A0A087YNN3_POEFO Loading...

Transmembrane protein 53

AlphaFold DB , UniProt , Accession A0A087YNN3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 286 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
1M34Very low72.1Confident235 Ų23596.5 Ų96.5100%1.15855%0.553SS**  0122.10-58-167.7-43.700106A3M1-A3 PolarHBondContact O-N 3.16Å
2A32.3Very low73.9Confident109 Ų10996.8 Ų96.890%0.90154%0.543SS*.  trans-60.9111.6178.800000108D4A2-D4 PolarHBondContact O-N 3.46Å
3A43.8Very low75.1Confident83 Ų8391.2 Ų91.269%0.68651%0.514SS*.  trans-62.4122.8174.500000106.9M1 D5M1-A3 PolarHBondContact O-N 3.16Å; A3-D5 PolarHBondContact O-N 3.37Å
4D57.2Low76Confident142 Ų14291.6 Ų91.676%0.75951%0.514SS*.  trans-64.890.1172.7-14721.5000106.4A2 K84A2-D4 PolarHBondContact O-N 3.46Å; D4-K84 PolarHBondContact O-NZ 3.27Å
5D74Confident76.5Confident138 Ų13890.1 Ų90.174%0.73852%0.518SS*.  trans-65.7135.7-169.7-161.48.3000109.8A3A3-D5 PolarHBondContact O-N 3.37Å
6I85.5Confident76.9Confident20 Ų2086.4 Ų86.410%0.10351%0.505CS..  trans-88.2133179.552162.9000108.7Y8 Y60 K84 L85 I88I6-Y8 HydrophobicContact CG1-CD1 4.17Å; I6-Y8 WeakPolarHBondContact O-CD1 3.14Å; I6-Y8 PolarHBondContact O-N 3.35Å; I6-Y60 HydrophobicContact CB-CE2 3.93Å; I6-Y60 HydrophobicContact CD1-CE2 4.31Å; I6-K84 HydrophobicContact CD1-CB 3.7Å; I6-K84 HydrophobicContact CG1-CB 4.17Å; I6-K84 HydrophobicContact CG1-CD 4.4Å; I6-K84 HydrophobicContact CG2-CD 3.89Å; I6-L85 HydrophobicContact CD1-CD2 3.73Å; I6-L85 HydrophobicContact CD1-CG 3.8Å; I6-I88 HydrophobicContact CD1-CD1 4.14Å
7D87.8Confident77.2Confident139 Ų13982.6 Ų82.674%0.74348%0.483SS*.  trans-79.8102.2178.4-174.913.9000110.3Y60D7-Y60 WeakPolarHBondContact O-CD2 3.36Å
8Y91.4Very high77.5Confident51 Ų5180.8 Ų80.820%0.247%0.471CS..  trans-122.6159.617766.9-88.3000111I6 I10 I88 Y92I6-Y8 HydrophobicContact CG1-CD1 4.17Å; I6-Y8 WeakPolarHBondContact O-CD1 3.14Å; I6-Y8 PolarHBondContact O-N 3.35Å; Y8-I10 HydrophobicContact CD2-CB 4.43Å; Y8-I10 HydrophobicContact CE2-CB 4.33Å; Y8-I10 HydrophobicContact CE2-CG2 4.19Å; Y8-I88 HydrophobicContact CD1-CD1 3.4Å; Y8-I88 VanDerWaalsContact CD1-CD1 3.4Å; Y8-I88 HydrophobicContact CD1-CG1 4.46Å; Y8-I88 HydrophobicContact CD2-CD1 3.96Å; Y8-I88 HydrophobicContact CE1-CD1 3.44Å; Y8-I88 VanDerWaalsContact CE1-CD1 3.44Å; Y8-I88 HydrophobicContact CE1-CG1 4.04Å; Y8-I88 HydrophobicContact CE2-CD1 3.99Å; Y8-I88 HydrophobicContact CE2-CG2 4.23Å; Y8-I88 HydrophobicContact CG-CD1 3.69Å; Y8-Y92 HydrophobicContact CE2-CE2 4.01Å; Y8-Y92 WeakPolarHBondContact OH-CE2 3.42Å; Y8-Y92 PolarHBondContact OH-OH 3.34Å; Y8-Y92 VanDerWaalsContact OH-OH 3.14Å
9N95.3Very high77.7Confident60 Ų6084 Ų8432%0.32148%0.481SS..EExtended strand (participates in β ladder)trans-120.5119.3175.1-73.5-99.6000109.9D40 I58 R59N9-D40 PolarHBondContact ND2-OD1 2.91Å; N9-I58 CarbonylContact O-C 3.6Å; N9-R59 HydrophobicContact CB-CB 4.36Å; N9-R59 PolarHBondContact N-O 3.27Å; N9-R59 PolarHBondContact O-N 2.91Å
10I95.9Very high78.1Confident38 Ų3889.2 Ų89.220%0.19549%0.493CS..EExtended strand (participates in β ladder)trans-105.8139.4173.7-171.3165.7000110.5Y8 F12 V56 T57 I58 Y92Y8-I10 HydrophobicContact CD2-CB 4.43Å; Y8-I10 HydrophobicContact CE2-CB 4.33Å; Y8-I10 HydrophobicContact CE2-CG2 4.19Å; I10-F12 HydrophobicContact CD1-CE1 4.36Å; I10-F12 HydrophobicContact CD1-CE2 3.64Å; I10-F12 HydrophobicContact CD1-CZ 3.5Å; I10-F12 HydrophobicContact CG1-CD2 4.34Å; I10-F12 HydrophobicContact CG1-CE2 3.81Å; I10-F12 HydrophobicContact CG1-CZ 4.12Å; I10-F12 HydrophobicContact CG2-CE2 4.29Å; I10-V56 HydrophobicContact CD1-CG1 4.14Å; I10-V56 HydrophobicContact CG1-CG1 4.06Å; I10-T57 CarbonylContact C-O 3.41Å; I10-T57 VanDerWaalsContact CA-O 3.3Å; I10-T57 WeakPolarHBondContact CA-O 3.25Å; I10-I58 HydrophobicContact CB-CG1 4.42Å; I10-I58 HydrophobicContact CD1-CD1 4.34Å; I10-I58 HydrophobicContact CD1-CG1 3.97Å; I10-I58 HydrophobicContact CG1-CG1 3.98Å; I10-Y92 HydrophobicContact CD1-CD1 4.19Å; I10-Y92 HydrophobicContact CD1-CD2 3.98Å; I10-Y92 HydrophobicContact CD1-CE1 4.36Å; I10-Y92 HydrophobicContact CD1-CE2 4.18Å; I10-Y92 HydrophobicContact CD1-CG 3.98Å; I10-Y92 HydrophobicContact CG2-CE1 4.27Å; I10-Y92 HydrophobicContact CG2-CE2 4.49Å
11V95.9Very high78.4Confident46 Ų4688.5 Ų88.528%0.27949%0.486SS..EExtended strand (participates in β ladder)trans-131.4122.3175-179.10000108.7V56 T57V11-V56 WeakPolarHBondContact O-CA 3.3Å; V11-T57 PolarHBondContact N-O 3.11Å; V11-T57 PolarHBondContact O-N 3.13Å
12F93.4Very high80.7Confident100 Ų10078.8 Ų78.844%0.43944%0.436SS..PPolyproline II helixtrans-91.2139170.5-65.9-89.4000109.7I10 V56 Y92 V94I10-F12 HydrophobicContact CD1-CE1 4.36Å; I10-F12 HydrophobicContact CD1-CE2 3.64Å; I10-F12 HydrophobicContact CD1-CZ 3.5Å; I10-F12 HydrophobicContact CG1-CD2 4.34Å; I10-F12 HydrophobicContact CG1-CE2 3.81Å; I10-F12 HydrophobicContact CG1-CZ 4.12Å; I10-F12 HydrophobicContact CG2-CE2 4.29Å; F12-V56 HydrophobicContact CD1-CG1 4.05Å; F12-V56 HydrophobicContact CD1-CG2 3.7Å; F12-V56 HydrophobicContact CE1-CG1 4.01Å; F12-V56 HydrophobicContact CE1-CG2 4.09Å; F12-Y92 AromaticContact CE2-CD1 3.97Å; F12-Y92 HydrophobicContact CE2-CD1 3.97Å; F12-Y92 HydrophobicContact CE2-CE1 4.18Å; F12-Y92 AromaticContact CZ-CD1 3.65Å; F12-Y92 HydrophobicContact CZ-CD1 3.65Å; F12-Y92 HydrophobicContact CZ-CE1 4.32Å; F12-Y92 HydrophobicContact CZ-CG 4.16Å; F12-V94 HydrophobicContact CE1-CG1 4.37Å
13P89.6Confident83Confident25 Ų2581.6 Ų81.616%0.16243%0.431CS..PPolyproline II helixtrans-68.9156.3175.132.8-38000111.2L18 G54P13-L18 HydrophobicContact CG-CD1 3.72Å; P13-G54 WeakPolarHBondContact CG-O 3.13Å
14D88.1Confident84.1Confident96 Ų9681.8 Ų81.851%0.51344%0.441SS..PPolyproline II helixtrans-70.3151.9171.971.693.6000111.4G16 T17 L18D14-G16 PolarHBondContact O-N 2.97Å; D14-G16 WeakPolarHBondContact OD1-CA 3.44Å; D14-G16 PolarHBondContact OD1-N 3.41Å; D14-G16 VanDerWaalsContact OD1-N 3.1Å; D14-T17 VanDerWaalsContact CG-OG1 3.28Å; D14-T17 PolarHBondContact O-N 3.42Å; D14-T17 VanDerWaalsContact O-N 3.13Å; D14-T17 PolarHBondContact OD1-N 3.28Å; D14-T17 PolarHBondContact OD1-OG1 2.61Å; D14-T17 WeakPolarHBondContact OD2-CB 3.36Å; D14-T17 PolarHBondContact OD2-OG1 3.18Å; D14-L18 PolarHBondContact O-N 3.1Å
15A83.1Confident85.1Confident70 Ų7078 Ų7858%0.57942%0.423SS*.Hα-helixtrans-57.1-35.8-176.400000113.1L18 E19A15-L18 PolarHBondContact O-N 3.2Å; A15-E19 WeakPolarHBondContact O-CG 3.5Å; A15-E19 PolarHBondContact O-N 3.2Å
16G82.8Confident85.6Confident30 Ų3076.4 Ų76.431%0.30941%0.409SS..Hα-helixtrans-68-41.3179.400000112.3D14 R20D14-G16 PolarHBondContact O-N 2.97Å; D14-G16 WeakPolarHBondContact OD1-CA 3.44Å; D14-G16 PolarHBondContact OD1-N 3.41Å; D14-G16 VanDerWaalsContact OD1-N 3.1Å; G16-R20 WeakPolarHBondContact O-CB 3.45Å; G16-R20 WeakPolarHBondContact O-CD 3.32Å; G16-R20 WeakPolarHBondContact O-CG 3.2Å; G16-R20 PolarHBondContact O-N 3.43Å; G16-R20 VanDerWaalsContact O-N 3.16Å
17T83.1Confident85.9Confident22 Ų2277.7 Ų77.714%0.13542%0.415CS..Hα-helixtrans-68.6-38.6175-600000111.7D14 R20 H21D14-T17 VanDerWaalsContact CG-OG1 3.28Å; D14-T17 PolarHBondContact O-N 3.42Å; D14-T17 VanDerWaalsContact O-N 3.13Å; D14-T17 PolarHBondContact OD1-N 3.28Å; D14-T17 PolarHBondContact OD1-OG1 2.61Å; D14-T17 WeakPolarHBondContact OD2-CB 3.36Å; D14-T17 PolarHBondContact OD2-OG1 3.18Å; T17-R20 PolarHBondContact O-N 3.37Å; T17-H21 PolarHBondContact O-CD2 2.93Å; T17-H21 PolarHBondContact O-N 2.65Å
18L82.1Confident86.2Confident51 Ų5171.1 Ų71.127%0.26738%0.38SS..Hα-helixtrans-59.9-53.6175.9-168.8102.5000111.6P13 D14 A15 R20 H21 W22 E27P13-L18 HydrophobicContact CG-CD1 3.72Å; D14-L18 PolarHBondContact O-N 3.1Å; A15-L18 PolarHBondContact O-N 3.2Å; L18-R20 VanDerWaalsContact C-N 3.31Å; L18-R20 PolarHBondContact O-N 2.9Å; L18-H21 PolarHBondContact O-N 2.76Å; L18-W22 PolarHBondContact O-N 3.13Å; L18-E27 HydrophobicContact CD1-CB 3.75Å; L18-E27 HydrophobicContact CD1-CG 3.64Å
19E80.9Confident86.5Confident141 Ų14168.7 Ų68.766%0.65937%0.37SS*.Hα-helixtrans-60.3-41179.3-76.2-176.6175.300111.9A15 H21 Q23A15-E19 WeakPolarHBondContact O-CG 3.5Å; A15-E19 PolarHBondContact O-N 3.2Å; E19-H21 VanDerWaalsContact C-N 3.28Å; E19-H21 PolarHBondContact O-N 2.88Å; E19-Q23 WeakPolarHBondContact O-CG 3.41Å; E19-Q23 PolarHBondContact O-N 2.95Å
20R85.8Confident86.7Confident187 Ų18765.8 Ų65.871%0.70636%0.355SS*.Hα-helixtrans-61.1-35.9178.4-77.5170.2-172.9175.94113.2G16 T17 L18G16-R20 WeakPolarHBondContact O-CB 3.45Å; G16-R20 WeakPolarHBondContact O-CD 3.32Å; G16-R20 WeakPolarHBondContact O-CG 3.2Å; G16-R20 PolarHBondContact O-N 3.43Å; G16-R20 VanDerWaalsContact O-N 3.16Å; T17-R20 PolarHBondContact O-N 3.37Å; L18-R20 VanDerWaalsContact C-N 3.31Å; L18-R20 PolarHBondContact O-N 2.9Å
21H83.8Confident86.8Confident76 Ų7664.1 Ų64.135%0.35235%0.346SS..Hα-helixtrans-101.2-31.6-170.9-78.1-54.6000114.7T17 L18 E19 D52 K53T17-H21 PolarHBondContact O-CD2 2.93Å; T17-H21 PolarHBondContact O-N 2.65Å; L18-H21 PolarHBondContact O-N 2.76Å; E19-H21 VanDerWaalsContact C-N 3.28Å; E19-H21 PolarHBondContact O-N 2.88Å; H21-D52 PolarHBondContact NE2-O 3.39Å; H21-K53 WeakPolarHBondContact CB-O 3.39Å
22W83.8Confident86.9Confident31 Ų3161.9 Ų61.912%0.11733%0.333CS..Hα-helixtrans-118.2-12.5-170.8-55113.8000114.5L18 G24 T25 E27 P28 K53 G54 M269L18-W22 PolarHBondContact O-N 3.13Å; W22-G24 PolarHBondContact O-N 3.38Å; W22-T25 WeakPolarHBondContact O-CA 3.31Å; W22-T25 WeakPolarHBondContact O-CB 3.37Å; W22-T25 PolarHBondContact O-N 3.31Å; W22-T25 PolarHBondContact O-OG1 2.88Å; W22-E27 HydrophobicContact CG-CB 4.06Å; W22-P28 HydrophobicContact CH2-CG 3.55Å; W22-P28 HydrophobicContact CZ2-CG 3.65Å; W22-P28 HydrophobicContact CZ3-CG 4.06Å; W22-K53 VanDerWaalsContact CE2-O 3.32Å; W22-K53 WeakPolarHBondContact CZ2-O 3.33Å; W22-K53 PolarHBondContact NE1-O 3.45Å; W22-G54 VanDerWaalsContact CD1-O 3.32Å; W22-G54 VanDerWaalsContact NE1-C 3.31Å; W22-G54 PolarHBondContact NE1-O 3.06Å; W22-M269 HydrophobicContact CE3-CE 4.21Å; W22-M269 HydrophobicContact CH2-CE 4.46Å; W22-M269 HydrophobicContact CH2-CG 4.32Å; W22-M269 HydrophobicContact CZ3-CE 3.66Å; W22-M269 HydrophobicContact CZ3-CG 4.25Å
23Q79.1Confident87.1Confident167 Ų16757.2 Ų57.278%0.7831%0.312SS*.THydrogen-bonded Turntrans36.944.2166.8-62-174.84.800116.1E19E19-Q23 WeakPolarHBondContact O-CG 3.41Å; E19-Q23 PolarHBondContact O-N 2.95Å
24G67.9Low87.4Confident87 Ų8756.1 Ų56.190%0.89731%0.305SS*.THydrogen-bonded Turntrans93.1-2.2179.700000116.3W22W22-G24 PolarHBondContact O-N 3.38Å
25T78.5Confident87.6Confident63 Ų6354 Ų5439%0.38729%0.29SS..SBendtrans-83.215116363.60000110.3W22 E27W22-T25 WeakPolarHBondContact O-CA 3.31Å; W22-T25 WeakPolarHBondContact O-CB 3.37Å; W22-T25 PolarHBondContact O-N 3.31Å; W22-T25 PolarHBondContact O-OG1 2.88Å; T25-E27 PolarHBondContact O-N 2.99Å
26K83.9Confident87.7Confident105 Ų10551.3 Ų51.346%0.45727%0.268SS..PPolyproline II helixtrans-67.9124.8176.4-72.1-160.7171.7-1590110.5N96K26-N96 HydrophobicContact CD-CB 4.22Å; K26-N96 WeakPolarHBondContact CD-O 3.4Å
27E90.9Very high87.7Confident47 Ų4751.3 Ų51.322%0.2227%0.268CS..PPolyproline II helixtrans-61.7139.4177.764-79.9-169.900111.9L18 W22 T25 V56 S97L18-E27 HydrophobicContact CD1-CB 3.75Å; L18-E27 HydrophobicContact CD1-CG 3.64Å; W22-E27 HydrophobicContact CG-CB 4.06Å; T25-E27 PolarHBondContact O-N 2.99Å; E27-V56 HydrophobicContact CG-CG2 4.01Å; E27-S97 VanDerWaalsContact O-CB 3.25Å; E27-S97 WeakPolarHBondContact O-CB 3.05Å; E27-S97 PolarHBondContact O-OG 3.06Å
28P95.3Very high87.9Confident0 Ų050.9 Ų50.90%027%0.266CS..PPolyproline II helixtrans-69.2143.5175.8-19.131.4000113.2W22 C55 V56 P98 M269W22-P28 HydrophobicContact CH2-CG 3.55Å; W22-P28 HydrophobicContact CZ2-CG 3.65Å; W22-P28 HydrophobicContact CZ3-CG 4.06Å; P28-C55 CarbonylContact O-C 3.5Å; P28-C55 VanDerWaalsContact O-CA 3.31Å; P28-C55 WeakPolarHBondContact O-CA 3.23Å; P28-C55 WeakPolarHBondContact O-CB 3.48Å; P28-V56 PolarHBondContact O-N 3.35Å; P28-P98 CarbonylContact C-O 3.55Å; P28-P98 VanDerWaalsContact CA-O 3.23Å; P28-P98 WeakPolarHBondContact CA-O 3.46Å; P28-P98 HydrophobicContact CB-CB 4.37Å; P28-P98 HydrophobicContact CB-CG 4.12Å; P28-P98 HydrophobicContact CG-CG 4.03Å; P28-M269 HydrophobicContact CG-CE 4.31Å; P28-M269 HydrophobicContact CG-CG 4.44Å; P28-M269 HydrophobicContact CG-SD 3.88Å
29V97.9Very high88.2Confident0 Ų054.7 Ų54.70%028%0.28CS..EExtended strand (participates in β ladder)trans-96.9118.4167.3-175.70000108.7I31 V56 I58 L89 V94 P98 V99 F100V29-I31 HydrophobicContact CG1-CG1 4.39Å; V29-V56 CarbonylContact C-O 3.59Å; V29-V56 WeakPolarHBondContact CA-O 3.32Å; V29-V56 HydrophobicContact CG1-CB 4.48Å; V29-V56 HydrophobicContact CG1-CG1 4.37Å; V29-V56 HydrophobicContact CG2-CB 4.17Å; V29-I58 HydrophobicContact CG1-CD1 3.79Å; V29-I58 HydrophobicContact CG1-CG1 4.18Å; V29-L89 HydrophobicContact CB-CD2 4.42Å; V29-L89 HydrophobicContact CG1-CD2 3.82Å; V29-V94 HydrophobicContact CG2-CB 3.83Å; V29-V94 HydrophobicContact CG2-CG2 3.88Å; V29-P98 PolarHBondContact N-O 2.88Å; V29-V99 CarbonylContact O-C 3.59Å; V29-V99 WeakPolarHBondContact O-CA 3.31Å; V29-F100 PolarHBondContact O-N 3.1Å
30V98.4Very high88.8Confident0 Ų050.3 Ų50.30%026%0.261CS..EExtended strand (participates in β ladder)trans-102.5115.2178.3-176.50000109.9L32 Y50 C55 V56 T57 I58 F100V30-L32 HydrophobicContact CG1-CD1 3.95Å; V30-Y50 HydrophobicContact CB-CD2 4.3Å; V30-Y50 HydrophobicContact CB-CG 4.18Å; V30-Y50 HydrophobicContact CG1-CD1 4.3Å; V30-Y50 HydrophobicContact CG1-CD2 3.67Å; V30-Y50 HydrophobicContact CG1-CE1 4.38Å; V30-Y50 HydrophobicContact CG1-CE2 3.77Å; V30-Y50 HydrophobicContact CG1-CG 3.93Å; V30-Y50 HydrophobicContact CG2-CD1 3.93Å; V30-Y50 HydrophobicContact CG2-CD2 4.46Å; V30-Y50 HydrophobicContact CG2-CG 3.87Å; V30-C55 HydrophobicContact CG2-CB 3.88Å; V30-V56 PolarHBondContact N-O 3.09Å; V30-T57 HydrophobicContact CB-CG2 4.12Å; V30-T57 CarbonylContact O-C 3.55Å; V30-T57 VanDerWaalsContact O-CA 3.32Å; V30-T57 WeakPolarHBondContact O-CA 3.42Å; V30-I58 PolarHBondContact O-N 3.5Å; V30-F100 CarbonylContact C-O 3.56Å; V30-F100 VanDerWaalsContact CA-O 3.25Å; V30-F100 WeakPolarHBondContact CA-O 3.42Å; V30-F100 HydrophobicContact CG1-CD1 4.04Å; V30-F100 HydrophobicContact CG2-CB 4.19Å; V30-F100 HydrophobicContact CG2-CD1 4.33Å
31I98.5Very high89.2Confident2 Ų247.7 Ų47.71%0.0126%0.255CS..EExtended strand (participates in β ladder)trans-96.6112.3178.3-54.6176.9000109.1V29 L33 I58 L89 V99 F100 F101 H102V29-I31 HydrophobicContact CG1-CG1 4.39Å; I31-L33 HydrophobicContact CG2-CD2 3.7Å; I31-L33 HydrophobicContact CG2-CG 4.27Å; I31-I58 CarbonylContact C-O 3.51Å; I31-I58 WeakPolarHBondContact CA-O 3.38Å; I31-I58 HydrophobicContact CG1-CB 4.37Å; I31-I58 HydrophobicContact CG1-CD1 4.43Å; I31-L89 HydrophobicContact CD1-CD1 4.43Å; I31-L89 HydrophobicContact CD1-CD2 4.33Å; I31-V99 HydrophobicContact CD1-CG1 3.96Å; I31-V99 HydrophobicContact CG1-CG1 4.44Å; I31-F100 PolarHBondContact N-O 3.5Å; I31-F101 HydrophobicContact CB-CD1 3.84Å; I31-F101 HydrophobicContact CB-CE1 3.95Å; I31-F101 HydrophobicContact CD1-CD1 4.48Å; I31-F101 HydrophobicContact CD1-CE1 3.74Å; I31-F101 HydrophobicContact CD1-CZ 4.24Å; I31-F101 HydrophobicContact CG1-CE1 4.33Å; I31-F101 HydrophobicContact CG2-CD1 4.29Å; I31-F101 HydrophobicContact CG2-CE1 4.27Å; I31-F101 WeakPolarHBondContact O-CA 3.43Å; I31-H102 PolarHBondContact O-N 2.9Å
32L98.6Very high89.7Confident0 Ų047.2 Ų47.20%025%0.253CS..EExtended strand (participates in β ladder)trans-95.3116.2177.2-65.789.3000110.4V30 T57 I58 R59 Y60 H102 F104V30-L32 HydrophobicContact CG1-CD1 3.95Å; L32-T57 HydrophobicContact CD1-CG2 4.02Å; L32-I58 PolarHBondContact N-O 3.16Å; L32-R59 HydrophobicContact CB-CG 4.12Å; L32-R59 HydrophobicContact CD1-CG 4.09Å; L32-R59 HydrophobicContact CG-CG 4.48Å; L32-Y60 PolarHBondContact O-N 2.82Å; L32-H102 CarbonylContact C-O 3.6Å; L32-H102 VanDerWaalsContact CA-O 3.3Å; L32-H102 WeakPolarHBondContact CA-O 3.25Å; L32-H102 HydrophobicContact CG-CB 4.14Å; L32-F104 HydrophobicContact CB-CE2 4.32Å; L32-F104 HydrophobicContact CD2-CE2 4.17Å; L32-F104 HydrophobicContact CD2-CZ 4.47Å
33L97.9Very high90.2Very high1 Ų145.8 Ų45.81%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-105.6102.6-178.6-56179.2000110.3I31 L85 F101 H102 V103 F104 L111 Y112 I115I31-L33 HydrophobicContact CG2-CD2 3.7Å; I31-L33 HydrophobicContact CG2-CG 4.27Å; L33-L85 HydrophobicContact CD2-CD1 4.1Å; L33-F101 HydrophobicContact CD1-CD1 4.49Å; L33-H102 PolarHBondContact N-O 3.37Å; L33-V103 HydrophobicContact CB-CG1 4.47Å; L33-V103 HydrophobicContact CD1-CG2 4.21Å; L33-F104 WeakPolarHBondContact O-CD2 3.36Å; L33-F104 PolarHBondContact O-N 2.72Å; L33-L111 HydrophobicContact CD2-CD2 4.07Å; L33-Y112 HydrophobicContact CD1-CD2 4.21Å; L33-I115 HydrophobicContact CD1-CD1 3.81Å; L33-I115 HydrophobicContact CD2-CD1 4.28Å
34G95.6Very high91.1Very high2 Ų239.9 Ų39.92%0.02123%0.225CC..PPolyproline II helixtrans-69.2159.1-173.600000115.2Y60 G108G34-Y60 PolarHBondContact N-O 3.32Å; G34-G108 WeakPolarHBondContact O-CA 3.43Å; G34-G108 PolarHBondContact O-N 3Å
35W92Very high92.4Very high52 Ų5242.2 Ų42.220%0.19721%0.21CC..PPolyproline II helixtrans-79.1168.6175.766.294.8000112.3G37 C38 H42 L43 Y46 T61 F104 V247W35-G37 PolarHBondContact O-N 3.45Å; W35-C38 HydrophobicContact CD2-CB 3.54Å; W35-C38 HydrophobicContact CE3-CB 3.92Å; W35-C38 HydrophobicContact CG-CB 3.92Å; W35-C38 HydrophobicContact CH2-CB 4.4Å; W35-C38 WeakPolarHBondContact CH2-SG 3.41Å; W35-C38 HydrophobicContact CZ2-CB 4.01Å; W35-C38 WeakPolarHBondContact CZ2-SG 3.49Å; W35-C38 HydrophobicContact CZ3-CB 4.34Å; W35-C38 WeakPolarHBondContact CZ3-SG 3.26Å; W35-C38 WeakPolarHBondContact O-CB 3.23Å; W35-C38 PolarHBondContact O-N 2.98Å; W35-H42 HydrophobicContact CH2-CB 3.69Å; W35-H42 HydrophobicContact CZ2-CB 4.07Å; W35-H42 AromaticContact CZ2-ND1 3.93Å; W35-L43 HydrophobicContact CE3-CD2 4.41Å; W35-L43 HydrophobicContact CZ3-CD2 3.96Å; W35-Y46 HydrophobicContact CH2-CE2 4.42Å; W35-Y46 HydrophobicContact CZ3-CE2 4.44Å; W35-T61 VanDerWaalsContact O-CG2 3.31Å; W35-T61 WeakPolarHBondContact O-CG2 3.34Å; W35-F104 HydrophobicContact CB-CB 4.35Å; W35-F104 HydrophobicContact CE3-CB 3.73Å; W35-F104 HydrophobicContact CE3-CD1 4.36Å; W35-F104 HydrophobicContact CE3-CG 4.02Å; W35-F104 HydrophobicContact CZ3-CB 4.49Å; W35-F104 HydrophobicContact CZ3-CD1 4.35Å; W35-F104 HydrophobicContact CZ3-CG 4.31Å; W35-V247 HydrophobicContact CD2-CG1 4.09Å; W35-V247 HydrophobicContact CE3-CG1 3.68Å; W35-V247 HydrophobicContact CH2-CG1 3.98Å; W35-V247 HydrophobicContact CZ2-CG1 4.41Å; W35-V247 HydrophobicContact CZ3-CG1 3.61Å
36A85.1Confident93.3Very high14 Ų1440 Ų4012%0.11620%0.195CC..THydrogen-bonded Turntrans-58.5125.1179.100000111.9C38 V67 F68A36-C38 PolarHBondContact O-N 3.41Å; A36-V67 HydrophobicContact CB-CG1 4.15Å; A36-F68 HydrophobicContact CB-CE2 3.73Å; A36-F68 HydrophobicContact CB-CZ 4Å
37G82.9Confident93.9Very high30 Ų3035.1 Ų35.131%0.30917%0.174SC..THydrogen-bonded Turntrans759-178.400000114.9W35W35-G37 PolarHBondContact O-N 3.45Å
38C86.2Confident94.2Very high12 Ų1234.9 Ų34.98%0.08118%0.177CC..  trans-63.1150.1169.4-168.30000111W35 A36 T61W35-C38 HydrophobicContact CD2-CB 3.54Å; W35-C38 HydrophobicContact CE3-CB 3.92Å; W35-C38 HydrophobicContact CG-CB 3.92Å; W35-C38 HydrophobicContact CH2-CB 4.4Å; W35-C38 WeakPolarHBondContact CH2-SG 3.41Å; W35-C38 HydrophobicContact CZ2-CB 4.01Å; W35-C38 WeakPolarHBondContact CZ2-SG 3.49Å; W35-C38 HydrophobicContact CZ3-CB 4.34Å; W35-C38 WeakPolarHBondContact CZ3-SG 3.26Å; W35-C38 WeakPolarHBondContact O-CB 3.23Å; W35-C38 PolarHBondContact O-N 2.98Å; A36-C38 PolarHBondContact O-N 3.41Å; C38-T61 HydrophobicContact CB-CG2 3.85Å
39K90.2Very high94.3Very high132 Ų13235.1 Ų35.157%0.57418%0.179SC*.  trans-115.1150.5172.8-64.8-173.6177.7-171.10107.9K41 H42K39-K41 HydrophobicContact CB-CG 4.09Å; K39-K41 PolarHBondContact O-N 2.91Å; K39-K41 VanDerWaalsContact O-N 3.1Å; K39-H42 PolarHBondContact N-ND1 3.27Å; K39-H42 WeakPolarHBondContact O-CB 3.35Å; K39-H42 PolarHBondContact O-N 2.95Å
40D93.2Very high94.3Very high49 Ų4935.1 Ų35.126%0.26218%0.179SC..Hα-helixtrans-51.8-39.4-179.6-179.763.2000113N9 H42 L43 S44 R59N9-D40 PolarHBondContact ND2-OD1 2.91Å; D40-H42 PolarHBondContact O-N 3.37Å; D40-H42 VanDerWaalsContact O-N 3.08Å; D40-L43 CarbonylContact O-C 3.59Å; D40-L43 PolarHBondContact O-N 3.39Å; D40-S44 PolarHBondContact O-N 2.99Å; D40-R59 PolarHBondContact O-NH1 2.97Å; D40-R59 IonicContact OD1-CZ 3.03Å; D40-R59 IonicContact OD1-NE 3.45Å; D40-R59 PolarHBondContact OD1-NE 2.71Å; D40-R59 IonicContact OD1-NH1 2.78Å; D40-R59 PolarHBondContact OD1-NH1 3.42Å; D40-R59 IonicContact OD1-NH2 3.56Å; D40-R59 IonicContact OD2-CZ 3.3Å; D40-R59 VanDerWaalsContact OD2-CZ 3.3Å; D40-R59 IonicContact OD2-NH1 2.69Å; D40-R59 PolarHBondContact OD2-NH1 2.86Å; D40-R59 IonicContact OD2-NH2 3.32Å; D40-R59 PolarHBondContact OD2-NH2 2.77Å
41K93.4Very high94.1Very high131 Ų13136.7 Ų36.757%0.5719%0.187SC*.Hα-helixtrans-54.4-30.6175.273.3175.4-1741730114K39 S44K39-K41 HydrophobicContact CB-CG 4.09Å; K39-K41 PolarHBondContact O-N 2.91Å; K39-K41 VanDerWaalsContact O-N 3.1Å; K41-S44 PolarHBondContact O-OG 3.05Å
42H93.4Very high93.9Very high67 Ų6741.6 Ų41.631%0.3121%0.213SC..Hα-helixtrans-74.1-48.8176-52.4145.7000109.8W35 K39 D40 S44 K45 Y46W35-H42 HydrophobicContact CH2-CB 3.69Å; W35-H42 HydrophobicContact CZ2-CB 4.07Å; W35-H42 AromaticContact CZ2-ND1 3.93Å; K39-H42 PolarHBondContact N-ND1 3.27Å; K39-H42 WeakPolarHBondContact O-CB 3.35Å; K39-H42 PolarHBondContact O-N 2.95Å; D40-H42 PolarHBondContact O-N 3.37Å; D40-H42 VanDerWaalsContact O-N 3.08Å; H42-S44 PolarHBondContact O-N 3.39Å; H42-K45 PolarHBondContact O-N 2.97Å; H42-Y46 VanDerWaalsContact O-CD2 3.27Å; H42-Y46 WeakPolarHBondContact O-CD2 3.3Å
43L96.1Very high93.6Very high1 Ų143.7 Ų43.71%0.00522%0.222CC..Hα-helixtrans-62-30.2177.2-64-175.3000112.9W35 D40 K45 Y46 S47 R59 F104W35-L43 HydrophobicContact CE3-CD2 4.41Å; W35-L43 HydrophobicContact CZ3-CD2 3.96Å; D40-L43 CarbonylContact O-C 3.59Å; D40-L43 PolarHBondContact O-N 3.39Å; L43-K45 PolarHBondContact O-N 3.41Å; L43-K45 VanDerWaalsContact O-N 3.16Å; L43-Y46 PolarHBondContact O-N 3.43Å; L43-S47 PolarHBondContact O-N 3.29Å; L43-S47 PolarHBondContact O-OG 3.41Å; L43-R59 HydrophobicContact CB-CB 4.3Å; L43-R59 HydrophobicContact CB-CG 4.12Å; L43-R59 HydrophobicContact CD1-CB 4.12Å; L43-F104 HydrophobicContact CD2-CD2 3.87Å; L43-F104 HydrophobicContact CD2-CE2 3.84Å
44S96.4Very high93.4Very high43 Ų4343.6 Ų43.630%0.30122%0.222SC..Hα-helixtrans-53.1-36.7177.277.70000113D40 K41 H42 S47 S48D40-S44 PolarHBondContact O-N 2.99Å; K41-S44 PolarHBondContact O-OG 3.05Å; H42-S44 PolarHBondContact O-N 3.39Å; S44-S47 WeakPolarHBondContact CA-OG 3.26Å; S44-S47 PolarHBondContact O-OG 3.37Å; S44-S48 PolarHBondContact O-N 3.49Å; S44-S48 VanDerWaalsContact O-N 3.12Å
45K95.5Very high93.4Very high135 Ų13543.5 Ų43.559%0.58722%0.221SC*.Hα-helixtrans-69.7-39.2179.1-60.4-174.7177.2-173.40111H42 L43 S48 F250H42-K45 PolarHBondContact O-N 2.97Å; L43-K45 PolarHBondContact O-N 3.41Å; L43-K45 VanDerWaalsContact O-N 3.16Å; K45-S48 PolarHBondContact O-OG 3.09Å; K45-F250 HydrophobicContact CB-CE1 4Å; K45-F250 WeakPolarHBondContact O-CE1 3.38Å
46Y97.7Very high93.7Very high18 Ų1841 Ų417%0.07121%0.212CC..Hα-helixtrans-74.7-38.4178.3-63-98.4000111.4W35 H42 L43 S48 I49 F104 V247 F250 Y257W35-Y46 HydrophobicContact CH2-CE2 4.42Å; W35-Y46 HydrophobicContact CZ3-CE2 4.44Å; H42-Y46 VanDerWaalsContact O-CD2 3.27Å; H42-Y46 WeakPolarHBondContact O-CD2 3.3Å; L43-Y46 PolarHBondContact O-N 3.43Å; Y46-S48 PolarHBondContact O-N 3.25Å; Y46-I49 WeakPolarHBondContact O-CB 3.4Å; Y46-I49 WeakPolarHBondContact O-CG1 3.48Å; Y46-I49 PolarHBondContact O-N 3.33Å; Y46-F104 AromaticContact CD1-CE1 3.45Å; Y46-F104 HydrophobicContact CD1-CE1 3.45Å; Y46-F104 VanDerWaalsContact CD1-CE1 3.45Å; Y46-F104 AromaticContact CD1-CZ 3.54Å; Y46-F104 HydrophobicContact CD1-CZ 3.54Å; Y46-F104 HydrophobicContact CD2-CE1 4.46Å; Y46-F104 HydrophobicContact CD2-CZ 4.31Å; Y46-F104 AromaticContact CE1-CE1 3.57Å; Y46-F104 HydrophobicContact CE1-CE1 3.57Å; Y46-F104 HydrophobicContact CE1-CZ 4.15Å; Y46-F104 AromaticContact CG-CE1 3.93Å; Y46-F104 HydrophobicContact CG-CE1 3.93Å; Y46-F104 AromaticContact CG-CZ 3.63Å; Y46-F104 HydrophobicContact CG-CZ 3.63Å; Y46-V247 PolarHBondContact OH-O 3.45Å; Y46-F250 HydrophobicContact CD1-CB 4.13Å; Y46-F250 AromaticContact CD1-CD1 3.87Å; Y46-F250 HydrophobicContact CD1-CD1 3.87Å; Y46-F250 HydrophobicContact CD1-CG 4.29Å; Y46-F250 HydrophobicContact CD2-CD1 4.42Å; Y46-F250 HydrophobicContact CE1-CB 3.45Å; Y46-F250 VanDerWaalsContact CE1-CB 3.45Å; Y46-F250 AromaticContact CE1-CD1 3.81Å; Y46-F250 HydrophobicContact CE1-CD1 3.81Å; Y46-F250 HydrophobicContact CE1-CG 4.03Å; Y46-F250 HydrophobicContact CE2-CD1 4.33Å; Y46-F250 HydrophobicContact CG-CD1 4.19Å; Y46-Y257 AromaticContact CD1-CE1 3.91Å; Y46-Y257 HydrophobicContact CD1-CE1 3.91Å; Y46-Y257 HydrophobicContact CE1-CE1 4.13Å; Y46-Y257 AromaticContact CE1-CZ 3.94Å; Y46-Y257 WeakPolarHBondContact CE1-OH 3.39Å
47S97.2Very high94.3Very high2 Ų240.4 Ų40.41%0.01421%0.206CC..Hα-helixtrans-65.3-30177630000112.2L43 S44 I49 Y50 N51 R59L43-S47 PolarHBondContact O-N 3.29Å; L43-S47 PolarHBondContact O-OG 3.41Å; S44-S47 WeakPolarHBondContact CA-OG 3.26Å; S44-S47 PolarHBondContact O-OG 3.37Å; S47-I49 PolarHBondContact O-N 3.15Å; S47-I49 VanDerWaalsContact O-N 3.17Å; S47-Y50 PolarHBondContact O-N 3.3Å; S47-N51 PolarHBondContact O-N 2.64Å; S47-R59 WeakPolarHBondContact OG-CD 3.36Å
48S96.5Very high95Very high42 Ų4239 Ų3929%0.29419%0.191SC..Hα-helixtrans-55.4-33.3176.274.40000113.1S44 K45 Y46 Y50 N51 D52S44-S48 PolarHBondContact O-N 3.49Å; S44-S48 VanDerWaalsContact O-N 3.12Å; K45-S48 PolarHBondContact O-OG 3.09Å; Y46-S48 PolarHBondContact O-N 3.25Å; S48-Y50 PolarHBondContact O-N 2.9Å; S48-Y50 VanDerWaalsContact O-N 3.13Å; S48-N51 PolarHBondContact O-N 3.42Å; S48-D52 WeakPolarHBondContact O-CB 3.17Å; S48-D52 PolarHBondContact O-N 3.12Å
49I97.1Very high95.6Very high5 Ų539.3 Ų39.33%0.02619%0.191CC..Hα-helixtrans-55-35.7176-62170.5000111.8Y46 S47 F250 Y257 T258 C261 R262Y46-I49 WeakPolarHBondContact O-CB 3.4Å; Y46-I49 WeakPolarHBondContact O-CG1 3.48Å; Y46-I49 PolarHBondContact O-N 3.33Å; S47-I49 PolarHBondContact O-N 3.15Å; S47-I49 VanDerWaalsContact O-N 3.17Å; I49-F250 HydrophobicContact CD1-CD2 4.36Å; I49-F250 HydrophobicContact CD1-CE1 4.35Å; I49-F250 HydrophobicContact CD1-CE2 4.13Å; I49-F250 HydrophobicContact CD1-CZ 4.12Å; I49-F250 HydrophobicContact CG1-CZ 4.29Å; I49-Y257 HydrophobicContact CD1-CD1 3.96Å; I49-Y257 HydrophobicContact CD1-CE1 3.96Å; I49-T258 HydrophobicContact CG1-CG2 4.3Å; I49-T258 HydrophobicContact CG2-CG2 4.06Å; I49-C261 HydrophobicContact CG2-CB 4.25Å; I49-R262 HydrophobicContact CG2-CG 3.84Å
50Y97.6Very high95.9Very high0 Ų033.6 Ų33.60%017%0.166CC..Hα-helixtrans-95.7-36-177.4-55.1-69.1000112.3V30 S47 S48 D52 K53 G54 C55 F100 H102 L265V30-Y50 HydrophobicContact CB-CD2 4.3Å; V30-Y50 HydrophobicContact CB-CG 4.18Å; V30-Y50 HydrophobicContact CG1-CD1 4.3Å; V30-Y50 HydrophobicContact CG1-CD2 3.67Å; V30-Y50 HydrophobicContact CG1-CE1 4.38Å; V30-Y50 HydrophobicContact CG1-CE2 3.77Å; V30-Y50 HydrophobicContact CG1-CG 3.93Å; V30-Y50 HydrophobicContact CG2-CD1 3.93Å; V30-Y50 HydrophobicContact CG2-CD2 4.46Å; V30-Y50 HydrophobicContact CG2-CG 3.87Å; S47-Y50 PolarHBondContact O-N 3.3Å; S48-Y50 PolarHBondContact O-N 2.9Å; S48-Y50 VanDerWaalsContact O-N 3.13Å; Y50-D52 VanDerWaalsContact C-N 3.26Å; Y50-D52 PolarHBondContact O-N 2.95Å; Y50-K53 CarbonylContact O-C 3.56Å; Y50-K53 VanDerWaalsContact O-CA 3.31Å; Y50-K53 WeakPolarHBondContact O-CA 3.4Å; Y50-K53 WeakPolarHBondContact O-CB 3.42Å; Y50-K53 PolarHBondContact O-N 2.96Å; Y50-G54 PolarHBondContact O-N 2.77Å; Y50-C55 WeakPolarHBondContact O-CB 3.32Å; Y50-C55 PolarHBondContact O-N 3.17Å; Y50-C55 VanDerWaalsContact O-N 3.09Å; Y50-F100 HydrophobicContact CE1-CD1 4.48Å; Y50-F100 HydrophobicContact CE1-CE1 4.14Å; Y50-H102 HydrophobicContact CE2-CB 4.32Å; Y50-H102 AromaticContact CE2-ND1 3.51Å; Y50-H102 AromaticContact CZ-ND1 3.62Å; Y50-H102 PolarHBondContact OH-ND1 2.98Å; Y50-L265 HydrophobicContact CD1-CD2 3.89Å; Y50-L265 HydrophobicContact CE1-CD2 4.27Å
51N95.6Very high95.9Very high33 Ų3333 Ų3318%0.17616%0.164CC..Hα-helixtrans-60.3-39.8174.2-66.4-17.1000110.8S47 S48 K53 G54 C55 T57S47-N51 PolarHBondContact O-N 2.64Å; S48-N51 PolarHBondContact O-N 3.42Å; N51-K53 PolarHBondContact O-N 3.32Å; N51-G54 PolarHBondContact O-N 3.23Å; N51-C55 PolarHBondContact OD1-O 3.17Å; N51-T57 PolarHBondContact ND2-OG1 3.26Å; N51-T57 WeakPolarHBondContact OD1-CB 3.32Å; N51-T57 WeakPolarHBondContact OD1-CG2 3.5Å; N51-T57 PolarHBondContact OD1-OG1 3.36Å
52D93.3Very high95.7Very high105 Ų10527 Ų2756%0.56114%0.139SC*.THydrogen-bonded Turntrans-64.2-5.7173.3-67.6-5.7000113.2H21 S48 Y50H21-D52 PolarHBondContact NE2-O 3.39Å; S48-D52 WeakPolarHBondContact O-CB 3.17Å; S48-D52 PolarHBondContact O-N 3.12Å; Y50-D52 VanDerWaalsContact C-N 3.26Å; Y50-D52 PolarHBondContact O-N 2.95Å
53K92.6Very high95.2Very high43 Ų4326.6 Ų26.619%0.18714%0.142CC..THydrogen-bonded Turntrans-112.213.1172.8-64.6-60.5170.5-152.30114H21 W22 Y50 N51 C55 R262H21-K53 WeakPolarHBondContact CB-O 3.39Å; W22-K53 VanDerWaalsContact CE2-O 3.32Å; W22-K53 WeakPolarHBondContact CZ2-O 3.33Å; W22-K53 PolarHBondContact NE1-O 3.45Å; Y50-K53 CarbonylContact O-C 3.56Å; Y50-K53 VanDerWaalsContact O-CA 3.31Å; Y50-K53 WeakPolarHBondContact O-CA 3.4Å; Y50-K53 WeakPolarHBondContact O-CB 3.42Å; Y50-K53 PolarHBondContact O-N 2.96Å; N51-K53 PolarHBondContact O-N 3.32Å; K53-C55 PolarHBondContact O-N 2.65Å; K53-R262 HydrophobicContact CG-CG 4.45Å
54G94.1Very high94.2Very high0 Ų029.8 Ų29.80%016%0.159CC..THydrogen-bonded Turntrans68.22317900000112.4P13 W22 Y50 N51P13-G54 WeakPolarHBondContact CG-O 3.13Å; W22-G54 VanDerWaalsContact CD1-O 3.32Å; W22-G54 VanDerWaalsContact NE1-C 3.31Å; W22-G54 PolarHBondContact NE1-O 3.06Å; Y50-G54 PolarHBondContact O-N 2.77Å; N51-G54 PolarHBondContact O-N 3.23Å
55C96.4Very high93Very high0 Ų033.9 Ų33.90%017%0.171CC..  trans-83.4145.5172-60.10000109.9P28 V30 Y50 N51 K53P28-C55 CarbonylContact O-C 3.5Å; P28-C55 VanDerWaalsContact O-CA 3.31Å; P28-C55 WeakPolarHBondContact O-CA 3.23Å; P28-C55 WeakPolarHBondContact O-CB 3.48Å; V30-C55 HydrophobicContact CG2-CB 3.88Å; Y50-C55 WeakPolarHBondContact O-CB 3.32Å; Y50-C55 PolarHBondContact O-N 3.17Å; Y50-C55 VanDerWaalsContact O-N 3.09Å; N51-C55 PolarHBondContact OD1-O 3.17Å; K53-C55 PolarHBondContact O-N 2.65Å
56V97.2Very high91.8Very high0 Ų027.7 Ų27.70%015%0.145CC..EExtended strand (participates in β ladder)trans-71.7137.3162.1179.30000107.6I10 V11 F12 E27 P28 V29 V30I10-V56 HydrophobicContact CD1-CG1 4.14Å; I10-V56 HydrophobicContact CG1-CG1 4.06Å; V11-V56 WeakPolarHBondContact O-CA 3.3Å; F12-V56 HydrophobicContact CD1-CG1 4.05Å; F12-V56 HydrophobicContact CD1-CG2 3.7Å; F12-V56 HydrophobicContact CE1-CG1 4.01Å; F12-V56 HydrophobicContact CE1-CG2 4.09Å; E27-V56 HydrophobicContact CG-CG2 4.01Å; P28-V56 PolarHBondContact O-N 3.35Å; V29-V56 CarbonylContact C-O 3.59Å; V29-V56 WeakPolarHBondContact CA-O 3.32Å; V29-V56 HydrophobicContact CG1-CB 4.48Å; V29-V56 HydrophobicContact CG1-CG1 4.37Å; V29-V56 HydrophobicContact CG2-CB 4.17Å; V30-V56 PolarHBondContact N-O 3.09Å
57T98Very high90.2Very high0 Ų027 Ų270%014%0.143CC..EExtended strand (participates in β ladder)trans-121.1131.6175.8530000111.8I10 V11 V30 L32 N51I10-T57 CarbonylContact C-O 3.41Å; I10-T57 VanDerWaalsContact CA-O 3.3Å; I10-T57 WeakPolarHBondContact CA-O 3.25Å; V11-T57 PolarHBondContact N-O 3.11Å; V11-T57 PolarHBondContact O-N 3.13Å; V30-T57 HydrophobicContact CB-CG2 4.12Å; V30-T57 CarbonylContact O-C 3.55Å; V30-T57 VanDerWaalsContact O-CA 3.32Å; V30-T57 WeakPolarHBondContact O-CA 3.42Å; L32-T57 HydrophobicContact CD1-CG2 4.02Å; N51-T57 PolarHBondContact ND2-OG1 3.26Å; N51-T57 WeakPolarHBondContact OD1-CB 3.32Å; N51-T57 WeakPolarHBondContact OD1-CG2 3.5Å; N51-T57 PolarHBondContact OD1-OG1 3.36Å
58I98.1Very high88.6Confident0 Ų029.2 Ų29.20%015%0.152CC..EExtended strand (participates in β ladder)trans-111.7122.7170.7-60.8170.5000107.1N9 I10 V29 V30 I31 L32 I88 L89N9-I58 CarbonylContact O-C 3.6Å; I10-I58 HydrophobicContact CB-CG1 4.42Å; I10-I58 HydrophobicContact CD1-CD1 4.34Å; I10-I58 HydrophobicContact CD1-CG1 3.97Å; I10-I58 HydrophobicContact CG1-CG1 3.98Å; V29-I58 HydrophobicContact CG1-CD1 3.79Å; V29-I58 HydrophobicContact CG1-CG1 4.18Å; V30-I58 PolarHBondContact O-N 3.5Å; I31-I58 CarbonylContact C-O 3.51Å; I31-I58 WeakPolarHBondContact CA-O 3.38Å; I31-I58 HydrophobicContact CG1-CB 4.37Å; I31-I58 HydrophobicContact CG1-CD1 4.43Å; L32-I58 PolarHBondContact N-O 3.16Å; I58-I88 HydrophobicContact CD1-CG2 3.87Å; I58-L89 HydrophobicContact CD1-CD2 3.86Å
59R97.8Very high86.9Confident20 Ų2031.5 Ų31.58%0.07516%0.16CC..EExtended strand (participates in β ladder)trans-113.9127-179.9-66.3176.2-75.31496109.5N9 L32 D40 L43 S47N9-R59 HydrophobicContact CB-CB 4.36Å; N9-R59 PolarHBondContact N-O 3.27Å; N9-R59 PolarHBondContact O-N 2.91Å; L32-R59 HydrophobicContact CB-CG 4.12Å; L32-R59 HydrophobicContact CD1-CG 4.09Å; L32-R59 HydrophobicContact CG-CG 4.48Å; D40-R59 PolarHBondContact O-NH1 2.97Å; D40-R59 IonicContact OD1-CZ 3.03Å; D40-R59 IonicContact OD1-NE 3.45Å; D40-R59 PolarHBondContact OD1-NE 2.71Å; D40-R59 IonicContact OD1-NH1 2.78Å; D40-R59 PolarHBondContact OD1-NH1 3.42Å; D40-R59 IonicContact OD1-NH2 3.56Å; D40-R59 IonicContact OD2-CZ 3.3Å; D40-R59 VanDerWaalsContact OD2-CZ 3.3Å; D40-R59 IonicContact OD2-NH1 2.69Å; D40-R59 PolarHBondContact OD2-NH1 2.86Å; D40-R59 IonicContact OD2-NH2 3.32Å; D40-R59 PolarHBondContact OD2-NH2 2.77Å; L43-R59 HydrophobicContact CB-CB 4.3Å; L43-R59 HydrophobicContact CB-CG 4.12Å; L43-R59 HydrophobicContact CD1-CB 4.12Å; S47-R59 WeakPolarHBondContact OG-CD 3.36Å
60Y96.4Very high85.1Confident12 Ų1231.4 Ų31.45%0.04716%0.16CC..EExtended strand (participates in β ladder)trans-141.5141178.9-177.1-99.9000111.5I6 D7 L32 G34 A62 T81 L85 L111I6-Y60 HydrophobicContact CB-CE2 3.93Å; I6-Y60 HydrophobicContact CD1-CE2 4.31Å; D7-Y60 WeakPolarHBondContact O-CD2 3.36Å; L32-Y60 PolarHBondContact O-N 2.82Å; G34-Y60 PolarHBondContact N-O 3.32Å; Y60-A62 HydrophobicContact CE1-CB 4.11Å; Y60-T81 HydrophobicContact CD1-CG2 4.43Å; Y60-T81 HydrophobicContact CE1-CG2 3.43Å; Y60-T81 VanDerWaalsContact CE1-CG2 3.43Å; Y60-T81 VanDerWaalsContact OH-CG2 3.25Å; Y60-T81 WeakPolarHBondContact OH-CG2 3.25Å; Y60-L85 HydrophobicContact CD1-CD1 3.69Å; Y60-L85 HydrophobicContact CD1-CD2 4.36Å; Y60-L85 HydrophobicContact CD1-CG 4.47Å; Y60-L85 HydrophobicContact CD2-CD2 4.16Å; Y60-L85 HydrophobicContact CE1-CD1 4.24Å; Y60-L85 HydrophobicContact CG-CD1 4.01Å; Y60-L85 HydrophobicContact CG-CD2 3.85Å; Y60-L85 HydrophobicContact CG-CG 4.43Å; Y60-L111 HydrophobicContact CD1-CD2 3.56Å; Y60-L111 HydrophobicContact CE1-CD2 3.64Å
61T93.5Very high83.6Confident35 Ų3531.5 Ų31.522%0.21516%0.16CC..  trans-126.5119.3172.5-60.10000109.4W35 C38W35-T61 VanDerWaalsContact O-CG2 3.31Å; W35-T61 WeakPolarHBondContact O-CG2 3.34Å; C38-T61 HydrophobicContact CB-CG2 3.85Å
62A88.5Confident81.8Confident6 Ų630.9 Ų30.95%0.0516%0.158CC..  trans-65.2141.2177.900000111.4Y60 V67 L78 L111Y60-A62 HydrophobicContact CE1-CB 4.11Å; A62-V67 HydrophobicContact CB-CG2 3.82Å; A62-L78 HydrophobicContact CB-CD2 4.4Å; A62-L111 HydrophobicContact CB-CD2 4.43Å
63P84.2Confident80.2Confident58 Ų5830.7 Ų30.738%0.37715%0.152SC..  trans-56.4143.8175.3-26.334.7000112.7K65 T66 V67P63-K65 VanDerWaalsContact C-N 3.3Å; P63-K65 HydrophobicContact CB-CG 4.21Å; P63-K65 PolarHBondContact O-N 2.69Å; P63-T66 WeakPolarHBondContact O-CB 3.39Å; P63-T66 PolarHBondContact O-N 2.78Å; P63-V67 PolarHBondContact O-N 3.24Å
64L74.8Confident78.6Confident68 Ų6829.6 Ų29.636%0.35615%0.153SC..Hα-helixtrans-53.8-43.6-178.9-97.6104000113.7T66 V67 F68 T154L64-T66 PolarHBondContact O-N 2.87Å; L64-V67 PolarHBondContact O-N 3.33Å; L64-F68 HydrophobicContact CB-CD2 4.41Å; L64-F68 HydrophobicContact CD2-CD2 3.99Å; L64-F68 HydrophobicContact CD2-CE2 3.69Å; L64-F68 HydrophobicContact CG-CD2 4.35Å; L64-F68 HydrophobicContact CG-CE2 4.2Å; L64-F68 WeakPolarHBondContact O-CD2 3.45Å; L64-F68 PolarHBondContact O-N 2.97Å; L64-T154 HydrophobicContact CD1-CG2 3.94Å; L64-T154 HydrophobicContact CD2-CG2 3.43Å; L64-T154 VanDerWaalsContact CD2-CG2 3.43Å; L64-T154 HydrophobicContact CG-CG2 4.19Å
65K70.6Confident77.3Confident130 Ų13035.2 Ų35.257%0.56518%0.175SC*.Hα-helixtrans-53.9-40.3178.665.7176.1-175.1167.80110.9P63 I69P63-K65 VanDerWaalsContact C-N 3.3Å; P63-K65 HydrophobicContact CB-CG 4.21Å; P63-K65 PolarHBondContact O-N 2.69Å; K65-I69 WeakPolarHBondContact O-CB 3.49Å; K65-I69 WeakPolarHBondContact O-CG1 3.17Å; K65-I69 PolarHBondContact O-N 3.45Å
66T69.8Low76.2Confident5 Ų543.8 Ų43.83%0.03121%0.213CC..Iπ-helixtrans-75.7-39.3-174.5-55.50000110.7P63 L64 S70 E77 L78P63-T66 WeakPolarHBondContact O-CB 3.39Å; P63-T66 PolarHBondContact O-N 2.78Å; L64-T66 PolarHBondContact O-N 2.87Å; T66-S70 WeakPolarHBondContact O-CB 3.17Å; T66-S70 PolarHBondContact O-N 2.79Å; T66-E77 HydrophobicContact CG2-CB 3.88Å; T66-E77 PolarHBondContact OG1-OE2 2.9Å; T66-L78 HydrophobicContact CG2-CB 4.45Å; T66-L78 HydrophobicContact CG2-CD1 4.47Å; T66-L78 HydrophobicContact CG2-CD2 3.44Å; T66-L78 VanDerWaalsContact CG2-CD2 3.44Å; T66-L78 HydrophobicContact CG2-CG 3.47Å; T66-L78 VanDerWaalsContact CG2-CG 3.47Å
67V64.6Low75.6Confident4 Ų447.5 Ų47.52%0.02423%0.23CC..Iπ-helixtrans-69.6-41.5176.2176.20000112.5A36 A62 P63 L64 M110A36-V67 HydrophobicContact CB-CG1 4.15Å; A62-V67 HydrophobicContact CB-CG2 3.82Å; P63-V67 PolarHBondContact O-N 3.24Å; L64-V67 PolarHBondContact O-N 3.33Å; V67-M110 HydrophobicContact CG1-CE 4.25Å; V67-M110 HydrophobicContact CG1-SD 3.72Å
68F63.7Low75Confident47 Ų4747.5 Ų47.521%0.20623%0.23CC..Iπ-helixtrans-88.9-21.9-172.9-74.6-68.1000114.8A36 L64 F171A36-F68 HydrophobicContact CB-CE2 3.73Å; A36-F68 HydrophobicContact CB-CZ 4Å; L64-F68 HydrophobicContact CB-CD2 4.41Å; L64-F68 HydrophobicContact CD2-CD2 3.99Å; L64-F68 HydrophobicContact CD2-CE2 3.69Å; L64-F68 HydrophobicContact CG-CD2 4.35Å; L64-F68 HydrophobicContact CG-CE2 4.2Å; L64-F68 WeakPolarHBondContact O-CD2 3.45Å; L64-F68 PolarHBondContact O-N 2.97Å; F68-F171 HydrophobicContact CB-CE2 4.23Å; F68-F171 AromaticContact CD1-CE2 3.39Å; F68-F171 HydrophobicContact CD1-CE2 3.39Å; F68-F171 AromaticContact CD1-CZ 3.35Å; F68-F171 HydrophobicContact CD1-CZ 3.35Å; F68-F171 HydrophobicContact CE1-CE1 4.43Å; F68-F171 AromaticContact CE1-CE2 3.93Å; F68-F171 HydrophobicContact CE1-CE2 3.93Å; F68-F171 AromaticContact CE1-CZ 3.46Å; F68-F171 HydrophobicContact CE1-CZ 3.46Å; F68-F171 VanDerWaalsContact CE1-CZ 3.46Å; F68-F171 AromaticContact CG-CE2 3.99Å; F68-F171 HydrophobicContact CG-CE2 3.99Å; F68-F171 HydrophobicContact CG-CZ 4.35Å
69I61.4Low74.6Confident90 Ų9049.5 Ų49.546%0.46224%0.244SC..Iπ-helixtrans-114.2-47.4-175.3-53.5173000110.8K65 E71 T72 Y75K65-I69 WeakPolarHBondContact O-CB 3.49Å; K65-I69 WeakPolarHBondContact O-CG1 3.17Å; K65-I69 PolarHBondContact O-N 3.45Å; I69-E71 PolarHBondContact O-N 3.05Å; I69-T72 PolarHBondContact O-N 3.14Å; I69-Y75 HydrophobicContact CG2-CD2 4.47Å; I69-Y75 HydrophobicContact CG2-CE2 4.05Å
70S59.3Low74.2Confident4 Ų450.9 Ų50.93%0.02826%0.257CS..Iπ-helixtrans-70-31.3-167.5-56.80000114.8T66 T72 G74 Y75 E77T66-S70 WeakPolarHBondContact O-CB 3.17Å; T66-S70 PolarHBondContact O-N 2.79Å; S70-T72 PolarHBondContact O-N 3.02Å; S70-G74 WeakPolarHBondContact O-CA 3.42Å; S70-G74 PolarHBondContact O-N 2.83Å; S70-Y75 PolarHBondContact O-N 3.4Å; S70-E77 PolarHBondContact OG-OE2 3.38Å
71E65.6Low74Confident2 Ų251 Ų511%0.00926%0.259CS..Hα-helixtrans-66.1-40-179.3-164.2-142.9-175.500113.3I69 F73 G74 L78 M110 R179 H190 H193I69-E71 PolarHBondContact O-N 3.05Å; E71-F73 VanDerWaalsContact C-N 3.33Å; E71-F73 PolarHBondContact O-N 3.22Å; E71-G74 PolarHBondContact O-N 3.28Å; E71-L78 HydrophobicContact CB-CD1 4.22Å; E71-M110 HydrophobicContact CB-CG 4.3Å; E71-M110 HydrophobicContact CB-SD 3.67Å; E71-M110 HydrophobicContact CG-CB 4.3Å; E71-M110 HydrophobicContact CG-CE 4.42Å; E71-M110 HydrophobicContact CG-CG 3.7Å; E71-M110 HydrophobicContact CG-SD 3.7Å; E71-M110 WeakPolarHBondContact OE1-CG 3.3Å; E71-M110 WeakPolarHBondContact OE2-CE 3.37Å; E71-M110 VanDerWaalsContact OE2-SD 3.37Å; E71-R179 IonicContact OE2-CZ 2.68Å; E71-R179 IonicContact OE2-NH2 3.59Å; E71-R179 PolarHBondContact OE2-NH2 2.94Å; E71-H190 PolarHBondContact O-NE2 3.34Å; E71-H193 WeakPolarHBondContact OE1-CB 3.36Å; E71-H193 IonicContact OE1-CE1 2.91Å; E71-H193 IonicContact OE1-CG 2.72Å; E71-H193 PolarHBondContact OE1-N 2.94Å; E71-H193 IonicContact OE1-ND1 3.76Å; E71-H193 PolarHBondContact OE1-ND1 2.96Å
72T58.5Low74.1Confident20 Ų2049.4 Ų49.412%0.12325%0.249CC..Hα-helixtrans-71.9-33.6-173.3-53.20000111.5I69 S70 L178I69-T72 PolarHBondContact O-N 3.14Å; S70-T72 PolarHBondContact O-N 3.02Å; T72-L178 HydrophobicContact CG2-CB 3.55Å; T72-L178 HydrophobicContact CG2-CD1 4.13Å; T72-L178 HydrophobicContact CG2-CD2 4.03Å; T72-L178 HydrophobicContact CG2-CG 4.07Å
73F58Low74.4Confident100 Ų10051.7 Ų51.744%0.43926%0.26SS..Hα-helixtrans-97.70.3-179.6-65-73.9000113.3E71 Y75 L178E71-F73 VanDerWaalsContact C-N 3.33Å; E71-F73 PolarHBondContact O-N 3.22Å; F73-Y75 VanDerWaalsContact C-N 3.27Å; F73-Y75 HydrophobicContact CB-CD1 4.17Å; F73-Y75 HydrophobicContact CB-CD2 3.99Å; F73-Y75 HydrophobicContact CB-CE1 3.83Å; F73-Y75 HydrophobicContact CB-CE2 3.59Å; F73-Y75 HydrophobicContact CB-CG 4.22Å; F73-Y75 VanDerWaalsContact CB-CZ 3.5Å; F73-Y75 AromaticContact CD2-CE2 3.79Å; F73-Y75 HydrophobicContact CD2-CE2 3.79Å; F73-Y75 AromaticContact CG-CE2 3.97Å; F73-Y75 HydrophobicContact CG-CE2 3.97Å; F73-Y75 AromaticContact CG-CZ 3.88Å; F73-Y75 PolarHBondContact O-N 3.13Å; F73-L178 HydrophobicContact CE1-CD2 3.95Å; F73-L178 HydrophobicContact CE2-CD1 4.03Å; F73-L178 HydrophobicContact CE2-CD2 3.68Å; F73-L178 HydrophobicContact CZ-CD1 4.41Å; F73-L178 HydrophobicContact CZ-CD2 3.22Å; F73-L178 HydrophobicContact CZ-CG 4.46Å
74G59.7Low74.8Confident21 Ų2151.3 Ų51.322%0.21625%0.252CS..THydrogen-bonded Turntrans62.432.4-176.700000114.2S70 E71 K76 H190S70-G74 WeakPolarHBondContact O-CA 3.42Å; S70-G74 PolarHBondContact O-N 2.83Å; E71-G74 PolarHBondContact O-N 3.28Å; G74-K76 PolarHBondContact O-N 3.33Å; G74-H190 WeakPolarHBondContact CA-CE1 3.37Å; G74-H190 WeakPolarHBondContact CA-NE2 3.25Å
75Y67.4Low75.8Confident117 Ų11748.1 Ų48.146%0.45924%0.236SC..  trans-61.9140.7178.5-64.5-46000110.6I69 S70 F73 E77I69-Y75 HydrophobicContact CG2-CD2 4.47Å; I69-Y75 HydrophobicContact CG2-CE2 4.05Å; S70-Y75 PolarHBondContact O-N 3.4Å; F73-Y75 VanDerWaalsContact C-N 3.27Å; F73-Y75 HydrophobicContact CB-CD1 4.17Å; F73-Y75 HydrophobicContact CB-CD2 3.99Å; F73-Y75 HydrophobicContact CB-CE1 3.83Å; F73-Y75 HydrophobicContact CB-CE2 3.59Å; F73-Y75 HydrophobicContact CB-CG 4.22Å; F73-Y75 VanDerWaalsContact CB-CZ 3.5Å; F73-Y75 AromaticContact CD2-CE2 3.79Å; F73-Y75 HydrophobicContact CD2-CE2 3.79Å; F73-Y75 AromaticContact CG-CE2 3.97Å; F73-Y75 HydrophobicContact CG-CE2 3.97Å; F73-Y75 AromaticContact CG-CZ 3.88Å; F73-Y75 PolarHBondContact O-N 3.13Å; Y75-E77 PolarHBondContact O-N 3.02Å
76K72.4Confident77Confident180 Ų18042 Ų4278%0.78321%0.209SC*.Hα-helixtrans-65.1-8.2-173.7-65.8-173.1176.7-174.80114.2G74 L78 S79 S80G74-K76 PolarHBondContact O-N 3.33Å; K76-L78 PolarHBondContact O-N 2.83Å; K76-S79 PolarHBondContact O-N 2.92Å; K76-S80 WeakPolarHBondContact O-CB 3.21Å; K76-S80 PolarHBondContact O-N 3.06Å
77E84.4Confident78.3Confident79 Ų7945 Ų4537%0.36922%0.223SC..Hα-helixtrans-58-48.9-178.5-67.7-172.2165.800112.7T66 S70 Y75 S79 S80 T81T66-E77 HydrophobicContact CG2-CB 3.88Å; T66-E77 PolarHBondContact OG1-OE2 2.9Å; S70-E77 PolarHBondContact OG-OE2 3.38Å; Y75-E77 PolarHBondContact O-N 3.02Å; E77-S79 VanDerWaalsContact C-N 3.34Å; E77-S79 PolarHBondContact O-N 3.35Å; E77-S80 PolarHBondContact O-N 2.89Å; E77-T81 WeakPolarHBondContact O-CB 3.3Å; E77-T81 PolarHBondContact O-N 2.9Å; E77-T81 PolarHBondContact O-OG1 2.85Å
78L86.1Confident79.7Confident0 Ų045 Ų450%022%0.223CC..Hα-helixtrans-65.7-38.8178.7-77.7172.2000111.6A62 T66 E71 K76 T81 A82 M110 L111 Y114A62-L78 HydrophobicContact CB-CD2 4.4Å; T66-L78 HydrophobicContact CG2-CB 4.45Å; T66-L78 HydrophobicContact CG2-CD1 4.47Å; T66-L78 HydrophobicContact CG2-CD2 3.44Å; T66-L78 VanDerWaalsContact CG2-CD2 3.44Å; T66-L78 HydrophobicContact CG2-CG 3.47Å; T66-L78 VanDerWaalsContact CG2-CG 3.47Å; E71-L78 HydrophobicContact CB-CD1 4.22Å; K76-L78 PolarHBondContact O-N 2.83Å; L78-T81 PolarHBondContact O-N 3.48Å; L78-A82 WeakPolarHBondContact O-CB 3.37Å; L78-A82 PolarHBondContact O-N 3.03Å; L78-M110 HydrophobicContact CD1-CB 4.16Å; L78-L111 HydrophobicContact CD2-CB 4.3Å; L78-L111 HydrophobicContact CD2-CD1 4.2Å; L78-L111 WeakPolarHBondContact O-CD1 3.21Å; L78-Y114 HydrophobicContact CB-CD2 3.5Å; L78-Y114 VanDerWaalsContact CB-CD2 3.5Å; L78-Y114 HydrophobicContact CB-CE2 3.38Å; L78-Y114 HydrophobicContact CB-CG 4.33Å; L78-Y114 HydrophobicContact CD1-CD2 4.28Å; L78-Y114 HydrophobicContact CD1-CE2 3.66Å; L78-Y114 HydrophobicContact CG-CD2 4.47Å; L78-Y114 HydrophobicContact CG-CE2 4.14Å
79S89.4Confident81.3Confident41 Ų4142.8 Ų42.829%0.28721%0.213SC..Hα-helixtrans-66.5-42.4177-179.50000111.9K76 E77 T81 A82 L83K76-S79 PolarHBondContact O-N 2.92Å; E77-S79 VanDerWaalsContact C-N 3.34Å; E77-S79 PolarHBondContact O-N 3.35Å; S79-T81 VanDerWaalsContact C-N 3.31Å; S79-T81 PolarHBondContact O-N 3.42Å; S79-A82 WeakPolarHBondContact O-CB 3.43Å; S79-A82 PolarHBondContact O-N 3.41Å; S79-L83 PolarHBondContact O-N 2.92Å
80S90.9Very high82.9Confident50 Ų5041.4 Ų41.435%0.3520%0.203SC..Hα-helixtrans-66-35.7175.2176.60000111.8K76 E77 L83 K84K76-S80 WeakPolarHBondContact O-CB 3.21Å; K76-S80 PolarHBondContact O-N 3.06Å; E77-S80 PolarHBondContact O-N 2.89Å; S80-L83 WeakPolarHBondContact O-CB 3.36Å; S80-L83 PolarHBondContact O-N 3.22Å; S80-K84 WeakPolarHBondContact O-CG 3.46Å; S80-K84 PolarHBondContact O-N 3.09Å
81T91.9Very high84.5Confident15 Ų1547 Ų479%0.09223%0.232CC..Hα-helixtrans-66.8-43174.2-56.80000111.2Y60 E77 L78 S79 L83 K84 L85 L111Y60-T81 HydrophobicContact CD1-CG2 4.43Å; Y60-T81 HydrophobicContact CE1-CG2 3.43Å; Y60-T81 VanDerWaalsContact CE1-CG2 3.43Å; Y60-T81 VanDerWaalsContact OH-CG2 3.25Å; Y60-T81 WeakPolarHBondContact OH-CG2 3.25Å; E77-T81 WeakPolarHBondContact O-CB 3.3Å; E77-T81 PolarHBondContact O-N 2.9Å; E77-T81 PolarHBondContact O-OG1 2.85Å; L78-T81 PolarHBondContact O-N 3.48Å; S79-T81 VanDerWaalsContact C-N 3.31Å; S79-T81 PolarHBondContact O-N 3.42Å; T81-L83 VanDerWaalsContact C-N 3.32Å; T81-L83 PolarHBondContact O-N 3.23Å; T81-K84 PolarHBondContact O-N 3.12Å; T81-L85 HydrophobicContact CG2-CD1 4.42Å; T81-L85 WeakPolarHBondContact O-CG 3.49Å; T81-L85 PolarHBondContact O-N 2.96Å; T81-L111 HydrophobicContact CG2-CD1 3.95Å; T81-L111 HydrophobicContact CG2-CD2 4.26Å
82A94.1Very high85.8Confident0 Ų051.1 Ų51.10%025%0.248CC..Hα-helixtrans-60.3-42.517500000111.7L78 S79 L85 L86 L111 I115 L118L78-A82 WeakPolarHBondContact O-CB 3.37Å; L78-A82 PolarHBondContact O-N 3.03Å; S79-A82 WeakPolarHBondContact O-CB 3.43Å; S79-A82 PolarHBondContact O-N 3.41Å; A82-L85 PolarHBondContact O-N 2.95Å; A82-L86 WeakPolarHBondContact O-CG 3.37Å; A82-L86 PolarHBondContact O-N 3.33Å; A82-L86 VanDerWaalsContact O-N 3.13Å; A82-L111 HydrophobicContact CB-CD1 3.95Å; A82-I115 HydrophobicContact CB-CG1 3.6Å; A82-L118 HydrophobicContact CB-CD1 3.76Å
83L94.8Very high87.5Confident54 Ų5457.9 Ų57.928%0.28328%0.278SS..Hα-helixtrans-57.1-55.6175.1178.266.6000111S79 S80 T81 L85 L86 E87 L118 F125S79-L83 PolarHBondContact O-N 2.92Å; S80-L83 WeakPolarHBondContact O-CB 3.36Å; S80-L83 PolarHBondContact O-N 3.22Å; T81-L83 VanDerWaalsContact C-N 3.32Å; T81-L83 PolarHBondContact O-N 3.23Å; L83-L85 VanDerWaalsContact C-N 3.29Å; L83-L85 PolarHBondContact O-N 3.35Å; L83-L86 PolarHBondContact O-N 3.02Å; L83-E87 WeakPolarHBondContact O-CG 3.27Å; L83-E87 PolarHBondContact O-N 3.12Å; L83-L118 HydrophobicContact CB-CD1 4.1Å; L83-F125 HydrophobicContact CD1-CE2 3.36Å; L83-F125 HydrophobicContact CD1-CZ 3.58Å
84K94.2Very high89.1Confident50 Ų5053.5 Ų53.522%0.21726%0.26CS..Hα-helixtrans-57.6-40.3179.3-70.5174.7-178.1177.60112.7D4 I6 S80 T81 L86 E87 I88D4-K84 PolarHBondContact O-NZ 3.27Å; I6-K84 HydrophobicContact CD1-CB 3.7Å; I6-K84 HydrophobicContact CG1-CB 4.17Å; I6-K84 HydrophobicContact CG1-CD 4.4Å; I6-K84 HydrophobicContact CG2-CD 3.89Å; S80-K84 WeakPolarHBondContact O-CG 3.46Å; S80-K84 PolarHBondContact O-N 3.09Å; T81-K84 PolarHBondContact O-N 3.12Å; K84-L86 VanDerWaalsContact C-N 3.29Å; K84-L86 PolarHBondContact O-N 3.46Å; K84-E87 PolarHBondContact O-N 2.85Å; K84-I88 WeakPolarHBondContact O-CG1 3.47Å; K84-I88 PolarHBondContact O-N 3.13Å; K84-I88 VanDerWaalsContact O-N 3.08Å
85L95.2Very high90.7Very high1 Ų154.6 Ų54.61%0.00526%0.259CS..Hα-helixtrans-64.4-33.4177.2-78.5174.8000113.3I6 L33 Y60 T81 A82 L83 I88 L111 I115I6-L85 HydrophobicContact CD1-CD2 3.73Å; I6-L85 HydrophobicContact CD1-CG 3.8Å; L33-L85 HydrophobicContact CD2-CD1 4.1Å; Y60-L85 HydrophobicContact CD1-CD1 3.69Å; Y60-L85 HydrophobicContact CD1-CD2 4.36Å; Y60-L85 HydrophobicContact CD1-CG 4.47Å; Y60-L85 HydrophobicContact CD2-CD2 4.16Å; Y60-L85 HydrophobicContact CE1-CD1 4.24Å; Y60-L85 HydrophobicContact CG-CD1 4.01Å; Y60-L85 HydrophobicContact CG-CD2 3.85Å; Y60-L85 HydrophobicContact CG-CG 4.43Å; T81-L85 HydrophobicContact CG2-CD1 4.42Å; T81-L85 WeakPolarHBondContact O-CG 3.49Å; T81-L85 PolarHBondContact O-N 2.96Å; A82-L85 PolarHBondContact O-N 2.95Å; L83-L85 VanDerWaalsContact C-N 3.29Å; L83-L85 PolarHBondContact O-N 3.35Å; L85-I88 HydrophobicContact CD2-CD1 4.03Å; L85-L111 HydrophobicContact CD1-CD2 3.68Å; L85-L111 HydrophobicContact CD1-CG 4.34Å; L85-I115 HydrophobicContact CD1-CD1 4.44Å
86L96.4Very high91.8Very high2 Ų253.9 Ų53.91%0.0126%0.263CS..Hα-helixtrans-76.5-35.6174.2-67.7176.2000111.5A82 L83 K84 I88 L89 Y90 I115 L118 L119 F125 L128A82-L86 WeakPolarHBondContact O-CG 3.37Å; A82-L86 PolarHBondContact O-N 3.33Å; A82-L86 VanDerWaalsContact O-N 3.13Å; L83-L86 PolarHBondContact O-N 3.02Å; K84-L86 VanDerWaalsContact C-N 3.29Å; K84-L86 PolarHBondContact O-N 3.46Å; L86-I88 VanDerWaalsContact C-N 3.28Å; L86-I88 PolarHBondContact O-N 2.98Å; L86-L89 HydrophobicContact CD2-CD1 4.35Å; L86-L89 WeakPolarHBondContact O-CB 3.37Å; L86-L89 PolarHBondContact O-N 3.25Å; L86-L89 VanDerWaalsContact O-N 3.12Å; L86-Y90 WeakPolarHBondContact O-CD2 3.4Å; L86-I115 HydrophobicContact CD1-CG2 4.43Å; L86-I115 HydrophobicContact CD2-CG2 4.13Å; L86-L118 HydrophobicContact CD1-CB 3.87Å; L86-L118 HydrophobicContact CD1-CD1 4.12Å; L86-L119 HydrophobicContact CD1-CG 4.38Å; L86-L119 HydrophobicContact CD2-CD2 4.45Å; L86-F125 HydrophobicContact CB-CD1 3.67Å; L86-F125 HydrophobicContact CB-CD2 4.45Å; L86-F125 HydrophobicContact CB-CE1 3.55Å; L86-F125 HydrophobicContact CB-CE2 4.41Å; L86-F125 HydrophobicContact CB-CG 4.13Å; L86-F125 HydrophobicContact CB-CZ 3.97Å; L86-F125 HydrophobicContact CD1-CB 4.13Å; L86-F125 HydrophobicContact CD1-CD1 4.16Å; L86-F125 HydrophobicContact CD1-CD2 3.84Å; L86-F125 HydrophobicContact CD1-CE2 4.38Å; L86-F125 HydrophobicContact CD1-CG 3.75Å; L86-F125 HydrophobicContact CG-CD1 4.47Å; L86-L128 HydrophobicContact CD2-CD1 3.95Å
87E95.7Very high92.9Very high68 Ų6845.5 Ų45.532%0.31823%0.228SC..Hα-helixtrans-59.7-36174.3-71.6172159.900112.2L83 K84 L89 Y90 D91 F125L83-E87 WeakPolarHBondContact O-CG 3.27Å; L83-E87 PolarHBondContact O-N 3.12Å; K84-E87 PolarHBondContact O-N 2.85Å; E87-L89 PolarHBondContact O-N 3.38Å; E87-L89 VanDerWaalsContact O-N 3.08Å; E87-Y90 WeakPolarHBondContact O-CA 3.37Å; E87-Y90 WeakPolarHBondContact O-CB 3.49Å; E87-Y90 PolarHBondContact O-N 3.31Å; E87-D91 PolarHBondContact O-N 2.9Å; E87-F125 HydrophobicContact CG-CZ 4.14Å
88I95.3Very high93.4Very high5 Ų541.8 Ų41.83%0.02621%0.21CC..Hα-helixtrans-52.8-33.8174.2-71.5168.3000112.3I6 Y8 I58 K84 L85 L86 Y90 D91 Y92I6-I88 HydrophobicContact CD1-CD1 4.14Å; Y8-I88 HydrophobicContact CD1-CD1 3.4Å; Y8-I88 VanDerWaalsContact CD1-CD1 3.4Å; Y8-I88 HydrophobicContact CD1-CG1 4.46Å; Y8-I88 HydrophobicContact CD2-CD1 3.96Å; Y8-I88 HydrophobicContact CE1-CD1 3.44Å; Y8-I88 VanDerWaalsContact CE1-CD1 3.44Å; Y8-I88 HydrophobicContact CE1-CG1 4.04Å; Y8-I88 HydrophobicContact CE2-CD1 3.99Å; Y8-I88 HydrophobicContact CE2-CG2 4.23Å; Y8-I88 HydrophobicContact CG-CD1 3.69Å; I58-I88 HydrophobicContact CD1-CG2 3.87Å; K84-I88 WeakPolarHBondContact O-CG1 3.47Å; K84-I88 PolarHBondContact O-N 3.13Å; K84-I88 VanDerWaalsContact O-N 3.08Å; L85-I88 HydrophobicContact CD2-CD1 4.03Å; L86-I88 VanDerWaalsContact C-N 3.28Å; L86-I88 PolarHBondContact O-N 2.98Å; I88-Y90 PolarHBondContact O-N 2.81Å; I88-D91 PolarHBondContact O-N 3Å; I88-Y92 HydrophobicContact CG2-CD2 3.7Å; I88-Y92 HydrophobicContact CG2-CE2 3.91Å; I88-Y92 WeakPolarHBondContact O-CD2 3.3Å; I88-Y92 PolarHBondContact O-N 2.82Å; I88-Y92 VanDerWaalsContact O-N 3.13Å
89L95.6Very high94Very high0 Ų041.8 Ų41.80%021%0.21CC..Hα-helixtrans-63.1-34.5178.5-60.9176.6000111.9V29 I31 I58 L86 E87 E93 V94 E95 V99 L128V29-L89 HydrophobicContact CB-CD2 4.42Å; V29-L89 HydrophobicContact CG1-CD2 3.82Å; I31-L89 HydrophobicContact CD1-CD1 4.43Å; I31-L89 HydrophobicContact CD1-CD2 4.33Å; I58-L89 HydrophobicContact CD1-CD2 3.86Å; L86-L89 HydrophobicContact CD2-CD1 4.35Å; L86-L89 WeakPolarHBondContact O-CB 3.37Å; L86-L89 PolarHBondContact O-N 3.25Å; L86-L89 VanDerWaalsContact O-N 3.12Å; E87-L89 PolarHBondContact O-N 3.38Å; E87-L89 VanDerWaalsContact O-N 3.08Å; L89-E93 PolarHBondContact O-N 2.84Å; L89-V94 HydrophobicContact CB-CG2 4.33Å; L89-V94 HydrophobicContact CD2-CG2 3.92Å; L89-V94 CarbonylContact O-C 3.56Å; L89-V94 WeakPolarHBondContact O-CG2 3.25Å; L89-V94 PolarHBondContact O-N 3.01Å; L89-E95 HydrophobicContact CB-CB 4.33Å; L89-E95 PolarHBondContact O-N 3.08Å; L89-V99 HydrophobicContact CD1-CG2 3.89Å; L89-L128 HydrophobicContact CD1-CD1 3.81Å; L89-L128 HydrophobicContact CD1-CD2 4.09Å
90Y95Very high94.4Very high61 Ų6139.9 Ų39.924%0.23920%0.197CC..Hα-helixtrans-80.1-38.6177-61.6-98.5000111L86 E87 I88 Y92 E93 E95 Q124 F125 L128L86-Y90 WeakPolarHBondContact O-CD2 3.4Å; E87-Y90 WeakPolarHBondContact O-CA 3.37Å; E87-Y90 WeakPolarHBondContact O-CB 3.49Å; E87-Y90 PolarHBondContact O-N 3.31Å; I88-Y90 PolarHBondContact O-N 2.81Å; Y90-Y92 PolarHBondContact O-N 2.85Å; Y90-E93 PolarHBondContact O-N 2.83Å; Y90-E95 HydrophobicContact CD1-CB 3.8Å; Y90-E95 HydrophobicContact CD1-CG 3.7Å; Y90-E95 HydrophobicContact CD2-CB 4.23Å; Y90-E95 HydrophobicContact CE1-CB 3.74Å; Y90-E95 HydrophobicContact CE1-CG 3.69Å; Y90-E95 HydrophobicContact CE2-CB 4.13Å; Y90-E95 HydrophobicContact CG-CB 4.04Å; Y90-E95 HydrophobicContact CG-CG 4.37Å; Y90-Q124 HydrophobicContact CE1-CG 4.15Å; Y90-Q124 HydrophobicContact CE2-CG 4.29Å; Y90-Q124 PolarHBondContact OH-O 3Å; Y90-F125 HydrophobicContact CD2-CE1 4.22Å; Y90-F125 AromaticContact CE2-CD1 3.63Å; Y90-F125 HydrophobicContact CE2-CD1 3.63Å; Y90-F125 AromaticContact CE2-CE1 3.6Å; Y90-F125 HydrophobicContact CE2-CE1 3.6Å; Y90-L128 HydrophobicContact CE2-CD2 4.34Å
91D93.8Very high94.8Very high120 Ų12037.5 Ų37.564%0.64218%0.18SC*.Hα-helixtrans-60.9-33.4179.4-67-21.2000112.6E87 I88E87-D91 PolarHBondContact O-N 2.9Å; I88-D91 PolarHBondContact O-N 3Å
92Y93.8Very high95.1Very high90 Ų9036.8 Ų36.835%0.35318%0.176SC..THydrogen-bonded Turntrans-97.78175.3-72.5-85.7000113.8Y8 I10 F12 I88 Y90 V94Y8-Y92 HydrophobicContact CE2-CE2 4.01Å; Y8-Y92 WeakPolarHBondContact OH-CE2 3.42Å; Y8-Y92 PolarHBondContact OH-OH 3.34Å; Y8-Y92 VanDerWaalsContact OH-OH 3.14Å; I10-Y92 HydrophobicContact CD1-CD1 4.19Å; I10-Y92 HydrophobicContact CD1-CD2 3.98Å; I10-Y92 HydrophobicContact CD1-CE1 4.36Å; I10-Y92 HydrophobicContact CD1-CE2 4.18Å; I10-Y92 HydrophobicContact CD1-CG 3.98Å; I10-Y92 HydrophobicContact CG2-CE1 4.27Å; I10-Y92 HydrophobicContact CG2-CE2 4.49Å; F12-Y92 AromaticContact CE2-CD1 3.97Å; F12-Y92 HydrophobicContact CE2-CD1 3.97Å; F12-Y92 HydrophobicContact CE2-CE1 4.18Å; F12-Y92 AromaticContact CZ-CD1 3.65Å; F12-Y92 HydrophobicContact CZ-CD1 3.65Å; F12-Y92 HydrophobicContact CZ-CE1 4.32Å; F12-Y92 HydrophobicContact CZ-CG 4.16Å; I88-Y92 HydrophobicContact CG2-CD2 3.7Å; I88-Y92 HydrophobicContact CG2-CE2 3.91Å; I88-Y92 WeakPolarHBondContact O-CD2 3.3Å; I88-Y92 PolarHBondContact O-N 2.82Å; I88-Y92 VanDerWaalsContact O-N 3.13Å; Y90-Y92 PolarHBondContact O-N 2.85Å; Y92-V94 PolarHBondContact O-N 2.78Å
93E93.1Very high95.3Very high161 Ų16136.8 Ų36.875%0.75218%0.176SC*.THydrogen-bonded Turntrans57.233.8178.9-55.1-177.9176.100114.1L89 Y90 E95L89-E93 PolarHBondContact O-N 2.84Å; Y90-E93 PolarHBondContact O-N 2.83Å; E93-E95 VanDerWaalsContact CA-OE2 3.23Å; E93-E95 WeakPolarHBondContact CA-OE2 3.49Å
94V92.6Very high95.5Very high9 Ų934.2 Ų34.26%0.05516%0.162CC..  trans-111.210.6178.8-62.30000113.1F12 V29 L89 Y92 N96 S97F12-V94 HydrophobicContact CE1-CG1 4.37Å; V29-V94 HydrophobicContact CG2-CB 3.83Å; V29-V94 HydrophobicContact CG2-CG2 3.88Å; L89-V94 HydrophobicContact CB-CG2 4.33Å; L89-V94 HydrophobicContact CD2-CG2 3.92Å; L89-V94 CarbonylContact O-C 3.56Å; L89-V94 WeakPolarHBondContact O-CG2 3.25Å; L89-V94 PolarHBondContact O-N 3.01Å; Y92-V94 PolarHBondContact O-N 2.78Å; V94-N96 PolarHBondContact O-N 3.14Å; V94-S97 VanDerWaalsContact O-CB 3.25Å; V94-S97 WeakPolarHBondContact O-CB 3.37Å; V94-S97 PolarHBondContact O-N 3.38Å
95E92.6Very high95.5Very high43 Ų4332.3 Ų32.320%0.20116%0.155CC..THydrogen-bonded Turntrans-61.6-27.7179.373.3-66.8154.200113.2L89 Y90 E93 S97 L128L89-E95 HydrophobicContact CB-CB 4.33Å; L89-E95 PolarHBondContact O-N 3.08Å; Y90-E95 HydrophobicContact CD1-CB 3.8Å; Y90-E95 HydrophobicContact CD1-CG 3.7Å; Y90-E95 HydrophobicContact CD2-CB 4.23Å; Y90-E95 HydrophobicContact CE1-CB 3.74Å; Y90-E95 HydrophobicContact CE1-CG 3.69Å; Y90-E95 HydrophobicContact CE2-CB 4.13Å; Y90-E95 HydrophobicContact CG-CB 4.04Å; Y90-E95 HydrophobicContact CG-CG 4.37Å; E93-E95 VanDerWaalsContact CA-OE2 3.23Å; E93-E95 WeakPolarHBondContact CA-OE2 3.49Å; E95-S97 VanDerWaalsContact C-N 3.3Å; E95-L128 HydrophobicContact CB-CD2 3.87Å; E95-L128 VanDerWaalsContact O-CD2 3.25Å; E95-L128 WeakPolarHBondContact O-CD2 3.44Å
96N91.3Very high95.4Very high102 Ų10233.2 Ų33.255%0.54516%0.16SC..THydrogen-bonded Turntrans-83.4-7.1176.7-76.3-63.1000113.2K26 V94K26-N96 HydrophobicContact CD-CB 4.22Å; K26-N96 WeakPolarHBondContact CD-O 3.4Å; V94-N96 PolarHBondContact O-N 3.14Å
97S94Very high95Very high5 Ų533.2 Ų33.24%0.03516%0.161CC..SBendtrans-79.4148.3176-69.80000111.1E27 V94 E95 V99E27-S97 VanDerWaalsContact O-CB 3.25Å; E27-S97 WeakPolarHBondContact O-CB 3.05Å; E27-S97 PolarHBondContact O-OG 3.06Å; V94-S97 VanDerWaalsContact O-CB 3.25Å; V94-S97 WeakPolarHBondContact O-CB 3.37Å; V94-S97 PolarHBondContact O-N 3.38Å; E95-S97 VanDerWaalsContact C-N 3.3Å; S97-V99 PolarHBondContact O-N 3.21Å
98P95.9Very high95Very high0 Ų030 Ų300%015%0.146CC..PPolyproline II helixtrans-56.5130.5171.311-18.1000111.9P28 V29 R129 L131 M269P28-P98 CarbonylContact C-O 3.55Å; P28-P98 VanDerWaalsContact CA-O 3.23Å; P28-P98 WeakPolarHBondContact CA-O 3.46Å; P28-P98 HydrophobicContact CB-CB 4.37Å; P28-P98 HydrophobicContact CB-CG 4.12Å; P28-P98 HydrophobicContact CG-CG 4.03Å; V29-P98 PolarHBondContact N-O 2.88Å; P98-R129 WeakPolarHBondContact CA-O 3.39Å; P98-R129 VanDerWaalsContact CB-NH2 3.28Å; P98-L131 HydrophobicContact CB-CD1 3.63Å; P98-L131 HydrophobicContact CB-CD2 3.89Å; P98-L131 HydrophobicContact CB-CG 3.65Å; P98-M269 HydrophobicContact CB-SD 4.16Å; P98-M269 HydrophobicContact CG-CE 4.29Å; P98-M269 HydrophobicContact CG-SD 4.03Å
99V97.9Very high95Very high1 Ų129.8 Ų29.81%0.00615%0.145CC..EExtended strand (participates in β ladder)trans-99.8136.2178.4-179.50000110.1V29 I31 L89 S97 F101 R129 V130 L131V29-V99 CarbonylContact O-C 3.59Å; V29-V99 WeakPolarHBondContact O-CA 3.31Å; I31-V99 HydrophobicContact CD1-CG1 3.96Å; I31-V99 HydrophobicContact CG1-CG1 4.44Å; L89-V99 HydrophobicContact CD1-CG2 3.89Å; S97-V99 PolarHBondContact O-N 3.21Å; V99-F101 HydrophobicContact CG1-CD2 4.43Å; V99-F101 HydrophobicContact CG1-CE1 4.4Å; V99-F101 HydrophobicContact CG1-CE2 3.8Å; V99-F101 HydrophobicContact CG1-CZ 3.77Å; V99-R129 PolarHBondContact N-O 2.82Å; V99-V130 HydrophobicContact CB-CG2 4.3Å; V99-V130 CarbonylContact O-C 3.56Å; V99-V130 WeakPolarHBondContact O-CA 3.31Å; V99-L131 PolarHBondContact O-N 2.99Å
100F98.5Very high94.8Very high0 Ų030.1 Ų30.10%015%0.147CC..EExtended strand (participates in β ladder)trans-134.1140.7176.3-172.1-90.5000110V29 V30 I31 Y50 L131 G132 V134 F264 L265V29-F100 PolarHBondContact O-N 3.1Å; V30-F100 CarbonylContact C-O 3.56Å; V30-F100 VanDerWaalsContact CA-O 3.25Å; V30-F100 WeakPolarHBondContact CA-O 3.42Å; V30-F100 HydrophobicContact CG1-CD1 4.04Å; V30-F100 HydrophobicContact CG2-CB 4.19Å; V30-F100 HydrophobicContact CG2-CD1 4.33Å; I31-F100 PolarHBondContact N-O 3.5Å; Y50-F100 HydrophobicContact CE1-CD1 4.48Å; Y50-F100 HydrophobicContact CE1-CE1 4.14Å; F100-L131 HydrophobicContact CD2-CB 4.03Å; F100-G132 WeakPolarHBondContact CD2-O 3.3Å; F100-V134 HydrophobicContact CE1-CG2 3.84Å; F100-V134 HydrophobicContact CZ-CG2 3.75Å; F100-F264 AromaticContact CE2-CD1 3.99Å; F100-F264 HydrophobicContact CE2-CD1 3.99Å; F100-F264 AromaticContact CE2-CE1 3.95Å; F100-F264 HydrophobicContact CE2-CE1 3.95Å; F100-F264 AromaticContact CZ-CD1 3.65Å; F100-F264 HydrophobicContact CZ-CD1 3.65Å; F100-F264 AromaticContact CZ-CE1 3.89Å; F100-F264 HydrophobicContact CZ-CE1 3.89Å; F100-L265 HydrophobicContact CB-CD1 4.14Å; F100-L265 HydrophobicContact CD1-CD1 4.29Å; F100-L265 HydrophobicContact CD2-CD1 3.61Å; F100-L265 HydrophobicContact CE2-CB 4.3Å; F100-L265 HydrophobicContact CE2-CD1 3.98Å; F100-L265 HydrophobicContact CG-CD1 3.77Å; F100-L265 HydrophobicContact CZ-CB 4.24Å; F100-L265 HydrophobicContact CZ-CD1 4.43Å
101F98.8Very high94.7Very high0 Ų027.2 Ų27.20%014%0.135CC..EExtended strand (participates in β ladder)trans-108.2142.9-178.2-66.5-81.9000111.9I31 L33 V99 V103 Y112 I115 L119 V130 G132 A133 V134I31-F101 HydrophobicContact CB-CD1 3.84Å; I31-F101 HydrophobicContact CB-CE1 3.95Å; I31-F101 HydrophobicContact CD1-CD1 4.48Å; I31-F101 HydrophobicContact CD1-CE1 3.74Å; I31-F101 HydrophobicContact CD1-CZ 4.24Å; I31-F101 HydrophobicContact CG1-CE1 4.33Å; I31-F101 HydrophobicContact CG2-CD1 4.29Å; I31-F101 HydrophobicContact CG2-CE1 4.27Å; I31-F101 WeakPolarHBondContact O-CA 3.43Å; L33-F101 HydrophobicContact CD1-CD1 4.49Å; V99-F101 HydrophobicContact CG1-CD2 4.43Å; V99-F101 HydrophobicContact CG1-CE1 4.4Å; V99-F101 HydrophobicContact CG1-CE2 3.8Å; V99-F101 HydrophobicContact CG1-CZ 3.77Å; F101-V103 HydrophobicContact CB-CG2 4.03Å; F101-Y112 HydrophobicContact CB-CD2 4.43Å; F101-Y112 HydrophobicContact CB-CE2 4.03Å; F101-Y112 HydrophobicContact CD1-CD2 4.22Å; F101-Y112 HydrophobicContact CD1-CE2 4.23Å; F101-Y112 AromaticContact CD2-CE2 3.85Å; F101-Y112 HydrophobicContact CD2-CE2 3.85Å; F101-Y112 HydrophobicContact CE2-CE2 4.36Å; F101-Y112 HydrophobicContact CG-CD2 4.17Å; F101-Y112 AromaticContact CG-CE2 3.77Å; F101-Y112 HydrophobicContact CG-CE2 3.77Å; F101-I115 HydrophobicContact CE1-CD1 4.33Å; F101-I115 HydrophobicContact CE1-CG2 3.89Å; F101-I115 HydrophobicContact CZ-CG2 3.65Å; F101-L119 HydrophobicContact CE2-CD1 4.3Å; F101-L119 HydrophobicContact CZ-CD1 4.28Å; F101-V130 HydrophobicContact CD2-CG1 3.78Å; F101-V130 HydrophobicContact CE2-CG1 3.6Å; F101-V130 HydrophobicContact CE2-CG2 4.03Å; F101-G132 PolarHBondContact N-O 2.98Å; F101-A133 HydrophobicContact CB-CB 3.88Å; F101-A133 CarbonylContact O-C 3.55Å; F101-A133 WeakPolarHBondContact O-CA 3.48Å; F101-V134 PolarHBondContact O-N 3.4Å
102H98.8Very high94.9Very high0 Ų021.5 Ų21.50%011%0.105CC..EExtended strand (participates in β ladder)trans-126.9108.2163.5-162.9151.1000109I31 L32 L33 Y50 F104 V134 Y257I31-H102 PolarHBondContact O-N 2.9Å; L32-H102 CarbonylContact C-O 3.6Å; L32-H102 VanDerWaalsContact CA-O 3.3Å; L32-H102 WeakPolarHBondContact CA-O 3.25Å; L32-H102 HydrophobicContact CG-CB 4.14Å; L33-H102 PolarHBondContact N-O 3.37Å; Y50-H102 HydrophobicContact CE2-CB 4.32Å; Y50-H102 AromaticContact CE2-ND1 3.51Å; Y50-H102 AromaticContact CZ-ND1 3.62Å; Y50-H102 PolarHBondContact OH-ND1 2.98Å; H102-F104 HydrophobicContact CB-CE2 4.37Å; H102-F104 AromaticContact CD2-CE1 3.68Å; H102-F104 AromaticContact CD2-CE2 3.63Å; H102-F104 AromaticContact CD2-CZ 3.28Å; H102-F104 WeakPolarHBondContact CD2-CZ 3.43Å; H102-F104 AromaticContact CE1-CZ 3.72Å; H102-F104 AromaticContact CG-CE2 3.93Å; H102-F104 AromaticContact CG-CZ 3.7Å; H102-F104 AromaticContact ND1-CZ 3.95Å; H102-F104 AromaticContact NE2-CE1 3.4Å; H102-F104 WeakPolarHBondContact NE2-CE1 3.42Å; H102-F104 AromaticContact NE2-CZ 3.32Å; H102-F104 VanDerWaalsContact NE2-CZ 3.32Å; H102-F104 WeakPolarHBondContact NE2-CZ 3.31Å; H102-V134 CarbonylContact C-O 3.53Å; H102-V134 WeakPolarHBondContact CA-O 3.23Å; H102-V134 WeakPolarHBondContact NE2-CG1 3.41Å; H102-Y257 AromaticContact CE1-CE1 3.99Å; H102-Y257 AromaticContact CE1-CZ 3.89Å; H102-Y257 PolarHBondContact CE1-OH 2.76Å; H102-Y257 PolarHBondContact NE2-OH 2.79Å
103V98.6Very high95Very high0 Ų018 Ų180%09%0.091CC..EExtended strand (participates in β ladder)trans-111.1125.3-167.2-172.10000110L33 F101 F109 Y112 V134 V135 D136L33-V103 HydrophobicContact CB-CG1 4.47Å; L33-V103 HydrophobicContact CD1-CG2 4.21Å; F101-V103 HydrophobicContact CB-CG2 4.03Å; V103-F109 HydrophobicContact CG1-CB 4.02Å; V103-F109 HydrophobicContact CG1-CD2 4.09Å; V103-F109 VanDerWaalsContact CG1-N 3.31Å; V103-Y112 HydrophobicContact CG1-CG 4.34Å; V103-Y112 HydrophobicContact CG2-CD1 4.46Å; V103-Y112 HydrophobicContact CG2-CD2 3.72Å; V103-Y112 HydrophobicContact CG2-CE2 4.24Å; V103-Y112 HydrophobicContact CG2-CG 3.84Å; V103-V134 PolarHBondContact N-O 3.07Å; V103-V135 CarbonylContact O-C 3.49Å; V103-V135 WeakPolarHBondContact O-CA 3.46Å; V103-D136 PolarHBondContact O-N 3.48Å
104F97.9Very high95Very high0 Ų010.8 Ų10.80%06%0.057CC..EExtended strand (participates in β ladder)trans-110.7127.9-175.5-61.3-86.3000112.8L32 L33 W35 L43 Y46 H102 G108 D136 V247L32-F104 HydrophobicContact CB-CE2 4.32Å; L32-F104 HydrophobicContact CD2-CE2 4.17Å; L32-F104 HydrophobicContact CD2-CZ 4.47Å; L33-F104 WeakPolarHBondContact O-CD2 3.36Å; L33-F104 PolarHBondContact O-N 2.72Å; W35-F104 HydrophobicContact CB-CB 4.35Å; W35-F104 HydrophobicContact CE3-CB 3.73Å; W35-F104 HydrophobicContact CE3-CD1 4.36Å; W35-F104 HydrophobicContact CE3-CG 4.02Å; W35-F104 HydrophobicContact CZ3-CB 4.49Å; W35-F104 HydrophobicContact CZ3-CD1 4.35Å; W35-F104 HydrophobicContact CZ3-CG 4.31Å; L43-F104 HydrophobicContact CD2-CD2 3.87Å; L43-F104 HydrophobicContact CD2-CE2 3.84Å; Y46-F104 AromaticContact CD1-CE1 3.45Å; Y46-F104 HydrophobicContact CD1-CE1 3.45Å; Y46-F104 VanDerWaalsContact CD1-CE1 3.45Å; Y46-F104 AromaticContact CD1-CZ 3.54Å; Y46-F104 HydrophobicContact CD1-CZ 3.54Å; Y46-F104 HydrophobicContact CD2-CE1 4.46Å; Y46-F104 HydrophobicContact CD2-CZ 4.31Å; Y46-F104 AromaticContact CE1-CE1 3.57Å; Y46-F104 HydrophobicContact CE1-CE1 3.57Å; Y46-F104 HydrophobicContact CE1-CZ 4.15Å; Y46-F104 AromaticContact CG-CE1 3.93Å; Y46-F104 HydrophobicContact CG-CE1 3.93Å; Y46-F104 AromaticContact CG-CZ 3.63Å; Y46-F104 HydrophobicContact CG-CZ 3.63Å; H102-F104 HydrophobicContact CB-CE2 4.37Å; H102-F104 AromaticContact CD2-CE1 3.68Å; H102-F104 AromaticContact CD2-CE2 3.63Å; H102-F104 AromaticContact CD2-CZ 3.28Å; H102-F104 WeakPolarHBondContact CD2-CZ 3.43Å; H102-F104 AromaticContact CE1-CZ 3.72Å; H102-F104 AromaticContact CG-CE2 3.93Å; H102-F104 AromaticContact CG-CZ 3.7Å; H102-F104 AromaticContact ND1-CZ 3.95Å; H102-F104 AromaticContact NE2-CE1 3.4Å; H102-F104 WeakPolarHBondContact NE2-CE1 3.42Å; H102-F104 AromaticContact NE2-CZ 3.32Å; H102-F104 VanDerWaalsContact NE2-CZ 3.32Å; H102-F104 WeakPolarHBondContact NE2-CZ 3.31Å; F104-G108 WeakPolarHBondContact O-CA 3.37Å; F104-G108 PolarHBondContact O-N 3.12Å; F104-D136 HydrophobicContact CD1-CB 3.7Å; F104-D136 HydrophobicContact CE1-CB 4.02Å; F104-V247 HydrophobicContact CD1-CG1 4.05Å
105S95.1Very high95.2Very high11 Ų1110.4 Ų10.48%0.0775%0.054CC..Hα-helixtrans54.2-175.9176.3-167.70000112.7G107 F109 D136 A138 H246S105-G107 PolarHBondContact O-N 3.08Å; S105-F109 WeakPolarHBondContact O-CB 3.2Å; S105-F109 PolarHBondContact O-N 3.26Å; S105-F109 VanDerWaalsContact O-N 3.12Å; S105-D136 PolarHBondContact N-O 2.92Å; S105-A138 VanDerWaalsContact C-CB 3.48Å; S105-A138 WeakPolarHBondContact O-CB 3.38Å; S105-H246 WeakPolarHBondContact CB-NE2 3.39Å; S105-H246 PolarHBondContact OG-CE1 2.83Å; S105-H246 VanDerWaalsContact OG-CE1 3.25Å; S105-H246 PolarHBondContact OG-NE2 3.39Å
106N92Very high95.4Very high19 Ų198.5 Ų8.510%0.1025%0.046CC..Hα-helixtrans-63.1-31174.2-82.2-11.1000111.8F109 M110 G140 H193 I217N106-F109 PolarHBondContact O-N 3.2Å; N106-M110 HydrophobicContact CB-CE 4.09Å; N106-M110 WeakPolarHBondContact O-CB 3.38Å; N106-M110 WeakPolarHBondContact O-CG 3.45Å; N106-M110 PolarHBondContact O-N 3.37Å; N106-G140 PolarHBondContact ND2-O 3.02Å; N106-G140 PolarHBondContact OD1-N 3.25Å; N106-H193 PolarHBondContact ND2-NE2 3.31Å; N106-H193 PolarHBondContact OD1-NE2 3.15Å; N106-I217 WeakPolarHBondContact ND2-CD1 3.22Å
107G89.4Confident95.6Very high3 Ų38.2 Ų8.23%0.0314%0.041CC..Hα-helixtrans-58.9-49.9179.800000113.3S105S105-G107 PolarHBondContact O-N 3.08Å
108G94.8Very high95.7Very high1 Ų18.9 Ų8.91%0.014%0.044CC..Hα-helixtrans-69.3-38.5174.100000111.8G34 F104 M110 L111 Y112G34-G108 WeakPolarHBondContact O-CA 3.43Å; G34-G108 PolarHBondContact O-N 3Å; F104-G108 WeakPolarHBondContact O-CA 3.37Å; F104-G108 PolarHBondContact O-N 3.12Å; G108-M110 VanDerWaalsContact C-N 3.31Å; G108-M110 PolarHBondContact O-N 3.41Å; G108-L111 PolarHBondContact O-N 3.12Å; G108-Y112 WeakPolarHBondContact O-CB 3.42Å; G108-Y112 PolarHBondContact O-N 3.1Å
109F95.3Very high95.7Very high0 Ų09.6 Ų9.60%05%0.048CC..Hα-helixtrans-67-30.9-177.2-158.7-89.3000113.3V103 S105 N106 Y112 R113 V135 A138 P139 H193 V197 F225V103-F109 HydrophobicContact CG1-CB 4.02Å; V103-F109 HydrophobicContact CG1-CD2 4.09Å; V103-F109 VanDerWaalsContact CG1-N 3.31Å; S105-F109 WeakPolarHBondContact O-CB 3.2Å; S105-F109 PolarHBondContact O-N 3.26Å; S105-F109 VanDerWaalsContact O-N 3.12Å; N106-F109 PolarHBondContact O-N 3.2Å; F109-Y112 HydrophobicContact CD2-CD1 4.16Å; F109-Y112 HydrophobicContact CE2-CD1 4.03Å; F109-Y112 HydrophobicContact CE2-CE1 4.37Å; F109-Y112 HydrophobicContact CZ-CD1 4.44Å; F109-Y112 PolarHBondContact O-N 3.08Å; F109-R113 PolarHBondContact O-N 2.83Å; F109-V135 HydrophobicContact CD2-CG1 3.66Å; F109-V135 HydrophobicContact CD2-CG2 4.48Å; F109-V135 HydrophobicContact CE2-CG1 3.88Å; F109-V135 HydrophobicContact CE2-CG2 4.16Å; F109-A138 HydrophobicContact CB-CB 4.16Å; F109-A138 HydrophobicContact CD2-CB 4.32Å; F109-A138 HydrophobicContact CG-CB 4.45Å; F109-P139 HydrophobicContact CD1-CB 3.62Å; F109-P139 HydrophobicContact CD1-CG 4.49Å; F109-P139 HydrophobicContact CD2-CB 4.21Å; F109-P139 HydrophobicContact CE1-CB 3.52Å; F109-P139 HydrophobicContact CE1-CG 3.93Å; F109-P139 HydrophobicContact CE2-CB 4.13Å; F109-P139 HydrophobicContact CE2-CG 4.17Å; F109-P139 HydrophobicContact CG-CB 3.96Å; F109-P139 HydrophobicContact CZ-CB 3.78Å; F109-P139 HydrophobicContact CZ-CG 3.75Å; F109-H193 HydrophobicContact CD1-CB 4.07Å; F109-H193 AromaticContact CD1-CD2 3.67Å; F109-V197 HydrophobicContact CE1-CB 3.99Å; F109-V197 HydrophobicContact CE1-CG1 4.46Å; F109-V197 HydrophobicContact CE1-CG2 3.78Å; F109-V197 HydrophobicContact CZ-CB 4.04Å; F109-V197 HydrophobicContact CZ-CG1 4.02Å; F109-V197 HydrophobicContact CZ-CG2 4.1Å; F109-F225 HydrophobicContact CE1-CZ 4.49Å; F109-F225 HydrophobicContact CZ-CE1 4.29Å; F109-F225 HydrophobicContact CZ-CE2 4.23Å; F109-F225 AromaticContact CZ-CZ 3.73Å; F109-F225 HydrophobicContact CZ-CZ 3.73Å
110M92.4Very high95.4Very high6 Ų612.6 Ų12.63%0.036%0.062CC..Hα-helixtrans-61.7-45.1171.6-72.9175.7-162.300111.9V67 E71 L78 N106 G108 R113 Y114 H193V67-M110 HydrophobicContact CG1-CE 4.25Å; V67-M110 HydrophobicContact CG1-SD 3.72Å; E71-M110 HydrophobicContact CB-CG 4.3Å; E71-M110 HydrophobicContact CB-SD 3.67Å; E71-M110 HydrophobicContact CG-CB 4.3Å; E71-M110 HydrophobicContact CG-CE 4.42Å; E71-M110 HydrophobicContact CG-CG 3.7Å; E71-M110 HydrophobicContact CG-SD 3.7Å; E71-M110 WeakPolarHBondContact OE1-CG 3.3Å; E71-M110 WeakPolarHBondContact OE2-CE 3.37Å; E71-M110 VanDerWaalsContact OE2-SD 3.37Å; L78-M110 HydrophobicContact CD1-CB 4.16Å; N106-M110 HydrophobicContact CB-CE 4.09Å; N106-M110 WeakPolarHBondContact O-CB 3.38Å; N106-M110 WeakPolarHBondContact O-CG 3.45Å; N106-M110 PolarHBondContact O-N 3.37Å; G108-M110 VanDerWaalsContact C-N 3.31Å; G108-M110 PolarHBondContact O-N 3.41Å; M110-R113 WeakPolarHBondContact O-CG 3.32Å; M110-R113 PolarHBondContact O-N 2.93Å; M110-Y114 VanDerWaalsContact O-CD2 3.22Å; M110-Y114 WeakPolarHBondContact O-CD2 3.31Å; M110-H193 HydrophobicContact CB-CB 4.38Å; M110-H193 HydrophobicContact CG-CB 3.85Å
111L93.3Very high95.1Very high1 Ų116.7 Ų16.71%0.0059%0.091CC..Hα-helixtrans-68.2-43.7176.3-178.857000111.3L33 Y60 A62 L78 T81 A82 L85 G108 R113 Y114 I115L33-L111 HydrophobicContact CD2-CD2 4.07Å; Y60-L111 HydrophobicContact CD1-CD2 3.56Å; Y60-L111 HydrophobicContact CE1-CD2 3.64Å; A62-L111 HydrophobicContact CB-CD2 4.43Å; L78-L111 HydrophobicContact CD2-CB 4.3Å; L78-L111 HydrophobicContact CD2-CD1 4.2Å; L78-L111 WeakPolarHBondContact O-CD1 3.21Å; T81-L111 HydrophobicContact CG2-CD1 3.95Å; T81-L111 HydrophobicContact CG2-CD2 4.26Å; A82-L111 HydrophobicContact CB-CD1 3.95Å; L85-L111 HydrophobicContact CD1-CD2 3.68Å; L85-L111 HydrophobicContact CD1-CG 4.34Å; G108-L111 PolarHBondContact O-N 3.12Å; L111-R113 PolarHBondContact O-N 3.08Å; L111-Y114 PolarHBondContact O-N 3.39Å; L111-I115 HydrophobicContact CG-CD1 4.3Å; L111-I115 PolarHBondContact O-N 2.97Å; L111-I115 VanDerWaalsContact O-N 3.13Å
112Y97Very high94.9Very high0 Ų019.1 Ų19.10%010%0.104CC..Hα-helixtrans-54.2-37.3175-178.7-109.3000112.5L33 F101 V103 G108 F109 Y114 I115 V116 A133 W204 H206L33-Y112 HydrophobicContact CD1-CD2 4.21Å; F101-Y112 HydrophobicContact CB-CD2 4.43Å; F101-Y112 HydrophobicContact CB-CE2 4.03Å; F101-Y112 HydrophobicContact CD1-CD2 4.22Å; F101-Y112 HydrophobicContact CD1-CE2 4.23Å; F101-Y112 AromaticContact CD2-CE2 3.85Å; F101-Y112 HydrophobicContact CD2-CE2 3.85Å; F101-Y112 HydrophobicContact CE2-CE2 4.36Å; F101-Y112 HydrophobicContact CG-CD2 4.17Å; F101-Y112 AromaticContact CG-CE2 3.77Å; F101-Y112 HydrophobicContact CG-CE2 3.77Å; V103-Y112 HydrophobicContact CG1-CG 4.34Å; V103-Y112 HydrophobicContact CG2-CD1 4.46Å; V103-Y112 HydrophobicContact CG2-CD2 3.72Å; V103-Y112 HydrophobicContact CG2-CE2 4.24Å; V103-Y112 HydrophobicContact CG2-CG 3.84Å; G108-Y112 WeakPolarHBondContact O-CB 3.42Å; G108-Y112 PolarHBondContact O-N 3.1Å; F109-Y112 HydrophobicContact CD2-CD1 4.16Å; F109-Y112 HydrophobicContact CE2-CD1 4.03Å; F109-Y112 HydrophobicContact CE2-CE1 4.37Å; F109-Y112 HydrophobicContact CZ-CD1 4.44Å; F109-Y112 PolarHBondContact O-N 3.08Å; Y112-Y114 VanDerWaalsContact C-N 3.26Å; Y112-Y114 PolarHBondContact O-N 2.92Å; Y112-I115 WeakPolarHBondContact O-CB 3.4Å; Y112-I115 PolarHBondContact O-N 3.26Å; Y112-I115 VanDerWaalsContact O-N 3.17Å; Y112-V116 HydrophobicContact CD1-CG2 4.02Å; Y112-V116 HydrophobicContact CD2-CG2 4.4Å; Y112-V116 HydrophobicContact CE1-CG2 3.51Å; Y112-V116 HydrophobicContact CE2-CG2 3.97Å; Y112-V116 HydrophobicContact CG-CG2 4.42Å; Y112-V116 VanDerWaalsContact CZ-CG2 3.48Å; Y112-V116 WeakPolarHBondContact O-CG2 3.45Å; Y112-V116 PolarHBondContact O-N 2.96Å; Y112-A133 HydrophobicContact CE2-CB 4.3Å; Y112-W204 WeakPolarHBondContact OH-CZ2 3.44Å; Y112-W204 PolarHBondContact OH-NE1 3.36Å; Y112-H206 AromaticContact CE1-NE2 3.83Å; Y112-H206 AromaticContact CZ-NE2 3.91Å; Y112-H206 PolarHBondContact OH-NE2 2.93Å
113R95.1Very high94.4Very high15 Ų1527.6 Ų27.66%0.05714%0.143CC..Hα-helixtrans-61.6-32.7179.191.2112.1-169.6126.3-15.3113.4F109 M110 L111 E117 H190 H193 V197F109-R113 PolarHBondContact O-N 2.83Å; M110-R113 WeakPolarHBondContact O-CG 3.32Å; M110-R113 PolarHBondContact O-N 2.93Å; L111-R113 PolarHBondContact O-N 3.08Å; R113-E117 IonicContact CZ-OE2 3.68Å; R113-E117 IonicContact NH1-OE2 3.89Å; R113-E117 PolarHBondContact NH1-OE2 2.96Å; R113-E117 PolarHBondContact O-N 3.46Å; R113-H190 PolarHBondContact NH2-CE1 3.25Å; R113-H190 PolarHBondContact NH2-NE2 2.86Å; R113-H193 HydrophobicContact CB-CB 4.21Å; R113-H193 HydrophobicContact CG-CB 4.05Å; R113-V197 HydrophobicContact CB-CG2 3.6Å
114Y94.6Very high94.1Very high10 Ų1032 Ų324%0.03916%0.164CC..Hα-helixtrans-82.1-33.7176.1-69.6-82.6000111.5L78 M110 L111 Y112 V116 E117 L118 H190L78-Y114 HydrophobicContact CB-CD2 3.5Å; L78-Y114 VanDerWaalsContact CB-CD2 3.5Å; L78-Y114 HydrophobicContact CB-CE2 3.38Å; L78-Y114 HydrophobicContact CB-CG 4.33Å; L78-Y114 HydrophobicContact CD1-CD2 4.28Å; L78-Y114 HydrophobicContact CD1-CE2 3.66Å; L78-Y114 HydrophobicContact CG-CD2 4.47Å; L78-Y114 HydrophobicContact CG-CE2 4.14Å; M110-Y114 VanDerWaalsContact O-CD2 3.22Å; M110-Y114 WeakPolarHBondContact O-CD2 3.31Å; L111-Y114 PolarHBondContact O-N 3.39Å; Y112-Y114 VanDerWaalsContact C-N 3.26Å; Y112-Y114 PolarHBondContact O-N 2.92Å; Y114-V116 VanDerWaalsContact C-N 3.33Å; Y114-E117 WeakPolarHBondContact O-CB 3.28Å; Y114-E117 PolarHBondContact O-N 2.83Å; Y114-L118 WeakPolarHBondContact O-CG 3.33Å; Y114-L118 PolarHBondContact O-N 3.47Å; Y114-H190 PolarHBondContact OH-CE1 2.94Å; Y114-H190 PolarHBondContact OH-NE2 3.18Å
115I96.8Very high93.9Very high1 Ų132 Ų321%0.00516%0.164CC..Hα-helixtrans-59.2-47.3170.9-69.2171.2000110L33 A82 L85 L86 F101 L111 Y112 E117 L118 L119L33-I115 HydrophobicContact CD1-CD1 3.81Å; L33-I115 HydrophobicContact CD2-CD1 4.28Å; A82-I115 HydrophobicContact CB-CG1 3.6Å; L85-I115 HydrophobicContact CD1-CD1 4.44Å; L86-I115 HydrophobicContact CD1-CG2 4.43Å; L86-I115 HydrophobicContact CD2-CG2 4.13Å; F101-I115 HydrophobicContact CE1-CD1 4.33Å; F101-I115 HydrophobicContact CE1-CG2 3.89Å; F101-I115 HydrophobicContact CZ-CG2 3.65Å; L111-I115 HydrophobicContact CG-CD1 4.3Å; L111-I115 PolarHBondContact O-N 2.97Å; L111-I115 VanDerWaalsContact O-N 3.13Å; Y112-I115 WeakPolarHBondContact O-CB 3.4Å; Y112-I115 PolarHBondContact O-N 3.26Å; Y112-I115 VanDerWaalsContact O-N 3.17Å; I115-E117 VanDerWaalsContact C-N 3.31Å; I115-E117 PolarHBondContact O-N 2.6Å; I115-L118 PolarHBondContact O-N 3.27Å; I115-L119 HydrophobicContact CG2-CD1 3.62Å; I115-L119 HydrophobicContact CG2-CG 4.32Å; I115-L119 WeakPolarHBondContact O-CB 3.35Å; I115-L119 WeakPolarHBondContact O-CD1 3.41Å; I115-L119 VanDerWaalsContact O-CG 3.23Å; I115-L119 WeakPolarHBondContact O-CG 3.32Å; I115-L119 PolarHBondContact O-N 3.3Å
116V96.9Very high93.5Very high4 Ų434.8 Ų34.82%0.02418%0.183CC..Hα-helixtrans-58.5-41.9174.5168.90000111.8Y112 Y114 L119 H120 P202 W204Y112-V116 HydrophobicContact CD1-CG2 4.02Å; Y112-V116 HydrophobicContact CD2-CG2 4.4Å; Y112-V116 HydrophobicContact CE1-CG2 3.51Å; Y112-V116 HydrophobicContact CE2-CG2 3.97Å; Y112-V116 HydrophobicContact CG-CG2 4.42Å; Y112-V116 VanDerWaalsContact CZ-CG2 3.48Å; Y112-V116 WeakPolarHBondContact O-CG2 3.45Å; Y112-V116 PolarHBondContact O-N 2.96Å; Y114-V116 VanDerWaalsContact C-N 3.33Å; V116-L119 PolarHBondContact O-N 2.96Å; V116-H120 VanDerWaalsContact O-CG 3.29Å; V116-H120 PolarHBondContact O-N 2.85Å; V116-H120 VanDerWaalsContact O-N 3.15Å; V116-H120 PolarHBondContact O-ND1 2.85Å; V116-P202 HydrophobicContact CG1-CB 4.06Å; V116-P202 HydrophobicContact CG1-CG 4.24Å; V116-P202 HydrophobicContact CG2-CB 4.36Å; V116-P202 HydrophobicContact CG2-CG 4.05Å; V116-W204 HydrophobicContact CG2-CH2 4.39Å; V116-W204 HydrophobicContact CG2-CZ2 3.92Å
117E94.8Very high93.3Very high95 Ų9538.4 Ų38.444%0.44421%0.21SC..Hα-helixtrans-61.7-48.8177.5-173.5172-171.500111.4R113 Y114 I115 L119 H120 S121R113-E117 IonicContact CZ-OE2 3.68Å; R113-E117 IonicContact NH1-OE2 3.89Å; R113-E117 PolarHBondContact NH1-OE2 2.96Å; R113-E117 PolarHBondContact O-N 3.46Å; Y114-E117 WeakPolarHBondContact O-CB 3.28Å; Y114-E117 PolarHBondContact O-N 2.83Å; I115-E117 VanDerWaalsContact C-N 3.31Å; I115-E117 PolarHBondContact O-N 2.6Å; E117-L119 PolarHBondContact O-N 2.97Å; E117-H120 WeakPolarHBondContact O-CB 3.46Å; E117-H120 PolarHBondContact O-N 3.32Å; E117-H120 VanDerWaalsContact O-N 3.1Å; E117-S121 PolarHBondContact O-N 2.88Å; E117-S121 PolarHBondContact O-OG 2.78Å
118L95.8Very high93.6Very high20 Ų2038.9 Ų38.911%0.10521%0.212CC..Hα-helixtrans-61.2-44.5177.1-70.9170.2000112A82 L83 L86 Y114 I115 H120 S121 D122 F125A82-L118 HydrophobicContact CB-CD1 3.76Å; L83-L118 HydrophobicContact CB-CD1 4.1Å; L86-L118 HydrophobicContact CD1-CB 3.87Å; L86-L118 HydrophobicContact CD1-CD1 4.12Å; Y114-L118 WeakPolarHBondContact O-CG 3.33Å; Y114-L118 PolarHBondContact O-N 3.47Å; I115-L118 PolarHBondContact O-N 3.27Å; L118-H120 PolarHBondContact O-N 2.93Å; L118-H120 VanDerWaalsContact O-N 3.16Å; L118-S121 PolarHBondContact O-N 2.81Å; L118-D122 WeakPolarHBondContact O-CB 3.42Å; L118-D122 PolarHBondContact O-N 2.84Å; L118-F125 HydrophobicContact CB-CD2 4.25Å
119L95.8Very high93.6Very high14 Ų1442 Ų427%0.07322%0.224CC..Hα-helixtrans-61.2-23.4176.3-71.1165.3000113L86 F101 I115 V116 E117 F125 L128 V130 W204L86-L119 HydrophobicContact CD1-CG 4.38Å; L86-L119 HydrophobicContact CD2-CD2 4.45Å; F101-L119 HydrophobicContact CE2-CD1 4.3Å; F101-L119 HydrophobicContact CZ-CD1 4.28Å; I115-L119 HydrophobicContact CG2-CD1 3.62Å; I115-L119 HydrophobicContact CG2-CG 4.32Å; I115-L119 WeakPolarHBondContact O-CB 3.35Å; I115-L119 WeakPolarHBondContact O-CD1 3.41Å; I115-L119 VanDerWaalsContact O-CG 3.23Å; I115-L119 WeakPolarHBondContact O-CG 3.32Å; I115-L119 PolarHBondContact O-N 3.3Å; V116-L119 PolarHBondContact O-N 2.96Å; E117-L119 PolarHBondContact O-N 2.97Å; L119-F125 HydrophobicContact CD2-CB 4.08Å; L119-F125 WeakPolarHBondContact CD2-O 3.26Å; L119-L128 HydrophobicContact CD2-CB 3.99Å; L119-L128 HydrophobicContact CD2-CD1 3.83Å; L119-L128 HydrophobicContact CD2-CG 4.45Å; L119-V130 HydrophobicContact CD1-CG2 3.99Å; L119-V130 HydrophobicContact CD2-CG2 4.26Å; L119-W204 HydrophobicContact CB-CH2 4.08Å; L119-W204 HydrophobicContact CD1-CH2 3.42Å; L119-W204 VanDerWaalsContact CD1-CH2 3.42Å; L119-W204 HydrophobicContact CD1-CZ2 4Å; L119-W204 HydrophobicContact CD1-CZ3 4.25Å; L119-W204 HydrophobicContact CG-CH2 4.37Å
120H93.1Very high93.7Very high64 Ų6443 Ų4330%0.29623%0.23SC..Hα-helixtrans-88.9-35.5175.3-71.1158.5000114.3V116 E117 L118 P202V116-H120 VanDerWaalsContact O-CG 3.29Å; V116-H120 PolarHBondContact O-N 2.85Å; V116-H120 VanDerWaalsContact O-N 3.15Å; V116-H120 PolarHBondContact O-ND1 2.85Å; E117-H120 WeakPolarHBondContact O-CB 3.46Å; E117-H120 PolarHBondContact O-N 3.32Å; E117-H120 VanDerWaalsContact O-N 3.1Å; L118-H120 PolarHBondContact O-N 2.93Å; L118-H120 VanDerWaalsContact O-N 3.16Å; H120-P202 WeakPolarHBondContact NE2-CA 3.41Å
121S91.8Very high93.9Very high87 Ų8743.1 Ų43.161%0.60823%0.23SC*.Hα-helixtrans-108.3-24.3-167.862.50000114.6E117 L118E117-S121 PolarHBondContact O-N 2.88Å; E117-S121 PolarHBondContact O-OG 2.78Å; L118-S121 PolarHBondContact O-N 2.81Å
122D93.2Very high94.1Very high51 Ų5143.1 Ų43.127%0.27323%0.23SC..  trans-93.7124.4-175.2-164-57.8000110.6L118 Q124 F125 S126L118-D122 WeakPolarHBondContact O-CB 3.42Å; L118-D122 PolarHBondContact O-N 2.84Å; D122-Q124 VanDerWaalsContact C-N 3.28Å; D122-Q124 PolarHBondContact O-N 3.23Å; D122-Q124 VanDerWaalsContact OD1-CB 3.31Å; D122-Q124 WeakPolarHBondContact OD1-CB 3.44Å; D122-Q124 PolarHBondContact OD1-N 3.01Å; D122-F125 HydrophobicContact CB-CD2 3.66Å; D122-F125 HydrophobicContact CB-CE2 4.31Å; D122-F125 PolarHBondContact O-N 3.47Å; D122-S126 VanDerWaalsContact O-CB 3.3Å; D122-S126 WeakPolarHBondContact O-CB 3.38Å; D122-S126 PolarHBondContact O-N 3.13Å
123Q89.4Confident94.2Very high178 Ų17843.1 Ų43.183%0.83223%0.23SC*.THydrogen-bonded Turntrans-63.5-34.9-176.3-170.9174.95.300112.1S126Q123-S126 PolarHBondContact O-OG 3.03Å
124Q91.6Very high94.4Very high92 Ų9242.4 Ų42.443%0.4323%0.227SC..THydrogen-bonded Turntrans-61.2-51.7179.2-178.6175.5-3800110.1Y90 D122 S127Y90-Q124 HydrophobicContact CE1-CG 4.15Å; Y90-Q124 HydrophobicContact CE2-CG 4.29Å; Y90-Q124 PolarHBondContact OH-O 3Å; D122-Q124 VanDerWaalsContact C-N 3.28Å; D122-Q124 PolarHBondContact O-N 3.23Å; D122-Q124 VanDerWaalsContact OD1-CB 3.31Å; D122-Q124 WeakPolarHBondContact OD1-CB 3.44Å; D122-Q124 PolarHBondContact OD1-N 3.01Å; Q124-S127 PolarHBondContact O-OG 3.41Å; Q124-S127 VanDerWaalsContact O-OG 3.1Å
125F93.3Very high94.6Very high0 Ų041.9 Ų41.90%023%0.225CC..G310 helixtrans-83.5-16.9-174-51.1-53.9000114.3L83 L86 E87 Y90 L118 L119 D122 S127 L128L83-F125 HydrophobicContact CD1-CE2 3.36Å; L83-F125 HydrophobicContact CD1-CZ 3.58Å; L86-F125 HydrophobicContact CB-CD1 3.67Å; L86-F125 HydrophobicContact CB-CD2 4.45Å; L86-F125 HydrophobicContact CB-CE1 3.55Å; L86-F125 HydrophobicContact CB-CE2 4.41Å; L86-F125 HydrophobicContact CB-CG 4.13Å; L86-F125 HydrophobicContact CB-CZ 3.97Å; L86-F125 HydrophobicContact CD1-CB 4.13Å; L86-F125 HydrophobicContact CD1-CD1 4.16Å; L86-F125 HydrophobicContact CD1-CD2 3.84Å; L86-F125 HydrophobicContact CD1-CE2 4.38Å; L86-F125 HydrophobicContact CD1-CG 3.75Å; L86-F125 HydrophobicContact CG-CD1 4.47Å; E87-F125 HydrophobicContact CG-CZ 4.14Å; Y90-F125 HydrophobicContact CD2-CE1 4.22Å; Y90-F125 AromaticContact CE2-CD1 3.63Å; Y90-F125 HydrophobicContact CE2-CD1 3.63Å; Y90-F125 AromaticContact CE2-CE1 3.6Å; Y90-F125 HydrophobicContact CE2-CE1 3.6Å; L118-F125 HydrophobicContact CB-CD2 4.25Å; L119-F125 HydrophobicContact CD2-CB 4.08Å; L119-F125 WeakPolarHBondContact CD2-O 3.26Å; D122-F125 HydrophobicContact CB-CD2 3.66Å; D122-F125 HydrophobicContact CB-CE2 4.31Å; D122-F125 PolarHBondContact O-N 3.47Å; F125-S127 PolarHBondContact O-N 2.81Å; F125-L128 HydrophobicContact CB-CD1 4.04Å; F125-L128 HydrophobicContact CD1-CD1 4.06Å; F125-L128 HydrophobicContact CG-CD1 4.48Å; F125-L128 VanDerWaalsContact O-CB 3.31Å; F125-L128 WeakPolarHBondContact O-CB 3.13Å; F125-L128 WeakPolarHBondContact O-CG 3.37Å; F125-L128 PolarHBondContact O-N 3.39Å
126S87.3Confident94.6Very high70 Ų7041.9 Ų41.949%0.4923%0.225SC..G310 helixtrans-59.5-20.6-179.967.80000114.2D122 Q123D122-S126 VanDerWaalsContact O-CB 3.3Å; D122-S126 WeakPolarHBondContact O-CB 3.38Å; D122-S126 PolarHBondContact O-N 3.13Å; Q123-S126 PolarHBondContact O-OG 3.03Å
127S88.6Confident94.7Very high94 Ų9441.7 Ų41.766%0.65722%0.224SC*.G310 helixtrans-83.7-13.4177.1640000114Q124 F125 R129Q124-S127 PolarHBondContact O-OG 3.41Å; Q124-S127 VanDerWaalsContact O-OG 3.1Å; F125-S127 PolarHBondContact O-N 2.81Å; S127-R129 PolarHBondContact O-N 3.06Å
128L94.3Very high94.8Very high14 Ų1437.1 Ų37.17%0.07320%0.203CC..  trans-64.8129.1-177.9-68.2175.5000110.8L86 L89 Y90 E95 L119 F125 V130L86-L128 HydrophobicContact CD2-CD1 3.95Å; L89-L128 HydrophobicContact CD1-CD1 3.81Å; L89-L128 HydrophobicContact CD1-CD2 4.09Å; Y90-L128 HydrophobicContact CE2-CD2 4.34Å; E95-L128 HydrophobicContact CB-CD2 3.87Å; E95-L128 VanDerWaalsContact O-CD2 3.25Å; E95-L128 WeakPolarHBondContact O-CD2 3.44Å; L119-L128 HydrophobicContact CD2-CB 3.99Å; L119-L128 HydrophobicContact CD2-CD1 3.83Å; L119-L128 HydrophobicContact CD2-CG 4.45Å; F125-L128 HydrophobicContact CB-CD1 4.04Å; F125-L128 HydrophobicContact CD1-CD1 4.06Å; F125-L128 HydrophobicContact CG-CD1 4.48Å; F125-L128 VanDerWaalsContact O-CB 3.31Å; F125-L128 WeakPolarHBondContact O-CB 3.13Å; F125-L128 WeakPolarHBondContact O-CG 3.37Å; F125-L128 PolarHBondContact O-N 3.39Å; L128-V130 PolarHBondContact O-N 2.94Å; L128-V130 VanDerWaalsContact O-N 3.08Å
129R94.9Very high94.7Very high67 Ų6736.2 Ų36.225%0.25320%0.198SC..  trans-84.686-177.1-169.8174.176.8104.2-13111.3P98 V99 S127 S272P98-R129 WeakPolarHBondContact CA-O 3.39Å; P98-R129 VanDerWaalsContact CB-NH2 3.28Å; V99-R129 PolarHBondContact N-O 2.82Å; S127-R129 PolarHBondContact O-N 3.06Å; R129-S272 VanDerWaalsContact NH1-CB 3.26Å; R129-S272 PolarHBondContact NH1-OG 2.96Å
130V97.2Very high94.4Very high21 Ų2135.5 Ų35.513%0.12719%0.194CC..EExtended strand (participates in β ladder)trans-82.4122.1176.7-172.40000111.6V99 F101 L119 L128 W204V99-V130 HydrophobicContact CB-CG2 4.3Å; V99-V130 CarbonylContact O-C 3.56Å; V99-V130 WeakPolarHBondContact O-CA 3.31Å; F101-V130 HydrophobicContact CD2-CG1 3.78Å; F101-V130 HydrophobicContact CE2-CG1 3.6Å; F101-V130 HydrophobicContact CE2-CG2 4.03Å; L119-V130 HydrophobicContact CD1-CG2 3.99Å; L119-V130 HydrophobicContact CD2-CG2 4.26Å; L128-V130 PolarHBondContact O-N 2.94Å; L128-V130 VanDerWaalsContact O-N 3.08Å; V130-W204 HydrophobicContact CB-CD2 3.75Å; V130-W204 HydrophobicContact CB-CE3 3.61Å; V130-W204 HydrophobicContact CB-CG 4.28Å; V130-W204 HydrophobicContact CB-CH2 4.43Å; V130-W204 HydrophobicContact CB-CZ3 3.98Å; V130-W204 HydrophobicContact CG1-CB 4.41Å; V130-W204 HydrophobicContact CG1-CD2 3.39Å; V130-W204 VanDerWaalsContact CG1-CE2 3.49Å; V130-W204 HydrophobicContact CG1-CE3 3.82Å; V130-W204 HydrophobicContact CG1-CG 3.69Å; V130-W204 HydrophobicContact CG1-CH2 4.41Å; V130-W204 HydrophobicContact CG1-CZ2 4.01Å; V130-W204 HydrophobicContact CG1-CZ3 4.32Å; V130-W204 HydrophobicContact CG2-CE3 4.22Å; V130-W204 HydrophobicContact CG2-CH2 4.27Å; V130-W204 HydrophobicContact CG2-CZ3 4.07Å
131L97.2Very high93.7Very high8 Ų834.6 Ų34.64%0.04220%0.195CC..EExtended strand (participates in β ladder)trans-81.1-41.3-178.3-67.1-178.3000113.7P98 V99 F100 P205 L265 C268 M269P98-L131 HydrophobicContact CB-CD1 3.63Å; P98-L131 HydrophobicContact CB-CD2 3.89Å; P98-L131 HydrophobicContact CB-CG 3.65Å; V99-L131 PolarHBondContact O-N 2.99Å; F100-L131 HydrophobicContact CD2-CB 4.03Å; L131-P205 VanDerWaalsContact O-CD 3.32Å; L131-P205 WeakPolarHBondContact O-CD 3.1Å; L131-P205 WeakPolarHBondContact O-CG 3.48Å; L131-L265 HydrophobicContact CD1-CD1 4.15Å; L131-C268 HydrophobicContact CB-CB 4Å; L131-M269 HydrophobicContact CD1-CG 3.87Å; L131-M269 HydrophobicContact CD1-SD 3.32Å; L131-M269 WeakPolarHBondContact CD1-SD 3.36Å; L131-M269 HydrophobicContact CD2-SD 4.01Å; L131-M269 HydrophobicContact CG-SD 4.28Å
132G98.1Very high92.6Very high0 Ų031.8 Ų31.80%018%0.18CC..EExtended strand (participates in β ladder)trans169.3171.1-169.200000112.7F100 F101 P205F100-G132 WeakPolarHBondContact CD2-O 3.3Å; F101-G132 PolarHBondContact N-O 2.98Å; G132-P205 CarbonylContact C-O 3.51Å; G132-P205 VanDerWaalsContact CA-O 3.26Å; G132-P205 WeakPolarHBondContact CA-O 3.37Å
133A98.6Very high91.6Very high0 Ų030.1 Ų30.10%017%0.171CC..EExtended strand (participates in β ladder)trans-137.7121.9179.100000112.1F101 Y112 P205 H206 F207F101-A133 HydrophobicContact CB-CB 3.88Å; F101-A133 CarbonylContact O-C 3.55Å; F101-A133 WeakPolarHBondContact O-CA 3.48Å; Y112-A133 HydrophobicContact CE2-CB 4.3Å; A133-P205 PolarHBondContact N-O 3.29Å; A133-H206 CarbonylContact O-C 3.59Å; A133-H206 WeakPolarHBondContact O-CA 3.49Å; A133-F207 PolarHBondContact O-N 2.85Å
134V98.8Very high90.8Very high0 Ų023.2 Ų23.20%014%0.141CC..EExtended strand (participates in β ladder)trans-79.3130.4162177.50000108F100 F101 H102 V103 F207 L209 F264F100-V134 HydrophobicContact CE1-CG2 3.84Å; F100-V134 HydrophobicContact CZ-CG2 3.75Å; F101-V134 PolarHBondContact O-N 3.4Å; H102-V134 CarbonylContact C-O 3.53Å; H102-V134 WeakPolarHBondContact CA-O 3.23Å; H102-V134 WeakPolarHBondContact NE2-CG1 3.41Å; V103-V134 PolarHBondContact N-O 3.07Å; V134-F207 WeakPolarHBondContact CA-O 3.46Å; V134-F207 HydrophobicContact CG2-CB 4.48Å; V134-L209 HydrophobicContact CG1-CD1 3.58Å; V134-L209 HydrophobicContact CG1-CG 3.99Å; V134-F264 HydrophobicContact CG2-CD1 3.71Å; V134-F264 HydrophobicContact CG2-CE1 4.21Å
135V98.7Very high90Very high0 Ų024.8 Ų24.80%015%0.148CC..EExtended strand (participates in β ladder)trans-121109176.7-1720000108.2V103 F109 A138 F207 L208 L209V103-V135 CarbonylContact O-C 3.49Å; V103-V135 WeakPolarHBondContact O-CA 3.46Å; F109-V135 HydrophobicContact CD2-CG1 3.66Å; F109-V135 HydrophobicContact CD2-CG2 4.48Å; F109-V135 HydrophobicContact CE2-CG1 3.88Å; F109-V135 HydrophobicContact CE2-CG2 4.16Å; V135-A138 HydrophobicContact CG1-CB 3.6Å; V135-A138 WeakPolarHBondContact CG1-O 3.25Å; V135-F207 PolarHBondContact N-O 3.38Å; V135-L208 HydrophobicContact CB-CD2 3.68Å; V135-L208 HydrophobicContact CG1-CD2 4.34Å; V135-L208 HydrophobicContact CG2-CD2 3.92Å; V135-L208 WeakPolarHBondContact O-CA 3.22Å; V135-L209 PolarHBondContact O-N 2.93Å
136D98.4Very high89.2Confident0 Ų024.8 Ų24.80%015%0.149CC..EExtended strand (participates in β ladder)trans-96.5120.9-178.3-173.9-36.3000110.3V103 F104 S105 A138 H249 Y257V103-D136 PolarHBondContact O-N 3.48Å; F104-D136 HydrophobicContact CD1-CB 3.7Å; F104-D136 HydrophobicContact CE1-CB 4.02Å; S105-D136 PolarHBondContact N-O 2.92Å; D136-A138 VanDerWaalsContact C-N 3.27Å; D136-A138 PolarHBondContact O-N 2.67Å; D136-H249 IonicContact OD1-CD2 3.17Å; D136-H249 PolarHBondContact OD1-CD2 3.4Å; D136-H249 IonicContact OD1-NE2 3.59Å; D136-H249 IonicContact OD2-CD2 3.82Å; D136-Y257 WeakPolarHBondContact OD2-CE2 3.37Å; D136-Y257 VanDerWaalsContact OD2-CZ 3.31Å; D136-Y257 PolarHBondContact OD2-OH 3.42Å
137S97.4Very high88.8Confident0 Ų022.2 Ų22.20%013%0.132CC..SBendtrans5638.8176.9-510000113.1L209 I217 H246 V247 H249S137-L209 PolarHBondContact N-O 3.23Å; S137-I217 VanDerWaalsContact O-CG1 3.29Å; S137-I217 WeakPolarHBondContact O-CG1 3.3Å; S137-H246 WeakPolarHBondContact CB-CE1 3.47Å; S137-H246 WeakPolarHBondContact CB-ND1 3.44Å; S137-V247 WeakPolarHBondContact OG-CA 3.3Å; S137-V247 PolarHBondContact OG-N 2.97Å; S137-H249 PolarHBondContact OG-NE2 2.83Å
138A96.9Very high88.4Confident0 Ų019.8 Ų19.80%011%0.111CC..  trans-159165.4-178.400000111.8S105 F109 V135 D136S105-A138 VanDerWaalsContact C-CB 3.48Å; S105-A138 WeakPolarHBondContact O-CB 3.38Å; F109-A138 HydrophobicContact CB-CB 4.16Å; F109-A138 HydrophobicContact CD2-CB 4.32Å; F109-A138 HydrophobicContact CG-CB 4.45Å; V135-A138 HydrophobicContact CG1-CB 3.6Å; V135-A138 WeakPolarHBondContact CG1-O 3.25Å; D136-A138 VanDerWaalsContact C-N 3.27Å; D136-A138 PolarHBondContact O-N 2.67Å
139P94.9Very high87.7Confident0 Ų024.6 Ų24.60%013%0.128CC..  cis-85.8151.2-7.736-35000112.7F109 Y194 I222 F225F109-P139 HydrophobicContact CD1-CB 3.62Å; F109-P139 HydrophobicContact CD1-CG 4.49Å; F109-P139 HydrophobicContact CD2-CB 4.21Å; F109-P139 HydrophobicContact CE1-CB 3.52Å; F109-P139 HydrophobicContact CE1-CG 3.93Å; F109-P139 HydrophobicContact CE2-CB 4.13Å; F109-P139 HydrophobicContact CE2-CG 4.17Å; F109-P139 HydrophobicContact CG-CB 3.96Å; F109-P139 HydrophobicContact CZ-CB 3.78Å; F109-P139 HydrophobicContact CZ-CG 3.75Å; P139-Y194 HydrophobicContact CB-CD2 3.81Å; P139-Y194 HydrophobicContact CB-CE2 4.4Å; P139-Y194 HydrophobicContact CG-CD2 3.9Å; P139-Y194 HydrophobicContact CG-CE2 4.07Å; P139-I222 WeakPolarHBondContact O-CG1 3.39Å; P139-F225 HydrophobicContact CG-CB 4.01Å; P139-F225 HydrophobicContact CG-CD1 3.61Å; P139-F225 HydrophobicContact CG-CD2 3.44Å; P139-F225 VanDerWaalsContact CG-CD2 3.44Å; P139-F225 HydrophobicContact CG-CE1 3.87Å; P139-F225 HydrophobicContact CG-CE2 3.72Å; P139-F225 HydrophobicContact CG-CG 3.39Å; P139-F225 HydrophobicContact CG-CZ 3.93Å
140G87.8Confident86.9Confident0 Ų022.5 Ų22.50%013%0.125CC..  trans-115.1146.6173.400000113.4N106 H193N106-G140 PolarHBondContact ND2-O 3.02Å; N106-G140 PolarHBondContact OD1-N 3.25Å; G140-H193 PolarHBondContact O-CE1 2.71Å; G140-H193 PolarHBondContact O-NE2 3.13Å
141S78.9Confident86.1Confident44 Ų4422.2 Ų22.231%0.30812%0.123SC..  trans-104.9113.6-174.171.90000111.1N143 D221S141-N143 PolarHBondContact O-N 3.49Å; S141-D221 PolarHBondContact N-OD2 3Å; S141-D221 PolarHBondContact OG-OD1 2.91Å; S141-D221 PolarHBondContact OG-OD2 2.89Å
142G68.8Low85.3Confident28 Ų2824.2 Ų24.229%0.28914%0.135SC..SBendtrans55.514.9163.700000118.5V144G142-V144 PolarHBondContact O-N 2.83Å
143N71.8Confident84.5Confident16 Ų1628.1 Ų28.19%0.08617%0.168CC..  trans-73.891.7-175.5-176.115.6000112S141 Q145 G146 A147 V216 R218S141-N143 PolarHBondContact O-N 3.49Å; N143-Q145 VanDerWaalsContact C-N 3.3Å; N143-Q145 PolarHBondContact O-N 3.34Å; N143-Q145 PolarHBondContact OD1-N 3.4Å; N143-G146 VanDerWaalsContact CG-N 3.32Å; N143-G146 WeakPolarHBondContact ND2-CA 3.31Å; N143-G146 PolarHBondContact ND2-N 3.13Å; N143-G146 WeakPolarHBondContact O-CA 3.45Å; N143-G146 PolarHBondContact O-N 2.71Å; N143-G146 VanDerWaalsContact O-N 3.09Å; N143-G146 PolarHBondContact OD1-N 3.33Å; N143-A147 PolarHBondContact O-N 3.01Å; N143-V216 PolarHBondContact ND2-O 2.82Å; N143-R218 PolarHBondContact OD1-NH2 3.01Å; N143-R218 VanDerWaalsContact OD1-NH2 3.1Å
144V72.6Confident83.5Confident34 Ų3430.3 Ų30.321%0.20618%0.181CC..Hα-helixtrans-56.2-43.2179.1-174.40000111.8G142 G146 A147 L148 V175 I180G142-V144 PolarHBondContact O-N 2.83Å; V144-G146 VanDerWaalsContact C-N 3.32Å; V144-G146 PolarHBondContact O-N 3.31Å; V144-A147 PolarHBondContact O-N 2.89Å; V144-L148 HydrophobicContact CG1-CD1 4.44Å; V144-L148 PolarHBondContact O-N 3.28Å; V144-V175 HydrophobicContact CB-CG1 4.34Å; V144-V175 HydrophobicContact CG1-CG1 4.1Å; V144-V175 HydrophobicContact CG2-CG1 4.1Å; V144-I180 HydrophobicContact CG2-CD1 4.34Å; V144-I180 HydrophobicContact CG2-CG1 4.18Å
145Q76.4Confident82.6Confident124 Ų12432 Ų3258%0.57919%0.19SC*.Hα-helixtrans-64.3-40177.8-68.7-178.9-8.500111.5N143 L148 R149N143-Q145 VanDerWaalsContact C-N 3.3Å; N143-Q145 PolarHBondContact O-N 3.34Å; N143-Q145 PolarHBondContact OD1-N 3.4Å; Q145-L148 PolarHBondContact O-N 3.39Å; Q145-R149 WeakPolarHBondContact O-CG 3.2Å; Q145-R149 PolarHBondContact O-N 2.97Å
146G76.7Confident81.3Confident1 Ų133.1 Ų33.11%0.0120%0.201CC..Hα-helixtrans-62.9-45.4174.600000112.3N143 V144 L148 R149 A150 V216N143-G146 VanDerWaalsContact CG-N 3.32Å; N143-G146 WeakPolarHBondContact ND2-CA 3.31Å; N143-G146 PolarHBondContact ND2-N 3.13Å; N143-G146 WeakPolarHBondContact O-CA 3.45Å; N143-G146 PolarHBondContact O-N 2.71Å; N143-G146 VanDerWaalsContact O-N 3.09Å; N143-G146 PolarHBondContact OD1-N 3.33Å; V144-G146 VanDerWaalsContact C-N 3.32Å; V144-G146 PolarHBondContact O-N 3.31Å; G146-L148 VanDerWaalsContact C-N 3.31Å; G146-L148 PolarHBondContact O-N 2.81Å; G146-R149 PolarHBondContact O-N 3.06Å; G146-R149 VanDerWaalsContact O-N 3.15Å; G146-A150 PolarHBondContact O-N 3Å; G146-V216 VanDerWaalsContact CA-O 3.26Å; G146-V216 WeakPolarHBondContact CA-O 3.32Å
147A77.3Confident80.1Confident16 Ų1638.7 Ų38.713%0.13224%0.238CC..Hα-helixtrans-58.8-42.2175.800000111.7N143 V144 A150 L151 F171 V175N143-A147 PolarHBondContact O-N 3.01Å; V144-A147 PolarHBondContact O-N 2.89Å; A147-A150 PolarHBondContact O-N 2.83Å; A147-L151 PolarHBondContact O-N 2.84Å; A147-F171 HydrophobicContact CB-CE1 3.83Å; A147-F171 HydrophobicContact CB-CZ 4.2Å; A147-F171 WeakPolarHBondContact O-CE1 3.32Å; A147-V175 HydrophobicContact CB-CG1 4.3Å; A147-V175 HydrophobicContact CB-CG2 4.48Å
148L79.8Confident79.1Confident43 Ų4347.4 Ų47.423%0.22528%0.278CS..Hα-helixtrans-63.5-41175.2-76.5167.1000112.6V144 Q145 G146 L151 T152 L168 F171 A172V144-L148 HydrophobicContact CG1-CD1 4.44Å; V144-L148 PolarHBondContact O-N 3.28Å; Q145-L148 PolarHBondContact O-N 3.39Å; G146-L148 VanDerWaalsContact C-N 3.31Å; G146-L148 PolarHBondContact O-N 2.81Å; L148-L151 PolarHBondContact O-N 2.84Å; L148-T152 WeakPolarHBondContact O-CB 3.36Å; L148-T152 PolarHBondContact O-N 2.99Å; L148-T152 PolarHBondContact O-OG1 3.29Å; L148-L168 HydrophobicContact CD2-CB 4.29Å; L148-L168 HydrophobicContact CD2-CD2 4.16Å; L148-L168 VanDerWaalsContact CD2-O 3.25Å; L148-L168 WeakPolarHBondContact CD2-O 3.33Å; L148-F171 HydrophobicContact CD2-CD1 3.9Å; L148-A172 HydrophobicContact CD1-CB 3.87Å; L148-A172 HydrophobicContact CD2-CB 3.75Å; L148-A172 HydrophobicContact CG-CB 4.24Å
149R81.1Confident78.3Confident114 Ų11449.7 Ų49.743%0.4329%0.29SS..Hα-helixtrans-65.6-41.2175.8-70.9-177.4-168.3-155.314.2111.5Q145 G146 T152 A153 Q215 V216Q145-R149 WeakPolarHBondContact O-CG 3.2Å; Q145-R149 PolarHBondContact O-N 2.97Å; G146-R149 PolarHBondContact O-N 3.06Å; G146-R149 VanDerWaalsContact O-N 3.15Å; R149-T152 WeakPolarHBondContact O-CB 3.28Å; R149-T152 PolarHBondContact O-N 3.17Å; R149-A153 PolarHBondContact O-N 2.8Å; R149-Q215 WeakPolarHBondContact CD-O 3.44Å; R149-Q215 VanDerWaalsContact NH1-CG 3.32Å; R149-V216 HydrophobicContact CB-CG2 4.23Å
150A78.6Confident77.9Confident23 Ų2352.8 Ų52.819%0.1931%0.312CS..Hα-helixtrans-62.5-45174.900000112.1G146 A147 T152 A153 T154 V216G146-A150 PolarHBondContact O-N 3Å; A147-A150 PolarHBondContact O-N 2.83Å; A150-T152 VanDerWaalsContact C-N 3.34Å; A150-T152 PolarHBondContact O-N 2.81Å; A150-A153 PolarHBondContact O-N 2.8Å; A150-T154 PolarHBondContact O-N 3.37Å; A150-T154 PolarHBondContact O-OG1 3.12Å; A150-V216 HydrophobicContact CB-CG1 3.96Å
151L79.6Confident77.8Confident16 Ų1657.3 Ų57.38%0.08434%0.341CS..Hα-helixtrans-63.7-42.2175.3-178.261.8000111.1A147 L148 A153 T154 L155 L168 F171A147-L151 PolarHBondContact O-N 2.84Å; L148-L151 PolarHBondContact O-N 2.84Å; L151-A153 VanDerWaalsContact C-N 3.3Å; L151-A153 PolarHBondContact O-N 3.2Å; L151-T154 PolarHBondContact O-N 3.25Å; L151-L155 HydrophobicContact CD1-CD1 4.17Å; L151-L155 HydrophobicContact CD1-CD2 4.24Å; L151-L155 HydrophobicContact CD1-CG 3.91Å; L151-L155 HydrophobicContact CD2-CD1 4.29Å; L151-L155 HydrophobicContact CG-CD1 3.84Å; L151-L155 HydrophobicContact CG-CG 4.06Å; L151-L155 WeakPolarHBondContact O-CG 3.31Å; L151-L155 PolarHBondContact O-N 3.33Å; L151-L168 HydrophobicContact CB-CD2 4.29Å; L151-L168 HydrophobicContact CD2-CD2 4.02Å; L151-L168 HydrophobicContact CG-CD2 4.12Å; L151-F171 HydrophobicContact CB-CD1 4.13Å; L151-F171 HydrophobicContact CB-CE1 4.04Å; L151-F171 HydrophobicContact CD2-CB 3.4Å; L151-F171 HydrophobicContact CD2-CD1 3.43Å; L151-F171 VanDerWaalsContact CD2-CD1 3.43Å; L151-F171 HydrophobicContact CD2-CD2 3.76Å; L151-F171 HydrophobicContact CD2-CE1 4.07Å; L151-F171 HydrophobicContact CD2-CE2 4.37Å; L151-F171 HydrophobicContact CD2-CG 3.23Å; L151-F171 HydrophobicContact CG-CD1 4.4Å; L151-F171 HydrophobicContact CG-CG 4.49Å
152T80.9Confident78.1Confident49 Ų4958.5 Ų58.530%0.30135%0.354SS..Hα-helixtrans-57.9-42.5176.5-60.40000112L148 R149 A150 T154 L168L148-T152 WeakPolarHBondContact O-CB 3.36Å; L148-T152 PolarHBondContact O-N 2.99Å; L148-T152 PolarHBondContact O-OG1 3.29Å; R149-T152 WeakPolarHBondContact O-CB 3.28Å; R149-T152 PolarHBondContact O-N 3.17Å; A150-T152 VanDerWaalsContact C-N 3.34Å; A150-T152 PolarHBondContact O-N 2.81Å; T152-T154 VanDerWaalsContact C-N 3.29Å; T152-T154 PolarHBondContact O-N 3.4Å; T152-L168 VanDerWaalsContact OG1-CD2 3.32Å; T152-L168 WeakPolarHBondContact OG1-CD2 3.34Å
153A80.6Confident78.8Confident83 Ų8361.5 Ų61.569%0.68636%0.362SS*.Hα-helixtrans-66-32.8175.900000112R149 A150 L151R149-A153 PolarHBondContact O-N 2.8Å; A150-A153 PolarHBondContact O-N 2.8Å; L151-A153 VanDerWaalsContact C-N 3.3Å; L151-A153 PolarHBondContact O-N 3.2Å
154T78Confident79.4Confident45 Ų4563 Ų6328%0.27637%0.368SS..Hα-helixtrans-78.9-38.3-178.9-48.90000113.3L64 A150 L151 T152 G156L64-T154 HydrophobicContact CD1-CG2 3.94Å; L64-T154 HydrophobicContact CD2-CG2 3.43Å; L64-T154 VanDerWaalsContact CD2-CG2 3.43Å; L64-T154 HydrophobicContact CG-CG2 4.19Å; A150-T154 PolarHBondContact O-N 3.37Å; A150-T154 PolarHBondContact O-OG1 3.12Å; L151-T154 PolarHBondContact O-N 3.25Å; T152-T154 VanDerWaalsContact C-N 3.29Å; T152-T154 PolarHBondContact O-N 3.4Å; T154-G156 PolarHBondContact O-N 3.24Å
155L78.5Confident80Confident37 Ų3769.5 Ų69.519%0.19439%0.39CS..Hα-helixtrans-67.3-18-179.7-72.5178.4000113.4L151 I159 L167 L168L151-L155 HydrophobicContact CD1-CD1 4.17Å; L151-L155 HydrophobicContact CD1-CD2 4.24Å; L151-L155 HydrophobicContact CD1-CG 3.91Å; L151-L155 HydrophobicContact CD2-CD1 4.29Å; L151-L155 HydrophobicContact CG-CD1 3.84Å; L151-L155 HydrophobicContact CG-CG 4.06Å; L151-L155 WeakPolarHBondContact O-CG 3.31Å; L151-L155 PolarHBondContact O-N 3.33Å; L155-I159 HydrophobicContact CB-CD1 3.96Å; L155-I159 HydrophobicContact CD2-CD1 3.71Å; L155-I159 HydrophobicContact CG-CD1 4.34Å; L155-I159 WeakPolarHBondContact O-CD1 3.21Å; L155-L167 HydrophobicContact CD1-CB 4.22Å; L155-L167 HydrophobicContact CD1-CD1 4.34Å; L155-L167 HydrophobicContact CD2-CD1 4.24Å; L155-L168 HydrophobicContact CD1-CD2 4.38Å
156G72.3Confident80.3Confident22 Ų2267.4 Ų67.423%0.22739%0.386CS..  trans65.1-173.1176.300000114.5T154 K164T154-G156 PolarHBondContact O-N 3.24Å; G156-K164 PolarHBondContact O-NZ 3.28Å
157P74.1Confident80.6Confident118 Ų11870.3 Ų70.377%0.76640%0.401SS*.SBendtrans-89.3-9.8178.934.1-34.4000113.9I159P157-I159 VanDerWaalsContact C-N 3.28Å; P157-I159 PolarHBondContact O-N 2.99Å
158Q75Confident80.9Confident183 Ų18370.6 Ų70.686%0.85540%0.4SS*.SBendtrans-77.4-11.6-171.9-55-65.930.500114.1
159I80.6Confident81.1Confident48 Ų4871.2 Ų71.225%0.24641%0.411CS..SBendtrans-90.1136.5180-59.2-176000108.9L155 P157 L163 K164L155-I159 HydrophobicContact CB-CD1 3.96Å; L155-I159 HydrophobicContact CD2-CD1 3.71Å; L155-I159 HydrophobicContact CG-CD1 4.34Å; L155-I159 WeakPolarHBondContact O-CD1 3.21Å; P157-I159 VanDerWaalsContact C-N 3.28Å; P157-I159 PolarHBondContact O-N 2.99Å; I159-L163 HydrophobicContact CG2-CB 3.95Å; I159-L163 HydrophobicContact CG2-CD2 3.95Å; I159-L163 HydrophobicContact CG2-CG 3.9Å; I159-K164 HydrophobicContact CG2-CB 4.2Å
160S85.6Confident81.1Confident65 Ų6571.1 Ų71.146%0.45542%0.419SS..  trans-55.3141.4177.970.50000111A162 L163 K164S160-A162 PolarHBondContact O-N 3.25Å; S160-L163 PolarHBondContact O-N 3.45Å; S160-L163 VanDerWaalsContact O-N 3.17Å; S160-L163 VanDerWaalsContact OG-CB 3.3Å; S160-L163 WeakPolarHBondContact OG-CB 3.46Å; S160-L163 PolarHBondContact OG-N 3.21Å; S160-K164 WeakPolarHBondContact O-CB 3.35Å; S160-K164 PolarHBondContact O-N 3.21Å
161P86.4Confident81.2Confident94 Ų9471.2 Ų71.261%0.6142%0.415SS*.Hα-helixtrans-54.7-40.7-176.8-28.435000113.1K164 Y165P161-K164 WeakPolarHBondContact O-CB 3.49Å; P161-K164 PolarHBondContact O-N 3.35Å; P161-Y165 HydrophobicContact CB-CE2 4.37Å; P161-Y165 WeakPolarHBondContact O-CD2 3.43Å; P161-Y165 PolarHBondContact O-N 3.47Å
162A85.6Confident81.2Confident70 Ų7071.6 Ų71.658%0.57942%0.42SS*.Hα-helixtrans-61.6-50.3178.200000112.3S160 K164 Y165 V166S160-A162 PolarHBondContact O-N 3.25Å; A162-K164 VanDerWaalsContact C-N 3.3Å; A162-K164 PolarHBondContact O-N 3.17Å; A162-Y165 PolarHBondContact O-N 3.17Å; A162-V166 WeakPolarHBondContact O-CG2 3.4Å; A162-V166 PolarHBondContact O-N 2.89Å
163L83.3Confident81.3Confident90 Ų9073.4 Ų73.447%0.47143%0.431SS..Hα-helixtrans-63.7-38.7177.8-179.757.9000111.2I159 S160 V166 L167I159-L163 HydrophobicContact CG2-CB 3.95Å; I159-L163 HydrophobicContact CG2-CD2 3.95Å; I159-L163 HydrophobicContact CG2-CG 3.9Å; S160-L163 PolarHBondContact O-N 3.45Å; S160-L163 VanDerWaalsContact O-N 3.17Å; S160-L163 VanDerWaalsContact OG-CB 3.3Å; S160-L163 WeakPolarHBondContact OG-CB 3.46Å; S160-L163 PolarHBondContact OG-N 3.21Å; L163-V166 PolarHBondContact O-N 3.06Å; L163-L167 HydrophobicContact CD1-CD1 4.32Å; L163-L167 HydrophobicContact CD1-CG 4.13Å; L163-L167 HydrophobicContact CG-CD1 4.08Å; L163-L167 HydrophobicContact CG-CG 4.36Å; L163-L167 WeakPolarHBondContact O-CB 3.37Å; L163-L167 VanDerWaalsContact O-CG 3.28Å; L163-L167 WeakPolarHBondContact O-CG 3.4Å; L163-L167 PolarHBondContact O-N 3.13Å
164K83.7Confident81.2Confident48 Ų4871.5 Ų71.521%0.20941%0.413CS..Hα-helixtrans-59.2-48175.7-176173.7-178.1165.40111.7G156 I159 S160 P161 A162 L167 L168G156-K164 PolarHBondContact O-NZ 3.28Å; I159-K164 HydrophobicContact CG2-CB 4.2Å; S160-K164 WeakPolarHBondContact O-CB 3.35Å; S160-K164 PolarHBondContact O-N 3.21Å; P161-K164 WeakPolarHBondContact O-CB 3.49Å; P161-K164 PolarHBondContact O-N 3.35Å; A162-K164 VanDerWaalsContact C-N 3.3Å; A162-K164 PolarHBondContact O-N 3.17Å; K164-L167 PolarHBondContact O-N 3.37Å; K164-L168 HydrophobicContact CG-CD1 4.07Å; K164-L168 WeakPolarHBondContact O-CB 3.21Å; K164-L168 WeakPolarHBondContact O-CG 3.46Å; K164-L168 PolarHBondContact O-N 2.87Å
165Y85.1Confident81.1Confident170 Ų17069.9 Ų69.967%0.66740%0.403SS*.Hα-helixtrans-65.5-37.8177.7-72.3-61.4000112.6P161 A162 L168 A169P161-Y165 HydrophobicContact CB-CE2 4.37Å; P161-Y165 WeakPolarHBondContact O-CD2 3.43Å; P161-Y165 PolarHBondContact O-N 3.47Å; A162-Y165 PolarHBondContact O-N 3.17Å; Y165-L168 PolarHBondContact O-N 3.34Å; Y165-A169 WeakPolarHBondContact O-CB 3.22Å; Y165-A169 PolarHBondContact O-N 3.15Å
166V84.4Confident81.1Confident81 Ų8173.2 Ų73.249%0.49142%0.416SS..Hα-helixtrans-62.1-48.5174.4171.60000111A162 L163 L168 A169 L170A162-V166 WeakPolarHBondContact O-CG2 3.4Å; A162-V166 PolarHBondContact O-N 2.89Å; L163-V166 PolarHBondContact O-N 3.06Å; V166-L168 VanDerWaalsContact C-N 3.34Å; V166-L168 PolarHBondContact O-N 3.48Å; V166-A169 PolarHBondContact O-N 3.17Å; V166-L170 HydrophobicContact CG1-CD1 4Å; V166-L170 HydrophobicContact CG1-CG 4.43Å; V166-L170 WeakPolarHBondContact O-CG 3.48Å; V166-L170 PolarHBondContact O-N 2.98Å
167L82.9Confident81.6Confident62 Ų6276.2 Ų76.233%0.32543%0.426SS..Hα-helixtrans-61.5-41.8177.7-69.8174.4000111.9L155 L163 K164 F171L155-L167 HydrophobicContact CD1-CB 4.22Å; L155-L167 HydrophobicContact CD1-CD1 4.34Å; L155-L167 HydrophobicContact CD2-CD1 4.24Å; L163-L167 HydrophobicContact CD1-CD1 4.32Å; L163-L167 HydrophobicContact CD1-CG 4.13Å; L163-L167 HydrophobicContact CG-CD1 4.08Å; L163-L167 HydrophobicContact CG-CG 4.36Å; L163-L167 WeakPolarHBondContact O-CB 3.37Å; L163-L167 VanDerWaalsContact O-CG 3.28Å; L163-L167 WeakPolarHBondContact O-CG 3.4Å; L163-L167 PolarHBondContact O-N 3.13Å; K164-L167 PolarHBondContact O-N 3.37Å; L167-F171 WeakPolarHBondContact O-CB 3.46Å; L167-F171 PolarHBondContact O-N 3.37Å
168L83.3Confident81.7Confident22 Ų2271.7 Ų71.712%0.11540%0.396CS..Hα-helixtrans-65-41.1176.3-71.4174.3000111.8L148 L151 T152 L155 K164 Y165 V166 F171 A172L148-L168 HydrophobicContact CD2-CB 4.29Å; L148-L168 HydrophobicContact CD2-CD2 4.16Å; L148-L168 VanDerWaalsContact CD2-O 3.25Å; L148-L168 WeakPolarHBondContact CD2-O 3.33Å; L151-L168 HydrophobicContact CB-CD2 4.29Å; L151-L168 HydrophobicContact CD2-CD2 4.02Å; L151-L168 HydrophobicContact CG-CD2 4.12Å; T152-L168 VanDerWaalsContact OG1-CD2 3.32Å; T152-L168 WeakPolarHBondContact OG1-CD2 3.34Å; L155-L168 HydrophobicContact CD1-CD2 4.38Å; K164-L168 HydrophobicContact CG-CD1 4.07Å; K164-L168 WeakPolarHBondContact O-CB 3.21Å; K164-L168 WeakPolarHBondContact O-CG 3.46Å; K164-L168 PolarHBondContact O-N 2.87Å; Y165-L168 PolarHBondContact O-N 3.34Å; V166-L168 VanDerWaalsContact C-N 3.34Å; V166-L168 PolarHBondContact O-N 3.48Å; L168-F171 PolarHBondContact O-N 2.9Å; L168-A172 VanDerWaalsContact O-CB 3.3Å; L168-A172 WeakPolarHBondContact O-CB 3.43Å; L168-A172 PolarHBondContact O-N 3.24Å
169A82.9Confident81.7Confident55 Ų5565.1 Ų65.146%0.45536%0.363SS..Hα-helixtrans-65.2-47.3177.300000111.5Y165 V166 F171 A172 V173Y165-A169 WeakPolarHBondContact O-CB 3.22Å; Y165-A169 PolarHBondContact O-N 3.15Å; V166-A169 PolarHBondContact O-N 3.17Å; A169-F171 VanDerWaalsContact C-N 3.3Å; A169-F171 PolarHBondContact O-N 3.3Å; A169-A172 WeakPolarHBondContact O-CB 3.45Å; A169-A172 PolarHBondContact O-N 3.16Å; A169-V173 WeakPolarHBondContact O-CG2 3.38Å; A169-V173 PolarHBondContact O-N 2.86Å
170L82.3Confident81.6Confident113 Ų11366.5 Ų66.559%0.59237%0.37SS*.Hα-helixtrans-59.7-42.6176-70.6175.2000111.6V166 S174V166-L170 HydrophobicContact CG1-CD1 4Å; V166-L170 HydrophobicContact CG1-CG 4.43Å; V166-L170 WeakPolarHBondContact O-CG 3.48Å; V166-L170 PolarHBondContact O-N 2.98Å; L170-S174 WeakPolarHBondContact O-CB 3.49Å; L170-S174 PolarHBondContact O-N 3.31Å; L170-S174 PolarHBondContact O-OG 3.24Å
171F80.6Confident81.3Confident24 Ų2467.1 Ų67.111%0.10537%0.371CS..Hα-helixtrans-67.8-38.3175.9-177.2-102000112.8F68 A147 L148 L151 L167 L168 A169 S174 V175F68-F171 HydrophobicContact CB-CE2 4.23Å; F68-F171 AromaticContact CD1-CE2 3.39Å; F68-F171 HydrophobicContact CD1-CE2 3.39Å; F68-F171 AromaticContact CD1-CZ 3.35Å; F68-F171 HydrophobicContact CD1-CZ 3.35Å; F68-F171 HydrophobicContact CE1-CE1 4.43Å; F68-F171 AromaticContact CE1-CE2 3.93Å; F68-F171 HydrophobicContact CE1-CE2 3.93Å; F68-F171 AromaticContact CE1-CZ 3.46Å; F68-F171 HydrophobicContact CE1-CZ 3.46Å; F68-F171 VanDerWaalsContact CE1-CZ 3.46Å; F68-F171 AromaticContact CG-CE2 3.99Å; F68-F171 HydrophobicContact CG-CE2 3.99Å; F68-F171 HydrophobicContact CG-CZ 4.35Å; A147-F171 HydrophobicContact CB-CE1 3.83Å; A147-F171 HydrophobicContact CB-CZ 4.2Å; A147-F171 WeakPolarHBondContact O-CE1 3.32Å; L148-F171 HydrophobicContact CD2-CD1 3.9Å; L151-F171 HydrophobicContact CB-CD1 4.13Å; L151-F171 HydrophobicContact CB-CE1 4.04Å; L151-F171 HydrophobicContact CD2-CB 3.4Å; L151-F171 HydrophobicContact CD2-CD1 3.43Å; L151-F171 VanDerWaalsContact CD2-CD1 3.43Å; L151-F171 HydrophobicContact CD2-CD2 3.76Å; L151-F171 HydrophobicContact CD2-CE1 4.07Å; L151-F171 HydrophobicContact CD2-CE2 4.37Å; L151-F171 HydrophobicContact CD2-CG 3.23Å; L151-F171 HydrophobicContact CG-CD1 4.4Å; L151-F171 HydrophobicContact CG-CG 4.49Å; L167-F171 WeakPolarHBondContact O-CB 3.46Å; L167-F171 PolarHBondContact O-N 3.37Å; L168-F171 PolarHBondContact O-N 2.9Å; A169-F171 VanDerWaalsContact C-N 3.3Å; A169-F171 PolarHBondContact O-N 3.3Å; F171-S174 WeakPolarHBondContact CA-OG 3.43Å; F171-S174 PolarHBondContact O-N 2.92Å; F171-S174 PolarHBondContact O-OG 3.36Å; F171-V175 HydrophobicContact CD1-CG2 3.96Å; F171-V175 HydrophobicContact CD2-CG2 4.11Å; F171-V175 HydrophobicContact CE1-CG2 3.53Å; F171-V175 HydrophobicContact CE2-CG2 3.69Å; F171-V175 HydrophobicContact CG-CG2 4.23Å; F171-V175 HydrophobicContact CZ-CG2 3.37Å; F171-V175 WeakPolarHBondContact O-CB 3.33Å; F171-V175 VanDerWaalsContact O-CG2 3.27Å; F171-V175 WeakPolarHBondContact O-CG2 3.48Å; F171-V175 PolarHBondContact O-N 3.37Å
172A79.7Confident81Confident25 Ų2566.4 Ų66.421%0.20736%0.362CS..Hα-helixtrans-60.8-47.7175.700000110.7L148 L168 A169 F176L148-A172 HydrophobicContact CD1-CB 3.87Å; L148-A172 HydrophobicContact CD2-CB 3.75Å; L148-A172 HydrophobicContact CG-CB 4.24Å; L168-A172 VanDerWaalsContact O-CB 3.3Å; L168-A172 WeakPolarHBondContact O-CB 3.43Å; L168-A172 PolarHBondContact O-N 3.24Å; A169-A172 WeakPolarHBondContact O-CB 3.45Å; A169-A172 PolarHBondContact O-N 3.16Å; A172-F176 VanDerWaalsContact O-CB 3.26Å; A172-F176 WeakPolarHBondContact O-CB 3.36Å; A172-F176 PolarHBondContact O-N 3.1Å
173V82.6Confident80.7Confident87 Ų8764.4 Ų64.453%0.52734%0.339SS..Hα-helixtrans-62.3-46.4177.9172.30000110.3A169 F176 L177A169-V173 WeakPolarHBondContact O-CG2 3.38Å; A169-V173 PolarHBondContact O-N 2.86Å; V173-F176 PolarHBondContact O-N 3.49Å; V173-L177 HydrophobicContact CG1-CD1 3.82Å; V173-L177 HydrophobicContact CG1-CG 4.35Å; V173-L177 WeakPolarHBondContact O-CB 3.45Å; V173-L177 VanDerWaalsContact O-CG 3.29Å; V173-L177 WeakPolarHBondContact O-CG 3.42Å; V173-L177 PolarHBondContact O-N 2.86Å
174S77.8Confident80.7Confident43 Ų4363.1 Ų63.130%0.30134%0.336SS..Hα-helixtrans-63.7-48.7179.1720000111.5L170 F171 F176 L177 L178L170-S174 WeakPolarHBondContact O-CB 3.49Å; L170-S174 PolarHBondContact O-N 3.31Å; L170-S174 PolarHBondContact O-OG 3.24Å; F171-S174 WeakPolarHBondContact CA-OG 3.43Å; F171-S174 PolarHBondContact O-N 2.92Å; F171-S174 PolarHBondContact O-OG 3.36Å; S174-F176 VanDerWaalsContact C-N 3.3Å; S174-F176 PolarHBondContact O-N 2.75Å; S174-L177 PolarHBondContact O-N 2.89Å; S174-L178 WeakPolarHBondContact O-CB 3.39Å; S174-L178 WeakPolarHBondContact O-CG 3.47Å; S174-L178 PolarHBondContact O-N 3.45Å
175V75.9Confident80.5Confident11 Ų1165.9 Ų65.97%0.06736%0.357CS..Hα-helixtrans-60.2-40.8177.7171.90000111.3V144 A147 F171 R179V144-V175 HydrophobicContact CB-CG1 4.34Å; V144-V175 HydrophobicContact CG1-CG1 4.1Å; V144-V175 HydrophobicContact CG2-CG1 4.1Å; A147-V175 HydrophobicContact CB-CG1 4.3Å; A147-V175 HydrophobicContact CB-CG2 4.48Å; F171-V175 HydrophobicContact CD1-CG2 3.96Å; F171-V175 HydrophobicContact CD2-CG2 4.11Å; F171-V175 HydrophobicContact CE1-CG2 3.53Å; F171-V175 HydrophobicContact CE2-CG2 3.69Å; F171-V175 HydrophobicContact CG-CG2 4.23Å; F171-V175 HydrophobicContact CZ-CG2 3.37Å; F171-V175 WeakPolarHBondContact O-CB 3.33Å; F171-V175 VanDerWaalsContact O-CG2 3.27Å; F171-V175 WeakPolarHBondContact O-CG2 3.48Å; F171-V175 PolarHBondContact O-N 3.37Å; V175-R179 HydrophobicContact CG1-CG 4.21Å; V175-R179 VanDerWaalsContact O-CB 3.25Å; V175-R179 WeakPolarHBondContact O-CB 3.49Å; V175-R179 PolarHBondContact O-N 2.99Å
176F79.6Confident80.2Confident107 Ų10760 Ų6047%0.46934%0.339SS..Hα-helixtrans-62.8-51.7176.3179.6-95.3000111.6A172 V173 S174 L178 I180 V181A172-F176 VanDerWaalsContact O-CB 3.26Å; A172-F176 WeakPolarHBondContact O-CB 3.36Å; A172-F176 PolarHBondContact O-N 3.1Å; V173-F176 PolarHBondContact O-N 3.49Å; S174-F176 VanDerWaalsContact C-N 3.3Å; S174-F176 PolarHBondContact O-N 2.75Å; F176-L178 VanDerWaalsContact C-N 3.34Å; F176-L178 PolarHBondContact O-N 2.81Å; F176-I180 HydrophobicContact CD2-CB 4.06Å; F176-I180 HydrophobicContact CD2-CG1 3.88Å; F176-I180 HydrophobicContact CD2-CG2 4.43Å; F176-I180 HydrophobicContact CE2-CB 4.08Å; F176-I180 HydrophobicContact CE2-CG1 4.22Å; F176-I180 HydrophobicContact CE2-CG2 3.95Å; F176-I180 HydrophobicContact CZ-CG2 4.34Å; F176-I180 WeakPolarHBondContact O-CA 3.37Å; F176-I180 VanDerWaalsContact O-CB 3.23Å; F176-I180 WeakPolarHBondContact O-CB 3.49Å; F176-I180 PolarHBondContact O-N 3.19Å; F176-V181 HydrophobicContact CD1-CG2 4.14Å; F176-V181 HydrophobicContact CE1-CG2 3.73Å; F176-V181 HydrophobicContact CZ-CG2 4.37Å; F176-V181 PolarHBondContact O-N 3.48Å
177L81.5Confident79.9Confident84 Ų8460 Ų6044%0.4433%0.332SS..Iπ-helixtrans-59-46.5178.3-72.4172.9000111.5V173 S174 V181 L182V173-L177 HydrophobicContact CG1-CD1 3.82Å; V173-L177 HydrophobicContact CG1-CG 4.35Å; V173-L177 WeakPolarHBondContact O-CB 3.45Å; V173-L177 VanDerWaalsContact O-CG 3.29Å; V173-L177 WeakPolarHBondContact O-CG 3.42Å; V173-L177 PolarHBondContact O-N 2.86Å; S174-L177 PolarHBondContact O-N 2.89Å; L177-V181 HydrophobicContact CD2-CG2 4.35Å; L177-V181 WeakPolarHBondContact O-CB 3.43Å; L177-V181 PolarHBondContact O-N 3.4Å; L177-L182 WeakPolarHBondContact O-CB 3.38Å; L177-L182 WeakPolarHBondContact O-CG 3.49Å; L177-L182 PolarHBondContact O-N 3.49Å
178L76.8Confident79.7Confident24 Ų2465.1 Ų65.113%0.12635%0.352CS..Iπ-helixtrans-70.5-49.8-175.9-71.8-176.4000112.7T72 F73 S174 F176 L182 Y183T72-L178 HydrophobicContact CG2-CB 3.55Å; T72-L178 HydrophobicContact CG2-CD1 4.13Å; T72-L178 HydrophobicContact CG2-CD2 4.03Å; T72-L178 HydrophobicContact CG2-CG 4.07Å; F73-L178 HydrophobicContact CE1-CD2 3.95Å; F73-L178 HydrophobicContact CE2-CD1 4.03Å; F73-L178 HydrophobicContact CE2-CD2 3.68Å; F73-L178 HydrophobicContact CZ-CD1 4.41Å; F73-L178 HydrophobicContact CZ-CD2 3.22Å; F73-L178 HydrophobicContact CZ-CG 4.46Å; S174-L178 WeakPolarHBondContact O-CB 3.39Å; S174-L178 WeakPolarHBondContact O-CG 3.47Å; S174-L178 PolarHBondContact O-N 3.45Å; F176-L178 VanDerWaalsContact C-N 3.34Å; F176-L178 PolarHBondContact O-N 2.81Å; L178-L182 HydrophobicContact CD2-CD1 3.97Å; L178-Y183 WeakPolarHBondContact O-CB 3.19Å; L178-Y183 PolarHBondContact O-N 3.15Å
179R75.5Confident79.5Confident44 Ų4471.5 Ų71.517%0.16639%0.385CS..Iπ-helixtrans-90.4-28.4-171.8-61.8-165.4174.1-140.7-16.4114.4E71 V175 Y183E71-R179 IonicContact OE2-CZ 2.68Å; E71-R179 IonicContact OE2-NH2 3.59Å; E71-R179 PolarHBondContact OE2-NH2 2.94Å; V175-R179 HydrophobicContact CG1-CG 4.21Å; V175-R179 VanDerWaalsContact O-CB 3.25Å; V175-R179 WeakPolarHBondContact O-CB 3.49Å; V175-R179 PolarHBondContact O-N 2.99Å; R179-Y183 WeakPolarHBondContact O-CB 3.19Å
180I78.3Confident79.4Confident78 Ų7870.7 Ų70.740%0.437%0.371SS..Iπ-helixtrans-101.8-44.7-175.7-51.1-57.9000110.8V144 F176 P184V144-I180 HydrophobicContact CG2-CD1 4.34Å; V144-I180 HydrophobicContact CG2-CG1 4.18Å; F176-I180 HydrophobicContact CD2-CB 4.06Å; F176-I180 HydrophobicContact CD2-CG1 3.88Å; F176-I180 HydrophobicContact CD2-CG2 4.43Å; F176-I180 HydrophobicContact CE2-CB 4.08Å; F176-I180 HydrophobicContact CE2-CG1 4.22Å; F176-I180 HydrophobicContact CE2-CG2 3.95Å; F176-I180 HydrophobicContact CZ-CG2 4.34Å; F176-I180 WeakPolarHBondContact O-CA 3.37Å; F176-I180 VanDerWaalsContact O-CB 3.23Å; F176-I180 WeakPolarHBondContact O-CB 3.49Å; F176-I180 PolarHBondContact O-N 3.19Å; I180-P184 WeakPolarHBondContact O-CD 3.46Å; I180-P184 WeakPolarHBondContact O-CG 3.38Å
181V80.1Confident79.6Confident77 Ų7769.1 Ų69.147%0.46736%0.36SS..Iπ-helixtrans-85.8-51.6-175.9-175.70000111.7F176 L177F176-V181 HydrophobicContact CD1-CG2 4.14Å; F176-V181 HydrophobicContact CE1-CG2 3.73Å; F176-V181 HydrophobicContact CZ-CG2 4.37Å; F176-V181 PolarHBondContact O-N 3.48Å; L177-V181 HydrophobicContact CD2-CG2 4.35Å; L177-V181 WeakPolarHBondContact O-CB 3.43Å; L177-V181 PolarHBondContact O-N 3.4Å
182L78.6Confident80Confident80 Ų8069 Ų6942%0.41936%0.36SS..Iπ-helixtrans-85.3-39.7-172-70.4168.8000113.4L177 L178 P184 V185 T186L177-L182 WeakPolarHBondContact O-CB 3.38Å; L177-L182 WeakPolarHBondContact O-CG 3.49Å; L177-L182 PolarHBondContact O-N 3.49Å; L178-L182 HydrophobicContact CD2-CD1 3.97Å; L182-P184 VanDerWaalsContact C-CD 3.45Å; L182-V185 PolarHBondContact O-N 3.35Å; L182-T186 PolarHBondContact O-N 2.91Å; L182-T186 PolarHBondContact O-OG1 2.68Å
183Y80.8Confident80.5Confident28 Ų2867.8 Ų67.811%0.1135%0.35CS..Hα-helixtrans-54.5-40.2-175.9-173.5-113.1000115.6L178 R179 V185 T186 K187 N192 D195L178-Y183 WeakPolarHBondContact O-CB 3.19Å; L178-Y183 PolarHBondContact O-N 3.15Å; R179-Y183 WeakPolarHBondContact O-CB 3.19Å; Y183-V185 PolarHBondContact O-N 3.15Å; Y183-T186 WeakPolarHBondContact CA-OG1 3.45Å; Y183-T186 PolarHBondContact O-N 3.03Å; Y183-K187 HydrophobicContact CD2-CB 4.27Å; Y183-K187 HydrophobicContact CE1-CB 4.11Å; Y183-K187 HydrophobicContact CE2-CB 3.77Å; Y183-K187 VanDerWaalsContact O-CB 3.27Å; Y183-K187 WeakPolarHBondContact O-CB 3.35Å; Y183-K187 WeakPolarHBondContact O-CG 3.44Å; Y183-K187 PolarHBondContact O-N 3.26Å; Y183-N192 WeakPolarHBondContact CE1-ND2 3.29Å; Y183-N192 HydrophobicContact CE2-CB 3.87Å; Y183-N192 VanDerWaalsContact CZ-CG 3.5Å; Y183-N192 VanDerWaalsContact OH-CG 3.23Å; Y183-N192 PolarHBondContact OH-N 2.85Å; Y183-N192 VanDerWaalsContact OH-N 3.17Å; Y183-N192 PolarHBondContact OH-ND2 3.49Å; Y183-N192 PolarHBondContact OH-OD1 3.36Å; Y183-D195 WeakPolarHBondContact CE1-OD2 3.33Å; Y183-D195 VanDerWaalsContact CZ-OD2 3.29Å; Y183-D195 WeakPolarHBondContact OH-CB 3.39Å; Y183-D195 PolarHBondContact OH-OD2 3.02Å
184P82.1Confident80.9Confident63 Ų6363.9 Ų63.941%0.40933%0.326SS..Hα-helixtrans-55.7-27.7176.3-27.235.9000114.2I180 L182 K187 F188I180-P184 WeakPolarHBondContact O-CD 3.46Å; I180-P184 WeakPolarHBondContact O-CG 3.38Å; L182-P184 VanDerWaalsContact C-CD 3.45Å; P184-K187 WeakPolarHBondContact O-CE 3.38Å; P184-F188 WeakPolarHBondContact O-CE2 3.44Å
185V80.3Confident81.7Confident106 Ų10663 Ų6364%0.64232%0.318SS*.Hα-helixtrans-92.4-43.3177.5-1750000110.9L182 Y183 K187 F188L182-V185 PolarHBondContact O-N 3.35Å; Y183-V185 PolarHBondContact O-N 3.15Å; V185-K187 VanDerWaalsContact C-N 3.35Å; V185-K187 PolarHBondContact O-N 3.16Å; V185-F188 WeakPolarHBondContact O-CD2 3.41Å
186T78.3Confident82.5Confident47 Ų4763.4 Ų63.429%0.28832%0.322SS..Hα-helixtrans-76.4-19.8-175.562.60000113.7L182 Y183 F188 I189 H190L182-T186 PolarHBondContact O-N 2.91Å; L182-T186 PolarHBondContact O-OG1 2.68Å; Y183-T186 WeakPolarHBondContact CA-OG1 3.45Å; Y183-T186 PolarHBondContact O-N 3.03Å; T186-F188 PolarHBondContact O-N 3.47Å; T186-I189 WeakPolarHBondContact O-CA 3.47Å; T186-I189 PolarHBondContact O-N 2.76Å; T186-H190 PolarHBondContact O-N 2.72Å
187K78.3Confident83.2Confident81 Ų8158.4 Ų58.435%0.35230%0.301SS..THydrogen-bonded Turntrans-57.2-23.1-179.369.5178.9-176.5175.50114.9Y183 P184 V185 I189 H190 K191Y183-K187 HydrophobicContact CD2-CB 4.27Å; Y183-K187 HydrophobicContact CE1-CB 4.11Å; Y183-K187 HydrophobicContact CE2-CB 3.77Å; Y183-K187 VanDerWaalsContact O-CB 3.27Å; Y183-K187 WeakPolarHBondContact O-CB 3.35Å; Y183-K187 WeakPolarHBondContact O-CG 3.44Å; Y183-K187 PolarHBondContact O-N 3.26Å; P184-K187 WeakPolarHBondContact O-CE 3.38Å; V185-K187 VanDerWaalsContact C-N 3.35Å; V185-K187 PolarHBondContact O-N 3.16Å; K187-I189 VanDerWaalsContact C-N 3.28Å; K187-H190 WeakPolarHBondContact CA-O 3.48Å; K187-K191 WeakPolarHBondContact O-CG 3.46Å
188F79.4Confident83.9Confident168 Ų16858.2 Ų58.274%0.73729%0.294SS*.THydrogen-bonded Turntrans-74.2-22.3176.4-61.4-72.6000112.5P184 V185 T186P184-F188 WeakPolarHBondContact O-CE2 3.44Å; V185-F188 WeakPolarHBondContact O-CD2 3.41Å; T186-F188 PolarHBondContact O-N 3.47Å
189I78.6Confident84.8Confident157 Ų15761.1 Ų61.181%0.80531%0.307SS*.THydrogen-bonded Turntrans-99-44176.5-57.4172.9000109.8T186 K187T186-I189 WeakPolarHBondContact O-CA 3.47Å; T186-I189 PolarHBondContact O-N 2.76Å; K187-I189 VanDerWaalsContact C-N 3.28Å
190H81.1Confident85.7Confident37 Ų3767.3 Ų67.317%0.17133%0.33CS..  trans-142116-175.8-168.283.6000111.9E71 G74 R113 Y114 T186 K187E71-H190 PolarHBondContact O-NE2 3.34Å; G74-H190 WeakPolarHBondContact CA-CE1 3.37Å; G74-H190 WeakPolarHBondContact CA-NE2 3.25Å; R113-H190 PolarHBondContact NH2-CE1 3.25Å; R113-H190 PolarHBondContact NH2-NE2 2.86Å; Y114-H190 PolarHBondContact OH-CE1 2.94Å; Y114-H190 PolarHBondContact OH-NE2 3.18Å; T186-H190 PolarHBondContact O-N 2.72Å; K187-H190 WeakPolarHBondContact CA-O 3.48Å
191K86.7Confident86.6Confident81 Ų8164.5 Ų64.535%0.35232%0.318SS..  trans-84.6139.9174.8-68.9173.1-175.9149.50110.4K187 D195 A196 E199K187-K191 WeakPolarHBondContact O-CG 3.46Å; K191-D195 HydrophobicContact CB-CB 4.29Å; K191-A196 HydrophobicContact CB-CB 3.96Å; K191-E199 VanDerWaalsContact CE-CD 3.43Å; K191-E199 VanDerWaalsContact CE-OE1 3.26Å; K191-E199 WeakPolarHBondContact CE-OE1 3.48Å; K191-E199 WeakPolarHBondContact CE-OE2 3.4Å; K191-E199 IonicContact NZ-OE1 3.73Å; K191-E199 IonicContact NZ-OE2 2.56Å; K191-E199 PolarHBondContact NZ-OE2 2.83Å
192N87.6Confident87.3Confident20 Ų2060.9 Ų60.911%0.10730%0.295CS..  trans-68.9172.3171.76829.4000111.1Y183 Y194 D195 A196Y183-N192 WeakPolarHBondContact CE1-ND2 3.29Å; Y183-N192 HydrophobicContact CE2-CB 3.87Å; Y183-N192 VanDerWaalsContact CZ-CG 3.5Å; Y183-N192 VanDerWaalsContact OH-CG 3.23Å; Y183-N192 PolarHBondContact OH-N 2.85Å; Y183-N192 VanDerWaalsContact OH-N 3.17Å; Y183-N192 PolarHBondContact OH-ND2 3.49Å; Y183-N192 PolarHBondContact OH-OD1 3.36Å; N192-Y194 VanDerWaalsContact C-N 3.28Å; N192-Y194 PolarHBondContact O-N 2.79Å; N192-Y194 WeakPolarHBondContact OD1-CB 3.37Å; N192-Y194 PolarHBondContact OD1-N 3.25Å; N192-Y194 VanDerWaalsContact OD1-N 3.13Å; N192-D195 PolarHBondContact O-N 3.37Å; N192-D195 PolarHBondContact OD1-N 3.45Å; N192-A196 WeakPolarHBondContact O-CB 3.45Å; N192-A196 PolarHBondContact O-N 3.05Å
193H90.4Very high88Confident0 Ų061.3 Ų61.30%031%0.31CS..Hα-helixtrans-49.7-45178.568.7-42.2000113.8E71 N106 F109 M110 R113 G140 V197E71-H193 WeakPolarHBondContact OE1-CB 3.36Å; E71-H193 IonicContact OE1-CE1 2.91Å; E71-H193 IonicContact OE1-CG 2.72Å; E71-H193 PolarHBondContact OE1-N 2.94Å; E71-H193 IonicContact OE1-ND1 3.76Å; E71-H193 PolarHBondContact OE1-ND1 2.96Å; N106-H193 PolarHBondContact ND2-NE2 3.31Å; N106-H193 PolarHBondContact OD1-NE2 3.15Å; F109-H193 HydrophobicContact CD1-CB 4.07Å; F109-H193 AromaticContact CD1-CD2 3.67Å; M110-H193 HydrophobicContact CB-CB 4.38Å; M110-H193 HydrophobicContact CG-CB 3.85Å; R113-H193 HydrophobicContact CB-CB 4.21Å; R113-H193 HydrophobicContact CG-CB 4.05Å; G140-H193 PolarHBondContact O-CE1 2.71Å; G140-H193 PolarHBondContact O-NE2 3.13Å; H193-V197 WeakPolarHBondContact O-CG2 3.37Å; H193-V197 PolarHBondContact O-N 3.07Å
194Y92.4Very high88.8Confident6 Ų661.2 Ų61.22%0.02431%0.31CS..Hα-helixtrans-66.8-53.7-176.8-172.7-80.7000111.2P139 N192 R198 D221 F225P139-Y194 HydrophobicContact CB-CD2 3.81Å; P139-Y194 HydrophobicContact CB-CE2 4.4Å; P139-Y194 HydrophobicContact CG-CD2 3.9Å; P139-Y194 HydrophobicContact CG-CE2 4.07Å; N192-Y194 VanDerWaalsContact C-N 3.28Å; N192-Y194 PolarHBondContact O-N 2.79Å; N192-Y194 WeakPolarHBondContact OD1-CB 3.37Å; N192-Y194 PolarHBondContact OD1-N 3.25Å; N192-Y194 VanDerWaalsContact OD1-N 3.13Å; Y194-R198 WeakPolarHBondContact O-CB 3.16Å; Y194-R198 PolarHBondContact O-N 3.32Å; Y194-D221 HydrophobicContact CE2-CB 4.32Å; Y194-D221 PolarHBondContact OH-O 2.99Å; Y194-F225 HydrophobicContact CD2-CD2 4.33Å; Y194-F225 HydrophobicContact CE1-CD2 4.44Å; Y194-F225 HydrophobicContact CE2-CB 3.86Å; Y194-F225 HydrophobicContact CE2-CD2 4.05Å; Y194-F225 HydrophobicContact CE2-CG 4.34Å; Y194-F225 PolarHBondContact OH-N 3.35Å
195D92.6Very high89.5Confident23 Ų2359.3 Ų59.312%0.12330%0.298CS..Hα-helixtrans-71.3-38.2-176.6-71.1-25.8000111.7Y183 K191 N192 R198 E199Y183-D195 WeakPolarHBondContact CE1-OD2 3.33Å; Y183-D195 VanDerWaalsContact CZ-OD2 3.29Å; Y183-D195 WeakPolarHBondContact OH-CB 3.39Å; Y183-D195 PolarHBondContact OH-OD2 3.02Å; K191-D195 HydrophobicContact CB-CB 4.29Å; N192-D195 PolarHBondContact O-N 3.37Å; N192-D195 PolarHBondContact OD1-N 3.45Å; D195-R198 PolarHBondContact O-N 2.87Å; D195-R198 IonicContact OD1-CZ 3.25Å; D195-R198 IonicContact OD1-NE 2.66Å; D195-R198 IonicContact OD1-NH1 3.8Å; D195-R198 IonicContact OD1-NH2 3.58Å; D195-R198 PolarHBondContact OD1-NH2 3.49Å; D195-E199 WeakPolarHBondContact O-CB 3.49Å; D195-E199 WeakPolarHBondContact O-CG 3.17Å; D195-E199 PolarHBondContact O-N 3.49Å
196A92.8Very high90.4Very high20 Ų2054.2 Ų54.217%0.16527%0.267CS..Hα-helixtrans-60.4-51.8179.800000111.8K191 N192 E199 R200K191-A196 HydrophobicContact CB-CB 3.96Å; N192-A196 WeakPolarHBondContact O-CB 3.45Å; N192-A196 PolarHBondContact O-N 3.05Å; A196-E199 PolarHBondContact O-N 2.88Å; A196-R200 PolarHBondContact O-N 2.91Å
197V95.6Very high91.4Very high2 Ų252.6 Ų52.61%0.01226%0.256CS..Hα-helixtrans-72.3-36.3179.8-173.20000110.9F109 R113 H193 E199 R200 P201 F225F109-V197 HydrophobicContact CE1-CB 3.99Å; F109-V197 HydrophobicContact CE1-CG1 4.46Å; F109-V197 HydrophobicContact CE1-CG2 3.78Å; F109-V197 HydrophobicContact CZ-CB 4.04Å; F109-V197 HydrophobicContact CZ-CG1 4.02Å; F109-V197 HydrophobicContact CZ-CG2 4.1Å; R113-V197 HydrophobicContact CB-CG2 3.6Å; H193-V197 WeakPolarHBondContact O-CG2 3.37Å; H193-V197 PolarHBondContact O-N 3.07Å; V197-E199 VanDerWaalsContact C-N 3.26Å; V197-E199 PolarHBondContact O-N 3.37Å; V197-R200 CarbonylContact O-C 3.39Å; V197-P201 WeakPolarHBondContact O-CA 3.4Å; V197-P201 WeakPolarHBondContact O-CB 3.33Å; V197-P201 WeakPolarHBondContact O-CD 3.08Å; V197-F225 HydrophobicContact CB-CE2 4.26Å; V197-F225 HydrophobicContact CB-CZ 4.19Å; V197-F225 HydrophobicContact CG1-CE2 4.39Å; V197-F225 HydrophobicContact CG1-CZ 3.83Å
198R95.9Very high92.3Very high81 Ų8148.8 Ų48.831%0.30624%0.239SC..Hα-helixtrans-61.7-38.8174.8-174.2-175.967.8-167.8-9.3111.2Y194 D195 F225 A228 K232Y194-R198 WeakPolarHBondContact O-CB 3.16Å; Y194-R198 PolarHBondContact O-N 3.32Å; D195-R198 PolarHBondContact O-N 2.87Å; D195-R198 IonicContact OD1-CZ 3.25Å; D195-R198 IonicContact OD1-NE 2.66Å; D195-R198 IonicContact OD1-NH1 3.8Å; D195-R198 IonicContact OD1-NH2 3.58Å; D195-R198 PolarHBondContact OD1-NH2 3.49Å; R198-F225 HydrophobicContact CB-CD2 3.97Å; R198-F225 HydrophobicContact CB-CE2 3.84Å; R198-F225 HydrophobicContact CG-CD2 4.41Å; R198-A228 HydrophobicContact CG-CB 3.65Å; R198-K232 PolarHBondContact O-NZ 2.88Å
199E94.8Very high93.3Very high85 Ų8540.8 Ų40.840%0.39720%0.204SC..Hα-helixtrans-77.2-40.1-177.6-76.5-171.6-144.200113.4K191 D195 A196 V197 K232K191-E199 VanDerWaalsContact CE-CD 3.43Å; K191-E199 VanDerWaalsContact CE-OE1 3.26Å; K191-E199 WeakPolarHBondContact CE-OE1 3.48Å; K191-E199 WeakPolarHBondContact CE-OE2 3.4Å; K191-E199 IonicContact NZ-OE1 3.73Å; K191-E199 IonicContact NZ-OE2 2.56Å; K191-E199 PolarHBondContact NZ-OE2 2.83Å; D195-E199 WeakPolarHBondContact O-CB 3.49Å; D195-E199 WeakPolarHBondContact O-CG 3.17Å; D195-E199 PolarHBondContact O-N 3.49Å; A196-E199 PolarHBondContact O-N 2.88Å; V197-E199 VanDerWaalsContact C-N 3.26Å; V197-E199 PolarHBondContact O-N 3.37Å; E199-K232 PolarHBondContact O-NZ 3.31Å
200R95.4Very high94.2Very high173 Ų17334 Ų3465%0.65317%0.169SC*.SBendtrans-130.470.7178-159.5179.1-175.9-178.70.5109.9A196 V197A196-R200 PolarHBondContact O-N 2.91Å; V197-R200 CarbonylContact O-C 3.39Å
201P96.4Very high95Very high20 Ų2032.2 Ų32.213%0.1316%0.16CC..  trans-67.1152.6-17829.7-35.5000110.2V197 V229 K232 V234V197-P201 WeakPolarHBondContact O-CA 3.4Å; V197-P201 WeakPolarHBondContact O-CB 3.33Å; V197-P201 WeakPolarHBondContact O-CD 3.08Å; P201-V229 HydrophobicContact CB-CG1 3.95Å; P201-V229 HydrophobicContact CB-CG2 4.16Å; P201-V229 HydrophobicContact CG-CG1 4.43Å; P201-K232 HydrophobicContact CG-CB 4.12Å; P201-K232 HydrophobicContact CG-CD 3.79Å; P201-V234 HydrophobicContact CB-CG2 4.1Å; P201-V234 HydrophobicContact CG-CG2 3.93Å
202P95.3Very high95.5Very high0 Ų035.5 Ų35.50%017%0.171CC..  trans-70.1163172.532.6-35.6000112V116 H120 W204 H206 V234V116-P202 HydrophobicContact CG1-CB 4.06Å; V116-P202 HydrophobicContact CG1-CG 4.24Å; V116-P202 HydrophobicContact CG2-CB 4.36Å; V116-P202 HydrophobicContact CG2-CG 4.05Å; H120-P202 WeakPolarHBondContact NE2-CA 3.41Å; P202-W204 VanDerWaalsContact C-N 3.33Å; P202-W204 HydrophobicContact CB-CD2 3.59Å; P202-W204 HydrophobicContact CB-CE3 3.68Å; P202-W204 HydrophobicContact CB-CG 4.4Å; P202-W204 HydrophobicContact CB-CH2 3.32Å; P202-W204 HydrophobicContact CB-CZ2 3.25Å; P202-W204 HydrophobicContact CB-CZ3 3.55Å; P202-W204 HydrophobicContact CG-CD2 4.09Å; P202-W204 HydrophobicContact CG-CH2 4.2Å; P202-W204 HydrophobicContact CG-CZ2 3.62Å; P202-W204 PolarHBondContact O-N 3.46Å; P202-H206 VanDerWaalsContact CG-CE1 3.46Å; P202-H206 WeakPolarHBondContact CG-CE1 3.22Å; P202-V234 WeakPolarHBondContact O-CG1 3.47Å; P202-V234 WeakPolarHBondContact O-CG2 2.97Å
203A94.1Very high95.9Very high89 Ų8936.1 Ų36.174%0.73618%0.178SC*.SBendtrans-78.4-12.9-175.700000114.7
204W96.8Very high96.1Very high26 Ų2636.5 Ų36.510%0.09818%0.18CC..SBendtrans-89.2154.4-178.757.580.4000112.2Y112 V116 L119 V130 P202 V234Y112-W204 WeakPolarHBondContact OH-CZ2 3.44Å; Y112-W204 PolarHBondContact OH-NE1 3.36Å; V116-W204 HydrophobicContact CG2-CH2 4.39Å; V116-W204 HydrophobicContact CG2-CZ2 3.92Å; L119-W204 HydrophobicContact CB-CH2 4.08Å; L119-W204 HydrophobicContact CD1-CH2 3.42Å; L119-W204 VanDerWaalsContact CD1-CH2 3.42Å; L119-W204 HydrophobicContact CD1-CZ2 4Å; L119-W204 HydrophobicContact CD1-CZ3 4.25Å; L119-W204 HydrophobicContact CG-CH2 4.37Å; V130-W204 HydrophobicContact CB-CD2 3.75Å; V130-W204 HydrophobicContact CB-CE3 3.61Å; V130-W204 HydrophobicContact CB-CG 4.28Å; V130-W204 HydrophobicContact CB-CH2 4.43Å; V130-W204 HydrophobicContact CB-CZ3 3.98Å; V130-W204 HydrophobicContact CG1-CB 4.41Å; V130-W204 HydrophobicContact CG1-CD2 3.39Å; V130-W204 VanDerWaalsContact CG1-CE2 3.49Å; V130-W204 HydrophobicContact CG1-CE3 3.82Å; V130-W204 HydrophobicContact CG1-CG 3.69Å; V130-W204 HydrophobicContact CG1-CH2 4.41Å; V130-W204 HydrophobicContact CG1-CZ2 4.01Å; V130-W204 HydrophobicContact CG1-CZ3 4.32Å; V130-W204 HydrophobicContact CG2-CE3 4.22Å; V130-W204 HydrophobicContact CG2-CH2 4.27Å; V130-W204 HydrophobicContact CG2-CZ3 4.07Å; P202-W204 VanDerWaalsContact C-N 3.33Å; P202-W204 HydrophobicContact CB-CD2 3.59Å; P202-W204 HydrophobicContact CB-CE3 3.68Å; P202-W204 HydrophobicContact CB-CG 4.4Å; P202-W204 HydrophobicContact CB-CH2 3.32Å; P202-W204 HydrophobicContact CB-CZ2 3.25Å; P202-W204 HydrophobicContact CB-CZ3 3.55Å; P202-W204 HydrophobicContact CG-CD2 4.09Å; P202-W204 HydrophobicContact CG-CH2 4.2Å; P202-W204 HydrophobicContact CG-CZ2 3.62Å; P202-W204 PolarHBondContact O-N 3.46Å; W204-V234 WeakPolarHBondContact O-CG1 3.28Å
205P97.9Very high96Very high23 Ų2341.2 Ų41.215%0.14920%0.203CC..  trans-65.9148.2-176.627.3-38.2000113.9L131 G132 A133 P235 F264L131-P205 VanDerWaalsContact O-CD 3.32Å; L131-P205 WeakPolarHBondContact O-CD 3.1Å; L131-P205 WeakPolarHBondContact O-CG 3.48Å; G132-P205 CarbonylContact C-O 3.51Å; G132-P205 VanDerWaalsContact CA-O 3.26Å; G132-P205 WeakPolarHBondContact CA-O 3.37Å; A133-P205 PolarHBondContact N-O 3.29Å; P205-P235 VanDerWaalsContact CA-O 3.22Å; P205-P235 WeakPolarHBondContact CA-O 3.15Å; P205-P235 HydrophobicContact CB-CB 4.02Å; P205-P235 HydrophobicContact CB-CG 4.35Å; P205-F264 HydrophobicContact CB-CE2 4.18Å; P205-F264 HydrophobicContact CB-CZ 4.02Å; P205-F264 HydrophobicContact CG-CE2 4.44Å; P205-F264 HydrophobicContact CG-CZ 4.19Å
206H98.3Very high95.8Very high0 Ų041 Ų410%020%0.202CC..EExtended strand (participates in β ladder)trans-110.4143.4170.4-68.495.8000111.9Y112 A133 P202 L208 P235 V236 H237Y112-H206 AromaticContact CE1-NE2 3.83Å; Y112-H206 AromaticContact CZ-NE2 3.91Å; Y112-H206 PolarHBondContact OH-NE2 2.93Å; A133-H206 CarbonylContact O-C 3.59Å; A133-H206 WeakPolarHBondContact O-CA 3.49Å; P202-H206 VanDerWaalsContact CG-CE1 3.46Å; P202-H206 WeakPolarHBondContact CG-CE1 3.22Å; H206-L208 HydrophobicContact CB-CD2 4.15Å; H206-P235 PolarHBondContact N-O 3.01Å; H206-V236 CarbonylContact O-C 3.6Å; H206-V236 WeakPolarHBondContact O-CA 3Å; H206-H237 PolarHBondContact O-N 3.38Å
207F98.7Very high95.7Very high13 Ų1340.3 Ų40.36%0.05720%0.195CC..EExtended strand (participates in β ladder)trans-120.7107.4166.9-173.8-163.4000111A133 V134 V135 L209 H237 C239 K260 F264A133-F207 PolarHBondContact O-N 2.85Å; V134-F207 WeakPolarHBondContact CA-O 3.46Å; V134-F207 HydrophobicContact CG2-CB 4.48Å; V135-F207 PolarHBondContact N-O 3.38Å; F207-L209 HydrophobicContact CD1-CD2 4.14Å; F207-L209 HydrophobicContact CD2-CD2 4.09Å; F207-L209 HydrophobicContact CE1-CD2 3.78Å; F207-L209 HydrophobicContact CE2-CD2 3.72Å; F207-L209 HydrophobicContact CG-CD2 4.3Å; F207-L209 HydrophobicContact CZ-CD2 3.54Å; F207-H237 WeakPolarHBondContact CA-O 3.48Å; F207-H237 HydrophobicContact CB-CB 4.37Å; F207-H237 HydrophobicContact CD2-CB 3.56Å; F207-H237 HydrophobicContact CE2-CB 4.08Å; F207-H237 HydrophobicContact CG-CB 4.15Å; F207-C239 HydrophobicContact CE2-CB 3.81Å; F207-C239 HydrophobicContact CZ-CB 3.95Å; F207-K260 HydrophobicContact CE1-CB 3.78Å; F207-K260 HydrophobicContact CE1-CD 4.42Å; F207-K260 WeakPolarHBondContact CE1-O 3.35Å; F207-K260 HydrophobicContact CZ-CB 4.03Å; F207-K260 HydrophobicContact CZ-CD 4.04Å; F207-K260 HydrophobicContact CZ-CG 4.34Å; F207-F264 HydrophobicContact CB-CD1 3.43Å; F207-F264 VanDerWaalsContact CB-CD1 3.43Å; F207-F264 HydrophobicContact CB-CD2 3.96Å; F207-F264 HydrophobicContact CB-CE1 3.43Å; F207-F264 VanDerWaalsContact CB-CE1 3.43Å; F207-F264 HydrophobicContact CB-CE2 3.95Å; F207-F264 HydrophobicContact CB-CG 3.73Å; F207-F264 HydrophobicContact CB-CZ 3.7Å; F207-F264 HydrophobicContact CD1-CB 3.57Å; F207-F264 AromaticContact CD1-CD1 3.87Å; F207-F264 HydrophobicContact CD1-CD1 3.87Å; F207-F264 HydrophobicContact CD1-CD2 4.27Å; F207-F264 AromaticContact CD1-CG 3.64Å; F207-F264 HydrophobicContact CD1-CG 3.64Å; F207-F264 HydrophobicContact CE1-CB 4.12Å; F207-F264 HydrophobicContact CG-CB 4.45Å; F207-F264 HydrophobicContact CG-CD1 4.14Å; F207-F264 HydrophobicContact CG-CD2 4.36Å; F207-F264 HydrophobicContact CG-CG 4.06Å
208L98.7Very high95.6Very high0 Ų045.8 Ų45.80%022%0.216CC..EExtended strand (participates in β ladder)trans-89.9114.4-175.5-48.8-178.7000110.6V135 H206 I222 F225 A226 V236 H237 S238 C239V135-L208 HydrophobicContact CB-CD2 3.68Å; V135-L208 HydrophobicContact CG1-CD2 4.34Å; V135-L208 HydrophobicContact CG2-CD2 3.92Å; V135-L208 WeakPolarHBondContact O-CA 3.22Å; H206-L208 HydrophobicContact CB-CD2 4.15Å; L208-I222 HydrophobicContact CB-CG2 3.86Å; L208-I222 HydrophobicContact CD1-CG2 3.7Å; L208-I222 HydrophobicContact CG-CG2 4.34Å; L208-F225 HydrophobicContact CD1-CD1 4.32Å; L208-A226 HydrophobicContact CD1-CB 3.55Å; L208-V236 HydrophobicContact CD1-CG1 3.79Å; L208-V236 HydrophobicContact CG-CG1 3.95Å; L208-H237 PolarHBondContact N-O 3.42Å; L208-S238 CarbonylContact O-C 3.55Å; L208-S238 WeakPolarHBondContact O-CA 3.48Å; L208-C239 PolarHBondContact O-N 3.21Å
209L98.7Very high95.6Very high0 Ų044 Ų440%021%0.211CC..EExtended strand (participates in β ladder)trans-100.9124174.7-55.6-178.1000108.2V134 V135 S137 F207 C239 F241 Y257V134-L209 HydrophobicContact CG1-CD1 3.58Å; V134-L209 HydrophobicContact CG1-CG 3.99Å; V135-L209 PolarHBondContact O-N 2.93Å; S137-L209 PolarHBondContact N-O 3.23Å; F207-L209 HydrophobicContact CD1-CD2 4.14Å; F207-L209 HydrophobicContact CD2-CD2 4.09Å; F207-L209 HydrophobicContact CE1-CD2 3.78Å; F207-L209 HydrophobicContact CE2-CD2 3.72Å; F207-L209 HydrophobicContact CG-CD2 4.3Å; F207-L209 HydrophobicContact CZ-CD2 3.54Å; L209-C239 HydrophobicContact CD2-CB 3.81Å; L209-F241 HydrophobicContact CB-CE2 4.09Å; L209-F241 HydrophobicContact CD2-CE2 4.11Å; L209-F241 HydrophobicContact CG-CE2 4.5Å; L209-Y257 HydrophobicContact CD1-CD2 3.99Å; L209-Y257 HydrophobicContact CD1-CE2 3.44Å; L209-Y257 VanDerWaalsContact CD1-CE2 3.44Å
210Y98.3Very high95.6Very high15 Ų1548 Ų486%0.05922%0.222CC..EExtended strand (participates in β ladder)trans-150.4176.3-179.666-94.1000112.1H219 I222 E223 C239 D240 F241 H249Y210-H219 HydrophobicContact CD2-CB 3.55Å; Y210-H219 HydrophobicContact CE2-CB 3.69Å; Y210-I222 VanDerWaalsContact CB-CD1 3.45Å; Y210-I222 HydrophobicContact CD1-CB 4.4Å; Y210-I222 HydrophobicContact CD1-CG2 3.72Å; Y210-I222 HydrophobicContact CE1-CG2 4.25Å; Y210-I222 HydrophobicContact CG-CD1 4.16Å; Y210-I222 HydrophobicContact CG-CG2 4.28Å; Y210-E223 PolarHBondContact OH-OE1 2.94Å; Y210-C239 PolarHBondContact N-O 2.86Å; Y210-D240 HydrophobicContact CD2-CB 4.25Å; Y210-D240 HydrophobicContact CE2-CB 3.63Å; Y210-D240 CarbonylContact O-C 3.6Å; Y210-D240 WeakPolarHBondContact O-CA 3.21Å; Y210-F241 PolarHBondContact O-N 3.35Å; Y210-H249 WeakPolarHBondContact CA-NE2 3.26Å
211S97.9Very high95.6Very high0 Ų040.4 Ų40.40%020%0.195CC..  trans-139.7140.8172.3-171.90000112.1A213 D214 D240 A242 S243 S244S211-A213 PolarHBondContact O-N 3.22Å; S211-A213 PolarHBondContact OG-N 3.4Å; S211-D214 WeakPolarHBondContact O-CB 3.17Å; S211-D214 PolarHBondContact O-N 3.22Å; S211-D240 VanDerWaalsContact CA-OD1 3.31Å; S211-D240 WeakPolarHBondContact CA-OD1 3.08Å; S211-A242 PolarHBondContact OG-N 2.72Å; S211-A242 PolarHBondContact OG-O 3.13Å; S211-S243 PolarHBondContact OG-N 2.75Å; S211-S243 VanDerWaalsContact OG-N 3.13Å; S211-S244 WeakPolarHBondContact CB-O 3.25Å; S211-S244 WeakPolarHBondContact CB-OG 3.25Å; S211-S244 PolarHBondContact OG-N 3.43Å; S211-S244 PolarHBondContact OG-O 2.86Å; S211-S244 VanDerWaalsContact OG-O 3.13Å; S211-S244 PolarHBondContact OG-OG 3.43Å
212R97.1Very high95.7Very high150 Ų15039.5 Ų39.557%0.56619%0.189SC*.THydrogen-bonded Turntrans-59.8-25.5168.8-77.3179-74.6174.1-7.2113.8D214 H219 D240R212-D214 VanDerWaalsContact C-N 3.29Å; R212-H219 HydrophobicContact CG-CB 4.39Å; R212-D240 IonicContact CZ-OD2 3.57Å; R212-D240 PolarHBondContact N-OD1 2.76Å; R212-D240 IonicContact NE-OD2 3.91Å; R212-D240 PolarHBondContact NE-OD2 2.68Å; R212-D240 IonicContact NH2-OD2 3.75Å; R212-D240 PolarHBondContact NH2-OD2 2.96Å
213A95.4Very high95.8Very high32 Ų3243 Ų4326%0.26421%0.205SC..THydrogen-bonded Turntrans-80.2-7.6175.100000113.8S211 Q215 A242 S243S211-A213 PolarHBondContact O-N 3.22Å; S211-A213 PolarHBondContact OG-N 3.4Å; A213-Q215 WeakPolarHBondContact O-CG 3.45Å; A213-Q215 PolarHBondContact O-N 2.98Å; A213-Q215 VanDerWaalsContact O-N 3.15Å; A213-Q215 PolarHBondContact O-NE2 3.24Å; A213-Q215 VanDerWaalsContact O-NE2 3.15Å; A213-A242 WeakPolarHBondContact CB-O 3.3Å; A213-A242 PolarHBondContact N-O 3.27Å; A213-S243 VanDerWaalsContact CB-C 3.47Å; A213-S243 VanDerWaalsContact CB-O 3.32Å; A213-S243 WeakPolarHBondContact CB-O 3.41Å
214D94.6Very high95.9Very high8 Ų843.6 Ų43.64%0.04320%0.195CC..  trans-61.4118.1176.9-170-23.4000110.7S211 R212 V216 I217 H246S211-D214 WeakPolarHBondContact O-CB 3.17Å; S211-D214 PolarHBondContact O-N 3.22Å; R212-D214 VanDerWaalsContact C-N 3.29Å; D214-V216 WeakPolarHBondContact OD1-CA 3.49Å; D214-V216 PolarHBondContact OD1-N 3Å; D214-I217 WeakPolarHBondContact CB-O 3.36Å; D214-I217 VanDerWaalsContact CG-O 3.25Å; D214-I217 PolarHBondContact OD1-N 3.02Å; D214-H246 WeakPolarHBondContact OD1-CB 3.25Å; D214-H246 IonicContact OD1-CG 2.65Å; D214-H246 IonicContact OD1-ND1 3.2Å; D214-H246 PolarHBondContact OD1-ND1 3.18Å; D214-H246 IonicContact OD2-CE1 2.75Å; D214-H246 IonicContact OD2-CG 2.85Å; D214-H246 IonicContact OD2-ND1 3.04Å; D214-H246 PolarHBondContact OD2-ND1 2.66Å
215Q90.2Very high95.9Very high106 Ų10642.4 Ų42.450%0.49519%0.191SC..SBendtrans-93.9-9.8-177.4-67.1-55.6-61.400113.5R149 A213R149-Q215 WeakPolarHBondContact CD-O 3.44Å; R149-Q215 VanDerWaalsContact NH1-CG 3.32Å; A213-Q215 WeakPolarHBondContact O-CG 3.45Å; A213-Q215 PolarHBondContact O-N 2.98Å; A213-Q215 VanDerWaalsContact O-N 3.15Å; A213-Q215 PolarHBondContact O-NE2 3.24Å; A213-Q215 VanDerWaalsContact O-NE2 3.15Å
216V88.8Confident95.9Very high18 Ų1842 Ų4211%0.10919%0.189CC..SBendtrans-96.4-53.2-179.31790000109.1N143 G146 R149 A150 D214 H246N143-V216 PolarHBondContact ND2-O 2.82Å; G146-V216 VanDerWaalsContact CA-O 3.26Å; G146-V216 WeakPolarHBondContact CA-O 3.32Å; R149-V216 HydrophobicContact CB-CG2 4.23Å; A150-V216 HydrophobicContact CB-CG1 3.96Å; D214-V216 WeakPolarHBondContact OD1-CA 3.49Å; D214-V216 PolarHBondContact OD1-N 3Å; V216-H246 HydrophobicContact CB-CB 4.01Å; V216-H246 HydrophobicContact CG2-CB 3.79Å
217I91.4Very high95.9Very high6 Ų647 Ų473%0.03121%0.213CC..SBendtrans-113122.9178.5-57-59.5000108.9N106 S137 D214 H219 I222N106-I217 WeakPolarHBondContact ND2-CD1 3.22Å; S137-I217 VanDerWaalsContact O-CG1 3.29Å; S137-I217 WeakPolarHBondContact O-CG1 3.3Å; D214-I217 WeakPolarHBondContact CB-O 3.36Å; D214-I217 VanDerWaalsContact CG-O 3.25Å; D214-I217 PolarHBondContact OD1-N 3.02Å; I217-H219 PolarHBondContact O-N 3.47Å; I217-I222 HydrophobicContact CG2-CD1 3.77Å; I217-I222 HydrophobicContact CG2-CG1 3.93Å
218R93.7Very high95.9Very high117 Ų11747.6 Ų47.644%0.44222%0.22SC..  trans-73.8129.3-178.8-62.2174.6-174.1159.3-0.2108.7N143 R220 D221N143-R218 PolarHBondContact OD1-NH2 3.01Å; N143-R218 VanDerWaalsContact OD1-NH2 3.1Å; R218-R220 PolarHBondContact O-N 3.27Å; R218-R220 VanDerWaalsContact O-N 3.12Å; R218-D221 WeakPolarHBondContact O-CB 3.36Å; R218-D221 PolarHBondContact O-N 3.02Å
219H95.4Very high95.8Very high42 Ų4247.6 Ų47.619%0.19422%0.22CC..Hα-helixtrans-51.6-37.3175.363.9-92.5000112.7Y210 R212 I217 D221 I222 E223Y210-H219 HydrophobicContact CD2-CB 3.55Å; Y210-H219 HydrophobicContact CE2-CB 3.69Å; R212-H219 HydrophobicContact CG-CB 4.39Å; I217-H219 PolarHBondContact O-N 3.47Å; H219-D221 VanDerWaalsContact C-N 3.26Å; H219-D221 PolarHBondContact O-N 3.12Å; H219-I222 WeakPolarHBondContact O-CA 3.42Å; H219-I222 WeakPolarHBondContact O-CB 3.39Å; H219-I222 PolarHBondContact O-N 2.95Å; H219-E223 IonicContact CD2-OE2 3.2Å; H219-E223 PolarHBondContact O-N 2.96Å
220R95.4Very high95.7Very high170 Ų17050 Ų5064%0.64224%0.24SC*.Hα-helixtrans-58.1-36.3178.6-62.3-173.2-179-177.7-1.4113.1R218 I222 L224R218-R220 PolarHBondContact O-N 3.27Å; R218-R220 VanDerWaalsContact O-N 3.12Å; R220-I222 VanDerWaalsContact C-N 3.3Å; R220-L224 WeakPolarHBondContact O-CB 3.11Å; R220-L224 WeakPolarHBondContact O-CG 3.41Å; R220-L224 PolarHBondContact O-N 3.19Å
221D95.1Very high95.7Very high13 Ų1357.4 Ų57.47%0.0727%0.272CS..Hα-helixtrans-66.4-39.9177.5-63.93.1000109.9S141 Y194 R218 H219 F225S141-D221 PolarHBondContact N-OD2 3Å; S141-D221 PolarHBondContact OG-OD1 2.91Å; S141-D221 PolarHBondContact OG-OD2 2.89Å; Y194-D221 HydrophobicContact CE2-CB 4.32Å; Y194-D221 PolarHBondContact OH-O 2.99Å; R218-D221 WeakPolarHBondContact O-CB 3.36Å; R218-D221 PolarHBondContact O-N 3.02Å; H219-D221 VanDerWaalsContact C-N 3.26Å; H219-D221 PolarHBondContact O-N 3.12Å; D221-F225 VanDerWaalsContact O-CB 3.3Å; D221-F225 WeakPolarHBondContact O-CB 3.24Å; D221-F225 PolarHBondContact O-N 2.97Å
222I97.3Very high95.7Very high1 Ų162.4 Ų62.41%0.00529%0.294CS..Hα-helixtrans-68.6-43179-59.2176.1000110.6P139 L208 Y210 I217 H219 R220 F225 A226P139-I222 WeakPolarHBondContact O-CG1 3.39Å; L208-I222 HydrophobicContact CB-CG2 3.86Å; L208-I222 HydrophobicContact CD1-CG2 3.7Å; L208-I222 HydrophobicContact CG-CG2 4.34Å; Y210-I222 VanDerWaalsContact CB-CD1 3.45Å; Y210-I222 HydrophobicContact CD1-CB 4.4Å; Y210-I222 HydrophobicContact CD1-CG2 3.72Å; Y210-I222 HydrophobicContact CE1-CG2 4.25Å; Y210-I222 HydrophobicContact CG-CD1 4.16Å; Y210-I222 HydrophobicContact CG-CG2 4.28Å; I217-I222 HydrophobicContact CG2-CD1 3.77Å; I217-I222 HydrophobicContact CG2-CG1 3.93Å; H219-I222 WeakPolarHBondContact O-CA 3.42Å; H219-I222 WeakPolarHBondContact O-CB 3.39Å; H219-I222 PolarHBondContact O-N 2.95Å; R220-I222 VanDerWaalsContact C-N 3.3Å; I222-F225 WeakPolarHBondContact O-CB 3.49Å; I222-F225 PolarHBondContact O-N 3.26Å; I222-A226 WeakPolarHBondContact O-CB 3.26Å; I222-A226 PolarHBondContact O-N 3.43Å
223E97.4Very high95.6Very high74 Ų7458.5 Ų58.535%0.34630%0.301SS..Hα-helixtrans-63.1-46.7176.6-69.7172.4158.600111.7Y210 H219 F225 A226 E227Y210-E223 PolarHBondContact OH-OE1 2.94Å; H219-E223 IonicContact CD2-OE2 3.2Å; H219-E223 PolarHBondContact O-N 2.96Å; E223-F225 VanDerWaalsContact C-N 3.3Å; E223-F225 PolarHBondContact O-N 3.12Å; E223-A226 WeakPolarHBondContact O-CB 3.32Å; E223-A226 PolarHBondContact O-N 2.99Å; E223-E227 WeakPolarHBondContact O-CG 3.49Å; E223-E227 PolarHBondContact O-N 3.39Å
224L97.1Very high95.7Very high101 Ų10157.6 Ų57.653%0.52929%0.292SS..Hα-helixtrans-62.3-38.3175.9-72.6172.1000112.1R220 A228R220-L224 WeakPolarHBondContact O-CB 3.11Å; R220-L224 WeakPolarHBondContact O-CG 3.41Å; R220-L224 PolarHBondContact O-N 3.19Å; L224-A228 WeakPolarHBondContact O-CB 2.98Å; L224-A228 PolarHBondContact O-N 3.4Å; L224-A228 VanDerWaalsContact O-N 3.12Å
225F97.5Very high95.8Very high1 Ų160.4 Ų60.40%0.00431%0.311CS..Hα-helixtrans-62.7-48.1173.2-179.5-92.7000111.2F109 P139 Y194 V197 R198 L208 D221 I222 E223 E227 A228 V229F109-F225 HydrophobicContact CE1-CZ 4.49Å; F109-F225 HydrophobicContact CZ-CE1 4.29Å; F109-F225 HydrophobicContact CZ-CE2 4.23Å; F109-F225 AromaticContact CZ-CZ 3.73Å; F109-F225 HydrophobicContact CZ-CZ 3.73Å; P139-F225 HydrophobicContact CG-CB 4.01Å; P139-F225 HydrophobicContact CG-CD1 3.61Å; P139-F225 HydrophobicContact CG-CD2 3.44Å; P139-F225 VanDerWaalsContact CG-CD2 3.44Å; P139-F225 HydrophobicContact CG-CE1 3.87Å; P139-F225 HydrophobicContact CG-CE2 3.72Å; P139-F225 HydrophobicContact CG-CG 3.39Å; P139-F225 HydrophobicContact CG-CZ 3.93Å; Y194-F225 HydrophobicContact CD2-CD2 4.33Å; Y194-F225 HydrophobicContact CE1-CD2 4.44Å; Y194-F225 HydrophobicContact CE2-CB 3.86Å; Y194-F225 HydrophobicContact CE2-CD2 4.05Å; Y194-F225 HydrophobicContact CE2-CG 4.34Å; Y194-F225 PolarHBondContact OH-N 3.35Å; V197-F225 HydrophobicContact CB-CE2 4.26Å; V197-F225 HydrophobicContact CB-CZ 4.19Å; V197-F225 HydrophobicContact CG1-CE2 4.39Å; V197-F225 HydrophobicContact CG1-CZ 3.83Å; R198-F225 HydrophobicContact CB-CD2 3.97Å; R198-F225 HydrophobicContact CB-CE2 3.84Å; R198-F225 HydrophobicContact CG-CD2 4.41Å; L208-F225 HydrophobicContact CD1-CD1 4.32Å; D221-F225 VanDerWaalsContact O-CB 3.3Å; D221-F225 WeakPolarHBondContact O-CB 3.24Å; D221-F225 PolarHBondContact O-N 2.97Å; I222-F225 WeakPolarHBondContact O-CB 3.49Å; I222-F225 PolarHBondContact O-N 3.26Å; E223-F225 VanDerWaalsContact C-N 3.3Å; E223-F225 PolarHBondContact O-N 3.12Å; F225-E227 PolarHBondContact O-N 2.87Å; F225-A228 PolarHBondContact O-N 2.97Å; F225-V229 HydrophobicContact CD1-CG2 4.08Å; F225-V229 HydrophobicContact CD2-CG2 4.46Å; F225-V229 HydrophobicContact CE1-CG2 3.63Å; F225-V229 HydrophobicContact CE2-CG2 4.05Å; F225-V229 HydrophobicContact CG-CG2 4.47Å; F225-V229 HydrophobicContact CZ-CG2 3.6Å; F225-V229 WeakPolarHBondContact O-CG2 3.49Å; F225-V229 PolarHBondContact O-N 3.4Å
226A97.8Very high96.1Very high15 Ų1557 Ų5712%0.12430%0.297CS..Hα-helixtrans-56-49.3179.200000111.5L208 I222 E223 A228 V229 A230 V236L208-A226 HydrophobicContact CD1-CB 3.55Å; I222-A226 WeakPolarHBondContact O-CB 3.26Å; I222-A226 PolarHBondContact O-N 3.43Å; E223-A226 WeakPolarHBondContact O-CB 3.32Å; E223-A226 PolarHBondContact O-N 2.99Å; A226-A228 VanDerWaalsContact C-N 3.35Å; A226-A228 PolarHBondContact O-N 3.15Å; A226-V229 PolarHBondContact O-N 3.02Å; A226-A230 VanDerWaalsContact O-CB 3.25Å; A226-A230 WeakPolarHBondContact O-CB 3.3Å; A226-A230 PolarHBondContact O-N 3.46Å; A226-V236 HydrophobicContact CB-CG1 3.84Å
227E97.9Very high96.6Very high106 Ų10660.9 Ų60.950%0.49531%0.314SS..Hα-helixtrans-61.1-42.8178-72.3178.9-165.700112.2E223 F225 A230 K231E223-E227 WeakPolarHBondContact O-CG 3.49Å; E223-E227 PolarHBondContact O-N 3.39Å; F225-E227 PolarHBondContact O-N 2.87Å; E227-A230 PolarHBondContact O-N 3.21Å; E227-K231 WeakPolarHBondContact O-CB 3.22Å; E227-K231 VanDerWaalsContact O-CG 3.24Å; E227-K231 WeakPolarHBondContact O-CG 3.5Å; E227-K231 PolarHBondContact O-N 3.31Å
228A97.4Very high96.9Very high25 Ų2563.9 Ų63.921%0.20734%0.335CS..Hα-helixtrans-66.9-37.8-179.600000112.4R198 L224 F225 A226R198-A228 HydrophobicContact CG-CB 3.65Å; L224-A228 WeakPolarHBondContact O-CB 2.98Å; L224-A228 PolarHBondContact O-N 3.4Å; L224-A228 VanDerWaalsContact O-N 3.12Å; F225-A228 PolarHBondContact O-N 2.97Å; A226-A228 VanDerWaalsContact C-N 3.35Å; A226-A228 PolarHBondContact O-N 3.15Å
229V97.3Very high97.1Very high0 Ų059 Ų590%032%0.319CS..Hα-helixtrans-72.7-42.4176.1171.60000110.9P201 F225 A226 K231 K232 V234 V236P201-V229 HydrophobicContact CB-CG1 3.95Å; P201-V229 HydrophobicContact CB-CG2 4.16Å; P201-V229 HydrophobicContact CG-CG1 4.43Å; F225-V229 HydrophobicContact CD1-CG2 4.08Å; F225-V229 HydrophobicContact CD2-CG2 4.46Å; F225-V229 HydrophobicContact CE1-CG2 3.63Å; F225-V229 HydrophobicContact CE2-CG2 4.05Å; F225-V229 HydrophobicContact CG-CG2 4.47Å; F225-V229 HydrophobicContact CZ-CG2 3.6Å; F225-V229 WeakPolarHBondContact O-CG2 3.49Å; F225-V229 PolarHBondContact O-N 3.4Å; A226-V229 PolarHBondContact O-N 3.02Å; V229-K231 VanDerWaalsContact C-N 3.33Å; V229-K231 PolarHBondContact O-N 3.38Å; V229-K232 WeakPolarHBondContact O-CA 3.22Å; V229-K232 WeakPolarHBondContact O-CB 3.17Å; V229-K232 PolarHBondContact O-N 2.89Å; V229-V234 HydrophobicContact CG1-CB 3.62Å; V229-V234 HydrophobicContact CG1-CG1 3.79Å; V229-V234 HydrophobicContact CG1-CG2 4.25Å; V229-V236 HydrophobicContact CB-CG2 4.03Å; V229-V236 HydrophobicContact CG1-CG2 3.6Å
230A97.2Very high97.2Very high50 Ų5059.2 Ų59.241%0.41332%0.321SS..Hα-helixtrans-61.5-39176.100000112.6A226 E227 K232 G233 V234 V236A226-A230 VanDerWaalsContact O-CB 3.25Å; A226-A230 WeakPolarHBondContact O-CB 3.3Å; A226-A230 PolarHBondContact O-N 3.46Å; E227-A230 PolarHBondContact O-N 3.21Å; A230-K232 PolarHBondContact O-N 3.09Å; A230-G233 PolarHBondContact O-N 2.84Å; A230-V234 WeakPolarHBondContact CA-O 3.43Å; A230-V236 HydrophobicContact CB-CG2 4.42Å
231K97.8Very high97.3Very high171 Ų17151.4 Ų51.474%0.74329%0.292SS*.THydrogen-bonded Turntrans-59.8-17.2173.4-78.5169.7-176.5167.50113.7E227 V229E227-K231 WeakPolarHBondContact O-CB 3.22Å; E227-K231 VanDerWaalsContact O-CG 3.24Å; E227-K231 WeakPolarHBondContact O-CG 3.5Å; E227-K231 PolarHBondContact O-N 3.31Å; V229-K231 VanDerWaalsContact C-N 3.33Å; V229-K231 PolarHBondContact O-N 3.38Å
232K97.1Very high97.4Very high104 Ų10452.9 Ų52.945%0.45231%0.306SS..THydrogen-bonded Turntrans-95.89.5176-65.1-179.7174.2-176.30113.3R198 E199 P201 V229 A230 V234R198-K232 PolarHBondContact O-NZ 2.88Å; E199-K232 PolarHBondContact O-NZ 3.31Å; P201-K232 HydrophobicContact CG-CB 4.12Å; P201-K232 HydrophobicContact CG-CD 3.79Å; V229-K232 WeakPolarHBondContact O-CA 3.22Å; V229-K232 WeakPolarHBondContact O-CB 3.17Å; V229-K232 PolarHBondContact O-N 2.89Å; A230-K232 PolarHBondContact O-N 3.09Å; K232-V234 VanDerWaalsContact C-N 3.33Å
233G96.1Very high97.4Very high69 Ų6956.7 Ų56.771%0.71133%0.333SS*.THydrogen-bonded Turntrans81.29.6176.600000114.5A230A230-G233 PolarHBondContact O-N 2.84Å
234V96.4Very high97.4Very high12 Ų1253.2 Ų53.27%0.07332%0.317CS..  trans-86.9126.8174.7179.90000108.6P201 P202 W204 V229 A230 K232 V236P201-V234 HydrophobicContact CB-CG2 4.1Å; P201-V234 HydrophobicContact CG-CG2 3.93Å; P202-V234 WeakPolarHBondContact O-CG1 3.47Å; P202-V234 WeakPolarHBondContact O-CG2 2.97Å; W204-V234 WeakPolarHBondContact O-CG1 3.28Å; V229-V234 HydrophobicContact CG1-CB 3.62Å; V229-V234 HydrophobicContact CG1-CG1 3.79Å; V229-V234 HydrophobicContact CG1-CG2 4.25Å; A230-V234 WeakPolarHBondContact CA-O 3.43Å; K232-V234 VanDerWaalsContact C-N 3.33Å; V234-V236 PolarHBondContact O-N 3.34Å
235P97.3Very high97.3Very high68 Ų6850.6 Ų50.644%0.44231%0.309SS..  trans-66.4127.4178.5-15.127.6000110.7P205 H206P205-P235 VanDerWaalsContact CA-O 3.22Å; P205-P235 WeakPolarHBondContact CA-O 3.15Å; P205-P235 HydrophobicContact CB-CB 4.02Å; P205-P235 HydrophobicContact CB-CG 4.35Å; H206-P235 PolarHBondContact N-O 3.01Å
236V97.8Very high97.2Very high35 Ų3552.1 Ų52.121%0.21232%0.317CS..EExtended strand (participates in β ladder)trans-125.9124.7177.5-174.80000109.4H206 L208 A226 V229 A230 V234H206-V236 CarbonylContact O-C 3.6Å; H206-V236 WeakPolarHBondContact O-CA 3Å; L208-V236 HydrophobicContact CD1-CG1 3.79Å; L208-V236 HydrophobicContact CG-CG1 3.95Å; A226-V236 HydrophobicContact CB-CG1 3.84Å; V229-V236 HydrophobicContact CB-CG2 4.03Å; V229-V236 HydrophobicContact CG1-CG2 3.6Å; A230-V236 HydrophobicContact CB-CG2 4.42Å; V234-V236 PolarHBondContact O-N 3.34Å
237H97.9Very high97Very high98 Ų9851.8 Ų51.845%0.45431%0.313SS..EExtended strand (participates in β ladder)trans-105.1155.5168.8-57.3-78.9000109.2H206 F207 L208 F264H206-H237 PolarHBondContact O-N 3.38Å; F207-H237 WeakPolarHBondContact CA-O 3.48Å; F207-H237 HydrophobicContact CB-CB 4.37Å; F207-H237 HydrophobicContact CD2-CB 3.56Å; F207-H237 HydrophobicContact CE2-CB 4.08Å; F207-H237 HydrophobicContact CG-CB 4.15Å; L208-H237 PolarHBondContact N-O 3.42Å; H237-F264 AromaticContact CD2-CE2 3.63Å
238S97.6Very high96.9Very high69 Ų6948 Ų4848%0.48330%0.298SS..EExtended strand (participates in β ladder)trans-146.2153.9176.366.20000113.1L208L208-S238 CarbonylContact O-C 3.55Å; L208-S238 WeakPolarHBondContact O-CA 3.48Å
239C98.2Very high96.9Very high15 Ų1546.8 Ų46.810%0.10129%0.288CS..EExtended strand (participates in β ladder)trans-143.2117.7177.1-173.60000110.1F207 L208 L209 Y210 F241F207-C239 HydrophobicContact CE2-CB 3.81Å; F207-C239 HydrophobicContact CZ-CB 3.95Å; L208-C239 PolarHBondContact O-N 3.21Å; L209-C239 HydrophobicContact CD2-CB 3.81Å; Y210-C239 PolarHBondContact N-O 2.86Å; C239-F241 HydrophobicContact CB-CE2 4.46Å
240D98.2Very high96.9Very high46 Ų4648.5 Ų48.525%0.24630%0.295CS..EExtended strand (participates in β ladder)trans-90.9117171.9175.132.1000110.6Y210 S211 R212 A242Y210-D240 HydrophobicContact CD2-CB 4.25Å; Y210-D240 HydrophobicContact CE2-CB 3.63Å; Y210-D240 CarbonylContact O-C 3.6Å; Y210-D240 WeakPolarHBondContact O-CA 3.21Å; S211-D240 VanDerWaalsContact CA-OD1 3.31Å; S211-D240 WeakPolarHBondContact CA-OD1 3.08Å; R212-D240 IonicContact CZ-OD2 3.57Å; R212-D240 PolarHBondContact N-OD1 2.76Å; R212-D240 IonicContact NE-OD2 3.91Å; R212-D240 PolarHBondContact NE-OD2 2.68Å; R212-D240 IonicContact NH2-OD2 3.75Å; R212-D240 PolarHBondContact NH2-OD2 2.96Å; D240-A242 VanDerWaalsContact C-N 3.26Å; D240-A242 PolarHBondContact O-N 2.98Å; D240-A242 WeakPolarHBondContact OD1-CA 3.48Å; D240-A242 PolarHBondContact OD1-N 3.41Å
241F98.1Very high96.9Very high7 Ų753.9 Ų53.93%0.03131%0.305CS..  trans-82.2-1.2174.3-73-88000113.5L209 Y210 C239 S243 S244 H249 F253 Q256 Y257L209-F241 HydrophobicContact CB-CE2 4.09Å; L209-F241 HydrophobicContact CD2-CE2 4.11Å; L209-F241 HydrophobicContact CG-CE2 4.5Å; Y210-F241 PolarHBondContact O-N 3.35Å; C239-F241 HydrophobicContact CB-CE2 4.46Å; F241-S243 PolarHBondContact O-N 3.32Å; F241-S244 VanDerWaalsContact CB-OG 3.28Å; F241-S244 WeakPolarHBondContact CB-OG 3.22Å; F241-H249 HydrophobicContact CD1-CB 4.39Å; F241-H249 HydrophobicContact CD2-CB 3.86Å; F241-H249 AromaticContact CD2-CG 3.71Å; F241-H249 AromaticContact CD2-ND1 4Å; F241-H249 HydrophobicContact CE1-CB 4.45Å; F241-H249 HydrophobicContact CE2-CB 3.94Å; F241-H249 HydrophobicContact CG-CB 4.09Å; F241-H249 HydrophobicContact CZ-CB 4.24Å; F241-F253 HydrophobicContact CB-CD2 4.1Å; F241-F253 HydrophobicContact CB-CE2 4.1Å; F241-F253 HydrophobicContact CD1-CB 3.78Å; F241-F253 AromaticContact CD1-CD2 3.5Å; F241-F253 HydrophobicContact CD1-CD2 3.5Å; F241-F253 VanDerWaalsContact CD1-CD2 3.5Å; F241-F253 HydrophobicContact CD1-CE2 4.26Å; F241-F253 AromaticContact CD1-CG 3.75Å; F241-F253 HydrophobicContact CD1-CG 3.75Å; F241-F253 HydrophobicContact CE1-CB 3.79Å; F241-F253 HydrophobicContact CE1-CD2 4.36Å; F241-F253 HydrophobicContact CE1-CG 4.27Å; F241-F253 HydrophobicContact CG-CD2 4.2Å; F241-Q256 HydrophobicContact CE1-CB 4.45Å; F241-Q256 HydrophobicContact CE1-CG 4.15Å; F241-Y257 HydrophobicContact CE1-CD2 4.45Å; F241-Y257 HydrophobicContact CE2-CD2 4.19Å; F241-Y257 AromaticContact CZ-CD2 3.76Å; F241-Y257 HydrophobicContact CZ-CD2 3.76Å; F241-Y257 HydrophobicContact CZ-CG 4.44Å
242A96.9Very high96.9Very high43 Ų4348.6 Ų48.636%0.35529%0.285SS..THydrogen-bonded Turntrans62.3-46.3173.600000117.4S211 A213 D240S211-A242 PolarHBondContact OG-N 2.72Å; S211-A242 PolarHBondContact OG-O 3.13Å; A213-A242 WeakPolarHBondContact CB-O 3.3Å; A213-A242 PolarHBondContact N-O 3.27Å; D240-A242 VanDerWaalsContact C-N 3.26Å; D240-A242 PolarHBondContact O-N 2.98Å; D240-A242 WeakPolarHBondContact OD1-CA 3.48Å; D240-A242 PolarHBondContact OD1-N 3.41Å
243S96.6Very high96.9Very high82 Ų8246.7 Ų46.757%0.57328%0.277SS*.THydrogen-bonded Turntrans-125-17.6-167.559.70000115.9S211 A213 F241 F253S211-S243 PolarHBondContact OG-N 2.75Å; S211-S243 VanDerWaalsContact OG-N 3.13Å; A213-S243 VanDerWaalsContact CB-C 3.47Å; A213-S243 VanDerWaalsContact CB-O 3.32Å; A213-S243 WeakPolarHBondContact CB-O 3.41Å; F241-S243 PolarHBondContact O-N 3.32Å; S243-F253 WeakPolarHBondContact OG-CZ 3.44Å
244S96.7Very high97Very high1 Ų146.4 Ų46.41%0.00726%0.262CS..PPolyproline II helixtrans-68.1145.318050.70000112.8S211 F241 H249 D252S211-S244 WeakPolarHBondContact CB-O 3.25Å; S211-S244 WeakPolarHBondContact CB-OG 3.25Å; S211-S244 PolarHBondContact OG-N 3.43Å; S211-S244 PolarHBondContact OG-O 2.86Å; S211-S244 VanDerWaalsContact OG-O 3.13Å; S211-S244 PolarHBondContact OG-OG 3.43Å; F241-S244 VanDerWaalsContact CB-OG 3.28Å; F241-S244 WeakPolarHBondContact CB-OG 3.22Å; S244-H249 PolarHBondContact OG-CE1 2.88Å; S244-H249 PolarHBondContact OG-ND1 3.01Å; S244-D252 VanDerWaalsContact CA-OD2 3.3Å; S244-D252 WeakPolarHBondContact CA-OD2 3.33Å; S244-D252 VanDerWaalsContact CB-OD2 3.31Å; S244-D252 WeakPolarHBondContact CB-OD2 3.22Å
245A95.1Very high97Very high45 Ų4553.1 Ų53.137%0.37229%0.293SS..PPolyproline II helixtrans-69.6168.8173.400000112.5V247 C248A245-V247 PolarHBondContact O-N 3.37Å; A245-C248 HydrophobicContact CB-CB 4.05Å; A245-C248 WeakPolarHBondContact O-CB 3.05Å; A245-C248 PolarHBondContact O-N 3.17Å
246H95.3Very high97.1Very high34 Ų3454 Ų5416%0.15729%0.291CS..THydrogen-bonded Turntrans-49.1124.5177.3-172.559.9000112.2S105 S137 D214 V216 C248S105-H246 WeakPolarHBondContact CB-NE2 3.39Å; S105-H246 PolarHBondContact OG-CE1 2.83Å; S105-H246 VanDerWaalsContact OG-CE1 3.25Å; S105-H246 PolarHBondContact OG-NE2 3.39Å; S137-H246 WeakPolarHBondContact CB-CE1 3.47Å; S137-H246 WeakPolarHBondContact CB-ND1 3.44Å; D214-H246 WeakPolarHBondContact OD1-CB 3.25Å; D214-H246 IonicContact OD1-CG 2.65Å; D214-H246 IonicContact OD1-ND1 3.2Å; D214-H246 PolarHBondContact OD1-ND1 3.18Å; D214-H246 IonicContact OD2-CE1 2.75Å; D214-H246 IonicContact OD2-CG 2.85Å; D214-H246 IonicContact OD2-ND1 3.04Å; D214-H246 PolarHBondContact OD2-ND1 2.66Å; V216-H246 HydrophobicContact CB-CB 4.01Å; V216-H246 HydrophobicContact CG2-CB 3.79Å; H246-C248 PolarHBondContact O-N 3.19Å; H246-C248 PolarHBondContact O-SG 2.9Å
247V94.6Very high97.1Very high8 Ų852.3 Ų52.35%0.04828%0.281CS..THydrogen-bonded Turntrans59.66.7-179.7-173.70000113.7W35 Y46 F104 S137 A245W35-V247 HydrophobicContact CD2-CG1 4.09Å; W35-V247 HydrophobicContact CE3-CG1 3.68Å; W35-V247 HydrophobicContact CH2-CG1 3.98Å; W35-V247 HydrophobicContact CZ2-CG1 4.41Å; W35-V247 HydrophobicContact CZ3-CG1 3.61Å; Y46-V247 PolarHBondContact OH-O 3.45Å; F104-V247 HydrophobicContact CD1-CG1 4.05Å; S137-V247 WeakPolarHBondContact OG-CA 3.3Å; S137-V247 PolarHBondContact OG-N 2.97Å; A245-V247 PolarHBondContact O-N 3.37Å
248C95.7Very high97.1Very high26 Ų2649.1 Ų49.118%0.17627%0.268CS..  trans-95.57.7-178.3-63.70000112.9A245 H246 F250 R251 D252A245-C248 HydrophobicContact CB-CB 4.05Å; A245-C248 WeakPolarHBondContact O-CB 3.05Å; A245-C248 PolarHBondContact O-N 3.17Å; H246-C248 PolarHBondContact O-N 3.19Å; H246-C248 PolarHBondContact O-SG 2.9Å; C248-F250 VanDerWaalsContact C-N 3.31Å; C248-F250 PolarHBondContact O-N 2.92Å; C248-R251 WeakPolarHBondContact O-CB 3.34Å; C248-R251 PolarHBondContact O-N 3.42Å; C248-D252 PolarHBondContact O-N 2.9Å
249H97.8Very high97.1Very high0 Ų053.3 Ų53.30%027%0.274CS..Hα-helixtrans-54.4-45.8-178.8-52.2-33.9000112.1D136 S137 Y210 F241 S244 R251 D252 F253 Y257D136-H249 IonicContact OD1-CD2 3.17Å; D136-H249 PolarHBondContact OD1-CD2 3.4Å; D136-H249 IonicContact OD1-NE2 3.59Å; D136-H249 IonicContact OD2-CD2 3.82Å; S137-H249 PolarHBondContact OG-NE2 2.83Å; Y210-H249 WeakPolarHBondContact CA-NE2 3.26Å; F241-H249 HydrophobicContact CD1-CB 4.39Å; F241-H249 HydrophobicContact CD2-CB 3.86Å; F241-H249 AromaticContact CD2-CG 3.71Å; F241-H249 AromaticContact CD2-ND1 4Å; F241-H249 HydrophobicContact CE1-CB 4.45Å; F241-H249 HydrophobicContact CE2-CB 3.94Å; F241-H249 HydrophobicContact CG-CB 4.09Å; F241-H249 HydrophobicContact CZ-CB 4.24Å; S244-H249 PolarHBondContact OG-CE1 2.88Å; S244-H249 PolarHBondContact OG-ND1 3.01Å; H249-R251 VanDerWaalsContact C-N 3.35Å; H249-R251 PolarHBondContact O-N 3.31Å; H249-D252 PolarHBondContact O-N 3.31Å; H249-F253 WeakPolarHBondContact O-CA 3.43Å; H249-F253 WeakPolarHBondContact O-CB 3.27Å; H249-F253 PolarHBondContact O-N 2.85Å; H249-Y257 HydrophobicContact CB-CD2 3.53Å; H249-Y257 HydrophobicContact CB-CE2 3.68Å
250F97.6Very high97.1Very high35 Ų3556.6 Ų56.615%0.15429%0.286CS..Hα-helixtrans-67.3-34.6177.6-177.6-142.4000113.1K45 Y46 I49 C248 P254 Y257 T258K45-F250 HydrophobicContact CB-CE1 4Å; K45-F250 WeakPolarHBondContact O-CE1 3.38Å; Y46-F250 HydrophobicContact CD1-CB 4.13Å; Y46-F250 AromaticContact CD1-CD1 3.87Å; Y46-F250 HydrophobicContact CD1-CD1 3.87Å; Y46-F250 HydrophobicContact CD1-CG 4.29Å; Y46-F250 HydrophobicContact CD2-CD1 4.42Å; Y46-F250 HydrophobicContact CE1-CB 3.45Å; Y46-F250 VanDerWaalsContact CE1-CB 3.45Å; Y46-F250 AromaticContact CE1-CD1 3.81Å; Y46-F250 HydrophobicContact CE1-CD1 3.81Å; Y46-F250 HydrophobicContact CE1-CG 4.03Å; Y46-F250 HydrophobicContact CE2-CD1 4.33Å; Y46-F250 HydrophobicContact CG-CD1 4.19Å; I49-F250 HydrophobicContact CD1-CD2 4.36Å; I49-F250 HydrophobicContact CD1-CE1 4.35Å; I49-F250 HydrophobicContact CD1-CE2 4.13Å; I49-F250 HydrophobicContact CD1-CZ 4.12Å; I49-F250 HydrophobicContact CG1-CZ 4.29Å; C248-F250 VanDerWaalsContact C-N 3.31Å; C248-F250 PolarHBondContact O-N 2.92Å; F250-P254 HydrophobicContact CD2-CB 4.22Å; F250-P254 HydrophobicContact CE2-CB 4.02Å; F250-P254 WeakPolarHBondContact O-CA 3.15Å; F250-P254 WeakPolarHBondContact O-CB 3.41Å; F250-Y257 HydrophobicContact CB-CD1 3.63Å; F250-Y257 HydrophobicContact CB-CD2 4.12Å; F250-Y257 HydrophobicContact CB-CE1 3.8Å; F250-Y257 HydrophobicContact CB-CE2 4.25Å; F250-Y257 HydrophobicContact CB-CG 3.79Å; F250-Y257 AromaticContact CD2-CD1 3.66Å; F250-Y257 HydrophobicContact CD2-CD1 3.66Å; F250-Y257 HydrophobicContact CD2-CE1 4.4Å; F250-Y257 HydrophobicContact CD2-CG 4.1Å; F250-Y257 AromaticContact CG-CD1 3.82Å; F250-Y257 HydrophobicContact CG-CD1 3.82Å; F250-Y257 HydrophobicContact CG-CE1 4.15Å; F250-Y257 HydrophobicContact CG-CG 4.32Å; F250-T258 VanDerWaalsContact CE2-OG1 3.26Å; F250-T258 WeakPolarHBondContact CE2-OG1 3.35Å
251R96.3Very high97.1Very high163 Ų16354.4 Ų54.462%0.61528%0.275SS*.Hα-helixtrans-67.5-44.9177.5-175.8-166.168.7-165.3-3.3111.2C248 H249C248-R251 WeakPolarHBondContact O-CB 3.34Å; C248-R251 PolarHBondContact O-N 3.42Å; H249-R251 VanDerWaalsContact C-N 3.35Å; H249-R251 PolarHBondContact O-N 3.31Å
252D97.1Very high97.1Very high61 Ų6158.4 Ų58.433%0.32629%0.289SS..Hα-helixtrans-84.8-30-172.4-59.3-16000111.5S244 C248 H249S244-D252 VanDerWaalsContact CA-OD2 3.3Å; S244-D252 WeakPolarHBondContact CA-OD2 3.33Å; S244-D252 VanDerWaalsContact CB-OD2 3.31Å; S244-D252 WeakPolarHBondContact CB-OD2 3.22Å; C248-D252 PolarHBondContact O-N 2.9Å; H249-D252 PolarHBondContact O-N 3.31Å
253F97.9Very high97.1Very high63 Ų6360.8 Ų60.828%0.27630%0.296SS..SBendtrans-132.659.4-177-58.2-80.3000112.7F241 S243 H249 E255 Q256 Y257F241-F253 HydrophobicContact CB-CD2 4.1Å; F241-F253 HydrophobicContact CB-CE2 4.1Å; F241-F253 HydrophobicContact CD1-CB 3.78Å; F241-F253 AromaticContact CD1-CD2 3.5Å; F241-F253 HydrophobicContact CD1-CD2 3.5Å; F241-F253 VanDerWaalsContact CD1-CD2 3.5Å; F241-F253 HydrophobicContact CD1-CE2 4.26Å; F241-F253 AromaticContact CD1-CG 3.75Å; F241-F253 HydrophobicContact CD1-CG 3.75Å; F241-F253 HydrophobicContact CE1-CB 3.79Å; F241-F253 HydrophobicContact CE1-CD2 4.36Å; F241-F253 HydrophobicContact CE1-CG 4.27Å; F241-F253 HydrophobicContact CG-CD2 4.2Å; S243-F253 WeakPolarHBondContact OG-CZ 3.44Å; H249-F253 WeakPolarHBondContact O-CA 3.43Å; H249-F253 WeakPolarHBondContact O-CB 3.27Å; H249-F253 PolarHBondContact O-N 2.85Å; F253-E255 PolarHBondContact O-N 2.91Å; F253-Q256 HydrophobicContact CB-CB 4.29Å; F253-Q256 PolarHBondContact O-N 2.8Å; F253-Y257 WeakPolarHBondContact O-CB 3.35Å; F253-Y257 PolarHBondContact O-N 3.49Å
254P97.5Very high97.2Very high63 Ų6357.5 Ų57.541%0.40927%0.272SS..Hα-helixtrans-58.8-49.8-168.621.5-33.2000113.7F250 Y257 T258F250-P254 HydrophobicContact CD2-CB 4.22Å; F250-P254 HydrophobicContact CE2-CB 4.02Å; F250-P254 WeakPolarHBondContact O-CA 3.15Å; F250-P254 WeakPolarHBondContact O-CB 3.41Å; P254-Y257 PolarHBondContact O-N 3.45Å; P254-T258 VanDerWaalsContact O-CB 3.3Å; P254-T258 WeakPolarHBondContact O-CB 3.26Å; P254-T258 PolarHBondContact O-N 3.49Å; P254-T258 PolarHBondContact O-OG1 3.38Å; P254-T258 VanDerWaalsContact O-OG1 3.06Å
255E97.7Very high97.2Very high154 Ų15457.7 Ų57.772%0.7227%0.272SS*.Hα-helixtrans-64.9-44.7-177.8-64.1-176.4-17500112.5F253 R259F253-E255 PolarHBondContact O-N 2.91Å; E255-R259 VanDerWaalsContact O-CB 3.26Å; E255-R259 WeakPolarHBondContact O-CB 3.23Å; E255-R259 PolarHBondContact O-N 3.04Å
256Q98.1Very high97.1Very high86 Ų8658.9 Ų58.940%0.40228%0.275SS..Hα-helixtrans-64.1-48.3179.4-174.8-175.832.600110.2F241 F253 R259 K260F241-Q256 HydrophobicContact CE1-CB 4.45Å; F241-Q256 HydrophobicContact CE1-CG 4.15Å; F253-Q256 HydrophobicContact CB-CB 4.29Å; F253-Q256 PolarHBondContact O-N 2.8Å; Q256-R259 PolarHBondContact O-N 3.44Å; Q256-K260 HydrophobicContact CG-CG 4.4Å; Q256-K260 WeakPolarHBondContact O-CB 3.43Å; Q256-K260 WeakPolarHBondContact O-CG 3.33Å; Q256-K260 PolarHBondContact O-N 3.39Å
257Y98.4Very high97.1Very high0 Ų059.2 Ų59.20%028%0.284CS..Hα-helixtrans-60-51.7179.9-173.1-82.2000111.5Y46 I49 H102 D136 L209 F241 H249 F250 F253 P254 R259 K260 C261Y46-Y257 AromaticContact CD1-CE1 3.91Å; Y46-Y257 HydrophobicContact CD1-CE1 3.91Å; Y46-Y257 HydrophobicContact CE1-CE1 4.13Å; Y46-Y257 AromaticContact CE1-CZ 3.94Å; Y46-Y257 WeakPolarHBondContact CE1-OH 3.39Å; I49-Y257 HydrophobicContact CD1-CD1 3.96Å; I49-Y257 HydrophobicContact CD1-CE1 3.96Å; H102-Y257 AromaticContact CE1-CE1 3.99Å; H102-Y257 AromaticContact CE1-CZ 3.89Å; H102-Y257 PolarHBondContact CE1-OH 2.76Å; H102-Y257 PolarHBondContact NE2-OH 2.79Å; D136-Y257 WeakPolarHBondContact OD2-CE2 3.37Å; D136-Y257 VanDerWaalsContact OD2-CZ 3.31Å; D136-Y257 PolarHBondContact OD2-OH 3.42Å; L209-Y257 HydrophobicContact CD1-CD2 3.99Å; L209-Y257 HydrophobicContact CD1-CE2 3.44Å; L209-Y257 VanDerWaalsContact CD1-CE2 3.44Å; F241-Y257 HydrophobicContact CE1-CD2 4.45Å; F241-Y257 HydrophobicContact CE2-CD2 4.19Å; F241-Y257 AromaticContact CZ-CD2 3.76Å; F241-Y257 HydrophobicContact CZ-CD2 3.76Å; F241-Y257 HydrophobicContact CZ-CG 4.44Å; H249-Y257 HydrophobicContact CB-CD2 3.53Å; H249-Y257 HydrophobicContact CB-CE2 3.68Å; F250-Y257 HydrophobicContact CB-CD1 3.63Å; F250-Y257 HydrophobicContact CB-CD2 4.12Å; F250-Y257 HydrophobicContact CB-CE1 3.8Å; F250-Y257 HydrophobicContact CB-CE2 4.25Å; F250-Y257 HydrophobicContact CB-CG 3.79Å; F250-Y257 AromaticContact CD2-CD1 3.66Å; F250-Y257 HydrophobicContact CD2-CD1 3.66Å; F250-Y257 HydrophobicContact CD2-CE1 4.4Å; F250-Y257 HydrophobicContact CD2-CG 4.1Å; F250-Y257 AromaticContact CG-CD1 3.82Å; F250-Y257 HydrophobicContact CG-CD1 3.82Å; F250-Y257 HydrophobicContact CG-CE1 4.15Å; F250-Y257 HydrophobicContact CG-CG 4.32Å; F253-Y257 WeakPolarHBondContact O-CB 3.35Å; F253-Y257 PolarHBondContact O-N 3.49Å; P254-Y257 PolarHBondContact O-N 3.45Å; Y257-R259 VanDerWaalsContact C-N 3.33Å; Y257-R259 PolarHBondContact O-N 3.49Å; Y257-K260 PolarHBondContact O-N 3.42Å; Y257-C261 VanDerWaalsContact CE1-SG 3.54Å; Y257-C261 PolarHBondContact O-N 3.01Å; Y257-C261 PolarHBondContact O-SG 3.41Å; Y257-C261 VanDerWaalsContact O-SG 3.41Å
258T98.1Very high97.2Very high30 Ų3059.1 Ų59.118%0.18428%0.283CS..Hα-helixtrans-59.1-43.7178.6-67.20000111.9I49 F250 P254 R262I49-T258 HydrophobicContact CG1-CG2 4.3Å; I49-T258 HydrophobicContact CG2-CG2 4.06Å; F250-T258 VanDerWaalsContact CE2-OG1 3.26Å; F250-T258 WeakPolarHBondContact CE2-OG1 3.35Å; P254-T258 VanDerWaalsContact O-CB 3.3Å; P254-T258 WeakPolarHBondContact O-CB 3.26Å; P254-T258 PolarHBondContact O-N 3.49Å; P254-T258 PolarHBondContact O-OG1 3.38Å; P254-T258 VanDerWaalsContact O-OG1 3.06Å; T258-R262 WeakPolarHBondContact O-CB 3.45Å; T258-R262 VanDerWaalsContact O-CG 3.3Å; T258-R262 WeakPolarHBondContact O-CG 3.14Å; T258-R262 PolarHBondContact O-N 2.79Å
259R98Very high97Very high157 Ų15758.3 Ų58.359%0.59228%0.277SS*.Hα-helixtrans-61.1-49.8176.4-174.9-177.6-57.1177.83.8111.1E255 Q256 Y257 C261 R262 D263E255-R259 VanDerWaalsContact O-CB 3.26Å; E255-R259 WeakPolarHBondContact O-CB 3.23Å; E255-R259 PolarHBondContact O-N 3.04Å; Q256-R259 PolarHBondContact O-N 3.44Å; Y257-R259 VanDerWaalsContact C-N 3.33Å; Y257-R259 PolarHBondContact O-N 3.49Å; R259-C261 PolarHBondContact O-N 3.39Å; R259-R262 PolarHBondContact O-N 3.1Å; R259-D263 WeakPolarHBondContact CG-OD2 3.42Å; R259-D263 WeakPolarHBondContact O-CB 3.29Å; R259-D263 PolarHBondContact O-N 3.45Å
260K98.3Very high96.5Very high85 Ų8565.2 Ų65.237%0.3731%0.307SS..Hα-helixtrans-57.4-47.2179.4-74.4-59.9-170.2-177.80112.1F207 Q256 Y257 F264F207-K260 HydrophobicContact CE1-CB 3.78Å; F207-K260 HydrophobicContact CE1-CD 4.42Å; F207-K260 WeakPolarHBondContact CE1-O 3.35Å; F207-K260 HydrophobicContact CZ-CB 4.03Å; F207-K260 HydrophobicContact CZ-CD 4.04Å; F207-K260 HydrophobicContact CZ-CG 4.34Å; Q256-K260 HydrophobicContact CG-CG 4.4Å; Q256-K260 WeakPolarHBondContact O-CB 3.43Å; Q256-K260 WeakPolarHBondContact O-CG 3.33Å; Q256-K260 PolarHBondContact O-N 3.39Å; Y257-K260 PolarHBondContact O-N 3.42Å; K260-F264 WeakPolarHBondContact O-CB 3.44Å; K260-F264 PolarHBondContact O-N 3.35Å; K260-F264 VanDerWaalsContact O-N 3.12Å
261C98.4Very high95.9Very high0 Ų069.3 Ų69.30%033%0.33CS..Hα-helixtrans-62.5-43.6177.4-68.10000112.5I49 Y257 R259 L265I49-C261 HydrophobicContact CG2-CB 4.25Å; Y257-C261 VanDerWaalsContact CE1-SG 3.54Å; Y257-C261 PolarHBondContact O-N 3.01Å; Y257-C261 PolarHBondContact O-SG 3.41Å; Y257-C261 VanDerWaalsContact O-SG 3.41Å; R259-C261 PolarHBondContact O-N 3.39Å; C261-L265 PolarHBondContact O-N 2.94Å; C261-L265 VanDerWaalsContact O-N 3.09Å
262R96.7Very high94.9Very high90 Ų9062.6 Ų62.634%0.3431%0.309SS..Hα-helixtrans-67.8-45.9-179.7-76.1169.950170.6-8112.3I49 K53 T258 R259 F264 L265 V266I49-R262 HydrophobicContact CG2-CG 3.84Å; K53-R262 HydrophobicContact CG-CG 4.45Å; T258-R262 WeakPolarHBondContact O-CB 3.45Å; T258-R262 VanDerWaalsContact O-CG 3.3Å; T258-R262 WeakPolarHBondContact O-CG 3.14Å; T258-R262 PolarHBondContact O-N 2.79Å; R259-R262 PolarHBondContact O-N 3.1Å; R262-F264 VanDerWaalsContact C-N 3.27Å; R262-F264 PolarHBondContact O-N 2.65Å; R262-L265 PolarHBondContact O-N 2.55Å; R262-V266 WeakPolarHBondContact O-CG2 3.27Å; R262-V266 PolarHBondContact O-N 3.04Å
263D97.4Very high93.6Very high93 Ų9364.3 Ų64.350%0.49732%0.315SS..Hα-helixtrans-61.8-40.4-179.8-68.3-9.3000110.5R259 V266 A267R259-D263 WeakPolarHBondContact CG-OD2 3.42Å; R259-D263 WeakPolarHBondContact O-CB 3.29Å; R259-D263 PolarHBondContact O-N 3.45Å; D263-V266 PolarHBondContact O-N 2.93Å; D263-A267 WeakPolarHBondContact O-CB 3.49Å; D263-A267 PolarHBondContact O-N 3.42Å
264F98.2Very high91.7Very high14 Ų1462.2 Ų62.26%0.06131%0.311CS..Hα-helixtrans-66.1-44.8176.6-176.7-120.1000112.4F100 V134 P205 F207 H237 K260 R262 V266 A267 C268F100-F264 AromaticContact CE2-CD1 3.99Å; F100-F264 HydrophobicContact CE2-CD1 3.99Å; F100-F264 AromaticContact CE2-CE1 3.95Å; F100-F264 HydrophobicContact CE2-CE1 3.95Å; F100-F264 AromaticContact CZ-CD1 3.65Å; F100-F264 HydrophobicContact CZ-CD1 3.65Å; F100-F264 AromaticContact CZ-CE1 3.89Å; F100-F264 HydrophobicContact CZ-CE1 3.89Å; V134-F264 HydrophobicContact CG2-CD1 3.71Å; V134-F264 HydrophobicContact CG2-CE1 4.21Å; P205-F264 HydrophobicContact CB-CE2 4.18Å; P205-F264 HydrophobicContact CB-CZ 4.02Å; P205-F264 HydrophobicContact CG-CE2 4.44Å; P205-F264 HydrophobicContact CG-CZ 4.19Å; F207-F264 HydrophobicContact CB-CD1 3.43Å; F207-F264 VanDerWaalsContact CB-CD1 3.43Å; F207-F264 HydrophobicContact CB-CD2 3.96Å; F207-F264 HydrophobicContact CB-CE1 3.43Å; F207-F264 VanDerWaalsContact CB-CE1 3.43Å; F207-F264 HydrophobicContact CB-CE2 3.95Å; F207-F264 HydrophobicContact CB-CG 3.73Å; F207-F264 HydrophobicContact CB-CZ 3.7Å; F207-F264 HydrophobicContact CD1-CB 3.57Å; F207-F264 AromaticContact CD1-CD1 3.87Å; F207-F264 HydrophobicContact CD1-CD1 3.87Å; F207-F264 HydrophobicContact CD1-CD2 4.27Å; F207-F264 AromaticContact CD1-CG 3.64Å; F207-F264 HydrophobicContact CD1-CG 3.64Å; F207-F264 HydrophobicContact CE1-CB 4.12Å; F207-F264 HydrophobicContact CG-CB 4.45Å; F207-F264 HydrophobicContact CG-CD1 4.14Å; F207-F264 HydrophobicContact CG-CD2 4.36Å; F207-F264 HydrophobicContact CG-CG 4.06Å; H237-F264 AromaticContact CD2-CE2 3.63Å; K260-F264 WeakPolarHBondContact O-CB 3.44Å; K260-F264 PolarHBondContact O-N 3.35Å; K260-F264 VanDerWaalsContact O-N 3.12Å; R262-F264 VanDerWaalsContact C-N 3.27Å; R262-F264 PolarHBondContact O-N 2.65Å; F264-V266 VanDerWaalsContact C-N 3.34Å; F264-V266 PolarHBondContact O-N 3.26Å; F264-A267 PolarHBondContact O-N 3.45Å; F264-C268 VanDerWaalsContact CE2-SG 3.58Å; F264-C268 VanDerWaalsContact CZ-SG 3.57Å; F264-C268 PolarHBondContact O-N 3.25Å; F264-C268 PolarHBondContact O-SG 2.56Å
265L96.7Very high89.2Confident4 Ų464.7 Ų64.72%0.02133%0.327CS..Hα-helixtrans-57-46.8173.8173.664.3000111.8Y50 F100 L131 C261 R262 A267 C268 M269Y50-L265 HydrophobicContact CD1-CD2 3.89Å; Y50-L265 HydrophobicContact CE1-CD2 4.27Å; F100-L265 HydrophobicContact CB-CD1 4.14Å; F100-L265 HydrophobicContact CD1-CD1 4.29Å; F100-L265 HydrophobicContact CD2-CD1 3.61Å; F100-L265 HydrophobicContact CE2-CB 4.3Å; F100-L265 HydrophobicContact CE2-CD1 3.98Å; F100-L265 HydrophobicContact CG-CD1 3.77Å; F100-L265 HydrophobicContact CZ-CB 4.24Å; F100-L265 HydrophobicContact CZ-CD1 4.43Å; L131-L265 HydrophobicContact CD1-CD1 4.15Å; C261-L265 PolarHBondContact O-N 2.94Å; C261-L265 VanDerWaalsContact O-N 3.09Å; R262-L265 PolarHBondContact O-N 2.55Å; L265-A267 VanDerWaalsContact C-N 3.34Å; L265-A267 PolarHBondContact O-N 2.92Å; L265-C268 PolarHBondContact O-N 2.85Å; L265-M269 WeakPolarHBondContact O-CG 3.39Å; L265-M269 PolarHBondContact O-N 2.99Å
266V94.4Very high86.7Confident70 Ų7064.3 Ų64.342%0.42433%0.325SS..Hα-helixtrans-64.2-39.6179.4170.60000111.4R262 D263 F264 M269 K270R262-V266 WeakPolarHBondContact O-CG2 3.27Å; R262-V266 PolarHBondContact O-N 3.04Å; D263-V266 PolarHBondContact O-N 2.93Å; F264-V266 VanDerWaalsContact C-N 3.34Å; F264-V266 PolarHBondContact O-N 3.26Å; V266-M269 PolarHBondContact O-N 3.44Å; V266-K270 HydrophobicContact CG1-CD 4.35Å; V266-K270 WeakPolarHBondContact O-CG 3.49Å; V266-K270 PolarHBondContact O-N 2.87Å; V266-K270 VanDerWaalsContact O-N 3.09Å
267A95.2Very high84.5Confident42 Ų4261.3 Ų61.335%0.34732%0.315SS..Hα-helixtrans-61.4-49.6175.100000111.2D263 F264 L265 M269 K270 D271D263-A267 WeakPolarHBondContact O-CB 3.49Å; D263-A267 PolarHBondContact O-N 3.42Å; F264-A267 PolarHBondContact O-N 3.45Å; L265-A267 VanDerWaalsContact C-N 3.34Å; L265-A267 PolarHBondContact O-N 2.92Å; A267-M269 VanDerWaalsContact C-N 3.3Å; A267-M269 PolarHBondContact O-N 3.41Å; A267-K270 PolarHBondContact O-N 3.2Å; A267-K270 VanDerWaalsContact O-N 3.17Å; A267-D271 PolarHBondContact O-N 2.79Å
268C95.1Very high81.9Confident5 Ų567.9 Ų67.93%0.03434%0.344CS..Hα-helixtrans-60.2-38.3177.5-63.90000112.6L131 F264 L265 S272L131-C268 HydrophobicContact CB-CB 4Å; F264-C268 VanDerWaalsContact CE2-SG 3.58Å; F264-C268 VanDerWaalsContact CZ-SG 3.57Å; F264-C268 PolarHBondContact O-N 3.25Å; F264-C268 PolarHBondContact O-SG 2.56Å; L265-C268 PolarHBondContact O-N 2.85Å; C268-S272 WeakPolarHBondContact O-CB 3.49Å; C268-S272 PolarHBondContact O-N 2.92Å; C268-S272 VanDerWaalsContact O-N 3.13Å
269M91.5Very high79Confident10 Ų1073.9 Ų73.95%0.04937%0.367CS..Hα-helixtrans-60.5-49.2174.5-81.4-62.7-70.800111.7W22 P28 P98 L131 L265 V266 A267 D271 S272 E273W22-M269 HydrophobicContact CE3-CE 4.21Å; W22-M269 HydrophobicContact CH2-CE 4.46Å; W22-M269 HydrophobicContact CH2-CG 4.32Å; W22-M269 HydrophobicContact CZ3-CE 3.66Å; W22-M269 HydrophobicContact CZ3-CG 4.25Å; P28-M269 HydrophobicContact CG-CE 4.31Å; P28-M269 HydrophobicContact CG-CG 4.44Å; P28-M269 HydrophobicContact CG-SD 3.88Å; P98-M269 HydrophobicContact CB-SD 4.16Å; P98-M269 HydrophobicContact CG-CE 4.29Å; P98-M269 HydrophobicContact CG-SD 4.03Å; L131-M269 HydrophobicContact CD1-CG 3.87Å; L131-M269 HydrophobicContact CD1-SD 3.32Å; L131-M269 WeakPolarHBondContact CD1-SD 3.36Å; L131-M269 HydrophobicContact CD2-SD 4.01Å; L131-M269 HydrophobicContact CG-SD 4.28Å; L265-M269 WeakPolarHBondContact O-CG 3.39Å; L265-M269 PolarHBondContact O-N 2.99Å; V266-M269 PolarHBondContact O-N 3.44Å; A267-M269 VanDerWaalsContact C-N 3.3Å; A267-M269 PolarHBondContact O-N 3.41Å; M269-D271 PolarHBondContact O-N 2.87Å; M269-S272 PolarHBondContact O-N 3.39Å; M269-S272 PolarHBondContact O-OG 2.91Å; M269-E273 PolarHBondContact O-N 3.38Å
270K88.9Confident76.6Confident145 Ų14575 Ų7563%0.6337%0.372SS*.Hα-helixtrans-62.2-44-179.6-72176.1179.6-178.40112.5V266 A267 S272 E273 G274V266-K270 HydrophobicContact CG1-CD 4.35Å; V266-K270 WeakPolarHBondContact O-CG 3.49Å; V266-K270 PolarHBondContact O-N 2.87Å; V266-K270 VanDerWaalsContact O-N 3.09Å; A267-K270 PolarHBondContact O-N 3.2Å; A267-K270 VanDerWaalsContact O-N 3.17Å; K270-S272 PolarHBondContact O-N 3.4Å; K270-E273 PolarHBondContact O-N 2.92Å; K270-E273 VanDerWaalsContact O-N 3.15Å; K270-G274 PolarHBondContact O-N 3.17Å
271D84.4Confident74Confident120 Ų12075.6 Ų75.664%0.64238%0.376SS*.Hα-helixtrans-64-32.9179.9-68.3-15.2000111.5A267 M269 E273 G274A267-D271 PolarHBondContact O-N 2.79Å; M269-D271 PolarHBondContact O-N 2.87Å; D271-E273 VanDerWaalsContact C-N 3.31Å; D271-E273 PolarHBondContact O-N 2.91Å; D271-G274 PolarHBondContact O-N 3.42Å
272S74.4Confident71.1Confident23 Ų2382.9 Ų82.916%0.16140%0.404CS..Hα-helixtrans-71.9-21.4177.581.80000114.4R129 C268 M269 K270 A277R129-S272 VanDerWaalsContact NH1-CB 3.26Å; R129-S272 PolarHBondContact NH1-OG 2.96Å; C268-S272 WeakPolarHBondContact O-CB 3.49Å; C268-S272 PolarHBondContact O-N 2.92Å; C268-S272 VanDerWaalsContact O-N 3.13Å; M269-S272 PolarHBondContact O-N 3.39Å; M269-S272 PolarHBondContact O-OG 2.91Å; K270-S272 PolarHBondContact O-N 3.4Å; S272-A277 WeakPolarHBondContact O-CB 3.34Å
273E70.7Confident68.4Low96 Ų9683.7 Ų83.745%0.44942%0.419SS..Hα-helixtrans-97-8-179.9-68.3179.6175.600112.9M269 K270 D271M269-E273 PolarHBondContact O-N 3.38Å; K270-E273 PolarHBondContact O-N 2.92Å; K270-E273 VanDerWaalsContact O-N 3.15Å; D271-E273 VanDerWaalsContact C-N 3.31Å; D271-E273 PolarHBondContact O-N 2.91Å
274G58.3Low65.6Low19 Ų1987.1 Ų87.120%0.19643%0.432CS..SBendtrans-63.6160.2-177.300000114.4K270 D271 E276 A277 K278K270-G274 PolarHBondContact O-N 3.17Å; D271-G274 PolarHBondContact O-N 3.42Å; G274-E276 PolarHBondContact O-N 2.82Å; G274-E276 VanDerWaalsContact O-N 3.11Å; G274-A277 PolarHBondContact O-N 3.35Å; G274-K278 PolarHBondContact O-N 2.86Å
275P43.6Very low62.8Low115 Ų11590.9 Ų90.975%0.74746%0.46SS*.Hα-helixtrans-56.6-30-176.7-22.831.5000114.5
276E46.4Very low59.9Low147 Ų147100 Ų10069%0.68750%0.502SS*.Hα-helixtrans-77.8-30.7178.6-64.2-156.6157.700113.5G274 K279 R280G274-E276 PolarHBondContact O-N 2.82Å; G274-E276 VanDerWaalsContact O-N 3.11Å; E276-K279 PolarHBondContact O-N 3.28Å; E276-R280 PolarHBondContact O-N 3.26Å
277A50.8Low58.2Low23 Ų23101.5 Ų101.519%0.1951%0.506CS..Hα-helixtrans-70.2-37.7176.200000111.4S272 G274 K279 R280 Q281S272-A277 WeakPolarHBondContact O-CB 3.34Å; G274-A277 PolarHBondContact O-N 3.35Å; A277-K279 VanDerWaalsContact C-N 3.3Å; A277-K279 PolarHBondContact O-N 3.35Å; A277-R280 PolarHBondContact O-N 2.84Å; A277-R280 VanDerWaalsContact O-N 3.14Å; A277-Q281 PolarHBondContact O-N 3.03Å
278K43.5Very low56.2Low138 Ų138104.6 Ų104.660%0.652%0.515SS*.Hα-helixtrans-61.4-35.1173.1-68.1-174.7-179.4-178.80112.8G274 Y282G274-K278 PolarHBondContact O-N 2.86Å; K278-Y282 WeakPolarHBondContact O-CB 3.42Å; K278-Y282 PolarHBondContact O-N 2.9Å
279K37.4Very low54Low156 Ų156110.2 Ų110.268%0.67854%0.541SS*.Hα-helixtrans-67.3-38.9172.9-87.9-176.9175.8178.70112.5E276 A277 V283E276-K279 PolarHBondContact O-N 3.28Å; A277-K279 VanDerWaalsContact C-N 3.3Å; A277-K279 PolarHBondContact O-N 3.35Å; K279-V283 VanDerWaalsContact O-CG2 3.3Å; K279-V283 WeakPolarHBondContact O-CG2 3.35Å; K279-V283 PolarHBondContact O-N 3.45Å
280R47.3Very low51.8Low181 Ų181116.1 Ų116.168%0.68357%0.57SS**Hα-helixtrans-67.9-40.3177.3-69-177.7-171.5-179.74.5112.2E276 A277 V283 Q284E276-R280 PolarHBondContact O-N 3.26Å; A277-R280 PolarHBondContact O-N 2.84Å; A277-R280 VanDerWaalsContact O-N 3.14Å; R280-V283 PolarHBondContact O-N 3.07Å; R280-Q284 PolarHBondContact O-N 3.23Å
281Q44.8Very low49.5Very low97 Ų97114.3 Ų114.345%0.45357%0.567SS.*Hα-helixtrans-65.3-41.4174.8-74.8-179.4-28.300112.3A277 V283 Q284 S285A277-Q281 PolarHBondContact O-N 3.03Å; Q281-V283 VanDerWaalsContact C-N 3.32Å; Q281-V283 PolarHBondContact O-N 3.45Å; Q281-Q284 PolarHBondContact O-N 3Å; Q281-S285 PolarHBondContact O-N 2.97Å; Q281-S285 VanDerWaalsContact O-N 3.12Å; Q281-S285 PolarHBondContact O-OG 3.04Å
282Y36.5Very low47.2Very low152 Ų152113.9 Ų113.960%0.59656%0.562SS**Hα-helixtrans-63.2-36.5178.2-170.3-100.7000113.1K278 S285K278-Y282 WeakPolarHBondContact O-CB 3.42Å; K278-Y282 PolarHBondContact O-N 2.9Å; Y282-S285 WeakPolarHBondContact CA-OG 3.43Å; Y282-S285 PolarHBondContact O-OG 2.87Å
283V41.1Very low45.3Very low107 Ų107120.4 Ų120.465%0.64859%0.59SS**Hα-helixtrans-75.3-25.8178.3173.60000112.6K279 R280 Q281K279-V283 VanDerWaalsContact O-CG2 3.3Å; K279-V283 WeakPolarHBondContact O-CG2 3.35Å; K279-V283 PolarHBondContact O-N 3.45Å; R280-V283 PolarHBondContact O-N 3.07Å; Q281-V283 VanDerWaalsContact C-N 3.32Å; Q281-V283 PolarHBondContact O-N 3.45Å
284Q37.9Very low43.3Very low165 Ų165122.2 Ų122.277%0.77160%0.601SS**Hα-helixtrans-85.3-16.5175.2-74.9179-28.400113.5R280 Q281R280-Q284 PolarHBondContact O-N 3.23Å; Q281-Q284 PolarHBondContact O-N 3Å
285S40.5Very low42.1Very low93 Ų93130.8 Ų130.865%0.6564%0.635SS**  trans-93.34.7176.260.80000114.6Q281 Y282Q281-S285 PolarHBondContact O-N 2.97Å; Q281-S285 VanDerWaalsContact O-N 3.12Å; Q281-S285 PolarHBondContact O-OG 3.04Å; Y282-S285 WeakPolarHBondContact CA-OG 3.43Å; Y282-S285 PolarHBondContact O-OG 2.87Å
286Q34.8Very low41.9Very low196 Ų196132.3 Ų132.392%0.91663%0.625SS**  trans-111.60173.2-71.2-117.5-28.300109.5

Retrieved 286 of 286 residues in 551.5 ms (Link to these results)

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