912 WeakPolarHBondContact SG-CE2 3.26Å
858H86.4Confident91.8Very high159 Ų15960.6 Ų60.674%0.73630%0.303SS*.  trans-116.139.4-177.8-65.7-82000112.5
859L89.1Confident91.8Very high36 Ų3664.2 Ų64.219%0.18832%0.319CS..  trans-104.9133-177.5-59.5178.8000111.9T863 V864 K867 Y912 L935L859-T863 HydrophobicContact CD2-CG2 3.97Å; L859-V864 HydrophobicContact CB-CG2 3.63Å; L859-V864 HydrophobicContact CD1-CG2 4.32Å; L859-K867 HydrophobicContact CD1-CD 3.89Å; L859-Y912 PolarHBondContact N-OH 3.38Å; L859-Y912 PolarHBondContact O-OH 2.87Å; L859-L935 HydrophobicContact CD1-CD2 4.42Å; L859-L935 WeakPolarHBondContact CD1-O 3.43Å
860N88.4Confident91.6Very high93 Ų9365 Ų6550%0.49732%0.324SS..  trans-68.3162.7170.970.345000111.3D862 T863 V864N860-D862 PolarHBondContact O-N 3.06Å; N860-D862 PolarHBondContact OD1-N 3.49Å; N860-D862 VanDerWaalsContact OD1-N 3.12Å; N860-T863 PolarHBondContact O-N 3.29Å; N860-T863 PolarHBondContact OD1-N 2.99Å; N860-T863 PolarHBondContact OD1-OG1 3.43Å; N860-V864 WeakPolarHBondContact O-CG2 3.46Å; N860-V864 PolarHBondContact O-N 3.49Å
861A88.9Confident91.4Very high1 Ų162.4 Ų62.41%0.00831%0.311CS..Hα-helixtrans-57.9-33.3-175.800000114S865 D885 L887 I905A861-S865 WeakPolarHBondContact O-CB 3.46Å; A861-S865 PolarHBondContact O-N 3.03Å; A861-S865 PolarHBondContact O-OG 3.16Å; A861-D885 HydrophobicContact CB-CB 3.82Å; A861-D885 WeakPolarHBondContact CB-OD2 3.32Å; A861-L887 HydrophobicContact CB-CD1 4.24Å; A861-L887 HydrophobicContact CB-CD2 4.28Å; A861-L887 HydrophobicContact CB-CG 4.47Å; A861-I905 HydrophobicContact CB-CD1 4.1Å
862D89.8Confident91.4Very high99 Ų9957.1 Ų57.153%0.52929%0.287SS..Hα-helixtrans-73.8-39.3-179.3-60.4-41.1000111.6N860 S865 S866 K878N860-D862 PolarHBondContact O-N 3.06Å; N860-D862 PolarHBondContact OD1-N 3.49Å; N860-D862 VanDerWaalsContact OD1-N 3.12Å; D862-S865 PolarHBondContact O-N 3.26Å; D862-S866 WeakPolarHBondContact O-CB 3.09Å; D862-S866 PolarHBondContact O-N 3.11Å; D862-K878 VanDerWaalsContact CG-NZ 3.29Å; D862-K878 IonicContact OD1-NZ 2.67Å; D862-K878 PolarHBondContact OD1-NZ 2.96Å; D862-K878 IonicContact OD2-NZ 2.69Å; D862-K878 PolarHBondContact OD2-NZ 3.25Å
863T90.5Very high91.3Very high56 Ų5655.2 Ų55.234%0.34428%0.279SS..Hα-helixtrans-64.9-41.3172.9-52.30000111.3L859 N860 S866 K867L859-T863 HydrophobicContact CD2-CG2 3.97Å; N860-T863 PolarHBondContact O-N 3.29Å; N860-T863 PolarHBondContact OD1-N 2.99Å; N860-T863 PolarHBondContact OD1-OG1 3.43Å; T863-S866 PolarHBondContact O-N 3.45Å; T863-K867 PolarHBondContact O-N 3.07Å
864V92.9Very high91.4Very high0 Ų051.6 Ų51.60%026%0.261CS..Hα-helixtrans-59.4-50.9174.4167.90000111L859 N860 S866 K867 L868 L887 L903 I905 Y912 L935L859-V864 HydrophobicContact CB-CG2 3.63Å; L859-V864 HydrophobicContact CD1-CG2 4.32Å; N860-V864 WeakPolarHBondContact O-CG2 3.46Å; N860-V864 PolarHBondContact O-N 3.49Å; V864-S866 VanDerWaalsContact C-N 3.3Å; V864-S866 PolarHBondContact O-N 2.91Å; V864-K867 PolarHBondContact O-N 3.01Å; V864-L868 HydrophobicContact CG1-CD1 3.69Å; V864-L868 WeakPolarHBondContact O-CB 3.5Å; V864-L868 WeakPolarHBondContact O-CG 3.2Å; V864-L868 PolarHBondContact O-N 3.42Å; V864-L887 HydrophobicContact CB-CD1 4.25Å; V864-L887 HydrophobicContact CG1-CD1 3.8Å; V864-L903 HydrophobicContact CG1-CD2 3.5Å; V864-I905 HydrophobicContact CB-CD1 4.06Å; V864-I905 HydrophobicContact CG1-CD1 4.09Å; V864-I905 HydrophobicContact CG2-CD1 3.84Å; V864-Y912 HydrophobicContact CG2-CE2 4.02Å; V864-L935 HydrophobicContact CB-CD2 4.35Å; V864-L935 HydrophobicContact CG1-CD1 4.41Å; V864-L935 HydrophobicContact CG1-CD2 3.92Å; V864-L935 HydrophobicContact CG2-CD2 4.18Å
865S93.3Very high91.6Very high16 Ų1653.3 Ų53.311%0.11227%0.271CS..Hα-helixtrans-57.9-41.5176.9-77.10000112.3A861 D862 Q869 T875A861-S865 WeakPolarHBondContact O-CB 3.46Å; A861-S865 PolarHBondContact O-N 3.03Å; A861-S865 PolarHBondContact O-OG 3.16Å; D862-S865 PolarHBondContact O-N 3.26Å; S865-Q869 WeakPolarHBondContact O-CB 3.22Å; S865-Q869 PolarHBondContact O-N 3.02Å; S865-T875 WeakPolarHBondContact CB-OG1 2.94Å; S865-T875 PolarHBondContact OG-OG1 3.47Å
866S91.5Very high91.8Very high64 Ų6449 Ų4945%0.44825%0.254SS..Hα-helixtrans-67.3-45.1178.7-177.70000112.8D862 T863 V864 L868 Q869 N870D862-S866 WeakPolarHBondContact O-CB 3.09Å; D862-S866 PolarHBondContact O-N 3.11Å; T863-S866 PolarHBondContact O-N 3.45Å; V864-S866 VanDerWaalsContact C-N 3.3Å; V864-S866 PolarHBondContact O-N 2.91Å; S866-L868 VanDerWaalsContact C-N 3.35Å; S866-L868 PolarHBondContact O-N 3.44Å; S866-Q869 PolarHBondContact O-N 3.49Å; S866-N870 PolarHBondContact O-N 2.85Å; S866-N870 VanDerWaalsContact O-N 3.12Å; S866-N870 PolarHBondContact O-OD1 2.77Å
867K92.4Very high92.1Very high51 Ų5142.2 Ų42.222%0.22222%0.224CC..Hα-helixtrans-61.3-42.9177.2-79.5-166.8172.1-167.90112.3L859 T863 V864 N870 N871 I934 N937L859-K867 HydrophobicContact CD1-CD 3.89Å; T863-K867 PolarHBondContact O-N 3.07Å; V864-K867 PolarHBondContact O-N 3.01Å; K867-N870 PolarHBondContact O-N 3.24Å; K867-N871 PolarHBondContact O-ND2 3.41Å; K867-I934 HydrophobicContact CB-CG2 4.2Å; K867-N937 PolarHBondContact NZ-O 3.15Å; K867-N937 PolarHBondContact NZ-OXT 3.18Å
868L95Very high92.3Very high0 Ų046.4 Ų46.40%024%0.241CC..Hα-helixtrans-68.7-39.8178.6-74.7171.8000111.6V864 S866 N870 N871 N872 V873 L903 Y931 I934 L935V864-L868 HydrophobicContact CG1-CD1 3.69Å; V864-L868 WeakPolarHBondContact O-CB 3.5Å; V864-L868 WeakPolarHBondContact O-CG 3.2Å; V864-L868 PolarHBondContact O-N 3.42Å; S866-L868 VanDerWaalsContact C-N 3.35Å; S866-L868 PolarHBondContact O-N 3.44Å; L868-N870 VanDerWaalsContact C-N 3.31Å; L868-N870 PolarHBondContact O-N 2.97Å; L868-N871 CarbonylContact O-C 3.57Å; L868-N871 WeakPolarHBondContact O-CA 3.23Å; L868-N871 PolarHBondContact O-N 2.94Å; L868-N872 PolarHBondContact O-N 2.86Å; L868-V873 CarbonylContact C-O 3.34Å; L868-V873 VanDerWaalsContact C-O 3.27Å; L868-V873 HydrophobicContact CB-CB 3.92Å; L868-V873 HydrophobicContact CB-CG1 4.07Å; L868-V873 HydrophobicContact CD2-CB 4.36Å; L868-V873 HydrophobicContact CD2-CG1 4.35Å; L868-V873 HydrophobicContact CD2-CG2 4.48Å; L868-V873 WeakPolarHBondContact O-CB 3.3Å; L868-V873 PolarHBondContact O-N 3.29Å; L868-L903 HydrophobicContact CD1-CD2 4.32Å; L868-Y931 HydrophobicContact CD1-CD1 4.15Å; L868-Y931 HydrophobicContact CD1-CE1 3.75Å; L868-Y931 HydrophobicContact CD2-CD1 3.99Å; L868-Y931 HydrophobicContact CD2-CE1 3.99Å; L868-Y931 HydrophobicContact CD2-CG 4.32Å; L868-I934 HydrophobicContact CD2-CB 4.48Å; L868-I934 HydrophobicContact CD2-CD1 4.36Å; L868-I934 HydrophobicContact CD2-CG2 4.03Å; L868-L935 HydrophobicContact CD1-CD2 4.32Å; L868-L935 HydrophobicContact CD2-CD2 4.45Å; L868-L935 HydrophobicContact CG-CD2 4.12Å
869Q93.1Very high92.6Very high107 Ų10745 Ų4550%0.523%0.23SC..Hα-helixtrans-63.6-34.7177.1-174.7172.9-8.100112.8S865 S866 N871 N872 V873 Y874S865-Q869 WeakPolarHBondContact O-CB 3.22Å; S865-Q869 PolarHBondContact O-N 3.02Å; S866-Q869 PolarHBondContact O-N 3.49Å; Q869-N871 PolarHBondContact O-N 3.33Å; Q869-N871 VanDerWaalsContact O-N 3.14Å; Q869-N872 PolarHBondContact O-N 3.5Å; Q869-N872 VanDerWaalsContact O-N 3.1Å; Q869-V873 VanDerWaalsContact CA-O 3.23Å; Q869-V873 WeakPolarHBondContact CA-O 3.49Å; Q869-V873 PolarHBondContact N-O 3.3Å; Q869-Y874 HydrophobicContact CG-CD1 4.3Å; Q869-Y874 HydrophobicContact CG-CE1 4.41Å
870N90.5Very high92.6Very high66 Ų6648.2 Ų48.235%0.35325%0.247SC..THydrogen-bonded Turntrans-64.5-13.2173-66.8-13.9000113.4G706 S866 K867 L868G706-N870 WeakPolarHBondContact CA-O 3.49Å; S866-N870 PolarHBondContact O-N 2.85Å; S866-N870 VanDerWaalsContact O-N 3.12Å; S866-N870 PolarHBondContact O-OD1 2.77Å; K867-N870 PolarHBondContact O-N 3.24Å; L868-N870 VanDerWaalsContact C-N 3.31Å; L868-N870 PolarHBondContact O-N 2.97Å
871N92.4Very high92.5Very high11 Ų1147 Ų476%0.05924%0.243CC..THydrogen-bonded Turntrans-111.823.1176.3-71.4-87.7000112G706 Y707 F826 K867 L868 Q869 V873 I934G706-N871 WeakPolarHBondContact CA-OD1 3.4Å; Y707-N871 PolarHBondContact N-ND2 2.89Å; Y707-N871 PolarHBondContact N-OD1 3.23Å; F826-N871 VanDerWaalsContact CD2-O 3.25Å; F826-N871 WeakPolarHBondContact CD2-O 3.5Å; K867-N871 PolarHBondContact O-ND2 3.41Å; L868-N871 CarbonylContact O-C 3.57Å; L868-N871 WeakPolarHBondContact O-CA 3.23Å; L868-N871 PolarHBondContact O-N 2.94Å; Q869-N871 PolarHBondContact O-N 3.33Å; Q869-N871 VanDerWaalsContact O-N 3.14Å; N871-V873 VanDerWaalsContact C-N 3.29Å; N871-V873 PolarHBondContact O-N 2.75Å; N871-I934 HydrophobicContact CB-CD1 3.66Å
872N94.3Very high92.3Very high20 Ų2056 Ų5611%0.10728%0.284CS..THydrogen-bonded Turntrans62.728.6-179.3-57.5-28.1000114.9H731 F826 L868 Q869 Y874H731-N872 PolarHBondContact CE1-ND2 2.89Å; F826-N872 HydrophobicContact CB-CB 3.9Å; F826-N872 PolarHBondContact O-ND2 3.4Å; L868-N872 PolarHBondContact O-N 2.86Å; Q869-N872 PolarHBondContact O-N 3.5Å; Q869-N872 VanDerWaalsContact O-N 3.1Å; N872-Y874 HydrophobicContact CB-CE2 4.17Å; N872-Y874 WeakPolarHBondContact O-CD2 3.46Å; N872-Y874 WeakPolarHBondContact O-CE2 3.28Å; N872-Y874 PolarHBondContact OD1-OH 3.42Å
873V96.5Very high92Very high0 Ų053.2 Ų53.20%028%0.279CS..  trans-107.2114.4169.8178.80000109.2F826 L868 Q869 N871 Q889 L891 Y931F826-V873 HydrophobicContact CD2-CG2 3.68Å; F826-V873 HydrophobicContact CE2-CG2 3.57Å; L868-V873 CarbonylContact C-O 3.34Å; L868-V873 VanDerWaalsContact C-O 3.27Å; L868-V873 HydrophobicContact CB-CB 3.92Å; L868-V873 HydrophobicContact CB-CG1 4.07Å; L868-V873 HydrophobicContact CD2-CB 4.36Å; L868-V873 HydrophobicContact CD2-CG1 4.35Å; L868-V873 HydrophobicContact CD2-CG2 4.48Å; L868-V873 WeakPolarHBondContact O-CB 3.3Å; L868-V873 PolarHBondContact O-N 3.29Å; Q869-V873 VanDerWaalsContact CA-O 3.23Å; Q869-V873 WeakPolarHBondContact CA-O 3.49Å; Q869-V873 PolarHBondContact N-O 3.3Å; N871-V873 VanDerWaalsContact C-N 3.29Å; N871-V873 PolarHBondContact O-N 2.75Å; V873-Q889 HydrophobicContact CG1-CB 4.19Å; V873-L891 HydrophobicContact CG1-CD2 4.27Å; V873-L891 HydrophobicContact CG2-CB 4.16Å; V873-L891 HydrophobicContact CG2-CD2 3.71Å; V873-Y931 HydrophobicContact CG1-CE2 4.34Å; V873-Y931 WeakPolarHBondContact CG1-OH 3.38Å
874Y96.9Very high91.9Very high30 Ų3052.4 Ų52.412%0.11827%0.272CS..EExtended strand (participates in β ladder)trans-103.8126.6-166.6-58.3-83000111.9E828 K831 Q869 N872 I876 Q889 S890E828-Y874 WeakPolarHBondContact CA-OH 3.33Å; E828-Y874 PolarHBondContact O-OH 3.3Å; K831-Y874 HydrophobicContact CB-CD1 4.1Å; K831-Y874 HydrophobicContact CB-CD2 3.82Å; K831-Y874 HydrophobicContact CB-CE2 4.38Å; K831-Y874 HydrophobicContact CB-CG 3.65Å; K831-Y874 HydrophobicContact CD-CD1 4.35Å; K831-Y874 HydrophobicContact CD-CG 4.48Å; K831-Y874 HydrophobicContact CG-CD1 4.45Å; K831-Y874 HydrophobicContact CG-CG 4.09Å; Q869-Y874 HydrophobicContact CG-CD1 4.3Å; Q869-Y874 HydrophobicContact CG-CE1 4.41Å; N872-Y874 HydrophobicContact CB-CE2 4.17Å; N872-Y874 WeakPolarHBondContact O-CD2 3.46Å; N872-Y874 WeakPolarHBondContact O-CE2 3.28Å; N872-Y874 PolarHBondContact OD1-OH 3.42Å; Y874-I876 PolarHBondContact O-N 3.15Å; Y874-Q889 CarbonylContact O-C 3.58Å; Y874-Q889 WeakPolarHBondContact O-CA 3.46Å; Y874-S890 PolarHBondContact N-O 3.37Å; Y874-S890 PolarHBondContact O-N 3.25Å
875T96.5Very high91.9Very high36 Ų3653.9 Ų53.922%0.22128%0.28CS..EExtended strand (participates in β ladder)trans-77.5118.1172-56.70000110.1S865 L887 Y888 Q889S865-T875 WeakPolarHBondContact CB-OG1 2.94Å; S865-T875 PolarHBondContact OG-OG1 3.47Å; T875-L887 HydrophobicContact CG2-CD2 4.07Å; T875-Y888 CarbonylContact C-O 3.56Å; T875-Q889 PolarHBondContact OG1-NE2 2.95Å; T875-Q889 VanDerWaalsContact OG1-NE2 3.13Å
876I95.4Very high91.9Very high27 Ų2753.5 Ų53.514%0.13828%0.276CS..EExtended strand (participates in β ladder)trans-90.3-38-177.6-54-44.2000111.4K831 M832 R834 F837 Y874 Y888 S890K831-I876 HydrophobicContact CG-CD1 3.94Å; M832-I876 WeakPolarHBondContact O-CD1 3.42Å; R834-I876 HydrophobicContact CB-CG2 3.97Å; R834-I876 HydrophobicContact CG-CG2 4.38Å; F837-I876 HydrophobicContact CB-CG2 4.18Å; F837-I876 HydrophobicContact CD2-CG1 4.15Å; F837-I876 HydrophobicContact CG-CG2 4.42Å; Y874-I876 PolarHBondContact O-N 3.15Å; I876-Y888 PolarHBondContact N-O 3Å; I876-S890 WeakPolarHBondContact CD1-OG 3.37Å
877A93Very high92.2Very high12 Ų1250.5 Ų50.510%0.09926%0.255CS..EExtended strand (participates in β ladder)trans-151.3144174.700000110.8Y888A877-Y888 HydrophobicContact CB-CD2 4.11Å; A877-Y888 PolarHBondContact N-O 3.3Å; A877-Y888 PolarHBondContact O-N 3.26Å
878K91.9Very high92.4Very high90 Ų9050 Ų5039%0.39125%0.252SS..EExtended strand (participates in β ladder)trans-111.9133.2166.8-179.4176.2-177.3-175.70108D862 M886 L887D862-K878 VanDerWaalsContact CG-NZ 3.29Å; D862-K878 IonicContact OD1-NZ 2.67Å; D862-K878 PolarHBondContact OD1-NZ 2.96Å; D862-K878 IonicContact OD2-NZ 2.69Å; D862-K878 PolarHBondContact OD2-NZ 3.25Å; K878-M886 CarbonylContact C-O 3.5Å; K878-M886 WeakPolarHBondContact CA-O 3.43Å; K878-L887 HydrophobicContact CB-CD2 3.92Å; K878-L887 HydrophobicContact CD-CD2 4.07Å; K878-L887 HydrophobicContact CG-CD2 3.73Å
879R92Very high92.5Very high131 Ų13150 Ų5049%0.49425%0.252SS..EExtended strand (participates in β ladder)trans-133.6142.7172.8-75-173.8166.3174.8-1.7109V881 M886 Y888R879-V881 HydrophobicContact CB-CG2 4.21Å; R879-M886 HydrophobicContact CB-CB 4.4Å; R879-M886 PolarHBondContact N-O 2.85Å; R879-M886 WeakPolarHBondContact O-CB 3.36Å; R879-M886 PolarHBondContact O-N 3Å; R879-Y888 HydrophobicContact CG-CE2 4.47Å
880N89.3Confident92.8Very high102 Ų10245 Ų4555%0.54523%0.229SC..EExtended strand (participates in β ladder)trans-98.6119.6165.6-168.1-85.5000107.7G883 Q884 D885N880-G883 WeakPolarHBondContact OD1-CA 3.37Å; N880-G883 PolarHBondContact OD1-N 3.16Å; N880-Q884 CarbonylContact C-O 3.46Å; N880-Q884 WeakPolarHBondContact CA-O 3.37Å; N880-D885 PolarHBondContact ND2-OD1 3.05Å
881V86.3Confident93.1Very high67 Ų6741.9 Ų41.941%0.40621%0.212SC..EExtended strand (participates in β ladder)trans-124.2116.5-179.7-176.80000107R879 G883 Q884 M886R879-V881 HydrophobicContact CB-CG2 4.21Å; V881-G883 PolarHBondContact O-N 3.37Å; V881-G883 VanDerWaalsContact O-N 3.15Å; V881-Q884 PolarHBondContact N-O 3.22Å; V881-Q884 WeakPolarHBondContact O-CB 3.33Å; V881-Q884 PolarHBondContact O-N 2.91Å; V881-M886 HydrophobicContact CB-CG 4.17Å; V881-M886 HydrophobicContact CG2-CG 3.97Å
882E85.1Confident93.3Very high190 Ų19043.2 Ų43.289%0.88822%0.218SC*.THydrogen-bonded Turntrans53.935.5179.1-59.1179.9172.400113.9Q884E882-Q884 VanDerWaalsContact C-N 3.27Å; E882-Q884 PolarHBondContact O-N 3.49Å
883G83.3Confident93.3Very high41 Ų4142.3 Ų42.342%0.42321%0.212SC..THydrogen-bonded Turntrans80.7-0.5-17800000114.7N880 V881 P907N880-G883 WeakPolarHBondContact OD1-CA 3.37Å; N880-G883 PolarHBondContact OD1-N 3.16Å; V881-G883 PolarHBondContact O-N 3.37Å; V881-G883 VanDerWaalsContact O-N 3.15Å; G883-P907 WeakPolarHBondContact O-CD 3.44Å; G883-P907 WeakPolarHBondContact O-CG 3.5Å
884Q88.7Confident93.2Very high40 Ų4044.2 Ų44.219%0.18722%0.224CC..EExtended strand (participates in β ladder)trans-97.3134.4173.9-57.3-179-12.200110.4N880 V881 E882 R904 Q906N880-Q884 CarbonylContact C-O 3.46Å; N880-Q884 WeakPolarHBondContact CA-O 3.37Å; V881-Q884 PolarHBondContact N-O 3.22Å; V881-Q884 WeakPolarHBondContact O-CB 3.33Å; V881-Q884 PolarHBondContact O-N 2.91Å; E882-Q884 VanDerWaalsContact C-N 3.27Å; E882-Q884 PolarHBondContact O-N 3.49Å; Q884-R904 HydrophobicContact CB-CG 4.43Å; Q884-Q906 HydrophobicContact CG-CB 4.11Å; Q884-Q906 HydrophobicContact CG-CG 4.18Å
885D92.1Very high92.9Very high30 Ų3046.5 Ų46.516%0.1624%0.239CC..EExtended strand (participates in β ladder)trans-83.1118.6172.9-76.7-25.4000109.9A861 N880 I905A861-D885 HydrophobicContact CB-CB 3.82Å; A861-D885 WeakPolarHBondContact CB-OD2 3.32Å; N880-D885 PolarHBondContact ND2-OD1 3.05Å; D885-I905 HydrophobicContact CB-CB 4.34Å; D885-I905 PolarHBondContact N-O 3.34Å; D885-I905 PolarHBondContact O-N 3.02Å
886M94.8Very high92.7Very high9 Ų946.5 Ų46.54%0.04425%0.245CC..EExtended strand (participates in β ladder)trans-104.9116.5178.7-57.9-64-72.300109.2K878 R879 V881 Y888 E902 R904K878-M886 CarbonylContact C-O 3.5Å; K878-M886 WeakPolarHBondContact CA-O 3.43Å; R879-M886 HydrophobicContact CB-CB 4.4Å; R879-M886 PolarHBondContact N-O 2.85Å; R879-M886 WeakPolarHBondContact O-CB 3.36Å; R879-M886 PolarHBondContact O-N 3Å; V881-M886 HydrophobicContact CB-CG 4.17Å; V881-M886 HydrophobicContact CG2-CG 3.97Å; M886-Y888 HydrophobicContact CB-CE2 4.1Å; M886-E902 HydrophobicContact CE-CG 3.64Å; M886-E902 WeakPolarHBondContact CE-OE1 3.34Å; M886-R904 HydrophobicContact CE-CB 4.25Å; M886-R904 HydrophobicContact SD-CB 3.66Å; M886-R904 HydrophobicContact SD-CG 3.57Å; M886-R904 VanDerWaalsContact SD-CG 3.57Å
887L96.1Very high92.7Very high0 Ų047.2 Ų47.20%025%0.249CC..EExtended strand (participates in β ladder)trans-105.9117.3176.5-60.2177.8000109.7A861 V864 T875 K878 Q889 E902 L903 I905A861-L887 HydrophobicContact CB-CD1 4.24Å; A861-L887 HydrophobicContact CB-CD2 4.28Å; A861-L887 HydrophobicContact CB-CG 4.47Å; V864-L887 HydrophobicContact CB-CD1 4.25Å; V864-L887 HydrophobicContact CG1-CD1 3.8Å; T875-L887 HydrophobicContact CG2-CD2 4.07Å; K878-L887 HydrophobicContact CB-CD2 3.92Å; K878-L887 HydrophobicContact CD-CD2 4.07Å; K878-L887 HydrophobicContact CG-CD2 3.73Å; L887-Q889 HydrophobicContact CB-CG 4.21Å; L887-E902 WeakPolarHBondContact O-CA 3.31Å; L887-L903 HydrophobicContact CB-CB 4.28Å; L887-L903 HydrophobicContact CD1-CD2 4.41Å; L887-L903 PolarHBondContact N-O 3.3Å; L887-L903 PolarHBondContact O-N 3.07Å; L887-I905 HydrophobicContact CD1-CD1 3.77Å
888Y97.2Very high92.8Very high41 Ų4150.4 Ų50.416%0.16126%0.259CS..EExtended strand (participates in β ladder)trans-95.9120.6173.3-64-81.6000108.7F837 T875 I876 A877 R879 M886 A901 E902F837-Y888 AromaticContact CE1-CD1 3.76Å; F837-Y888 HydrophobicContact CE1-CD1 3.76Å; F837-Y888 HydrophobicContact CE1-CG 4.21Å; F837-Y888 HydrophobicContact CZ-CD1 4.14Å; T875-Y888 CarbonylContact C-O 3.56Å; I876-Y888 PolarHBondContact N-O 3Å; A877-Y888 HydrophobicContact CB-CD2 4.11Å; A877-Y888 PolarHBondContact N-O 3.3Å; A877-Y888 PolarHBondContact O-N 3.26Å; R879-Y888 HydrophobicContact CG-CE2 4.47Å; M886-Y888 HydrophobicContact CB-CE2 4.1Å; Y888-A901 WeakPolarHBondContact CA-O 3.46Å; Y888-E902 HydrophobicContact CD1-CB 4.39Å; Y888-E902 HydrophobicContact CD1-CG 4.25Å; Y888-E902 HydrophobicContact CE1-CB 4.3Å; Y888-E902 HydrophobicContact CE1-CG 3.81Å; Y888-E902 WeakPolarHBondContact CE1-OE2 3.31Å; Y888-E902 PolarHBondContact OH-OE2 3.35Å
889Q97.9Very high93Very high0 Ų046.1 Ų46.10%024%0.24CC..EExtended strand (participates in β ladder)trans-133147.6-168.8-50.9179.4-51.900111.7F837 V873 Y874 T875 L887 A901 Y931F837-Q889 VanDerWaalsContact CE2-O 3.28Å; F837-Q889 WeakPolarHBondContact CE2-O 3.35Å; V873-Q889 HydrophobicContact CG1-CB 4.19Å; Y874-Q889 CarbonylContact O-C 3.58Å; Y874-Q889 WeakPolarHBondContact O-CA 3.46Å; T875-Q889 PolarHBondContact OG1-NE2 2.95Å; T875-Q889 VanDerWaalsContact OG1-NE2 3.13Å; L887-Q889 HydrophobicContact CB-CG 4.21Å; Q889-A901 HydrophobicContact CB-CB 4.26Å; Q889-A901 PolarHBondContact N-O 3.14Å; Q889-A901 PolarHBondContact O-N 3Å; Q889-Y931 VanDerWaalsContact OE1-CE1 3.27Å; Q889-Y931 PolarHBondContact OE1-OH 3.13Å
890S98Very high93.3Very high1 Ų139.9 Ų39.91%0.00722%0.217CC..EExtended strand (participates in β ladder)trans-126.1148.3174.670.40000110.8G830 M832 Y874 I876G830-S890 CarbonylContact O-C 3.56Å; G830-S890 PolarHBondContact O-OG 3.42Å; M832-S890 PolarHBondContact N-OG 3.19Å; Y874-S890 PolarHBondContact N-O 3.37Å; Y874-S890 PolarHBondContact O-N 3.25Å; I876-S890 WeakPolarHBondContact CD1-OG 3.37Å
891L97.1Very high93.7Very high1 Ų135.1 Ų35.11%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-145.5163.4167.766.690.7000109.4F826 V873 L893 I899 I927 Y931F826-L891 HydrophobicContact CD1-CD1 4.18Å; F826-L891 HydrophobicContact CD2-CD2 4.42Å; F826-L891 HydrophobicContact CE1-CD1 4Å; F826-L891 HydrophobicContact CE2-CD1 4.44Å; F826-L891 HydrophobicContact CE2-CD2 3.89Å; F826-L891 HydrophobicContact CG-CD1 4.48Å; F826-L891 HydrophobicContact CZ-CD1 4.15Å; F826-L891 HydrophobicContact CZ-CD2 4.03Å; V873-L891 HydrophobicContact CG1-CD2 4.27Å; V873-L891 HydrophobicContact CG2-CB 4.16Å; V873-L891 HydrophobicContact CG2-CD2 3.71Å; L891-L893 HydrophobicContact CD1-CD2 4.25Å; L891-I899 HydrophobicContact CD1-CB 3.79Å; L891-I899 HydrophobicContact CD1-CD1 3.57Å; L891-I899 HydrophobicContact CD1-CG1 4.16Å; L891-I899 HydrophobicContact CG-CB 3.98Å; L891-I899 PolarHBondContact N-O 3.29Å; L891-I899 PolarHBondContact O-N 3.4Å; L891-I927 HydrophobicContact CD1-CD1 4.21Å; L891-I927 HydrophobicContact CD2-CG2 4.07Å; L891-Y931 HydrophobicContact CD2-CE2 4.01Å
892K96.5Very high94.2Very high40 Ų4033.3 Ų33.317%0.17418%0.178CC..EExtended strand (participates in β ladder)trans-136142-179.9-177.7-174.4173.1-170.90109.1F826 V827 D829 I897 W898F826-K892 WeakPolarHBondContact CA-O 3.5Å; V827-K892 HydrophobicContact CG2-CB 3.63Å; V827-K892 HydrophobicContact CG2-CD 3.7Å; V827-K892 HydrophobicContact CG2-CG 3.64Å; V827-K892 WeakPolarHBondContact CG2-O 3.36Å; V827-K892 PolarHBondContact N-O 2.79Å; D829-K892 IonicContact OD1-NZ 3.9Å; D829-K892 IonicContact OD2-NZ 3.53Å; D829-K892 PolarHBondContact OD2-NZ 3.4Å; K892-I897 WeakPolarHBondContact CA-O 3.34Å; K892-W898 HydrophobicContact CB-CD2 4.09Å; K892-W898 HydrophobicContact CB-CE3 3.97Å; K892-W898 HydrophobicContact CB-CH2 4.38Å; K892-W898 HydrophobicContact CB-CZ2 4.47Å; K892-W898 HydrophobicContact CB-CZ3 4.13Å; K892-W898 HydrophobicContact CD-CD2 4.34Å; K892-W898 HydrophobicContact CD-CH2 4.22Å; K892-W898 HydrophobicContact CD-CZ2 3.69Å; K892-W898 HydrophobicContact CG-CD2 4.18Å; K892-W898 HydrophobicContact CG-CZ2 4.4Å
893L95.4Very high94.8Very high0 Ų024.2 Ų24.20%014%0.136CC..BIsolated β-bridgetrans-92.5162.3174.7-59.7-175.2000111.5F762 L825 F826 L891 N895 G896 I897 I899 V923 I927F762-L893 HydrophobicContact CE1-CD1 3.89Å; L825-L893 CarbonylContact O-C 3.3Å; L825-L893 WeakPolarHBondContact O-CA 3.49Å; F826-L893 HydrophobicContact CD1-CD2 3.41Å; F826-L893 VanDerWaalsContact CD1-CD2 3.41Å; F826-L893 HydrophobicContact CE1-CD2 3.54Å; L891-L893 HydrophobicContact CD1-CD2 4.25Å; L893-N895 WeakPolarHBondContact CB-OD1 3.45Å; L893-N895 PolarHBondContact O-N 3.02Å; L893-N895 VanDerWaalsContact O-N 3.17Å; L893-G896 PolarHBondContact O-N 2.83Å; L893-I897 HydrophobicContact CD1-CB 4.44Å; L893-I897 PolarHBondContact N-O 2.87Å; L893-I899 HydrophobicContact CD1-CD1 3.92Å; L893-I899 HydrophobicContact CD2-CD1 4.32Å; L893-I899 HydrophobicContact CG-CD1 3.68Å; L893-V923 HydrophobicContact CD1-CG1 3.76Å; L893-I927 HydrophobicContact CD2-CD1 4.41Å
894T93Very high95.3Very high41 Ų4127 Ų2725%0.25213%0.134SC..THydrogen-bonded Turntrans-55.3-30.1177.350.30000114.5I736 T790 L825 V827 G896I736-T894 HydrophobicContact CD1-CG2 4.38Å; T790-T894 HydrophobicContact CG2-CG2 3.94Å; T790-T894 WeakPolarHBondContact OG1-CB 3.22Å; L825-T894 HydrophobicContact CB-CG2 4.45Å; L825-T894 PolarHBondContact O-N 3.12Å; L825-T894 VanDerWaalsContact O-N 3.08Å; V827-T894 HydrophobicContact CG1-CG2 3.85Å; T894-G896 PolarHBondContact O-N 3.2Å
895N91.9Very high95.5Very high78 Ų7825.4 Ų25.442%0.41713%0.126SC..THydrogen-bonded Turntrans-83.67.2176.367.3-1.8000113.9L893 I897L893-N895 WeakPolarHBondContact CB-OD1 3.45Å; L893-N895 PolarHBondContact O-N 3.02Å; L893-N895 VanDerWaalsContact O-N 3.17Å; N895-I897 VanDerWaalsContact ND2-CD1 3.3Å; N895-I897 WeakPolarHBondContact ND2-CD1 3.5Å; N895-I897 WeakPolarHBondContact OD1-CB 3.37Å; N895-I897 VanDerWaalsContact OD1-CG1 3.27Å; N895-I897 WeakPolarHBondContact OD1-CG1 3.3Å; N895-I897 PolarHBondContact OD1-N 2.97Å
896G92.2Very high95.3Very high35 Ų3528 Ų2836%0.36114%0.138SC..SBendtrans85.20.6177.500000115.3L893 T894 W898L893-G896 PolarHBondContact O-N 2.83Å; T894-G896 PolarHBondContact O-N 3.2Å; G896-W898 PolarHBondContact O-N 3.1Å
897I94.1Very high94.7Very high43 Ų4331.7 Ų31.722%0.22116%0.162CC..  trans-68.5127.2175.5-63.6176.4000109.6K892 L893 N895 I899 C918 A920K892-I897 WeakPolarHBondContact CA-O 3.34Å; L893-I897 HydrophobicContact CD1-CB 4.44Å; L893-I897 PolarHBondContact N-O 2.87Å; N895-I897 VanDerWaalsContact ND2-CD1 3.3Å; N895-I897 WeakPolarHBondContact ND2-CD1 3.5Å; N895-I897 WeakPolarHBondContact OD1-CB 3.37Å; N895-I897 VanDerWaalsContact OD1-CG1 3.27Å; N895-I897 WeakPolarHBondContact OD1-CG1 3.3Å; N895-I897 PolarHBondContact OD1-N 2.97Å; I897-I899 HydrophobicContact CG2-CD1 3.94Å; I897-I899 HydrophobicContact CG2-CG1 4.48Å; I897-C918 VanDerWaalsContact CG2-SG 3.52Å; I897-A920 HydrophobicContact CD1-CB 4.19Å
898W96Very high93.9Very high78 Ų7835.9 Ų35.930%0.29521%0.205SC..EExtended strand (participates in β ladder)trans-94.3136.6174-75.291.2000111.2D829 G830 M832 K892 G896D829-W898 WeakPolarHBondContact O-CH2 3.44Å; G830-W898 WeakPolarHBondContact O-CZ3 3.36Å; M832-W898 HydrophobicContact CB-CH2 4.48Å; M832-W898 HydrophobicContact CB-CZ3 4Å; M832-W898 HydrophobicContact CE-CB 4.34Å; M832-W898 HydrophobicContact CE-CD2 3.6Å; M832-W898 HydrophobicContact CE-CE3 3.35Å; M832-W898 HydrophobicContact CE-CG 4.06Å; M832-W898 HydrophobicContact CE-CH2 4.42Å; M832-W898 HydrophobicContact CE-CZ3 3.79Å; K892-W898 HydrophobicContact CB-CD2 4.09Å; K892-W898 HydrophobicContact CB-CE3 3.97Å; K892-W898 HydrophobicContact CB-CH2 4.38Å; K892-W898 HydrophobicContact CB-CZ2 4.47Å; K892-W898 HydrophobicContact CB-CZ3 4.13Å; K892-W898 HydrophobicContact CD-CD2 4.34Å; K892-W898 HydrophobicContact CD-CH2 4.22Å; K892-W898 HydrophobicContact CD-CZ2 3.69Å; K892-W898 HydrophobicContact CG-CD2 4.18Å; K892-W898 HydrophobicContact CG-CZ2 4.4Å; G896-W898 PolarHBondContact O-N 3.1Å
899I97.1Very high93.4Very high1 Ų136.6 Ų36.61%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-123.1129.7174.3-59.592.1000108.7L891 L893 I897 L916 C918 V923 I927L891-I899 HydrophobicContact CD1-CB 3.79Å; L891-I899 HydrophobicContact CD1-CD1 3.57Å; L891-I899 HydrophobicContact CD1-CG1 4.16Å; L891-I899 HydrophobicContact CG-CB 3.98Å; L891-I899 PolarHBondContact N-O 3.29Å; L891-I899 PolarHBondContact O-N 3.4Å; L893-I899 HydrophobicContact CD1-CD1 3.92Å; L893-I899 HydrophobicContact CD2-CD1 4.32Å; L893-I899 HydrophobicContact CG-CD1 3.68Å; I897-I899 HydrophobicContact CG2-CD1 3.94Å; I897-I899 HydrophobicContact CG2-CG1 4.48Å; I899-L916 HydrophobicContact CG2-CD2 4.11Å; I899-C918 HydrophobicContact CG1-CB 4.23Å; I899-V923 HydrophobicContact CD1-CG1 4.47Å; I899-I927 HydrophobicContact CD1-CD1 4.49Å; I899-I927 HydrophobicContact CG1-CG1 4.32Å; I899-I927 HydrophobicContact CG2-CG1 4.42Å; I899-I927 HydrophobicContact CG2-CG2 4.28Å
900L98.1Very high92.9Very high0 Ų038.3 Ų38.30%022%0.223CC..EExtended strand (participates in β ladder)trans-110.2136.3178.3-64.578.7000108.7M832 F837 T840 W841 I844 L916 K917M832-L900 HydrophobicContact SD-CD2 4.49Å; F837-L900 HydrophobicContact CD2-CD2 3.74Å; F837-L900 HydrophobicContact CD2-CG 4.07Å; F837-L900 HydrophobicContact CE2-CB 3.73Å; F837-L900 HydrophobicContact CE2-CD2 3.7Å; F837-L900 HydrophobicContact CE2-CG 3.78Å; F837-L900 HydrophobicContact CG-CD2 4.24Å; F837-L900 HydrophobicContact CZ-CB 4.14Å; F837-L900 HydrophobicContact CZ-CD2 4.16Å; F837-L900 HydrophobicContact CZ-CG 4.5Å; T840-L900 HydrophobicContact CG2-CD1 3.86Å; T840-L900 HydrophobicContact CG2-CD2 4.08Å; W841-L900 HydrophobicContact CB-CD2 4.05Å; W841-L900 HydrophobicContact CE3-CB 3.64Å; W841-L900 HydrophobicContact CE3-CD2 4.01Å; W841-L900 HydrophobicContact CE3-CG 4.5Å; W841-L900 HydrophobicContact CZ3-CB 3.79Å; I844-L900 HydrophobicContact CD1-CD1 3.88Å; L900-L916 WeakPolarHBondContact O-CA 3.44Å; L900-K917 PolarHBondContact N-O 3.03Å; L900-K917 PolarHBondContact O-N 3.46Å
901A97.5Very high92.6Very high1 Ų141.1 Ų41.11%0.00824%0.238CC..EExtended strand (participates in β ladder)trans-127.3139.7-178.200000111.6Y888 Q889 L914 S915 L916 Y931Y888-A901 WeakPolarHBondContact CA-O 3.46Å; Q889-A901 HydrophobicContact CB-CB 4.26Å; Q889-A901 PolarHBondContact N-O 3.14Å; Q889-A901 PolarHBondContact O-N 3Å; A901-L914 HydrophobicContact CB-CD1 3.98Å; A901-S915 CarbonylContact C-O 3.56Å; A901-S915 VanDerWaalsContact CA-O 3.3Å; A901-S915 WeakPolarHBondContact CA-O 3.26Å; A901-L916 HydrophobicContact CB-CD2 3.61Å; A901-Y931 VanDerWaalsContact CB-OH 3.31Å; A901-Y931 WeakPolarHBondContact CB-OH 3.18Å
902E96.5Very high92.4Very high29 Ų2941.4 Ų41.414%0.13624%0.239CC..EExtended strand (participates in β ladder)trans-114113.2162.4-177.7-175.795.100107.7W841 M886 L887 Y888 R904 S915W841-E902 HydrophobicContact CH2-CB 3.76Å; W841-E902 HydrophobicContact CZ2-CB 4.29Å; W841-E902 HydrophobicContact CZ3-CB 4.44Å; M886-E902 HydrophobicContact CE-CG 3.64Å; M886-E902 WeakPolarHBondContact CE-OE1 3.34Å; L887-E902 WeakPolarHBondContact O-CA 3.31Å; Y888-E902 HydrophobicContact CD1-CB 4.39Å; Y888-E902 HydrophobicContact CD1-CG 4.25Å; Y888-E902 HydrophobicContact CE1-CB 4.3Å; Y888-E902 HydrophobicContact CE1-CG 3.81Å; Y888-E902 WeakPolarHBondContact CE1-OE2 3.31Å; Y888-E902 PolarHBondContact OH-OE2 3.35Å; E902-R904 IonicContact OE1-NH2 2.64Å; E902-S915 PolarHBondContact N-O 2.86Å; E902-S915 PolarHBondContact O-N 3.4Å
903L96.7Very high92.4Very high0 Ų041.4 Ų41.40%024%0.242CC..EExtended strand (participates in β ladder)trans-108.5118.5177.9-179.565.8000109.8I854 V864 L868 L887 I905 T913 L914 L935I854-L903 HydrophobicContact CD1-CD1 4.35Å; V864-L903 HydrophobicContact CG1-CD2 3.5Å; L868-L903 HydrophobicContact CD1-CD2 4.32Å; L887-L903 HydrophobicContact CB-CB 4.28Å; L887-L903 HydrophobicContact CD1-CD2 4.41Å; L887-L903 PolarHBondContact N-O 3.3Å; L887-L903 PolarHBondContact O-N 3.07Å; L903-I905 HydrophobicContact CD2-CD1 4.37Å; L903-I905 HydrophobicContact CG-CG1 4.28Å; L903-T913 WeakPolarHBondContact CA-O 3.48Å; L903-L914 HydrophobicContact CB-CD1 4.21Å; L903-L914 HydrophobicContact CD1-CB 4.05Å; L903-L914 HydrophobicContact CD1-CD1 4.17Å; L903-L935 HydrophobicContact CD2-CD1 4.26Å
904R95.1Very high92.5Very high99 Ų9941.4 Ų41.437%0.37424%0.242SC..EExtended strand (participates in β ladder)trans-102.6122-179.5176.6-175.2-60.2-159.312.3110.3Q884 M886 E902 Y912 T913Q884-R904 HydrophobicContact CB-CG 4.43Å; M886-R904 HydrophobicContact CE-CB 4.25Å; M886-R904 HydrophobicContact SD-CB 3.66Å; M886-R904 HydrophobicContact SD-CG 3.57Å; M886-R904 VanDerWaalsContact SD-CG 3.57Å; E902-R904 IonicContact OE1-NH2 2.64Å; R904-Y912 WeakPolarHBondContact O-CA 3.43Å; R904-T913 PolarHBondContact N-O 3.05Å; R904-T913 PolarHBondContact O-N 3.49Å; R904-T913 VanDerWaalsContact O-N 3.1Å
905I92.7Very high92.7Very high7 Ų739.6 Ų39.64%0.03623%0.232CC..EExtended strand (participates in β ladder)trans-120.2115.2-179.3-58.3171.5000107.9A861 V864 D885 L887 L903 Y912A861-I905 HydrophobicContact CB-CD1 4.1Å; V864-I905 HydrophobicContact CB-CD1 4.06Å; V864-I905 HydrophobicContact CG1-CD1 4.09Å; V864-I905 HydrophobicContact CG2-CD1 3.84Å; D885-I905 HydrophobicContact CB-CB 4.34Å; D885-I905 PolarHBondContact N-O 3.34Å; D885-I905 PolarHBondContact O-N 3.02Å; L887-I905 HydrophobicContact CD1-CD1 3.77Å; L903-I905 HydrophobicContact CD2-CD1 4.37Å; L903-I905 HydrophobicContact CG-CG1 4.28Å; I905-Y912 HydrophobicContact CB-CD1 4.44Å; I905-Y912 HydrophobicContact CD1-CD2 4.41Å; I905-Y912 HydrophobicContact CD1-CE2 4.25Å; I905-Y912 HydrophobicContact CG1-CD1 4.26Å; I905-Y912 HydrophobicContact CG1-CD2 3.95Å; I905-Y912 HydrophobicContact CG1-CE1 4.5Å; I905-Y912 HydrophobicContact CG1-CE2 4.1Å; I905-Y912 HydrophobicContact CG1-CG 4.03Å; I905-Y912 HydrophobicContact CG2-CD1 4.15Å; I905-Y912 HydrophobicContact CG2-CE1 3.77Å; I905-Y912 HydrophobicContact CG2-CE2 4.42Å
906Q88.2Confident92.9Very high84 Ų8435.9 Ų35.939%0.39321%0.212SC..  trans-96.9119.9174.4179.3177.126.400109.2Q884 G908 N909Q884-Q906 HydrophobicContact CG-CB 4.11Å; Q884-Q906 HydrophobicContact CG-CG 4.18Å; Q906-G908 PolarHBondContact O-N 2.84Å; Q906-N909 HydrophobicContact CB-CB 3.94Å; Q906-N909 HydrophobicContact CG-CB 4.13Å; Q906-N909 PolarHBondContact O-N 3.12Å; Q906-N909 PolarHBondContact OE1-ND2 2.66Å
907P80.7Confident93.1Very high87 Ų8734.3 Ų34.357%0.56520%0.195SC*.THydrogen-bonded Turntrans-53127.5177.2-26.835000112G883 N909G883-P907 WeakPolarHBondContact O-CD 3.44Å; G883-P907 WeakPolarHBondContact O-CG 3.5Å; P907-N909 VanDerWaalsContact C-N 3.31Å; P907-N909 PolarHBondContact O-N 2.8Å
908G80.6Confident93.2Very high88 Ų8832.3 Ų32.391%0.90719%0.185SC*.THydrogen-bonded Turntrans85.2-13.1-177.600000115.5Q906Q906-G908 PolarHBondContact O-N 2.84Å
909N86.5Confident93.1Very high55 Ų5537 Ų3729%0.29420%0.203SC..  trans-97.4119.4173.7-174.2-8.9000109.7Q906 P907 N911Q906-N909 HydrophobicContact CB-CB 3.94Å; Q906-N909 HydrophobicContact CG-CB 4.13Å; Q906-N909 PolarHBondContact O-N 3.12Å; Q906-N909 PolarHBondContact OE1-ND2 2.66Å; P907-N909 VanDerWaalsContact C-N 3.31Å; P907-N909 PolarHBondContact O-N 2.8Å; N909-N911 PolarHBondContact O-N 3.31Å; N909-N911 WeakPolarHBondContact OD1-CB 3.41Å; N909-N911 PolarHBondContact OD1-N 2.82Å
910P87.5Confident92.8Very high36 Ų3638.5 Ų38.523%0.23421%0.214CC..  trans-75.9-3.3-179.731.3-35.7000114.4E856 C857E856-P910 PolarHBondContact N-O 3.37Å; C857-P910 PolarHBondContact N-O 3.25Å; C857-P910 CarbonylContact O-C 3.56Å; C857-P910 WeakPolarHBondContact O-CA 3.04Å
911N91.2Very high92.5Very high60 Ų6040.4 Ų40.432%0.32123%0.227SC..  trans-103114.4-178.4-60.3-39.3000110.2I854 K855 N909I854-N911 CarbonylContact O-C 3.6Å; I854-N911 WeakPolarHBondContact O-CA 3.36Å; K855-N911 WeakPolarHBondContact CA-OD1 3.44Å; N909-N911 PolarHBondContact O-N 3.31Å; N909-N911 WeakPolarHBondContact OD1-CB 3.41Å; N909-N911 PolarHBondContact OD1-N 2.82Å
912Y93.8Very high92.1Very high7 Ų745.2 Ų45.23%0.02725%0.249CC..EExtended strand (participates in β ladder)trans-95.7146.4179.1-55-12.4000110.1Q853 I854 C857 L859 V864 R904 I905 L935Q853-Y912 WeakPolarHBondContact CA-O 3.4Å; I854-Y912 PolarHBondContact N-O 3.02Å; I854-Y912 PolarHBondContact O-N 3.27Å; C857-Y912 HydrophobicContact CB-CD2 3.97Å; C857-Y912 HydrophobicContact CB-CE1 4.3Å; C857-Y912 HydrophobicContact CB-CE2 3.59Å; C857-Y912 WeakPolarHBondContact O-CE1 3.27Å; C857-Y912 PolarHBondContact O-OH 3.17Å; C857-Y912 VanDerWaalsContact O-OH 3.06Å; C857-Y912 WeakPolarHBondContact SG-CE2 3.26Å; L859-Y912 PolarHBondContact N-OH 3.38Å; L859-Y912 PolarHBondContact O-OH 2.87Å; V864-Y912 HydrophobicContact CG2-CE2 4.02Å; R904-Y912 WeakPolarHBondContact O-CA 3.43Å; I905-Y912 HydrophobicContact CB-CD1 4.44Å; I905-Y912 HydrophobicContact CD1-CD2 4.41Å; I905-Y912 HydrophobicContact CD1-CE2 4.25Å; I905-Y912 HydrophobicContact CG1-CD1 4.26Å; I905-Y912 HydrophobicContact CG1-CD2 3.95Å; I905-Y912 HydrophobicContact CG1-CE1 4.5Å; I905-Y912 HydrophobicContact CG1-CE2 4.1Å; I905-Y912 HydrophobicContact CG1-CG 4.03Å; I905-Y912 HydrophobicContact CG2-CD1 4.15Å; I905-Y912 HydrophobicContact CG2-CE1 3.77Å; I905-Y912 HydrophobicContact CG2-CE2 4.42Å; Y912-L935 HydrophobicContact CD2-CD1 4.38Å
913T95.4Very high92Very high40 Ų4044.1 Ų44.125%0.24525%0.245CC..EExtended strand (participates in β ladder)trans-104.5121.9175.2-51.10000109.1L903 R904L903-T913 WeakPolarHBondContact CA-O 3.48Å; R904-T913 PolarHBondContact N-O 3.05Å; R904-T913 PolarHBondContact O-N 3.49Å; R904-T913 VanDerWaalsContact O-N 3.1Å
914L97.1Very high91.9Very high0 Ų044.1 Ų44.10%025%0.245CC..EExtended strand (participates in β ladder)trans-111.8115.4178.7176.167.7000109.3Q851 F852 I854 A901 L903 L916 Y928 Y931Q851-L914 CarbonylContact C-O 3.35Å; Q851-L914 WeakPolarHBondContact CA-O 3.48Å; F852-L914 PolarHBondContact N-O 3.04Å; F852-L914 PolarHBondContact O-N 3.46Å; I854-L914 HydrophobicContact CD1-CB 4.3Å; I854-L914 HydrophobicContact CD1-CD2 4.26Å; A901-L914 HydrophobicContact CB-CD1 3.98Å; L903-L914 HydrophobicContact CB-CD1 4.21Å; L903-L914 HydrophobicContact CD1-CB 4.05Å; L903-L914 HydrophobicContact CD1-CD1 4.17Å; L914-L916 HydrophobicContact CD1-CD2 4.01Å; L914-L916 HydrophobicContact CD1-CG 4.42Å; L914-L916 HydrophobicContact CD2-CD1 4.05Å; L914-L916 HydrophobicContact CD2-CD2 4.17Å; L914-L916 HydrophobicContact CD2-CG 4.07Å; L914-L916 HydrophobicContact CG-CD1 4.49Å; L914-L916 HydrophobicContact CG-CD2 4.11Å; L914-L916 HydrophobicContact CG-CG 3.99Å; L914-Y928 HydrophobicContact CD2-CD2 4.42Å; L914-Y931 HydrophobicContact CD1-CD1 3.86Å; L914-Y931 HydrophobicContact CD1-CE1 3.73Å; L914-Y931 HydrophobicContact CD1-CG 4.48Å; L914-Y931 HydrophobicContact CD2-CD1 3.86Å; L914-Y931 HydrophobicContact CD2-CD2 4.24Å; L914-Y931 HydrophobicContact CD2-CE1 4.44Å; L914-Y931 HydrophobicContact CD2-CG 3.72Å
915S97.4Very high91.8Very high4 Ų444.6 Ų44.63%0.02825%0.251CS..EExtended strand (participates in β ladder)trans-100.9124.8170-55.10000109.6E849 Q851 A901 E902E849-S915 WeakPolarHBondContact OE1-CB 3.19Å; Q851-S915 WeakPolarHBondContact CG-OG 3.26Å; A901-S915 CarbonylContact C-O 3.56Å; A901-S915 VanDerWaalsContact CA-O 3.3Å; A901-S915 WeakPolarHBondContact CA-O 3.26Å; E902-S915 PolarHBondContact N-O 2.86Å; E902-S915 PolarHBondContact O-N 3.4Å
916L97.7Very high91.9Very high0 Ų045.1 Ų45.10%025%0.253CS..EExtended strand (participates in β ladder)trans-113.8130.2179.2-66.2174.6000110.3E849 L850 F852 I899 L900 A901 L914 S924 I927E849-L916 CarbonylContact C-O 3.5Å; E849-L916 WeakPolarHBondContact CA-O 3.44Å; L850-L916 PolarHBondContact N-O 3.43Å; L850-L916 PolarHBondContact O-N 3.02Å; F852-L916 HydrophobicContact CD2-CD1 4.11Å; F852-L916 HydrophobicContact CE2-CD1 3.95Å; I899-L916 HydrophobicContact CG2-CD2 4.11Å; L900-L916 WeakPolarHBondContact O-CA 3.44Å; A901-L916 HydrophobicContact CB-CD2 3.61Å; L914-L916 HydrophobicContact CD1-CD2 4.01Å; L914-L916 HydrophobicContact CD1-CG 4.42Å; L914-L916 HydrophobicContact CD2-CD1 4.05Å; L914-L916 HydrophobicContact CD2-CD2 4.17Å; L914-L916 HydrophobicContact CD2-CG 4.07Å; L914-L916 HydrophobicContact CG-CD1 4.49Å; L914-L916 HydrophobicContact CG-CD2 4.11Å; L914-L916 HydrophobicContact CG-CG 3.99Å; L916-S924 WeakPolarHBondContact CD1-O 3.48Å; L916-I927 HydrophobicContact CD1-CB 3.93Å; L916-I927 HydrophobicContact CD1-CG2 3.91Å; L916-I927 HydrophobicContact CD2-CG2 4.04Å
917K96.3Very high92.3Very high2 Ų241.1 Ų41.11%0.00923%0.234CC..EExtended strand (participates in β ladder)trans-116.7128.6169.4-79.4-163.4173.5-161.80110.4W841 I844 N846 E849 L900W841-K917 HydrophobicContact CD2-CD 3.94Å; W841-K917 HydrophobicContact CE3-CB 4.39Å; W841-K917 HydrophobicContact CE3-CD 4.28Å; W841-K917 HydrophobicContact CG-CD 4.36Å; W841-K917 HydrophobicContact CH2-CD 4.4Å; W841-K917 HydrophobicContact CH2-CG 4.15Å; W841-K917 HydrophobicContact CZ2-CD 4.07Å; W841-K917 HydrophobicContact CZ2-CG 4.22Å; W841-K917 HydrophobicContact CZ3-CB 4.22Å; W841-K917 HydrophobicContact CZ3-CD 4.5Å; W841-K917 HydrophobicContact CZ3-CG 4.3Å; W841-K917 PolarHBondContact O-NZ 2.91Å; I844-K917 HydrophobicContact CB-CD 4.3Å; I844-K917 HydrophobicContact CD1-CB 4.34Å; I844-K917 HydrophobicContact CG2-CB 4.2Å; I844-K917 HydrophobicContact CG2-CD 4.28Å; I844-K917 HydrophobicContact CG2-CG 4.5Å; I844-K917 PolarHBondContact O-NZ 3.39Å; N846-K917 PolarHBondContact OD1-NZ 3.16Å; E849-K917 HydrophobicContact CB-CD 4.4Å; E849-K917 HydrophobicContact CB-CG 3.76Å; E849-K917 HydrophobicContact CG-CG 3.79Å; E849-K917 WeakPolarHBondContact OE2-CE 3.41Å; E849-K917 IonicContact OE2-NZ 3.01Å; L900-K917 PolarHBondContact N-O 3.03Å; L900-K917 PolarHBondContact O-N 3.46Å
918C95.6Very high93Very high0 Ų039.8 Ų39.80%022%0.218CC..EExtended strand (participates in β ladder)trans-145.6146.7176.8-175.20000109.7N848 I897 I899 A920N848-C918 WeakPolarHBondContact CB-O 3.49Å; I897-C918 VanDerWaalsContact CG2-SG 3.52Å; I899-C918 HydrophobicContact CG1-CB 4.23Å; C918-A920 PolarHBondContact O-N 3Å; C918-A920 PolarHBondContact SG-N 2.81Å; C918-A920 PolarHBondContact SG-O 3.21Å
919R93.2Very high93.7Very high178 Ų17839.6 Ų39.667%0.67219%0.194SC*.SBendtrans-67.2-25170.5-70.9-174.9172.4-148.40.3112.5D843 I844 P921D843-R919 IonicContact OD2-CZ 2.77Å; D843-R919 IonicContact OD2-NE 3.31Å; D843-R919 IonicContact OD2-NH2 2.86Å; D843-R919 PolarHBondContact OD2-NH2 3.35Å; I844-R919 HydrophobicContact CD1-CG 4.35Å; I844-R919 HydrophobicContact CG1-CG 4.01Å; R919-P921 VanDerWaalsContact O-CD 3.31Å; R919-P921 WeakPolarHBondContact O-CD 3.28Å
920A91.8Very high94Very high31 Ų3137.4 Ų37.426%0.25618%0.182SC..SBendtrans-108.185170.700000108.8I897 C918 E922 V923I897-A920 HydrophobicContact CD1-CB 4.19Å; C918-A920 PolarHBondContact O-N 3Å; C918-A920 PolarHBondContact SG-N 2.81Å; C918-A920 PolarHBondContact SG-O 3.21Å; A920-E922 PolarHBondContact O-N 3.03Å; A920-E922 VanDerWaalsContact O-N 3.15Å; A920-V923 HydrophobicContact CB-CG2 4.12Å; A920-V923 PolarHBondContact O-N 3.39Å
921P90.7Very high94.4Very high41 Ų4135.7 Ų35.727%0.26617%0.171SC..G310 helixtrans-61.1-27.6-170.423-33.7000113.2N848 R919 V923 S924N848-P921 HydrophobicContact CB-CB 4.38Å; R919-P921 VanDerWaalsContact O-CD 3.31Å; R919-P921 WeakPolarHBondContact O-CD 3.28Å; P921-V923 PolarHBondContact O-N 3.41Å; P921-V923 VanDerWaalsContact O-N 3.14Å; P921-S924 VanDerWaalsContact O-CB 3.22Å; P921-S924 WeakPolarHBondContact O-CB 3.35Å; P921-S924 PolarHBondContact O-N 3.29Å; P921-S924 PolarHBondContact O-OG 3.33Å
922E90.3Very high94.6Very high102 Ų10234.2 Ų34.248%0.47716%0.163SC..G310 helixtrans-54.8-30.6178-49.5176.9-174.800113.5K796 L800 A920 S924 Y926K796-E922 WeakPolarHBondContact CE-OE2 3.45Å; K796-E922 IonicContact NZ-OE1 3.6Å; K796-E922 PolarHBondContact NZ-OE1 3.44Å; K796-E922 IonicContact NZ-OE2 3.64Å; K796-E922 PolarHBondContact NZ-OE2 3.15Å; L800-E922 HydrophobicContact CD1-CB 3.86Å; A920-E922 PolarHBondContact O-N 3.03Å; A920-E922 VanDerWaalsContact O-N 3.15Å; E922-S924 VanDerWaalsContact C-N 3.29Å; E922-S924 PolarHBondContact O-N 3.39Å; E922-Y926 WeakPolarHBondContact O-CD2 3.36Å; E922-Y926 WeakPolarHBondContact O-CE2 3.36Å
923V93.7Very high94.4Very high6 Ų635.7 Ų35.74%0.03617%0.174CC..G310 helixtrans-72-26.8-179.8-178.50000111.4L800 L822 L893 I899 A920 P921 Q925 Y926 I927L800-V923 HydrophobicContact CD1-CG2 4.18Å; L822-V923 HydrophobicContact CD1-CG1 4.22Å; L893-V923 HydrophobicContact CD1-CG1 3.76Å; I899-V923 HydrophobicContact CD1-CG1 4.47Å; A920-V923 HydrophobicContact CB-CG2 4.12Å; A920-V923 PolarHBondContact O-N 3.39Å; P921-V923 PolarHBondContact O-N 3.41Å; P921-V923 VanDerWaalsContact O-N 3.14Å; V923-Q925 VanDerWaalsContact C-N 3.33Å; V923-Q925 PolarHBondContact O-N 3.47Å; V923-Y926 PolarHBondContact O-N 3.12Å; V923-Y926 VanDerWaalsContact O-N 3.09Å; V923-I927 HydrophobicContact CG1-CD1 4.23Å; V923-I927 HydrophobicContact CG1-CG1 3.94Å; V923-I927 PolarHBondContact O-N 3.23Å; V923-I927 VanDerWaalsContact O-N 3.14Å
924S94.4Very high94.3Very high0 Ų033.9 Ų33.90%016%0.163CC..Hα-helixtrans-62.7-35.7-168.7-47.40000113.2L916 P921 E922 Y926 I927 Y928L916-S924 WeakPolarHBondContact CD1-O 3.48Å; P921-S924 VanDerWaalsContact O-CB 3.22Å; P921-S924 WeakPolarHBondContact O-CB 3.35Å; P921-S924 PolarHBondContact O-N 3.29Å; P921-S924 PolarHBondContact O-OG 3.33Å; E922-S924 VanDerWaalsContact C-N 3.29Å; E922-S924 PolarHBondContact O-N 3.39Å; S924-Y926 VanDerWaalsContact C-N 3.28Å; S924-Y926 PolarHBondContact O-N 2.92Å; S924-I927 PolarHBondContact O-N 3.32Å; S924-Y928 PolarHBondContact O-N 2.95Å
925Q93.9Very high94Very high108 Ų10834 Ų3451%0.50516%0.164SC..Hα-helixtrans-60-39.7176.9178.9174.8-13.200111.9V923 Y928 Q929V923-Q925 VanDerWaalsContact C-N 3.33Å; V923-Q925 PolarHBondContact O-N 3.47Å; Q925-Y928 WeakPolarHBondContact O-CB 3.34Å; Q925-Y928 PolarHBondContact O-N 2.99Å; Q925-Q929 WeakPolarHBondContact O-CG 3.12Å; Q925-Q929 PolarHBondContact O-N 2.76Å
926Y94.6Very high93.6Very high19 Ų1938.9 Ų38.98%0.07519%0.185CC..Hα-helixtrans-75.8-32.2179.3-57.6-84.4000111.9P799 L800 N801 L822 E922 V923 S924 Q929 V930P799-Y926 VanDerWaalsContact CA-OH 3.24Å; P799-Y926 WeakPolarHBondContact CA-OH 3.11Å; P799-Y926 HydrophobicContact CB-CE1 3.82Å; P799-Y926 WeakPolarHBondContact CB-OH 3.34Å; L800-Y926 HydrophobicContact CB-CD2 4.21Å; L800-Y926 HydrophobicContact CB-CE2 3.71Å; L800-Y926 HydrophobicContact CD1-CD2 4.12Å; L800-Y926 HydrophobicContact CD1-CE2 3.77Å; L800-Y926 HydrophobicContact CG-CE2 3.95Å; L800-Y926 PolarHBondContact N-OH 3.06Å; N801-Y926 HydrophobicContact CB-CD1 4.38Å; N801-Y926 WeakPolarHBondContact OD1-CE1 3.38Å; L822-Y926 HydrophobicContact CD1-CG 4.22Å; E922-Y926 WeakPolarHBondContact O-CD2 3.36Å; E922-Y926 WeakPolarHBondContact O-CE2 3.36Å; V923-Y926 PolarHBondContact O-N 3.12Å; V923-Y926 VanDerWaalsContact O-N 3.09Å; S924-Y926 VanDerWaalsContact C-N 3.28Å; S924-Y926 PolarHBondContact O-N 2.92Å; Y926-Q929 PolarHBondContact O-N 3.17Å; Y926-V930 PolarHBondContact O-N 3.28Å; Y926-V930 VanDerWaalsContact O-N 3.16Å
927I95.9Very high92.6Very high0 Ų044.9 Ų44.90%022%0.217CC..Hα-helixtrans-66-40.1171.6-59.2-60.7000110.9L822 F826 L891 L893 I899 L916 V923 S924 Q929 V930 Y931L822-I927 HydrophobicContact CD1-CD1 3.99Å; F826-I927 HydrophobicContact CE1-CD1 3.59Å; F826-I927 HydrophobicContact CZ-CD1 3.66Å; L891-I927 HydrophobicContact CD1-CD1 4.21Å; L891-I927 HydrophobicContact CD2-CG2 4.07Å; L893-I927 HydrophobicContact CD2-CD1 4.41Å; I899-I927 HydrophobicContact CD1-CD1 4.49Å; I899-I927 HydrophobicContact CG1-CG1 4.32Å; I899-I927 HydrophobicContact CG2-CG1 4.42Å; I899-I927 HydrophobicContact CG2-CG2 4.28Å; L916-I927 HydrophobicContact CD1-CB 3.93Å; L916-I927 HydrophobicContact CD1-CG2 3.91Å; L916-I927 HydrophobicContact CD2-CG2 4.04Å; V923-I927 HydrophobicContact CG1-CD1 4.23Å; V923-I927 HydrophobicContact CG1-CG1 3.94Å; V923-I927 PolarHBondContact O-N 3.23Å; V923-I927 VanDerWaalsContact O-N 3.14Å; S924-I927 PolarHBondContact O-N 3.32Å; I927-Q929 VanDerWaalsContact C-N 3.34Å; I927-Q929 PolarHBondContact O-N 2.78Å; I927-V930 WeakPolarHBondContact O-CB 3.22Å; I927-V930 PolarHBondContact O-N 3.32Å; I927-V930 VanDerWaalsContact O-N 3.17Å; I927-Y931 HydrophobicContact CG2-CD2 3.85Å; I927-Y931 HydrophobicContact CG2-CE2 3.75Å; I927-Y931 WeakPolarHBondContact O-CD2 3.27Å; I927-Y931 PolarHBondContact O-N 3.14Å
928Y96.1Very high92.4Very high59 Ų5947.1 Ų47.123%0.23123%0.227CC..Hα-helixtrans-56.9-46.1172.7155.7-108.6000111.9F852 Q853 I854 L914 S924 Q925 V930 Y931 D932F852-Y928 HydrophobicContact CB-CD1 4.48Å; F852-Y928 HydrophobicContact CB-CD2 3.32Å; F852-Y928 HydrophobicContact CB-CE2 3.72Å; F852-Y928 HydrophobicContact CB-CG 3.75Å; F852-Y928 AromaticContact CD1-CD1 3.74Å; F852-Y928 HydrophobicContact CD1-CD1 3.74Å; F852-Y928 HydrophobicContact CD1-CD2 4.12Å; F852-Y928 HydrophobicContact CD1-CE1 4.27Å; F852-Y928 AromaticContact CD1-CG 3.64Å; F852-Y928 HydrophobicContact CD1-CG 3.64Å; F852-Y928 HydrophobicContact CD2-CD2 4.43Å; F852-Y928 HydrophobicContact CD2-CG 4.13Å; F852-Y928 HydrophobicContact CE1-CD1 4.19Å; F852-Y928 HydrophobicContact CE1-CG 4.26Å; F852-Y928 HydrophobicContact CG-CD1 4.16Å; F852-Y928 AromaticContact CG-CD2 3.72Å; F852-Y928 HydrophobicContact CG-CD2 3.72Å; F852-Y928 HydrophobicContact CG-CE2 4.4Å; F852-Y928 AromaticContact CG-CG 3.57Å; F852-Y928 HydrophobicContact CG-CG 3.57Å; Q853-Y928 PolarHBondContact O-OH 3.31Å; I854-Y928 HydrophobicContact CG1-CD2 4.34Å; I854-Y928 HydrophobicContact CG1-CE2 4.04Å; L914-Y928 HydrophobicContact CD2-CD2 4.42Å; S924-Y928 PolarHBondContact O-N 2.95Å; Q925-Y928 WeakPolarHBondContact O-CB 3.34Å; Q925-Y928 PolarHBondContact O-N 2.99Å; Y928-V930 PolarHBondContact O-N 3.15Å; Y928-Y931 PolarHBondContact O-N 3.05Å; Y928-Y931 VanDerWaalsContact O-N 3.13Å; Y928-D932 HydrophobicContact CE2-CB 4.36Å; Y928-D932 PolarHBondContact O-N 3.37Å
929Q93.8Very high92.3Very high84 Ų8449.5 Ų49.539%0.39324%0.239SC..Hα-helixtrans-59.4-36.7177.2-69172.4-5.800112.5Q925 Y926 I927 S933Q925-Q929 WeakPolarHBondContact O-CG 3.12Å; Q925-Q929 PolarHBondContact O-N 2.76Å; Y926-Q929 PolarHBondContact O-N 3.17Å; I927-Q929 VanDerWaalsContact C-N 3.34Å; I927-Q929 PolarHBondContact O-N 2.78Å; Q929-S933 WeakPolarHBondContact O-CB 3.41Å; Q929-S933 PolarHBondContact O-N 2.91Å; Q929-S933 PolarHBondContact O-OG 3.41Å
930V94.1Very high92.2Very high8 Ų842.4 Ų42.45%0.04822%0.215CC..Hα-helixtrans-65.3-47.4174.2165.10000111.4L822 N823 F826 Y926 I927 Y928 D932 S933 I934L822-V930 HydrophobicContact CB-CG2 3.9Å; N823-V930 HydrophobicContact CB-CG1 3.69Å; N823-V930 HydrophobicContact CB-CG2 4.31Å; F826-V930 HydrophobicContact CE2-CG1 3.81Å; F826-V930 HydrophobicContact CZ-CB 4.36Å; F826-V930 HydrophobicContact CZ-CG1 3.77Å; F826-V930 HydrophobicContact CZ-CG2 4.44Å; Y926-V930 PolarHBondContact O-N 3.28Å; Y926-V930 VanDerWaalsContact O-N 3.16Å; I927-V930 WeakPolarHBondContact O-CB 3.22Å; I927-V930 PolarHBondContact O-N 3.32Å; I927-V930 VanDerWaalsContact O-N 3.17Å; Y928-V930 PolarHBondContact O-N 3.15Å; V930-D932 PolarHBondContact O-N 3.38Å; V930-S933 PolarHBondContact O-N 3.13Å; V930-I934 HydrophobicContact CG1-CD1 3.45Å; V930-I934 VanDerWaalsContact CG1-CD1 3.45Å; V930-I934 HydrophobicContact CG1-CG1 4.28Å; V930-I934 WeakPolarHBondContact O-CB 3.39Å; V930-I934 VanDerWaalsContact O-CG1 3.29Å; V930-I934 WeakPolarHBondContact O-CG1 3.23Å; V930-I934 PolarHBondContact O-N 2.73Å
931Y95.5Very high92.2Very high0 Ų043.1 Ų43.10%021%0.213CC..Hα-helixtrans-59.4-46.6176.3-91.1-112.8000111.5I854 L868 V873 Q889 L891 A901 L914 I927 Y928 S933 I934 L935I854-Y931 HydrophobicContact CD1-CD1 4.46Å; L868-Y931 HydrophobicContact CD1-CD1 4.15Å; L868-Y931 HydrophobicContact CD1-CE1 3.75Å; L868-Y931 HydrophobicContact CD2-CD1 3.99Å; L868-Y931 HydrophobicContact CD2-CE1 3.99Å; L868-Y931 HydrophobicContact CD2-CG 4.32Å; V873-Y931 HydrophobicContact CG1-CE2 4.34Å; V873-Y931 WeakPolarHBondContact CG1-OH 3.38Å; Q889-Y931 VanDerWaalsContact OE1-CE1 3.27Å; Q889-Y931 PolarHBondContact OE1-OH 3.13Å; L891-Y931 HydrophobicContact CD2-CE2 4.01Å; A901-Y931 VanDerWaalsContact CB-OH 3.31Å; A901-Y931 WeakPolarHBondContact CB-OH 3.18Å; L914-Y931 HydrophobicContact CD1-CD1 3.86Å; L914-Y931 HydrophobicContact CD1-CE1 3.73Å; L914-Y931 HydrophobicContact CD1-CG 4.48Å; L914-Y931 HydrophobicContact CD2-CD1 3.86Å; L914-Y931 HydrophobicContact CD2-CD2 4.24Å; L914-Y931 HydrophobicContact CD2-CE1 4.44Å; L914-Y931 HydrophobicContact CD2-CG 3.72Å; I927-Y931 HydrophobicContact CG2-CD2 3.85Å; I927-Y931 HydrophobicContact CG2-CE2 3.75Å; I927-Y931 WeakPolarHBondContact O-CD2 3.27Å; I927-Y931 PolarHBondContact O-N 3.14Å; Y928-Y931 PolarHBondContact O-N 3.05Å; Y928-Y931 VanDerWaalsContact O-N 3.13Å; Y931-S933 VanDerWaalsContact C-N 3.32Å; Y931-S933 PolarHBondContact O-N 3.26Å; Y931-I934 PolarHBondContact O-N 3.28Å; Y931-L935 WeakPolarHBondContact O-CB 3.46Å; Y931-L935 VanDerWaalsContact O-CG 3.26Å; Y931-L935 WeakPolarHBondContact O-CG 3.31Å; Y931-L935 PolarHBondContact O-N 3.27Å
932D94.4Very high92.3Very high29 Ų2943.2 Ų43.216%0.15521%0.209CC..Hα-helixtrans-58.7-44.8177.8-168.668.1000111.3Y928 V930 K936Y928-D932 HydrophobicContact CE2-CB 4.36Å; Y928-D932 PolarHBondContact O-N 3.37Å; V930-D932 PolarHBondContact O-N 3.38Å; D932-K936 WeakPolarHBondContact O-CB 3.16Å; D932-K936 WeakPolarHBondContact O-CG 3.14Å; D932-K936 PolarHBondContact O-N 3.43Å; D932-K936 VanDerWaalsContact O-N 3.14Å; D932-K936 WeakPolarHBondContact OD1-CE 3.47Å; D932-K936 IonicContact OD1-NZ 2.68Å; D932-K936 PolarHBondContact OD1-NZ 2.62Å; D932-K936 IonicContact OD2-NZ 2.79Å; D932-K936 PolarHBondContact OD2-NZ 3.15Å
933S91.4Very high92.5Very high38 Ų3839.3 Ų39.327%0.26619%0.192SC..Hα-helixtrans-66.1-43.4179.4-58.30000113.1Q929 V930 Y931 N937Q929-S933 WeakPolarHBondContact O-CB 3.41Å; Q929-S933 PolarHBondContact O-N 2.91Å; Q929-S933 PolarHBondContact O-OG 3.41Å; V930-S933 PolarHBondContact O-N 3.13Å; Y931-S933 VanDerWaalsContact C-N 3.32Å; Y931-S933 PolarHBondContact O-N 3.26Å; S933-N937 PolarHBondContact O-N 2.76Å; S933-N937 PolarHBondContact O-ND2 2.8Å
934I92.2Very high92.4Very high2 Ų241.6 Ų41.61%0.0120%0.203CC..Hα-helixtrans-69.3-35.1-179.7-69.2167000111.6Y707 N823 K867 L868 N871 V930 Y931Y707-I934 HydrophobicContact CD1-CG1 4.23Å; Y707-I934 HydrophobicContact CG-CG1 4.2Å; N823-I934 HydrophobicContact CB-CD1 4.39Å; K867-I934 HydrophobicContact CB-CG2 4.2Å; L868-I934 HydrophobicContact CD2-CB 4.48Å; L868-I934 HydrophobicContact CD2-CD1 4.36Å; L868-I934 HydrophobicContact CD2-CG2 4.03Å; N871-I934 HydrophobicContact CB-CD1 3.66Å; V930-I934 HydrophobicContact CG1-CD1 3.45Å; V930-I934 VanDerWaalsContact CG1-CD1 3.45Å; V930-I934 HydrophobicContact CG1-CG1 4.28Å; V930-I934 WeakPolarHBondContact O-CB 3.39Å; V930-I934 VanDerWaalsContact O-CG1 3.29Å; V930-I934 WeakPolarHBondContact O-CG1 3.23Å; V930-I934 PolarHBondContact O-N 2.73Å; Y931-I934 PolarHBondContact O-N 3.28Å
935L92.1Very high92.2Very high4 Ų444.8 Ų44.82%0.02122%0.218CC..Hα-helixtrans-82.3-27.6-176.2-64-175.2000112.7I854 L859 V864 L868 L903 Y912 Y931I854-L935 HydrophobicContact CD1-CD1 3.86Å; L859-L935 HydrophobicContact CD1-CD2 4.42Å; L859-L935 WeakPolarHBondContact CD1-O 3.43Å; V864-L935 HydrophobicContact CB-CD2 4.35Å; V864-L935 HydrophobicContact CG1-CD1 4.41Å; V864-L935 HydrophobicContact CG1-CD2 3.92Å; V864-L935 HydrophobicContact CG2-CD2 4.18Å; L868-L935 HydrophobicContact CD1-CD2 4.32Å; L868-L935 HydrophobicContact CD2-CD2 4.45Å; L868-L935 HydrophobicContact CG-CD2 4.12Å; L903-L935 HydrophobicContact CD2-CD1 4.26Å; Y912-L935 HydrophobicContact CD2-CD1 4.38Å; Y931-L935 WeakPolarHBondContact O-CB 3.46Å; Y931-L935 VanDerWaalsContact O-CG 3.26Å; Y931-L935 WeakPolarHBondContact O-CG 3.31Å; Y931-L935 PolarHBondContact O-N 3.27Å
936K87.4Confident92.1Very high106 Ų10639.6 Ų39.646%0.46119%0.194SC..Hα-helixtrans-81.8-20.4177.1-73.3176.9177163.80114.8K855 D932K855-K936 WeakPolarHBondContact O-CE 3.36Å; D932-K936 WeakPolarHBondContact O-CB 3.16Å; D932-K936 WeakPolarHBondContact O-CG 3.14Å; D932-K936 PolarHBondContact O-N 3.43Å; D932-K936 VanDerWaalsContact O-N 3.14Å; D932-K936 WeakPolarHBondContact OD1-CE 3.47Å; D932-K936 IonicContact OD1-NZ 2.68Å; D932-K936 PolarHBondContact OD1-NZ 2.62Å; D932-K936 IonicContact OD2-NZ 2.79Å; D932-K936 PolarHBondContact OD2-NZ 3.15Å
937N77.4Confident91.9Very high126 Ų12641.5 Ų41.567%0.67421%0.205SC*.  trans-101.70171.7-67.8-81.6000109.3Y707 K867 S933Y707-N937 HydrophobicContact CD2-CB 3.96Å; Y707-N937 HydrophobicContact CE2-CB 3.97Å; Y707-N937 WeakPolarHBondContact CE2-ND2 3.13Å; K867-N937 PolarHBondContact NZ-O 3.15Å; K867-N937 PolarHBondContact NZ-OXT 3.18Å; S933-N937 PolarHBondContact O-N 2.76Å; S933-N937 PolarHBondContact O-ND2 2.8Å

Retrieved 937 of 937 residues in 175.9 ms (Link to these results)