A0A087X683_POEFO Loading...

Zgc:101858

AlphaFold DB , UniProt , Accession A0A087X683, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 265 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
1M37.1Very low49.3Very low246 Ų246128.6 Ų128.6100%1.21271%0.713SS**  091.40-77.8169.2169.700107.3
2A33Very low53.1Low106 Ų106117.9 Ų117.988%0.87665%0.653SS**  trans-70.3126.3166.800000106.5
3S38.9Very low56.3Low88 Ų88125.3 Ų125.362%0.61567%0.665SS**  trans-52.1144.6178.547.80000111.2D5 A6S3-D5 PolarHBondContact O-N 3.04Å; S3-A6 PolarHBondContact O-N 2.83Å
4E43.9Very low58.9Low209 Ų209119.5 Ų119.598%0.97765%0.65SS**SBendtrans-58.12.3171.9-70.1179.2141.200114.4
5D46.1Very low61.5Low145 Ų145114.4 Ų114.478%0.77562%0.619SS**  trans-98.332.9177.5-97.3-20.4000113.5S3 F7S3-D5 PolarHBondContact O-N 3.04Å; D5-F7 VanDerWaalsContact C-N 3.31Å; D5-F7 PolarHBondContact O-N 3.36Å
6A43.5Very low63.8Low87 Ų87107.3 Ų107.372%0.71958%0.581SS**SBendtrans-64.795.2164.700000108.5S3 K8S3-A6 PolarHBondContact O-N 2.83Å; A6-K8 PolarHBondContact O-N 3.09Å
7F43.4Very low65.9Low191 Ų191101.1 Ų101.184%0.83855%0.547SS*.  trans11.694.9168.4-87.7-99.7000114.2D5 V9D5-F7 VanDerWaalsContact C-N 3.31Å; D5-F7 PolarHBondContact O-N 3.36Å; F7-V9 HydrophobicContact CB-CG2 4.34Å; F7-V9 PolarHBondContact O-N 3.35Å
8K51Low67.7Low182 Ų18295.4 Ų95.479%0.79152%0.517SS*.  trans-65.875.4164.1-86.5179.5176.71690109.2A6 S10A6-K8 PolarHBondContact O-N 3.09Å; K8-S10 PolarHBondContact O-N 2.93Å
9V53.6Low69.3Low94 Ų9490.4 Ų90.457%0.5749%0.49SS*.THydrogen-bonded Turntrans-56.1111.6165.2-178.50000105.5F7 F239 A244F7-V9 HydrophobicContact CB-CG2 4.34Å; F7-V9 PolarHBondContact O-N 3.35Å; V9-F239 HydrophobicContact CG1-CD2 4.5Å; V9-A244 HydrophobicContact CG1-CB 4.32Å
10S66.1Low70.8Confident18 Ų1886 Ų8613%0.12647%0.466CS..THydrogen-bonded Turntrans79.344.4178.283.20000120K8 L37K8-S10 PolarHBondContact O-N 2.93Å; S10-L37 WeakPolarHBondContact O-CD1 3.34Å; S10-L37 VanDerWaalsContact O-CD2 3.31Å; S10-L37 WeakPolarHBondContact O-CD2 3.41Å
11S85.9Confident72.1Confident49 Ų4982.6 Ų82.634%0.34345%0.451SS..  trans-68.9137.8158.7-171.10000111.3R13S11-R13 PolarHBondContact OG-N 3.27Å
12L94.8Very high75Confident0 Ų070.9 Ų70.90%039%0.393CS..  trans-118.219.9171.7-63.7175.7000111.4G14 K15 F34 L37 A39 A241L12-G14 PolarHBondContact O-N 3Å; L12-G14 VanDerWaalsContact O-N 3.17Å; L12-K15 HydrophobicContact CD2-CD 4.11Å; L12-K15 WeakPolarHBondContact O-CB 3.1Å; L12-K15 PolarHBondContact O-N 3.39Å; L12-F34 HydrophobicContact CD1-CB 4.22Å; L12-F34 HydrophobicContact CD1-CD1 3.55Å; L12-F34 HydrophobicContact CD1-CD2 3.56Å; L12-F34 HydrophobicContact CD1-CE1 3.65Å; L12-F34 HydrophobicContact CD1-CE2 3.66Å; L12-F34 HydrophobicContact CD1-CG 3.49Å; L12-F34 VanDerWaalsContact CD1-CG 3.49Å; L12-F34 HydrophobicContact CD1-CZ 3.7Å; L12-L37 CarbonylContact C-O 3.59Å; L12-L37 HydrophobicContact CB-CB 4.06Å; L12-L37 HydrophobicContact CD1-CB 4.3Å; L12-L37 HydrophobicContact CD1-CD1 4.09Å; L12-L37 HydrophobicContact CG-CB 4.23Å; L12-L37 HydrophobicContact CG-CD1 4.38Å; L12-L37 PolarHBondContact N-O 3.13Å; L12-A39 HydrophobicContact CB-CB 3.86Å; L12-A39 WeakPolarHBondContact O-CA 3.43Å; L12-A241 HydrophobicContact CD2-CB 4.31Å
13R94.4Very high78.1Confident214 Ų21466.6 Ų66.681%0.80836%0.357SS*.THydrogen-bonded Turntrans-56.6122-172.7-173.1176.7-178.41801.5111S11 K15 L37 G38S11-R13 PolarHBondContact OG-N 3.27Å; R13-K15 PolarHBondContact O-N 3.29Å; R13-L37 PolarHBondContact N-O 3.26Å; R13-G38 WeakPolarHBondContact CA-O 3.5Å
14G92.9Very high80.8Confident44 Ų4463.9 Ų63.945%0.45434%0.338SS..THydrogen-bonded Turntrans75.7-1177.400000115.2L12 G38L12-G14 PolarHBondContact O-N 3Å; L12-G14 VanDerWaalsContact O-N 3.17Å; G14-G38 PolarHBondContact N-O 3.13Å
15K97.4Very high83.3Confident43 Ų4355.1 Ų55.119%0.18730%0.304CS..  trans-75.7138.3170.1-63.8-161.6-178.4-157.60109.6L12 R13 A39 L40 D94 V95 D243L12-K15 HydrophobicContact CD2-CD 4.11Å; L12-K15 WeakPolarHBondContact O-CB 3.1Å; L12-K15 PolarHBondContact O-N 3.39Å; R13-K15 PolarHBondContact O-N 3.29Å; K15-A39 WeakPolarHBondContact O-CA 3.5Å; K15-L40 PolarHBondContact O-N 3.3Å; K15-D94 HydrophobicContact CB-CB 3.86Å; K15-D94 HydrophobicContact CD-CB 4.37Å; K15-D94 HydrophobicContact CG-CB 4.25Å; K15-V95 HydrophobicContact CD-CG2 4.37Å; K15-D243 IonicContact NZ-OD1 3.31Å; K15-D243 PolarHBondContact NZ-OD1 2.87Å; K15-D243 IonicContact NZ-OD2 3.69Å
16V98.8Very high85.8Confident1 Ų149.5 Ų49.51%0.00627%0.273CS..EExtended strand (participates in β ladder)trans-91.4119.7172.7-179.50000109.2L40 T86 F90 R92 D94 V95V16-L40 CarbonylContact C-O 3.42Å; V16-L40 WeakPolarHBondContact CA-O 3.15Å; V16-L40 HydrophobicContact CG2-CB 4.19Å; V16-L40 HydrophobicContact CG2-CD1 4.19Å; V16-T86 HydrophobicContact CG1-CG2 4.29Å; V16-F90 HydrophobicContact CB-CB 4.4Å; V16-F90 HydrophobicContact CG1-CB 3.8Å; V16-F90 HydrophobicContact CG1-CD2 3.61Å; V16-F90 HydrophobicContact CG1-CE2 4.35Å; V16-F90 HydrophobicContact CG1-CG 3.81Å; V16-F90 HydrophobicContact CG2-CB 3.69Å; V16-F90 HydrophobicContact CG2-CD1 4.49Å; V16-F90 HydrophobicContact CG2-CG 4.1Å; V16-R92 HydrophobicContact CB-CG 4.12Å; V16-R92 WeakPolarHBondContact CG1-O 3.14Å; V16-R92 HydrophobicContact CG2-CG 3.51Å; V16-D94 PolarHBondContact N-OD2 3.27Å; V16-D94 WeakPolarHBondContact O-CA 3.11Å; V16-D94 WeakPolarHBondContact O-CB 3.45Å; V16-D94 PolarHBondContact O-N 3.36Å; V16-V95 PolarHBondContact O-N 2.81Å
17A98.8Very high88.5Confident1 Ų145.3 Ų45.31%0.00824%0.239CC..EExtended strand (participates in β ladder)trans-115.9127.1-179.700000111.6F34 L40 L41 A42 V95A17-F34 HydrophobicContact CB-CD2 3.63Å; A17-F34 HydrophobicContact CB-CE2 3.89Å; A17-L40 PolarHBondContact N-O 3.49Å; A17-L41 HydrophobicContact CB-CD2 4.02Å; A17-A42 PolarHBondContact O-N 3.49Å; A17-V95 CarbonylContact C-O 3.57Å; A17-V95 VanDerWaalsContact CA-O 3.29Å; A17-V95 WeakPolarHBondContact CA-O 3.42Å; A17-V95 HydrophobicContact CB-CB 3.95Å
18L98.9Very high91.1Very high0 Ų036.7 Ų36.70%020%0.203CC..EExtended strand (participates in β ladder)trans-96.3118.3167.3173.557.3000109.2A42 T82 L93 V95 L96 V97 L130L18-A42 WeakPolarHBondContact CA-O 3.37Å; L18-A42 HydrophobicContact CB-CB 4.5Å; L18-A42 HydrophobicContact CD1-CB 3.84Å; L18-T82 HydrophobicContact CD1-CG2 3.67Å; L18-T82 HydrophobicContact CD2-CG2 3.93Å; L18-T82 HydrophobicContact CG-CG2 4.41Å; L18-L93 HydrophobicContact CB-CD1 3.73Å; L18-V95 PolarHBondContact N-O 3.4Å; L18-L96 HydrophobicContact CB-CD1 4.27Å; L18-L96 HydrophobicContact CD2-CD1 4Å; L18-L96 HydrophobicContact CG-CD1 4.03Å; L18-V97 PolarHBondContact O-N 2.94Å; L18-L130 HydrophobicContact CD2-CD1 4.23Å
19I98.9Very high93.3Very high0 Ų028.6 Ų28.60%017%0.171CC..EExtended strand (participates in β ladder)trans-117.9120.1-179.5-53.9174.4000109.1A22 T30 F34 L41 A42 L43 N44 V97I19-A22 HydrophobicContact CB-CB 4.5Å; I19-A22 HydrophobicContact CG2-CB 4.22Å; I19-T30 HydrophobicContact CD1-CG2 4.11Å; I19-F34 HydrophobicContact CD1-CB 4.4Å; I19-F34 HydrophobicContact CD1-CD2 3.98Å; I19-F34 HydrophobicContact CD1-CG 4.22Å; I19-L41 HydrophobicContact CD1-CD2 4.07Å; I19-A42 PolarHBondContact N-O 3.48Å; I19-L43 HydrophobicContact CB-CD2 4.07Å; I19-L43 HydrophobicContact CD1-CD2 4.28Å; I19-L43 HydrophobicContact CG1-CD2 4.49Å; I19-N44 PolarHBondContact O-N 2.95Å; I19-V97 HydrophobicContact CB-CB 4.43Å; I19-V97 HydrophobicContact CG1-CB 4.13Å; I19-V97 HydrophobicContact CG1-CG2 4.19Å; I19-V97 HydrophobicContact CG2-CB 4.23Å; I19-V97 HydrophobicContact CG2-CG1 4.4Å
20T98.8Very high95.5Very high2 Ų224.1 Ų24.11%0.01214%0.144CC..SBendtrans-93.7156.617562.90000111.3A22 N44 L73 V97 N98 S99 A100 L130T20-A22 PolarHBondContact O-N 3.45Å; T20-N44 CarbonylContact C-O 3.53Å; T20-N44 HydrophobicContact CG2-CB 4.45Å; T20-L73 HydrophobicContact CG2-CD1 3.54Å; T20-V97 PolarHBondContact N-O 3.22Å; T20-V97 PolarHBondContact OG1-O 2.93Å; T20-N98 WeakPolarHBondContact OG1-CA 3.41Å; T20-S99 VanDerWaalsContact O-CB 3.27Å; T20-S99 WeakPolarHBondContact O-CB 3.34Å; T20-S99 PolarHBondContact OG1-N 2.89Å; T20-A100 PolarHBondContact OG1-N 2.91Å; T20-L130 HydrophobicContact CG2-CD2 3.31Å
21G97.9Very high97Very high15 Ų1523.3 Ų23.316%0.15514%0.138CC..SBendtrans64.523.5-174.400000112.6S23 S24 N44G21-S23 PolarHBondContact O-N 3.34Å; G21-S24 PolarHBondContact O-N 3.07Å; G21-N44 PolarHBondContact N-O 2.8Å
22A98.3Very high97.6Very high0 Ų022.1 Ų22.10%013%0.129CC..THydrogen-bonded Turntrans-71.4-9.8-172.500000114I19 T20 S24 A28 L43 N44 L51I19-A22 HydrophobicContact CB-CB 4.5Å; I19-A22 HydrophobicContact CG2-CB 4.22Å; T20-A22 PolarHBondContact O-N 3.45Å; A22-S24 VanDerWaalsContact C-N 3.33Å; A22-S24 PolarHBondContact O-N 3.07Å; A22-A28 VanDerWaalsContact O-CA 3.29Å; A22-A28 WeakPolarHBondContact O-CA 3.49Å; A22-A28 WeakPolarHBondContact O-CB 3.21Å; A22-L43 HydrophobicContact CB-CB 3.82Å; A22-L43 HydrophobicContact CB-CD2 3.98Å; A22-L43 HydrophobicContact CB-CG 4.35Å; A22-N44 PolarHBondContact N-O 3.11Å; A22-L51 HydrophobicContact CB-CD1 3.83Å
23S97Very high97.7Very high16 Ų1623 Ų2311%0.11213%0.133CC..THydrogen-bonded Turntrans-80.5-7.1179.467.10000114G21 N50G21-S23 PolarHBondContact O-N 3.34Å; S23-N50 WeakPolarHBondContact O-CB 3.34Å
24S96.4Very high97.9Very high31 Ų3112.8 Ų12.822%0.21710%0.095CC..SBendtrans-161.5163.4177.960.80000114G21 A22 G27 A28 R203G21-S24 PolarHBondContact O-N 3.07Å; A22-S24 VanDerWaalsContact C-N 3.33Å; A22-S24 PolarHBondContact O-N 3.07Å; S24-G27 PolarHBondContact O-N 3.25Å; S24-A28 PolarHBondContact O-N 3.32Å; S24-R203 PolarHBondContact OG-NH1 3.1Å
25G97.3Very high98.1Very high25 Ų2510.9 Ų10.926%0.2588%0.075SC..Hα-helixtrans56-135169.100000113.8G27 A28 G29G25-G27 VanDerWaalsContact C-N 3.35Å; G25-G27 PolarHBondContact O-N 3.26Å; G25-A28 PolarHBondContact O-N 3.31Å; G25-G29 PolarHBondContact O-N 3.45Å
26I98.5Very high98Very high26 Ų2615.1 Ų15.113%0.1339%0.093CC..Hα-helixtrans-59.3-42.7-175.4-64.3165.8000111.9G29 T30 V148 P193 I196 V233 I237I26-G29 PolarHBondContact O-N 3.11Å; I26-T30 VanDerWaalsContact O-CB 3.29Å; I26-T30 WeakPolarHBondContact O-CB 3.23Å; I26-T30 PolarHBondContact O-N 3Å; I26-T30 PolarHBondContact O-OG1 2.96Å; I26-V148 HydrophobicContact CD1-CG1 4.02Å; I26-V148 HydrophobicContact CG2-CG1 4.32Å; I26-V148 HydrophobicContact CG2-CG2 4.22Å; I26-P193 HydrophobicContact CD1-CB 4.39Å; I26-P193 HydrophobicContact CD1-CG 3.95Å; I26-I196 HydrophobicContact CD1-CG1 4.46Å; I26-V233 HydrophobicContact CD1-CG1 4.22Å; I26-V233 HydrophobicContact CD1-CG2 4.44Å; I26-V233 HydrophobicContact CG1-CB 4.44Å; I26-V233 HydrophobicContact CG1-CG1 4.38Å; I26-V233 HydrophobicContact CG2-CB 4.27Å; I26-V233 HydrophobicContact CG2-CG1 3.68Å; I26-I237 HydrophobicContact CG2-CD1 3.7Å
27G98.5Very high97.9Very high0 Ų016.9 Ų16.90%010%0.102CC..Hα-helixtrans-62.4-43178.200000112.6S24 G25 T30 S31 S99S24-G27 PolarHBondContact O-N 3.25Å; G25-G27 VanDerWaalsContact C-N 3.35Å; G25-G27 PolarHBondContact O-N 3.26Å; G27-T30 PolarHBondContact O-N 2.73Å; G27-S31 WeakPolarHBondContact O-CB 3.25Å; G27-S31 PolarHBondContact O-N 3.1Å; G27-S31 PolarHBondContact O-OG 2.97Å; G27-S99 WeakPolarHBondContact CA-OG 3.38Å; G27-S99 PolarHBondContact N-OG 3.36Å
28A98.4Very high97.7Very high9 Ų918.3 Ų18.37%0.07412%0.117CC..Hα-helixtrans-62.4-50.3175.800000112.4A22 S24 G25 T30 S31 V32 I54A22-A28 VanDerWaalsContact O-CA 3.29Å; A22-A28 WeakPolarHBondContact O-CA 3.49Å; A22-A28 WeakPolarHBondContact O-CB 3.21Å; S24-A28 PolarHBondContact O-N 3.32Å; G25-A28 PolarHBondContact O-N 3.31Å; A28-T30 VanDerWaalsContact C-N 3.32Å; A28-T30 PolarHBondContact O-N 3.24Å; A28-S31 WeakPolarHBondContact O-CB 3.38Å; A28-S31 PolarHBondContact O-N 3.33Å; A28-S31 VanDerWaalsContact O-N 3.09Å; A28-V32 PolarHBondContact O-N 3.03Å; A28-V32 VanDerWaalsContact O-N 3.11Å; A28-I54 HydrophobicContact CB-CD1 3.75Å; A28-I54 HydrophobicContact CB-CG1 3.85Å
29G98.3Very high97.6Very high13 Ų1318.5 Ų18.513%0.13412%0.118CC..Hα-helixtrans-63.3-38.3178.500000112.9G25 I26 S31 V32 L33G25-G29 PolarHBondContact O-N 3.45Å; I26-G29 PolarHBondContact O-N 3.11Å; G29-S31 VanDerWaalsContact C-N 3.29Å; G29-S31 PolarHBondContact O-N 3.16Å; G29-V32 PolarHBondContact O-N 2.74Å; G29-L33 WeakPolarHBondContact O-CB 3.4Å; G29-L33 PolarHBondContact O-N 3.03Å
30T98.6Very high97.6Very high0 Ų021.3 Ų21.30%013%0.133CC..Hα-helixtrans-61-39.5173-56.20000111.4I19 I26 G27 A28 L33 F34 V97 I237I19-T30 HydrophobicContact CD1-CG2 4.11Å; I26-T30 VanDerWaalsContact O-CB 3.29Å; I26-T30 WeakPolarHBondContact O-CB 3.23Å; I26-T30 PolarHBondContact O-N 3Å; I26-T30 PolarHBondContact O-OG1 2.96Å; G27-T30 PolarHBondContact O-N 2.73Å; A28-T30 VanDerWaalsContact C-N 3.32Å; A28-T30 PolarHBondContact O-N 3.24Å; T30-L33 PolarHBondContact O-N 2.85Å; T30-F34 HydrophobicContact CG2-CD1 3.73Å; T30-F34 HydrophobicContact CG2-CE1 3.55Å; T30-F34 HydrophobicContact CG2-CG 4.36Å; T30-F34 HydrophobicContact CG2-CZ 4.04Å; T30-F34 WeakPolarHBondContact O-CB 3.34Å; T30-F34 VanDerWaalsContact O-CD1 3.28Å; T30-F34 WeakPolarHBondContact O-CD1 3.05Å; T30-F34 WeakPolarHBondContact O-CG 3.35Å; T30-F34 PolarHBondContact O-N 3.47Å; T30-V97 HydrophobicContact CG2-CG1 4.48Å; T30-I237 HydrophobicContact CG2-CB 4.28Å; T30-I237 HydrophobicContact CG2-CD1 4.38Å; T30-I237 HydrophobicContact CG2-CG2 3.69Å; T30-I237 WeakPolarHBondContact OG1-CD1 3.28Å
31S98.6Very high97.6Very high0 Ų021.4 Ų21.40%013%0.134CC..Hα-helixtrans-63.7-48.1179.4-56.30000111.3G27 A28 G29 L33 F34 A35 L41 L43G27-S31 WeakPolarHBondContact O-CB 3.25Å; G27-S31 PolarHBondContact O-N 3.1Å; G27-S31 PolarHBondContact O-OG 2.97Å; A28-S31 WeakPolarHBondContact O-CB 3.38Å; A28-S31 PolarHBondContact O-N 3.33Å; A28-S31 VanDerWaalsContact O-N 3.09Å; G29-S31 VanDerWaalsContact C-N 3.29Å; G29-S31 PolarHBondContact O-N 3.16Å; S31-L33 PolarHBondContact O-N 3.46Å; S31-F34 PolarHBondContact O-N 3.14Å; S31-A35 WeakPolarHBondContact O-CB 3.24Å; S31-A35 PolarHBondContact O-N 3.2Å; S31-L41 VanDerWaalsContact O-CD1 3.29Å; S31-L41 WeakPolarHBondContact O-CD1 3.37Å; S31-L43 WeakPolarHBondContact OG-CD2 3.48Å
32V98.2Very high97.6Very high24 Ų2420.7 Ų20.715%0.14513%0.126CC..Hα-helixtrans-63.7-40.7176.9177.20000111.4A28 G29 A35 K36 I54 Q57A28-V32 PolarHBondContact O-N 3.03Å; A28-V32 VanDerWaalsContact O-N 3.11Å; G29-V32 PolarHBondContact O-N 2.74Å; V32-A35 WeakPolarHBondContact O-CB 3.49Å; V32-A35 PolarHBondContact O-N 3.45Å; V32-K36 WeakPolarHBondContact O-CG 3.48Å; V32-K36 PolarHBondContact O-N 3.43Å; V32-K36 VanDerWaalsContact O-N 3.13Å; V32-I54 HydrophobicContact CG2-CG2 4.29Å; V32-Q57 HydrophobicContact CG2-CB 3.98Å
33L97.6Very high97.7Very high19 Ų1920.7 Ų20.710%0.09913%0.126CC..Hα-helixtrans-66.1-45.6176.5-178.761.1000111.8G29 T30 S31 A35 K36 L37 A234 H235 A238G29-L33 WeakPolarHBondContact O-CB 3.4Å; G29-L33 PolarHBondContact O-N 3.03Å; T30-L33 PolarHBondContact O-N 2.85Å; S31-L33 PolarHBondContact O-N 3.46Å; L33-A35 VanDerWaalsContact C-N 3.25Å; L33-A35 PolarHBondContact O-N 2.93Å; L33-K36 WeakPolarHBondContact O-CB 3.45Å; L33-K36 PolarHBondContact O-N 3.49Å; L33-K36 VanDerWaalsContact O-N 3.13Å; L33-L37 HydrophobicContact CD1-CD1 4.23Å; L33-L37 HydrophobicContact CD1-CG 4.31Å; L33-L37 HydrophobicContact CG-CD1 3.97Å; L33-L37 HydrophobicContact CG-CG 4.45Å; L33-L37 VanDerWaalsContact O-CG 3.3Å; L33-L37 WeakPolarHBondContact O-CG 3.26Å; L33-L37 PolarHBondContact O-N 3.2Å; L33-A234 HydrophobicContact CB-CB 4.34Å; L33-A234 VanDerWaalsContact CD2-C 3.41Å; L33-A234 HydrophobicContact CD2-CB 3.78Å; L33-A234 WeakPolarHBondContact CD2-O 3.37Å; L33-H235 HydrophobicContact CD2-CB 4.42Å; L33-A238 HydrophobicContact CD2-CB 4.02Å
34F97.8Very high97.8Very high0 Ų020.1 Ų20.10%012%0.122CC..Hα-helixtrans-62-35.9178.4-8435.2000111.6L12 A17 I19 T30 S31 L37 G38 A39 L41 V95 V97 I237 A238 A241L12-F34 HydrophobicContact CD1-CB 4.22Å; L12-F34 HydrophobicContact CD1-CD1 3.55Å; L12-F34 HydrophobicContact CD1-CD2 3.56Å; L12-F34 HydrophobicContact CD1-CE1 3.65Å; L12-F34 HydrophobicContact CD1-CE2 3.66Å; L12-F34 HydrophobicContact CD1-CG 3.49Å; L12-F34 VanDerWaalsContact CD1-CG 3.49Å; L12-F34 HydrophobicContact CD1-CZ 3.7Å; A17-F34 HydrophobicContact CB-CD2 3.63Å; A17-F34 HydrophobicContact CB-CE2 3.89Å; I19-F34 HydrophobicContact CD1-CB 4.4Å; I19-F34 HydrophobicContact CD1-CD2 3.98Å; I19-F34 HydrophobicContact CD1-CG 4.22Å; T30-F34 HydrophobicContact CG2-CD1 3.73Å; T30-F34 HydrophobicContact CG2-CE1 3.55Å; T30-F34 HydrophobicContact CG2-CG 4.36Å; T30-F34 HydrophobicContact CG2-CZ 4.04Å; T30-F34 WeakPolarHBondContact O-CB 3.34Å; T30-F34 VanDerWaalsContact O-CD1 3.28Å; T30-F34 WeakPolarHBondContact O-CD1 3.05Å; T30-F34 WeakPolarHBondContact O-CG 3.35Å; T30-F34 PolarHBondContact O-N 3.47Å; S31-F34 PolarHBondContact O-N 3.14Å; F34-L37 CarbonylContact O-C 3.57Å; F34-L37 PolarHBondContact O-N 3.27Å; F34-G38 PolarHBondContact O-N 2.84Å; F34-A39 HydrophobicContact CB-CB 4.08Å; F34-A39 HydrophobicContact CD2-CB 4.37Å; F34-A39 WeakPolarHBondContact O-CB 3.25Å; F34-A39 PolarHBondContact O-N 2.75Å; F34-L41 HydrophobicContact CB-CD2 3.79Å; F34-L41 HydrophobicContact CD2-CD2 4.39Å; F34-V95 HydrophobicContact CE2-CG1 3.97Å; F34-V95 HydrophobicContact CZ-CG1 4.46Å; F34-V97 HydrophobicContact CE2-CG2 4.08Å; F34-V97 HydrophobicContact CZ-CG2 4.1Å; F34-I237 HydrophobicContact CE1-CG2 4.02Å; F34-I237 HydrophobicContact CZ-CG2 3.9Å; F34-A238 HydrophobicContact CD1-CB 4.28Å; F34-A238 HydrophobicContact CE1-CB 3.77Å; F34-A241 HydrophobicContact CE2-CB 4.29Å; F34-A241 HydrophobicContact CZ-CB 3.74Å
35A97.3Very high97.8Very high3 Ų318.8 Ų18.83%0.02511%0.113CC..Hα-helixtrans-58.2-50.3171.600000111.6S31 V32 L33 L37 G38 L41 C58 A63S31-A35 WeakPolarHBondContact O-CB 3.24Å; S31-A35 PolarHBondContact O-N 3.2Å; V32-A35 WeakPolarHBondContact O-CB 3.49Å; V32-A35 PolarHBondContact O-N 3.45Å; L33-A35 VanDerWaalsContact C-N 3.25Å; L33-A35 PolarHBondContact O-N 2.93Å; A35-L37 PolarHBondContact O-N 3.45Å; A35-G38 PolarHBondContact O-N 3.12Å; A35-L41 HydrophobicContact CB-CD1 3.93Å; A35-C58 HydrophobicContact CB-CB 3.6Å; A35-A63 HydrophobicContact CB-CB 3.62Å
36K95.6Very high97.8Very high132 Ų13224.6 Ų24.657%0.57413%0.127SC*.Hα-helixtrans-58.3-31.4175-69172.9-179.3178.10112.9V32 L33 G38 C61V32-K36 WeakPolarHBondContact O-CG 3.48Å; V32-K36 PolarHBondContact O-N 3.43Å; V32-K36 VanDerWaalsContact O-N 3.13Å; L33-K36 WeakPolarHBondContact O-CB 3.45Å; L33-K36 PolarHBondContact O-N 3.49Å; L33-K36 VanDerWaalsContact O-N 3.13Å; K36-G38 VanDerWaalsContact C-N 3.28Å; K36-C61 WeakPolarHBondContact CE-SG 3.45Å; K36-C61 HydrophobicContact CG-CB 3.68Å
37L95.4Very high97.7Very high39 Ų3926.3 Ų26.320%0.20414%0.137CC..THydrogen-bonded Turntrans-84.70.7178.9-62.5174.5000113.7S10 L12 R13 L33 F34 A35 A238S10-L37 WeakPolarHBondContact O-CD1 3.34Å; S10-L37 VanDerWaalsContact O-CD2 3.31Å; S10-L37 WeakPolarHBondContact O-CD2 3.41Å; L12-L37 CarbonylContact C-O 3.59Å; L12-L37 HydrophobicContact CB-CB 4.06Å; L12-L37 HydrophobicContact CD1-CB 4.3Å; L12-L37 HydrophobicContact CD1-CD1 4.09Å; L12-L37 HydrophobicContact CG-CB 4.23Å; L12-L37 HydrophobicContact CG-CD1 4.38Å; L12-L37 PolarHBondContact N-O 3.13Å; R13-L37 PolarHBondContact N-O 3.26Å; L33-L37 HydrophobicContact CD1-CD1 4.23Å; L33-L37 HydrophobicContact CD1-CG 4.31Å; L33-L37 HydrophobicContact CG-CD1 3.97Å; L33-L37 HydrophobicContact CG-CG 4.45Å; L33-L37 VanDerWaalsContact O-CG 3.3Å; L33-L37 WeakPolarHBondContact O-CG 3.26Å; L33-L37 PolarHBondContact O-N 3.2Å; F34-L37 CarbonylContact O-C 3.57Å; F34-L37 PolarHBondContact O-N 3.27Å; A35-L37 PolarHBondContact O-N 3.45Å; L37-A238 HydrophobicContact CD1-CB 3.64Å
38G95.3Very high97.7Very high31 Ų3129.5 Ų29.532%0.3216%0.156SC..THydrogen-bonded Turntrans86.717.217300000115.4R13 G14 F34 A35 K36R13-G38 WeakPolarHBondContact CA-O 3.5Å; G14-G38 PolarHBondContact N-O 3.13Å; F34-G38 PolarHBondContact O-N 2.84Å; A35-G38 PolarHBondContact O-N 3.12Å; K36-G38 VanDerWaalsContact C-N 3.28Å
39A97.3Very high97.6Very high3 Ų336.5 Ų36.53%0.02519%0.187CC..  trans-74150175.500000111.7L12 K15 F34 L41L12-A39 HydrophobicContact CB-CB 3.86Å; L12-A39 WeakPolarHBondContact O-CA 3.43Å; K15-A39 WeakPolarHBondContact O-CA 3.5Å; F34-A39 HydrophobicContact CB-CB 4.08Å; F34-A39 HydrophobicContact CD2-CB 4.37Å; F34-A39 WeakPolarHBondContact O-CB 3.25Å; F34-A39 PolarHBondContact O-N 2.75Å; A39-L41 HydrophobicContact CB-CD2 4.06Å
40L98.5Very high97.6Very high60 Ų6038.6 Ų38.631%0.31420%0.195SC..EExtended strand (participates in β ladder)trans-89.2129.5167-61.6174.4000108.1K15 V16 A17 A64 F90K15-L40 PolarHBondContact O-N 3.3Å; V16-L40 CarbonylContact C-O 3.42Å; V16-L40 WeakPolarHBondContact CA-O 3.15Å; V16-L40 HydrophobicContact CG2-CB 4.19Å; V16-L40 HydrophobicContact CG2-CD1 4.19Å; A17-L40 PolarHBondContact N-O 3.49Å; L40-A64 HydrophobicContact CD2-CB 3.92Å; L40-F90 HydrophobicContact CB-CD1 4.22Å; L40-F90 HydrophobicContact CB-CE1 3.99Å; L40-F90 HydrophobicContact CD1-CD1 4.22Å
41L98.8Very high97.6Very high4 Ų438.6 Ų38.62%0.02120%0.195CC..EExtended strand (participates in β ladder)trans-113.2133.2-165.6-61.2-179.6000112.6A17 I19 S31 F34 A35 A39 L43 C58 P66 L67 F90A17-L41 HydrophobicContact CB-CD2 4.02Å; I19-L41 HydrophobicContact CD1-CD2 4.07Å; S31-L41 VanDerWaalsContact O-CD1 3.29Å; S31-L41 WeakPolarHBondContact O-CD1 3.37Å; F34-L41 HydrophobicContact CB-CD2 3.79Å; F34-L41 HydrophobicContact CD2-CD2 4.39Å; A35-L41 HydrophobicContact CB-CD1 3.93Å; A39-L41 HydrophobicContact CB-CD2 4.06Å; L41-L43 HydrophobicContact CB-CD2 3.97Å; L41-L43 HydrophobicContact CB-CG 4.24Å; L41-L43 HydrophobicContact CD1-CD2 4.36Å; L41-C58 HydrophobicContact CD1-CB 4.37Å; L41-P66 HydrophobicContact CB-CB 3.93Å; L41-P66 HydrophobicContact CB-CG 4.22Å; L41-P66 HydrophobicContact CD1-CG 4.39Å; L41-P66 CarbonylContact O-C 3.03Å; L41-P66 WeakPolarHBondContact O-CA 3.24Å; L41-L67 PolarHBondContact O-N 3.35Å; L41-F90 WeakPolarHBondContact O-CZ 3.31Å
42A98.9Very high97.6Very high0 Ų043.4 Ų43.40%022%0.218CC..EExtended strand (participates in β ladder)trans-109.3124.515600000108.5A17 L18 I19 L67 T86 F90A17-A42 PolarHBondContact O-N 3.49Å; L18-A42 WeakPolarHBondContact CA-O 3.37Å; L18-A42 HydrophobicContact CB-CB 4.5Å; L18-A42 HydrophobicContact CD1-CB 3.84Å; I19-A42 PolarHBondContact N-O 3.48Å; A42-L67 CarbonylContact C-O 3.56Å; A42-L67 WeakPolarHBondContact CA-O 3.38Å; A42-L67 HydrophobicContact CB-CB 4.32Å; A42-L67 HydrophobicContact CB-CD2 4.17Å; A42-T86 HydrophobicContact CB-CG2 3.82Å; A42-T86 VanDerWaalsContact CB-OG1 3.29Å; A42-T86 WeakPolarHBondContact CB-OG1 3.41Å; A42-F90 HydrophobicContact CB-CE2 4.19Å
43L98.9Very high97.6Very high0 Ų047.8 Ų47.80%024%0.235CC..EExtended strand (participates in β ladder)trans-117.9122.8-173.1-55.1-176000109.8I19 A22 S31 L41 L51 I54 P66 L67 L68 V69I19-L43 HydrophobicContact CB-CD2 4.07Å; I19-L43 HydrophobicContact CD1-CD2 4.28Å; I19-L43 HydrophobicContact CG1-CD2 4.49Å; A22-L43 HydrophobicContact CB-CB 3.82Å; A22-L43 HydrophobicContact CB-CD2 3.98Å; A22-L43 HydrophobicContact CB-CG 4.35Å; S31-L43 WeakPolarHBondContact OG-CD2 3.48Å; L41-L43 HydrophobicContact CB-CD2 3.97Å; L41-L43 HydrophobicContact CB-CG 4.24Å; L41-L43 HydrophobicContact CD1-CD2 4.36Å; L43-L51 HydrophobicContact CB-CD1 3.92Å; L43-L51 HydrophobicContact CB-CG 4.46Å; L43-I54 HydrophobicContact CD1-CG2 4.31Å; L43-P66 HydrophobicContact CD1-CB 3.69Å; L43-P66 HydrophobicContact CD1-CG 4.09Å; L43-P66 HydrophobicContact CG-CB 3.91Å; L43-L67 PolarHBondContact N-O 3.04Å; L43-L68 HydrophobicContact CB-CD2 3.87Å; L43-L68 HydrophobicContact CD1-CD2 4.09Å; L43-L68 HydrophobicContact CG-CD2 4.35Å; L43-V69 PolarHBondContact O-N 2.96Å
44N98.8Very high97.6Very high4 Ų447.6 Ų47.62%0.02123%0.234CC..EExtended strand (participates in β ladder)trans-110.1137.6173.1167.8-89000111I19 T20 G21 A22 V69 L73 T82I19-N44 PolarHBondContact O-N 2.95Å; T20-N44 CarbonylContact C-O 3.53Å; T20-N44 HydrophobicContact CG2-CB 4.45Å; G21-N44 PolarHBondContact N-O 2.8Å; A22-N44 PolarHBondContact N-O 3.11Å; N44-V69 WeakPolarHBondContact CA-O 3.38Å; N44-V69 PolarHBondContact ND2-O 3.42Å; N44-L73 WeakPolarHBondContact OD1-CD1 3.28Å; N44-L73 WeakPolarHBondContact OD1-CG 3.37Å; N44-T82 HydrophobicContact CB-CG2 4.11Å
45G97.9Very high97.6Very high3 Ų347.7 Ų47.73%0.03123%0.234CC..EExtended strand (participates in β ladder)trans-172.5159.2173.400000111P70 G71G45-P70 VanDerWaalsContact O-CA 3.23Å; G45-P70 WeakPolarHBondContact O-CA 3.35Å; G45-G71 PolarHBondContact O-N 2.79Å; G45-G71 VanDerWaalsContact O-N 3.14Å
46R96Very high97.7Very high147 Ų14754 Ų5456%0.55526%0.262SS*.SBendtrans-81.5-33.6-178.2-63.3-177.9-58.7-177.11113V48 G71 D72R46-V48 PolarHBondContact O-N 2.88Å; R46-G71 WeakPolarHBondContact CG-O 3.36Å; R46-D72 WeakPolarHBondContact CD-OD2 3.34Å; R46-D72 HydrophobicContact CG-CB 4.21Å; R46-D72 IonicContact CZ-OD2 3.93Å; R46-D72 IonicContact NE-OD2 3.98Å; R46-D72 IonicContact NH1-OD2 3.03Å; R46-D72 PolarHBondContact NH1-OD2 3.11Å
47D97.2Very high97.8Very high61 Ų6151 Ų5133%0.32625%0.249SC..  trans-85.798.4-179.3-175.3-25.5000109.6Q49 N50 L51D47-Q49 VanDerWaalsContact C-N 3.32Å; D47-Q49 PolarHBondContact O-N 3.48Å; D47-Q49 PolarHBondContact OD1-N 2.91Å; D47-Q49 VanDerWaalsContact OD1-N 3.15Å; D47-N50 HydrophobicContact CB-CB 4.17Å; D47-N50 PolarHBondContact O-N 2.65Å; D47-N50 PolarHBondContact OD1-N 3.45Å; D47-N50 PolarHBondContact OD2-ND2 2.8Å; D47-L51 VanDerWaalsContact O-CB 3.28Å; D47-L51 WeakPolarHBondContact O-CB 3.5Å; D47-L51 PolarHBondContact O-N 3.27Å
48V97.5Very high97.9Very high67 Ų6749.1 Ų49.141%0.40624%0.24SC..Hα-helixtrans-61.5-39.8-177.1-1780000111.7R46 L51 Q52 P70R46-V48 PolarHBondContact O-N 2.88Å; V48-L51 PolarHBondContact O-N 3.4Å; V48-Q52 HydrophobicContact CG1-CG 4.47Å; V48-Q52 VanDerWaalsContact O-CG 3.32Å; V48-Q52 WeakPolarHBondContact O-CG 3.48Å; V48-Q52 PolarHBondContact O-N 3.19Å; V48-P70 HydrophobicContact CG2-CB 3.75Å; V48-P70 HydrophobicContact CG2-CG 4.31Å
49Q98Very high98.1Very high157 Ų15750.3 Ų50.373%0.73424%0.24SC*.Hα-helixtrans-67.3-46.4-177-65.8-178.21.300110.6D47 L51 Q52 K53D47-Q49 VanDerWaalsContact C-N 3.32Å; D47-Q49 PolarHBondContact O-N 3.48Å; D47-Q49 PolarHBondContact OD1-N 2.91Å; D47-Q49 VanDerWaalsContact OD1-N 3.15Å; Q49-L51 VanDerWaalsContact C-N 3.33Å; Q49-Q52 PolarHBondContact O-N 2.87Å; Q49-K53 PolarHBondContact O-N 3.04Å
50N97.8Very high98Very high56 Ų5657.6 Ų57.630%0.29927%0.274SS..Hα-helixtrans-66.3-37.6175.2-84.2-37.6000111.7S23 D47 Q52 K53 I54S23-N50 WeakPolarHBondContact O-CB 3.34Å; D47-N50 HydrophobicContact CB-CB 4.17Å; D47-N50 PolarHBondContact O-N 2.65Å; D47-N50 PolarHBondContact OD1-N 3.45Å; D47-N50 PolarHBondContact OD2-ND2 2.8Å; N50-Q52 VanDerWaalsContact C-N 3.34Å; N50-Q52 PolarHBondContact O-N 3.29Å; N50-K53 WeakPolarHBondContact O-CB 3.4Å; N50-K53 PolarHBondContact O-N 3.47Å; N50-K53 VanDerWaalsContact O-N 3.16Å; N50-I54 WeakPolarHBondContact O-CG1 3.47Å; N50-I54 PolarHBondContact O-N 2.87Å
51L97.7Very high97.6Very high1 Ų157 Ų571%0.00528%0.275CS..Hα-helixtrans-61.4-42.5176.4-159.870.9000112A22 L43 D47 V48 Q49 I54 A55 L68 P70A22-L51 HydrophobicContact CB-CD1 3.83Å; L43-L51 HydrophobicContact CB-CD1 3.92Å; L43-L51 HydrophobicContact CB-CG 4.46Å; D47-L51 VanDerWaalsContact O-CB 3.28Å; D47-L51 WeakPolarHBondContact O-CB 3.5Å; D47-L51 PolarHBondContact O-N 3.27Å; V48-L51 PolarHBondContact O-N 3.4Å; Q49-L51 VanDerWaalsContact C-N 3.33Å; L51-I54 PolarHBondContact O-N 3.01Å; L51-A55 PolarHBondContact O-N 2.68Å; L51-L68 HydrophobicContact CD2-CB 4.05Å; L51-L68 HydrophobicContact CD2-CD1 4.48Å; L51-L68 HydrophobicContact CD2-CD2 4.03Å; L51-L68 HydrophobicContact CD2-CG 4.42Å; L51-L68 HydrophobicContact CG-CD1 4.4Å; L51-L68 HydrophobicContact CG-CD2 3.82Å; L51-P70 HydrophobicContact CD2-CB 4.43Å
52Q98.5Very high97Very high100 Ų10060.3 Ų60.347%0.46731%0.309SS..Hα-helixtrans-63.4-39173.2-73.7173.7-16.500112.4V48 Q49 N50 A55 K56 L68V48-Q52 HydrophobicContact CG1-CG 4.47Å; V48-Q52 VanDerWaalsContact O-CG 3.32Å; V48-Q52 WeakPolarHBondContact O-CG 3.48Å; V48-Q52 PolarHBondContact O-N 3.19Å; Q49-Q52 PolarHBondContact O-N 2.87Å; N50-Q52 VanDerWaalsContact C-N 3.34Å; N50-Q52 PolarHBondContact O-N 3.29Å; Q52-A55 WeakPolarHBondContact O-CB 3.31Å; Q52-A55 PolarHBondContact O-N 3.33Å; Q52-K56 WeakPolarHBondContact O-CG 3.29Å; Q52-K56 PolarHBondContact O-N 2.98Å; Q52-L68 HydrophobicContact CG-CD1 3.86Å
53K98.4Very high96.6Very high117 Ų11761 Ų6151%0.50932%0.315SS..Hα-helixtrans-61.1-46.1174.2-179.5-175.5174.7-176.60111.3Q49 N50 A55 K56 Q57Q49-K53 PolarHBondContact O-N 3.04Å; N50-K53 WeakPolarHBondContact O-CB 3.4Å; N50-K53 PolarHBondContact O-N 3.47Å; N50-K53 VanDerWaalsContact O-N 3.16Å; K53-A55 VanDerWaalsContact C-N 3.32Å; K53-A55 PolarHBondContact O-N 3.35Å; K53-K56 PolarHBondContact O-N 3.1Å; K53-Q57 WeakPolarHBondContact O-CG 3.38Å; K53-Q57 PolarHBondContact O-N 2.81Å; K53-Q57 VanDerWaalsContact O-N 3.1Å
54I98.5Very high96.5Very high14 Ų1463.6 Ų63.67%0.07234%0.337CS..Hα-helixtrans-64.8-38.1177.3-61.6-47.7000111A28 V32 L43 N50 L51 K56 Q57 C58A28-I54 HydrophobicContact CB-CD1 3.75Å; A28-I54 HydrophobicContact CB-CG1 3.85Å; V32-I54 HydrophobicContact CG2-CG2 4.29Å; L43-I54 HydrophobicContact CD1-CG2 4.31Å; N50-I54 WeakPolarHBondContact O-CG1 3.47Å; N50-I54 PolarHBondContact O-N 2.87Å; L51-I54 PolarHBondContact O-N 3.01Å; I54-K56 PolarHBondContact O-N 2.99Å; I54-Q57 PolarHBondContact O-N 3.46Å; I54-C58 PolarHBondContact O-N 3.36Å; I54-C58 PolarHBondContact O-SG 3.4Å
55A98.4Very high96.4Very high2 Ų269 Ų692%0.01736%0.362CS..Hα-helixtrans-58-47.1174.700000112.1L51 Q52 K53 Q57 C58 V59 P66 L68L51-A55 PolarHBondContact O-N 2.68Å; Q52-A55 WeakPolarHBondContact O-CB 3.31Å; Q52-A55 PolarHBondContact O-N 3.33Å; K53-A55 VanDerWaalsContact C-N 3.32Å; K53-A55 PolarHBondContact O-N 3.35Å; A55-Q57 PolarHBondContact O-N 2.9Å; A55-C58 WeakPolarHBondContact O-CB 3.33Å; A55-C58 PolarHBondContact O-N 3.18Å; A55-C58 VanDerWaalsContact O-N 3.11Å; A55-V59 WeakPolarHBondContact O-CG2 3.47Å; A55-V59 PolarHBondContact O-N 3.35Å; A55-P66 HydrophobicContact CB-CG 4.29Å; A55-L68 HydrophobicContact CB-CD1 4.16Å; A55-L68 HydrophobicContact CB-CD2 4.01Å; A55-L68 HydrophobicContact CB-CG 4.43Å
56K98.4Very high96.4Very high137 Ų13769.2 Ų69.260%0.59636%0.362SS*.Hα-helixtrans-58.4-45.5175.4-70.6177.3-179.7-176.10112Q52 K53 I54 C58 V59 E60Q52-K56 WeakPolarHBondContact O-CG 3.29Å; Q52-K56 PolarHBondContact O-N 2.98Å; K53-K56 PolarHBondContact O-N 3.1Å; I54-K56 PolarHBondContact O-N 2.99Å; K56-C58 VanDerWaalsContact C-N 3.27Å; K56-C58 PolarHBondContact O-N 3.06Å; K56-V59 PolarHBondContact O-N 3.38Å; K56-V59 VanDerWaalsContact O-N 3.12Å; K56-E60 WeakPolarHBondContact O-CG 3.16Å; K56-E60 PolarHBondContact O-N 3.34Å
57Q98.3Very high96.5Very high67 Ų6763.8 Ų63.831%0.31334%0.344SS..Hα-helixtrans-60.8-36.1176.2-69.6179.5-26.300112.7V32 K53 I54 A55 C61V32-Q57 HydrophobicContact CG2-CB 3.98Å; K53-Q57 WeakPolarHBondContact O-CG 3.38Å; K53-Q57 PolarHBondContact O-N 2.81Å; K53-Q57 VanDerWaalsContact O-N 3.1Å; I54-Q57 PolarHBondContact O-N 3.46Å; A55-Q57 PolarHBondContact O-N 2.9Å; Q57-C61 PolarHBondContact O-N 2.87Å; Q57-C61 PolarHBondContact O-SG 3.47Å
58C97.9Very high96.6Very high0 Ų063 Ų630%034%0.34CS..Hα-helixtrans-64.6-42.9174.7-64.40000111.5A35 L41 I54 A55 K56 C61 A63 P66A35-C58 HydrophobicContact CB-CB 3.6Å; L41-C58 HydrophobicContact CD1-CB 4.37Å; I54-C58 PolarHBondContact O-N 3.36Å; I54-C58 PolarHBondContact O-SG 3.4Å; A55-C58 WeakPolarHBondContact O-CB 3.33Å; A55-C58 PolarHBondContact O-N 3.18Å; A55-C58 VanDerWaalsContact O-N 3.11Å; K56-C58 VanDerWaalsContact C-N 3.27Å; K56-C58 PolarHBondContact O-N 3.06Å; C58-C61 WeakPolarHBondContact O-CB 3.43Å; C58-C61 PolarHBondContact O-N 3.06Å; C58-A63 WeakPolarHBondContact O-CB 3.36Å; C58-A63 PolarHBondContact O-N 3.16Å; C58-P66 HydrophobicContact CB-CG 3.76Å
59V97.9Very high96.7Very high56 Ų5660 Ų6034%0.33932%0.322SS..Hα-helixtrans-67.4-40.6177.61750000111.7A55 K56 C61 G62 E65A55-V59 WeakPolarHBondContact O-CG2 3.47Å; A55-V59 PolarHBondContact O-N 3.35Å; K56-V59 PolarHBondContact O-N 3.38Å; K56-V59 VanDerWaalsContact O-N 3.12Å; V59-C61 PolarHBondContact O-N 3.37Å; V59-G62 WeakPolarHBondContact O-CA 3.38Å; V59-G62 PolarHBondContact O-N 3.44Å; V59-E65 HydrophobicContact CG2-CB 4.46Å; V59-E65 WeakPolarHBondContact CG2-OE2 3.42Å
60E96.4Very high96.7Very high157 Ų15755.6 Ų55.673%0.73431%0.306SS*.Hα-helixtrans-59.6-26.6174.1-73.1167.7-179.500112.4K56 G62K56-E60 WeakPolarHBondContact O-CG 3.16Å; K56-E60 PolarHBondContact O-N 3.34Å; E60-G62 PolarHBondContact O-N 3.38Å
61C89.4Confident96.6Very high48 Ų4853.8 Ų53.832%0.32430%0.301SS..THydrogen-bonded Turntrans-80.72.7172.7-64.70000113.9K36 Q57 C58 V59K36-C61 WeakPolarHBondContact CE-SG 3.45Å; K36-C61 HydrophobicContact CG-CB 3.68Å; Q57-C61 PolarHBondContact O-N 2.87Å; Q57-C61 PolarHBondContact O-SG 3.47Å; C58-C61 WeakPolarHBondContact O-CB 3.43Å; C58-C61 PolarHBondContact O-N 3.06Å; V59-C61 PolarHBondContact O-N 3.37Å
62G85.8Confident96.6Very high72 Ų7256 Ų5674%0.74231%0.313SS*.THydrogen-bonded Turntrans87.912.1178.300000115.3V59 E60V59-G62 WeakPolarHBondContact O-CA 3.38Å; V59-G62 PolarHBondContact O-N 3.44Å; E60-G62 PolarHBondContact O-N 3.38Å
63A91.9Very high96.6Very high16 Ų1651.8 Ų51.813%0.13229%0.294CS..PPolyproline II helixtrans-82.5162.4175.100000112.3A35 C58A35-A63 HydrophobicContact CB-CB 3.62Å; C58-A63 WeakPolarHBondContact O-CB 3.36Å; C58-A63 PolarHBondContact O-N 3.16Å
64A95Very high96.5Very high54 Ų5448.8 Ų48.845%0.44629%0.285SS..PPolyproline II helixtrans-64.5152166.900000110.8L40 P66L40-A64 HydrophobicContact CD2-CB 3.92Å; A64-P66 VanDerWaalsContact O-CD 3.28Å; A64-P66 WeakPolarHBondContact O-CD 3.5Å
65E97.3Very high96.5Very high117 Ų11751.6 Ų51.655%0.54730%0.301SS..PPolyproline II helixtrans-52.5119.9176-172.472.7-144.400110.8V59V59-E65 HydrophobicContact CG2-CB 4.46Å; V59-E65 WeakPolarHBondContact CG2-OE2 3.42Å
66P98.5Very high96.4Very high7 Ų755.1 Ų55.15%0.04532%0.316CS..PPolyproline II helixtrans-62.9143.2176.3-25.937.3000112.6L41 L43 A55 C58 A64 L68L41-P66 HydrophobicContact CB-CB 3.93Å; L41-P66 HydrophobicContact CB-CG 4.22Å; L41-P66 HydrophobicContact CD1-CG 4.39Å; L41-P66 CarbonylContact O-C 3.03Å; L41-P66 WeakPolarHBondContact O-CA 3.24Å; L43-P66 HydrophobicContact CD1-CB 3.69Å; L43-P66 HydrophobicContact CD1-CG 4.09Å; L43-P66 HydrophobicContact CG-CB 3.91Å; A55-P66 HydrophobicContact CB-CG 4.29Å; C58-P66 HydrophobicContact CB-CG 3.76Å; A64-P66 VanDerWaalsContact O-CD 3.28Å; A64-P66 WeakPolarHBondContact O-CD 3.5Å; P66-L68 HydrophobicContact CB-CD2 4.35Å; P66-L68 PolarHBondContact O-N 2.91Å
67L98.7Very high96.4Very high33 Ų3352.4 Ų52.417%0.17331%0.308CS..EExtended strand (participates in β ladder)trans-71.7122164.9173.569000108.9L41 A42 L43 V69 Q85 R89 F90L41-L67 PolarHBondContact O-N 3.35Å; A42-L67 CarbonylContact C-O 3.56Å; A42-L67 WeakPolarHBondContact CA-O 3.38Å; A42-L67 HydrophobicContact CB-CB 4.32Å; A42-L67 HydrophobicContact CB-CD2 4.17Å; L43-L67 PolarHBondContact N-O 3.04Å; L67-V69 HydrophobicContact CD2-CG2 3.91Å; L67-V69 HydrophobicContact CG-CG2 3.87Å; L67-Q85 HydrophobicContact CD2-CB 4.09Å; L67-Q85 WeakPolarHBondContact CD2-O 3.49Å; L67-R89 HydrophobicContact CB-CG 4.32Å; L67-R89 HydrophobicContact CD1-CG 4.48Å; L67-R89 HydrophobicContact CD2-CB 3.9Å; L67-R89 HydrophobicContact CD2-CG 4.25Å; L67-F90 HydrophobicContact CB-CE2 3.84Å; L67-F90 HydrophobicContact CB-CZ 4.01Å; L67-F90 HydrophobicContact CD2-CE2 4.23Å
68L98.8Very high96.3Very high45 Ų4550.1 Ų50.124%0.23630%0.299CS..EExtended strand (participates in β ladder)trans-96.7124.7174.4-58.1-168.8000110.5L43 L51 Q52 A55 P66L43-L68 HydrophobicContact CB-CD2 3.87Å; L43-L68 HydrophobicContact CD1-CD2 4.09Å; L43-L68 HydrophobicContact CG-CD2 4.35Å; L51-L68 HydrophobicContact CD2-CB 4.05Å; L51-L68 HydrophobicContact CD2-CD1 4.48Å; L51-L68 HydrophobicContact CD2-CD2 4.03Å; L51-L68 HydrophobicContact CD2-CG 4.42Å; L51-L68 HydrophobicContact CG-CD1 4.4Å; L51-L68 HydrophobicContact CG-CD2 3.82Å; Q52-L68 HydrophobicContact CG-CD1 3.86Å; A55-L68 HydrophobicContact CB-CD1 4.16Å; A55-L68 HydrophobicContact CB-CD2 4.01Å; A55-L68 HydrophobicContact CB-CG 4.43Å; P66-L68 HydrophobicContact CB-CD2 4.35Å; P66-L68 PolarHBondContact O-N 2.91Å
69V98.1Very high96.3Very high4 Ų450.1 Ų50.12%0.02430%0.299CS..EExtended strand (participates in β ladder)trans-123.779.9174.8-164.10000109.5L43 N44 L67 Q85L43-V69 PolarHBondContact O-N 2.96Å; N44-V69 WeakPolarHBondContact CA-O 3.38Å; N44-V69 PolarHBondContact ND2-O 3.42Å; L67-V69 HydrophobicContact CD2-CG2 3.91Å; L67-V69 HydrophobicContact CG-CG2 3.87Å; V69-Q85 VanDerWaalsContact CG1-OE1 3.31Å; V69-Q85 HydrophobicContact CG2-CB 4.16Å
70P98.1Very high96.4Very high64 Ų6451.9 Ų51.942%0.41630%0.3SS..EExtended strand (participates in β ladder)trans-71.7144.9-176.430.1-34.8000111.8G45 V48 L51G45-P70 VanDerWaalsContact O-CA 3.23Å; G45-P70 WeakPolarHBondContact O-CA 3.35Å; V48-P70 HydrophobicContact CG2-CB 3.75Å; V48-P70 HydrophobicContact CG2-CG 4.31Å; L51-P70 HydrophobicContact CD2-CB 4.43Å
71G97.4Very high96.4Very high18 Ų1849.9 Ų49.919%0.18629%0.289CS..SBendtrans155.1171.3173.900000113.7G45 R46G45-G71 PolarHBondContact O-N 2.79Å; G45-G71 VanDerWaalsContact O-N 3.14Å; R46-G71 WeakPolarHBondContact CG-O 3.36Å
72D97.6Very high96.9Very high49 Ų4947.6 Ų47.626%0.26227%0.273SS..  trans-90.9121.6176.7-163.2-46000110.6R46 T74 D75 T78R46-D72 WeakPolarHBondContact CD-OD2 3.34Å; R46-D72 HydrophobicContact CG-CB 4.21Å; R46-D72 IonicContact CZ-OD2 3.93Å; R46-D72 IonicContact NE-OD2 3.98Å; R46-D72 IonicContact NH1-OD2 3.03Å; R46-D72 PolarHBondContact NH1-OD2 3.11Å; D72-T74 VanDerWaalsContact CG-OG1 3.26Å; D72-T74 PolarHBondContact O-N 2.94Å; D72-T74 VanDerWaalsContact O-N 3.15Å; D72-T74 WeakPolarHBondContact OD1-CB 3.18Å; D72-T74 WeakPolarHBondContact OD1-CG2 3.14Å; D72-T74 PolarHBondContact OD1-N 3.02Å; D72-T74 PolarHBondContact OD1-OG1 2.99Å; D72-D75 WeakPolarHBondContact O-CB 3.43Å; D72-D75 PolarHBondContact O-N 2.77Å; D72-T78 WeakPolarHBondContact O-CB 3.33Å; D72-T78 WeakPolarHBondContact O-CG2 3.15Å
73L97.8Very high97.5Very high11 Ų1144.4 Ų44.46%0.05824%0.239CC..THydrogen-bonded Turntrans-740.8-178.7-64.8174000114.1T20 N44 D75 T78 V79 A100 S126 L130T20-L73 HydrophobicContact CG2-CD1 3.54Å; N44-L73 WeakPolarHBondContact OD1-CD1 3.28Å; N44-L73 WeakPolarHBondContact OD1-CG 3.37Å; L73-D75 VanDerWaalsContact C-N 3.31Å; L73-T78 HydrophobicContact CD2-CG2 4.44Å; L73-V79 HydrophobicContact CB-CG2 4.37Å; L73-V79 HydrophobicContact CD2-CG2 4.15Å; L73-V79 VanDerWaalsContact O-CG2 3.27Å; L73-V79 WeakPolarHBondContact O-CG2 3.37Å; L73-A100 HydrophobicContact CD1-CB 4.09Å; L73-S126 WeakPolarHBondContact O-CB 3.34Å; L73-L130 HydrophobicContact CD1-CD2 4.38Å
74T97Very high97.8Very high54 Ų5448.6 Ų48.633%0.33126%0.259SS..THydrogen-bonded Turntrans-78.7-18.6165.8610000112.5D72 N121 V122D72-T74 VanDerWaalsContact CG-OG1 3.26Å; D72-T74 PolarHBondContact O-N 2.94Å; D72-T74 VanDerWaalsContact O-N 3.15Å; D72-T74 WeakPolarHBondContact OD1-CB 3.18Å; D72-T74 WeakPolarHBondContact OD1-CG2 3.14Å; D72-T74 PolarHBondContact OD1-N 3.02Å; D72-T74 PolarHBondContact OD1-OG1 2.99Å; T74-N121 HydrophobicContact CG2-CB 4.1Å; T74-V122 HydrophobicContact CG2-CB 4.38Å; T74-V122 HydrophobicContact CG2-CG2 3.57Å
75D97.8Very high98Very high73 Ų7350 Ų5039%0.3926%0.257SS..SBendtrans-86.7121.9172.4171.864.5000110.9D72 L73 D77 T78 V79D72-D75 WeakPolarHBondContact O-CB 3.43Å; D72-D75 PolarHBondContact O-N 2.77Å; L73-D75 VanDerWaalsContact C-N 3.31Å; D75-D77 VanDerWaalsContact C-N 3.31Å; D75-D77 PolarHBondContact O-N 2.93Å; D75-D77 PolarHBondContact OD2-N 2.85Å; D75-T78 WeakPolarHBondContact O-CB 3.26Å; D75-T78 PolarHBondContact O-N 2.95Å; D75-T78 WeakPolarHBondContact OD2-CB 3.29Å; D75-T78 PolarHBondContact OD2-N 3.11Å; D75-T78 PolarHBondContact OD2-OG1 3.02Å; D75-V79 WeakPolarHBondContact O-CG2 3.28Å; D75-V79 PolarHBondContact O-N 2.69Å; D75-V79 VanDerWaalsContact O-N 3.1Å
76E96.4Very high98.1Very high75 Ų7544.5 Ų44.535%0.3523%0.231SC..Hα-helixtrans-65.7-33.1-173.8-65.7-172.3-177.200113.7T78 V79 R80 R125E76-T78 VanDerWaalsContact C-N 3.33Å; E76-V79 PolarHBondContact O-N 2.94Å; E76-R80 PolarHBondContact O-N 2.9Å; E76-R80 IonicContact OE2-CZ 2.77Å; E76-R80 IonicContact OE2-NH1 2.97Å; E76-R80 PolarHBondContact OE2-NH1 2.87Å; E76-R80 IonicContact OE2-NH2 3.62Å; E76-R125 IonicContact OE1-CZ 3.64Å; E76-R125 IonicContact OE1-NH1 3.41Å; E76-R125 IonicContact OE1-NH2 3.71Å; E76-R125 PolarHBondContact OE1-NH2 3.45Å
77D97.4Very high98.1Very high80 Ų8045.9 Ų45.943%0.42824%0.238SC..Hα-helixtrans-69-36.4177.8-74-14.1000111.1D75 R80 K81D75-D77 VanDerWaalsContact C-N 3.31Å; D75-D77 PolarHBondContact O-N 2.93Å; D75-D77 PolarHBondContact OD2-N 2.85Å; D77-R80 PolarHBondContact O-N 2.79Å; D77-R80 IonicContact OD1-CZ 3.56Å; D77-R80 IonicContact OD1-NE 2.72Å; D77-R80 PolarHBondContact OD1-NE 3.48Å; D77-R80 IonicContact OD1-NH2 2.86Å; D77-R80 PolarHBondContact OD1-NH2 2.91Å; D77-K81 VanDerWaalsContact O-CB 3.3Å; D77-K81 WeakPolarHBondContact O-CB 3.46Å; D77-K81 WeakPolarHBondContact O-CG 3.43Å; D77-K81 PolarHBondContact O-N 2.87Å
78T97.5Very high98.1Very high20 Ų2049.5 Ų49.512%0.12327%0.266CS..Hα-helixtrans-62.3-43.9171.1-62.50000111.1D72 L73 D75 E76 K81 T82D72-T78 WeakPolarHBondContact O-CB 3.33Å; D72-T78 WeakPolarHBondContact O-CG2 3.15Å; L73-T78 HydrophobicContact CD2-CG2 4.44Å; D75-T78 WeakPolarHBondContact O-CB 3.26Å; D75-T78 PolarHBondContact O-N 2.95Å; D75-T78 WeakPolarHBondContact OD2-CB 3.29Å; D75-T78 PolarHBondContact OD2-N 3.11Å; D75-T78 PolarHBondContact OD2-OG1 3.02Å; E76-T78 VanDerWaalsContact C-N 3.33Å; T78-K81 PolarHBondContact O-N 2.99Å; T78-T82 WeakPolarHBondContact O-CB 3.49Å; T78-T82 PolarHBondContact O-N 2.86Å; T78-T82 PolarHBondContact O-OG1 3.32Å
79V98.3Very high98.1Very high0 Ų053.8 Ų53.80%028%0.279CS..Hα-helixtrans-60.3-48.6176.3-173.70000110.4L73 D75 E76 T82 V83 L130 L133L73-V79 HydrophobicContact CB-CG2 4.37Å; L73-V79 HydrophobicContact CD2-CG2 4.15Å; L73-V79 VanDerWaalsContact O-CG2 3.27Å; L73-V79 WeakPolarHBondContact O-CG2 3.37Å; D75-V79 WeakPolarHBondContact O-CG2 3.28Å; D75-V79 PolarHBondContact O-N 2.69Å; D75-V79 VanDerWaalsContact O-N 3.1Å; E76-V79 PolarHBondContact O-N 2.94Å; V79-T82 WeakPolarHBondContact O-CB 3.4Å; V79-T82 PolarHBondContact O-N 2.84Å; V79-V83 PolarHBondContact O-N 2.97Å; V79-L130 HydrophobicContact CG1-CB 3.85Å; V79-L130 HydrophobicContact CG1-CD1 3.76Å; V79-L130 HydrophobicContact CG1-CG 4.42Å; V79-L133 HydrophobicContact CG1-CD1 3.96Å
80R98.3Very high98.1Very high92 Ų9255.2 Ų55.235%0.34729%0.285SS..Hα-helixtrans-58.4-51.8177-75.5-175.7-82.7-91.54.1111.9E76 D77 T82 V83 D84 L133E76-R80 PolarHBondContact O-N 2.9Å; E76-R80 IonicContact OE2-CZ 2.77Å; E76-R80 IonicContact OE2-NH1 2.97Å; E76-R80 PolarHBondContact OE2-NH1 2.87Å; E76-R80 IonicContact OE2-NH2 3.62Å; D77-R80 PolarHBondContact O-N 2.79Å; D77-R80 IonicContact OD1-CZ 3.56Å; D77-R80 IonicContact OD1-NE 2.72Å; D77-R80 PolarHBondContact OD1-NE 3.48Å; D77-R80 IonicContact OD1-NH2 2.86Å; D77-R80 PolarHBondContact OD1-NH2 2.91Å; R80-T82 VanDerWaalsContact C-N 3.27Å; R80-T82 PolarHBondContact O-N 2.81Å; R80-V83 PolarHBondContact O-N 2.96Å; R80-V83 VanDerWaalsContact O-N 3.11Å; R80-D84 VanDerWaalsContact O-CG 3.31Å; R80-D84 PolarHBondContact O-N 2.89Å; R80-L133 HydrophobicContact CG-CD1 3.88Å
81K98.2Very high98.1Very high116 Ų11655.1 Ų55.150%0.50430%0.296SS..Hα-helixtrans-56.8-39.2177.2-74.6169.1-175.1168.40112.6D77 T78 V83 D84 Q85D77-K81 VanDerWaalsContact O-CB 3.3Å; D77-K81 WeakPolarHBondContact O-CB 3.46Å; D77-K81 WeakPolarHBondContact O-CG 3.43Å; D77-K81 PolarHBondContact O-N 2.87Å; T78-K81 PolarHBondContact O-N 2.99Å; K81-V83 VanDerWaalsContact C-N 3.33Å; K81-V83 PolarHBondContact O-N 3.26Å; K81-D84 PolarHBondContact O-N 3.34Å; K81-Q85 VanDerWaalsContact O-CB 3.27Å; K81-Q85 WeakPolarHBondContact O-CB 3.4Å; K81-Q85 VanDerWaalsContact O-CG 3.27Å; K81-Q85 WeakPolarHBondContact O-CG 3.39Å; K81-Q85 PolarHBondContact O-N 2.86Å
82T98.6Very high98.1Very high0 Ų059.8 Ų59.80%031%0.308CS..Hα-helixtrans-58.9-44.9177.9-60.20000111.4L18 N44 T78 V79 R80 T86 L130L18-T82 HydrophobicContact CD1-CG2 3.67Å; L18-T82 HydrophobicContact CD2-CG2 3.93Å; L18-T82 HydrophobicContact CG-CG2 4.41Å; N44-T82 HydrophobicContact CB-CG2 4.11Å; T78-T82 WeakPolarHBondContact O-CB 3.49Å; T78-T82 PolarHBondContact O-N 2.86Å; T78-T82 PolarHBondContact O-OG1 3.32Å; V79-T82 WeakPolarHBondContact O-CB 3.4Å; V79-T82 PolarHBondContact O-N 2.84Å; R80-T82 VanDerWaalsContact C-N 3.27Å; R80-T82 PolarHBondContact O-N 2.81Å; T82-T86 WeakPolarHBondContact O-CB 3.43Å; T82-T86 PolarHBondContact O-N 3.17Å; T82-T86 PolarHBondContact O-OG1 3.49Å; T82-L130 HydrophobicContact CG2-CD1 4.45Å
83V98.8Very high98.2Very high5 Ų557.5 Ų57.53%0.0330%0.295CS..Hα-helixtrans-72.1-50.8177.8-177.70000110.7V79 R80 K81 Q85 T86 I87 L130 L133V79-V83 PolarHBondContact O-N 2.97Å; R80-V83 PolarHBondContact O-N 2.96Å; R80-V83 VanDerWaalsContact O-N 3.11Å; K81-V83 VanDerWaalsContact C-N 3.33Å; K81-V83 PolarHBondContact O-N 3.26Å; V83-Q85 PolarHBondContact O-N 3.43Å; V83-T86 WeakPolarHBondContact O-CB 3.44Å; V83-T86 PolarHBondContact O-N 2.9Å; V83-T86 VanDerWaalsContact O-N 3.13Å; V83-I87 HydrophobicContact CG1-CG1 4.27Å; V83-I87 WeakPolarHBondContact O-CG1 3.5Å; V83-I87 PolarHBondContact O-N 3.01Å; V83-L130 HydrophobicContact CG2-CD1 3.55Å; V83-L133 HydrophobicContact CB-CB 4.47Å; V83-L133 HydrophobicContact CG1-CB 4.44Å; V83-L133 HydrophobicContact CG2-CB 3.85Å; V83-L133 HydrophobicContact CG2-CD1 4.49Å
84D98.7Very high98.3Very high103 Ų10357.4 Ų57.455%0.55130%0.295SS*.Hα-helixtrans-60.2-43.5-175-68.6-21.2000112.3R80 K81 I87 S88R80-D84 VanDerWaalsContact O-CG 3.31Å; R80-D84 PolarHBondContact O-N 2.89Å; K81-D84 PolarHBondContact O-N 3.34Å; D84-I87 PolarHBondContact O-N 2.99Å; D84-S88 WeakPolarHBondContact O-CB 3.2Å; D84-S88 PolarHBondContact O-N 3.03Å
85Q98.8Very high98.3Very high85 Ų8554.9 Ų54.940%0.39728%0.28SS..Hα-helixtrans-67.7-38.7177.4-69.2-176.5-2.300111.9L67 V69 K81 V83 S88 R89L67-Q85 HydrophobicContact CD2-CB 4.09Å; L67-Q85 WeakPolarHBondContact CD2-O 3.49Å; V69-Q85 VanDerWaalsContact CG1-OE1 3.31Å; V69-Q85 HydrophobicContact CG2-CB 4.16Å; K81-Q85 VanDerWaalsContact O-CB 3.27Å; K81-Q85 WeakPolarHBondContact O-CB 3.4Å; K81-Q85 VanDerWaalsContact O-CG 3.27Å; K81-Q85 WeakPolarHBondContact O-CG 3.39Å; K81-Q85 PolarHBondContact O-N 2.86Å; V83-Q85 PolarHBondContact O-N 3.43Å; Q85-S88 PolarHBondContact O-N 3.33Å; Q85-R89 WeakPolarHBondContact O-CB 3.3Å; Q85-R89 PolarHBondContact O-N 2.92Å
86T98.8Very high98.4Very high1 Ų151.4 Ų51.41%0.00626%0.261CS..Hα-helixtrans-60-48.5175.7-610000110.6V16 A42 T82 V83 R89 F90 L93V16-T86 HydrophobicContact CG1-CG2 4.29Å; A42-T86 HydrophobicContact CB-CG2 3.82Å; A42-T86 VanDerWaalsContact CB-OG1 3.29Å; A42-T86 WeakPolarHBondContact CB-OG1 3.41Å; T82-T86 WeakPolarHBondContact O-CB 3.43Å; T82-T86 PolarHBondContact O-N 3.17Å; T82-T86 PolarHBondContact O-OG1 3.49Å; V83-T86 WeakPolarHBondContact O-CB 3.44Å; V83-T86 PolarHBondContact O-N 2.9Å; V83-T86 VanDerWaalsContact O-N 3.13Å; T86-R89 PolarHBondContact O-N 3.02Å; T86-F90 HydrophobicContact CG2-CD2 4.25Å; T86-F90 WeakPolarHBondContact O-CD2 3.45Å; T86-F90 PolarHBondContact O-N 3.29Å; T86-F90 VanDerWaalsContact O-N 3.08Å; T86-L93 HydrophobicContact CG2-CD1 4.24Å
87I98.8Very high98.5Very high35 Ų3547.8 Ų47.818%0.17924%0.244CC..Hα-helixtrans-69.9-40.5-179.4-60.6-56.2000111.6V83 D84 R89 G91 L93 H137V83-I87 HydrophobicContact CG1-CG1 4.27Å; V83-I87 WeakPolarHBondContact O-CG1 3.5Å; V83-I87 PolarHBondContact O-N 3.01Å; D84-I87 PolarHBondContact O-N 2.99Å; I87-R89 VanDerWaalsContact C-N 3.31Å; I87-R89 PolarHBondContact O-N 3.42Å; I87-G91 WeakPolarHBondContact O-CA 3.39Å; I87-G91 PolarHBondContact O-N 3.17Å; I87-L93 HydrophobicContact CD1-CB 3.95Å; I87-H137 HydrophobicContact CD1-CB 3.77Å; I87-H137 VanDerWaalsContact CD1-CG 3.44Å; I87-H137 WeakPolarHBondContact CD1-ND1 3.39Å
88S98.7Very high98.6Very high109 Ų10944.2 Ų44.276%0.76223%0.225SC*.Hα-helixtrans-60.7-40.7175.5-176.80000111.9D84 Q85D84-S88 WeakPolarHBondContact O-CB 3.2Å; D84-S88 PolarHBondContact O-N 3.03Å; Q85-S88 PolarHBondContact O-N 3.33Å
89R98.6Very high98.6Very high136 Ų13644.2 Ų44.251%0.51323%0.226SC..Hα-helixtrans-75.6-36.3-176.9178.859.2-178.780.51.8114.2L67 Q85 T86 I87L67-R89 HydrophobicContact CB-CG 4.32Å; L67-R89 HydrophobicContact CD1-CG 4.48Å; L67-R89 HydrophobicContact CD2-CB 3.9Å; L67-R89 HydrophobicContact CD2-CG 4.25Å; Q85-R89 WeakPolarHBondContact O-CB 3.3Å; Q85-R89 PolarHBondContact O-N 2.92Å; T86-R89 PolarHBondContact O-N 3.02Å; I87-R89 VanDerWaalsContact C-N 3.31Å; I87-R89 PolarHBondContact O-N 3.42Å
90F98.5Very high98.6Very high33 Ų3345.1 Ų45.115%0.14523%0.233CC..Hα-helixtrans-120.8-12.5-169.8-58.2-66.2000114.5V16 L40 L41 A42 L67 T86 R92V16-F90 HydrophobicContact CB-CB 4.4Å; V16-F90 HydrophobicContact CG1-CB 3.8Å; V16-F90 HydrophobicContact CG1-CD2 3.61Å; V16-F90 HydrophobicContact CG1-CE2 4.35Å; V16-F90 HydrophobicContact CG1-CG 3.81Å; V16-F90 HydrophobicContact CG2-CB 3.69Å; V16-F90 HydrophobicContact CG2-CD1 4.49Å; V16-F90 HydrophobicContact CG2-CG 4.1Å; L40-F90 HydrophobicContact CB-CD1 4.22Å; L40-F90 HydrophobicContact CB-CE1 3.99Å; L40-F90 HydrophobicContact CD1-CD1 4.22Å; L41-F90 WeakPolarHBondContact O-CZ 3.31Å; A42-F90 HydrophobicContact CB-CE2 4.19Å; L67-F90 HydrophobicContact CB-CE2 3.84Å; L67-F90 HydrophobicContact CB-CZ 4.01Å; L67-F90 HydrophobicContact CD2-CE2 4.23Å; T86-F90 HydrophobicContact CG2-CD2 4.25Å; T86-F90 WeakPolarHBondContact O-CD2 3.45Å; T86-F90 PolarHBondContact O-N 3.29Å; T86-F90 VanDerWaalsContact O-N 3.08Å; F90-R92 PolarHBondContact O-N 3.48Å; F90-R92 VanDerWaalsContact O-N 3.11Å
91G98.3Very high98.5Very high63 Ų6342.5 Ų42.565%0.64924%0.235SC*.SBendtrans71.7-4.5-18000000115.3I87I87-G91 WeakPolarHBondContact O-CA 3.39Å; I87-G91 PolarHBondContact O-N 3.17Å
92R98.3Very high98.4Very high115 Ų11538.6 Ų38.643%0.43422%0.219SC..  trans-154.6166.2-175.769.2-173.8-68.1150.53.4111.5V16 F90 D94 T141V16-R92 HydrophobicContact CB-CG 4.12Å; V16-R92 WeakPolarHBondContact CG1-O 3.14Å; V16-R92 HydrophobicContact CG2-CG 3.51Å; F90-R92 PolarHBondContact O-N 3.48Å; F90-R92 VanDerWaalsContact O-N 3.11Å; R92-D94 IonicContact CZ-OD1 2.7Å; R92-D94 IonicContact CZ-OD2 2.74Å; R92-D94 IonicContact NE-OD1 3.54Å; R92-D94 PolarHBondContact NE-OD1 3.23Å; R92-D94 IonicContact NE-OD2 3.33Å; R92-D94 PolarHBondContact NE-OD2 3.21Å; R92-D94 IonicContact NH2-OD1 3.79Å; R92-D94 PolarHBondContact NH2-OD1 3.29Å; R92-D94 IonicContact NH2-OD2 3.7Å; R92-T141 HydrophobicContact CB-CG2 4.04Å
93L98.9Very high98.3Very high1 Ų139.5 Ų39.51%0.00522%0.224CC..  trans-141.1121.5169.8178.863.2000108.8L18 T86 I87 V95 C134 H137 L138 T141L18-L93 HydrophobicContact CB-CD1 3.73Å; T86-L93 HydrophobicContact CG2-CD1 4.24Å; I87-L93 HydrophobicContact CD1-CB 3.95Å; L93-V95 WeakPolarHBondContact CD1-O 3.49Å; L93-C134 HydrophobicContact CD2-CB 3.69Å; L93-H137 HydrophobicContact CB-CB 3.98Å; L93-L138 HydrophobicContact CD2-CD2 4.25Å; L93-L138 HydrophobicContact CD2-CG 4.14Å; L93-L138 HydrophobicContact CG-CD2 3.97Å; L93-L138 HydrophobicContact CG-CG 4.32Å; L93-T141 WeakPolarHBondContact O-CB 3.48Å; L93-T141 VanDerWaalsContact O-CG2 3.25Å; L93-T141 WeakPolarHBondContact O-CG2 3.39Å; L93-T141 PolarHBondContact O-OG1 3.45Å
94D98.8Very high98.1Very high9 Ų940.2 Ų40.25%0.04823%0.231CC..  trans-105.6-33.5-177.2-61.3-77.4000112.2K15 V16 R92 T141 G143 S144K15-D94 HydrophobicContact CB-CB 3.86Å; K15-D94 HydrophobicContact CD-CB 4.37Å; K15-D94 HydrophobicContact CG-CB 4.25Å; V16-D94 PolarHBondContact N-OD2 3.27Å; V16-D94 WeakPolarHBondContact O-CA 3.11Å; V16-D94 WeakPolarHBondContact O-CB 3.45Å; V16-D94 PolarHBondContact O-N 3.36Å; R92-D94 IonicContact CZ-OD1 2.7Å; R92-D94 IonicContact CZ-OD2 2.74Å; R92-D94 IonicContact NE-OD1 3.54Å; R92-D94 PolarHBondContact NE-OD1 3.23Å; R92-D94 IonicContact NE-OD2 3.33Å; R92-D94 PolarHBondContact NE-OD2 3.21Å; R92-D94 IonicContact NH2-OD1 3.79Å; R92-D94 PolarHBondContact NH2-OD1 3.29Å; R92-D94 IonicContact NH2-OD2 3.7Å; D94-T141 VanDerWaalsContact OD1-CB 3.26Å; D94-T141 WeakPolarHBondContact OD1-CB 3.49Å; D94-T141 WeakPolarHBondContact OD1-CG2 3.47Å; D94-G143 CarbonylContact O-C 3.57Å; D94-G143 WeakPolarHBondContact O-CA 3.22Å; D94-S144 PolarHBondContact O-N 3.43Å
95V98.9Very high97.8Very high1 Ų139.9 Ų39.91%0.00623%0.227CC..EExtended strand (participates in β ladder)trans-135.1131.4-177.5-174.10000110.8K15 V16 A17 L18 F34 L93 V97 S144 A241K15-V95 HydrophobicContact CD-CG2 4.37Å; V16-V95 PolarHBondContact O-N 2.81Å; A17-V95 CarbonylContact C-O 3.57Å; A17-V95 VanDerWaalsContact CA-O 3.29Å; A17-V95 WeakPolarHBondContact CA-O 3.42Å; A17-V95 HydrophobicContact CB-CB 3.95Å; L18-V95 PolarHBondContact N-O 3.4Å; F34-V95 HydrophobicContact CE2-CG1 3.97Å; F34-V95 HydrophobicContact CZ-CG1 4.46Å; L93-V95 WeakPolarHBondContact CD1-O 3.49Å; V95-V97 HydrophobicContact CG1-CG2 3.98Å; V95-S144 CarbonylContact C-O 3.46Å; V95-S144 VanDerWaalsContact CA-O 3.28Å; V95-S144 WeakPolarHBondContact CA-O 3.48Å; V95-A241 HydrophobicContact CG1-CB 3.69Å; V95-A241 HydrophobicContact CG2-CB 4.12Å
96L98.9Very high97.6Very high0 Ų036.1 Ų36.10%021%0.211CC..EExtended strand (participates in β ladder)trans-111.4124.9165.9172.863.7000109.4L18 L130 C134 L138 S144 I145 V146L18-L96 HydrophobicContact CB-CD1 4.27Å; L18-L96 HydrophobicContact CD2-CD1 4Å; L18-L96 HydrophobicContact CG-CD1 4.03Å; L96-L130 HydrophobicContact CD1-CD2 4Å; L96-L130 HydrophobicContact CD1-CG 4.36Å; L96-C134 HydrophobicContact CD2-CB 4.01Å; L96-L138 HydrophobicContact CB-CD1 4.22Å; L96-S144 PolarHBondContact N-O 2.85Å; L96-I145 HydrophobicContact CB-CG1 4.29Å; L96-I145 HydrophobicContact CB-CG2 4.49Å; L96-I145 HydrophobicContact CD2-CG1 4.5Å; L96-I145 HydrophobicContact CD2-CG2 4.28Å; L96-I145 HydrophobicContact CG-CG2 4.44Å; L96-I145 CarbonylContact O-C 3.42Å; L96-I145 WeakPolarHBondContact O-CA 3.34Å; L96-V146 PolarHBondContact O-N 3.31Å
97V98.9Very high97.4Very high0 Ų037.7 Ų37.70%022%0.222CC..EExtended strand (participates in β ladder)trans-113109.5171.5-175.20000109.5L18 I19 T20 T30 F34 V95 S99 V146 V148 I237L18-V97 PolarHBondContact O-N 2.94Å; I19-V97 HydrophobicContact CB-CB 4.43Å; I19-V97 HydrophobicContact CG1-CB 4.13Å; I19-V97 HydrophobicContact CG1-CG2 4.19Å; I19-V97 HydrophobicContact CG2-CB 4.23Å; I19-V97 HydrophobicContact CG2-CG1 4.4Å; T20-V97 PolarHBondContact N-O 3.22Å; T20-V97 PolarHBondContact OG1-O 2.93Å; T30-V97 HydrophobicContact CG2-CG1 4.48Å; F34-V97 HydrophobicContact CE2-CG2 4.08Å; F34-V97 HydrophobicContact CZ-CG2 4.1Å; V95-V97 HydrophobicContact CG1-CG2 3.98Å; V97-S99 PolarHBondContact O-N 3.13Å; V97-V146 WeakPolarHBondContact CA-O 3.26Å; V97-V148 HydrophobicContact CG1-CG2 4.49Å; V97-I237 HydrophobicContact CG1-CD1 4.49Å; V97-I237 HydrophobicContact CG1-CG2 4.03Å; V97-I237 HydrophobicContact CG2-CG2 3.91Å
98N98.9Very high97.3Very high5 Ų542.8 Ų42.83%0.02725%0.248CC..EExtended strand (participates in β ladder)trans-88.689.7175.3-70.8-49.5000109.6T20 V127 T131 V146 N147 V148T20-N98 WeakPolarHBondContact OG1-CA 3.41Å; N98-V127 HydrophobicContact CB-CG1 4.06Å; N98-V127 HydrophobicContact CB-CG2 4.17Å; N98-T131 PolarHBondContact ND2-OG1 2.94Å; N98-V146 PolarHBondContact N-O 3.44Å; N98-N147 WeakPolarHBondContact CB-OD1 3.44Å; N98-N147 PolarHBondContact ND2-OD1 3.31Å; N98-V148 PolarHBondContact O-N 3.48Å
99S98.6Very high97.3Very high19 Ų1946.1 Ų46.113%0.13325%0.251CS..  trans-113.5-9.7-178.2-171.60000113.6T20 G27 V97 G101T20-S99 VanDerWaalsContact O-CB 3.27Å; T20-S99 WeakPolarHBondContact O-CB 3.34Å; T20-S99 PolarHBondContact OG1-N 2.89Å; G27-S99 WeakPolarHBondContact CA-OG 3.38Å; G27-S99 PolarHBondContact N-OG 3.36Å; V97-S99 PolarHBondContact O-N 3.13Å; S99-G101 PolarHBondContact O-N 3.25Å
100A96.8Very high97.1Very high19 Ų1944.6 Ų44.616%0.15726%0.258CS..  trans-60.1133.4170.600000111.4T20 L73T20-A100 PolarHBondContact OG1-N 2.91Å; L73-A100 HydrophobicContact CD1-CB 4.09Å
101G96.3Very high96.9Very high38 Ų3844.7 Ų44.739%0.39226%0.262SS..  trans-176.2158.3177.900000112.6S99 N123S99-G101 PolarHBondContact O-N 3.25Å; G101-N123 WeakPolarHBondContact CA-OD1 3.28Å
102I97.1Very high96.8Very high33 Ų3346.4 Ų46.417%0.16926%0.257CS..  trans-127.9157.9173.160.8169.6000110.7K118 I119 V122 N123 Y163I102-K118 HydrophobicContact CD1-CD 4.23Å; I102-K118 HydrophobicContact CD1-CG 3.86Å; I102-I119 HydrophobicContact CD1-CG1 4.25Å; I102-I119 HydrophobicContact CG1-CG1 4.43Å; I102-V122 HydrophobicContact CD1-CB 4.2Å; I102-V122 HydrophobicContact CD1-CG2 4.04Å; I102-V122 HydrophobicContact CG1-CB 4Å; I102-V122 HydrophobicContact CG1-CG1 4.07Å; I102-V122 HydrophobicContact CG1-CG2 4.34Å; I102-V122 HydrophobicContact CG2-CG1 4.14Å; I102-N123 PolarHBondContact N-OD1 3.01Å; I102-N123 PolarHBondContact O-ND2 2.85Å; I102-N123 PolarHBondContact O-OD1 2.91Å; I102-Y163 WeakPolarHBondContact O-CD2 3.19Å; I102-Y163 VanDerWaalsContact O-CE2 3.3Å; I102-Y163 WeakPolarHBondContact O-CE2 3.41Å
103L95.9Very high96.7Very high20 Ų2047.3 Ų47.311%0.10527%0.269CS..  trans-122.3140.7170.7-173.4151.9000107.6M105 V160 Y163 V200 A204L103-M105 HydrophobicContact CD2-SD 4.2Å; L103-V160 HydrophobicContact CD2-CG1 4.16Å; L103-Y163 HydrophobicContact CB-CD2 4.05Å; L103-Y163 HydrophobicContact CB-CE2 4.11Å; L103-Y163 HydrophobicContact CD1-CD1 4.02Å; L103-Y163 HydrophobicContact CD1-CD2 4.46Å; L103-Y163 HydrophobicContact CD1-CE1 3.93Å; L103-Y163 HydrophobicContact CD1-CE2 4.37Å; L103-Y163 HydrophobicContact CD1-CG 4.29Å; L103-Y163 HydrophobicContact CG-CD1 4.32Å; L103-Y163 HydrophobicContact CG-CD2 4.15Å; L103-Y163 HydrophobicContact CG-CE2 4.41Å; L103-Y163 HydrophobicContact CG-CG 4.09Å; L103-V200 HydrophobicContact CB-CG2 4.04Å; L103-A204 HydrophobicContact CB-CB 4.31Å; L103-A204 HydrophobicContact CD2-CB 3.32Å; L103-A204 HydrophobicContact CG-CB 4.4Å; L103-A204 WeakPolarHBondContact O-CB 3.39Å
104A93.9Very high96.7Very high20 Ų2050.4 Ų50.417%0.16530%0.295CS..  trans-136.7147.9164.400000109.4Q115 I119A104-Q115 HydrophobicContact CB-CG 4.08Å; A104-I119 HydrophobicContact CB-CD1 3.9Å; A104-I119 HydrophobicContact CB-CG1 4.49Å
105M94Very high96.5Very high96 Ų9652.5 Ų52.547%0.47331%0.305SS..  trans-78.9141.5175.9-60.3-64.8-72.400109.7L103 Q115 G159 V160L103-M105 HydrophobicContact CD2-SD 4.2Å; M105-Q115 PolarHBondContact O-NE2 3.13Å; M105-Q115 PolarHBondContact O-OE1 3.21Å; M105-G159 CarbonylContact C-O 3.49Å; M105-G159 VanDerWaalsContact CA-O 3.28Å; M105-G159 WeakPolarHBondContact CA-O 3.17Å; M105-V160 HydrophobicContact SD-CG1 3.6Å
106G93.4Very high96.5Very high6 Ų656.3 Ų56.36%0.06232%0.319CS..BIsolated β-bridgetrans169.4149.2178.600000113.8S111 G159 V160 L161G106-S111 VanDerWaalsContact CA-OG 3.31Å; G106-S111 WeakPolarHBondContact CA-OG 3.48Å; G106-G159 PolarHBondContact N-O 2.75Å; G106-G159 CarbonylContact O-C 3.54Å; G106-G159 WeakPolarHBondContact O-CA 3.43Å; G106-V160 PolarHBondContact O-N 2.69Å; G106-L161 PolarHBondContact O-N 3.2Å; G106-L161 VanDerWaalsContact O-N 3.1Å
107S95.9Very high96.5Very high33 Ų3360 Ų6023%0.23134%0.339CS..  trans-112.7-178.7171.975.60000110.5E109 T110 S111S107-E109 PolarHBondContact O-N 3.06Å; S107-E109 PolarHBondContact OG-N 3.23Å; S107-E109 VanDerWaalsContact OG-N 3.13Å; S107-T110 PolarHBondContact N-OG1 2.99Å; S107-T110 PolarHBondContact O-N 3.24Å; S107-T110 PolarHBondContact OG-N 2.89Å; S107-T110 PolarHBondContact OG-OG1 2.83Å; S107-S111 PolarHBondContact N-OG 3.11Å; S107-S111 VanDerWaalsContact O-CB 3.25Å; S107-S111 WeakPolarHBondContact O-CB 3.39Å; S107-S111 PolarHBondContact O-N 3.36Å; S107-S111 PolarHBondContact O-OG 2.98Å
108I96.8Very high96.4Very high143 Ų14366.2 Ų66.273%0.73337%0.366SS*.THydrogen-bonded Turntrans-63.9-24.8172.3-16761.7000112.3L161I108-L161 HydrophobicContact CB-CD2 3.97Å; I108-L161 HydrophobicContact CD1-CD2 3.98Å
109E96.8Very high96.4Very high178 Ų17866.1 Ų66.183%0.83237%0.366SS*.THydrogen-bonded Turntrans-88.2-24.8-179.4-64.3170.8-118.600112.5S107S107-E109 PolarHBondContact O-N 3.06Å; S107-E109 PolarHBondContact OG-N 3.23Å; S107-E109 VanDerWaalsContact OG-N 3.13Å
110T95.3Very high96.4Very high105 Ų10567 Ų6764%0.64437%0.368SS*.THydrogen-bonded Turntrans-116.6-14-169.963.40000115.1S107S107-T110 PolarHBondContact N-OG1 2.99Å; S107-T110 PolarHBondContact O-N 3.24Å; S107-T110 PolarHBondContact OG-N 2.89Å; S107-T110 PolarHBondContact OG-OG1 2.83Å
111S93.9Very high96.5Very high34 Ų3469.3 Ų69.324%0.23838%0.378CS..  trans-84.8134.9178.1-50.80000110.7G106 S107 Q115G106-S111 VanDerWaalsContact CA-OG 3.31Å; G106-S111 WeakPolarHBondContact CA-OG 3.48Å; S107-S111 PolarHBondContact N-OG 3.11Å; S107-S111 VanDerWaalsContact O-CB 3.25Å; S107-S111 WeakPolarHBondContact O-CB 3.39Å; S107-S111 PolarHBondContact O-N 3.36Å; S107-S111 PolarHBondContact O-OG 2.98Å; S111-Q115 PolarHBondContact OG-NE2 2.53Å
112D95.8Very high96.6Very high100 Ų10068.3 Ų68.354%0.53536%0.364SS..  trans-92.3169.1167.467.814.8000111.9A114 Q115 Y116D112-A114 VanDerWaalsContact C-N 3.28Å; D112-A114 PolarHBondContact O-N 3.42Å; D112-A114 PolarHBondContact OD1-N 2.95Å; D112-Q115 PolarHBondContact O-N 2.81Å; D112-Q115 VanDerWaalsContact OD1-CB 3.23Å; D112-Q115 WeakPolarHBondContact OD1-CB 3.35Å; D112-Q115 PolarHBondContact OD1-N 3.45Å; D112-Y116 PolarHBondContact O-N 3.35Å; D112-Y116 VanDerWaalsContact O-N 3.16Å
113L97.5Very high96.7Very high133 Ų13366.8 Ų66.870%0.69636%0.356SS*.Hα-helixtrans-66-31.2178.3-72.2176.5000112.3Q115 Y116 D117L113-Q115 PolarHBondContact O-N 2.84Å; L113-Y116 PolarHBondContact O-N 2.87Å; L113-D117 WeakPolarHBondContact O-CB 3.33Å; L113-D117 VanDerWaalsContact O-CG 3.26Å; L113-D117 PolarHBondContact O-N 2.99Å
114A97.6Very high96.8Very high67 Ų6767.4 Ų67.455%0.55436%0.361SS*.Hα-helixtrans-64.1-42178.500000111.8D112 K118D112-A114 VanDerWaalsContact C-N 3.28Å; D112-A114 PolarHBondContact O-N 3.42Å; D112-A114 PolarHBondContact OD1-N 2.95Å; A114-K118 VanDerWaalsContact O-CB 3.25Å; A114-K118 WeakPolarHBondContact O-CB 3.32Å; A114-K118 PolarHBondContact O-N 3.28Å
115Q96.2Very high97Very high53 Ų5371.3 Ų71.325%0.24837%0.371CS..Hα-helixtrans-64.2-45.5173.2176167.5-83.300111.3A104 M105 S111 D112 L113 K118 I119A104-Q115 HydrophobicContact CB-CG 4.08Å; M105-Q115 PolarHBondContact O-NE2 3.13Å; M105-Q115 PolarHBondContact O-OE1 3.21Å; S111-Q115 PolarHBondContact OG-NE2 2.53Å; D112-Q115 PolarHBondContact O-N 2.81Å; D112-Q115 VanDerWaalsContact OD1-CB 3.23Å; D112-Q115 WeakPolarHBondContact OD1-CB 3.35Å; D112-Q115 PolarHBondContact OD1-N 3.45Å; L113-Q115 PolarHBondContact O-N 2.84Å; Q115-K118 PolarHBondContact O-N 3.08Å; Q115-I119 HydrophobicContact CG-CD1 3.95Å; Q115-I119 WeakPolarHBondContact O-CG1 3.38Å; Q115-I119 PolarHBondContact O-N 3.42Å
116Y98.1Very high97.2Very high80 Ų8066.9 Ų66.931%0.31435%0.35SS..Hα-helixtrans-57-52.9176.2171.2-93.4000111.4D112 L113 K118 I119 M120 A162 M165D112-Y116 PolarHBondContact O-N 3.35Å; D112-Y116 VanDerWaalsContact O-N 3.16Å; L113-Y116 PolarHBondContact O-N 2.87Å; Y116-K118 VanDerWaalsContact C-N 3.32Å; Y116-K118 PolarHBondContact O-N 3.42Å; Y116-I119 PolarHBondContact O-N 2.93Å; Y116-M120 HydrophobicContact CD1-CG 4.37Å; Y116-M120 HydrophobicContact CD2-CG 4.2Å; Y116-M120 HydrophobicContact CE1-CG 3.96Å; Y116-M120 HydrophobicContact CE2-CG 3.77Å; Y116-M120 HydrophobicContact CE2-SD 4.38Å; Y116-M120 HydrophobicContact CG-CG 4.48Å; Y116-M120 WeakPolarHBondContact O-CG 3.23Å; Y116-M120 PolarHBondContact O-N 3.47Å; Y116-A162 HydrophobicContact CD2-CB 4.06Å; Y116-M165 HydrophobicContact CE2-CE 4.25Å
117D98.3Very high97.5Very high79 Ų7967 Ų6742%0.42235%0.349SS..Hα-helixtrans-61.3-41.8-178.9-73.1-21.4000111.2L113 I119 M120 N121L113-D117 WeakPolarHBondContact O-CB 3.33Å; L113-D117 VanDerWaalsContact O-CG 3.26Å; L113-D117 PolarHBondContact O-N 2.99Å; D117-I119 PolarHBondContact O-N 2.83Å; D117-M120 PolarHBondContact O-N 2.78Å; D117-N121 WeakPolarHBondContact O-CB 3.43Å; D117-N121 PolarHBondContact O-N 3.32Å; D117-N121 PolarHBondContact O-ND2 2.77Å; D117-N121 VanDerWaalsContact O-ND2 3.16Å
118K98.1Very high97.6Very high130 Ų13071.6 Ų71.657%0.56536%0.363SS*.Hα-helixtrans-60.2-46.4176.3-171.2-175.9-178.2177.30111.8I102 A114 Q115 Y116 V122I102-K118 HydrophobicContact CD1-CD 4.23Å; I102-K118 HydrophobicContact CD1-CG 3.86Å; A114-K118 VanDerWaalsContact O-CB 3.25Å; A114-K118 WeakPolarHBondContact O-CB 3.32Å; A114-K118 PolarHBondContact O-N 3.28Å; Q115-K118 PolarHBondContact O-N 3.08Å; Y116-K118 VanDerWaalsContact C-N 3.32Å; Y116-K118 PolarHBondContact O-N 3.42Å; K118-V122 WeakPolarHBondContact O-CG2 3.47Å; K118-V122 PolarHBondContact O-N 3.32Å; K118-V122 VanDerWaalsContact O-N 3.1Å
119I98.3Very high97.7Very high2 Ų265.9 Ų65.91%0.0133%0.333CS..Hα-helixtrans-63.7-47.7178.3-71.1166.7000110.4I102 A104 Q115 Y116 D117 V122 N123 A162I102-I119 HydrophobicContact CD1-CG1 4.25Å; I102-I119 HydrophobicContact CG1-CG1 4.43Å; A104-I119 HydrophobicContact CB-CD1 3.9Å; A104-I119 HydrophobicContact CB-CG1 4.49Å; Q115-I119 HydrophobicContact CG-CD1 3.95Å; Q115-I119 WeakPolarHBondContact O-CG1 3.38Å; Q115-I119 PolarHBondContact O-N 3.42Å; Y116-I119 PolarHBondContact O-N 2.93Å; D117-I119 PolarHBondContact O-N 2.83Å; I119-V122 PolarHBondContact O-N 2.79Å; I119-N123 WeakPolarHBondContact O-CB 3.39Å; I119-N123 PolarHBondContact O-N 2.72Å; I119-A162 HydrophobicContact CB-CB 4.38Å; I119-A162 HydrophobicContact CD1-CB 3.61Å; I119-A162 HydrophobicContact CG2-CB 4.32Å
120M98.6Very high97.8Very high38 Ų3857.4 Ų57.419%0.18729%0.293CS..Hα-helixtrans-67.5-38.5-178.3-67.3-58.5-70.800112.1Y116 D117 V124 R125Y116-M120 HydrophobicContact CD1-CG 4.37Å; Y116-M120 HydrophobicContact CD2-CG 4.2Å; Y116-M120 HydrophobicContact CE1-CG 3.96Å; Y116-M120 HydrophobicContact CE2-CG 3.77Å; Y116-M120 HydrophobicContact CE2-SD 4.38Å; Y116-M120 HydrophobicContact CG-CG 4.48Å; Y116-M120 WeakPolarHBondContact O-CG 3.23Å; Y116-M120 PolarHBondContact O-N 3.47Å; D117-M120 PolarHBondContact O-N 2.78Å; M120-V124 HydrophobicContact CE-CB 4.22Å; M120-V124 HydrophobicContact CE-CG2 3.73Å; M120-V124 WeakPolarHBondContact O-CA 3.29Å; M120-V124 WeakPolarHBondContact O-CB 3.5Å; M120-V124 PolarHBondContact O-N 3.25Å; M120-V124 HydrophobicContact SD-CG2 3.99Å; M120-R125 PolarHBondContact O-N 2.89Å
121N98.4Very high98Very high68 Ų6852.6 Ų52.636%0.36426%0.264SS..Iπ-helixtrans-62.2-46.4176.4-79.1-28.9000111.6T74 D117 R125 S126T74-N121 HydrophobicContact CG2-CB 4.1Å; D117-N121 WeakPolarHBondContact O-CB 3.43Å; D117-N121 PolarHBondContact O-N 3.32Å; D117-N121 PolarHBondContact O-ND2 2.77Å; D117-N121 VanDerWaalsContact O-ND2 3.16Å; N121-R125 WeakPolarHBondContact O-CB 3.35Å; N121-R125 WeakPolarHBondContact OD1-CD 3.46Å; N121-S126 PolarHBondContact O-N 2.97Å
122V98.3Very high98.2Very high17 Ų1756.2 Ų56.210%0.10328%0.277CS..Iπ-helixtrans-74.3-49.4179.9177.10000111.6T74 I102 K118 I119 S126T74-V122 HydrophobicContact CG2-CB 4.38Å; T74-V122 HydrophobicContact CG2-CG2 3.57Å; I102-V122 HydrophobicContact CD1-CB 4.2Å; I102-V122 HydrophobicContact CD1-CG2 4.04Å; I102-V122 HydrophobicContact CG1-CB 4Å; I102-V122 HydrophobicContact CG1-CG1 4.07Å; I102-V122 HydrophobicContact CG1-CG2 4.34Å; I102-V122 HydrophobicContact CG2-CG1 4.14Å; K118-V122 WeakPolarHBondContact O-CG2 3.47Å; K118-V122 PolarHBondContact O-N 3.32Å; K118-V122 VanDerWaalsContact O-N 3.1Å; I119-V122 PolarHBondContact O-N 2.79Å; V122-S126 WeakPolarHBondContact O-CB 3.41Å; V122-S126 PolarHBondContact O-OG 3.02Å
123N98.7Very high98.4Very high1 Ų154 Ų541%0.00526%0.264CS..Iπ-helixtrans-84.2-22.6-168.9-67.7-1000113.7G101 I102 I119 V127 S166 I170G101-N123 WeakPolarHBondContact CA-OD1 3.28Å; I102-N123 PolarHBondContact N-OD1 3.01Å; I102-N123 PolarHBondContact O-ND2 2.85Å; I102-N123 PolarHBondContact O-OD1 2.91Å; I119-N123 WeakPolarHBondContact O-CB 3.39Å; I119-N123 PolarHBondContact O-N 2.72Å; N123-V127 WeakPolarHBondContact O-CG2 3.29Å; N123-S166 PolarHBondContact ND2-OG 3.27Å; N123-I170 VanDerWaalsContact O-CD1 3.31Å; N123-I170 WeakPolarHBondContact O-CD1 3.29Å; N123-I170 WeakPolarHBondContact O-CG1 3.29Å
124V98.8Very high98.4Very high33 Ų3347.6 Ų47.620%0.223%0.231CC..Iπ-helixtrans-122.1-58.8-173.3-173.10000111.7M120 S126 V127 Y128 A169M120-V124 HydrophobicContact CE-CB 4.22Å; M120-V124 HydrophobicContact CE-CG2 3.73Å; M120-V124 WeakPolarHBondContact O-CA 3.29Å; M120-V124 WeakPolarHBondContact O-CB 3.5Å; M120-V124 PolarHBondContact O-N 3.25Å; M120-V124 HydrophobicContact SD-CG2 3.99Å; V124-S126 VanDerWaalsContact C-N 3.33Å; V124-S126 PolarHBondContact O-N 3.05Å; V124-V127 PolarHBondContact O-N 3.32Å; V124-Y128 PolarHBondContact O-N 2.84Å; V124-A169 HydrophobicContact CG1-CB 4.24Å; V124-A169 HydrophobicContact CG2-CB 4.02Å
125R98.7Very high98.5Very high102 Ų10245.7 Ų45.739%0.38521%0.212SC..Iπ-helixtrans-59.3-44.8-175.5-171.3-173.7-176.7-86.3-3.5111.6E76 M120 N121 V127 Y128 H129E76-R125 IonicContact OE1-CZ 3.64Å; E76-R125 IonicContact OE1-NH1 3.41Å; E76-R125 IonicContact OE1-NH2 3.71Å; E76-R125 PolarHBondContact OE1-NH2 3.45Å; M120-R125 PolarHBondContact O-N 2.89Å; N121-R125 WeakPolarHBondContact O-CB 3.35Å; N121-R125 WeakPolarHBondContact OD1-CD 3.46Å; R125-V127 PolarHBondContact O-N 2.86Å; R125-Y128 PolarHBondContact O-N 2.82Å; R125-H129 WeakPolarHBondContact O-CB 3.29Å; R125-H129 PolarHBondContact O-N 3.36Å
126S98.5Very high98.6Very high3 Ų346.4 Ų46.42%0.02122%0.222CC..Hα-helixtrans-61.1-43.9179.283.20000112.2L73 N121 V122 V124 H129 L130L73-S126 WeakPolarHBondContact O-CB 3.34Å; N121-S126 PolarHBondContact O-N 2.97Å; V122-S126 WeakPolarHBondContact O-CB 3.41Å; V122-S126 PolarHBondContact O-OG 3.02Å; V124-S126 VanDerWaalsContact C-N 3.33Å; V124-S126 PolarHBondContact O-N 3.05Å; S126-H129 PolarHBondContact O-N 3.36Å; S126-L130 VanDerWaalsContact O-CB 3.26Å; S126-L130 WeakPolarHBondContact O-CB 3.43Å; S126-L130 PolarHBondContact O-N 2.83Å
127V98.8Very high98.6Very high8 Ų844.6 Ų44.65%0.04822%0.216CC..Hα-helixtrans-64.2-45.2179.21750000110.6N98 N123 V124 R125 T131 I170 F173N98-V127 HydrophobicContact CB-CG1 4.06Å; N98-V127 HydrophobicContact CB-CG2 4.17Å; N123-V127 WeakPolarHBondContact O-CG2 3.29Å; V124-V127 PolarHBondContact O-N 3.32Å; R125-V127 PolarHBondContact O-N 2.86Å; V127-T131 WeakPolarHBondContact O-CB 3.24Å; V127-T131 PolarHBondContact O-N 3.04Å; V127-T131 PolarHBondContact O-OG1 3.12Å; V127-I170 HydrophobicContact CB-CD1 3.92Å; V127-I170 HydrophobicContact CG1-CD1 3.8Å; V127-I170 HydrophobicContact CG2-CD1 4.13Å; V127-F173 HydrophobicContact CG1-CD1 4.3Å; V127-F173 HydrophobicContact CG1-CE1 3.99Å
128Y98.8Very high98.7Very high130 Ų13040.8 Ų40.851%0.5120%0.196SC..Hα-helixtrans-59.3-54.6177.1-178.1-81.8000111.1V124 R125 T131 Q132 F173V124-Y128 PolarHBondContact O-N 2.84Å; R125-Y128 PolarHBondContact O-N 2.82Å; Y128-T131 PolarHBondContact O-N 2.99Å; Y128-Q132 WeakPolarHBondContact O-CB 3.45Å; Y128-Q132 PolarHBondContact O-N 3.35Å; Y128-F173 HydrophobicContact CD2-CD2 4.14Å; Y128-F173 AromaticContact CD2-CE2 3.54Å; Y128-F173 HydrophobicContact CD2-CE2 3.54Å; Y128-F173 HydrophobicContact CD2-CZ 4.33Å; Y128-F173 HydrophobicContact CE2-CE2 4.13Å; Y128-F173 HydrophobicContact CG-CE2 4.37Å
129H98.8Very high98.7Very high23 Ų2337.4 Ų37.411%0.10618%0.183CC..Hα-helixtrans-66.3-44.1-174.6-176.3-151.2000112R125 S126 T131 Q132 L133R125-H129 WeakPolarHBondContact O-CB 3.29Å; R125-H129 PolarHBondContact O-N 3.36Å; S126-H129 PolarHBondContact O-N 3.36Å; H129-T131 PolarHBondContact O-N 3.16Å; H129-Q132 WeakPolarHBondContact O-CB 3.43Å; H129-Q132 PolarHBondContact O-N 2.82Å; H129-L133 PolarHBondContact O-N 2.69Å
130L98.9Very high98.7Very high0 Ų045.2 Ų45.20%022%0.217CC..Hα-helixtrans-62.3-45.2176.5-177.963.1000111.3L18 T20 L73 V79 T82 V83 L96 S126 Q132 L133 C134L18-L130 HydrophobicContact CD2-CD1 4.23Å; T20-L130 HydrophobicContact CG2-CD2 3.31Å; L73-L130 HydrophobicContact CD1-CD2 4.38Å; V79-L130 HydrophobicContact CG1-CB 3.85Å; V79-L130 HydrophobicContact CG1-CD1 3.76Å; V79-L130 HydrophobicContact CG1-CG 4.42Å; T82-L130 HydrophobicContact CG2-CD1 4.45Å; V83-L130 HydrophobicContact CG2-CD1 3.55Å; L96-L130 HydrophobicContact CD1-CD2 4Å; L96-L130 HydrophobicContact CD1-CG 4.36Å; S126-L130 VanDerWaalsContact O-CB 3.26Å; S126-L130 WeakPolarHBondContact O-CB 3.43Å; S126-L130 PolarHBondContact O-N 2.83Å; L130-Q132 VanDerWaalsContact C-N 3.32Å; L130-Q132 PolarHBondContact O-N 2.86Å; L130-L133 PolarHBondContact O-N 2.97Å; L130-C134 PolarHBondContact O-N 3.39Å; L130-C134 PolarHBondContact O-SG 3.33Å; L130-C134 VanDerWaalsContact O-SG 3.36Å
131T98.9Very high98.7Very high4 Ų444.8 Ų44.83%0.02522%0.217CC..Hα-helixtrans-59.4-45.4177.9-620000110.9N98 V127 Y128 H129 L133 C134 V135 I145 F173 I177N98-T131 PolarHBondContact ND2-OG1 2.94Å; V127-T131 WeakPolarHBondContact O-CB 3.24Å; V127-T131 PolarHBondContact O-N 3.04Å; V127-T131 PolarHBondContact O-OG1 3.12Å; Y128-T131 PolarHBondContact O-N 2.99Å; H129-T131 PolarHBondContact O-N 3.16Å; T131-L133 VanDerWaalsContact C-N 3.28Å; T131-L133 PolarHBondContact O-N 3.24Å; T131-C134 PolarHBondContact O-N 2.99Å; T131-C134 VanDerWaalsContact O-N 3.11Å; T131-V135 HydrophobicContact CG2-CG2 4.05Å; T131-V135 VanDerWaalsContact O-CG2 3.24Å; T131-V135 WeakPolarHBondContact O-CG2 3.44Å; T131-V135 PolarHBondContact O-N 2.87Å; T131-I145 HydrophobicContact CG2-CD1 3.76Å; T131-F173 HydrophobicContact CG2-CE1 4.34Å; T131-F173 HydrophobicContact CG2-CZ 4.03Å; T131-I177 HydrophobicContact CG2-CD1 3.84Å
132Q98.8Very high98.7Very high109 Ų10948 Ų4851%0.50923%0.227SC..Hα-helixtrans-53.3-45.2177.5-175.4-176.224.200112.1Y128 H129 L130 P136Y128-Q132 WeakPolarHBondContact O-CB 3.45Å; Y128-Q132 PolarHBondContact O-N 3.35Å; H129-Q132 WeakPolarHBondContact O-CB 3.43Å; H129-Q132 PolarHBondContact O-N 2.82Å; L130-Q132 VanDerWaalsContact C-N 3.32Å; L130-Q132 PolarHBondContact O-N 2.86Å; Q132-P136 WeakPolarHBondContact O-CD 3.45Å
133L98.9Very high98.7Very high53 Ų5347.5 Ų47.528%0.27723%0.226SC..Hα-helixtrans-73.5-31.5179.3-64.2-178.4000113V79 R80 V83 H129 L130 T131V79-L133 HydrophobicContact CG1-CD1 3.96Å; R80-L133 HydrophobicContact CG-CD1 3.88Å; V83-L133 HydrophobicContact CB-CB 4.47Å; V83-L133 HydrophobicContact CG1-CB 4.44Å; V83-L133 HydrophobicContact CG2-CB 3.85Å; V83-L133 HydrophobicContact CG2-CD1 4.49Å; H129-L133 PolarHBondContact O-N 2.69Å; L130-L133 PolarHBondContact O-N 2.97Å; T131-L133 VanDerWaalsContact C-N 3.28Å; T131-L133 PolarHBondContact O-N 3.24Å
134C98.9Very high98.7Very high0 Ų047.6 Ų47.60%023%0.226CC..Hα-helixtrans-77.2-28.5178.2-71.60000113.8L93 L96 L130 T131 H137 L138L93-C134 HydrophobicContact CD2-CB 3.69Å; L96-C134 HydrophobicContact CD2-CB 4.01Å; L130-C134 PolarHBondContact O-N 3.39Å; L130-C134 PolarHBondContact O-SG 3.33Å; L130-C134 VanDerWaalsContact O-SG 3.36Å; T131-C134 PolarHBondContact O-N 2.99Å; T131-C134 VanDerWaalsContact O-N 3.11Å; C134-H137 WeakPolarHBondContact O-CB 3.44Å; C134-H137 PolarHBondContact O-N 3.23Å; C134-L138 HydrophobicContact CB-CD1 3.94Å; C134-L138 PolarHBondContact O-N 3.37Å
135V98.8Very high98.7Very high26 Ų2646 Ų4616%0.15822%0.217CC..Hα-helixtrans-52.6-47.2-173.5159.60000113.6T131 H137 L138 I139 L181T131-V135 HydrophobicContact CG2-CG2 4.05Å; T131-V135 VanDerWaalsContact O-CG2 3.24Å; T131-V135 WeakPolarHBondContact O-CG2 3.44Å; T131-V135 PolarHBondContact O-N 2.87Å; V135-H137 PolarHBondContact O-N 2.97Å; V135-H137 VanDerWaalsContact O-N 3.14Å; V135-L138 PolarHBondContact O-N 3.38Å; V135-I139 HydrophobicContact CG1-CD1 3.55Å; V135-I139 HydrophobicContact CG1-CG1 4.18Å; V135-I139 WeakPolarHBondContact O-CD1 3.45Å; V135-I139 VanDerWaalsContact O-CG1 3.24Å; V135-I139 WeakPolarHBondContact O-CG1 3.41Å; V135-I139 PolarHBondContact O-N 2.71Å; V135-L181 HydrophobicContact CG1-CD2 3.78Å; V135-L181 HydrophobicContact CG2-CD1 3.87Å; V135-L181 HydrophobicContact CG2-CD2 4.34Å
136P98.8Very high98.8Very high68 Ų6841.1 Ų41.144%0.44220%0.198SC..Hα-helixtrans-56.4-31.4177.6-27.235.8000114Q132 K140Q132-P136 WeakPolarHBondContact O-CD 3.45Å; P136-K140 WeakPolarHBondContact O-CG 3.46Å
137H98.8Very high98.8Very high42 Ų4241 Ų4119%0.19420%0.198CC..Hα-helixtrans-83.5-38.3179.5-57.3-79.9000112I87 L93 C134 V135 I139 K140 T141I87-H137 HydrophobicContact CD1-CB 3.77Å; I87-H137 VanDerWaalsContact CD1-CG 3.44Å; I87-H137 WeakPolarHBondContact CD1-ND1 3.39Å; L93-H137 HydrophobicContact CB-CB 3.98Å; C134-H137 WeakPolarHBondContact O-CB 3.44Å; C134-H137 PolarHBondContact O-N 3.23Å; V135-H137 PolarHBondContact O-N 2.97Å; V135-H137 VanDerWaalsContact O-N 3.14Å; H137-I139 VanDerWaalsContact C-N 3.32Å; H137-I139 PolarHBondContact O-N 3.37Å; H137-K140 WeakPolarHBondContact O-CB 3.34Å; H137-K140 PolarHBondContact O-N 3.33Å; H137-T141 PolarHBondContact O-N 2.93Å; H137-T141 PolarHBondContact O-OG1 2.98Å
138L98.9Very high98.8Very high0 Ų041.2 Ų41.20%020%0.199CC..Hα-helixtrans-65.3-35175.1-69.6164.1000112.2L93 L96 C134 V135 K140 T141 K142 G143 I145 V186L93-L138 HydrophobicContact CD2-CD2 4.25Å; L93-L138 HydrophobicContact CD2-CG 4.14Å; L93-L138 HydrophobicContact CG-CD2 3.97Å; L93-L138 HydrophobicContact CG-CG 4.32Å; L96-L138 HydrophobicContact CB-CD1 4.22Å; C134-L138 HydrophobicContact CB-CD1 3.94Å; C134-L138 PolarHBondContact O-N 3.37Å; V135-L138 PolarHBondContact O-N 3.38Å; L138-K140 VanDerWaalsContact C-N 3.32Å; L138-K140 PolarHBondContact O-N 3.47Å; L138-T141 PolarHBondContact O-N 3.17Å; L138-T141 PolarHBondContact O-OG1 3.22Å; L138-T141 VanDerWaalsContact O-OG1 3.04Å; L138-K142 PolarHBondContact O-N 3.19Å; L138-G143 PolarHBondContact O-N 2.72Å; L138-I145 HydrophobicContact CD1-CD1 3.75Å; L138-I145 HydrophobicContact CD1-CG1 3.57Å; L138-V186 HydrophobicContact CB-CG1 4.22Å; L138-V186 HydrophobicContact CB-CG2 4.21Å; L138-V186 WeakPolarHBondContact O-CG2 3.37Å
139I98.8Very high98.8Very high59 Ų5935.1 Ų35.130%0.30318%0.175SC..Hα-helixtrans-60.2-42.6174.5-70.8163.6000110.8V135 H137 T141 K142 K184 V186V135-I139 HydrophobicContact CG1-CD1 3.55Å; V135-I139 HydrophobicContact CG1-CG1 4.18Å; V135-I139 WeakPolarHBondContact O-CD1 3.45Å; V135-I139 VanDerWaalsContact O-CG1 3.24Å; V135-I139 WeakPolarHBondContact O-CG1 3.41Å; V135-I139 PolarHBondContact O-N 2.71Å; H137-I139 VanDerWaalsContact C-N 3.32Å; H137-I139 PolarHBondContact O-N 3.37Å; I139-T141 PolarHBondContact O-N 3Å; I139-K142 PolarHBondContact O-N 3.13Å; I139-K184 HydrophobicContact CD1-CD 3.58Å; I139-K184 HydrophobicContact CG1-CB 4.12Å; I139-K184 HydrophobicContact CG1-CD 3.88Å; I139-K184 HydrophobicContact CG2-CB 4.35Å; I139-V186 HydrophobicContact CG1-CG2 4.12Å
140K98.7Very high98.7Very high166 Ų16634.4 Ų34.472%0.72217%0.173SC*.Hα-helixtrans-62.7-32.2-179.6-67.9174.9-177.2-179.70112.4P136 H137 L138P136-K140 WeakPolarHBondContact O-CG 3.46Å; H137-K140 WeakPolarHBondContact O-CB 3.34Å; H137-K140 PolarHBondContact O-N 3.33Å; L138-K140 VanDerWaalsContact C-N 3.32Å; L138-K140 PolarHBondContact O-N 3.47Å
141T98.4Very high98.7Very high29 Ų2934.5 Ų34.518%0.17817%0.173CC..Hα-helixtrans-97.4-6.3-177.956.60000113.6R92 L93 D94 H137 L138 I139 G143R92-T141 HydrophobicContact CB-CG2 4.04Å; L93-T141 WeakPolarHBondContact O-CB 3.48Å; L93-T141 VanDerWaalsContact O-CG2 3.25Å; L93-T141 WeakPolarHBondContact O-CG2 3.39Å; L93-T141 PolarHBondContact O-OG1 3.45Å; D94-T141 VanDerWaalsContact OD1-CB 3.26Å; D94-T141 WeakPolarHBondContact OD1-CB 3.49Å; D94-T141 WeakPolarHBondContact OD1-CG2 3.47Å; H137-T141 PolarHBondContact O-N 2.93Å; H137-T141 PolarHBondContact O-OG1 2.98Å; L138-T141 PolarHBondContact O-N 3.17Å; L138-T141 PolarHBondContact O-OG1 3.22Å; L138-T141 VanDerWaalsContact O-OG1 3.04Å; I139-T141 PolarHBondContact O-N 3Å; T141-G143 PolarHBondContact O-N 3.13Å; T141-G143 PolarHBondContact OG1-N 3.47Å
142K98.6Very high98.6Very high135 Ų13535.1 Ų35.159%0.58718%0.177SC*.THydrogen-bonded Turntrans52.745.7-168-53.5-177.5179.4-174.90110.7L138 I139 H185L138-K142 PolarHBondContact O-N 3.19Å; I139-K142 PolarHBondContact O-N 3.13Å; K142-H185 CarbonylContact C-O 3.5Å; K142-H185 HydrophobicContact CB-CB 3.9Å; K142-H185 HydrophobicContact CD-CB 3.86Å; K142-H185 HydrophobicContact CG-CB 3.88Å
143G98.4Very high98.5Very high7 Ų730.5 Ų30.57%0.07216%0.158CC..  trans-74.8-167.2-168.100000115.2D94 L138 T141 V186 R187D94-G143 CarbonylContact O-C 3.57Å; D94-G143 WeakPolarHBondContact O-CA 3.22Å; L138-G143 PolarHBondContact O-N 2.72Å; T141-G143 PolarHBondContact O-N 3.13Å; T141-G143 PolarHBondContact OG1-N 3.47Å; G143-V186 WeakPolarHBondContact O-CA 3.41Å; G143-R187 PolarHBondContact O-N 2.96Å; G143-R187 VanDerWaalsContact O-N 3.11Å
144S98.8Very high98.3Very high2 Ų231.5 Ų31.51%0.01416%0.161CC..EExtended strand (participates in β ladder)trans-133.9142.2-179.6-171.20000112D94 V95 L96 R187 L240D94-S144 PolarHBondContact O-N 3.43Å; V95-S144 CarbonylContact C-O 3.46Å; V95-S144 VanDerWaalsContact CA-O 3.28Å; V95-S144 WeakPolarHBondContact CA-O 3.48Å; L96-S144 PolarHBondContact N-O 2.85Å; S144-R187 CarbonylContact C-O 3.45Å; S144-R187 WeakPolarHBondContact CA-O 3.14Å; S144-R187 PolarHBondContact OG-NH2 3.16Å; S144-L240 PolarHBondContact OG-O 3.14Å
145I98.9Very high98.1Very high0 Ų035 Ų350%017%0.174CC..EExtended strand (participates in β ladder)trans-112.3131.9170.3-56172.3000108.2L96 T131 L138 I177 L181 V186 R187 V188 N189L96-I145 HydrophobicContact CB-CG1 4.29Å; L96-I145 HydrophobicContact CB-CG2 4.49Å; L96-I145 HydrophobicContact CD2-CG1 4.5Å; L96-I145 HydrophobicContact CD2-CG2 4.28Å; L96-I145 HydrophobicContact CG-CG2 4.44Å; L96-I145 CarbonylContact O-C 3.42Å; L96-I145 WeakPolarHBondContact O-CA 3.34Å; T131-I145 HydrophobicContact CG2-CD1 3.76Å; L138-I145 HydrophobicContact CD1-CD1 3.75Å; L138-I145 HydrophobicContact CD1-CG1 3.57Å; I145-I177 HydrophobicContact CD1-CD1 4.18Å; I145-L181 HydrophobicContact CD1-CD1 4.2Å; I145-V186 HydrophobicContact CD1-CG1 4.47Å; I145-V186 HydrophobicContact CG1-CG1 4.46Å; I145-R187 PolarHBondContact N-O 3.34Å; I145-V188 HydrophobicContact CB-CB 4.33Å; I145-V188 HydrophobicContact CB-CG1 3.87Å; I145-V188 HydrophobicContact CB-CG2 4.18Å; I145-V188 HydrophobicContact CD1-CG2 3.95Å; I145-V188 HydrophobicContact CG1-CG2 4.35Å; I145-V188 HydrophobicContact CG2-CG1 4.05Å; I145-V188 WeakPolarHBondContact O-CA 3.43Å; I145-N189 PolarHBondContact O-N 3.2Å
146V98.9Very high97.8Very high0 Ų039.2 Ų39.20%021%0.205CC..EExtended strand (participates in β ladder)trans-124.3112.7172-171.60000109.5L96 V97 N98 N189 V191 I237 L240 A241L96-V146 PolarHBondContact O-N 3.31Å; V97-V146 WeakPolarHBondContact CA-O 3.26Å; N98-V146 PolarHBondContact N-O 3.44Å; V146-N189 CarbonylContact C-O 3.52Å; V146-N189 WeakPolarHBondContact CA-O 3.27Å; V146-V191 HydrophobicContact CG1-CG1 4.25Å; V146-I237 HydrophobicContact CB-CG2 4.2Å; V146-I237 HydrophobicContact CG1-CB 4.33Å; V146-I237 HydrophobicContact CG1-CG1 4.04Å; V146-I237 HydrophobicContact CG1-CG2 4.01Å; V146-I237 HydrophobicContact CG2-CG2 4.5Å; V146-L240 HydrophobicContact CG1-CB 4.5Å; V146-L240 HydrophobicContact CG1-CD1 4.29Å; V146-L240 HydrophobicContact CG2-CB 3.9Å; V146-A241 HydrophobicContact CG2-CB 4.29Å
147N98.9Very high97.5Very high1 Ų138.4 Ų38.41%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-90.4136176-62.3-37.9000110.5N98 S149 I170 T174 N189 S190 V191N98-N147 WeakPolarHBondContact CB-OD1 3.44Å; N98-N147 PolarHBondContact ND2-OD1 3.31Å; N147-S149 PolarHBondContact O-N 3.39Å; N147-I170 HydrophobicContact CB-CG2 3.79Å; N147-T174 PolarHBondContact ND2-OG1 3.13Å; N147-N189 PolarHBondContact N-O 2.87Å; N147-S190 CarbonylContact O-C 3.53Å; N147-S190 WeakPolarHBondContact O-CA 3.45Å; N147-S190 WeakPolarHBondContact O-CB 3.33Å; N147-V191 PolarHBondContact O-N 3.12Å
148V98.8Very high97.3Very high11 Ų1142.4 Ų42.47%0.06722%0.224CC..EExtended strand (participates in β ladder)trans-91.398.1170.8-173.80000108.8I26 V97 N98 K167 V191 P193 I237I26-V148 HydrophobicContact CD1-CG1 4.02Å; I26-V148 HydrophobicContact CG2-CG1 4.32Å; I26-V148 HydrophobicContact CG2-CG2 4.22Å; V97-V148 HydrophobicContact CG1-CG2 4.49Å; N98-V148 PolarHBondContact O-N 3.48Å; V148-K167 PolarHBondContact O-NZ 3.27Å; V148-V191 HydrophobicContact CB-CG2 4.22Å; V148-V191 HydrophobicContact CG1-CG2 4.19Å; V148-V191 HydrophobicContact CG2-CG2 3.96Å; V148-P193 HydrophobicContact CG1-CG 4.21Å; V148-I237 HydrophobicContact CG2-CD1 3.92Å
149S98.5Very high97.1Very high3 Ų343.7 Ų43.72%0.02124%0.237CC..  trans-86.5-135.2174.4-1680000110.6N147 K167 D171 V191N147-S149 PolarHBondContact O-N 3.39Å; S149-K167 PolarHBondContact OG-O 3.45Å; S149-D171 WeakPolarHBondContact CB-OD1 3.37Å; S149-D171 PolarHBondContact OG-OD1 3.28Å; S149-V191 WeakPolarHBondContact CA-O 3.44Å; S149-V191 PolarHBondContact N-O 2.98Å
150S98.4Very high96.9Very high8 Ų841.5 Ų41.56%0.05623%0.227CC..  trans-168.2159176.7179.90000109.7N152 G153S150-N152 PolarHBondContact O-N 2.95Å; S150-N152 VanDerWaalsContact O-N 3.11Å; S150-N152 PolarHBondContact OG-N 3.35Å; S150-N152 VanDerWaalsContact OG-N 3.14Å; S150-N152 PolarHBondContact OG-OD1 2.95Å; S150-G153 PolarHBondContact O-N 3.48Å
151V97.6Very high96.9Very high1 Ų136.8 Ų36.81%0.00621%0.209CC..Hα-helixtrans-51.3-28.3162.166.20000112G153 Q154 R155 F157 P193 R259 H260V151-G153 PolarHBondContact O-N 3.06Å; V151-Q154 PolarHBondContact O-N 3.48Å; V151-R155 HydrophobicContact CG2-CB 4.34Å; V151-R155 HydrophobicContact CG2-CG 4.18Å; V151-R155 WeakPolarHBondContact O-CB 3.31Å; V151-R155 PolarHBondContact O-N 3.39Å; V151-F157 HydrophobicContact CG1-CE2 3.99Å; V151-F157 HydrophobicContact CG1-CZ 4.35Å; V151-F157 HydrophobicContact CG2-CE2 4.23Å; V151-F157 HydrophobicContact CG2-CZ 4.28Å; V151-P193 PolarHBondContact N-O 3.21Å; V151-R259 HydrophobicContact CG2-CG 4.26Å; V151-H260 HydrophobicContact CG2-CB 4.04Å
152N97.1Very high96.8Very high18 Ų1835.6 Ų35.610%0.09620%0.203CC..Hα-helixtrans-65.8-14.5174.4-70.762.8000114.6S150 R155 F157 V160 Y163 C164S150-N152 PolarHBondContact O-N 2.95Å; S150-N152 VanDerWaalsContact O-N 3.11Å; S150-N152 PolarHBondContact OG-N 3.35Å; S150-N152 VanDerWaalsContact OG-N 3.14Å; S150-N152 PolarHBondContact OG-OD1 2.95Å; N152-R155 CarbonylContact C-O 3.6Å; N152-R155 VanDerWaalsContact CA-O 3.27Å; N152-R155 WeakPolarHBondContact CA-O 3.29Å; N152-F157 HydrophobicContact CB-CD2 4.44Å; N152-F157 WeakPolarHBondContact ND2-CD2 3.27Å; N152-V160 WeakPolarHBondContact ND2-CG2 3.27Å; N152-Y163 HydrophobicContact CB-CD1 3.95Å; N152-Y163 HydrophobicContact CB-CE1 3.82Å; N152-C164 PolarHBondContact ND2-SG 2.92Å; N152-C164 WeakPolarHBondContact O-CA 3.49Å
153G96.5Very high96.8Very high11 Ų1130.4 Ų30.411%0.11318%0.179CC..Hα-helixtrans-80.4-23.3171.300000113.2S150 V151 S168S150-G153 PolarHBondContact O-N 3.48Å; V151-G153 PolarHBondContact O-N 3.06Å; G153-S168 PolarHBondContact O-OG 3.46Å
154Q95Very high96.8Very high75 Ų7530.7 Ų30.735%0.3518%0.18SC..Hα-helixtrans-105.3-25.4-179-61.6178.7-46.600112.5V151 D171V151-Q154 PolarHBondContact O-N 3.48Å; Q154-D171 WeakPolarHBondContact CG-OD2 3.41Å
155R94.3Very high96.8Very high72 Ų7234.9 Ų34.927%0.27220%0.201SC..SBendtrans-131.5141.2-175.7-63.9-73.1-66.2-119.2-4.7109.7V151 N152 F157 H260 M262V151-R155 HydrophobicContact CG2-CB 4.34Å; V151-R155 HydrophobicContact CG2-CG 4.18Å; V151-R155 WeakPolarHBondContact O-CB 3.31Å; V151-R155 PolarHBondContact O-N 3.39Å; N152-R155 CarbonylContact C-O 3.6Å; N152-R155 VanDerWaalsContact CA-O 3.27Å; N152-R155 WeakPolarHBondContact CA-O 3.29Å; R155-F157 HydrophobicContact CB-CE2 3.71Å; R155-F157 HydrophobicContact CB-CZ 3.97Å; R155-H260 HydrophobicContact CG-CB 4.25Å; R155-H260 PolarHBondContact NH1-O 2.83Å; R155-M262 VanDerWaalsContact CZ-O 3.23Å; R155-M262 PolarHBondContact NH1-O 2.93Å; R155-M262 PolarHBondContact NH2-O 3.18Å
156S93.3Very high96.8Very high115 Ų11534.9 Ų34.980%0.80420%0.201SC*.  trans-86.5138.4175.5-480000110.9
157F92.9Very high96.8Very high51 Ų5135.5 Ų35.522%0.22420%0.203CC..  trans-130.5135.2172.1-61.3-84.8000109.6V151 N152 R155 V160 R259V151-F157 HydrophobicContact CG1-CE2 3.99Å; V151-F157 HydrophobicContact CG1-CZ 4.35Å; V151-F157 HydrophobicContact CG2-CE2 4.23Å; V151-F157 HydrophobicContact CG2-CZ 4.28Å; N152-F157 HydrophobicContact CB-CD2 4.44Å; N152-F157 WeakPolarHBondContact ND2-CD2 3.27Å; R155-F157 HydrophobicContact CB-CE2 3.71Å; R155-F157 HydrophobicContact CB-CZ 3.97Å; F157-V160 HydrophobicContact CB-CG2 3.99Å; F157-V160 WeakPolarHBondContact O-CG2 3.27Å; F157-R259 VanDerWaalsContact CE1-NH2 3.33Å; F157-R259 HydrophobicContact CZ-CG 4.47Å
158P93.1Very high96.7Very high126 Ų12637.9 Ų37.982%0.81822%0.22SC*.THydrogen-bonded Turntrans-66.6151.8177.428.6-34.3000111.1V160P158-V160 VanDerWaalsContact C-N 3.34Å; P158-V160 PolarHBondContact O-N 3.38Å
159G94.4Very high96.7Very high27 Ų2739 Ų3928%0.27823%0.231SC..THydrogen-bonded Turntrans80.36.6175.900000115.5M105 G106M105-G159 CarbonylContact C-O 3.49Å; M105-G159 VanDerWaalsContact CA-O 3.28Å; M105-G159 WeakPolarHBondContact CA-O 3.17Å; G106-G159 PolarHBondContact N-O 2.75Å; G106-G159 CarbonylContact O-C 3.54Å; G106-G159 WeakPolarHBondContact O-CA 3.43Å
160V95.9Very high96.8Very high13 Ų1339 Ų398%0.07923%0.231CC..BIsolated β-bridgetrans-140.944.4176.9-72.90000111.3L103 M105 G106 N152 F157 P158 Y163 C164L103-V160 HydrophobicContact CD2-CG1 4.16Å; M105-V160 HydrophobicContact SD-CG1 3.6Å; G106-V160 PolarHBondContact O-N 2.69Å; N152-V160 WeakPolarHBondContact ND2-CG2 3.27Å; F157-V160 HydrophobicContact CB-CG2 3.99Å; F157-V160 WeakPolarHBondContact O-CG2 3.27Å; P158-V160 VanDerWaalsContact C-N 3.34Å; P158-V160 PolarHBondContact O-N 3.38Å; V160-Y163 PolarHBondContact O-N 2.95Å; V160-C164 PolarHBondContact O-N 2.99Å; V160-C164 PolarHBondContact O-SG 3.49Å; V160-C164 VanDerWaalsContact O-SG 3.39Å
161L97.3Very high96.8Very high67 Ų6738.9 Ų38.935%0.35123%0.229SC..Hα-helixtrans-54.7-61.3-168.9176.564000113.5G106 I108 Y163 C164 M165G106-L161 PolarHBondContact O-N 3.2Å; G106-L161 VanDerWaalsContact O-N 3.1Å; I108-L161 HydrophobicContact CB-CD2 3.97Å; I108-L161 HydrophobicContact CD1-CD2 3.98Å; L161-Y163 PolarHBondContact O-N 3.37Å; L161-C164 PolarHBondContact O-N 2.74Å; L161-M165 HydrophobicContact CD1-SD 4.4Å; L161-M165 HydrophobicContact CG-SD 4.44Å; L161-M165 PolarHBondContact O-N 2.58Å
162A97.9Very high96.8Very high5 Ų543.3 Ų43.34%0.04125%0.25CC..Hα-helixtrans-62.8-32.8-177.700000112Y116 I119 M165 S166Y116-A162 HydrophobicContact CD2-CB 4.06Å; I119-A162 HydrophobicContact CB-CB 4.38Å; I119-A162 HydrophobicContact CD1-CB 3.61Å; I119-A162 HydrophobicContact CG2-CB 4.32Å; A162-M165 PolarHBondContact O-N 3.04Å; A162-S166 WeakPolarHBondContact O-CB 3.27Å; A162-S166 PolarHBondContact O-N 3.43Å
163Y98.2Very high96.9Very high25 Ų2544 Ų4410%0.09825%0.252CS..Hα-helixtrans-65-48.7174.6-178.2-102.9000111.8I102 L103 N152 V160 L161 M165 S166 K167I102-Y163 WeakPolarHBondContact O-CD2 3.19Å; I102-Y163 VanDerWaalsContact O-CE2 3.3Å; I102-Y163 WeakPolarHBondContact O-CE2 3.41Å; L103-Y163 HydrophobicContact CB-CD2 4.05Å; L103-Y163 HydrophobicContact CB-CE2 4.11Å; L103-Y163 HydrophobicContact CD1-CD1 4.02Å; L103-Y163 HydrophobicContact CD1-CD2 4.46Å; L103-Y163 HydrophobicContact CD1-CE1 3.93Å; L103-Y163 HydrophobicContact CD1-CE2 4.37Å; L103-Y163 HydrophobicContact CD1-CG 4.29Å; L103-Y163 HydrophobicContact CG-CD1 4.32Å; L103-Y163 HydrophobicContact CG-CD2 4.15Å; L103-Y163 HydrophobicContact CG-CE2 4.41Å; L103-Y163 HydrophobicContact CG-CG 4.09Å; N152-Y163 HydrophobicContact CB-CD1 3.95Å; N152-Y163 HydrophobicContact CB-CE1 3.82Å; V160-Y163 PolarHBondContact O-N 2.95Å; L161-Y163 PolarHBondContact O-N 3.37Å; Y163-M165 VanDerWaalsContact C-N 3.32Å; Y163-M165 PolarHBondContact O-N 2.93Å; Y163-S166 PolarHBondContact O-N 3.27Å; Y163-S166 VanDerWaalsContact O-N 3.17Å; Y163-S166 PolarHBondContact O-OG 2.89Å; Y163-K167 HydrophobicContact CD1-CG 4.44Å; Y163-K167 HydrophobicContact CD2-CG 4.43Å; Y163-K167 HydrophobicContact CE1-CG 4Å; Y163-K167 HydrophobicContact CE2-CD 4.38Å; Y163-K167 HydrophobicContact CE2-CG 4Å; Y163-K167 PolarHBondContact O-N 3.47Å; Y163-K167 VanDerWaalsContact OH-CE 3.31Å; Y163-K167 WeakPolarHBondContact OH-CE 3.35Å
164C98.1Very high97Very high13 Ų1343.5 Ų43.59%0.08825%0.246CC..Hα-helixtrans-55.6-46.2174.7-70.10000111.8N152 V160 L161 S166 K167 S168N152-C164 PolarHBondContact ND2-SG 2.92Å; N152-C164 WeakPolarHBondContact O-CA 3.49Å; V160-C164 PolarHBondContact O-N 2.99Å; V160-C164 PolarHBondContact O-SG 3.49Å; V160-C164 VanDerWaalsContact O-SG 3.39Å; L161-C164 PolarHBondContact O-N 2.74Å; C164-S166 PolarHBondContact O-N 3.01Å; C164-K167 PolarHBondContact O-N 3.17Å; C164-S168 WeakPolarHBondContact O-CB 3.47Å; C164-S168 PolarHBondContact O-N 2.89Å; C164-S168 PolarHBondContact O-OG 3.27Å
165M98.3Very high97.2Very high91 Ų9144.6 Ų44.645%0.44825%0.248SC..Hα-helixtrans-59.8-47.3176.4-69.617965.800111.5Y116 L161 A162 Y163 K167 S168 A169Y116-M165 HydrophobicContact CE2-CE 4.25Å; L161-M165 HydrophobicContact CD1-SD 4.4Å; L161-M165 HydrophobicContact CG-SD 4.44Å; L161-M165 PolarHBondContact O-N 2.58Å; A162-M165 PolarHBondContact O-N 3.04Å; Y163-M165 VanDerWaalsContact C-N 3.32Å; Y163-M165 PolarHBondContact O-N 2.93Å; M165-K167 VanDerWaalsContact C-N 3.32Å; M165-K167 PolarHBondContact O-N 3.11Å; M165-S168 WeakPolarHBondContact O-CB 3.34Å; M165-S168 PolarHBondContact O-N 2.86Å; M165-A169 PolarHBondContact O-N 3.14Å
166S98.7Very high97.4Very high0 Ų043.6 Ų43.60%025%0.251CS..Hα-helixtrans-61-39.8-179.776.60000112.8N123 A162 Y163 C164 A169 I170N123-S166 PolarHBondContact ND2-OG 3.27Å; A162-S166 WeakPolarHBondContact O-CB 3.27Å; A162-S166 PolarHBondContact O-N 3.43Å; Y163-S166 PolarHBondContact O-N 3.27Å; Y163-S166 VanDerWaalsContact O-N 3.17Å; Y163-S166 PolarHBondContact O-OG 2.89Å; C164-S166 PolarHBondContact O-N 3.01Å; S166-A169 WeakPolarHBondContact O-CB 3.49Å; S166-A169 PolarHBondContact O-N 2.81Å; S166-I170 PolarHBondContact O-N 3.14Å; S166-I170 VanDerWaalsContact O-N 3.13Å
167K98.6Very high97.7Very high12 Ų1238.8 Ų38.85%0.05222%0.216CC..Hα-helixtrans-75.3-33.5178.5-65.5-57.9-167.7177.90112.1V148 S149 Y163 C164 M165 A169 I170 D171V148-K167 PolarHBondContact O-NZ 3.27Å; S149-K167 PolarHBondContact OG-O 3.45Å; Y163-K167 HydrophobicContact CD1-CG 4.44Å; Y163-K167 HydrophobicContact CD2-CG 4.43Å; Y163-K167 HydrophobicContact CE1-CG 4Å; Y163-K167 HydrophobicContact CE2-CD 4.38Å; Y163-K167 HydrophobicContact CE2-CG 4Å; Y163-K167 PolarHBondContact O-N 3.47Å; Y163-K167 VanDerWaalsContact OH-CE 3.31Å; Y163-K167 WeakPolarHBondContact OH-CE 3.35Å; C164-K167 PolarHBondContact O-N 3.17Å; M165-K167 VanDerWaalsContact C-N 3.32Å; M165-K167 PolarHBondContact O-N 3.11Å; K167-A169 VanDerWaalsContact C-N 3.28Å; K167-A169 PolarHBondContact O-N 3.25Å; K167-I170 PolarHBondContact O-N 3Å; K167-D171 PolarHBondContact O-N 3.36Å
168S98.8Very high98Very high51 Ų5136.4 Ų36.436%0.35721%0.206SC..Hα-helixtrans-62.8-37170-56.70000111.6G153 C164 M165 D171 Q172G153-S168 PolarHBondContact O-OG 3.46Å; C164-S168 WeakPolarHBondContact O-CB 3.47Å; C164-S168 PolarHBondContact O-N 2.89Å; C164-S168 PolarHBondContact O-OG 3.27Å; M165-S168 WeakPolarHBondContact O-CB 3.34Å; M165-S168 PolarHBondContact O-N 2.86Å; S168-D171 WeakPolarHBondContact O-CB 3.5Å; S168-D171 PolarHBondContact O-N 2.92Å; S168-Q172 PolarHBondContact O-N 2.92Å
169A98.8Very high98.3Very high35 Ų3537.2 Ų37.229%0.28920%0.202SC..Hα-helixtrans-64.8-41.517400000111.8V124 M165 S166 K167 Q172 F173V124-A169 HydrophobicContact CG1-CB 4.24Å; V124-A169 HydrophobicContact CG2-CB 4.02Å; M165-A169 PolarHBondContact O-N 3.14Å; S166-A169 WeakPolarHBondContact O-CB 3.49Å; S166-A169 PolarHBondContact O-N 2.81Å; K167-A169 VanDerWaalsContact C-N 3.28Å; K167-A169 PolarHBondContact O-N 3.25Å; A169-Q172 PolarHBondContact O-N 2.79Å; A169-F173 WeakPolarHBondContact O-CB 3.46Å; A169-F173 PolarHBondContact O-N 3.26Å
170I98.8Very high98.5Very high4 Ų442.1 Ų42.12%0.02122%0.218CC..Hα-helixtrans-65.4-38.6174.9-67.7-51.4000112.3N123 V127 N147 S166 K167 F173 T174N123-I170 VanDerWaalsContact O-CD1 3.31Å; N123-I170 WeakPolarHBondContact O-CD1 3.29Å; N123-I170 WeakPolarHBondContact O-CG1 3.29Å; V127-I170 HydrophobicContact CB-CD1 3.92Å; V127-I170 HydrophobicContact CG1-CD1 3.8Å; V127-I170 HydrophobicContact CG2-CD1 4.13Å; N147-I170 HydrophobicContact CB-CG2 3.79Å; S166-I170 PolarHBondContact O-N 3.14Å; S166-I170 VanDerWaalsContact O-N 3.13Å; K167-I170 PolarHBondContact O-N 3Å; I170-F173 PolarHBondContact O-N 3.25Å; I170-T174 WeakPolarHBondContact O-CB 3.33Å; I170-T174 PolarHBondContact O-N 3.16Å; I170-T174 PolarHBondContact O-OG1 2.7Å
171D98.8Very high98.6Very high4 Ų441.8 Ų41.82%0.02122%0.216CC..Hα-helixtrans-58.7-46.7174.2-88.730.3000111.7S149 Q154 K167 S168 R175 N252S149-D171 WeakPolarHBondContact CB-OD1 3.37Å; S149-D171 PolarHBondContact OG-OD1 3.28Å; Q154-D171 WeakPolarHBondContact CG-OD2 3.41Å; K167-D171 PolarHBondContact O-N 3.36Å; S168-D171 WeakPolarHBondContact O-CB 3.5Å; S168-D171 PolarHBondContact O-N 2.92Å; D171-R175 PolarHBondContact O-N 3.29Å; D171-R175 PolarHBondContact O-NH1 3.41Å; D171-N252 WeakPolarHBondContact CA-ND2 3.33Å; D171-N252 WeakPolarHBondContact CB-ND2 3.35Å; D171-N252 PolarHBondContact O-ND2 3.19Å; D171-N252 PolarHBondContact OD2-ND2 2.95Å
172Q98.9Very high98.6Very high95 Ų9540.8 Ų40.844%0.44422%0.217SC..Hα-helixtrans-71.7-42.3177.2-177.162.716.300111.9S168 A169 T174 R175 C176S168-Q172 PolarHBondContact O-N 2.92Å; A169-Q172 PolarHBondContact O-N 2.79Å; Q172-T174 VanDerWaalsContact C-N 3.27Å; Q172-T174 PolarHBondContact O-N 3.07Å; Q172-R175 PolarHBondContact O-N 2.83Å; Q172-R175 VanDerWaalsContact O-N 3.16Å; Q172-R175 VanDerWaalsContact OE1-CZ 3.27Å; Q172-R175 VanDerWaalsContact OE1-NE 3.09Å; Q172-C176 PolarHBondContact NE2-SG 3.26Å; Q172-C176 VanDerWaalsContact NE2-SG 3.4Å; Q172-C176 PolarHBondContact O-N 3.23Å; Q172-C176 PolarHBondContact O-SG 2.72Å; Q172-C176 VanDerWaalsContact O-SG 3.38Å
173F98.9Very high98.7Very high32 Ų3245.4 Ų45.414%0.1425%0.249CC..Hα-helixtrans-53.6-48.1176.2176.7-107.2000110.6V127 Y128 T131 A169 I170 R175 C176 I177V127-F173 HydrophobicContact CG1-CD1 4.3Å; V127-F173 HydrophobicContact CG1-CE1 3.99Å; Y128-F173 HydrophobicContact CD2-CD2 4.14Å; Y128-F173 AromaticContact CD2-CE2 3.54Å; Y128-F173 HydrophobicContact CD2-CE2 3.54Å; Y128-F173 HydrophobicContact CD2-CZ 4.33Å; Y128-F173 HydrophobicContact CE2-CE2 4.13Å; Y128-F173 HydrophobicContact CG-CE2 4.37Å; T131-F173 HydrophobicContact CG2-CE1 4.34Å; T131-F173 HydrophobicContact CG2-CZ 4.03Å; A169-F173 WeakPolarHBondContact O-CB 3.46Å; A169-F173 PolarHBondContact O-N 3.26Å; I170-F173 PolarHBondContact O-N 3.25Å; F173-R175 PolarHBondContact O-N 3.46Å; F173-C176 PolarHBondContact O-N 3.31Å; F173-I177 HydrophobicContact CD1-CD1 4.12Å; F173-I177 HydrophobicContact CD2-CG2 4Å; F173-I177 HydrophobicContact CE1-CD1 3.5Å; F173-I177 HydrophobicContact CE1-CG1 4.29Å; F173-I177 HydrophobicContact CE2-CD1 4.47Å; F173-I177 HydrophobicContact CE2-CG2 3.61Å; F173-I177 HydrophobicContact CZ-CD1 3.71Å; F173-I177 HydrophobicContact CZ-CG1 4.44Å; F173-I177 HydrophobicContact CZ-CG2 3.91Å; F173-I177 WeakPolarHBondContact O-CG1 3.39Å; F173-I177 PolarHBondContact O-N 2.99Å
174T98.9Very high98.7Very high0 Ų048.6 Ų48.60%026%0.264CS..Hα-helixtrans-53.4-49.9176.9-60.10000111.9N147 I170 Q172 A178 V188N147-T174 PolarHBondContact ND2-OG1 3.13Å; I170-T174 WeakPolarHBondContact O-CB 3.33Å; I170-T174 PolarHBondContact O-N 3.16Å; I170-T174 PolarHBondContact O-OG1 2.7Å; Q172-T174 VanDerWaalsContact C-N 3.27Å; Q172-T174 PolarHBondContact O-N 3.07Å; T174-A178 WeakPolarHBondContact O-CB 3.49Å; T174-A178 PolarHBondContact O-N 3.03Å; T174-V188 HydrophobicContact CG2-CG1 4.14Å
175R98.9Very high98.7Very high99 Ų9953.5 Ų53.537%0.37429%0.285SS..Hα-helixtrans-63.4-44.1178.6-69.9-174.2-67.2-91.64.9112.4D171 Q172 F173 L179 N252D171-R175 PolarHBondContact O-N 3.29Å; D171-R175 PolarHBondContact O-NH1 3.41Å; Q172-R175 PolarHBondContact O-N 2.83Å; Q172-R175 VanDerWaalsContact O-N 3.16Å; Q172-R175 VanDerWaalsContact OE1-CZ 3.27Å; Q172-R175 VanDerWaalsContact OE1-NE 3.09Å; F173-R175 PolarHBondContact O-N 3.46Å; R175-L179 PolarHBondContact O-N 2.91Å; R175-N252 PolarHBondContact NH1-ND2 3.5Å
176C98.9Very high98.7Very high51 Ų5149.2 Ų49.235%0.34526%0.264SS..Hα-helixtrans-61.7-54.8-179.9-680000111.4Q172 F173 A178 L179 E180Q172-C176 PolarHBondContact NE2-SG 3.26Å; Q172-C176 VanDerWaalsContact NE2-SG 3.4Å; Q172-C176 PolarHBondContact O-N 3.23Å; Q172-C176 PolarHBondContact O-SG 2.72Å; Q172-C176 VanDerWaalsContact O-SG 3.38Å; F173-C176 PolarHBondContact O-N 3.31Å; C176-A178 VanDerWaalsContact C-N 3.28Å; C176-A178 PolarHBondContact O-N 3.38Å; C176-L179 PolarHBondContact O-N 3.49Å; C176-L179 VanDerWaalsContact O-N 3.1Å; C176-E180 PolarHBondContact O-N 3.48Å; C176-E180 VanDerWaalsContact O-N 3.16Å
177I98.7Very high98.7Very high14 Ų1450.7 Ų50.77%0.07227%0.269CS..Hα-helixtrans-72.7-22.8-175.168.5163.5000112.6T131 I145 F173 L179 E180 L181 V188T131-I177 HydrophobicContact CG2-CD1 3.84Å; I145-I177 HydrophobicContact CD1-CD1 4.18Å; F173-I177 HydrophobicContact CD1-CD1 4.12Å; F173-I177 HydrophobicContact CD2-CG2 4Å; F173-I177 HydrophobicContact CE1-CD1 3.5Å; F173-I177 HydrophobicContact CE1-CG1 4.29Å; F173-I177 HydrophobicContact CE2-CD1 4.47Å; F173-I177 HydrophobicContact CE2-CG2 3.61Å; F173-I177 HydrophobicContact CZ-CD1 3.71Å; F173-I177 HydrophobicContact CZ-CG1 4.44Å; F173-I177 HydrophobicContact CZ-CG2 3.91Å; F173-I177 WeakPolarHBondContact O-CG1 3.39Å; F173-I177 PolarHBondContact O-N 2.99Å; I177-L179 VanDerWaalsContact C-N 3.29Å; I177-L179 PolarHBondContact O-N 3.09Å; I177-E180 PolarHBondContact O-N 2.82Å; I177-L181 HydrophobicContact CB-CD1 4.5Å; I177-L181 VanDerWaalsContact O-CB 3.25Å; I177-L181 WeakPolarHBondContact O-CB 3.28Å; I177-L181 VanDerWaalsContact O-CG 3.23Å; I177-L181 WeakPolarHBondContact O-CG 3.41Å; I177-L181 PolarHBondContact O-N 3.11Å; I177-V188 HydrophobicContact CD1-CB 4.28Å; I177-V188 HydrophobicContact CD1-CG1 3.46Å; I177-V188 VanDerWaalsContact CD1-CG1 3.46Å; I177-V188 HydrophobicContact CD1-CG2 4.02Å; I177-V188 HydrophobicContact CG1-CB 4.07Å; I177-V188 HydrophobicContact CG1-CG1 3.54Å; I177-V188 HydrophobicContact CG1-CG2 3.96Å
178A98.9Very high98.7Very high1 Ų150.1 Ų50.11%0.00827%0.267CS..Hα-helixtrans-58.4-42.8169.200000111.5T174 C176 A182 V188T174-A178 WeakPolarHBondContact O-CB 3.49Å; T174-A178 PolarHBondContact O-N 3.03Å; C176-A178 VanDerWaalsContact C-N 3.28Å; C176-A178 PolarHBondContact O-N 3.38Å; A178-A182 WeakPolarHBondContact O-CB 3.4Å; A178-A182 PolarHBondContact O-N 3.28Å; A178-A182 VanDerWaalsContact O-N 3.09Å; A178-V188 HydrophobicContact CB-CB 4.05Å
179L98.8Very high98.8Very high142 Ų14247.7 Ų47.774%0.74325%0.25SC*.Hα-helixtrans-72.6-40.7178.8-61.9179000111.9R175 C176 I177 L181R175-L179 PolarHBondContact O-N 2.91Å; C176-L179 PolarHBondContact O-N 3.49Å; C176-L179 VanDerWaalsContact O-N 3.1Å; I177-L179 VanDerWaalsContact C-N 3.29Å; I177-L179 PolarHBondContact O-N 3.09Å; L179-L181 VanDerWaalsContact C-N 3.27Å; L179-L181 PolarHBondContact O-N 3.4Å
180E98.6Very high98.8Very high130 Ų13046 Ų4661%0.60724%0.236SC*.Hα-helixtrans-65.9-28.1178.7-68.4179.8-161.100113.7C176 I177C176-E180 PolarHBondContact O-N 3.48Å; C176-E180 VanDerWaalsContact O-N 3.16Å; I177-E180 PolarHBondContact O-N 2.82Å
181L98.8Very high98.8Very high7 Ų745.8 Ų45.84%0.03724%0.235CC..Hα-helixtrans-104.4-8.3-175.2-60.5179.5000114V135 I145 I177 L179 S183 K184 H185 V186 V188V135-L181 HydrophobicContact CG1-CD2 3.78Å; V135-L181 HydrophobicContact CG2-CD1 3.87Å; V135-L181 HydrophobicContact CG2-CD2 4.34Å; I145-L181 HydrophobicContact CD1-CD1 4.2Å; I177-L181 HydrophobicContact CB-CD1 4.5Å; I177-L181 VanDerWaalsContact O-CB 3.25Å; I177-L181 WeakPolarHBondContact O-CB 3.28Å; I177-L181 VanDerWaalsContact O-CG 3.23Å; I177-L181 WeakPolarHBondContact O-CG 3.41Å; I177-L181 PolarHBondContact O-N 3.11Å; L179-L181 VanDerWaalsContact C-N 3.27Å; L179-L181 PolarHBondContact O-N 3.4Å; L181-S183 PolarHBondContact O-N 3.28Å; L181-K184 HydrophobicContact CD2-CD 4.24Å; L181-K184 CarbonylContact O-C 3.56Å; L181-K184 WeakPolarHBondContact O-CA 3.42Å; L181-K184 WeakPolarHBondContact O-CB 3.39Å; L181-K184 PolarHBondContact O-N 3Å; L181-H185 PolarHBondContact O-N 3.16Å; L181-V186 HydrophobicContact CB-CB 4.02Å; L181-V186 HydrophobicContact CB-CG1 4.45Å; L181-V186 HydrophobicContact CD1-CB 4.48Å; L181-V186 HydrophobicContact CD1-CG1 4.1Å; L181-V186 PolarHBondContact O-N 3.17Å; L181-V188 HydrophobicContact CD1-CG2 3.94Å
182A98.4Very high98.8Very high46 Ų4645.6 Ų45.638%0.3823%0.234SC..Hα-helixtrans-58.2-45.2-177.700000113.4A178 K184 H185A178-A182 WeakPolarHBondContact O-CB 3.4Å; A178-A182 PolarHBondContact O-N 3.28Å; A178-A182 VanDerWaalsContact O-N 3.09Å; A182-K184 PolarHBondContact O-N 3.39Å; A182-K184 VanDerWaalsContact O-N 3.13Å; A182-H185 WeakPolarHBondContact O-CA 3.26Å; A182-H185 PolarHBondContact O-N 3.11Å
183S98.4Very high98.7Very high101 Ų10141.3 Ų41.371%0.70622%0.215SC*.THydrogen-bonded Turntrans-65.4-15.6178.160.60000113.4L181L181-S183 PolarHBondContact O-N 3.28Å
184K98.7Very high98.6Very high93 Ų9340.4 Ų40.440%0.40421%0.214SC..THydrogen-bonded Turntrans-98.57.4175.7-54.8172.5-172153.40112.1I139 L181 A182 V186I139-K184 HydrophobicContact CD1-CD 3.58Å; I139-K184 HydrophobicContact CG1-CB 4.12Å; I139-K184 HydrophobicContact CG1-CD 3.88Å; I139-K184 HydrophobicContact CG2-CB 4.35Å; L181-K184 HydrophobicContact CD2-CD 4.24Å; L181-K184 CarbonylContact O-C 3.56Å; L181-K184 WeakPolarHBondContact O-CA 3.42Å; L181-K184 WeakPolarHBondContact O-CB 3.39Å; L181-K184 PolarHBondContact O-N 3Å; A182-K184 PolarHBondContact O-N 3.39Å; A182-K184 VanDerWaalsContact O-N 3.13Å; K184-V186 PolarHBondContact O-N 3.11Å
185H98.2Very high98.5Very high115 Ų11540.7 Ų40.753%0.53222%0.216SC..THydrogen-bonded Turntrans58.825.5-178.8-53.6-77.3000114.9K142 L181 A182K142-H185 CarbonylContact C-O 3.5Å; K142-H185 HydrophobicContact CB-CB 3.9Å; K142-H185 HydrophobicContact CD-CB 3.86Å; K142-H185 HydrophobicContact CG-CB 3.88Å; L181-H185 PolarHBondContact O-N 3.16Å; A182-H185 WeakPolarHBondContact O-CA 3.26Å; A182-H185 PolarHBondContact O-N 3.11Å
186V98.9Very high98.4Very high2 Ų236.3 Ų36.31%0.01220%0.2CC..  trans-96.7124.4171.1176.20000108.5L138 I139 G143 I145 L181 K184L138-V186 HydrophobicContact CB-CG1 4.22Å; L138-V186 HydrophobicContact CB-CG2 4.21Å; L138-V186 WeakPolarHBondContact O-CG2 3.37Å; I139-V186 HydrophobicContact CG1-CG2 4.12Å; G143-V186 WeakPolarHBondContact O-CA 3.41Å; I145-V186 HydrophobicContact CD1-CG1 4.47Å; I145-V186 HydrophobicContact CG1-CG1 4.46Å; L181-V186 HydrophobicContact CB-CB 4.02Å; L181-V186 HydrophobicContact CB-CG1 4.45Å; L181-V186 HydrophobicContact CD1-CB 4.48Å; L181-V186 HydrophobicContact CD1-CG1 4.1Å; L181-V186 PolarHBondContact O-N 3.17Å; K184-V186 PolarHBondContact O-N 3.11Å
187R98.8Very high98.2Very high30 Ų3036.9 Ų36.911%0.11320%0.199CC..EExtended strand (participates in β ladder)trans-89.9141.5178.3-60.3-177.6-59.294.74.4109.8G143 S144 I145 L240 S242 A245 I248G143-R187 PolarHBondContact O-N 2.96Å; G143-R187 VanDerWaalsContact O-N 3.11Å; S144-R187 CarbonylContact C-O 3.45Å; S144-R187 WeakPolarHBondContact CA-O 3.14Å; S144-R187 PolarHBondContact OG-NH2 3.16Å; I145-R187 PolarHBondContact N-O 3.34Å; R187-L240 VanDerWaalsContact CZ-O 3.29Å; R187-L240 PolarHBondContact NH1-O 3.47Å; R187-L240 PolarHBondContact NH2-O 3.18Å; R187-S242 PolarHBondContact NH2-O 3.24Å; R187-A245 WeakPolarHBondContact CD-O 3.44Å; R187-A245 PolarHBondContact NE-O 3.14Å; R187-A245 PolarHBondContact NH1-O 2.86Å; R187-A245 VanDerWaalsContact NH1-O 3.11Å; R187-I248 WeakPolarHBondContact CD-O 3.37Å; R187-I248 PolarHBondContact NH1-O 2.93Å
188V98.9Very high98Very high0 Ų037.2 Ų37.20%020%0.201CC..EExtended strand (participates in β ladder)trans-133.6121.5176.4-169.90000108.9I145 T174 I177 A178 L181 T249 G250I145-V188 HydrophobicContact CB-CB 4.33Å; I145-V188 HydrophobicContact CB-CG1 3.87Å; I145-V188 HydrophobicContact CB-CG2 4.18Å; I145-V188 HydrophobicContact CD1-CG2 3.95Å; I145-V188 HydrophobicContact CG1-CG2 4.35Å; I145-V188 HydrophobicContact CG2-CG1 4.05Å; I145-V188 WeakPolarHBondContact O-CA 3.43Å; T174-V188 HydrophobicContact CG2-CG1 4.14Å; I177-V188 HydrophobicContact CD1-CB 4.28Å; I177-V188 HydrophobicContact CD1-CG1 3.46Å; I177-V188 VanDerWaalsContact CD1-CG1 3.46Å; I177-V188 HydrophobicContact CD1-CG2 4.02Å; I177-V188 HydrophobicContact CG1-CB 4.07Å; I177-V188 HydrophobicContact CG1-CG1 3.54Å; I177-V188 HydrophobicContact CG1-CG2 3.96Å; A178-V188 HydrophobicContact CB-CB 4.05Å; L181-V188 HydrophobicContact CD1-CG2 3.94Å; V188-T249 PolarHBondContact N-OG1 3.44Å; V188-T249 PolarHBondContact O-OG1 3.23Å; V188-G250 WeakPolarHBondContact O-CA 3.28Å; V188-G250 PolarHBondContact O-N 3.39Å
189N98.9Very high97.6Very high0 Ų040.6 Ų40.60%022%0.219CC..EExtended strand (participates in β ladder)trans-136167179.6-62.7-66.7000110.1I145 V146 N147 L240 I248 T249 G250 V251I145-N189 PolarHBondContact O-N 3.2Å; V146-N189 CarbonylContact C-O 3.52Å; V146-N189 WeakPolarHBondContact CA-O 3.27Å; N147-N189 PolarHBondContact N-O 2.87Å; N189-L240 HydrophobicContact CB-CD1 3.99Å; N189-L240 HydrophobicContact CB-CD2 4.13Å; N189-L240 HydrophobicContact CB-CG 4.47Å; N189-I248 PolarHBondContact ND2-O 3.44Å; N189-T249 VanDerWaalsContact OD1-C 3.24Å; N189-T249 WeakPolarHBondContact OD1-CA 3.35Å; N189-T249 PolarHBondContact OD1-N 3.48Å; N189-G250 PolarHBondContact OD1-N 2.92Å; N189-G250 VanDerWaalsContact OD1-N 3.13Å; N189-V251 HydrophobicContact CB-CG1 3.99Å; N189-V251 WeakPolarHBondContact OD1-CG1 3.43Å; N189-V251 PolarHBondContact OD1-N 3.01Å; N189-V251 VanDerWaalsContact OD1-N 3.12Å
190S98.9Very high97.2Very high0 Ų036 Ų360%020%0.197CC..EExtended strand (participates in β ladder)trans-128.7151.1169.873.80000111.6N147 V251 N252 L253N147-S190 CarbonylContact O-C 3.53Å; N147-S190 WeakPolarHBondContact O-CA 3.45Å; N147-S190 WeakPolarHBondContact O-CB 3.33Å; S190-V251 PolarHBondContact N-O 3.35Å; S190-N252 WeakPolarHBondContact OG-CA 3.32Å; S190-N252 VanDerWaalsContact OG-CG 3.24Å; S190-N252 PolarHBondContact OG-OD1 3.3Å; S190-L253 PolarHBondContact O-N 2.92Å
191V98.9Very high96.7Very high0 Ų031 Ų310%017%0.174CC..EExtended strand (participates in β ladder)trans-100.2139.5164.4-68.30000108.3V146 N147 V148 S149 P193 V233 C236 I237 L240 L253 I255V146-V191 HydrophobicContact CG1-CG1 4.25Å; N147-V191 PolarHBondContact O-N 3.12Å; V148-V191 HydrophobicContact CB-CG2 4.22Å; V148-V191 HydrophobicContact CG1-CG2 4.19Å; V148-V191 HydrophobicContact CG2-CG2 3.96Å; S149-V191 WeakPolarHBondContact CA-O 3.44Å; S149-V191 PolarHBondContact N-O 2.98Å; V191-P193 WeakPolarHBondContact O-CD 3.39Å; V191-V233 HydrophobicContact CG2-CG1 4.08Å; V191-C236 HydrophobicContact CG1-CB 4.24Å; V191-I237 HydrophobicContact CB-CG1 4.48Å; V191-I237 HydrophobicContact CG1-CG1 3.88Å; V191-I237 HydrophobicContact CG2-CD1 4.09Å; V191-I237 HydrophobicContact CG2-CG1 3.8Å; V191-L240 HydrophobicContact CG1-CD1 3.73Å; V191-L253 CarbonylContact C-O 3.6Å; V191-I255 HydrophobicContact CB-CD1 3.48Å; V191-I255 VanDerWaalsContact CB-CD1 3.48Å; V191-I255 HydrophobicContact CG1-CD1 3.54Å
192C98.6Very high96.3Very high0 Ų034.7 Ų34.70%019%0.187CC..EExtended strand (participates in β ladder)trans-119.580.9-179.1-600000109.5L253 I255C192-L253 PolarHBondContact N-O 2.96Å; C192-I255 PolarHBondContact O-N 2.7Å
193P98.4Very high95.9Very high5 Ų539.6 Ų39.63%0.03220%0.196CC..EExtended strand (participates in β ladder)trans-67.7147.8-178.3-2032.8000112.8I26 V148 V151 V191 I196 V233 I255I26-P193 HydrophobicContact CD1-CB 4.39Å; I26-P193 HydrophobicContact CD1-CG 3.95Å; V148-P193 HydrophobicContact CG1-CG 4.21Å; V151-P193 PolarHBondContact N-O 3.21Å; V191-P193 WeakPolarHBondContact O-CD 3.39Å; P193-I196 HydrophobicContact CB-CD1 4.12Å; P193-I196 HydrophobicContact CB-CG1 3.63Å; P193-V233 HydrophobicContact CB-CG2 4.02Å; P193-V233 HydrophobicContact CG-CG1 3.87Å; P193-V233 HydrophobicContact CG-CG2 4.04Å; P193-I255 VanDerWaalsContact CA-O 3.32Å; P193-I255 WeakPolarHBondContact CA-O 3.36Å
194G97Very high95.4Very high13 Ų1335.6 Ų35.613%0.13417%0.169CC..  trans-75.1-140.5164.700000111.8I196 I255 D256G194-I196 PolarHBondContact O-N 3.39Å; G194-I255 PolarHBondContact N-O 2.77Å; G194-D256 VanDerWaalsContact CA-CB 3.47Å; G194-D256 VanDerWaalsContact N-CB 3.34Å
195V96.2Very high94.9Very high5 Ų534 Ų343%0.0318%0.179CC..SBendtrans-80.2119.5166.81710000108.7F214 L215 H222 P227 G228V195-F214 HydrophobicContact CB-CE1 4.4Å; V195-F214 HydrophobicContact CG1-CE1 3.71Å; V195-F214 HydrophobicContact CG1-CZ 4.36Å; V195-F214 HydrophobicContact CG2-CE1 3.69Å; V195-F214 HydrophobicContact CG2-CZ 3.45Å; V195-F214 VanDerWaalsContact CG2-CZ 3.45Å; V195-L215 HydrophobicContact CG1-CD2 4.12Å; V195-H222 PolarHBondContact N-NE2 3.34Å; V195-H222 VanDerWaalsContact N-NE2 3.13Å; V195-P227 HydrophobicContact CG1-CB 4.01Å; V195-P227 WeakPolarHBondContact O-CA 3.33Å; V195-G228 PolarHBondContact O-N 3.19Å
196I97.3Very high94.5Very high7 Ų730.4 Ų30.44%0.03616%0.164CC..BIsolated β-bridgetrans-113.3135.4175.1-51.7-59.4000108.7I26 P193 G194 T198 G228 V230 V233I26-I196 HydrophobicContact CD1-CG1 4.46Å; P193-I196 HydrophobicContact CB-CD1 4.12Å; P193-I196 HydrophobicContact CB-CG1 3.63Å; G194-I196 PolarHBondContact O-N 3.39Å; I196-T198 HydrophobicContact CB-CG2 4.49Å; I196-T198 HydrophobicContact CG2-CG2 4.06Å; I196-T198 PolarHBondContact O-N 2.91Å; I196-T198 PolarHBondContact O-OG1 3.4Å; I196-G228 VanDerWaalsContact CA-O 3.29Å; I196-G228 WeakPolarHBondContact CA-O 3.19Å; I196-V230 HydrophobicContact CG2-CG2 4.02Å; I196-V233 HydrophobicContact CD1-CG2 3.64Å; I196-V233 HydrophobicContact CG1-CG2 3.82Å
197I94.8Very high94.2Very high63 Ų6334.1 Ų34.132%0.32318%0.183SC..SBendtrans-64.8100.1179.5-56.2-177.5000109.3P227 G228 E229I197-P227 HydrophobicContact CD1-CG 3.94Å; I197-P227 HydrophobicContact CG1-CB 4Å; I197-P227 HydrophobicContact CG1-CG 3.92Å; I197-G228 PolarHBondContact N-O 3.27Å; I197-E229 VanDerWaalsContact CD1-OE1 3.26Å; I197-E229 WeakPolarHBondContact CD1-OE1 3.41Å
198T93.3Very high93.9Very high21 Ų2138 Ų3813%0.12920%0.203CC..SBendtrans-155.4165.8-179.2610000109.6I196 V200 Y211 V230I196-T198 HydrophobicContact CB-CG2 4.49Å; I196-T198 HydrophobicContact CG2-CG2 4.06Å; I196-T198 PolarHBondContact O-N 2.91Å; I196-T198 PolarHBondContact O-OG1 3.4Å; T198-V200 PolarHBondContact O-N 2.79Å; T198-V200 VanDerWaalsContact O-N 3.14Å; T198-V200 WeakPolarHBondContact OG1-CG1 3.3Å; T198-Y211 PolarHBondContact O-OH 2.95Å; T198-V230 HydrophobicContact CG2-CG2 3.58Å
199D90.4Very high93.7Very high72 Ų7243.8 Ų43.839%0.38523%0.234SC..THydrogen-bonded Turntrans-75.74.8179.1-61.9-37.9000114.7H201 R202 R203D199-H201 VanDerWaalsContact C-N 3.27Å; D199-H201 PolarHBondContact O-N 3.35Å; D199-R202 PolarHBondContact O-N 3.3Å; D199-R202 IonicContact OD1-CZ 3.88Å; D199-R202 IonicContact OD1-NH1 2.86Å; D199-R202 PolarHBondContact OD1-NH1 3.04Å; D199-R203 HydrophobicContact CB-CG 4.49Å; D199-R203 WeakPolarHBondContact O-CB 3.17Å; D199-R203 VanDerWaalsContact O-CG 3.25Å; D199-R203 WeakPolarHBondContact O-CG 3.32Å; D199-R203 PolarHBondContact O-N 3.29Å
200V89.9Confident93.4Very high45 Ų4547.8 Ų47.827%0.27325%0.253SS..Hα-helixtrans-60.5-38.1-17671.60000112.3L103 T198 A204L103-V200 HydrophobicContact CB-CG2 4.04Å; T198-V200 PolarHBondContact O-N 2.79Å; T198-V200 VanDerWaalsContact O-N 3.14Å; T198-V200 WeakPolarHBondContact OG1-CG1 3.3Å; V200-A204 WeakPolarHBondContact O-CB 3.38Å; V200-A204 PolarHBondContact O-N 3.49Å; V200-A204 VanDerWaalsContact O-N 3.08Å
201H89.6Confident93.1Very high27 Ų2748.1 Ų48.113%0.12525%0.254CS..Hα-helixtrans-73.3-40.7179.7-7596000111.8D199 A204 G205 L206 Y211 F214D199-H201 VanDerWaalsContact C-N 3.27Å; D199-H201 PolarHBondContact O-N 3.35Å; H201-A204 WeakPolarHBondContact O-CB 3.43Å; H201-A204 PolarHBondContact O-N 3.28Å; H201-G205 PolarHBondContact O-N 2.96Å; H201-L206 HydrophobicContact CB-CD1 3.95Å; H201-L206 PolarHBondContact O-N 3.41Å; H201-Y211 HydrophobicContact CB-CD2 3.84Å; H201-Y211 HydrophobicContact CB-CE2 3.77Å; H201-F214 AromaticContact CD2-CE1 3.55Å; H201-F214 AromaticContact CD2-CZ 3.72Å; H201-F214 AromaticContact CE1-CE1 3.73Å; H201-F214 AromaticContact CG-CE1 3.9Å; H201-F214 AromaticContact ND1-CE1 3.99Å; H201-F214 AromaticContact NE2-CE1 3.45Å; H201-F214 WeakPolarHBondContact NE2-CE1 3.46Å; H201-F214 AromaticContact NE2-CZ 3.38Å; H201-F214 WeakPolarHBondContact NE2-CZ 3.3Å
202R90.3Very high92.8Very high83 Ų8350.8 Ų50.831%0.31328%0.276SS..Hα-helixtrans-60.8-46.2171.9-67.2-178.1177.8109.10.7111.7D199 A204 G205 E208 Y211D199-R202 PolarHBondContact O-N 3.3Å; D199-R202 IonicContact OD1-CZ 3.88Å; D199-R202 IonicContact OD1-NH1 2.86Å; D199-R202 PolarHBondContact OD1-NH1 3.04Å; R202-A204 PolarHBondContact O-N 3.39Å; R202-G205 PolarHBondContact O-N 2.91Å; R202-E208 VanDerWaalsContact CD-OE1 3.29Å; R202-E208 WeakPolarHBondContact CD-OE1 3.18Å; R202-E208 IonicContact CZ-OE1 3.72Å; R202-E208 IonicContact CZ-OE2 3.52Å; R202-E208 IonicContact NE-OE1 2.78Å; R202-E208 PolarHBondContact NE-OE1 3.1Å; R202-E208 IonicContact NE-OE2 3.18Å; R202-E208 PolarHBondContact NE-OE2 3.15Å; R202-E208 IonicContact NH2-OE1 3.85Å; R202-E208 IonicContact NH2-OE2 2.93Å; R202-E208 PolarHBondContact NH2-OE2 2.89Å; R202-Y211 HydrophobicContact CG-CD1 4.46Å; R202-Y211 HydrophobicContact CG-CG 4.28Å; R202-Y211 VanDerWaalsContact CZ-CE1 3.45Å; R202-Y211 VanDerWaalsContact NH2-CE1 3.29Å
203R90.6Very high92.6Very high149 Ų14957.5 Ų57.556%0.56231%0.307SS*.Hα-helixtrans-65-21.5176.8-70.1172.8-173.5172.92.8113.3S24 D199 G205S24-R203 PolarHBondContact OG-NH1 3.1Å; D199-R203 HydrophobicContact CB-CG 4.49Å; D199-R203 WeakPolarHBondContact O-CB 3.17Å; D199-R203 VanDerWaalsContact O-CG 3.25Å; D199-R203 WeakPolarHBondContact O-CG 3.32Å; D199-R203 PolarHBondContact O-N 3.29Å; R203-G205 VanDerWaalsContact C-N 3.27Å
204A87Confident92.3Very high18 Ų1859.7 Ų59.715%0.14932%0.317CS..THydrogen-bonded Turntrans-84-0.2173.700000113.6L103 V200 H201 R202L103-A204 HydrophobicContact CB-CB 4.31Å; L103-A204 HydrophobicContact CD2-CB 3.32Å; L103-A204 HydrophobicContact CG-CB 4.4Å; L103-A204 WeakPolarHBondContact O-CB 3.39Å; V200-A204 WeakPolarHBondContact O-CB 3.38Å; V200-A204 PolarHBondContact O-N 3.49Å; V200-A204 VanDerWaalsContact O-N 3.08Å; H201-A204 WeakPolarHBondContact O-CB 3.43Å; H201-A204 PolarHBondContact O-N 3.28Å; R202-A204 PolarHBondContact O-N 3.39Å
205G87.9Confident92.1Very high60 Ų6060.9 Ų60.962%0.61932%0.32SS*.THydrogen-bonded Turntrans107.27.2172.300000115.6H201 R202 R203H201-G205 PolarHBondContact O-N 2.96Å; R202-G205 PolarHBondContact O-N 2.91Å; R203-G205 VanDerWaalsContact C-N 3.27Å
206L89.7Confident92Very high38 Ų3865.8 Ų65.820%0.19934%0.342CS..  trans-75.4125.7171.1-66.9172.4000109.9H201 Q210H201-L206 HydrophobicContact CB-CD1 3.95Å; H201-L206 PolarHBondContact O-N 3.41Å; L206-Q210 HydrophobicContact CB-CB 4.3Å; L206-Q210 HydrophobicContact CD2-CB 3.86Å
207D93.6Very high91.7Very high80 Ų8071.8 Ų71.843%0.42837%0.368SS..  trans-70.6173.9167.865.946.1000111.5D209 Q210 Y211D207-D209 VanDerWaalsContact C-N 3.35Å; D207-D209 PolarHBondContact O-N 2.81Å; D207-D209 PolarHBondContact OD1-N 3.44Å; D207-D209 VanDerWaalsContact OD1-N 3.08Å; D207-Q210 VanDerWaalsContact N-OE1 3.15Å; D207-Q210 PolarHBondContact O-N 2.72Å; D207-Q210 WeakPolarHBondContact OD1-CB 3.38Å; D207-Q210 WeakPolarHBondContact OD1-CG 3.45Å; D207-Q210 PolarHBondContact OD1-N 3.21Å; D207-Q210 PolarHBondContact OD2-OE1 3.48Å; D207-Y211 WeakPolarHBondContact O-CB 3.36Å; D207-Y211 PolarHBondContact O-N 3.41Å
208E92Very high91.6Very high111 Ų11168.9 Ų68.952%0.51935%0.353SS..Hα-helixtrans-65.5-35-175.5-68.6-57.3140.800113.1R202 Y211 A212R202-E208 VanDerWaalsContact CD-OE1 3.29Å; R202-E208 WeakPolarHBondContact CD-OE1 3.18Å; R202-E208 IonicContact CZ-OE1 3.72Å; R202-E208 IonicContact CZ-OE2 3.52Å; R202-E208 IonicContact NE-OE1 2.78Å; R202-E208 PolarHBondContact NE-OE1 3.1Å; R202-E208 IonicContact NE-OE2 3.18Å; R202-E208 PolarHBondContact NE-OE2 3.15Å; R202-E208 IonicContact NH2-OE1 3.85Å; R202-E208 IonicContact NH2-OE2 2.93Å; R202-E208 PolarHBondContact NH2-OE2 2.89Å; E208-Y211 PolarHBondContact O-N 2.83Å; E208-A212 WeakPolarHBondContact O-CB 3.49Å; E208-A212 PolarHBondContact O-N 2.86Å
209D94.3Very high91.6Very high122 Ų12273.2 Ų73.265%0.65237%0.37SS*.Hα-helixtrans-70.8-44.9179.4-73.9-19.6000110.5D207 Y211 A212 Q213D207-D209 VanDerWaalsContact C-N 3.35Å; D207-D209 PolarHBondContact O-N 2.81Å; D207-D209 PolarHBondContact OD1-N 3.44Å; D207-D209 VanDerWaalsContact OD1-N 3.08Å; D209-Y211 VanDerWaalsContact C-N 3.32Å; D209-Y211 PolarHBondContact O-N 3.41Å; D209-A212 PolarHBondContact O-N 3.1Å; D209-Q213 VanDerWaalsContact O-CG 3.28Å; D209-Q213 WeakPolarHBondContact O-CG 3.41Å; D209-Q213 PolarHBondContact O-N 3.49Å
210Q92.6Very high91.7Very high85 Ų8575.9 Ų75.940%0.39738%0.381SS..Hα-helixtrans-62.2-40.6173.9-69.1173.8-16.400111.4L206 D207 Q213 F214L206-Q210 HydrophobicContact CB-CB 4.3Å; L206-Q210 HydrophobicContact CD2-CB 3.86Å; D207-Q210 VanDerWaalsContact N-OE1 3.15Å; D207-Q210 PolarHBondContact O-N 2.72Å; D207-Q210 WeakPolarHBondContact OD1-CB 3.38Å; D207-Q210 WeakPolarHBondContact OD1-CG 3.45Å; D207-Q210 PolarHBondContact OD1-N 3.21Å; D207-Q210 PolarHBondContact OD2-OE1 3.48Å; Q210-Q213 PolarHBondContact O-N 2.8Å; Q210-F214 VanDerWaalsContact O-CB 3.26Å; Q210-F214 WeakPolarHBondContact O-CB 3.37Å; Q210-F214 PolarHBondContact O-N 2.91Å
211Y92.5Very high91.8Very high6 Ų675.7 Ų75.72%0.02438%0.379CS..Hα-helixtrans-66.1-43.2177.1-176.4-114.4000111.5T198 H201 R202 D207 E208 D209 Q213 F214 L215T198-Y211 PolarHBondContact O-OH 2.95Å; H201-Y211 HydrophobicContact CB-CD2 3.84Å; H201-Y211 HydrophobicContact CB-CE2 3.77Å; R202-Y211 HydrophobicContact CG-CD1 4.46Å; R202-Y211 HydrophobicContact CG-CG 4.28Å; R202-Y211 VanDerWaalsContact CZ-CE1 3.45Å; R202-Y211 VanDerWaalsContact NH2-CE1 3.29Å; D207-Y211 WeakPolarHBondContact O-CB 3.36Å; D207-Y211 PolarHBondContact O-N 3.41Å; E208-Y211 PolarHBondContact O-N 2.83Å; D209-Y211 VanDerWaalsContact C-N 3.32Å; D209-Y211 PolarHBondContact O-N 3.41Å; Y211-Q213 PolarHBondContact O-N 3.2Å; Y211-F214 HydrophobicContact CD2-CD1 4.49Å; Y211-F214 WeakPolarHBondContact O-CB 3.18Å; Y211-F214 PolarHBondContact O-N 2.99Å; Y211-L215 HydrophobicContact CD1-CD1 4.11Å; Y211-L215 HydrophobicContact CE1-CD1 3.53Å; Y211-L215 HydrophobicContact CE1-CG 4.13Å; Y211-L215 HydrophobicContact CE2-CD1 4.42Å; Y211-L215 HydrophobicContact CE2-CD2 4.14Å; Y211-L215 HydrophobicContact CE2-CG 4.18Å; Y211-L215 WeakPolarHBondContact O-CG 3.41Å; Y211-L215 PolarHBondContact O-N 3.22Å
212A93Very high92.1Very high57 Ų5774.6 Ų74.647%0.47137%0.374SS..Hα-helixtrans-60.8-45.6174.900000111.8E208 D209 F214 L215 E216E208-A212 WeakPolarHBondContact O-CB 3.49Å; E208-A212 PolarHBondContact O-N 2.86Å; D209-A212 PolarHBondContact O-N 3.1Å; A212-F214 VanDerWaalsContact C-N 3.32Å; A212-F214 PolarHBondContact O-N 2.89Å; A212-L215 PolarHBondContact O-N 3.36Å; A212-E216 PolarHBondContact O-N 3.31Å
213Q93.9Very high92.4Very high140 Ų14074 Ų7465%0.65439%0.387SS*.Hα-helixtrans-62-39.5175-70.8174.128.300112.2D209 Q210 Y211 E216 K217D209-Q213 VanDerWaalsContact O-CG 3.28Å; D209-Q213 WeakPolarHBondContact O-CG 3.41Å; D209-Q213 PolarHBondContact O-N 3.49Å; Q210-Q213 PolarHBondContact O-N 2.8Å; Y211-Q213 PolarHBondContact O-N 3.2Å; Q213-E216 PolarHBondContact O-N 2.91Å; Q213-K217 WeakPolarHBondContact O-CB 3.36Å; Q213-K217 PolarHBondContact O-N 3.49Å
214F92.1Very high92.7Very high52 Ų5272.8 Ų72.823%0.22839%0.391CS..Hα-helixtrans-63.2-43.3176.3176-104.7000112.1V195 H201 Q210 Y211 A212 K217 C218V195-F214 HydrophobicContact CB-CE1 4.4Å; V195-F214 HydrophobicContact CG1-CE1 3.71Å; V195-F214 HydrophobicContact CG1-CZ 4.36Å; V195-F214 HydrophobicContact CG2-CE1 3.69Å; V195-F214 HydrophobicContact CG2-CZ 3.45Å; V195-F214 VanDerWaalsContact CG2-CZ 3.45Å; H201-F214 AromaticContact CD2-CE1 3.55Å; H201-F214 AromaticContact CD2-CZ 3.72Å; H201-F214 AromaticContact CE1-CE1 3.73Å; H201-F214 AromaticContact CG-CE1 3.9Å; H201-F214 AromaticContact ND1-CE1 3.99Å; H201-F214 AromaticContact NE2-CE1 3.45Å; H201-F214 WeakPolarHBondContact NE2-CE1 3.46Å; H201-F214 AromaticContact NE2-CZ 3.38Å; H201-F214 WeakPolarHBondContact NE2-CZ 3.3Å; Q210-F214 VanDerWaalsContact O-CB 3.26Å; Q210-F214 WeakPolarHBondContact O-CB 3.37Å; Q210-F214 PolarHBondContact O-N 2.91Å; Y211-F214 HydrophobicContact CD2-CD1 4.49Å; Y211-F214 WeakPolarHBondContact O-CB 3.18Å; Y211-F214 PolarHBondContact O-N 2.99Å; A212-F214 VanDerWaalsContact C-N 3.32Å; A212-F214 PolarHBondContact O-N 2.89Å; F214-K217 PolarHBondContact O-N 3.41Å; F214-C218 PolarHBondContact O-N 3.27Å; F214-C218 PolarHBondContact O-SG 3.17Å
215L93.2Very high93.1Very high38 Ų3873.4 Ų73.420%0.19940%0.399CS..Hα-helixtrans-65.9-38.7175.1-68.6-175.6000111.9V195 Y211 A212 K217 C218 P227V195-L215 HydrophobicContact CG1-CD2 4.12Å; Y211-L215 HydrophobicContact CD1-CD1 4.11Å; Y211-L215 HydrophobicContact CE1-CD1 3.53Å; Y211-L215 HydrophobicContact CE1-CG 4.13Å; Y211-L215 HydrophobicContact CE2-CD1 4.42Å; Y211-L215 HydrophobicContact CE2-CD2 4.14Å; Y211-L215 HydrophobicContact CE2-CG 4.18Å; Y211-L215 WeakPolarHBondContact O-CG 3.41Å; Y211-L215 PolarHBondContact O-N 3.22Å; A212-L215 PolarHBondContact O-N 3.36Å; L215-K217 VanDerWaalsContact C-N 3.32Å; L215-K217 PolarHBondContact O-N 2.93Å; L215-C218 WeakPolarHBondContact O-CB 3.13Å; L215-C218 PolarHBondContact O-N 3.23Å; L215-P227 HydrophobicContact CD2-CB 4.3Å; L215-P227 HydrophobicContact CD2-CG 4.3Å
216E93.7Very high93.6Very high107 Ų10775.5 Ų75.550%0.539%0.388SS..Hα-helixtrans-62.7-41.2175.4-172.959.3-158.100111.4A212 Q213 C218 K219A212-E216 PolarHBondContact O-N 3.31Å; Q213-E216 PolarHBondContact O-N 2.91Å; E216-C218 PolarHBondContact O-N 3.11Å; E216-K219 WeakPolarHBondContact O-CB 3.36Å; E216-K219 WeakPolarHBondContact O-CG 3.45Å; E216-K219 PolarHBondContact O-N 3.04Å; E216-K219 VanDerWaalsContact O-N 3.11Å; E216-K219 WeakPolarHBondContact OE1-CD 3.46Å; E216-K219 WeakPolarHBondContact OE1-CE 3.42Å; E216-K219 IonicContact OE1-NZ 2.71Å; E216-K219 PolarHBondContact OE1-NZ 3.05Å; E216-K219 WeakPolarHBondContact OE2-CE 3.31Å; E216-K219 IonicContact OE2-NZ 3.47Å; E216-K219 PolarHBondContact OE2-NZ 3.44Å
217K92.4Very high93.9Very high134 Ų13474.5 Ų74.558%0.58338%0.384SS*.Hα-helixtrans-62.3-22.1174-169.5175.6-178176.20112.9Q213 F214 L215 K219 Q220 T221Q213-K217 WeakPolarHBondContact O-CB 3.36Å; Q213-K217 PolarHBondContact O-N 3.49Å; F214-K217 PolarHBondContact O-N 3.41Å; L215-K217 VanDerWaalsContact C-N 3.32Å; L215-K217 PolarHBondContact O-N 2.93Å; K217-K219 PolarHBondContact O-N 3.33Å; K217-Q220 PolarHBondContact O-N 2.97Å; K217-Q220 VanDerWaalsContact O-N 3.11Å; K217-T221 HydrophobicContact CG-CG2 4.13Å; K217-T221 PolarHBondContact O-N 3.33Å; K217-T221 PolarHBondContact O-OG1 3.43Å
218C92Very high94.1Very high1 Ų171.2 Ų71.21%0.00737%0.369CS..Hα-helixtrans-61.1-27.7175.4-66.80000112.5F214 L215 E216 Q220 T221 H222 P227F214-C218 PolarHBondContact O-N 3.27Å; F214-C218 PolarHBondContact O-SG 3.17Å; L215-C218 WeakPolarHBondContact O-CB 3.13Å; L215-C218 PolarHBondContact O-N 3.23Å; E216-C218 PolarHBondContact O-N 3.11Å; C218-Q220 PolarHBondContact O-N 3.46Å; C218-Q220 VanDerWaalsContact O-N 3.17Å; C218-T221 WeakPolarHBondContact CA-OG1 3.38Å; C218-T221 PolarHBondContact O-N 3.05Å; C218-H222 PolarHBondContact O-N 3.05Å; C218-H222 PolarHBondContact O-ND1 3.49Å; C218-H222 VanDerWaalsContact O-ND1 3.16Å; C218-P227 HydrophobicContact CB-CB 4.34Å
219K92.3Very high94.4Very high112 Ų11270.2 Ų70.249%0.48737%0.365SS..Hα-helixtrans-60.8-24.1175.7-59.9-176.6-177.1163.50114E216 K217 G225E216-K219 WeakPolarHBondContact O-CB 3.36Å; E216-K219 WeakPolarHBondContact O-CG 3.45Å; E216-K219 PolarHBondContact O-N 3.04Å; E216-K219 VanDerWaalsContact O-N 3.11Å; E216-K219 WeakPolarHBondContact OE1-CD 3.46Å; E216-K219 WeakPolarHBondContact OE1-CE 3.42Å; E216-K219 IonicContact OE1-NZ 2.71Å; E216-K219 PolarHBondContact OE1-NZ 3.05Å; E216-K219 WeakPolarHBondContact OE2-CE 3.31Å; E216-K219 IonicContact OE2-NZ 3.47Å; E216-K219 PolarHBondContact OE2-NZ 3.44Å; K217-K219 PolarHBondContact O-N 3.33Å; K219-G225 WeakPolarHBondContact CA-O 3.33Å; K219-G225 WeakPolarHBondContact CG-O 3.25Å; K219-G225 WeakPolarHBondContact O-CA 3.25Å
220Q93.2Very high94.5Very high129 Ų12965.6 Ų65.660%0.60334%0.34SS*.Hα-helixtrans-105.3-17.8-178.8-59.8-178.51.900113.2K217 C218K217-Q220 PolarHBondContact O-N 2.97Å; K217-Q220 VanDerWaalsContact O-N 3.11Å; C218-Q220 PolarHBondContact O-N 3.46Å; C218-Q220 VanDerWaalsContact O-N 3.17Å
221T92.6Very high94.7Very high41 Ų4166 Ų6625%0.25235%0.345SS..Hα-helixtrans-104.7-5.9-174.754.70000113.6K217 C218 R259K217-T221 HydrophobicContact CG-CG2 4.13Å; K217-T221 PolarHBondContact O-N 3.33Å; K217-T221 PolarHBondContact O-OG1 3.43Å; C218-T221 WeakPolarHBondContact CA-OG1 3.38Å; C218-T221 PolarHBondContact O-N 3.05Å; T221-R259 VanDerWaalsContact O-CG 3.29Å; T221-R259 WeakPolarHBondContact O-CG 3.21Å
222H95.4Very high95Very high4 Ų469.1 Ų69.12%0.01936%0.36CS..SBendtrans-117.6136.8169.9-59.567.6000108.2V195 C218 L224 G225 D256 R259 M262V195-H222 PolarHBondContact N-NE2 3.34Å; V195-H222 VanDerWaalsContact N-NE2 3.13Å; C218-H222 PolarHBondContact O-N 3.05Å; C218-H222 PolarHBondContact O-ND1 3.49Å; C218-H222 VanDerWaalsContact O-ND1 3.16Å; H222-L224 VanDerWaalsContact C-N 3.26Å; H222-L224 PolarHBondContact O-N 3.1Å; H222-G225 PolarHBondContact O-N 2.77Å; H222-D256 PolarHBondContact CD2-O 3.3Å; H222-R259 PolarHBondContact CE1-NH1 3.47Å; H222-R259 VanDerWaalsContact CE1-NH1 3.25Å; H222-R259 WeakPolarHBondContact NE2-CD 3.33Å; H222-M262 VanDerWaalsContact C-SD 3.55Å
223A96.3Very high95.2Very high70 Ų7066.4 Ų66.458%0.57934%0.338SS*.THydrogen-bonded Turntrans-64.5-32.9-177.900000112G225 G257 M262A223-G225 PolarHBondContact O-N 3.24Å; A223-G257 WeakPolarHBondContact CA-O 3.43Å; A223-G257 WeakPolarHBondContact CB-O 3.23Å; A223-G257 PolarHBondContact N-O 2.75Å; A223-M262 HydrophobicContact CB-CG 4.22Å; A223-M262 HydrophobicContact CB-SD 4.19Å; A223-M262 PolarHBondContact N-SD 2.78Å; A223-M262 VanDerWaalsContact N-SD 3.36Å
224L97.4Very high95.5Very high124 Ų12459.8 Ų59.865%0.64931%0.307SS*.THydrogen-bonded Turntrans-76.51.1172.7-61.9-173.3000114.1H222 R226 G257H222-L224 VanDerWaalsContact C-N 3.26Å; H222-L224 PolarHBondContact O-N 3.1Å; L224-R226 VanDerWaalsContact C-N 3.31Å; L224-R226 PolarHBondContact O-N 2.71Å; L224-G257 PolarHBondContact N-O 3.32Å
225G96.2Very high95.7Very high30 Ų3062 Ų6231%0.30932%0.318SS..SBendtrans69.720.6170.200000115.6K219 H222 A223K219-G225 WeakPolarHBondContact CA-O 3.33Å; K219-G225 WeakPolarHBondContact CG-O 3.25Å; K219-G225 WeakPolarHBondContact O-CA 3.25Å; H222-G225 PolarHBondContact O-N 2.77Å; A223-G225 PolarHBondContact O-N 3.24Å
226R96.8Very high96Very high104 Ų10461.9 Ų61.939%0.39232%0.32SS..SBendtrans-155160176.562.5165.4-179.886.8-2.1112.5L224 E232L224-R226 VanDerWaalsContact C-N 3.31Å; L224-R226 PolarHBondContact O-N 2.71Å; R226-E232 IonicContact CZ-OE1 2.87Å; R226-E232 IonicContact CZ-OE2 2.77Å; R226-E232 IonicContact NH1-OE1 2.84Å; R226-E232 PolarHBondContact NH1-OE1 3.48Å; R226-E232 IonicContact NH1-OE2 3.51Å; R226-E232 PolarHBondContact NH1-OE2 2.73Å; R226-E232 IonicContact NH2-OE1 3.33Å; R226-E232 PolarHBondContact NH2-OE1 2.81Å; R226-E232 IonicContact NH2-OE2 3.91Å
227P96.6Very high96.2Very high18 Ų1856.8 Ų56.812%0.11730%0.296CS..PPolyproline II helixtrans-64.9160161.232.2-37.3000111.2V195 I197 L215 C218V195-P227 HydrophobicContact CG1-CB 4.01Å; V195-P227 WeakPolarHBondContact O-CA 3.33Å; I197-P227 HydrophobicContact CD1-CG 3.94Å; I197-P227 HydrophobicContact CG1-CB 4Å; I197-P227 HydrophobicContact CG1-CG 3.92Å; L215-P227 HydrophobicContact CD2-CB 4.3Å; L215-P227 HydrophobicContact CD2-CG 4.3Å; C218-P227 HydrophobicContact CB-CB 4.34Å
228G97.3Very high96.5Very high11 Ų1150.4 Ų50.411%0.11327%0.268CS..BIsolated β-bridgetrans-88163.317300000112.9V195 I196 I197 E232V195-G228 PolarHBondContact O-N 3.19Å; I196-G228 VanDerWaalsContact CA-O 3.29Å; I196-G228 WeakPolarHBondContact CA-O 3.19Å; I197-G228 PolarHBondContact N-O 3.27Å; G228-E232 VanDerWaalsContact CA-OE2 3.24Å; G228-E232 WeakPolarHBondContact CA-OE2 3.47Å
229E97.8Very high96.8Very high90 Ų9053.4 Ų53.442%0.42128%0.281SS..PPolyproline II helixtrans-100.9156.1175-61.3-59.4158.700111.6I197 D231 E232I197-E229 VanDerWaalsContact CD1-OE1 3.26Å; I197-E229 WeakPolarHBondContact CD1-OE1 3.41Å; E229-D231 PolarHBondContact O-N 3.34Å; E229-E232 HydrophobicContact CB-CG 4.31Å; E229-E232 PolarHBondContact N-OE2 3.45Å; E229-E232 PolarHBondContact O-N 3.4Å; E229-E232 VanDerWaalsContact O-N 3.17Å
230V97.8Very high97.1Very high24 Ų2448.1 Ų48.115%0.14526%0.258CS..Hα-helixtrans-55.9-40.6177.5165.40000111.6I196 T198 E232 V233 A234I196-V230 HydrophobicContact CG2-CG2 4.02Å; T198-V230 HydrophobicContact CG2-CG2 3.58Å; V230-E232 VanDerWaalsContact C-N 3.3Å; V230-E232 PolarHBondContact O-N 2.98Å; V230-V233 PolarHBondContact O-N 3.39Å; V230-A234 PolarHBondContact O-N 3.44Å
231D96.6Very high97.3Very high93 Ų9342 Ų4250%0.49723%0.23SC..Hα-helixtrans-63.3-35.5-178.4-76.82.2000111.9E229 V233 A234 H235E229-D231 PolarHBondContact O-N 3.34Å; D231-V233 VanDerWaalsContact C-N 3.29Å; D231-V233 PolarHBondContact O-N 3.16Å; D231-A234 PolarHBondContact O-N 3.44Å; D231-H235 PolarHBondContact O-N 2.97Å; D231-H235 PolarHBondContact O-ND1 3.13Å
232E98.1Very high97.5Very high73 Ų7340.1 Ų40.134%0.34122%0.218SC..Hα-helixtrans-62-39.6178.5-63.2-179.7110.800111.1R226 G228 E229 V230R226-E232 IonicContact CZ-OE1 2.87Å; R226-E232 IonicContact CZ-OE2 2.77Å; R226-E232 IonicContact NH1-OE1 2.84Å; R226-E232 PolarHBondContact NH1-OE1 3.48Å; R226-E232 IonicContact NH1-OE2 3.51Å; R226-E232 PolarHBondContact NH1-OE2 2.73Å; R226-E232 IonicContact NH2-OE1 3.33Å; R226-E232 PolarHBondContact NH2-OE1 2.81Å; R226-E232 IonicContact NH2-OE2 3.91Å; G228-E232 VanDerWaalsContact CA-OE2 3.24Å; G228-E232 WeakPolarHBondContact CA-OE2 3.47Å; E229-E232 HydrophobicContact CB-CG 4.31Å; E229-E232 PolarHBondContact N-OE2 3.45Å; E229-E232 PolarHBondContact O-N 3.4Å; E229-E232 VanDerWaalsContact O-N 3.17Å; V230-E232 VanDerWaalsContact C-N 3.3Å; V230-E232 PolarHBondContact O-N 2.98Å
233V98.6Very high97.5Very high0 Ų045 Ų450%024%0.244CC..Hα-helixtrans-72.6-43.1175-174.60000111.3I26 V191 P193 I196 V230 D231 H235 C236 I237 I255I26-V233 HydrophobicContact CD1-CG1 4.22Å; I26-V233 HydrophobicContact CD1-CG2 4.44Å; I26-V233 HydrophobicContact CG1-CB 4.44Å; I26-V233 HydrophobicContact CG1-CG1 4.38Å; I26-V233 HydrophobicContact CG2-CB 4.27Å; I26-V233 HydrophobicContact CG2-CG1 3.68Å; V191-V233 HydrophobicContact CG2-CG1 4.08Å; P193-V233 HydrophobicContact CB-CG2 4.02Å; P193-V233 HydrophobicContact CG-CG1 3.87Å; P193-V233 HydrophobicContact CG-CG2 4.04Å; I196-V233 HydrophobicContact CD1-CG2 3.64Å; I196-V233 HydrophobicContact CG1-CG2 3.82Å; V230-V233 PolarHBondContact O-N 3.39Å; D231-V233 VanDerWaalsContact C-N 3.29Å; D231-V233 PolarHBondContact O-N 3.16Å; V233-H235 VanDerWaalsContact C-N 3.31Å; V233-H235 PolarHBondContact O-N 3.02Å; V233-C236 PolarHBondContact O-N 3.42Å; V233-C236 VanDerWaalsContact O-N 3.16Å; V233-I237 HydrophobicContact CG1-CD1 3.92Å; V233-I237 HydrophobicContact CG1-CG1 4.35Å; V233-I237 WeakPolarHBondContact O-CG1 3.36Å; V233-I237 PolarHBondContact O-N 3.21Å; V233-I255 HydrophobicContact CG1-CD1 4.37Å; V233-I255 HydrophobicContact CG2-CG2 4.07Å
234A98.3Very high97.4Very high0 Ų044 Ų440%024%0.236CC..Hα-helixtrans-58.9-41-179.100000112.1L33 V230 D231 C236 I237 A238L33-A234 HydrophobicContact CB-CB 4.34Å; L33-A234 VanDerWaalsContact CD2-C 3.41Å; L33-A234 HydrophobicContact CD2-CB 3.78Å; L33-A234 WeakPolarHBondContact CD2-O 3.37Å; V230-A234 PolarHBondContact O-N 3.44Å; D231-A234 PolarHBondContact O-N 3.44Å; A234-C236 PolarHBondContact O-N 3.48Å; A234-I237 PolarHBondContact O-N 2.95Å; A234-A238 WeakPolarHBondContact O-CB 3.49Å; A234-A238 PolarHBondContact O-N 3.21Å
235H98Very high97.4Very high100 Ų10038.2 Ų38.246%0.46321%0.206SC..Hα-helixtrans-63.4-40.4176.6-7589.2000112.2L33 D231 V233 A238 F239L33-H235 HydrophobicContact CD2-CB 4.42Å; D231-H235 PolarHBondContact O-N 2.97Å; D231-H235 PolarHBondContact O-ND1 3.13Å; V233-H235 VanDerWaalsContact C-N 3.31Å; V233-H235 PolarHBondContact O-N 3.02Å; H235-A238 PolarHBondContact O-N 2.97Å; H235-F239 WeakPolarHBondContact O-CB 3.23Å; H235-F239 PolarHBondContact O-N 3.43Å
236C98.4Very high97.4Very high35 Ų3541 Ų4124%0.23622%0.221CC..Hα-helixtrans-66.9-37.9174.6-68.50000112.4V191 V233 A234 F239 L240 L253 I255V191-C236 HydrophobicContact CG1-CB 4.24Å; V233-C236 PolarHBondContact O-N 3.42Å; V233-C236 VanDerWaalsContact O-N 3.16Å; A234-C236 PolarHBondContact O-N 3.48Å; C236-F239 PolarHBondContact O-N 3.16Å; C236-L240 WeakPolarHBondContact O-CB 3.46Å; C236-L240 WeakPolarHBondContact O-CG 3.42Å; C236-L240 PolarHBondContact O-N 3.03Å; C236-L253 HydrophobicContact CB-CD2 4.16Å; C236-I255 HydrophobicContact CB-CD1 3.51Å; C236-I255 HydrophobicContact CB-CG1 4.01Å
237I98.8Very high97.4Very high0 Ų045.9 Ų45.90%025%0.245CC..Hα-helixtrans-62-45.5173.2-66.6167.6000110.3I26 T30 F34 V97 V146 V148 V191 V233 A234 L240 A241I26-I237 HydrophobicContact CG2-CD1 3.7Å; T30-I237 HydrophobicContact CG2-CB 4.28Å; T30-I237 HydrophobicContact CG2-CD1 4.38Å; T30-I237 HydrophobicContact CG2-CG2 3.69Å; T30-I237 WeakPolarHBondContact OG1-CD1 3.28Å; F34-I237 HydrophobicContact CE1-CG2 4.02Å; F34-I237 HydrophobicContact CZ-CG2 3.9Å; V97-I237 HydrophobicContact CG1-CD1 4.49Å; V97-I237 HydrophobicContact CG1-CG2 4.03Å; V97-I237 HydrophobicContact CG2-CG2 3.91Å; V146-I237 HydrophobicContact CB-CG2 4.2Å; V146-I237 HydrophobicContact CG1-CB 4.33Å; V146-I237 HydrophobicContact CG1-CG1 4.04Å; V146-I237 HydrophobicContact CG1-CG2 4.01Å; V146-I237 HydrophobicContact CG2-CG2 4.5Å; V148-I237 HydrophobicContact CG2-CD1 3.92Å; V191-I237 HydrophobicContact CB-CG1 4.48Å; V191-I237 HydrophobicContact CG1-CG1 3.88Å; V191-I237 HydrophobicContact CG2-CD1 4.09Å; V191-I237 HydrophobicContact CG2-CG1 3.8Å; V233-I237 HydrophobicContact CG1-CD1 3.92Å; V233-I237 HydrophobicContact CG1-CG1 4.35Å; V233-I237 WeakPolarHBondContact O-CG1 3.36Å; V233-I237 PolarHBondContact O-N 3.21Å; A234-I237 PolarHBondContact O-N 2.95Å; I237-L240 PolarHBondContact O-N 2.71Å; I237-A241 VanDerWaalsContact O-CB 3.28Å; I237-A241 WeakPolarHBondContact O-CB 3.14Å; I237-A241 PolarHBondContact O-N 3.29Å
238A98.2Very high97.5Very high0 Ų047.7 Ų47.70%025%0.253CS..Hα-helixtrans-62.1-43.6177.700000112.2L33 F34 L37 A234 H235 A241 S242L33-A238 HydrophobicContact CD2-CB 4.02Å; F34-A238 HydrophobicContact CD1-CB 4.28Å; F34-A238 HydrophobicContact CE1-CB 3.77Å; L37-A238 HydrophobicContact CD1-CB 3.64Å; A234-A238 WeakPolarHBondContact O-CB 3.49Å; A234-A238 PolarHBondContact O-N 3.21Å; H235-A238 PolarHBondContact O-N 2.97Å; A238-A241 PolarHBondContact O-N 3.29Å; A238-S242 VanDerWaalsContact O-CB 3.29Å; A238-S242 WeakPolarHBondContact O-CB 3.39Å; A238-S242 PolarHBondContact O-N 2.78Å; A238-S242 PolarHBondContact O-OG 2.89Å
239F98.2Very high97.6Very high64 Ų6450.1 Ų50.128%0.28127%0.266SS..Hα-helixtrans-56.3-54.1173.6168.8-106.8000111.2V9 H235 C236 A241 S242 A244 A245 I248V9-F239 HydrophobicContact CG1-CD2 4.5Å; H235-F239 WeakPolarHBondContact O-CB 3.23Å; H235-F239 PolarHBondContact O-N 3.43Å; C236-F239 PolarHBondContact O-N 3.16Å; F239-A241 VanDerWaalsContact C-N 3.29Å; F239-A241 PolarHBondContact O-N 3.08Å; F239-S242 PolarHBondContact O-N 2.66Å; F239-S242 VanDerWaalsContact O-N 3.1Å; F239-S242 PolarHBondContact O-OG 3.27Å; F239-A244 HydrophobicContact CD2-CB 3.84Å; F239-A244 HydrophobicContact CE2-CB 3.76Å; F239-A245 HydrophobicContact CD1-CB 4.5Å; F239-A245 HydrophobicContact CE1-CB 4.17Å; F239-A245 HydrophobicContact CE2-CB 4.5Å; F239-A245 HydrophobicContact CZ-CB 4.17Å; F239-A245 WeakPolarHBondContact O-CB 3.26Å; F239-I248 HydrophobicContact CE1-CD1 3.73Å; F239-I248 HydrophobicContact CZ-CD1 3.73Å
240L98.4Very high97.6Very high1 Ų146.9 Ų46.91%0.00526%0.257CS..Hα-helixtrans-63.3-32.2-179.4-71175.4000112.9S144 V146 R187 N189 V191 C236 I237 A245 I248 V251 L253S144-L240 PolarHBondContact OG-O 3.14Å; V146-L240 HydrophobicContact CG1-CB 4.5Å; V146-L240 HydrophobicContact CG1-CD1 4.29Å; V146-L240 HydrophobicContact CG2-CB 3.9Å; R187-L240 VanDerWaalsContact CZ-O 3.29Å; R187-L240 PolarHBondContact NH1-O 3.47Å; R187-L240 PolarHBondContact NH2-O 3.18Å; N189-L240 HydrophobicContact CB-CD1 3.99Å; N189-L240 HydrophobicContact CB-CD2 4.13Å; N189-L240 HydrophobicContact CB-CG 4.47Å; V191-L240 HydrophobicContact CG1-CD1 3.73Å; C236-L240 WeakPolarHBondContact O-CB 3.46Å; C236-L240 WeakPolarHBondContact O-CG 3.42Å; C236-L240 PolarHBondContact O-N 3.03Å; I237-L240 PolarHBondContact O-N 2.71Å; L240-A245 HydrophobicContact CD2-CB 4.36Å; L240-I248 HydrophobicContact CD2-CG2 4.08Å; L240-V251 HydrophobicContact CD2-CG1 4.17Å; L240-L253 HydrophobicContact CD1-CB 4.44Å; L240-L253 HydrophobicContact CD1-CD2 4.07Å; L240-L253 HydrophobicContact CG-CD2 4.39Å
241A98.3Very high97.7Very high0 Ų048.2 Ų48.20%027%0.265CS..Hα-helixtrans-75.6-24.2175.800000113.7L12 F34 V95 V146 I237 A238 F239L12-A241 HydrophobicContact CD2-CB 4.31Å; F34-A241 HydrophobicContact CE2-CB 4.29Å; F34-A241 HydrophobicContact CZ-CB 3.74Å; V95-A241 HydrophobicContact CG1-CB 3.69Å; V95-A241 HydrophobicContact CG2-CB 4.12Å; V146-A241 HydrophobicContact CG2-CB 4.29Å; I237-A241 VanDerWaalsContact O-CB 3.28Å; I237-A241 WeakPolarHBondContact O-CB 3.14Å; I237-A241 PolarHBondContact O-N 3.29Å; A238-A241 PolarHBondContact O-N 3.29Å; F239-A241 VanDerWaalsContact C-N 3.29Å; F239-A241 PolarHBondContact O-N 3.08Å
242S96.9Very high97.8Very high1 Ų144.7 Ų44.71%0.00725%0.246CC..SBendtrans-86.1172.4-176.278.40000113.6R187 A238 F239 A244 A245R187-S242 PolarHBondContact NH2-O 3.24Å; A238-S242 VanDerWaalsContact O-CB 3.29Å; A238-S242 WeakPolarHBondContact O-CB 3.39Å; A238-S242 PolarHBondContact O-N 2.78Å; A238-S242 PolarHBondContact O-OG 2.89Å; F239-S242 PolarHBondContact O-N 2.66Å; F239-S242 VanDerWaalsContact O-N 3.1Å; F239-S242 PolarHBondContact O-OG 3.27Å; S242-A244 PolarHBondContact O-N 3.44Å; S242-A244 WeakPolarHBondContact OG-CB 3.38Å; S242-A244 PolarHBondContact OG-N 3.23Å; S242-A245 PolarHBondContact O-N 3.29Å
243D94.1Very high97.8Very high108 Ų10843.6 Ų43.658%0.57824%0.242SC*.G310 helixtrans-74.3-10.2178-55.3-26.5000112.6K15 A245 S246K15-D243 IonicContact NZ-OD1 3.31Å; K15-D243 PolarHBondContact NZ-OD1 2.87Å; K15-D243 IonicContact NZ-OD2 3.69Å; D243-A245 PolarHBondContact O-N 3.45Å; D243-S246 WeakPolarHBondContact O-CB 3.4Å; D243-S246 PolarHBondContact O-N 2.91Å; D243-S246 PolarHBondContact O-OG 3.32Å
244A95.6Very high97.8Very high49 Ų4945.6 Ų45.641%0.40526%0.255SS..G310 helixtrans-64.1-20.9170.500000112.4V9 F239 S242V9-A244 HydrophobicContact CG1-CB 4.32Å; F239-A244 HydrophobicContact CD2-CB 3.84Å; F239-A244 HydrophobicContact CE2-CB 3.76Å; S242-A244 PolarHBondContact O-N 3.44Å; S242-A244 WeakPolarHBondContact OG-CB 3.38Å; S242-A244 PolarHBondContact OG-N 3.23Å
245A96.4Very high97.8Very high1 Ų146.8 Ų46.81%0.00826%0.261CS..G310 helixtrans-102.424.717400000112.6R187 F239 L240 S242 D243 F247 I248R187-A245 WeakPolarHBondContact CD-O 3.44Å; R187-A245 PolarHBondContact NE-O 3.14Å; R187-A245 PolarHBondContact NH1-O 2.86Å; R187-A245 VanDerWaalsContact NH1-O 3.11Å; F239-A245 HydrophobicContact CD1-CB 4.5Å; F239-A245 HydrophobicContact CE1-CB 4.17Å; F239-A245 HydrophobicContact CE2-CB 4.5Å; F239-A245 HydrophobicContact CZ-CB 4.17Å; F239-A245 WeakPolarHBondContact O-CB 3.26Å; L240-A245 HydrophobicContact CD2-CB 4.36Å; S242-A245 PolarHBondContact O-N 3.29Å; D243-A245 PolarHBondContact O-N 3.45Å; A245-F247 PolarHBondContact O-N 2.73Å; A245-F247 VanDerWaalsContact O-N 3.07Å; A245-I248 HydrophobicContact CB-CB 4.23Å; A245-I248 HydrophobicContact CB-CD1 4.1Å; A245-I248 HydrophobicContact CB-CG1 4.42Å; A245-I248 PolarHBondContact O-N 3.16Å
246S95.9Very high97.8Very high89 Ų8942.5 Ų42.562%0.62224%0.242SC*.THydrogen-bonded Turntrans-56.5-25.7-173.648.80000114.9D243D243-S246 WeakPolarHBondContact O-CB 3.4Å; D243-S246 PolarHBondContact O-N 2.91Å; D243-S246 PolarHBondContact O-OG 3.32Å
247F97.5Very high97.7Very high206 Ų20641.9 Ų41.990%0.90424%0.241SC*.THydrogen-bonded Turntrans-107.520.7176.3-156.6-119.8000113.8A245A245-F247 PolarHBondContact O-N 2.73Å; A245-F247 VanDerWaalsContact O-N 3.07Å
248I98.6Very high97.6Very high56 Ų5642.9 Ų42.929%0.28725%0.252SS..  trans-118.3115.2-179.6-52.8177.4000109.7R187 N189 F239 L240 A245 V251R187-I248 WeakPolarHBondContact CD-O 3.37Å; R187-I248 PolarHBondContact NH1-O 2.93Å; N189-I248 PolarHBondContact ND2-O 3.44Å; F239-I248 HydrophobicContact CE1-CD1 3.73Å; F239-I248 HydrophobicContact CZ-CD1 3.73Å; L240-I248 HydrophobicContact CD2-CG2 4.08Å; A245-I248 HydrophobicContact CB-CB 4.23Å; A245-I248 HydrophobicContact CB-CD1 4.1Å; A245-I248 HydrophobicContact CB-CG1 4.42Å; A245-I248 PolarHBondContact O-N 3.16Å; I248-V251 HydrophobicContact CG2-CB 4.07Å; I248-V251 HydrophobicContact CG2-CG1 3.62Å
249T98.8Very high97.5Very high62 Ų6244.4 Ų44.438%0.3826%0.257SS..  trans-145.1147.5170.4-162.10000109.6V188 N189 V251V188-T249 PolarHBondContact N-OG1 3.44Å; V188-T249 PolarHBondContact O-OG1 3.23Å; N189-T249 VanDerWaalsContact OD1-C 3.24Å; N189-T249 WeakPolarHBondContact OD1-CA 3.35Å; N189-T249 PolarHBondContact OD1-N 3.48Å; T249-V251 VanDerWaalsContact C-N 3.33Å; T249-V251 PolarHBondContact O-N 2.98Å
250G98.7Very high97.3Very high22 Ų2244.5 Ų44.523%0.22726%0.259CS..SBendtrans78.66-179.500000115.4V188 N189V188-G250 WeakPolarHBondContact O-CA 3.28Å; V188-G250 PolarHBondContact O-N 3.39Å; N189-G250 PolarHBondContact OD1-N 2.92Å; N189-G250 VanDerWaalsContact OD1-N 3.13Å
251V98.8Very high97.2Very high53 Ų5347.9 Ų47.932%0.32129%0.287SS..  trans-80.1142.8-179.182.10000111.6N189 S190 L240 I248 T249 L253N189-V251 HydrophobicContact CB-CG1 3.99Å; N189-V251 WeakPolarHBondContact OD1-CG1 3.43Å; N189-V251 PolarHBondContact OD1-N 3.01Å; N189-V251 VanDerWaalsContact OD1-N 3.12Å; S190-V251 PolarHBondContact N-O 3.35Å; L240-V251 HydrophobicContact CD2-CG1 4.17Å; I248-V251 HydrophobicContact CG2-CB 4.07Å; I248-V251 HydrophobicContact CG2-CG1 3.62Å; T249-V251 VanDerWaalsContact C-N 3.33Å; T249-V251 PolarHBondContact O-N 2.98Å; V251-L253 HydrophobicContact CG1-CB 4.29Å
252N98.8Very high96.8Very high18 Ų1849.6 Ų49.610%0.09630%0.295CS..EExtended strand (participates in β ladder)trans-107.896.5163.2-68.2-1.5000107.8D171 R175 S190 P254D171-N252 WeakPolarHBondContact CA-ND2 3.33Å; D171-N252 WeakPolarHBondContact CB-ND2 3.35Å; D171-N252 PolarHBondContact O-ND2 3.19Å; D171-N252 PolarHBondContact OD2-ND2 2.95Å; R175-N252 PolarHBondContact NH1-ND2 3.5Å; S190-N252 WeakPolarHBondContact OG-CA 3.32Å; S190-N252 VanDerWaalsContact OG-CG 3.24Å; S190-N252 PolarHBondContact OG-OD1 3.3Å; N252-P254 VanDerWaalsContact O-CD 3.26Å; N252-P254 WeakPolarHBondContact O-CD 3.41Å
253L98.7Very high96.1Very high50 Ų5054.5 Ų54.526%0.26233%0.328SS..EExtended strand (participates in β ladder)trans-87.3110.5-169.7179.363.2000111.3S190 V191 C192 C236 L240 V251 I255S190-L253 PolarHBondContact O-N 2.92Å; V191-L253 CarbonylContact C-O 3.6Å; C192-L253 PolarHBondContact N-O 2.96Å; C236-L253 HydrophobicContact CB-CD2 4.16Å; L240-L253 HydrophobicContact CD1-CB 4.44Å; L240-L253 HydrophobicContact CD1-CD2 4.07Å; L240-L253 HydrophobicContact CG-CD2 4.39Å; V251-L253 HydrophobicContact CG1-CB 4.29Å; L253-I255 HydrophobicContact CG-CG1 4.49Å; L253-I255 PolarHBondContact O-N 3.5Å
254P98.5Very high94.8Very high42 Ų4254.9 Ų54.927%0.27334%0.337SS..EExtended strand (participates in β ladder)trans-69.4130.6177.5-16.833000111.8N252 H260N252-P254 VanDerWaalsContact O-CD 3.26Å; N252-P254 WeakPolarHBondContact O-CD 3.41Å; P254-H260 WeakPolarHBondContact CB-ND1 3.28Å
255I98.3Very high93Very high26 Ų2665 Ų6513%0.13336%0.364CS..EExtended strand (participates in β ladder)trans-129.570172.8-55.8136.4000107.1V191 C192 P193 G194 V233 C236 L253V191-I255 HydrophobicContact CB-CD1 3.48Å; V191-I255 VanDerWaalsContact CB-CD1 3.48Å; V191-I255 HydrophobicContact CG1-CD1 3.54Å; C192-I255 PolarHBondContact O-N 2.7Å; P193-I255 VanDerWaalsContact CA-O 3.32Å; P193-I255 WeakPolarHBondContact CA-O 3.36Å; G194-I255 PolarHBondContact N-O 2.77Å; V233-I255 HydrophobicContact CG1-CD1 4.37Å; V233-I255 HydrophobicContact CG2-CG2 4.07Å; C236-I255 HydrophobicContact CB-CD1 3.51Å; C236-I255 HydrophobicContact CB-CG1 4.01Å; L253-I255 HydrophobicContact CG-CG1 4.49Å; L253-I255 PolarHBondContact O-N 3.5Å
256D97.6Very high92.9Very high10 Ų1068.2 Ų68.25%0.05338%0.382CS..SBendtrans-141.119.5-161.173.2-12.4000113.5G194 H222 G258 R259 H260G194-D256 VanDerWaalsContact CA-CB 3.47Å; G194-D256 VanDerWaalsContact N-CB 3.34Å; H222-D256 PolarHBondContact CD2-O 3.3Å; D256-G258 PolarHBondContact O-N 3.41Å; D256-G258 PolarHBondContact OD1-N 2.97Å; D256-R259 HydrophobicContact CB-CB 4.16Å; D256-R259 VanDerWaalsContact O-CB 3.23Å; D256-R259 WeakPolarHBondContact O-CB 3.25Å; D256-R259 PolarHBondContact O-N 3.23Å; D256-R259 PolarHBondContact OD1-N 2.87Å; D256-H260 VanDerWaalsContact CG-ND1 3.27Å; D256-H260 IonicContact OD1-CE1 3.77Å; D256-H260 IonicContact OD1-ND1 3.68Å; D256-H260 PolarHBondContact OD1-ND1 3.45Å; D256-H260 WeakPolarHBondContact OD2-CA 3.21Å; D256-H260 WeakPolarHBondContact OD2-CB 3.29Å; D256-H260 IonicContact OD2-CG 2.68Å; D256-H260 PolarHBondContact OD2-N 2.79Å; D256-H260 IonicContact OD2-ND1 3.19Å; D256-H260 PolarHBondContact OD2-ND1 3.48Å
257G97.4Very high92.7Very high21 Ų2167.1 Ų67.122%0.21637%0.369CS..THydrogen-bonded Turntrans53.929.1-179.100000113.8A223 L224A223-G257 WeakPolarHBondContact CA-O 3.43Å; A223-G257 WeakPolarHBondContact CB-O 3.23Å; A223-G257 PolarHBondContact N-O 2.75Å; L224-G257 PolarHBondContact N-O 3.32Å
258G96.6Very high92.4Very high22 Ų2259.3 Ų59.323%0.22734%0.34CS..THydrogen-bonded Turntrans84.27.5179.900000114.9D256 H260 A261 M262D256-G258 PolarHBondContact O-N 3.41Å; D256-G258 PolarHBondContact OD1-N 2.97Å; G258-H260 VanDerWaalsContact C-N 3.32Å; G258-H260 PolarHBondContact O-N 3.47Å; G258-A261 PolarHBondContact O-N 3.43Å; G258-M262 WeakPolarHBondContact O-CG 3.34Å; G258-M262 PolarHBondContact O-N 3.37Å
259R95.4Very high92.1Very high31 Ų3159.5 Ų59.512%0.11734%0.343CS..G310 helixtrans-56.9-40.6-178177.9164.1178.7175.9-0.3113.3V151 F157 T221 H222 D256 A261 M262V151-R259 HydrophobicContact CG2-CG 4.26Å; F157-R259 VanDerWaalsContact CE1-NH2 3.33Å; F157-R259 HydrophobicContact CZ-CG 4.47Å; T221-R259 VanDerWaalsContact O-CG 3.29Å; T221-R259 WeakPolarHBondContact O-CG 3.21Å; H222-R259 PolarHBondContact CE1-NH1 3.47Å; H222-R259 VanDerWaalsContact CE1-NH1 3.25Å; H222-R259 WeakPolarHBondContact NE2-CD 3.33Å; D256-R259 HydrophobicContact CB-CB 4.16Å; D256-R259 VanDerWaalsContact O-CB 3.23Å; D256-R259 WeakPolarHBondContact O-CB 3.25Å; D256-R259 PolarHBondContact O-N 3.23Å; D256-R259 PolarHBondContact OD1-N 2.87Å; R259-A261 PolarHBondContact O-N 3.15Å; R259-M262 PolarHBondContact O-N 2.88Å
260H94.9Very high91.7Very high67 Ų6759.4 Ų59.431%0.3134%0.34SS..G310 helixtrans-65.1-24.3177.272.6-76.2000113.3V151 R155 P254 D256 G258V151-H260 HydrophobicContact CG2-CB 4.04Å; R155-H260 HydrophobicContact CG-CB 4.25Å; R155-H260 PolarHBondContact NH1-O 2.83Å; P254-H260 WeakPolarHBondContact CB-ND1 3.28Å; D256-H260 VanDerWaalsContact CG-ND1 3.27Å; D256-H260 IonicContact OD1-CE1 3.77Å; D256-H260 IonicContact OD1-ND1 3.68Å; D256-H260 PolarHBondContact OD1-ND1 3.45Å; D256-H260 WeakPolarHBondContact OD2-CA 3.21Å; D256-H260 WeakPolarHBondContact OD2-CB 3.29Å; D256-H260 IonicContact OD2-CG 2.68Å; D256-H260 PolarHBondContact OD2-N 2.79Å; D256-H260 IonicContact OD2-ND1 3.19Å; D256-H260 PolarHBondContact OD2-ND1 3.48Å; G258-H260 VanDerWaalsContact C-N 3.32Å; G258-H260 PolarHBondContact O-N 3.47Å
261A94.8Very high91.2Very high72 Ų7261.9 Ų61.960%0.59535%0.348SS*.G310 helixtrans-91.6-13.5-179.300000112.9G258 R259G258-A261 PolarHBondContact O-N 3.43Å; R259-A261 PolarHBondContact O-N 3.15Å
262M91.6Very high90.6Very high36 Ų3662.5 Ų62.518%0.17735%0.35CS..SBendtrans-71143.3178-67-171.770.200111.7R155 H222 A223 G258 R259R155-M262 VanDerWaalsContact CZ-O 3.23Å; R155-M262 PolarHBondContact NH1-O 2.93Å; R155-M262 PolarHBondContact NH2-O 3.18Å; H222-M262 VanDerWaalsContact C-SD 3.55Å; A223-M262 HydrophobicContact CB-CG 4.22Å; A223-M262 HydrophobicContact CB-SD 4.19Å; A223-M262 PolarHBondContact N-SD 2.78Å; A223-M262 VanDerWaalsContact N-SD 3.36Å; G258-M262 WeakPolarHBondContact O-CG 3.34Å; G258-M262 PolarHBondContact O-N 3.37Å; R259-M262 PolarHBondContact O-N 2.88Å
263C81.3Confident90Very high104 Ų10465.9 Ų65.970%0.70337%0.369SS*.PPolyproline II helixtrans-73.1148.9168.6-67.80000110.4R265C263-R265 PolarHBondContact O-N 3.08Å
264P66.3Low89.3Confident116 Ų11667.3 Ų67.375%0.75338%0.378SS*.PPolyproline II helixtrans-52.2128.9164.1-19.631.8000108.9
265R58.8Low88.5Confident260 Ų26069.5 Ų69.598%0.98139%0.388SS*.  trans-93.30170.3-69.7-172.5-176.9176.92.1109.2C263C263-R265 PolarHBondContact O-N 3.08Å

Retrieved 265 of 265 residues in 2163.6 ms (Link to these results)

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