Q2FX08_STAA8 Loading...

Sensor protein VraS

AlphaFold DB , UniProt , Accession Q2FX08, Species STAA8 (Staphylococcus aureus (strain NCTC 8325 / PS 47)), Gene n/a, Length 347 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
1M46.5Very low68.3Low215 Ų215108.2 Ų108.2100%1.05954%0.538SS*.  0110.30-169.515569.100106.9H3 I5M1-H3 PolarHBondContact O-N 3.28Å; M1-I5 HydrophobicContact CG-CD1 4.37Å
2N52.5Low69.5Low113 Ų113106.2 Ų106.260%0.60453%0.53SS*.  trans-47.6133.8-161.2-80.9-16.4000113.2Y4 I5 R6N2-Y4 CarbonylContact O-C 3.57Å; N2-Y4 PolarHBondContact O-N 3.47Å; N2-I5 HydrophobicContact CB-CD1 4.2Å; N2-I5 HydrophobicContact CB-CG1 4.23Å; N2-I5 WeakPolarHBondContact O-CA 3.15Å; N2-I5 WeakPolarHBondContact O-CB 3.19Å; N2-I5 PolarHBondContact O-N 3.27Å; N2-R6 PolarHBondContact O-N 2.63Å
3H54.7Low70.5Confident112 Ų112107.4 Ų107.452%0.51954%0.537SS..Hα-helixtrans-44-38.5172.8174.1-92.4000112.1M1 I5 R6 T7M1-H3 PolarHBondContact O-N 3.28Å; H3-I5 PolarHBondContact O-N 3.39Å; H3-R6 PolarHBondContact O-N 3.42Å; H3-T7 PolarHBondContact O-N 3.28Å; H3-T7 PolarHBondContact O-OG1 2.84Å
4Y65.3Low71.2Confident170 Ų170106.1 Ų106.167%0.66753%0.532SS*.Hα-helixtrans-53.7-45.6172-71.2-78.4000113.2N2 R6 T7 I8N2-Y4 CarbonylContact O-C 3.57Å; N2-Y4 PolarHBondContact O-N 3.47Å; Y4-R6 PolarHBondContact O-N 2.82Å; Y4-T7 WeakPolarHBondContact CA-OG1 3.06Å; Y4-T7 PolarHBondContact O-OG1 3.33Å; Y4-I8 WeakPolarHBondContact O-CB 3.24Å; Y4-I8 VanDerWaalsContact O-CD1 3.23Å; Y4-I8 WeakPolarHBondContact O-CD1 3.11Å; Y4-I8 WeakPolarHBondContact O-CG1 3.24Å; Y4-I8 PolarHBondContact O-N 3.41Å
5I72.2Confident71.7Confident98 Ų98104.2 Ų104.250%0.50353%0.528SS..Hα-helixtrans-66.6-39.3179.6-60.2169.7000110.8M1 N2 H3 G9M1-I5 HydrophobicContact CG-CD1 4.37Å; N2-I5 HydrophobicContact CB-CD1 4.2Å; N2-I5 HydrophobicContact CB-CG1 4.23Å; N2-I5 WeakPolarHBondContact O-CA 3.15Å; N2-I5 WeakPolarHBondContact O-CB 3.19Å; N2-I5 PolarHBondContact O-N 3.27Å; H3-I5 PolarHBondContact O-N 3.39Å; I5-G9 WeakPolarHBondContact O-CA 3.1Å; I5-G9 PolarHBondContact O-N 2.78Å
6R71.2Confident72.2Confident131 Ų131107.3 Ų107.349%0.49453%0.533SS..Hα-helixtrans-72.9-41.7178.8-165.2178.370.3-152.1-5.1112N2 H3 Y4 G9 S10 E103N2-R6 PolarHBondContact O-N 2.63Å; H3-R6 PolarHBondContact O-N 3.42Å; Y4-R6 PolarHBondContact O-N 2.82Å; R6-G9 PolarHBondContact O-N 2.81Å; R6-S10 WeakPolarHBondContact O-CB 3.44Å; R6-S10 PolarHBondContact O-N 3.37Å; R6-S10 PolarHBondContact O-OG 3.3Å; R6-E103 IonicContact CZ-OE1 2.66Å; R6-E103 IonicContact NH1-OE1 2.8Å; R6-E103 PolarHBondContact NH1-OE1 3.34Å; R6-E103 IonicContact NH1-OE2 3.01Å; R6-E103 IonicContact NH2-OE1 3.94Å; R6-E103 PolarHBondContact NH2-OE1 2.76Å; R6-E103 IonicContact NH2-OE2 3.32Å
7T74.2Confident72.5Confident47 Ų47104.8 Ų104.829%0.28853%0.528SS..Hα-helixtrans-66.5-45.1174.933.80000111H3 Y4 G9 S10 M11H3-T7 PolarHBondContact O-N 3.28Å; H3-T7 PolarHBondContact O-OG1 2.84Å; Y4-T7 WeakPolarHBondContact CA-OG1 3.06Å; Y4-T7 PolarHBondContact O-OG1 3.33Å; T7-G9 VanDerWaalsContact C-N 3.29Å; T7-G9 PolarHBondContact O-N 2.65Å; T7-S10 WeakPolarHBondContact CA-OG 3.5Å; T7-S10 PolarHBondContact O-N 3.07Å; T7-S10 PolarHBondContact O-OG 2.74Å; T7-M11 VanDerWaalsContact O-CB 3.31Å; T7-M11 WeakPolarHBondContact O-CB 3.32Å; T7-M11 VanDerWaalsContact O-CG 3.24Å; T7-M11 WeakPolarHBondContact O-CG 3.32Å; T7-M11 PolarHBondContact O-N 3.35Å
8I77.7Confident72.9Confident96 Ų96104.4 Ų104.449%0.49253%0.526SS..Hα-helixtrans-57.8-43.9171.1-69.1163.9000110.2Y4 M11 L12Y4-I8 WeakPolarHBondContact O-CB 3.24Å; Y4-I8 VanDerWaalsContact O-CD1 3.23Å; Y4-I8 WeakPolarHBondContact O-CD1 3.11Å; Y4-I8 WeakPolarHBondContact O-CG1 3.24Å; Y4-I8 PolarHBondContact O-N 3.41Å; I8-M11 PolarHBondContact O-N 2.95Å; I8-L12 HydrophobicContact CG2-CD1 3.69Å; I8-L12 HydrophobicContact CG2-CG 4.16Å; I8-L12 VanDerWaalsContact O-CB 3.23Å; I8-L12 WeakPolarHBondContact O-CB 3.36Å; I8-L12 WeakPolarHBondContact O-CG 3.45Å; I8-L12 PolarHBondContact O-N 3.42Å
9G79.4Confident73.2Confident26 Ų26103.5 Ų103.527%0.26852%0.522SS..Hα-helixtrans-60.5-47.6176.500000112.5I5 R6 T7 L12 I13I5-G9 WeakPolarHBondContact O-CA 3.1Å; I5-G9 PolarHBondContact O-N 2.78Å; R6-G9 PolarHBondContact O-N 2.81Å; T7-G9 VanDerWaalsContact C-N 3.29Å; T7-G9 PolarHBondContact O-N 2.65Å; G9-L12 PolarHBondContact O-N 3.46Å; G9-I13 WeakPolarHBondContact O-CB 3.24Å; G9-I13 WeakPolarHBondContact O-CD1 3.16Å; G9-I13 WeakPolarHBondContact O-CG1 3.43Å; G9-I13 PolarHBondContact O-N 3.39Å
10S78.2Confident73.3Confident60 Ų60101.2 Ų101.242%0.4252%0.519SS..Hα-helixtrans-66.2-38.917765.20000112.6R6 T7 I13 L14R6-S10 WeakPolarHBondContact O-CB 3.44Å; R6-S10 PolarHBondContact O-N 3.37Å; R6-S10 PolarHBondContact O-OG 3.3Å; T7-S10 WeakPolarHBondContact CA-OG 3.5Å; T7-S10 PolarHBondContact O-N 3.07Å; T7-S10 PolarHBondContact O-OG 2.74Å; S10-I13 PolarHBondContact O-N 3.24Å; S10-L14 WeakPolarHBondContact O-CB 3.4Å; S10-L14 PolarHBondContact O-N 3.13Å
11M79.6Confident73.4Confident122 Ų12298.6 Ų98.660%0.60151%0.513SS*.Hα-helixtrans-66.9-41.4175.2-74.3-68.1-178.900110.6T7 I8 L14 V15T7-M11 VanDerWaalsContact O-CB 3.31Å; T7-M11 WeakPolarHBondContact O-CB 3.32Å; T7-M11 VanDerWaalsContact O-CG 3.24Å; T7-M11 WeakPolarHBondContact O-CG 3.32Å; T7-M11 PolarHBondContact O-N 3.35Å; I8-M11 PolarHBondContact O-N 2.95Å; M11-L14 PolarHBondContact O-N 3.34Å; M11-V15 WeakPolarHBondContact O-CB 3.46Å; M11-V15 WeakPolarHBondContact O-CG2 3.4Å; M11-V15 PolarHBondContact O-N 3.42Å
12L82.2Confident74.8Confident84 Ų8493.8 Ų93.844%0.4449%0.486SS..Hα-helixtrans-61.9-47.3172.9-78.4169.2000110.4I8 G9 L14 V15 Y16I8-L12 HydrophobicContact CG2-CD1 3.69Å; I8-L12 HydrophobicContact CG2-CG 4.16Å; I8-L12 VanDerWaalsContact O-CB 3.23Å; I8-L12 WeakPolarHBondContact O-CB 3.36Å; I8-L12 WeakPolarHBondContact O-CG 3.45Å; I8-L12 PolarHBondContact O-N 3.42Å; G9-L12 PolarHBondContact O-N 3.46Å; L12-L14 VanDerWaalsContact C-N 3.29Å; L12-L14 PolarHBondContact O-N 2.72Å; L12-V15 PolarHBondContact O-N 2.83Å; L12-Y16 HydrophobicContact CB-CD2 4.25Å; L12-Y16 HydrophobicContact CB-CE2 4.38Å; L12-Y16 HydrophobicContact CD2-CE2 4.13Å; L12-Y16 VanDerWaalsContact O-CB 3.27Å; L12-Y16 WeakPolarHBondContact O-CB 3.21Å; L12-Y16 WeakPolarHBondContact O-CD2 3.25Å; L12-Y16 PolarHBondContact O-N 2.79Å
13I82.7Confident75.7Confident122 Ų12292.8 Ų92.863%0.62648%0.481SS*.Hα-helixtrans-59.1-42.5176.5-69.9162.9000110.4G9 S10 Y16 S17G9-I13 WeakPolarHBondContact O-CB 3.24Å; G9-I13 WeakPolarHBondContact O-CD1 3.16Å; G9-I13 WeakPolarHBondContact O-CG1 3.43Å; G9-I13 PolarHBondContact O-N 3.39Å; S10-I13 PolarHBondContact O-N 3.24Å; I13-Y16 PolarHBondContact O-N 2.86Å; I13-S17 VanDerWaalsContact O-CB 3.24Å; I13-S17 WeakPolarHBondContact O-CB 3.36Å; I13-S17 PolarHBondContact O-N 3.34Å; I13-S17 PolarHBondContact O-OG 3.5Å
14L80.1Confident76.5Confident89 Ų8994.4 Ų94.447%0.46649%0.486SS..Hα-helixtrans-67.1-45.7179.2-158.1151.4000111.1S10 M11 L12 S17 M18S10-L14 WeakPolarHBondContact O-CB 3.4Å; S10-L14 PolarHBondContact O-N 3.13Å; M11-L14 PolarHBondContact O-N 3.34Å; L12-L14 VanDerWaalsContact C-N 3.29Å; L12-L14 PolarHBondContact O-N 2.72Å; L14-S17 WeakPolarHBondContact CA-OG 3.24Å; L14-S17 PolarHBondContact O-N 2.77Å; L14-S17 PolarHBondContact O-OG 3.47Å; L14-M18 HydrophobicContact CD2-SD 4.26Å; L14-M18 PolarHBondContact O-N 3.36Å
15V78.5Confident76.5Confident78 Ų7889 Ų8947%0.47347%0.468SS..Hα-helixtrans-61.4-45.3174.3169.70000111.2M11 L12 S17 M18 L19M11-V15 WeakPolarHBondContact O-CB 3.46Å; M11-V15 WeakPolarHBondContact O-CG2 3.4Å; M11-V15 PolarHBondContact O-N 3.42Å; L12-V15 PolarHBondContact O-N 2.83Å; V15-S17 VanDerWaalsContact C-N 3.34Å; V15-S17 PolarHBondContact O-N 3.23Å; V15-M18 PolarHBondContact O-N 2.75Å; V15-L19 HydrophobicContact CG1-CD1 4.26Å; V15-L19 WeakPolarHBondContact O-CB 3.24Å; V15-L19 PolarHBondContact O-N 2.79Å
16Y79.8Confident76.2Confident154 Ų15486.8 Ų86.860%0.60446%0.458SS*.Hα-helixtrans-64.8-37.3175.6-84.4-65.2000111.6L12 I13 L19 A20L12-Y16 HydrophobicContact CB-CD2 4.25Å; L12-Y16 HydrophobicContact CB-CE2 4.38Å; L12-Y16 HydrophobicContact CD2-CE2 4.13Å; L12-Y16 VanDerWaalsContact O-CB 3.27Å; L12-Y16 WeakPolarHBondContact O-CB 3.21Å; L12-Y16 WeakPolarHBondContact O-CD2 3.25Å; L12-Y16 PolarHBondContact O-N 2.79Å; I13-Y16 PolarHBondContact O-N 2.86Å; Y16-L19 PolarHBondContact O-N 2.74Å; Y16-A20 WeakPolarHBondContact O-CB 3.15Å; Y16-A20 PolarHBondContact O-N 2.95Å
17S78.6Confident75.8Confident65 Ų6588.2 Ų88.246%0.45547%0.468SS..Hα-helixtrans-68.2-37.8175.576.20000111.8I13 L14 V15 A21I13-S17 VanDerWaalsContact O-CB 3.24Å; I13-S17 WeakPolarHBondContact O-CB 3.36Å; I13-S17 PolarHBondContact O-N 3.34Å; I13-S17 PolarHBondContact O-OG 3.5Å; L14-S17 WeakPolarHBondContact CA-OG 3.24Å; L14-S17 PolarHBondContact O-N 2.77Å; L14-S17 PolarHBondContact O-OG 3.47Å; V15-S17 VanDerWaalsContact C-N 3.34Å; V15-S17 PolarHBondContact O-N 3.23Å; S17-A21 WeakPolarHBondContact O-CB 3.4Å; S17-A21 PolarHBondContact O-N 3.44Å
18M79.6Confident75.3Confident98 Ų9889.4 Ų89.448%0.48348%0.475SS..Hα-helixtrans-66.3-43.5171.7-93-179.183.600111.5L14 V15 A21 F22L14-M18 HydrophobicContact CD2-SD 4.26Å; L14-M18 PolarHBondContact O-N 3.36Å; V15-M18 PolarHBondContact O-N 2.75Å; M18-A21 PolarHBondContact O-N 2.99Å; M18-F22 VanDerWaalsContact O-CB 3.25Å; M18-F22 WeakPolarHBondContact O-CB 3.47Å; M18-F22 PolarHBondContact O-N 3.41Å
19L77.7Confident74.1Confident87 Ų8788.3 Ų88.346%0.45547%0.466SS..Hα-helixtrans-63.9-42.8175.4-103.6160.4000111.6V15 Y16 F22 L23V15-L19 HydrophobicContact CG1-CD1 4.26Å; V15-L19 WeakPolarHBondContact O-CB 3.24Å; V15-L19 PolarHBondContact O-N 2.79Å; Y16-L19 PolarHBondContact O-N 2.74Å; L19-F22 PolarHBondContact O-N 3.05Å; L19-L23 WeakPolarHBondContact O-CB 3.34Å; L19-L23 VanDerWaalsContact O-CG 3.26Å; L19-L23 WeakPolarHBondContact O-CG 3.08Å; L19-L23 PolarHBondContact O-N 3.28Å
20A76Confident73Confident56 Ų5691.7 Ų91.746%0.46348%0.481SS..Hα-helixtrans-66.8-41.1176.800000111.2Y16 L23 F24Y16-A20 WeakPolarHBondContact O-CB 3.15Å; Y16-A20 PolarHBondContact O-N 2.95Å; A20-L23 PolarHBondContact O-N 3.22Å; A20-F24 WeakPolarHBondContact O-CB 3.27Å; A20-F24 PolarHBondContact O-N 3.18Å
21A75.3Confident71.7Confident48 Ų4895.5 Ų95.540%0.39750%0.497SS..Hα-helixtrans-63.6-42.8172.800000111.2S17 M18 F24 I25S17-A21 WeakPolarHBondContact O-CB 3.4Å; S17-A21 PolarHBondContact O-N 3.44Å; M18-A21 PolarHBondContact O-N 2.99Å; A21-F24 PolarHBondContact O-N 3.29Å; A21-I25 WeakPolarHBondContact O-CB 3.34Å; A21-I25 WeakPolarHBondContact O-CD1 3.42Å; A21-I25 WeakPolarHBondContact O-CG1 3.48Å; A21-I25 PolarHBondContact O-N 2.78Å
22F75.4Confident70.4Confident114 Ų11494.6 Ų94.650%0.549%0.494SS..Hα-helixtrans-62.5-46.2175.6-179.1-93.6000111.7M18 L19 F24 I25 D26M18-F22 VanDerWaalsContact O-CB 3.25Å; M18-F22 WeakPolarHBondContact O-CB 3.47Å; M18-F22 PolarHBondContact O-N 3.41Å; L19-F22 PolarHBondContact O-N 3.05Å; F22-F24 VanDerWaalsContact C-N 3.34Å; F22-I25 PolarHBondContact O-N 3.14Å; F22-D26 VanDerWaalsContact O-CB 3.24Å; F22-D26 WeakPolarHBondContact O-CB 3.26Å; F22-D26 PolarHBondContact O-N 3.45Å
23L71.1Confident69Low92 Ų9298.7 Ų98.748%0.48251%0.514SS..Hα-helixtrans-69.7-30.7176.5-71.8174.4000112.7L19 A20 K27L19-L23 WeakPolarHBondContact O-CB 3.34Å; L19-L23 VanDerWaalsContact O-CG 3.26Å; L19-L23 WeakPolarHBondContact O-CG 3.08Å; L19-L23 PolarHBondContact O-N 3.28Å; A20-L23 PolarHBondContact O-N 3.22Å; L23-K27 WeakPolarHBondContact O-CB 3.49Å; L23-K27 WeakPolarHBondContact O-CG 3.21Å; L23-K27 PolarHBondContact O-N 2.85Å
24F71.7Confident67.4Low145 Ų145101 Ų10164%0.63652%0.516SS*.Hα-helixtrans-70.1-45.6173.9-178.8-98.2000110.2A20 A21 F22 K27 V28A20-F24 WeakPolarHBondContact O-CB 3.27Å; A20-F24 PolarHBondContact O-N 3.18Å; A21-F24 PolarHBondContact O-N 3.29Å; F22-F24 VanDerWaalsContact C-N 3.34Å; F24-K27 PolarHBondContact O-N 3.49Å; F24-V28 HydrophobicContact CD1-CG2 4.05Å; F24-V28 HydrophobicContact CD2-CG2 4.33Å; F24-V28 HydrophobicContact CE1-CG2 3.72Å; F24-V28 HydrophobicContact CE2-CG2 4.02Å; F24-V28 HydrophobicContact CG-CG2 4.35Å; F24-V28 HydrophobicContact CZ-CG2 3.7Å; F24-V28 VanDerWaalsContact O-CB 3.24Å; F24-V28 WeakPolarHBondContact O-CB 3.37Å; F24-V28 WeakPolarHBondContact O-CG2 3.33Å; F24-V28 PolarHBondContact O-N 3.05Å
25I65.4Low66Low57 Ų57100.4 Ų100.429%0.29251%0.51SS..Hα-helixtrans-59-50.1171.2-68.9164.2000109A21 F22 K27 V28 F29 L52A21-I25 WeakPolarHBondContact O-CB 3.34Å; A21-I25 WeakPolarHBondContact O-CD1 3.42Å; A21-I25 WeakPolarHBondContact O-CG1 3.48Å; A21-I25 PolarHBondContact O-N 2.78Å; F22-I25 PolarHBondContact O-N 3.14Å; I25-K27 PolarHBondContact O-N 2.74Å; I25-V28 PolarHBondContact O-N 2.86Å; I25-F29 HydrophobicContact CG2-CD2 3.77Å; I25-F29 HydrophobicContact CG2-CE2 4.07Å; I25-F29 VanDerWaalsContact O-CB 3.24Å; I25-F29 WeakPolarHBondContact O-CB 3.48Å; I25-F29 WeakPolarHBondContact O-CD2 3.34Å; I25-F29 PolarHBondContact O-N 3.31Å; I25-L52 HydrophobicContact CD1-CD2 4.21Å
26D66.5Low64.7Low52 Ų52103.7 Ų103.728%0.27852%0.52SS..Hα-helixtrans-56.2-49.2176.7-173.565.5000111.1F22 F29 V30F22-D26 VanDerWaalsContact O-CB 3.24Å; F22-D26 WeakPolarHBondContact O-CB 3.26Å; F22-D26 PolarHBondContact O-N 3.45Å; D26-F29 CarbonylContact O-C 3.54Å; D26-F29 PolarHBondContact O-N 3.39Å; D26-V30 WeakPolarHBondContact O-CA 3.44Å; D26-V30 WeakPolarHBondContact O-CB 3.02Å; D26-V30 WeakPolarHBondContact O-CG2 3.4Å; D26-V30 PolarHBondContact O-N 3.36Å; D26-V30 WeakPolarHBondContact OD1-CG2 3.2Å
27K63.2Low63.5Low161 Ų16197.6 Ų97.670%0.750%0.504SS*.Hα-helixtrans-68.1-39.5178.6-82.8-159.6175-173.70114.3L23 F24 I25 F29 N31L23-K27 WeakPolarHBondContact O-CB 3.49Å; L23-K27 WeakPolarHBondContact O-CG 3.21Å; L23-K27 PolarHBondContact O-N 2.85Å; F24-K27 PolarHBondContact O-N 3.49Å; I25-K27 PolarHBondContact O-N 2.74Å; K27-F29 PolarHBondContact O-N 2.8Å; K27-N31 PolarHBondContact O-N 3.32Å
28V63.4Low62.3Low72 Ų7295.5 Ų95.544%0.43649%0.487SS..Hα-helixtrans-63.2-37.7175.8168.20000109.7F24 I25F24-V28 HydrophobicContact CD1-CG2 4.05Å; F24-V28 HydrophobicContact CD2-CG2 4.33Å; F24-V28 HydrophobicContact CE1-CG2 3.72Å; F24-V28 HydrophobicContact CE2-CG2 4.02Å; F24-V28 HydrophobicContact CG-CG2 4.35Å; F24-V28 HydrophobicContact CZ-CG2 3.7Å; F24-V28 VanDerWaalsContact O-CB 3.24Å; F24-V28 WeakPolarHBondContact O-CB 3.37Å; F24-V28 WeakPolarHBondContact O-CG2 3.33Å; F24-V28 PolarHBondContact O-N 3.05Å; I25-V28 PolarHBondContact O-N 2.86Å
29F52.8Low61.2Low73 Ų7396.9 Ų96.932%0.3249%0.491SS..Hα-helixtrans-90.1-26.9-178.1-81.2-96.1000114.5I25 D26 K27 N31 I32 F35 M38I25-F29 HydrophobicContact CG2-CD2 3.77Å; I25-F29 HydrophobicContact CG2-CE2 4.07Å; I25-F29 VanDerWaalsContact O-CB 3.24Å; I25-F29 WeakPolarHBondContact O-CB 3.48Å; I25-F29 WeakPolarHBondContact O-CD2 3.34Å; I25-F29 PolarHBondContact O-N 3.31Å; D26-F29 CarbonylContact O-C 3.54Å; D26-F29 PolarHBondContact O-N 3.39Å; K27-F29 PolarHBondContact O-N 2.8Å; F29-N31 VanDerWaalsContact C-N 3.29Å; F29-I32 PolarHBondContact O-N 2.82Å; F29-F35 HydrophobicContact CB-CB 4.33Å; F29-F35 HydrophobicContact CB-CD2 3.61Å; F29-F35 HydrophobicContact CB-CE2 4.38Å; F29-F35 HydrophobicContact CB-CG 4.39Å; F29-F35 HydrophobicContact CD1-CD2 4.35Å; F29-F35 HydrophobicContact CG-CD2 4.24Å; F29-M38 HydrophobicContact CD1-SD 4.26Å; F29-M38 HydrophobicContact CE1-CB 4.49Å; F29-M38 HydrophobicContact CE1-CG 4.46Å; F29-M38 HydrophobicContact CE1-SD 3.91Å; F29-M38 HydrophobicContact CZ-SD 4.09Å
30V55.9Low60.1Low96 Ų96101.2 Ų101.258%0.58250%0.502SS*.Hα-helixtrans-73.3-25.7175.5167.20000110.4D26 I32D26-V30 WeakPolarHBondContact O-CA 3.44Å; D26-V30 WeakPolarHBondContact O-CB 3.02Å; D26-V30 WeakPolarHBondContact O-CG2 3.4Å; D26-V30 PolarHBondContact O-N 3.36Å; D26-V30 WeakPolarHBondContact OD1-CG2 3.2Å; V30-I32 PolarHBondContact O-N 3.31Å
31N50.7Low59.8Low141 Ų141102 Ų10275%0.75450%0.501SS*.THydrogen-bonded Turntrans-74.4-4.2175.6-146.6-77.4000113.9K27 F29K27-N31 PolarHBondContact O-N 3.32Å; F29-N31 VanDerWaalsContact C-N 3.29Å
32I52Low59.5Low103 Ų103105.8 Ų105.853%0.52851%0.511SS..SBendtrans-141.4131.9176.4-47.1177.2000108.3F29 V30 Y34F29-I32 PolarHBondContact O-N 2.82Å; V30-I32 PolarHBondContact O-N 3.31Å; I32-Y34 HydrophobicContact CB-CD2 4.46Å; I32-Y34 HydrophobicContact CG2-CD2 3.47Å; I32-Y34 VanDerWaalsContact CG2-CD2 3.47Å; I32-Y34 HydrophobicContact CG2-CE2 3.95Å; I32-Y34 PolarHBondContact O-N 2.8Å
33I52.1Low59.3Low169 Ų169103.7 Ų103.787%0.86750%0.504SS*.THydrogen-bonded Turntrans-49.915178.3-74.1156.2000116.3
34Y49.2Very low59.5Low172 Ų172109.1 Ų109.168%0.67552%0.524SS*.THydrogen-bonded Turntrans-100.1-1.4177.2-72.1-95000115.7I32 Q36 G37 M38I32-Y34 HydrophobicContact CB-CD2 4.46Å; I32-Y34 HydrophobicContact CG2-CD2 3.47Å; I32-Y34 VanDerWaalsContact CG2-CD2 3.47Å; I32-Y34 HydrophobicContact CG2-CE2 3.95Å; I32-Y34 PolarHBondContact O-N 2.8Å; Y34-Q36 VanDerWaalsContact C-N 3.28Å; Y34-Q36 PolarHBondContact O-N 2.8Å; Y34-G37 CarbonylContact O-C 3.51Å; Y34-G37 VanDerWaalsContact O-CA 3.24Å; Y34-G37 WeakPolarHBondContact O-CA 3.46Å; Y34-G37 PolarHBondContact O-N 3.3Å; Y34-M38 PolarHBondContact O-N 2.77Å; Y34-M38 VanDerWaalsContact O-N 3.13Å
35F52.1Low59.8Low75 Ų75104.5 Ų104.533%0.32952%0.518SS..Hα-helixtrans-60.8-35.5176-170.8-110.9000112.9F29 G37 M38 F39F29-F35 HydrophobicContact CB-CB 4.33Å; F29-F35 HydrophobicContact CB-CD2 3.61Å; F29-F35 HydrophobicContact CB-CE2 4.38Å; F29-F35 HydrophobicContact CB-CG 4.39Å; F29-F35 HydrophobicContact CD1-CD2 4.35Å; F29-F35 HydrophobicContact CG-CD2 4.24Å; F35-G37 VanDerWaalsContact C-N 3.27Å; F35-G37 PolarHBondContact O-N 3.26Å; F35-M38 PolarHBondContact O-N 2.75Å; F35-F39 HydrophobicContact CD1-CE2 4.4Å; F35-F39 AromaticContact CE1-CE2 3.98Å; F35-F39 HydrophobicContact CE1-CE2 3.98Å; F35-F39 HydrophobicContact CZ-CE2 4.36Å
36Q50.7Low60.3Low148 Ų148105.6 Ų105.669%0.69252%0.523SS*.Hα-helixtrans-60.4-39.2168.1-92.3-174.4-40.700111.5Y34 M38 F39 Y40Y34-Q36 VanDerWaalsContact C-N 3.28Å; Y34-Q36 PolarHBondContact O-N 2.8Å; Q36-M38 VanDerWaalsContact C-N 3.26Å; Q36-M38 PolarHBondContact O-N 3.44Å; Q36-F39 PolarHBondContact O-N 3.36Å; Q36-Y40 WeakPolarHBondContact O-CD2 3.23Å; Q36-Y40 WeakPolarHBondContact O-CE2 3.4Å
37G54.7Low60.9Low25 Ų25105 Ų10526%0.25852%0.522SS..Hα-helixtrans-59.4-31.8176.400000113.7Y34 F35 F39 Y40 T41Y34-G37 CarbonylContact O-C 3.51Å; Y34-G37 VanDerWaalsContact O-CA 3.24Å; Y34-G37 WeakPolarHBondContact O-CA 3.46Å; Y34-G37 PolarHBondContact O-N 3.3Å; F35-G37 VanDerWaalsContact C-N 3.27Å; F35-G37 PolarHBondContact O-N 3.26Å; G37-F39 VanDerWaalsContact C-N 3.3Å; G37-F39 PolarHBondContact O-N 2.83Å; G37-Y40 CarbonylContact O-C 3.45Å; G37-Y40 WeakPolarHBondContact O-CA 3.21Å; G37-Y40 PolarHBondContact O-N 3.36Å; G37-T41 WeakPolarHBondContact O-CG2 3.32Å; G37-T41 PolarHBondContact O-N 3.4Å; G37-T41 PolarHBondContact O-OG1 3.02Å
38M52.8Low61.5Low21 Ų2199 Ų9910%0.10350%0.499CS..Hα-helixtrans-65.4-31.1-179.6-165.7-178.217100113.2F29 Y34 F35 Q36 Y40 T41 V48 F49F29-M38 HydrophobicContact CD1-SD 4.26Å; F29-M38 HydrophobicContact CE1-CB 4.49Å; F29-M38 HydrophobicContact CE1-CG 4.46Å; F29-M38 HydrophobicContact CE1-SD 3.91Å; F29-M38 HydrophobicContact CZ-SD 4.09Å; Y34-M38 PolarHBondContact O-N 2.77Å; Y34-M38 VanDerWaalsContact O-N 3.13Å; F35-M38 PolarHBondContact O-N 2.75Å; Q36-M38 VanDerWaalsContact C-N 3.26Å; Q36-M38 PolarHBondContact O-N 3.44Å; M38-Y40 VanDerWaalsContact C-N 3.27Å; M38-Y40 PolarHBondContact O-N 3.16Å; M38-T41 WeakPolarHBondContact CA-OG1 3.42Å; M38-T41 PolarHBondContact O-OG1 3.48Å; M38-T41 VanDerWaalsContact O-OG1 3.07Å; M38-V48 HydrophobicContact CE-CB 4.3Å; M38-V48 HydrophobicContact CE-CG1 3.81Å; M38-V48 HydrophobicContact CG-CB 4.34Å; M38-F49 HydrophobicContact CE-CB 4.24Å
39F55.6Low62Low127 Ų12799.9 Ų99.956%0.55750%0.497SS*.Hα-helixtrans-69.6-24.8171.4-71.5-82.7000112.6F35 Q36 G37F35-F39 HydrophobicContact CD1-CE2 4.4Å; F35-F39 AromaticContact CE1-CE2 3.98Å; F35-F39 HydrophobicContact CE1-CE2 3.98Å; F35-F39 HydrophobicContact CZ-CE2 4.36Å; Q36-F39 PolarHBondContact O-N 3.36Å; G37-F39 VanDerWaalsContact C-N 3.3Å; G37-F39 PolarHBondContact O-N 2.83Å
40Y56.5Low63.3Low179 Ų179101.1 Ų101.170%0.70251%0.507SS*.Hα-helixtrans-97.8-23179.7-60.8-71.2000113.5Q36 G37 M38 Q42Q36-Y40 WeakPolarHBondContact O-CD2 3.23Å; Q36-Y40 WeakPolarHBondContact O-CE2 3.4Å; G37-Y40 CarbonylContact O-C 3.45Å; G37-Y40 WeakPolarHBondContact O-CA 3.21Å; G37-Y40 PolarHBondContact O-N 3.36Å; M38-Y40 VanDerWaalsContact C-N 3.27Å; M38-Y40 PolarHBondContact O-N 3.16Å; Y40-Q42 PolarHBondContact O-N 3.29Å
41T68.5Low64.5Low71 Ų71100.1 Ų100.144%0.43650%0.495SS..  trans-68.9117.617450.70000108.6G37 M38 V48G37-T41 WeakPolarHBondContact O-CG2 3.32Å; G37-T41 PolarHBondContact O-N 3.4Å; G37-T41 PolarHBondContact O-OG1 3.02Å; M38-T41 WeakPolarHBondContact CA-OG1 3.42Å; M38-T41 PolarHBondContact O-OG1 3.48Å; M38-T41 VanDerWaalsContact O-OG1 3.07Å; T41-V48 WeakPolarHBondContact O-CG2 3.43Å; T41-V48 PolarHBondContact O-N 2.92Å; T41-V48 WeakPolarHBondContact OG1-CG2 3.35Å
42Q70.1Confident65.9Low129 Ų12996.7 Ų96.760%0.60348%0.476SS*.EExtended strand (participates in β ladder)trans-109.9128.4178-69.1178-1.200109.1Y40 I46Y40-Q42 PolarHBondContact O-N 3.29Å; Q42-I46 WeakPolarHBondContact CA-O 3.47Å
43I71.3Confident67.4Low69 Ų6994.4 Ų94.435%0.35447%0.465SS..EExtended strand (participates in β ladder)trans-102118.5166.8-67.9173.1000105.8G45 I46 V48I43-G45 PolarHBondContact O-N 3.5Å; I43-G45 VanDerWaalsContact O-N 3.16Å; I43-I46 PolarHBondContact N-O 2.88Å; I43-I46 PolarHBondContact O-N 2.96Å; I43-V48 HydrophobicContact CD1-CG2 3.76Å; I43-V48 HydrophobicContact CG1-CG2 3.87Å
44F75.3Confident69Low206 Ų20691.8 Ų91.890%0.90445%0.452SS*.THydrogen-bonded Turntrans5036.5-173.2-61.1-76.8000113.9I46F44-I46 VanDerWaalsContact C-N 3.32Å; F44-I46 PolarHBondContact O-N 3.27Å
45G76.7Confident70.8Confident49 Ų4987.3 Ų87.351%0.50544%0.439SS..THydrogen-bonded Turntrans83.3-4.6-179.900000115.6I43I43-G45 PolarHBondContact O-N 3.5Å; I43-G45 VanDerWaalsContact O-N 3.16Å
46I76.9Confident72.5Confident79 Ų7986.7 Ų86.741%0.40544%0.438SS..EExtended strand (participates in β ladder)trans-102.3130.8-180-56.2175.1000109.4Q42 I43 F44 V48 L50Q42-I46 WeakPolarHBondContact CA-O 3.47Å; I43-I46 PolarHBondContact N-O 2.88Å; I43-I46 PolarHBondContact O-N 2.96Å; F44-I46 VanDerWaalsContact C-N 3.32Å; F44-I46 PolarHBondContact O-N 3.27Å; I46-V48 PolarHBondContact O-N 3.3Å; I46-L50 HydrophobicContact CG2-CB 3.82Å
47P78.4Confident74.3Confident40 Ų4084.4 Ų84.426%0.2643%0.43SS..EExtended strand (participates in β ladder)trans-51.7131.5172-25.832.8000111.5F49 L50 F51P47-F49 PolarHBondContact O-N 3.25Å; P47-L50 HydrophobicContact CG-CD1 4.31Å; P47-L50 PolarHBondContact O-N 3.29Å; P47-F51 PolarHBondContact O-N 3.44Å
48V76.4Confident76.1Confident35 Ų3588 Ų8821%0.21244%0.442CS..Hα-helixtrans-50.9-38.3-174.21740000112.8M38 T41 I43 I46 L50 F51 L52M38-V48 HydrophobicContact CE-CB 4.3Å; M38-V48 HydrophobicContact CE-CG1 3.81Å; M38-V48 HydrophobicContact CG-CB 4.34Å; T41-V48 WeakPolarHBondContact O-CG2 3.43Å; T41-V48 PolarHBondContact O-N 2.92Å; T41-V48 WeakPolarHBondContact OG1-CG2 3.35Å; I43-V48 HydrophobicContact CD1-CG2 3.76Å; I43-V48 HydrophobicContact CG1-CG2 3.87Å; I46-V48 PolarHBondContact O-N 3.3Å; V48-L50 PolarHBondContact O-N 3.46Å; V48-F51 PolarHBondContact O-N 3.45Å; V48-L52 PolarHBondContact O-N 3.31Å
49F73.7Confident77.9Confident91 Ų9192.2 Ų92.240%0.39947%0.465SS..Hα-helixtrans-60-42.7177.9176-98.6000113.1M38 P47 L52 N53M38-F49 HydrophobicContact CE-CB 4.24Å; P47-F49 PolarHBondContact O-N 3.25Å; F49-L52 PolarHBondContact O-N 3.37Å; F49-N53 VanDerWaalsContact CE1-ND2 3.27Å; F49-N53 WeakPolarHBondContact CE1-ND2 3.3Å; F49-N53 WeakPolarHBondContact CE2-ND2 3.48Å; F49-N53 WeakPolarHBondContact CZ-ND2 3.41Å; F49-N53 PolarHBondContact O-N 3.07Å; F49-N53 VanDerWaalsContact O-N 3.14Å; F49-N53 PolarHBondContact O-ND2 3.44Å
50L79.7Confident79.6Confident99 Ų9989.4 Ų89.452%0.51846%0.46SS..Hα-helixtrans-67.1-39.2178-71.3178.4000111.4I46 P47 V48 N53 L54I46-L50 HydrophobicContact CG2-CB 3.82Å; P47-L50 HydrophobicContact CG-CD1 4.31Å; P47-L50 PolarHBondContact O-N 3.29Å; V48-L50 PolarHBondContact O-N 3.46Å; L50-N53 PolarHBondContact O-N 2.97Å; L50-L54 PolarHBondContact O-N 3.04Å
51F80.3Confident81.2Confident75 Ų7585.6 Ų85.633%0.32945%0.451SS..Hα-helixtrans-62.5-43.3176.7-174.8-102.5000112.1P47 V48 L54 I55P47-F51 PolarHBondContact O-N 3.44Å; V48-F51 PolarHBondContact O-N 3.45Å; F51-L54 WeakPolarHBondContact O-CB 3.47Å; F51-L54 PolarHBondContact O-N 2.99Å; F51-I55 HydrophobicContact CD1-CD1 3.78Å; F51-I55 HydrophobicContact CE1-CD1 3.37Å; F51-I55 HydrophobicContact CE1-CG1 4.32Å; F51-I55 HydrophobicContact CZ-CD1 3.91Å; F51-I55 WeakPolarHBondContact O-CG1 3.26Å; F51-I55 PolarHBondContact O-N 3.01Å
52L81.2Confident82.3Confident69 Ų6986.7 Ų86.736%0.36145%0.453SS..Hα-helixtrans-61-45.8175.6-171.582.5000111.9I25 V48 F49 L54 I55 I56I25-L52 HydrophobicContact CD1-CD2 4.21Å; V48-L52 PolarHBondContact O-N 3.31Å; F49-L52 PolarHBondContact O-N 3.37Å; L52-L54 VanDerWaalsContact C-N 3.32Å; L52-L54 PolarHBondContact O-N 2.91Å; L52-I55 PolarHBondContact O-N 3.39Å; L52-I56 HydrophobicContact CG-CD1 4.27Å; L52-I56 WeakPolarHBondContact O-CG1 3.16Å; L52-I56 PolarHBondContact O-N 2.93Å
53N83.9Confident83.2Confident55 Ų5584.2 Ų84.229%0.29445%0.447SS..Hα-helixtrans-61.8-40.5177.1-79.8-82.3000111.7F49 L50 I55 I56 I57F49-N53 VanDerWaalsContact CE1-ND2 3.27Å; F49-N53 WeakPolarHBondContact CE1-ND2 3.3Å; F49-N53 WeakPolarHBondContact CE2-ND2 3.48Å; F49-N53 WeakPolarHBondContact CZ-ND2 3.41Å; F49-N53 PolarHBondContact O-N 3.07Å; F49-N53 VanDerWaalsContact O-N 3.14Å; F49-N53 PolarHBondContact O-ND2 3.44Å; L50-N53 PolarHBondContact O-N 2.97Å; N53-I55 VanDerWaalsContact C-N 3.33Å; N53-I55 PolarHBondContact O-N 3.45Å; N53-I56 PolarHBondContact O-N 2.9Å; N53-I57 VanDerWaalsContact O-CG1 3.26Å; N53-I57 WeakPolarHBondContact O-CG1 3.36Å; N53-I57 PolarHBondContact O-N 3.47Å
54L85.9Confident84Confident114 Ų11482.7 Ų82.760%0.59745%0.448SS*.Hα-helixtrans-60.5-42.1176.2-165.7105.6000111.7L50 F51 L52 I57 L58L50-L54 PolarHBondContact O-N 3.04Å; F51-L54 WeakPolarHBondContact O-CB 3.47Å; F51-L54 PolarHBondContact O-N 2.99Å; L52-L54 VanDerWaalsContact C-N 3.32Å; L52-L54 PolarHBondContact O-N 2.91Å; L54-I57 PolarHBondContact O-N 2.86Å; L54-L58 WeakPolarHBondContact O-CB 3.27Å; L54-L58 PolarHBondContact O-N 3.3Å
55I86.7Confident84.8Confident78 Ų7876.2 Ų76.240%0.443%0.428SS..Hα-helixtrans-62.3-45.1175.5-70.3170.1000111.1F51 L52 N53 L58 L59F51-I55 HydrophobicContact CD1-CD1 3.78Å; F51-I55 HydrophobicContact CE1-CD1 3.37Å; F51-I55 HydrophobicContact CE1-CG1 4.32Å; F51-I55 HydrophobicContact CZ-CD1 3.91Å; F51-I55 WeakPolarHBondContact O-CG1 3.26Å; F51-I55 PolarHBondContact O-N 3.01Å; L52-I55 PolarHBondContact O-N 3.39Å; N53-I55 VanDerWaalsContact C-N 3.33Å; N53-I55 PolarHBondContact O-N 3.45Å; I55-L58 PolarHBondContact O-N 2.91Å; I55-L59 WeakPolarHBondContact O-CB 3Å; I55-L59 PolarHBondContact O-N 3.41Å
56I87.6Confident85.3Confident61 Ų6177.6 Ų77.631%0.31343%0.427SS..Hα-helixtrans-62.6-45.7179.1-66.5166.8000110.3L52 N53 L58 L59 C60L52-I56 HydrophobicContact CG-CD1 4.27Å; L52-I56 WeakPolarHBondContact O-CG1 3.16Å; L52-I56 PolarHBondContact O-N 2.93Å; N53-I56 PolarHBondContact O-N 2.9Å; I56-L58 VanDerWaalsContact C-N 3.33Å; I56-L58 PolarHBondContact O-N 3.29Å; I56-L59 PolarHBondContact O-N 3.13Å; I56-C60 WeakPolarHBondContact O-CB 3.44Å; I56-C60 PolarHBondContact O-N 3.27Å; I56-C60 PolarHBondContact O-SG 3.39Å
57I89Confident85.6Confident101 Ų10177.7 Ų77.752%0.51843%0.428SS..Hα-helixtrans-59.6-45.8176.5-68.1165.2000110.4N53 L54 L59 C60 I61N53-I57 VanDerWaalsContact O-CG1 3.26Å; N53-I57 WeakPolarHBondContact O-CG1 3.36Å; N53-I57 PolarHBondContact O-N 3.47Å; L54-I57 PolarHBondContact O-N 2.86Å; I57-L59 PolarHBondContact O-N 3.25Å; I57-C60 PolarHBondContact O-N 3.21Å; I57-I61 HydrophobicContact CG2-CD1 3.89Å; I57-I61 VanDerWaalsContact O-CG1 3.31Å; I57-I61 WeakPolarHBondContact O-CG1 3.43Å; I57-I61 PolarHBondContact O-N 3.12Å
58L90.7Very high86Confident99 Ų9978 Ų7852%0.51843%0.434SS..Hα-helixtrans-61.1-44.3178-176.367.1000111.7L54 I55 I56 C60 I61 I62L54-L58 WeakPolarHBondContact O-CB 3.27Å; L54-L58 PolarHBondContact O-N 3.3Å; I55-L58 PolarHBondContact O-N 2.91Å; I56-L58 VanDerWaalsContact C-N 3.33Å; I56-L58 PolarHBondContact O-N 3.29Å; L58-C60 PolarHBondContact O-N 2.92Å; L58-I61 PolarHBondContact O-N 3.25Å; L58-I62 HydrophobicContact CD1-CD1 4.41Å; L58-I62 HydrophobicContact CG-CD1 4.03Å; L58-I62 VanDerWaalsContact O-CG1 3.32Å; L58-I62 WeakPolarHBondContact O-CG1 3.24Å; L58-I62 PolarHBondContact O-N 2.76Å
59L90.9Very high86.5Confident110 Ų11084.1 Ų84.158%0.57645%0.454SS*.Hα-helixtrans-61.7-44176.9-165101.5000111.2I55 I56 I57 I61 I62 V63I55-L59 WeakPolarHBondContact O-CB 3Å; I55-L59 PolarHBondContact O-N 3.41Å; I56-L59 PolarHBondContact O-N 3.13Å; I57-L59 PolarHBondContact O-N 3.25Å; L59-I61 VanDerWaalsContact C-N 3.35Å; L59-I61 PolarHBondContact O-N 2.85Å; L59-I62 PolarHBondContact O-N 2.9Å; L59-V63 HydrophobicContact CG-CG2 4.43Å; L59-V63 WeakPolarHBondContact O-CB 3.42Å; L59-V63 VanDerWaalsContact O-CG2 3.3Å; L59-V63 WeakPolarHBondContact O-CG2 3.45Å; L59-V63 PolarHBondContact O-N 2.64Å
60C91Very high86.9Confident69 Ų6984.3 Ų84.347%0.46646%0.455SS..Hα-helixtrans-60.6-41.7175.6-73.30000112.2I56 I57 L58 G64I56-C60 WeakPolarHBondContact O-CB 3.44Å; I56-C60 PolarHBondContact O-N 3.27Å; I56-C60 PolarHBondContact O-SG 3.39Å; I57-C60 PolarHBondContact O-N 3.21Å; L58-C60 PolarHBondContact O-N 2.92Å; C60-G64 PolarHBondContact O-N 3.28Å
61I91.9Very high86.9Confident98 Ų9883.4 Ų83.450%0.50345%0.45SS..Hα-helixtrans-64.5-45.9176.5-68.2166.6000110.6I57 L58 L59 S65I57-I61 HydrophobicContact CG2-CD1 3.89Å; I57-I61 VanDerWaalsContact O-CG1 3.31Å; I57-I61 WeakPolarHBondContact O-CG1 3.43Å; I57-I61 PolarHBondContact O-N 3.12Å; L58-I61 PolarHBondContact O-N 3.25Å; L59-I61 VanDerWaalsContact C-N 3.35Å; L59-I61 PolarHBondContact O-N 2.85Å; I61-S65 VanDerWaalsContact O-CB 3.29Å; I61-S65 WeakPolarHBondContact O-CB 3.39Å; I61-S65 PolarHBondContact O-N 2.66Å; I61-S65 PolarHBondContact O-OG 3.3Å
62I90.8Very high87.1Confident94 Ų9484.5 Ų84.548%0.48246%0.459SS..Hα-helixtrans-62.6-52.4179.6-68.2166.9000110.6L58 L59 G64 S65 V66L58-I62 HydrophobicContact CD1-CD1 4.41Å; L58-I62 HydrophobicContact CG-CD1 4.03Å; L58-I62 VanDerWaalsContact O-CG1 3.32Å; L58-I62 WeakPolarHBondContact O-CG1 3.24Å; L58-I62 PolarHBondContact O-N 2.76Å; L59-I62 PolarHBondContact O-N 2.9Å; I62-G64 VanDerWaalsContact C-N 3.34Å; I62-G64 PolarHBondContact O-N 2.99Å; I62-S65 WeakPolarHBondContact O-CB 3.44Å; I62-S65 PolarHBondContact O-N 3.21Å; I62-V66 WeakPolarHBondContact O-CG2 3.23Å; I62-V66 PolarHBondContact O-N 3.04Å
63V88.4Confident87.1Confident77 Ų7786.7 Ų86.747%0.46747%0.467SS..Hα-helixtrans-61.9-43.3-179.51730000110.9L59 S65 V66 L67L59-V63 HydrophobicContact CG-CG2 4.43Å; L59-V63 WeakPolarHBondContact O-CB 3.42Å; L59-V63 VanDerWaalsContact O-CG2 3.3Å; L59-V63 WeakPolarHBondContact O-CG2 3.45Å; L59-V63 PolarHBondContact O-N 2.64Å; V63-S65 VanDerWaalsContact C-N 3.33Å; V63-S65 PolarHBondContact O-N 3.37Å; V63-V66 PolarHBondContact O-N 2.8Å; V63-L67 HydrophobicContact CG1-CD1 3.97Å; V63-L67 WeakPolarHBondContact O-CG 3.1Å; V63-L67 PolarHBondContact O-N 2.82Å
64G89.6Confident86.9Confident37 Ų3785.1 Ų85.138%0.38146%0.458SS..Hα-helixtrans-61-40.8175.900000112.5C60 I62 L67 A68C60-G64 PolarHBondContact O-N 3.28Å; I62-G64 VanDerWaalsContact C-N 3.34Å; I62-G64 PolarHBondContact O-N 2.99Å; G64-L67 PolarHBondContact O-N 2.85Å; G64-A68 VanDerWaalsContact O-CB 3.26Å; G64-A68 WeakPolarHBondContact O-CB 3.31Å; G64-A68 PolarHBondContact O-N 3.22Å
65S90Very high86.7Confident70 Ų7083.6 Ų83.649%0.4945%0.451SS..Hα-helixtrans-66-42.9178.2-58.70000112.2I61 I62 V63 A68 Y69I61-S65 VanDerWaalsContact O-CB 3.29Å; I61-S65 WeakPolarHBondContact O-CB 3.39Å; I61-S65 PolarHBondContact O-N 2.66Å; I61-S65 PolarHBondContact O-OG 3.3Å; I62-S65 WeakPolarHBondContact O-CB 3.44Å; I62-S65 PolarHBondContact O-N 3.21Å; V63-S65 VanDerWaalsContact C-N 3.33Å; V63-S65 PolarHBondContact O-N 3.37Å; S65-A68 PolarHBondContact O-N 3.48Å; S65-Y69 WeakPolarHBondContact O-CB 3.36Å; S65-Y69 PolarHBondContact O-N 3.38Å
66V87.4Confident86.6Confident78 Ų7884.9 Ų84.947%0.47346%0.458SS..Hα-helixtrans-65.4-42.9177.2172.80000111.2I62 V63 Y69 K70I62-V66 WeakPolarHBondContact O-CG2 3.23Å; I62-V66 PolarHBondContact O-N 3.04Å; V63-V66 PolarHBondContact O-N 2.8Å; V66-Y69 PolarHBondContact O-N 3.42Å; V66-K70 WeakPolarHBondContact O-CG 3.29Å; V66-K70 PolarHBondContact O-N 2.72Å
67L85Confident86.2Confident82 Ų8283.8 Ų83.843%0.42945%0.451SS..Hα-helixtrans-64.8-44.3175.6-71.6171.1000111.6V63 G64 Y69 K70 I71V63-L67 HydrophobicContact CG1-CD1 3.97Å; V63-L67 WeakPolarHBondContact O-CG 3.1Å; V63-L67 PolarHBondContact O-N 2.82Å; G64-L67 PolarHBondContact O-N 2.85Å; L67-Y69 VanDerWaalsContact C-N 3.34Å; L67-Y69 PolarHBondContact O-N 2.8Å; L67-K70 PolarHBondContact O-N 2.65Å; L67-I71 VanDerWaalsContact O-CG1 3.31Å; L67-I71 WeakPolarHBondContact O-CG1 3Å; L67-I71 PolarHBondContact O-N 3.45Å
68A86Confident85.9Confident47 Ų4780 Ų8039%0.38843%0.431SS..Hα-helixtrans-61.2-42.4176.800000111.9G64 S65 I71 N72G64-A68 VanDerWaalsContact O-CB 3.26Å; G64-A68 WeakPolarHBondContact O-CB 3.31Å; G64-A68 PolarHBondContact O-N 3.22Å; S65-A68 PolarHBondContact O-N 3.48Å; A68-I71 PolarHBondContact O-N 3Å; A68-N72 WeakPolarHBondContact O-CB 3.49Å; A68-N72 PolarHBondContact O-N 3.15Å
69Y86Confident85.7Confident162 Ų16281 Ų8164%0.63543%0.431SS*.Hα-helixtrans-61.2-46.5175.9-178.8-98.6000112.1S65 V66 L67 I71 N72 Q73S65-Y69 WeakPolarHBondContact O-CB 3.36Å; S65-Y69 PolarHBondContact O-N 3.38Å; V66-Y69 PolarHBondContact O-N 3.42Å; L67-Y69 VanDerWaalsContact C-N 3.34Å; L67-Y69 PolarHBondContact O-N 2.8Å; Y69-I71 PolarHBondContact O-N 3.32Å; Y69-N72 PolarHBondContact O-N 3.45Å; Y69-Q73 WeakPolarHBondContact O-CB 3.38Å; Y69-Q73 PolarHBondContact O-N 3.02Å
70K82.2Confident85.3Confident95 Ų9578.2 Ų78.241%0.41342%0.419SS..Hα-helixtrans-62.4-42.4177.2-75.8-172.6174.5-166.80112.6V66 L67 Q73 Q74V66-K70 WeakPolarHBondContact O-CG 3.29Å; V66-K70 PolarHBondContact O-N 2.72Å; L67-K70 PolarHBondContact O-N 2.65Å; K70-Q73 PolarHBondContact O-N 3.2Å; K70-Q74 WeakPolarHBondContact O-CG 3.5Å; K70-Q74 PolarHBondContact O-N 3.47Å; K70-Q74 VanDerWaalsContact O-N 3.15Å
71I80.9Confident84.8Confident81 Ų8175.5 Ų75.542%0.41540%0.399SS..Hα-helixtrans-64.6-44.1177.7-69.2166.8000110.6L67 A68 Y69 Q74 N75L67-I71 VanDerWaalsContact O-CG1 3.31Å; L67-I71 WeakPolarHBondContact O-CG1 3Å; L67-I71 PolarHBondContact O-N 3.45Å; A68-I71 PolarHBondContact O-N 3Å; Y69-I71 PolarHBondContact O-N 3.32Å; I71-Q74 PolarHBondContact O-N 3.5Å; I71-N75 PolarHBondContact O-N 3.31Å; I71-N75 PolarHBondContact O-ND2 3.14Å
72N84Confident84.4Confident97 Ų9774.2 Ų74.252%0.51939%0.393SS..Hα-helixtrans-63.1-43.5178-77-12.7000112A68 Y69 Q74 N75 D76A68-N72 WeakPolarHBondContact O-CB 3.49Å; A68-N72 PolarHBondContact O-N 3.15Å; Y69-N72 PolarHBondContact O-N 3.45Å; N72-Q74 VanDerWaalsContact C-N 3.27Å; N72-Q74 PolarHBondContact O-N 2.96Å; N72-N75 PolarHBondContact O-N 3.33Å; N72-D76 WeakPolarHBondContact O-CB 3.26Å; N72-D76 PolarHBondContact O-N 3.28Å
73Q81.6Confident84.2Confident115 Ų11573.7 Ų73.754%0.53739%0.388SS..Hα-helixtrans-59.3-38.8176.7-171.8-179.72100112.2Y69 K70 W77Y69-Q73 WeakPolarHBondContact O-CB 3.38Å; Y69-Q73 PolarHBondContact O-N 3.02Å; K70-Q73 PolarHBondContact O-N 3.2Å; Q73-W77 WeakPolarHBondContact O-CB 3.09Å; Q73-W77 PolarHBondContact O-N 3.47Å
74Q79.2Confident83.8Confident22 Ų2275 Ų7510%0.10339%0.385CS..Hα-helixtrans-71.6-42.1176.9-72.7177.5-6.400112.6K70 I71 N72 D76 W77 I78 I98 E99 Y101K70-Q74 WeakPolarHBondContact O-CG 3.5Å; K70-Q74 PolarHBondContact O-N 3.47Å; K70-Q74 VanDerWaalsContact O-N 3.15Å; I71-Q74 PolarHBondContact O-N 3.5Å; N72-Q74 VanDerWaalsContact C-N 3.27Å; N72-Q74 PolarHBondContact O-N 2.96Å; Q74-D76 VanDerWaalsContact C-N 3.3Å; Q74-D76 PolarHBondContact O-N 3.42Å; Q74-W77 PolarHBondContact O-N 2.91Å; Q74-I78 WeakPolarHBondContact O-CG1 3.37Å; Q74-I78 PolarHBondContact O-N 2.88Å; Q74-I98 HydrophobicContact CG-CG2 4.31Å; Q74-E99 PolarHBondContact NE2-O 2.99Å; Q74-Y101 VanDerWaalsContact NE2-CD2 3.3Å
75N82.4Confident83.3Confident83 Ų8373.5 Ų73.544%0.44437%0.369SS..Hα-helixtrans-60.2-43175.6-73.1-20.3000111.1I71 N72 I78 K79I71-N75 PolarHBondContact O-N 3.31Å; I71-N75 PolarHBondContact O-ND2 3.14Å; N72-N75 PolarHBondContact O-N 3.33Å; N75-I78 PolarHBondContact O-N 3.48Å; N75-K79 VanDerWaalsContact O-CB 3.3Å; N75-K79 WeakPolarHBondContact O-CB 3.31Å; N75-K79 PolarHBondContact O-N 2.95Å
76D83.9Confident82.7Confident104 Ų10476.8 Ų76.856%0.55638%0.378SS*.Hα-helixtrans-63.3-44.3175.5-78-8.6000111.2N72 Q74 I78 K79 T80N72-D76 WeakPolarHBondContact O-CB 3.26Å; N72-D76 PolarHBondContact O-N 3.28Å; Q74-D76 VanDerWaalsContact C-N 3.3Å; Q74-D76 PolarHBondContact O-N 3.42Å; D76-I78 PolarHBondContact O-N 3.05Å; D76-K79 WeakPolarHBondContact O-CB 3.31Å; D76-K79 PolarHBondContact O-N 3.37Å; D76-T80 PolarHBondContact O-N 2.98Å; D76-T80 PolarHBondContact O-OG1 3.46Å; D76-T80 VanDerWaalsContact O-OG1 3.07Å
77W80.4Confident82.5Confident39 Ų3980.3 Ų80.315%0.14839%0.389CS..Hα-helixtrans-60.8-46.7176.3-179.387.5000112.3Q73 Q74 K79 T80 Q81 D95 I98 I100 Y108Q73-W77 WeakPolarHBondContact O-CB 3.09Å; Q73-W77 PolarHBondContact O-N 3.47Å; Q74-W77 PolarHBondContact O-N 2.91Å; W77-K79 VanDerWaalsContact C-N 3.33Å; W77-K79 PolarHBondContact O-N 2.95Å; W77-T80 PolarHBondContact O-N 3.43Å; W77-Q81 HydrophobicContact CD2-CG 4.06Å; W77-Q81 HydrophobicContact CE3-CG 4.19Å; W77-Q81 HydrophobicContact CH2-CG 4.06Å; W77-Q81 HydrophobicContact CZ2-CG 3.93Å; W77-Q81 HydrophobicContact CZ3-CG 4.19Å; W77-Q81 WeakPolarHBondContact O-CG 3Å; W77-Q81 PolarHBondContact O-N 3.23Å; W77-D95 PolarHBondContact NE1-OD2 2.95Å; W77-D95 VanDerWaalsContact NE1-OD2 3.14Å; W77-I98 HydrophobicContact CB-CD1 4.21Å; W77-I98 VanDerWaalsContact CD1-CD1 3.41Å; W77-I98 HydrophobicContact CD2-CD1 3.63Å; W77-I98 HydrophobicContact CE3-CD1 4.38Å; W77-I98 HydrophobicContact CG-CD1 3.51Å; W77-I98 HydrophobicContact CZ2-CD1 4.4Å; W77-I100 HydrophobicContact CH2-CD1 4.19Å; W77-I100 HydrophobicContact CZ3-CD1 4.41Å; W77-Y108 HydrophobicContact CH2-CD2 4.23Å
78I82.2Confident82Confident22 Ų2277.8 Ų77.811%0.11338%0.382CS..Hα-helixtrans-60.3-45176.6-69.8171000110.5Q74 N75 D76 T80 Q81 I82 T104 L107Q74-I78 WeakPolarHBondContact O-CG1 3.37Å; Q74-I78 PolarHBondContact O-N 2.88Å; N75-I78 PolarHBondContact O-N 3.48Å; D76-I78 PolarHBondContact O-N 3.05Å; I78-T80 VanDerWaalsContact C-N 3.31Å; I78-T80 PolarHBondContact O-N 2.9Å; I78-Q81 PolarHBondContact O-N 3.36Å; I78-Q81 VanDerWaalsContact O-N 3.11Å; I78-I82 HydrophobicContact CG2-CD1 3.84Å; I78-I82 HydrophobicContact CG2-CG1 4.4Å; I78-I82 WeakPolarHBondContact O-CG1 3Å; I78-I82 PolarHBondContact O-N 2.88Å; I78-T104 HydrophobicContact CD1-CG2 3.6Å; I78-L107 HydrophobicContact CD1-CD2 4.11Å; I78-L107 HydrophobicContact CG2-CD2 3.59Å
79K85.1Confident81.6Confident120 Ų12080.1 Ų80.152%0.52239%0.385SS..Hα-helixtrans-57.4-47177.4-176.5-176.8174-166.30110.5N75 D76 W77 Q81 I82 E83N75-K79 VanDerWaalsContact O-CB 3.3Å; N75-K79 WeakPolarHBondContact O-CB 3.31Å; N75-K79 PolarHBondContact O-N 2.95Å; D76-K79 WeakPolarHBondContact O-CB 3.31Å; D76-K79 PolarHBondContact O-N 3.37Å; W77-K79 VanDerWaalsContact C-N 3.33Å; W77-K79 PolarHBondContact O-N 2.95Å; K79-Q81 VanDerWaalsContact C-N 3.33Å; K79-Q81 PolarHBondContact O-N 3.01Å; K79-I82 PolarHBondContact O-N 3.04Å; K79-E83 WeakPolarHBondContact CE-OE1 3.44Å; K79-E83 IonicContact NZ-OE1 2.92Å; K79-E83 WeakPolarHBondContact O-CG 3.31Å; K79-E83 PolarHBondContact O-N 3.14Å
80T83.9Confident81Confident51 Ų5177.4 Ų77.431%0.31339%0.386SS..Hα-helixtrans-62.1-37.6175.5-56.70000112.3D76 W77 I78 E83 R84D76-T80 PolarHBondContact O-N 2.98Å; D76-T80 PolarHBondContact O-OG1 3.46Å; D76-T80 VanDerWaalsContact O-OG1 3.07Å; W77-T80 PolarHBondContact O-N 3.43Å; I78-T80 VanDerWaalsContact C-N 3.31Å; I78-T80 PolarHBondContact O-N 2.9Å; T80-E83 PolarHBondContact O-N 3.38Å; T80-R84 HydrophobicContact CG2-CG 4.42Å; T80-R84 WeakPolarHBondContact O-CB 3.49Å; T80-R84 VanDerWaalsContact O-CG 3.23Å; T80-R84 WeakPolarHBondContact O-CG 3.48Å; T80-R84 PolarHBondContact O-N 3.42Å
81Q80.9Confident80.5Confident12 Ų1273.4 Ų73.46%0.05637%0.37CS..Hα-helixtrans-66-38.3174.9-63.1-47.3-46.200112.5W77 I78 K79 S85 V91 L111W77-Q81 HydrophobicContact CD2-CG 4.06Å; W77-Q81 HydrophobicContact CE3-CG 4.19Å; W77-Q81 HydrophobicContact CH2-CG 4.06Å; W77-Q81 HydrophobicContact CZ2-CG 3.93Å; W77-Q81 HydrophobicContact CZ3-CG 4.19Å; W77-Q81 WeakPolarHBondContact O-CG 3Å; W77-Q81 PolarHBondContact O-N 3.23Å; I78-Q81 PolarHBondContact O-N 3.36Å; I78-Q81 VanDerWaalsContact O-N 3.11Å; K79-Q81 VanDerWaalsContact C-N 3.33Å; K79-Q81 PolarHBondContact O-N 3.01Å; Q81-S85 WeakPolarHBondContact O-CB 3.49Å; Q81-S85 PolarHBondContact O-N 3.3Å; Q81-V91 HydrophobicContact CB-CG1 4.1Å; Q81-V91 HydrophobicContact CG-CG1 4.35Å; Q81-V91 WeakPolarHBondContact O-CG2 3.39Å; Q81-L111 HydrophobicContact CB-CD2 4.03Å
82I82.6Confident79.9Confident70 Ų7071.6 Ų71.636%0.35937%0.371SS..Hα-helixtrans-66.6-44.4175.5-66.6169.4000110.3I78 K79 S85 M86 L111I78-I82 HydrophobicContact CG2-CD1 3.84Å; I78-I82 HydrophobicContact CG2-CG1 4.4Å; I78-I82 WeakPolarHBondContact O-CG1 3Å; I78-I82 PolarHBondContact O-N 2.88Å; K79-I82 PolarHBondContact O-N 3.04Å; I82-S85 WeakPolarHBondContact O-CB 3.37Å; I82-S85 PolarHBondContact O-N 2.9Å; I82-M86 HydrophobicContact CG2-SD 4.4Å; I82-M86 WeakPolarHBondContact O-CG 3.27Å; I82-M86 PolarHBondContact O-N 3.28Å; I82-L111 HydrophobicContact CG1-CD1 4.18Å; I82-L111 HydrophobicContact CG1-CD2 4.26Å
83E85.4Confident78.6Confident83 Ų8370.6 Ų70.639%0.38837%0.365SS..Hα-helixtrans-59.1-49.3176.1-74.4171.2168.800111.1K79 T80 S85 M86 E87K79-E83 WeakPolarHBondContact CE-OE1 3.44Å; K79-E83 IonicContact NZ-OE1 2.92Å; K79-E83 WeakPolarHBondContact O-CG 3.31Å; K79-E83 PolarHBondContact O-N 3.14Å; T80-E83 PolarHBondContact O-N 3.38Å; E83-S85 VanDerWaalsContact C-N 3.31Å; E83-S85 PolarHBondContact O-N 3.01Å; E83-M86 CarbonylContact O-C 3.59Å; E83-M86 WeakPolarHBondContact O-CA 3.42Å; E83-M86 WeakPolarHBondContact O-CB 3.49Å; E83-M86 PolarHBondContact O-N 3.07Å; E83-E87 WeakPolarHBondContact O-CG 3.31Å; E83-E87 PolarHBondContact O-N 3.2Å
84R81.1Confident77.4Confident105 Ų10572.1 Ų72.140%0.39638%0.376SS..Hα-helixtrans-56.2-43.6174.1-74.7179.4-177.1-179.52.1112.5T80 M86 E87 G88 E89T80-R84 HydrophobicContact CG2-CG 4.42Å; T80-R84 WeakPolarHBondContact O-CB 3.49Å; T80-R84 VanDerWaalsContact O-CG 3.23Å; T80-R84 WeakPolarHBondContact O-CG 3.48Å; T80-R84 PolarHBondContact O-N 3.42Å; R84-M86 VanDerWaalsContact C-N 3.35Å; R84-M86 PolarHBondContact O-N 2.75Å; R84-E87 PolarHBondContact O-N 3.41Å; R84-G88 PolarHBondContact O-N 3.12Å; R84-G88 VanDerWaalsContact O-N 3.16Å; R84-E89 HydrophobicContact CB-CB 4.11Å; R84-E89 VanDerWaalsContact CD-OE2 3.31Å; R84-E89 WeakPolarHBondContact CD-OE2 3.44Å; R84-E89 VanDerWaalsContact CG-OE2 3.23Å; R84-E89 WeakPolarHBondContact CG-OE2 3.37Å; R84-E89 IonicContact NE-OE2 2.64Å; R84-E89 WeakPolarHBondContact O-CB 3.43Å; R84-E89 PolarHBondContact O-N 3.07Å
85S78.3Confident76.3Confident6 Ų674.9 Ų74.94%0.04239%0.392CS..Hα-helixtrans-61.6-41.8175.2177.50000112.3Q81 I82 E83 E87 G88 N115 R122Q81-S85 WeakPolarHBondContact O-CB 3.49Å; Q81-S85 PolarHBondContact O-N 3.3Å; I82-S85 WeakPolarHBondContact O-CB 3.37Å; I82-S85 PolarHBondContact O-N 2.9Å; E83-S85 VanDerWaalsContact C-N 3.31Å; E83-S85 PolarHBondContact O-N 3.01Å; S85-E87 VanDerWaalsContact C-N 3.32Å; S85-G88 PolarHBondContact O-N 3.25Å; S85-N115 WeakPolarHBondContact CA-ND2 3.39Å; S85-N115 VanDerWaalsContact CB-ND2 3.3Å; S85-N115 WeakPolarHBondContact CB-ND2 3.47Å; S85-N115 PolarHBondContact OG-ND2 3.47Å; S85-R122 PolarHBondContact O-NH1 3.28Å; S85-R122 VanDerWaalsContact O-NH1 3.09Å
86M78.3Confident74.7Confident138 Ų13879 Ų7968%0.6841%0.409SS*.Hα-helixtrans-64.4-36.6174.9-73.9-176.858.700111.9I82 E83 R84 G88 R122I82-M86 HydrophobicContact CG2-SD 4.4Å; I82-M86 WeakPolarHBondContact O-CG 3.27Å; I82-M86 PolarHBondContact O-N 3.28Å; E83-M86 CarbonylContact O-C 3.59Å; E83-M86 WeakPolarHBondContact O-CA 3.42Å; E83-M86 WeakPolarHBondContact O-CB 3.49Å; E83-M86 PolarHBondContact O-N 3.07Å; R84-M86 VanDerWaalsContact C-N 3.35Å; R84-M86 PolarHBondContact O-N 2.75Å; M86-G88 VanDerWaalsContact C-N 3.33Å; M86-G88 PolarHBondContact O-N 3.01Å; M86-R122 PolarHBondContact O-NH2 2.91Å
87E83.2Confident73.2Confident153 Ų15381.2 Ų81.272%0.71542%0.42SS*.Hα-helixtrans-75.5-15.5179.8-72.9179.1175.100114.4E83 R84 S85E83-E87 WeakPolarHBondContact O-CG 3.31Å; E83-E87 PolarHBondContact O-N 3.2Å; R84-E87 PolarHBondContact O-N 3.41Å; S85-E87 VanDerWaalsContact C-N 3.32Å
88G75Confident72Confident28 Ų2881.9 Ų81.929%0.28943%0.426SS..THydrogen-bonded Turntrans124.8-17.2-179.300000115.3R84 S85 M86R84-G88 PolarHBondContact O-N 3.12Å; R84-G88 VanDerWaalsContact O-N 3.16Å; S85-G88 PolarHBondContact O-N 3.25Å; M86-G88 VanDerWaalsContact C-N 3.33Å; M86-G88 PolarHBondContact O-N 3.01Å
89E77.2Confident70.9Confident96 Ų9689.1 Ų89.145%0.44946%0.459SS..PPolyproline II helixtrans-76.1147.8-169.5-57.3-171.8168.700111.8R84 N115R84-E89 HydrophobicContact CB-CB 4.11Å; R84-E89 VanDerWaalsContact CD-OE2 3.31Å; R84-E89 WeakPolarHBondContact CD-OE2 3.44Å; R84-E89 VanDerWaalsContact CG-OE2 3.23Å; R84-E89 WeakPolarHBondContact CG-OE2 3.37Å; R84-E89 IonicContact NE-OE2 2.64Å; R84-E89 WeakPolarHBondContact O-CB 3.43Å; R84-E89 PolarHBondContact O-N 3.07Å; E89-N115 PolarHBondContact O-ND2 2.92Å
90T73Confident69.6Low106 Ų10685.2 Ų85.265%0.6544%0.444SS*.PPolyproline II helixtrans-79.8126.8173.654.90000110.1N115T90-N115 WeakPolarHBondContact CA-OD1 3.39Å
91V72.1Confident68.8Low11 Ų1187.6 Ų87.67%0.06745%0.448CS..PPolyproline II helixtrans-95.3131.6-178.3177.20000110.6Q81 Y108 L111 N115Q81-V91 HydrophobicContact CB-CG1 4.1Å; Q81-V91 HydrophobicContact CG-CG1 4.35Å; Q81-V91 WeakPolarHBondContact O-CG2 3.39Å; V91-Y108 HydrophobicContact CG1-CE2 4Å; V91-L111 HydrophobicContact CG1-CD2 4.19Å; V91-N115 PolarHBondContact N-OD1 3.29Å
92G67.9Low68.1Low43 Ų4390.2 Ų90.244%0.44347%0.468SS..  trans-148.7143.4-176.100000114.1N94 Y108G92-N94 PolarHBondContact O-N 2.91Å; G92-Y108 WeakPolarHBondContact CA-OH 3.34Å
93I57.7Low67.3Low76 Ų7690.5 Ų90.539%0.3947%0.467SS..SBendtrans-78.967170.8-61.8148.7000107.9Y108I93-Y108 HydrophobicContact CB-CE1 4.44Å; I93-Y108 HydrophobicContact CD1-CD1 3.37Å; I93-Y108 HydrophobicContact CD1-CE1 3.04Å; I93-Y108 HydrophobicContact CD1-CE2 4.4Å; I93-Y108 HydrophobicContact CD1-CG 4.19Å; I93-Y108 HydrophobicContact CG1-CD1 3.8Å; I93-Y108 HydrophobicContact CG1-CD2 4.2Å; I93-Y108 HydrophobicContact CG1-CE1 3.29Å; I93-Y108 HydrophobicContact CG1-CE2 3.74Å; I93-Y108 HydrophobicContact CG1-CG 4.23Å; I93-Y108 PolarHBondContact N-OH 3.49Å
94N55.6Low66.5Low146 Ų14687.5 Ų87.578%0.78146%0.455SS*.  trans-104.15.5158.1-97.3-5.9000112.1G92 Q96G92-N94 PolarHBondContact O-N 2.91Å; N94-Q96 VanDerWaalsContact C-N 3.31Å; N94-Q96 PolarHBondContact O-N 3.25Å
95D56.1Low66.1Low80 Ų8085.6 Ų85.643%0.42845%0.452SS..  trans-81.482.2170.6-149.8-5.1000108.8W77 N97W77-D95 PolarHBondContact NE1-OD2 2.95Å; W77-D95 VanDerWaalsContact NE1-OD2 3.14Å; D95-N97 PolarHBondContact O-N 3.18Å
96Q49.5Very low66Low171 Ų17190.3 Ų90.380%0.79948%0.477SS*.THydrogen-bonded Turntrans-63.95-167.1-76.5-173.6-28.800116.3N94N94-Q96 VanDerWaalsContact C-N 3.31Å; N94-Q96 PolarHBondContact O-N 3.25Å
97N51.7Low66Low150 Ų15088.1 Ų88.180%0.80247%0.468SS*.THydrogen-bonded Turntrans-122.88.5-165.2-73.1-27.4000116.4D95D95-N97 PolarHBondContact O-N 3.18Å
98I55.3Low65.6Low52 Ų5281.8 Ų81.827%0.26744%0.437SS..  trans-102.1115.1174.7-53.5178.5000108.4Q74 W77 I100Q74-I98 HydrophobicContact CG-CG2 4.31Å; W77-I98 HydrophobicContact CB-CD1 4.21Å; W77-I98 VanDerWaalsContact CD1-CD1 3.41Å; W77-I98 HydrophobicContact CD2-CD1 3.63Å; W77-I98 HydrophobicContact CE3-CD1 4.38Å; W77-I98 HydrophobicContact CG-CD1 3.51Å; W77-I98 HydrophobicContact CZ2-CD1 4.4Å; I98-I100 HydrophobicContact CB-CG1 4Å; I98-I100 HydrophobicContact CG2-CG1 3.76Å; I98-I100 WeakPolarHBondContact O-CG1 3.34Å; I98-I100 PolarHBondContact O-N 2.87Å
99E59.7Low65.8Low174 Ų17485.8 Ų85.881%0.81345%0.448SS*.  trans-68.386.7163.5-160.3174.7-160.500106.9Q74 Y101Q74-E99 PolarHBondContact NE2-O 2.99Å; E99-Y101 PolarHBondContact O-N 3.11Å
100I58Low66.1Low38 Ų3885.9 Ų85.920%0.19546%0.456CS..  trans-72.7117.3-177.1-69.3172.6000107.2W77 I98 T104 L105W77-I100 HydrophobicContact CH2-CD1 4.19Å; W77-I100 HydrophobicContact CZ3-CD1 4.41Å; I98-I100 HydrophobicContact CB-CG1 4Å; I98-I100 HydrophobicContact CG2-CG1 3.76Å; I98-I100 WeakPolarHBondContact O-CG1 3.34Å; I98-I100 PolarHBondContact O-N 2.87Å; I100-T104 WeakPolarHBondContact CG2-OG1 3.3Å; I100-L105 HydrophobicContact CG2-CB 3.85Å; I100-L105 HydrophobicContact CG2-CD1 4.29Å; I100-L105 VanDerWaalsContact CG2-N 3.25Å
101Y65.3Low66.5Low101 Ų10182 Ų8240%0.39643%0.431SS..  trans-57.9155.1171.6-70.2-78.2000110.6Q74 E99 E103 T104 L105Q74-Y101 VanDerWaalsContact NE2-CD2 3.3Å; E99-Y101 PolarHBondContact O-N 3.11Å; Y101-E103 PolarHBondContact O-N 2.94Å; Y101-T104 PolarHBondContact N-OG1 3.41Å; Y101-T104 VanDerWaalsContact N-OG1 3.13Å; Y101-T104 PolarHBondContact O-N 2.9Å; Y101-T104 PolarHBondContact O-OG1 3.44Å; Y101-L105 PolarHBondContact O-N 2.89Å; Y101-L105 VanDerWaalsContact O-N 3.12Å
102S66.5Low67.1Low68 Ų6882.7 Ų82.748%0.47644%0.435SS..Hα-helixtrans-47.7-40.2-179.4440000114.1L105 D106S102-L105 WeakPolarHBondContact O-CB 3.34Å; S102-L105 PolarHBondContact O-N 3.25Å; S102-D106 PolarHBondContact O-N 2.91Å
103E65.5Low67.9Low75 Ų7583.7 Ų83.735%0.3543%0.434SS..Hα-helixtrans-70.8-36-179-6783.8174.800113.4R6 Y101 L105 D106 L107R6-E103 IonicContact CZ-OE1 2.66Å; R6-E103 IonicContact NH1-OE1 2.8Å; R6-E103 PolarHBondContact NH1-OE1 3.34Å; R6-E103 IonicContact NH1-OE2 3.01Å; R6-E103 IonicContact NH2-OE1 3.94Å; R6-E103 PolarHBondContact NH2-OE1 2.76Å; R6-E103 IonicContact NH2-OE2 3.32Å; Y101-E103 PolarHBondContact O-N 2.94Å; E103-L105 VanDerWaalsContact C-N 3.26Å; E103-D106 PolarHBondContact O-N 3.43Å; E103-L107 PolarHBondContact O-N 3.46Å
104T68.7Low69.2Low21 Ų2184.6 Ų84.613%0.12944%0.439CS..Hα-helixtrans-74.2-25.7178.350.10000110.8I78 I100 Y101 Y108I78-T104 HydrophobicContact CD1-CG2 3.6Å; I100-T104 WeakPolarHBondContact CG2-OG1 3.3Å; Y101-T104 PolarHBondContact N-OG1 3.41Å; Y101-T104 VanDerWaalsContact N-OG1 3.13Å; Y101-T104 PolarHBondContact O-N 2.9Å; Y101-T104 PolarHBondContact O-OG1 3.44Å; T104-Y108 VanDerWaalsContact O-CB 3.31Å; T104-Y108 WeakPolarHBondContact O-CB 3.42Å; T104-Y108 PolarHBondContact O-N 3.47Å
105L73.1Confident70.5Confident65 Ų6577.9 Ų77.934%0.3440%0.403SS..Hα-helixtrans-68.4-41.6171.7-167.869.8000112I100 Y101 S102 E103 Y108 H109I100-L105 HydrophobicContact CG2-CB 3.85Å; I100-L105 HydrophobicContact CG2-CD1 4.29Å; I100-L105 VanDerWaalsContact CG2-N 3.25Å; Y101-L105 PolarHBondContact O-N 2.89Å; Y101-L105 VanDerWaalsContact O-N 3.12Å; S102-L105 WeakPolarHBondContact O-CB 3.34Å; S102-L105 PolarHBondContact O-N 3.25Å; E103-L105 VanDerWaalsContact C-N 3.26Å; L105-Y108 WeakPolarHBondContact O-CB 3.3Å; L105-Y108 PolarHBondContact O-N 3.46Å; L105-H109 PolarHBondContact O-CD2 3.49Å; L105-H109 PolarHBondContact O-N 2.93Å
106D76.8Confident72Confident104 Ų10479 Ų7956%0.55641%0.405SS*.Hα-helixtrans-64.5-43.8176.3-73.5-18.2000112.1S102 E103 Y108 H109 T110S102-D106 PolarHBondContact O-N 2.91Å; E103-D106 PolarHBondContact O-N 3.43Å; D106-Y108 PolarHBondContact O-N 3.29Å; D106-H109 PolarHBondContact O-N 2.87Å; D106-T110 PolarHBondContact O-N 2.85Å; D106-T110 VanDerWaalsContact O-N 3.12Å; D106-T110 PolarHBondContact O-OG1 3.3Å
107L77.3Confident73.7Confident93 Ų9375.8 Ų75.849%0.48739%0.39SS..Hα-helixtrans-59.7-40.7175.4-157.184.3000110.6I78 E103 T110 L111I78-L107 HydrophobicContact CD1-CD2 4.11Å; I78-L107 HydrophobicContact CG2-CD2 3.59Å; E103-L107 PolarHBondContact O-N 3.46Å; L107-T110 WeakPolarHBondContact O-CB 3.35Å; L107-T110 PolarHBondContact O-N 3.39Å; L107-L111 WeakPolarHBondContact O-CB 3.44Å; L107-L111 PolarHBondContact O-N 3.26Å
108Y75.7Confident75.4Confident20 Ų2071.8 Ų71.88%0.07837%0.369CS..Hα-helixtrans-66.7-45176.8-178.6-87.3000112.9W77 V91 G92 I93 T104 L105 D106 T110 L111 V112W77-Y108 HydrophobicContact CH2-CD2 4.23Å; V91-Y108 HydrophobicContact CG1-CE2 4Å; G92-Y108 WeakPolarHBondContact CA-OH 3.34Å; I93-Y108 HydrophobicContact CB-CE1 4.44Å; I93-Y108 HydrophobicContact CD1-CD1 3.37Å; I93-Y108 HydrophobicContact CD1-CE1 3.04Å; I93-Y108 HydrophobicContact CD1-CE2 4.4Å; I93-Y108 HydrophobicContact CD1-CG 4.19Å; I93-Y108 HydrophobicContact CG1-CD1 3.8Å; I93-Y108 HydrophobicContact CG1-CD2 4.2Å; I93-Y108 HydrophobicContact CG1-CE1 3.29Å; I93-Y108 HydrophobicContact CG1-CE2 3.74Å; I93-Y108 HydrophobicContact CG1-CG 4.23Å; I93-Y108 PolarHBondContact N-OH 3.49Å; T104-Y108 VanDerWaalsContact O-CB 3.31Å; T104-Y108 WeakPolarHBondContact O-CB 3.42Å; T104-Y108 PolarHBondContact O-N 3.47Å; L105-Y108 WeakPolarHBondContact O-CB 3.3Å; L105-Y108 PolarHBondContact O-N 3.46Å; D106-Y108 PolarHBondContact O-N 3.29Å; Y108-T110 PolarHBondContact O-N 2.88Å; Y108-T110 VanDerWaalsContact O-N 3.14Å; Y108-L111 PolarHBondContact O-N 3.4Å; Y108-V112 HydrophobicContact CD1-CG2 3.97Å; Y108-V112 HydrophobicContact CD2-CG2 4.3Å; Y108-V112 HydrophobicContact CE1-CB 4.37Å; Y108-V112 HydrophobicContact CE1-CG2 3.2Å; Y108-V112 HydrophobicContact CE2-CG2 3.62Å; Y108-V112 HydrophobicContact CG-CG2 4.44Å; Y108-V112 PolarHBondContact O-N 2.93Å; Y108-V112 WeakPolarHBondContact OH-CG2 3.42Å
109H79.8Confident76.8Confident111 Ų11172.8 Ų72.851%0.51437%0.372SS..Hα-helixtrans-59.9-22.5174.6-80.1-53.2000112.8L105 D106 P113L105-H109 PolarHBondContact O-CD2 3.49Å; L105-H109 PolarHBondContact O-N 2.93Å; D106-H109 PolarHBondContact O-N 2.87Å; H109-P113 WeakPolarHBondContact O-CD 3.45Å; H109-P113 VanDerWaalsContact O-CG 3.27Å; H109-P113 WeakPolarHBondContact O-CG 3.23Å
110T82Confident78.1Confident99 Ų9969.9 Ų69.961%0.60736%0.357SS*.Hα-helixtrans-86.2-39.2172.2-51.30000112.1D106 L107 Y108 L114D106-T110 PolarHBondContact O-N 2.85Å; D106-T110 VanDerWaalsContact O-N 3.12Å; D106-T110 PolarHBondContact O-OG1 3.3Å; L107-T110 WeakPolarHBondContact O-CB 3.35Å; L107-T110 PolarHBondContact O-N 3.39Å; Y108-T110 PolarHBondContact O-N 2.88Å; Y108-T110 VanDerWaalsContact O-N 3.14Å; T110-L114 WeakPolarHBondContact O-CB 3.38Å; T110-L114 PolarHBondContact O-N 2.94Å
111L82Confident79.6Confident25 Ų2572.9 Ų72.913%0.13137%0.373CS..Hα-helixtrans-67.4-41.3-177.2-175.865.5000112.7Q81 I82 V91 L107 Y108 L114 N115Q81-L111 HydrophobicContact CB-CD2 4.03Å; I82-L111 HydrophobicContact CG1-CD1 4.18Å; I82-L111 HydrophobicContact CG1-CD2 4.26Å; V91-L111 HydrophobicContact CG1-CD2 4.19Å; L107-L111 WeakPolarHBondContact O-CB 3.44Å; L107-L111 PolarHBondContact O-N 3.26Å; Y108-L111 PolarHBondContact O-N 3.4Å; L111-L114 PolarHBondContact O-N 2.9Å; L111-N115 WeakPolarHBondContact O-CB 3.43Å; L111-N115 PolarHBondContact O-N 2.88Å
112V84.6Confident80.6Confident24 Ų2473 Ų7315%0.14537%0.372CS..Hα-helixtrans-64-52.6-176.5173.70000113Y108 L114 N115 Q116Y108-V112 HydrophobicContact CD1-CG2 3.97Å; Y108-V112 HydrophobicContact CD2-CG2 4.3Å; Y108-V112 HydrophobicContact CE1-CB 4.37Å; Y108-V112 HydrophobicContact CE1-CG2 3.2Å; Y108-V112 HydrophobicContact CE2-CG2 3.62Å; Y108-V112 HydrophobicContact CG-CG2 4.44Å; Y108-V112 PolarHBondContact O-N 2.93Å; Y108-V112 WeakPolarHBondContact OH-CG2 3.42Å; V112-L114 VanDerWaalsContact C-N 3.26Å; V112-L114 PolarHBondContact O-N 3.45Å; V112-N115 PolarHBondContact O-N 3.42Å; V112-Q116 HydrophobicContact CG1-CG 4.48Å; V112-Q116 WeakPolarHBondContact O-CG 3.44Å; V112-Q116 PolarHBondContact O-N 3.16Å
113P85.2Confident81.6Confident65 Ų6573.2 Ų73.242%0.42237%0.368SS..Hα-helixtrans-61-38.1177.5-22.635.2000111.7H109 Q116 E117H109-P113 WeakPolarHBondContact O-CD 3.45Å; H109-P113 VanDerWaalsContact O-CG 3.27Å; H109-P113 WeakPolarHBondContact O-CG 3.23Å; P113-Q116 WeakPolarHBondContact O-CB 3.37Å; P113-Q116 PolarHBondContact O-N 2.91Å; P113-E117 WeakPolarHBondContact O-CG 3.23Å; P113-E117 PolarHBondContact O-N 3.05Å
114L83.8Confident82.6Confident95 Ų9576 Ų7650%0.49738%0.379SS..Hα-helixtrans-61.8-45.6175.917962.9000111.9T110 L111 V112 Q116 E117 L118T110-L114 WeakPolarHBondContact O-CB 3.38Å; T110-L114 PolarHBondContact O-N 2.94Å; L111-L114 PolarHBondContact O-N 2.9Å; V112-L114 VanDerWaalsContact C-N 3.26Å; V112-L114 PolarHBondContact O-N 3.45Å; L114-Q116 VanDerWaalsContact C-N 3.32Å; L114-Q116 PolarHBondContact O-N 2.87Å; L114-E117 PolarHBondContact O-N 3.43Å; L114-L118 HydrophobicContact CD1-CG 4.45Å; L114-L118 HydrophobicContact CG-CD1 4.32Å; L114-L118 WeakPolarHBondContact O-CG 3.37Å; L114-L118 PolarHBondContact O-N 3.33Å
115N84Confident83.3Confident4 Ų478.6 Ų78.62%0.02140%0.395CS..Hα-helixtrans-61.2-41.5175.8177.5-97.3000111.5S85 E89 T90 V91 L111 V112 L118 H119S85-N115 WeakPolarHBondContact CA-ND2 3.39Å; S85-N115 VanDerWaalsContact CB-ND2 3.3Å; S85-N115 WeakPolarHBondContact CB-ND2 3.47Å; S85-N115 PolarHBondContact OG-ND2 3.47Å; E89-N115 PolarHBondContact O-ND2 2.92Å; T90-N115 WeakPolarHBondContact CA-OD1 3.39Å; V91-N115 PolarHBondContact N-OD1 3.29Å; L111-N115 WeakPolarHBondContact O-CB 3.43Å; L111-N115 PolarHBondContact O-N 2.88Å; V112-N115 PolarHBondContact O-N 3.42Å; N115-L118 PolarHBondContact O-N 3.24Å; N115-H119 WeakPolarHBondContact O-CB 3.5Å; N115-H119 PolarHBondContact O-N 3.21Å
116Q86.5Confident83.8Confident104 Ų10480.8 Ų80.849%0.48640%0.403SS..Hα-helixtrans-62.2-43174.7-71.4176.9-6.400112.1V112 P113 L114 H119 K120V112-Q116 HydrophobicContact CG1-CG 4.48Å; V112-Q116 WeakPolarHBondContact O-CG 3.44Å; V112-Q116 PolarHBondContact O-N 3.16Å; P113-Q116 WeakPolarHBondContact O-CB 3.37Å; P113-Q116 PolarHBondContact O-N 2.91Å; L114-Q116 VanDerWaalsContact C-N 3.32Å; L114-Q116 PolarHBondContact O-N 2.87Å; Q116-H119 PolarHBondContact O-N 2.87Å; Q116-K120 WeakPolarHBondContact O-CG 3.41Å; Q116-K120 PolarHBondContact O-N 3.28Å
117E87.1Confident84.3Confident104 Ų10479.9 Ų79.949%0.48640%0.399SS..Hα-helixtrans-67-41.7176.5-72.3-54.8133.800112.3P113 L114 H119 K120 L121P113-E117 WeakPolarHBondContact O-CG 3.23Å; P113-E117 PolarHBondContact O-N 3.05Å; L114-E117 PolarHBondContact O-N 3.43Å; E117-H119 VanDerWaalsContact C-N 3.3Å; E117-H119 PolarHBondContact O-N 3.19Å; E117-K120 PolarHBondContact O-N 3.41Å; E117-K120 IonicContact OE1-NZ 3.62Å; E117-K120 PolarHBondContact OE1-NZ 3.09Å; E117-L121 WeakPolarHBondContact O-CB 3.42Å; E117-L121 PolarHBondContact O-N 3.42Å
118L85.7Confident84.6Confident66 Ų6679.2 Ų79.235%0.34640%0.395SS..Hα-helixtrans-61.1-40.2173.2-73.6175.2000111.8L114 N115 L121 R122L114-L118 HydrophobicContact CD1-CG 4.45Å; L114-L118 HydrophobicContact CG-CD1 4.32Å; L114-L118 WeakPolarHBondContact O-CG 3.37Å; L114-L118 PolarHBondContact O-N 3.33Å; N115-L118 PolarHBondContact O-N 3.24Å; L118-L121 PolarHBondContact O-N 3.37Å; L118-R122 WeakPolarHBondContact O-CB 3.43Å; L118-R122 VanDerWaalsContact O-CG 3.31Å; L118-R122 WeakPolarHBondContact O-CG 3.4Å; L118-R122 PolarHBondContact O-N 3.45Å
119H85.4Confident84.8Confident72 Ų7282.2 Ų82.233%0.33342%0.415SS..Hα-helixtrans-64.9-45.4176.1-171.876.8000111.7N115 Q116 E117 L121 R122 L123N115-H119 WeakPolarHBondContact O-CB 3.5Å; N115-H119 PolarHBondContact O-N 3.21Å; Q116-H119 PolarHBondContact O-N 2.87Å; E117-H119 VanDerWaalsContact C-N 3.3Å; E117-H119 PolarHBondContact O-N 3.19Å; H119-L121 VanDerWaalsContact C-N 3.32Å; H119-L121 PolarHBondContact O-N 2.99Å; H119-R122 PolarHBondContact O-N 3.42Å; H119-L123 WeakPolarHBondContact O-CG 3.42Å; H119-L123 PolarHBondContact O-N 2.89Å
120K88Confident84.9Confident113 Ų11380.8 Ų80.849%0.49141%0.412SS..Hα-helixtrans-59.1-42173.5-72.7175-168167.10112.1Q116 E117 L123 K124Q116-K120 WeakPolarHBondContact O-CG 3.41Å; Q116-K120 PolarHBondContact O-N 3.28Å; E117-K120 PolarHBondContact O-N 3.41Å; E117-K120 IonicContact OE1-NZ 3.62Å; E117-K120 PolarHBondContact OE1-NZ 3.09Å; K120-L123 PolarHBondContact O-N 3.36Å; K120-K124 WeakPolarHBondContact O-CB 3.12Å; K120-K124 PolarHBondContact O-N 2.92Å
121L88Confident84.8Confident102 Ų10281.3 Ų81.353%0.53441%0.407SS..Hα-helixtrans-64.7-43.2178.5-174.364000111.4E117 L118 H119 K124 T125E117-L121 WeakPolarHBondContact O-CB 3.42Å; E117-L121 PolarHBondContact O-N 3.42Å; L118-L121 PolarHBondContact O-N 3.37Å; H119-L121 VanDerWaalsContact C-N 3.32Å; H119-L121 PolarHBondContact O-N 2.99Å; L121-K124 PolarHBondContact O-N 3.38Å; L121-T125 PolarHBondContact O-N 2.89Å; L121-T125 PolarHBondContact O-OG1 3.45Å; L121-T125 VanDerWaalsContact O-OG1 3.12Å
122R86.6Confident84.7Confident102 Ų10284.2 Ų84.239%0.38542%0.423SS..Hα-helixtrans-58.3-48.8174.3-76.2169.5168.9155.2-7.3111.7S85 M86 L118 H119 K124 T125 Q126S85-R122 PolarHBondContact O-NH1 3.28Å; S85-R122 VanDerWaalsContact O-NH1 3.09Å; M86-R122 PolarHBondContact O-NH2 2.91Å; L118-R122 WeakPolarHBondContact O-CB 3.43Å; L118-R122 VanDerWaalsContact O-CG 3.31Å; L118-R122 WeakPolarHBondContact O-CG 3.4Å; L118-R122 PolarHBondContact O-N 3.45Å; H119-R122 PolarHBondContact O-N 3.42Å; R122-K124 VanDerWaalsContact C-N 3.33Å; R122-K124 PolarHBondContact O-N 2.88Å; R122-T125 PolarHBondContact O-N 3.33Å; R122-Q126 PolarHBondContact O-N 2.75Å
123L88.6Confident84.1Confident73 Ų7390 Ų9038%0.38244%0.443SS..Hα-helixtrans-60.9-41.6176.6-70.2176.3000112H119 K120 Q126 N127H119-L123 WeakPolarHBondContact O-CG 3.42Å; H119-L123 PolarHBondContact O-N 2.89Å; K120-L123 PolarHBondContact O-N 3.36Å; L123-Q126 PolarHBondContact O-N 2.94Å; L123-N127 WeakPolarHBondContact O-CB 3.27Å; L123-N127 VanDerWaalsContact O-CG 3.24Å; L123-N127 PolarHBondContact O-N 3.12Å; L123-N127 PolarHBondContact O-ND2 3.49Å
124K85.5Confident83.8Confident133 Ų13391.6 Ų91.658%0.57845%0.448SS*.Hα-helixtrans-62.8-45.7176.7-174.6175.7-179.3179.40111.7K120 L121 R122 Q126 N127 L128K120-K124 WeakPolarHBondContact O-CB 3.12Å; K120-K124 PolarHBondContact O-N 2.92Å; L121-K124 PolarHBondContact O-N 3.38Å; R122-K124 VanDerWaalsContact C-N 3.33Å; R122-K124 PolarHBondContact O-N 2.88Å; K124-Q126 VanDerWaalsContact C-N 3.34Å; K124-Q126 PolarHBondContact O-N 2.78Å; K124-N127 PolarHBondContact O-N 3.31Å; K124-L128 HydrophobicContact CG-CD1 4.14Å; K124-L128 HydrophobicContact CG-CG 4.49Å; K124-L128 WeakPolarHBondContact O-CB 3.42Å; K124-L128 VanDerWaalsContact O-CG 3.28Å; K124-L128 WeakPolarHBondContact O-CG 3.31Å; K124-L128 PolarHBondContact O-N 2.95Å
125T83.5Confident83.5Confident76 Ų7690.7 Ų90.747%0.46644%0.443SS..Hα-helixtrans-61.8-43176.6-59.20000111L121 R122 L128 T129L121-T125 PolarHBondContact O-N 2.89Å; L121-T125 PolarHBondContact O-OG1 3.45Å; L121-T125 VanDerWaalsContact O-OG1 3.12Å; R122-T125 PolarHBondContact O-N 3.33Å; T125-L128 PolarHBondContact O-N 3.01Å; T125-T129 PolarHBondContact O-N 2.9Å; T125-T129 PolarHBondContact O-OG1 3.31Å
126Q84.2Confident83.1Confident111 Ų11194.8 Ų94.852%0.51947%0.465SS..Hα-helixtrans-61.5-45.7176.2-173.3-179.832.400112.1R122 L123 K124 T129 N130R122-Q126 PolarHBondContact O-N 2.75Å; L123-Q126 PolarHBondContact O-N 2.94Å; K124-Q126 VanDerWaalsContact C-N 3.34Å; K124-Q126 PolarHBondContact O-N 2.78Å; Q126-T129 PolarHBondContact O-N 3.32Å; Q126-N130 WeakPolarHBondContact O-CB 3.28Å; Q126-N130 PolarHBondContact O-N 2.89Å
127N86.4Confident82.6Confident86 Ų8692.3 Ų92.346%0.4646%0.455SS..Hα-helixtrans-61.8-44.1176.5-71.4-16.2000111.2L123 K124 T129 N130 E131L123-N127 WeakPolarHBondContact O-CB 3.27Å; L123-N127 VanDerWaalsContact O-CG 3.24Å; L123-N127 PolarHBondContact O-N 3.12Å; L123-N127 PolarHBondContact O-ND2 3.49Å; K124-N127 PolarHBondContact O-N 3.31Å; N127-T129 PolarHBondContact O-N 3.48Å; N127-N130 PolarHBondContact O-N 3.35Å; N127-E131 VanDerWaalsContact O-CB 3.29Å; N127-E131 WeakPolarHBondContact O-CB 3.44Å; N127-E131 VanDerWaalsContact O-CG 3.27Å; N127-E131 WeakPolarHBondContact O-CG 3.29Å; N127-E131 PolarHBondContact O-N 3.31Å
128L83.6Confident82.3Confident78 Ų7892 Ų9241%0.40846%0.46SS..Hα-helixtrans-62.7-41.5175.9-72.5171.5000112.2K124 T125 N132K124-L128 HydrophobicContact CG-CD1 4.14Å; K124-L128 HydrophobicContact CG-CG 4.49Å; K124-L128 WeakPolarHBondContact O-CB 3.42Å; K124-L128 VanDerWaalsContact O-CG 3.28Å; K124-L128 WeakPolarHBondContact O-CG 3.31Å; K124-L128 PolarHBondContact O-N 2.95Å; T125-L128 PolarHBondContact O-N 3.01Å; L128-N132 WeakPolarHBondContact O-CB 3.29Å; L128-N132 PolarHBondContact O-N 2.9Å; L128-N132 PolarHBondContact O-ND2 2.86Å
129T80.8Confident82Confident83 Ų8394.8 Ų94.851%0.50947%0.469SS..Hα-helixtrans-63.5-44.7175.7-59.50000111.1T125 Q126 N127 N132 Y133T125-T129 PolarHBondContact O-N 2.9Å; T125-T129 PolarHBondContact O-OG1 3.31Å; Q126-T129 PolarHBondContact O-N 3.32Å; N127-T129 PolarHBondContact O-N 3.48Å; T129-N132 PolarHBondContact O-N 2.8Å; T129-Y133 VanDerWaalsContact O-CB 3.29Å; T129-Y133 WeakPolarHBondContact O-CB 3.45Å; T129-Y133 PolarHBondContact O-N 2.91Å
130N80.8Confident81.8Confident82 Ų8295 Ų9544%0.43948%0.476SS..Hα-helixtrans-67.4-42178.3-73.4-15.4000112.4Q126 N127 Y133 N134Q126-N130 WeakPolarHBondContact O-CB 3.28Å; Q126-N130 PolarHBondContact O-N 2.89Å; N127-N130 PolarHBondContact O-N 3.35Å; N130-Y133 PolarHBondContact O-N 3.45Å; N130-N134 WeakPolarHBondContact O-CB 3.13Å; N130-N134 VanDerWaalsContact O-CG 3.29Å; N130-N134 PolarHBondContact O-N 2.86Å; N130-N134 PolarHBondContact O-ND2 3.48Å
131E81.5Confident81.2Confident109 Ų10995.9 Ų95.951%0.50948%0.48SS..Hα-helixtrans-62.8-47.7174.5-77.3176.3-173.900110.7N127 Y133 N134 I135N127-E131 VanDerWaalsContact O-CB 3.29Å; N127-E131 WeakPolarHBondContact O-CB 3.44Å; N127-E131 VanDerWaalsContact O-CG 3.27Å; N127-E131 WeakPolarHBondContact O-CG 3.29Å; N127-E131 PolarHBondContact O-N 3.31Å; E131-Y133 VanDerWaalsContact C-N 3.34Å; E131-Y133 PolarHBondContact O-N 3.44Å; E131-N134 PolarHBondContact O-N 2.86Å; E131-I135 HydrophobicContact CB-CD1 4.48Å; E131-I135 WeakPolarHBondContact O-CB 3.17Å; E131-I135 WeakPolarHBondContact O-CD1 3.38Å; E131-I135 WeakPolarHBondContact O-CG1 3.26Å; E131-I135 PolarHBondContact O-N 2.85Å
132N78.8Confident81Confident87 Ų8796.8 Ų96.847%0.46548%0.479SS..Hα-helixtrans-61.5-42176.7-75.8-34.7000111.8L128 T129 N136L128-N132 WeakPolarHBondContact O-CB 3.29Å; L128-N132 PolarHBondContact O-N 2.9Å; L128-N132 PolarHBondContact O-ND2 2.86Å; T129-N132 PolarHBondContact O-N 2.8Å; N132-N136 WeakPolarHBondContact O-CB 3.17Å; N132-N136 PolarHBondContact O-N 3.45Å; N132-N136 PolarHBondContact O-ND2 3.37Å
133Y72.3Confident80.7Confident144 Ų14497.2 Ų97.257%0.56549%0.488SS*.Hα-helixtrans-61.4-51.4175.9-176.5-99.8000111.2T129 N130 E131 I135 N136 D137T129-Y133 VanDerWaalsContact O-CB 3.29Å; T129-Y133 WeakPolarHBondContact O-CB 3.45Å; T129-Y133 PolarHBondContact O-N 2.91Å; N130-Y133 PolarHBondContact O-N 3.45Å; E131-Y133 VanDerWaalsContact C-N 3.34Å; E131-Y133 PolarHBondContact O-N 3.44Å; Y133-I135 PolarHBondContact O-N 3Å; Y133-N136 PolarHBondContact O-N 3.27Å; Y133-D137 WeakPolarHBondContact CE1-OD2 3.11Å; Y133-D137 VanDerWaalsContact O-CB 3.29Å; Y133-D137 WeakPolarHBondContact O-CB 3.23Å; Y133-D137 PolarHBondContact O-N 2.92Å; Y133-D137 PolarHBondContact OH-OD2 3.34Å
134N77.7Confident80.3Confident100 Ų10097.8 Ų97.854%0.53549%0.491SS..Hα-helixtrans-63.3-42.3178.8-73.1-24.6000112.5N130 E131 V138N130-N134 WeakPolarHBondContact O-CB 3.13Å; N130-N134 VanDerWaalsContact O-CG 3.29Å; N130-N134 PolarHBondContact O-N 2.86Å; N130-N134 PolarHBondContact O-ND2 3.48Å; E131-N134 PolarHBondContact O-N 2.86Å; N134-V138 VanDerWaalsContact O-CB 3.26Å; N134-V138 WeakPolarHBondContact O-CB 3.26Å; N134-V138 WeakPolarHBondContact O-CG2 3.29Å; N134-V138 PolarHBondContact O-N 3.2Å
135I78.5Confident79.8Confident76 Ų7697.7 Ų97.739%0.3949%0.492SS..Hα-helixtrans-64.7-45.9178.1-71.7167.4000110E131 Y133 K139E131-I135 HydrophobicContact CB-CD1 4.48Å; E131-I135 WeakPolarHBondContact O-CB 3.17Å; E131-I135 WeakPolarHBondContact O-CD1 3.38Å; E131-I135 WeakPolarHBondContact O-CG1 3.26Å; E131-I135 PolarHBondContact O-N 2.85Å; Y133-I135 PolarHBondContact O-N 3Å; I135-K139 HydrophobicContact CG2-CD 3.68Å; I135-K139 HydrophobicContact CG2-CG 4.31Å; I135-K139 WeakPolarHBondContact O-CB 3.13Å; I135-K139 WeakPolarHBondContact O-CG 3.41Å; I135-K139 PolarHBondContact O-N 2.77Å
136N76.3Confident79.6Confident89 Ų8997.9 Ų97.948%0.47649%0.49SS..Hα-helixtrans-66.9-44179.2-71.9-20.9000111N132 Y133 K139 V140N132-N136 WeakPolarHBondContact O-CB 3.17Å; N132-N136 PolarHBondContact O-N 3.45Å; N132-N136 PolarHBondContact O-ND2 3.37Å; Y133-N136 PolarHBondContact O-N 3.27Å; N136-K139 PolarHBondContact O-N 3.37Å; N136-V140 VanDerWaalsContact O-CB 3.22Å; N136-V140 WeakPolarHBondContact O-CB 3.22Å; N136-V140 WeakPolarHBondContact O-CG2 3.17Å; N136-V140 PolarHBondContact O-N 2.88Å
137D76Confident79.4Confident53 Ų5396.2 Ų96.228%0.28348%0.483SS..Hα-helixtrans-63.1-45.9177.7-86.12.9000112.2Y133 K141Y133-D137 WeakPolarHBondContact CE1-OD2 3.11Å; Y133-D137 VanDerWaalsContact O-CB 3.29Å; Y133-D137 WeakPolarHBondContact O-CB 3.23Å; Y133-D137 PolarHBondContact O-N 2.92Å; Y133-D137 PolarHBondContact OH-OD2 3.34Å; D137-K141 VanDerWaalsContact O-CB 3.26Å; D137-K141 WeakPolarHBondContact O-CB 3.16Å; D137-K141 VanDerWaalsContact O-CG 3.23Å; D137-K141 WeakPolarHBondContact O-CG 3.37Å; D137-K141 PolarHBondContact O-N 3.46Å
138V79.8Confident78.9Confident98 Ų98100.4 Ų100.459%0.59449%0.492SS*.Hα-helixtrans-66.6-41.9177.8172.50000110.6N134 K142N134-V138 VanDerWaalsContact O-CB 3.26Å; N134-V138 WeakPolarHBondContact O-CB 3.26Å; N134-V138 WeakPolarHBondContact O-CG2 3.29Å; N134-V138 PolarHBondContact O-N 3.2Å; V138-K142 WeakPolarHBondContact O-CB 3.19Å; V138-K142 PolarHBondContact O-N 3.44Å
139K79.7Confident78.3Confident123 Ų123101.7 Ų101.754%0.53550%0.496SS..Hα-helixtrans-63.6-47.8176-78.2174.6178.7172.40111.5I135 N136 K142 I143I135-K139 HydrophobicContact CG2-CD 3.68Å; I135-K139 HydrophobicContact CG2-CG 4.31Å; I135-K139 WeakPolarHBondContact O-CB 3.13Å; I135-K139 WeakPolarHBondContact O-CG 3.41Å; I135-K139 PolarHBondContact O-N 2.77Å; N136-K139 PolarHBondContact O-N 3.37Å; K139-K142 PolarHBondContact O-N 2.84Å; K139-I143 WeakPolarHBondContact O-CB 3.22Å; K139-I143 WeakPolarHBondContact O-CD1 3.39Å; K139-I143 WeakPolarHBondContact O-CG1 3.16Å; K139-I143 PolarHBondContact O-N 2.87Å
140V81.3Confident78.3Confident78 Ų78103.3 Ų103.347%0.47349%0.493SS..Hα-helixtrans-63.7-46.4-179.6169.20000110.3N136 K142 I143 I144N136-V140 VanDerWaalsContact O-CB 3.22Å; N136-V140 WeakPolarHBondContact O-CB 3.22Å; N136-V140 WeakPolarHBondContact O-CG2 3.17Å; N136-V140 PolarHBondContact O-N 2.88Å; V140-K142 PolarHBondContact O-N 3.25Å; V140-I143 PolarHBondContact O-N 2.82Å; V140-I144 HydrophobicContact CG1-CD1 3.74Å; V140-I144 HydrophobicContact CG1-CG1 4.49Å; V140-I144 VanDerWaalsContact O-CG1 3.24Å; V140-I144 WeakPolarHBondContact O-CG1 3.13Å; V140-I144 PolarHBondContact O-N 3.34Å
141K76Confident77.8Confident130 Ų130100.1 Ų100.157%0.56548%0.476SS*.Hα-helixtrans-58.3-47.9174.9-76.5175-177.5173.90111.5D137 I143 I144 E145D137-K141 VanDerWaalsContact O-CB 3.26Å; D137-K141 WeakPolarHBondContact O-CB 3.16Å; D137-K141 VanDerWaalsContact O-CG 3.23Å; D137-K141 WeakPolarHBondContact O-CG 3.37Å; D137-K141 PolarHBondContact O-N 3.46Å; K141-I143 PolarHBondContact O-N 2.82Å; K141-I144 PolarHBondContact O-N 3.27Å; K141-E145 WeakPolarHBondContact O-CB 3.5Å; K141-E145 WeakPolarHBondContact O-CG 3.27Å; K141-E145 PolarHBondContact O-N 3.48Å
142K83.4Confident77.3Confident122 Ų12297.6 Ų97.653%0.5347%0.473SS..Hα-helixtrans-61.8-43.9178.2-175.8174.9179.6-179.40112.3V138 K139 V140 I144 E145 D146V138-K142 WeakPolarHBondContact O-CB 3.19Å; V138-K142 PolarHBondContact O-N 3.44Å; K139-K142 PolarHBondContact O-N 2.84Å; V140-K142 PolarHBondContact O-N 3.25Å; K142-I144 VanDerWaalsContact C-N 3.31Å; K142-I144 PolarHBondContact O-N 2.88Å; K142-E145 PolarHBondContact O-N 2.94Å; K142-D146 VanDerWaalsContact O-CB 3.29Å; K142-D146 WeakPolarHBondContact O-CB 3.29Å; K142-D146 VanDerWaalsContact O-CG 3.27Å; K142-D146 PolarHBondContact O-N 3.38Å
143I80.8Confident77.1Confident110 Ų11099.5 Ų99.556%0.56447%0.474SS*.Hα-helixtrans-60.6-42.8176.4-70.9162.9000110.5K139 V140 K141 E147K139-I143 WeakPolarHBondContact O-CB 3.22Å; K139-I143 WeakPolarHBondContact O-CD1 3.39Å; K139-I143 WeakPolarHBondContact O-CG1 3.16Å; K139-I143 PolarHBondContact O-N 2.87Å; V140-I143 PolarHBondContact O-N 2.82Å; K141-I143 PolarHBondContact O-N 2.82Å; I143-E147 WeakPolarHBondContact O-CB 3.41Å; I143-E147 PolarHBondContact O-N 2.85Å
144I78.8Confident77.3Confident86 Ų8696 Ų9644%0.44146%0.463SS..Hα-helixtrans-65.7-41.3177.4-68166.5000111.2V140 K141 K142 R148V140-I144 HydrophobicContact CG1-CD1 3.74Å; V140-I144 HydrophobicContact CG1-CG1 4.49Å; V140-I144 VanDerWaalsContact O-CG1 3.24Å; V140-I144 WeakPolarHBondContact O-CG1 3.13Å; V140-I144 PolarHBondContact O-N 3.34Å; K141-I144 PolarHBondContact O-N 3.27Å; K142-I144 VanDerWaalsContact C-N 3.31Å; K142-I144 PolarHBondContact O-N 2.88Å; I144-R148 WeakPolarHBondContact O-CB 3.42Å; I144-R148 VanDerWaalsContact O-CG 3.29Å; I144-R148 WeakPolarHBondContact O-CG 3.48Å; I144-R148 PolarHBondContact O-N 3.23Å
145E75.3Confident77.1Confident131 Ų13192.9 Ų92.961%0.61245%0.446SS*.Hα-helixtrans-66.8-48177.3-74.9173.6178.300112K141 K142 E147 R148 Q149K141-E145 WeakPolarHBondContact O-CB 3.5Å; K141-E145 WeakPolarHBondContact O-CG 3.27Å; K141-E145 PolarHBondContact O-N 3.48Å; K142-E145 PolarHBondContact O-N 2.94Å; E145-E147 VanDerWaalsContact C-N 3.31Å; E145-E147 PolarHBondContact O-N 3.33Å; E145-R148 PolarHBondContact O-N 2.92Å; E145-Q149 WeakPolarHBondContact O-CB 3.24Å; E145-Q149 PolarHBondContact O-N 2.82Å
146D80.3Confident76.8Confident79 Ų7994.8 Ų94.842%0.42245%0.453SS..Hα-helixtrans-60.1-42.8177.2-74.3-19.1000110.4K142 Q149 R150K142-D146 VanDerWaalsContact O-CB 3.29Å; K142-D146 WeakPolarHBondContact O-CB 3.29Å; K142-D146 VanDerWaalsContact O-CG 3.27Å; K142-D146 PolarHBondContact O-N 3.38Å; D146-Q149 PolarHBondContact O-N 2.8Å; D146-R150 VanDerWaalsContact O-CB 3.27Å; D146-R150 WeakPolarHBondContact O-CB 3.19Å; D146-R150 PolarHBondContact O-N 3.43Å
147E78.8Confident76.7Confident77 Ų7794.4 Ų94.436%0.3645%0.451SS..Hα-helixtrans-69.4-41.3177.2-172.961.7-171.600111.6I143 E145 Q149 R150 L151I143-E147 WeakPolarHBondContact O-CB 3.41Å; I143-E147 PolarHBondContact O-N 2.85Å; E145-E147 VanDerWaalsContact C-N 3.31Å; E145-E147 PolarHBondContact O-N 3.33Å; E147-Q149 VanDerWaalsContact C-N 3.31Å; E147-Q149 PolarHBondContact O-N 2.98Å; E147-R150 PolarHBondContact O-N 3.47Å; E147-R150 IonicContact OE1-NH1 2.56Å; E147-R150 PolarHBondContact OE1-NH1 2.88Å; E147-R150 IonicContact OE2-NH1 3.94Å; E147-R150 PolarHBondContact OE2-NH1 2.87Å; E147-R150 VanDerWaalsContact OE2-NH1 3.13Å; E147-L151 HydrophobicContact CG-CD1 3.81Å; E147-L151 HydrophobicContact CG-CG 4.35Å; E147-L151 VanDerWaalsContact O-CB 3.31Å; E147-L151 WeakPolarHBondContact O-CB 3.24Å; E147-L151 WeakPolarHBondContact O-CD1 3.33Å; E147-L151 WeakPolarHBondContact O-CG 3.29Å; E147-L151 PolarHBondContact O-N 3.41Å
148R76.4Confident76.6Confident173 Ų17392.3 Ų92.365%0.65344%0.441SS*.Hα-helixtrans-59.8-41.8172.1-82.1179.7175.4-167.20.6111.9I144 E145 A152I144-R148 WeakPolarHBondContact O-CB 3.42Å; I144-R148 VanDerWaalsContact O-CG 3.29Å; I144-R148 WeakPolarHBondContact O-CG 3.48Å; I144-R148 PolarHBondContact O-N 3.23Å; E145-R148 PolarHBondContact O-N 2.92Å; R148-A152 VanDerWaalsContact O-CB 3.24Å; R148-A152 WeakPolarHBondContact O-CB 3.48Å; R148-A152 PolarHBondContact O-N 3.19Å
149Q71.2Confident76.2Confident106 Ų10688.9 Ų88.950%0.49542%0.42SS..Hα-helixtrans-71.2-39.8179.8-165.4-178.91300111.5E145 D146 E147 A152 R153E145-Q149 WeakPolarHBondContact O-CB 3.24Å; E145-Q149 PolarHBondContact O-N 2.82Å; D146-Q149 PolarHBondContact O-N 2.8Å; E147-Q149 VanDerWaalsContact C-N 3.31Å; E147-Q149 PolarHBondContact O-N 2.98Å; Q149-A152 PolarHBondContact O-N 3.29Å; Q149-R153 WeakPolarHBondContact O-CG 2.92Å; Q149-R153 PolarHBondContact O-N 3.13Å
150R79.8Confident75.6Confident116 Ų11685.3 Ų85.344%0.43841%0.41SS..Hα-helixtrans-59.6-49.7171.8179-179.6160.4-123.6-9.9110.9D146 E147 A152 R153 E154D146-R150 VanDerWaalsContact O-CB 3.27Å; D146-R150 WeakPolarHBondContact O-CB 3.19Å; D146-R150 PolarHBondContact O-N 3.43Å; E147-R150 PolarHBondContact O-N 3.47Å; E147-R150 IonicContact OE1-NH1 2.56Å; E147-R150 PolarHBondContact OE1-NH1 2.88Å; E147-R150 IonicContact OE2-NH1 3.94Å; E147-R150 PolarHBondContact OE2-NH1 2.87Å; E147-R150 VanDerWaalsContact OE2-NH1 3.13Å; R150-A152 PolarHBondContact O-N 2.82Å; R150-R153 WeakPolarHBondContact O-CB 3.17Å; R150-R153 PolarHBondContact O-N 2.95Å; R150-E154 IonicContact CZ-OE1 3.11Å; R150-E154 VanDerWaalsContact CZ-OE1 3.26Å; R150-E154 IonicContact NE-OE1 3.29Å; R150-E154 PolarHBondContact NE-OE1 2.83Å; R150-E154 IonicContact NH2-OE1 3.92Å; R150-E154 PolarHBondContact NH2-OE1 3.37Å; R150-E154 IonicContact NH2-OE2 2.75Å; R150-E154 PolarHBondContact O-N 3.48Å
151L71.6Confident75.2Confident16 Ų1688.1 Ų88.18%0.08442%0.418CS..Hα-helixtrans-65.5-37.5179-68.4167.2000112.3E147 R153 E154 L155 L207E147-L151 HydrophobicContact CG-CD1 3.81Å; E147-L151 HydrophobicContact CG-CG 4.35Å; E147-L151 VanDerWaalsContact O-CB 3.31Å; E147-L151 WeakPolarHBondContact O-CB 3.24Å; E147-L151 WeakPolarHBondContact O-CD1 3.33Å; E147-L151 WeakPolarHBondContact O-CG 3.29Å; E147-L151 PolarHBondContact O-N 3.41Å; L151-R153 VanDerWaalsContact C-N 3.33Å; L151-E154 PolarHBondContact O-N 3.06Å; L151-L155 VanDerWaalsContact O-CB 3.32Å; L151-L155 WeakPolarHBondContact O-CB 3.47Å; L151-L155 WeakPolarHBondContact O-CG 3.15Å; L151-L155 PolarHBondContact O-N 2.85Å; L151-L207 HydrophobicContact CB-CD1 4.29Å; L151-L207 HydrophobicContact CB-CD2 3.57Å; L151-L207 HydrophobicContact CB-CG 3.98Å; L151-L207 HydrophobicContact CD1-CD2 3.36Å; L151-L207 HydrophobicContact CD1-CG 3.84Å; L151-L207 HydrophobicContact CD2-CG 4.31Å; L151-L207 HydrophobicContact CG-CD2 4Å; L151-L207 HydrophobicContact CG-CG 4.26Å
152A70.7Confident75Confident56 Ų5683 Ų8346%0.46340%0.396SS..Hα-helixtrans-63.4-38.6173.500000112R148 Q149 R150 H156R148-A152 VanDerWaalsContact O-CB 3.24Å; R148-A152 WeakPolarHBondContact O-CB 3.48Å; R148-A152 PolarHBondContact O-N 3.19Å; Q149-A152 PolarHBondContact O-N 3.29Å; R150-A152 PolarHBondContact O-N 2.82Å; A152-H156 WeakPolarHBondContact O-CB 3.14Å; A152-H156 PolarHBondContact O-N 3.14Å
153R74.4Confident74.5Confident127 Ų12782.7 Ų82.748%0.47940%0.4SS..Hα-helixtrans-66.8-49.3173.1-77-176.7-69.9-126.1-4.3111.9Q149 R150 L151 L155 H156 D157Q149-R153 WeakPolarHBondContact O-CG 2.92Å; Q149-R153 PolarHBondContact O-N 3.13Å; R150-R153 WeakPolarHBondContact O-CB 3.17Å; R150-R153 PolarHBondContact O-N 2.95Å; L151-R153 VanDerWaalsContact C-N 3.33Å; R153-L155 VanDerWaalsContact C-N 3.31Å; R153-L155 PolarHBondContact O-N 3.43Å; R153-H156 PolarHBondContact O-N 2.86Å; R153-H156 VanDerWaalsContact O-N 3.14Å; R153-D157 WeakPolarHBondContact O-CB 3.31Å; R153-D157 VanDerWaalsContact O-CG 3.28Å; R153-D157 PolarHBondContact O-N 3.38Å
154E76.3Confident74.1Confident69 Ų6983.6 Ų83.632%0.32240%0.4SS..Hα-helixtrans-59-42.9178-73.7-179.9-170.600111.4R150 L151 S158 L203R150-E154 IonicContact CZ-OE1 3.11Å; R150-E154 VanDerWaalsContact CZ-OE1 3.26Å; R150-E154 IonicContact NE-OE1 3.29Å; R150-E154 PolarHBondContact NE-OE1 2.83Å; R150-E154 IonicContact NH2-OE1 3.92Å; R150-E154 PolarHBondContact NH2-OE1 3.37Å; R150-E154 IonicContact NH2-OE2 2.75Å; R150-E154 PolarHBondContact O-N 3.48Å; L151-E154 PolarHBondContact O-N 3.06Å; E154-S158 WeakPolarHBondContact O-CB 2.96Å; E154-S158 PolarHBondContact O-N 2.67Å; E154-L203 HydrophobicContact CB-CD2 4.37Å
155L73.6Confident73.9Confident36 Ų3681 Ų8119%0.18839%0.391CS..Hα-helixtrans-61.9-50.5171.6-84.2177.7000112.1L151 R153 D157 V159 M200 L203 L204 L207L151-L155 VanDerWaalsContact O-CB 3.32Å; L151-L155 WeakPolarHBondContact O-CB 3.47Å; L151-L155 WeakPolarHBondContact O-CG 3.15Å; L151-L155 PolarHBondContact O-N 2.85Å; R153-L155 VanDerWaalsContact C-N 3.31Å; R153-L155 PolarHBondContact O-N 3.43Å; L155-D157 VanDerWaalsContact C-N 3.33Å; L155-D157 PolarHBondContact O-N 2.87Å; L155-V159 WeakPolarHBondContact O-CB 3.01Å; L155-V159 WeakPolarHBondContact O-CG2 3.48Å; L155-V159 PolarHBondContact O-N 2.82Å; L155-M200 HydrophobicContact CD2-CG 4.29Å; L155-L203 HydrophobicContact CD2-CB 3.6Å; L155-L203 HydrophobicContact CD2-CD1 3.96Å; L155-L203 HydrophobicContact CD2-CG 4.38Å; L155-L203 HydrophobicContact CG-CB 4.35Å; L155-L204 HydrophobicContact CD1-CD2 4.48Å; L155-L207 HydrophobicContact CD1-CD1 3.21Å; L155-L207 HydrophobicContact CD2-CD1 4.48Å; L155-L207 HydrophobicContact CG-CD1 3.89Å
156H72.2Confident73.8Confident116 Ų11675.1 Ų75.154%0.53737%0.365SS..Hα-helixtrans-58.9-45.8-178.3175.5-83.8000111.2A152 R153 S160A152-H156 WeakPolarHBondContact O-CB 3.14Å; A152-H156 PolarHBondContact O-N 3.14Å; R153-H156 PolarHBondContact O-N 2.86Å; R153-H156 VanDerWaalsContact O-N 3.14Å; H156-S160 WeakPolarHBondContact O-CA 3.32Å; H156-S160 WeakPolarHBondContact O-CB 3.18Å; H156-S160 PolarHBondContact O-N 2.93Å; H156-S160 PolarHBondContact O-OG 3.31Å
157D73.8Confident73.2Confident80 Ų8073.8 Ų73.843%0.42836%0.362SS..Hα-helixtrans-70.8-46.3-176.4-66.5-15.6000111.2R153 L155 Q161R153-D157 WeakPolarHBondContact O-CB 3.31Å; R153-D157 VanDerWaalsContact O-CG 3.28Å; R153-D157 PolarHBondContact O-N 3.38Å; L155-D157 VanDerWaalsContact C-N 3.33Å; L155-D157 PolarHBondContact O-N 2.87Å; D157-Q161 VanDerWaalsContact O-CB 3.27Å; D157-Q161 WeakPolarHBondContact O-CB 3.21Å; D157-Q161 WeakPolarHBondContact O-CG 3.47Å; D157-Q161 PolarHBondContact O-N 2.76Å
158S73.6Confident72.9Confident10 Ų1075 Ų757%0.0737%0.369CS..Hα-helixtrans-59.2-52.8176.5178.20000111.1E154 Q162 E199E154-S158 WeakPolarHBondContact O-CB 2.96Å; E154-S158 PolarHBondContact O-N 2.67Å; S158-Q162 VanDerWaalsContact O-CB 3.29Å; S158-Q162 WeakPolarHBondContact O-CB 3.14Å; S158-Q162 VanDerWaalsContact O-CD 3.22Å; S158-Q162 WeakPolarHBondContact O-CG 3.3Å; S158-Q162 PolarHBondContact O-N 3.09Å; S158-Q162 PolarHBondContact O-OE1 3.37Å; S158-E199 PolarHBondContact OG-OE1 3.01Å
159V71.7Confident72.8Confident26 Ų2668.9 Ų68.916%0.15835%0.349CS..Hα-helixtrans-68.6-40.5-177.2176.80000111.8L155 Q162 L163 M200L155-V159 WeakPolarHBondContact O-CB 3.01Å; L155-V159 WeakPolarHBondContact O-CG2 3.48Å; L155-V159 PolarHBondContact O-N 2.82Å; V159-Q162 PolarHBondContact O-N 3.03Å; V159-L163 HydrophobicContact CG1-CD1 3.69Å; V159-L163 HydrophobicContact CG1-CG 4.13Å; V159-L163 WeakPolarHBondContact O-CB 3.38Å; V159-L163 VanDerWaalsContact O-CG 3.26Å; V159-L163 WeakPolarHBondContact O-CG 3.42Å; V159-L163 PolarHBondContact O-N 3.42Å; V159-M200 HydrophobicContact CB-CE 4.18Å; V159-M200 HydrophobicContact CG1-CE 3.66Å; V159-M200 HydrophobicContact CG2-CB 4.28Å; V159-M200 HydrophobicContact CG2-CE 3.39Å; V159-M200 HydrophobicContact CG2-CG 3.98Å; V159-M200 HydrophobicContact CG2-SD 4.44Å
160S67.8Low72.9Confident48 Ų4868.4 Ų68.434%0.33635%0.349SS..Hα-helixtrans-70.1-42-178.8-60.20000112.1H156 Q162 F164H156-S160 WeakPolarHBondContact O-CA 3.32Å; H156-S160 WeakPolarHBondContact O-CB 3.18Å; H156-S160 PolarHBondContact O-N 2.93Å; H156-S160 PolarHBondContact O-OG 3.31Å; S160-Q162 VanDerWaalsContact C-N 3.27Å; S160-Q162 PolarHBondContact O-N 3.45Å; S160-F164 WeakPolarHBondContact O-CB 3.3Å; S160-F164 PolarHBondContact O-N 3.48Å
161Q73.7Confident72.5Confident137 Ų13765.9 Ų65.964%0.6435%0.349SS*.Hα-helixtrans-61.2-41.3176.5-73.2174.721.300111.1D157 A165D157-Q161 VanDerWaalsContact O-CB 3.27Å; D157-Q161 WeakPolarHBondContact O-CB 3.21Å; D157-Q161 WeakPolarHBondContact O-CG 3.47Å; D157-Q161 PolarHBondContact O-N 2.76Å; Q161-A165 WeakPolarHBondContact O-CB 3.4Å; Q161-A165 PolarHBondContact O-N 2.88Å
162Q71.7Confident72.5Confident22 Ų2267.4 Ų67.410%0.10336%0.364CS..Hα-helixtrans-67.9-49.4178.5-77.8170.4-4.100113.2S158 V159 S160 F164 A165 A166 S196 E199S158-Q162 VanDerWaalsContact O-CB 3.29Å; S158-Q162 WeakPolarHBondContact O-CB 3.14Å; S158-Q162 VanDerWaalsContact O-CD 3.22Å; S158-Q162 WeakPolarHBondContact O-CG 3.3Å; S158-Q162 PolarHBondContact O-N 3.09Å; S158-Q162 PolarHBondContact O-OE1 3.37Å; V159-Q162 PolarHBondContact O-N 3.03Å; S160-Q162 VanDerWaalsContact C-N 3.27Å; S160-Q162 PolarHBondContact O-N 3.45Å; Q162-F164 VanDerWaalsContact C-N 3.3Å; Q162-F164 PolarHBondContact O-N 3.46Å; Q162-A165 PolarHBondContact O-N 3.38Å; Q162-A166 WeakPolarHBondContact O-CB 3.35Å; Q162-A166 PolarHBondContact O-N 2.86Å; Q162-S196 WeakPolarHBondContact CB-OG 3.27Å; Q162-S196 VanDerWaalsContact CD-OG 3.22Å; Q162-S196 WeakPolarHBondContact CG-OG 3.39Å; Q162-S196 PolarHBondContact OE1-O 3.5Å; Q162-S196 PolarHBondContact OE1-OG 3.26Å; Q162-E199 VanDerWaalsContact NE2-CD 3.35Å; Q162-E199 PolarHBondContact NE2-OE2 2.97Å
163L72.1Confident72.5Confident115 Ų11565.9 Ų65.960%0.60235%0.348SS*.Hα-helixtrans-63.6-37176-72177.6000111.7V159 A166 S167V159-L163 HydrophobicContact CG1-CD1 3.69Å; V159-L163 HydrophobicContact CG1-CG 4.13Å; V159-L163 WeakPolarHBondContact O-CB 3.38Å; V159-L163 VanDerWaalsContact O-CG 3.26Å; V159-L163 WeakPolarHBondContact O-CG 3.42Å; V159-L163 PolarHBondContact O-N 3.42Å; L163-A166 PolarHBondContact O-N 2.93Å; L163-S167 WeakPolarHBondContact O-CB 3.34Å; L163-S167 PolarHBondContact O-N 2.98Å; L163-S167 PolarHBondContact O-OG 3.27Å
164F72.4Confident72.2Confident129 Ų12968.2 Ų68.257%0.56636%0.361SS*.Hα-helixtrans-60.7-50.5174.6176.3-102.6000111S160 Q162 A166 S167 M168S160-F164 WeakPolarHBondContact O-CB 3.3Å; S160-F164 PolarHBondContact O-N 3.48Å; Q162-F164 VanDerWaalsContact C-N 3.3Å; Q162-F164 PolarHBondContact O-N 3.46Å; F164-A166 PolarHBondContact O-N 3.47Å; F164-S167 PolarHBondContact O-N 3.12Å; F164-S167 VanDerWaalsContact O-N 3.13Å; F164-S167 PolarHBondContact O-OG 2.97Å; F164-M168 HydrophobicContact CD1-CG 4.3Å; F164-M168 HydrophobicContact CE1-CG 3.82Å; F164-M168 HydrophobicContact CE2-CG 4.09Å; F164-M168 HydrophobicContact CE2-SD 4.37Å; F164-M168 HydrophobicContact CZ-CG 3.71Å; F164-M168 HydrophobicContact CZ-SD 4.06Å; F164-M168 WeakPolarHBondContact O-CG 3.34Å; F164-M168 PolarHBondContact O-N 3.34Å
165A75.3Confident71.9Confident31 Ų3172.4 Ų72.426%0.25638%0.381SS..Hα-helixtrans-64.9-38178.700000112.8Q161 Q162 S167 M168 M169 M192Q161-A165 WeakPolarHBondContact O-CB 3.4Å; Q161-A165 PolarHBondContact O-N 2.88Å; Q162-A165 PolarHBondContact O-N 3.38Å; A165-S167 VanDerWaalsContact C-N 3.34Å; A165-S167 PolarHBondContact O-N 3.02Å; A165-M168 PolarHBondContact O-N 3.08Å; A165-M169 WeakPolarHBondContact O-CB 3.26Å; A165-M169 PolarHBondContact O-N 3.23Å; A165-M192 HydrophobicContact CB-CE 3.13Å; A165-M192 HydrophobicContact CB-SD 3.61Å
166A73.4Confident71.3Confident8 Ų873.2 Ų73.27%0.06639%0.388CS..Hα-helixtrans-60.3-42.4170.900000111.9Q162 L163 F164 M169 L170 L189 V193Q162-A166 WeakPolarHBondContact O-CB 3.35Å; Q162-A166 PolarHBondContact O-N 2.86Å; L163-A166 PolarHBondContact O-N 2.93Å; F164-A166 PolarHBondContact O-N 3.47Å; A166-M169 PolarHBondContact O-N 3.47Å; A166-L170 WeakPolarHBondContact O-CB 3.45Å; A166-L170 WeakPolarHBondContact O-CG 3.48Å; A166-L170 PolarHBondContact O-N 3.29Å; A166-L189 HydrophobicContact CB-CD1 3.76Å; A166-L189 WeakPolarHBondContact O-CD1 3.11Å; A166-V193 HydrophobicContact CB-CG2 4.16Å
167S67.4Low70.8Confident52 Ų5276.8 Ų76.836%0.36440%0.402SS..Hα-helixtrans-67.5-37.5177.7790000113.1L163 F164 A165 S171L163-S167 WeakPolarHBondContact O-CB 3.34Å; L163-S167 PolarHBondContact O-N 2.98Å; L163-S167 PolarHBondContact O-OG 3.27Å; F164-S167 PolarHBondContact O-N 3.12Å; F164-S167 VanDerWaalsContact O-N 3.13Å; F164-S167 PolarHBondContact O-OG 2.97Å; A165-S167 VanDerWaalsContact C-N 3.34Å; A165-S167 PolarHBondContact O-N 3.02Å; S167-S171 WeakPolarHBondContact O-CB 3.48Å; S167-S171 PolarHBondContact O-N 3.39Å; S167-S171 PolarHBondContact O-OG 3.5Å
168M72.9Confident70.1Confident103 Ų10380.3 Ų80.351%0.50742%0.42SS..Hα-helixtrans-65.2-43.7175-78.7-61.5-54.400110.9F164 A165 S171 A172F164-M168 HydrophobicContact CD1-CG 4.3Å; F164-M168 HydrophobicContact CE1-CG 3.82Å; F164-M168 HydrophobicContact CE2-CG 4.09Å; F164-M168 HydrophobicContact CE2-SD 4.37Å; F164-M168 HydrophobicContact CZ-CG 3.71Å; F164-M168 HydrophobicContact CZ-SD 4.06Å; F164-M168 WeakPolarHBondContact O-CG 3.34Å; F164-M168 PolarHBondContact O-N 3.34Å; A165-M168 PolarHBondContact O-N 3.08Å; M168-S171 WeakPolarHBondContact O-CB 3.49Å; M168-S171 PolarHBondContact O-N 2.79Å; M168-A172 PolarHBondContact O-N 2.95Å
169M73.4Confident69.3Low44 Ų4487.5 Ų87.522%0.21745%0.452CS..Hα-helixtrans-67.3-41.1177.6-173.8161.5-155.900112.1A165 A166 S171 A172 I173 Q185 I188 L189A165-M169 WeakPolarHBondContact O-CB 3.26Å; A165-M169 PolarHBondContact O-N 3.23Å; A166-M169 PolarHBondContact O-N 3.47Å; M169-S171 VanDerWaalsContact C-N 3.31Å; M169-S171 PolarHBondContact O-N 3.29Å; M169-A172 PolarHBondContact O-N 3.33Å; M169-I173 HydrophobicContact CG-CD1 4.25Å; M169-I173 WeakPolarHBondContact O-CD1 3.16Å; M169-I173 VanDerWaalsContact O-CG1 3.27Å; M169-I173 WeakPolarHBondContact O-CG1 3.26Å; M169-I173 PolarHBondContact O-N 2.69Å; M169-Q185 HydrophobicContact CE-CB 4.46Å; M169-Q185 WeakPolarHBondContact CE-O 3.29Å; M169-I188 HydrophobicContact CE-CB 3.53Å; M169-I188 HydrophobicContact CE-CD1 4.22Å; M169-I188 HydrophobicContact CE-CG1 4.47Å; M169-I188 HydrophobicContact CE-CG2 3.5Å; M169-I188 HydrophobicContact SD-CB 4.24Å; M169-I188 HydrophobicContact SD-CG2 3.86Å; M169-L189 HydrophobicContact CB-CD1 4.16Å; M169-L189 HydrophobicContact CG-CB 4.24Å; M169-L189 HydrophobicContact CG-CD1 4.37Å; M169-L189 HydrophobicContact SD-CB 3.93Å
170L73.4Confident68.7Low95 Ų9589.4 Ų89.450%0.49747%0.465SS..Hα-helixtrans-59-40.7170.4-80.9168.3000112.6A166 I173 K174 L189A166-L170 WeakPolarHBondContact O-CB 3.45Å; A166-L170 WeakPolarHBondContact O-CG 3.48Å; A166-L170 PolarHBondContact O-N 3.29Å; L170-I173 PolarHBondContact O-N 3.5Å; L170-K174 WeakPolarHBondContact O-CB 3.43Å; L170-K174 PolarHBondContact O-N 2.88Å; L170-L189 HydrophobicContact CD1-CD2 4.29Å; L170-L189 HydrophobicContact CD2-CD2 3.33Å; L170-L189 HydrophobicContact CG-CD1 4.31Å; L170-L189 HydrophobicContact CG-CD2 3.47Å; L170-L189 VanDerWaalsContact CG-CD2 3.47Å
171S70.7Confident68.5Low63 Ų6390.2 Ų90.244%0.44147%0.469SS..Hα-helixtrans-66.5-41.3176.9-58.60000111.3S167 M168 M169 K174 E175S167-S171 WeakPolarHBondContact O-CB 3.48Å; S167-S171 PolarHBondContact O-N 3.39Å; S167-S171 PolarHBondContact O-OG 3.5Å; M168-S171 WeakPolarHBondContact O-CB 3.49Å; M168-S171 PolarHBondContact O-N 2.79Å; M169-S171 VanDerWaalsContact C-N 3.31Å; M169-S171 PolarHBondContact O-N 3.29Å; S171-K174 PolarHBondContact O-N 3.45Å; S171-E175 WeakPolarHBondContact O-CG 3.4Å; S171-E175 PolarHBondContact O-N 3.31Å
172A71.6Confident68.3Low49 Ų4988.2 Ų88.241%0.40546%0.462SS..Hα-helixtrans-62.2-42.7174.400000112M168 M169 K174 E175 T176M168-A172 PolarHBondContact O-N 2.95Å; M169-A172 PolarHBondContact O-N 3.33Å; A172-K174 VanDerWaalsContact C-N 3.3Å; A172-K174 PolarHBondContact O-N 3.13Å; A172-E175 PolarHBondContact O-N 3.45Å; A172-T176 WeakPolarHBondContact O-CB 3.46Å; A172-T176 PolarHBondContact O-N 3.44Å; A172-T176 PolarHBondContact O-OG1 2.85Å
173I71.1Confident68.2Low24 Ų2493.4 Ų93.412%0.12349%0.491CS..Hα-helixtrans-58.7-41.8173.4-69.7159.6000110.9M169 L170 L182 Q185 L189M169-I173 HydrophobicContact CG-CD1 4.25Å; M169-I173 WeakPolarHBondContact O-CD1 3.16Å; M169-I173 VanDerWaalsContact O-CG1 3.27Å; M169-I173 WeakPolarHBondContact O-CG1 3.26Å; M169-I173 PolarHBondContact O-N 2.69Å; L170-I173 PolarHBondContact O-N 3.5Å; I173-L182 HydrophobicContact CG2-CD1 3.57Å; I173-L182 HydrophobicContact CG2-CG 4.35Å; I173-Q185 HydrophobicContact CD1-CB 4.01Å; I173-Q185 HydrophobicContact CG1-CB 3.68Å; I173-Q185 HydrophobicContact CG1-CG 4.45Å; I173-L189 HydrophobicContact CD1-CD2 4.07Å
174K68.9Low68.2Low175 Ų17593.5 Ų93.576%0.76149%0.488SS*.Hα-helixtrans-69.3-39.5-179.2-173.9-176.7175.3-1720113.2L170 S171 A172L170-K174 WeakPolarHBondContact O-CB 3.43Å; L170-K174 PolarHBondContact O-N 2.88Å; S171-K174 PolarHBondContact O-N 3.45Å; A172-K174 VanDerWaalsContact C-N 3.3Å; A172-K174 PolarHBondContact O-N 3.13Å
175E69.1Low68.2Low158 Ų15888.5 Ų88.574%0.73847%0.466SS*.Hα-helixtrans-78.7-27.9-179.3-71.5-66.6144.600112.5S171 A172 K177S171-E175 WeakPolarHBondContact O-CG 3.4Å; S171-E175 PolarHBondContact O-N 3.31Å; A172-E175 PolarHBondContact O-N 3.45Å; E175-K177 PolarHBondContact O-N 2.85Å; E175-K177 VanDerWaalsContact O-N 3.07Å
176T61.3Low68.2Low53 Ų5390 Ų9033%0.32547%0.47SS..  trans-80.893.8-178.5-48.50000110.7A172 L178 E179A172-T176 WeakPolarHBondContact O-CB 3.46Å; A172-T176 PolarHBondContact O-N 3.44Å; A172-T176 PolarHBondContact O-OG1 2.85Å; T176-L178 PolarHBondContact O-N 3.44Å; T176-E179 WeakPolarHBondContact CG2-O 3.14Å
177K62.4Low68.3Low191 Ų19192.8 Ų92.883%0.8349%0.487SS*.SBendtrans-73.9100157.1-80-175.8-179.7177.90108.1E175E175-K177 PolarHBondContact O-N 2.85Å; E175-K177 VanDerWaalsContact O-N 3.07Å
178L59.1Low68.8Low154 Ų15495 Ų9581%0.80649%0.494SS*.SBendtrans73.8119.4173.7-60.195.4000115.5T176T176-L178 PolarHBondContact O-N 3.44Å
179E56.8Low69Low160 Ų16091 Ų9175%0.74847%0.474SS*.SBendtrans86.8121.2163.1-65.1-174.5162.300119.8T176T176-E179 WeakPolarHBondContact CG2-O 3.14Å
180P57.4Low69Low66 Ų6694.1 Ų94.143%0.42949%0.488SS..SBendcis-67.1158.1-5.520.7-25.6000112.2Q184 Q185P180-Q184 HydrophobicContact CB-CB 4.46Å; P180-Q185 HydrophobicContact CG-CG 4.33Å; P180-Q185 PolarHBondContact O-NE2 3.5Å
181P65Low69.3Low65 Ų6595.8 Ų95.842%0.42249%0.492SS..  trans-51.3145.6-177.2-24.932.8000111.8D183 Q184P181-D183 PolarHBondContact O-N 2.88Å; P181-Q184 PolarHBondContact O-N 2.88Å
182L68.4Low69.6Low95 Ų9595.9 Ų95.950%0.49749%0.486SS..Hα-helixtrans-46.5-36.5176.5-143.979.9000111.8I173 Q184 Q185 I186I173-L182 HydrophobicContact CG2-CD1 3.57Å; I173-L182 HydrophobicContact CG2-CG 4.35Å; L182-Q184 PolarHBondContact O-N 3.42Å; L182-Q185 PolarHBondContact O-N 2.99Å; L182-I186 HydrophobicContact CD2-CD1 3.97Å; L182-I186 HydrophobicContact CG-CD1 3.96Å; L182-I186 HydrophobicContact CG-CG1 4.48Å; L182-I186 WeakPolarHBondContact O-CG1 3.45Å; L182-I186 PolarHBondContact O-N 3.48Å
183D70.5Confident69.8Low132 Ų13296.2 Ų96.271%0.70648%0.482SS*.Hα-helixtrans-61.1-21.8178.8-56.1-26000114.4P181 P187P181-D183 PolarHBondContact O-N 2.88Å; D183-P187 WeakPolarHBondContact O-CD 3.14Å; D183-P187 WeakPolarHBondContact O-CG 3.14Å
184Q72.7Confident70Confident116 Ų11699.4 Ų99.454%0.54250%0.497SS..Hα-helixtrans-93.2-30.6175.7-66-176.2-4.400112.6P180 P181 L182 I188P180-Q184 HydrophobicContact CB-CB 4.46Å; P181-Q184 PolarHBondContact O-N 2.88Å; L182-Q184 PolarHBondContact O-N 3.42Å; Q184-I188 WeakPolarHBondContact O-CD1 3.27Å; Q184-I188 WeakPolarHBondContact O-CG1 3.38Å
185Q70.5Confident70.5Confident24 Ų2495 Ų9511%0.11248%0.481CS..Hα-helixtrans-80.8-38.2-177-61.8-174.72.300112M169 I173 P180 L182 I188 L189M169-Q185 HydrophobicContact CE-CB 4.46Å; M169-Q185 WeakPolarHBondContact CE-O 3.29Å; I173-Q185 HydrophobicContact CD1-CB 4.01Å; I173-Q185 HydrophobicContact CG1-CB 3.68Å; I173-Q185 HydrophobicContact CG1-CG 4.45Å; P180-Q185 HydrophobicContact CG-CG 4.33Å; P180-Q185 PolarHBondContact O-NE2 3.5Å; L182-Q185 PolarHBondContact O-N 2.99Å; Q185-I188 PolarHBondContact O-N 3.28Å; Q185-L189 PolarHBondContact O-N 3.3Å; Q185-L189 VanDerWaalsContact O-N 3.16Å
186I75.7Confident70.8Confident64 Ų6488.1 Ų88.133%0.32845%0.451SS..Hα-helixtrans-59.3-48.3179.3-68.8169.6000112.2L182 I188 L189 E190L182-I186 HydrophobicContact CD2-CD1 3.97Å; L182-I186 HydrophobicContact CG-CD1 3.96Å; L182-I186 HydrophobicContact CG-CG1 4.48Å; L182-I186 WeakPolarHBondContact O-CG1 3.45Å; L182-I186 PolarHBondContact O-N 3.48Å; I186-I188 VanDerWaalsContact C-N 3.28Å; I186-I188 PolarHBondContact O-N 3.28Å; I186-L189 WeakPolarHBondContact O-CB 3.47Å; I186-L189 PolarHBondContact O-N 2.9Å; I186-L189 VanDerWaalsContact O-N 3.15Å; I186-E190 HydrophobicContact CG2-CG 4.09Å; I186-E190 WeakPolarHBondContact O-CG 3.4Å; I186-E190 PolarHBondContact O-N 3.48Å
187P75.4Confident71.4Confident65 Ų6590.7 Ų90.742%0.42246%0.459SS..Hα-helixtrans-62.1-32.9-179.9-26.135.7000114D183 K191D183-P187 WeakPolarHBondContact O-CD 3.14Å; D183-P187 WeakPolarHBondContact O-CG 3.14Å; P187-K191 VanDerWaalsContact O-CB 3.31Å; P187-K191 WeakPolarHBondContact O-CB 3.45Å; P187-K191 PolarHBondContact O-N 3.29Å
188I77.8Confident72.1Confident100 Ų10083 Ų8351%0.51343%0.427SS..Hα-helixtrans-68.4-43.9177-60.3168.3000109.8M169 Q184 Q185 I186 K191 M192M169-I188 HydrophobicContact CE-CB 3.53Å; M169-I188 HydrophobicContact CE-CD1 4.22Å; M169-I188 HydrophobicContact CE-CG1 4.47Å; M169-I188 HydrophobicContact CE-CG2 3.5Å; M169-I188 HydrophobicContact SD-CB 4.24Å; M169-I188 HydrophobicContact SD-CG2 3.86Å; Q184-I188 WeakPolarHBondContact O-CD1 3.27Å; Q184-I188 WeakPolarHBondContact O-CG1 3.38Å; Q185-I188 PolarHBondContact O-N 3.28Å; I186-I188 VanDerWaalsContact C-N 3.28Å; I186-I188 PolarHBondContact O-N 3.28Å; I188-K191 PolarHBondContact O-N 3.2Å; I188-M192 WeakPolarHBondContact O-CB 3.21Å; I188-M192 PolarHBondContact O-N 3.35Å
189L77.2Confident73.1Confident18 Ų1879.4 Ų79.49%0.09441%0.406CS..Hα-helixtrans-63-45.7175175.266.4000111.6A166 M169 L170 I173 Q185 I186 K191 M192 V193A166-L189 HydrophobicContact CB-CD1 3.76Å; A166-L189 WeakPolarHBondContact O-CD1 3.11Å; M169-L189 HydrophobicContact CB-CD1 4.16Å; M169-L189 HydrophobicContact CG-CB 4.24Å; M169-L189 HydrophobicContact CG-CD1 4.37Å; M169-L189 HydrophobicContact SD-CB 3.93Å; L170-L189 HydrophobicContact CD1-CD2 4.29Å; L170-L189 HydrophobicContact CD2-CD2 3.33Å; L170-L189 HydrophobicContact CG-CD1 4.31Å; L170-L189 HydrophobicContact CG-CD2 3.47Å; L170-L189 VanDerWaalsContact CG-CD2 3.47Å; I173-L189 HydrophobicContact CD1-CD2 4.07Å; Q185-L189 PolarHBondContact O-N 3.3Å; Q185-L189 VanDerWaalsContact O-N 3.16Å; I186-L189 WeakPolarHBondContact O-CB 3.47Å; I186-L189 PolarHBondContact O-N 2.9Å; I186-L189 VanDerWaalsContact O-N 3.15Å; L189-K191 VanDerWaalsContact C-N 3.32Å; L189-K191 PolarHBondContact O-N 3.06Å; L189-M192 PolarHBondContact O-N 3.07Å; L189-V193 HydrophobicContact CD1-CG2 4.38Å; L189-V193 WeakPolarHBondContact O-CG2 3.45Å; L189-V193 PolarHBondContact O-N 2.88Å
190E74.8Confident74.1Confident109 Ų10974.9 Ų74.951%0.50939%0.386SS..Hα-helixtrans-57.8-46176.4-75.5-178.4154.200111.2I186 M192 V193 Q194I186-E190 HydrophobicContact CG2-CG 4.09Å; I186-E190 WeakPolarHBondContact O-CG 3.4Å; I186-E190 PolarHBondContact O-N 3.48Å; E190-M192 PolarHBondContact O-N 3.36Å; E190-V193 PolarHBondContact O-N 3.37Å; E190-Q194 WeakPolarHBondContact O-CB 3.24Å; E190-Q194 VanDerWaalsContact O-CG 3.27Å; E190-Q194 WeakPolarHBondContact O-CG 3.48Å; E190-Q194 PolarHBondContact O-N 3.36Å
191K78.6Confident75Confident131 Ų13173.5 Ų73.557%0.5737%0.372SS*.Hα-helixtrans-60.5-45.1175.3-176.9176.7179.2-179.40111.6P187 I188 L189 V193 Q194 D195P187-K191 VanDerWaalsContact O-CB 3.31Å; P187-K191 WeakPolarHBondContact O-CB 3.45Å; P187-K191 PolarHBondContact O-N 3.29Å; I188-K191 PolarHBondContact O-N 3.2Å; L189-K191 VanDerWaalsContact C-N 3.32Å; L189-K191 PolarHBondContact O-N 3.06Å; K191-V193 VanDerWaalsContact C-N 3.33Å; K191-V193 PolarHBondContact O-N 2.95Å; K191-Q194 PolarHBondContact O-N 3.46Å; K191-D195 WeakPolarHBondContact O-CB 3.33Å; K191-D195 VanDerWaalsContact O-CG 3.31Å; K191-D195 PolarHBondContact O-N 3.47Å
192M77.6Confident75.5Confident64 Ų6470.4 Ų70.432%0.31535%0.352SS..Hα-helixtrans-59.3-44.7177.7-175.1165.9-151.900111.7A165 I188 L189 E190 D195 S196A165-M192 HydrophobicContact CB-CE 3.13Å; A165-M192 HydrophobicContact CB-SD 3.61Å; I188-M192 WeakPolarHBondContact O-CB 3.21Å; I188-M192 PolarHBondContact O-N 3.35Å; L189-M192 PolarHBondContact O-N 3.07Å; E190-M192 PolarHBondContact O-N 3.36Å; M192-D195 PolarHBondContact O-N 3.34Å; M192-S196 VanDerWaalsContact O-CB 3.29Å; M192-S196 WeakPolarHBondContact O-CB 3.16Å; M192-S196 PolarHBondContact O-N 3.1Å; M192-S196 PolarHBondContact O-OG 2.93Å
193V76.1Confident75.9Confident56 Ų5666.4 Ų66.434%0.33933%0.331SS..Hα-helixtrans-64.4-39.8176.3173.10000111.4A166 L189 E190 K191 S196 Q197A166-V193 HydrophobicContact CB-CG2 4.16Å; L189-V193 HydrophobicContact CD1-CG2 4.38Å; L189-V193 WeakPolarHBondContact O-CG2 3.45Å; L189-V193 PolarHBondContact O-N 2.88Å; E190-V193 PolarHBondContact O-N 3.37Å; K191-V193 VanDerWaalsContact C-N 3.33Å; K191-V193 PolarHBondContact O-N 2.95Å; V193-S196 WeakPolarHBondContact O-CB 3.35Å; V193-S196 PolarHBondContact O-N 3.46Å; V193-Q197 VanDerWaalsContact O-CG 3.31Å; V193-Q197 WeakPolarHBondContact O-CG 3.28Å; V193-Q197 PolarHBondContact O-N 2.99Å
194Q75.9Confident76Confident92 Ų9264.2 Ų64.243%0.4332%0.319SS..Hα-helixtrans-65.7-46.6176.8-73.9173.56.800112.4E190 K191 S196 Q197 L198E190-Q194 WeakPolarHBondContact O-CB 3.24Å; E190-Q194 VanDerWaalsContact O-CG 3.27Å; E190-Q194 WeakPolarHBondContact O-CG 3.48Å; E190-Q194 PolarHBondContact O-N 3.36Å; K191-Q194 PolarHBondContact O-N 3.46Å; Q194-S196 PolarHBondContact O-N 3.44Å; Q194-Q197 WeakPolarHBondContact O-CB 3.47Å; Q194-Q197 PolarHBondContact O-N 3.03Å; Q194-L198 WeakPolarHBondContact O-CG 3.4Å; Q194-L198 PolarHBondContact O-N 3.21Å
195D78.7Confident75.9Confident81 Ų8159.4 Ų59.443%0.43330%0.297SS..Hα-helixtrans-59.8-38.8176-69.8-16.9000110.3K191 M192 L198 E199K191-D195 WeakPolarHBondContact O-CB 3.33Å; K191-D195 VanDerWaalsContact O-CG 3.31Å; K191-D195 PolarHBondContact O-N 3.47Å; M192-D195 PolarHBondContact O-N 3.34Å; D195-L198 WeakPolarHBondContact O-CB 3.16Å; D195-L198 PolarHBondContact O-N 3.24Å; D195-E199 PolarHBondContact O-N 3.28Å
196S75.1Confident75.8Confident15 Ų1561.5 Ų61.511%0.10531%0.306CS..Hα-helixtrans-64.4-43.1175.8-57.70000113Q162 M192 V193 Q194 L198 E199 M200Q162-S196 WeakPolarHBondContact CB-OG 3.27Å; Q162-S196 VanDerWaalsContact CD-OG 3.22Å; Q162-S196 WeakPolarHBondContact CG-OG 3.39Å; Q162-S196 PolarHBondContact OE1-O 3.5Å; Q162-S196 PolarHBondContact OE1-OG 3.26Å; M192-S196 VanDerWaalsContact O-CB 3.29Å; M192-S196 WeakPolarHBondContact O-CB 3.16Å; M192-S196 PolarHBondContact O-N 3.1Å; M192-S196 PolarHBondContact O-OG 2.93Å; V193-S196 WeakPolarHBondContact O-CB 3.35Å; V193-S196 PolarHBondContact O-N 3.46Å; Q194-S196 PolarHBondContact O-N 3.44Å; S196-L198 VanDerWaalsContact C-N 3.35Å; S196-E199 PolarHBondContact O-N 3.32Å; S196-M200 WeakPolarHBondContact O-CB 3.45Å; S196-M200 PolarHBondContact O-N 3.38Å
197Q74.1Confident75.1Confident106 Ų10660.8 Ų60.850%0.49530%0.303SS..Hα-helixtrans-62.9-42.8173.3-73.7174.5-0.400111V193 Q194 E199 M200 R201V193-Q197 VanDerWaalsContact O-CG 3.31Å; V193-Q197 WeakPolarHBondContact O-CG 3.28Å; V193-Q197 PolarHBondContact O-N 2.99Å; Q194-Q197 WeakPolarHBondContact O-CB 3.47Å; Q194-Q197 PolarHBondContact O-N 3.03Å; Q197-E199 VanDerWaalsContact C-N 3.34Å; Q197-E199 PolarHBondContact O-N 3.18Å; Q197-M200 PolarHBondContact O-N 3.32Å; Q197-R201 WeakPolarHBondContact O-CB 3.5Å; Q197-R201 WeakPolarHBondContact O-CG 3.41Å; Q197-R201 PolarHBondContact O-N 2.66Å
198L77.2Confident74.2Confident30 Ų3062.9 Ų62.916%0.15730%0.303CS..Hα-helixtrans-58.8-45.8176.4-74.6179000111.7Q194 D195 S196 R201 A202 V232 P233 L265Q194-L198 WeakPolarHBondContact O-CG 3.4Å; Q194-L198 PolarHBondContact O-N 3.21Å; D195-L198 WeakPolarHBondContact O-CB 3.16Å; D195-L198 PolarHBondContact O-N 3.24Å; S196-L198 VanDerWaalsContact C-N 3.35Å; L198-R201 PolarHBondContact O-N 3.42Å; L198-A202 WeakPolarHBondContact O-CB 3.43Å; L198-A202 PolarHBondContact O-N 3.43Å; L198-V232 HydrophobicContact CD2-CB 3.87Å; L198-V232 HydrophobicContact CD2-CG1 3.41Å; L198-V232 VanDerWaalsContact CD2-CG1 3.41Å; L198-P233 HydrophobicContact CD1-CG 4.24Å; L198-P233 HydrophobicContact CD2-CG 4.19Å; L198-P233 HydrophobicContact CG-CG 4.38Å; L198-L265 HydrophobicContact CD2-CD2 4.06Å
199E80.7Confident72.9Confident78 Ų7862.8 Ų62.836%0.36431%0.309SS..Hα-helixtrans-65.2-46.4179.2-166.8176.115200112.2S158 Q162 D195 S196 Q197 R201 A202 L203S158-E199 PolarHBondContact OG-OE1 3.01Å; Q162-E199 VanDerWaalsContact NE2-CD 3.35Å; Q162-E199 PolarHBondContact NE2-OE2 2.97Å; D195-E199 PolarHBondContact O-N 3.28Å; S196-E199 PolarHBondContact O-N 3.32Å; Q197-E199 VanDerWaalsContact C-N 3.34Å; Q197-E199 PolarHBondContact O-N 3.18Å; E199-R201 VanDerWaalsContact C-N 3.29Å; E199-R201 PolarHBondContact O-N 2.97Å; E199-A202 WeakPolarHBondContact O-CB 3.39Å; E199-A202 PolarHBondContact O-N 2.93Å; E199-L203 HydrophobicContact CG-CD1 4.42Å; E199-L203 WeakPolarHBondContact O-CG 3.29Å; E199-L203 PolarHBondContact O-N 3.05Å
200M76.6Confident71.7Confident65 Ų6564.8 Ų64.832%0.3232%0.319SS..Hα-helixtrans-58.4-42.9175-173.9-164.7-67.700111.2L155 V159 S196 Q197 L203 L204L155-M200 HydrophobicContact CD2-CG 4.29Å; V159-M200 HydrophobicContact CB-CE 4.18Å; V159-M200 HydrophobicContact CG1-CE 3.66Å; V159-M200 HydrophobicContact CG2-CB 4.28Å; V159-M200 HydrophobicContact CG2-CE 3.39Å; V159-M200 HydrophobicContact CG2-CG 3.98Å; V159-M200 HydrophobicContact CG2-SD 4.44Å; S196-M200 WeakPolarHBondContact O-CB 3.45Å; S196-M200 PolarHBondContact O-N 3.38Å; Q197-M200 PolarHBondContact O-N 3.32Å; M200-L203 PolarHBondContact O-N 3.18Å; M200-L204 HydrophobicContact CG-CD1 4.29Å; M200-L204 WeakPolarHBondContact O-CG 3.4Å; M200-L204 PolarHBondContact O-N 3.02Å
201R75.8Confident71.1Confident38 Ų3860.6 Ų60.614%0.14331%0.305CS..Hα-helixtrans-67-39.1179.2-70.3-170.685.2-129.8-13.2111.9Q197 L198 E199 L204 L205 D227 K231 V232Q197-R201 WeakPolarHBondContact O-CB 3.5Å; Q197-R201 WeakPolarHBondContact O-CG 3.41Å; Q197-R201 PolarHBondContact O-N 2.66Å; L198-R201 PolarHBondContact O-N 3.42Å; E199-R201 VanDerWaalsContact C-N 3.29Å; E199-R201 PolarHBondContact O-N 2.97Å; R201-L204 PolarHBondContact O-N 3.38Å; R201-L205 WeakPolarHBondContact O-CG 3.13Å; R201-L205 PolarHBondContact O-N 3.31Å; R201-D227 IonicContact NH2-OD2 3.74Å; R201-K231 WeakPolarHBondContact CD-O 3.35Å; R201-K231 PolarHBondContact NH1-O 2.97Å; R201-V232 VanDerWaalsContact NH1-N 3.11Å
202A77.4Confident70.7Confident0 Ų055.4 Ų55.40%028%0.283CS..Hα-helixtrans-61.9-42.5172.400000112L198 E199 L204 L205 H206 S262 L265 R266L198-A202 WeakPolarHBondContact O-CB 3.43Å; L198-A202 PolarHBondContact O-N 3.43Å; E199-A202 WeakPolarHBondContact O-CB 3.39Å; E199-A202 PolarHBondContact O-N 2.93Å; A202-L204 PolarHBondContact O-N 3.41Å; A202-L205 WeakPolarHBondContact O-CB 3.4Å; A202-L205 PolarHBondContact O-N 2.86Å; A202-H206 PolarHBondContact O-ND1 3.26Å; A202-S262 WeakPolarHBondContact CB-OG 3.44Å; A202-S262 PolarHBondContact O-OG 3.09Å; A202-S262 VanDerWaalsContact O-OG 3.07Å; A202-L265 HydrophobicContact CB-CB 4.08Å; A202-L265 HydrophobicContact CB-CD1 4.47Å; A202-R266 HydrophobicContact CB-CG 3.49Å; A202-R266 VanDerWaalsContact CB-CG 3.49Å; A202-R266 PolarHBondContact O-NH2 2.96Å
203L76.1Confident70.3Confident10 Ų1058.9 Ų58.95%0.05230%0.297CS..Hα-helixtrans-61.6-41.6172.3-71.5163.5000112.3E154 L155 E199 M200 L205 H206 L207 R266E154-L203 HydrophobicContact CB-CD2 4.37Å; L155-L203 HydrophobicContact CD2-CB 3.6Å; L155-L203 HydrophobicContact CD2-CD1 3.96Å; L155-L203 HydrophobicContact CD2-CG 4.38Å; L155-L203 HydrophobicContact CG-CB 4.35Å; E199-L203 HydrophobicContact CG-CD1 4.42Å; E199-L203 WeakPolarHBondContact O-CG 3.29Å; E199-L203 PolarHBondContact O-N 3.05Å; M200-L203 PolarHBondContact O-N 3.18Å; L203-L205 VanDerWaalsContact C-N 3.28Å; L203-L205 PolarHBondContact O-N 3.48Å; L203-H206 WeakPolarHBondContact O-CB 3.34Å; L203-H206 PolarHBondContact O-N 3.49Å; L203-L207 PolarHBondContact O-N 2.89Å; L203-R266 VanDerWaalsContact CA-NH2 3.28Å
204L71.4Confident70.2Confident87 Ų8763.4 Ų63.446%0.45532%0.319SS..Hα-helixtrans-66.2-27.4177.6-72.8172000113.6L155 M200 R201 A202 H206 L207 R208L155-L204 HydrophobicContact CD1-CD2 4.48Å; M200-L204 HydrophobicContact CG-CD1 4.29Å; M200-L204 WeakPolarHBondContact O-CG 3.4Å; M200-L204 PolarHBondContact O-N 3.02Å; R201-L204 PolarHBondContact O-N 3.38Å; A202-L204 PolarHBondContact O-N 3.41Å; L204-H206 VanDerWaalsContact C-N 3.32Å; L204-H206 PolarHBondContact O-N 2.99Å; L204-L207 HydrophobicContact CD2-CD1 4.17Å; L204-L207 PolarHBondContact O-N 3.31Å; L204-R208 PolarHBondContact O-N 3.26Å
205L72.2Confident70.7Confident15 Ų1563.2 Ų63.28%0.07932%0.317CS..Hα-helixtrans-62.4-39.6173.5-72.8177.2000112R201 A202 L203 L207 L224 L228 Q258 I261 L265R201-L205 WeakPolarHBondContact O-CG 3.13Å; R201-L205 PolarHBondContact O-N 3.31Å; A202-L205 WeakPolarHBondContact O-CB 3.4Å; A202-L205 PolarHBondContact O-N 2.86Å; L203-L205 VanDerWaalsContact C-N 3.28Å; L203-L205 PolarHBondContact O-N 3.48Å; L205-L207 VanDerWaalsContact C-N 3.34Å; L205-L224 HydrophobicContact CD2-CD1 3.55Å; L205-L228 HydrophobicContact CD1-CD2 4.41Å; L205-L228 HydrophobicContact CD2-CD2 4.49Å; L205-Q258 PolarHBondContact O-NE2 3.3Å; L205-I261 HydrophobicContact CD1-CG2 4.01Å; L205-L265 HydrophobicContact CD1-CD1 3.94Å
206H68.1Low71.3Confident67 Ų6761 Ų6131%0.3131%0.308SS..Hα-helixtrans-68.8-34.7176.4-65.682.3000112.3A202 L203 L204 R208 E259 S262 R266A202-H206 PolarHBondContact O-ND1 3.26Å; L203-H206 WeakPolarHBondContact O-CB 3.34Å; L203-H206 PolarHBondContact O-N 3.49Å; L204-H206 VanDerWaalsContact C-N 3.32Å; L204-H206 PolarHBondContact O-N 2.99Å; H206-R208 VanDerWaalsContact C-N 3.32Å; H206-R208 PolarHBondContact O-N 3.21Å; H206-E259 IonicContact CD2-OE2 3.31Å; H206-E259 PolarHBondContact CD2-OE2 3.14Å; H206-E259 IonicContact NE2-OE1 3.49Å; H206-E259 IonicContact NE2-OE2 3.75Å; H206-E259 PolarHBondContact NE2-OE2 3.2Å; H206-S262 PolarHBondContact CE1-OG 3.28Å; H206-S262 PolarHBondContact ND1-OG 2.98Å; H206-R266 VanDerWaalsContact CE1-CZ 3.49Å; H206-R266 PolarHBondContact CE1-NH1 3.24Å; H206-R266 VanDerWaalsContact CE1-NH1 3.28Å; H206-R266 PolarHBondContact CE1-NH2 3.04Å; H206-R266 PolarHBondContact ND1-NH2 3.29Å
207L60.4Low72.1Confident49 Ų4960.2 Ų60.226%0.25730%0.303SS..Hα-helixtrans-75.7-15.2-176.7-91.3164.7000114.6L151 L155 L203 L204 L205 P209L151-L207 HydrophobicContact CB-CD1 4.29Å; L151-L207 HydrophobicContact CB-CD2 3.57Å; L151-L207 HydrophobicContact CB-CG 3.98Å; L151-L207 HydrophobicContact CD1-CD2 3.36Å; L151-L207 HydrophobicContact CD1-CG 3.84Å; L151-L207 HydrophobicContact CD2-CG 4.31Å; L151-L207 HydrophobicContact CG-CD2 4Å; L151-L207 HydrophobicContact CG-CG 4.26Å; L155-L207 HydrophobicContact CD1-CD1 3.21Å; L155-L207 HydrophobicContact CD2-CD1 4.48Å; L155-L207 HydrophobicContact CG-CD1 3.89Å; L203-L207 PolarHBondContact O-N 2.89Å; L204-L207 HydrophobicContact CD2-CD1 4.17Å; L204-L207 PolarHBondContact O-N 3.31Å; L205-L207 VanDerWaalsContact C-N 3.34Å; L207-P209 WeakPolarHBondContact O-CD 3.39Å; L207-P209 WeakPolarHBondContact O-CG 3.44Å
208R57.6Low73Confident110 Ų11055.7 Ų55.742%0.41528%0.284SS..  trans-77.298-179.4-172173.4-178.41562.8108.3L204 H206 L210L204-R208 PolarHBondContact O-N 3.26Å; H206-R208 VanDerWaalsContact C-N 3.32Å; H206-R208 PolarHBondContact O-N 3.21Å; R208-L210 HydrophobicContact CG-CB 3.72Å; R208-L210 HydrophobicContact CG-CD1 3.82Å; R208-L210 HydrophobicContact CG-CG 3.63Å; R208-L210 PolarHBondContact O-N 2.85Å
209P48.7Very low73.8Confident98 Ų9858.9 Ų58.964%0.63630%0.298SS*.  trans-78.716.1178.57.116.1000110.3L207 G211L207-P209 WeakPolarHBondContact O-CD 3.39Å; L207-P209 WeakPolarHBondContact O-CG 3.44Å; P209-G211 VanDerWaalsContact C-N 3.34Å; P209-G211 PolarHBondContact O-N 2.61Å
210L52.2Low74.3Confident59 Ų5955.5 Ų55.531%0.30928%0.284SS..  trans-84.191.8-178.8-48.8-178.9000104.6R208 K213R208-L210 HydrophobicContact CG-CB 3.72Å; R208-L210 HydrophobicContact CG-CD1 3.82Å; R208-L210 HydrophobicContact CG-CG 3.63Å; R208-L210 PolarHBondContact O-N 2.85Å; L210-K213 HydrophobicContact CB-CD 4.43Å; L210-K213 HydrophobicContact CB-CG 4.37Å; L210-K213 HydrophobicContact CD1-CD 4.5Å; L210-K213 VanDerWaalsContact CD1-CE 3.47Å; L210-K213 HydrophobicContact CD2-CD 4.47Å
211G62.5Low75.1Confident22 Ų2252.4 Ų52.423%0.22727%0.269CS..  trans-52.1-172.8151.800000109.8P209 K213P209-G211 VanDerWaalsContact C-N 3.34Å; P209-G211 PolarHBondContact O-N 2.61Å; G211-K213 PolarHBondContact O-N 3.27Å
212L71Confident76Confident21 Ų2153.6 Ų53.611%0.1128%0.275CS..  trans-62.7-6.1-167.5-65.8167.5000116D214 K215 L217 E250 F254L212-D214 VanDerWaalsContact C-N 3.27Å; L212-D214 PolarHBondContact O-N 2.89Å; L212-K215 HydrophobicContact CB-CB 4.37Å; L212-K215 WeakPolarHBondContact CB-O 3.45Å; L212-K215 WeakPolarHBondContact O-CB 3.48Å; L212-K215 WeakPolarHBondContact O-CG 3.36Å; L212-K215 PolarHBondContact O-N 2.79Å; L212-L217 HydrophobicContact CD1-CB 4.3Å; L212-E250 HydrophobicContact CD1-CB 3.47Å; L212-E250 VanDerWaalsContact CD1-CB 3.47Å; L212-E250 HydrophobicContact CD1-CG 4.17Å; L212-F254 HydrophobicContact CD2-CB 4.37Å; L212-F254 HydrophobicContact CD2-CD1 4.34Å; L212-F254 HydrophobicContact CD2-CD2 3.84Å; L212-F254 HydrophobicContact CD2-CE2 4.22Å; L212-F254 HydrophobicContact CD2-CG 3.92Å; L212-F254 HydrophobicContact CG-CG 4.46Å
213K68.5Low76.6Confident137 Ų13756.9 Ų56.960%0.59629%0.293SS*.THydrogen-bonded Turntrans44.655.2178.6-69.2-169.6175.3-172.90111L210 G211 K215L210-K213 HydrophobicContact CB-CD 4.43Å; L210-K213 HydrophobicContact CB-CG 4.37Å; L210-K213 HydrophobicContact CD1-CD 4.5Å; L210-K213 VanDerWaalsContact CD1-CE 3.47Å; L210-K213 HydrophobicContact CD2-CD 4.47Å; G211-K213 PolarHBondContact O-N 3.27Å; K213-K215 PolarHBondContact O-N 3.19Å
214D74.8Confident77.2Confident151 Ų15156.6 Ų56.681%0.80729%0.291SS*.THydrogen-bonded Turntrans70.9-0.2-178.6-47.9-50.8000116.7L212L212-D214 VanDerWaalsContact C-N 3.27Å; L212-D214 PolarHBondContact O-N 2.89Å
215K85.4Confident78.2Confident88 Ų8852.4 Ų52.438%0.38327%0.269SS..  trans-78.9160.7171.5-57.7-179.5176.6-175.90111.9L212 K213 E219 D223L212-K215 HydrophobicContact CB-CB 4.37Å; L212-K215 WeakPolarHBondContact CB-O 3.45Å; L212-K215 WeakPolarHBondContact O-CB 3.48Å; L212-K215 WeakPolarHBondContact O-CG 3.36Å; L212-K215 PolarHBondContact O-N 2.79Å; K213-K215 PolarHBondContact O-N 3.19Å; K215-E219 HydrophobicContact CB-CB 4.08Å; K215-D223 IonicContact NZ-OD2 3.62Å; K215-D223 PolarHBondContact NZ-OD2 3.46Å
216S90.9Very high79.1Confident34 Ų3455 Ų5524%0.23828%0.283CS..  trans-74.1159.4165.863.60000111.7G218 E219 G220 E250S216-G218 VanDerWaalsContact C-N 3.26Å; S216-G218 PolarHBondContact O-N 2.97Å; S216-E219 WeakPolarHBondContact CB-OE2 3.49Å; S216-E219 PolarHBondContact N-OE2 3.36Å; S216-E219 PolarHBondContact O-N 3.26Å; S216-E219 WeakPolarHBondContact OG-CB 3.49Å; S216-E219 VanDerWaalsContact OG-CD 3.28Å; S216-E219 VanDerWaalsContact OG-CG 3.22Å; S216-E219 WeakPolarHBondContact OG-CG 3.28Å; S216-E219 PolarHBondContact OG-N 2.92Å; S216-E219 PolarHBondContact OG-OE2 3.47Å; S216-G220 PolarHBondContact O-N 3.42Å; S216-E250 WeakPolarHBondContact CA-OE1 3.48Å
217L92.9Very high80Confident0 Ų054.2 Ų54.20%028%0.281CS..Hα-helixtrans-52.2-45.4173.8176.462.7000112L212 G220 I221 V245 E250 L253 F254 L277L212-L217 HydrophobicContact CD1-CB 4.3Å; L217-G220 PolarHBondContact O-N 2.91Å; L217-I221 HydrophobicContact CD1-CD1 3.84Å; L217-I221 HydrophobicContact CD1-CG1 4.15Å; L217-I221 HydrophobicContact CG-CD1 3.98Å; L217-I221 WeakPolarHBondContact O-CG1 3.47Å; L217-I221 PolarHBondContact O-N 3.31Å; L217-V245 HydrophobicContact CD2-CG1 4.29Å; L217-V245 HydrophobicContact CD2-CG2 4.34Å; L217-E250 HydrophobicContact CB-CB 4.29Å; L217-E250 HydrophobicContact CB-CG 4.08Å; L217-E250 PolarHBondContact N-OE1 2.84Å; L217-L253 HydrophobicContact CD1-CB 4.06Å; L217-L253 HydrophobicContact CD2-CB 3.73Å; L217-L253 HydrophobicContact CD2-CD1 3.64Å; L217-L253 HydrophobicContact CD2-CG 4.35Å; L217-F254 HydrophobicContact CD1-CB 3.82Å; L217-F254 HydrophobicContact CD1-CD2 4.33Å; L217-L277 HydrophobicContact CD2-CD1 4.15Å; L217-L277 HydrophobicContact CD2-CD2 3.94Å; L217-L277 HydrophobicContact CG-CD2 4.07Å
218G93.4Very high81.3Confident10 Ų1052 Ų5210%0.10327%0.269CS..Hα-helixtrans-62.5-43.8-179.100000112.9S216 K222S216-G218 VanDerWaalsContact C-N 3.26Å; S216-G218 PolarHBondContact O-N 2.97Å; G218-K222 VanDerWaalsContact O-CG 3.24Å; G218-K222 WeakPolarHBondContact O-CG 3.28Å; G218-K222 PolarHBondContact O-N 3.43Å
219E92.5Very high82.8Confident97 Ų9751.4 Ų51.445%0.45327%0.271SS..Hα-helixtrans-64.7-43.8174.7-71.2166.7135.700111.9K215 S216 I221 K222 D223K215-E219 HydrophobicContact CB-CB 4.08Å; S216-E219 WeakPolarHBondContact CB-OE2 3.49Å; S216-E219 PolarHBondContact N-OE2 3.36Å; S216-E219 PolarHBondContact O-N 3.26Å; S216-E219 WeakPolarHBondContact OG-CB 3.49Å; S216-E219 VanDerWaalsContact OG-CD 3.28Å; S216-E219 VanDerWaalsContact OG-CG 3.22Å; S216-E219 WeakPolarHBondContact OG-CG 3.28Å; S216-E219 PolarHBondContact OG-N 2.92Å; S216-E219 PolarHBondContact OG-OE2 3.47Å; E219-I221 VanDerWaalsContact C-N 3.34Å; E219-I221 PolarHBondContact O-N 3.38Å; E219-K222 PolarHBondContact O-N 2.93Å; E219-D223 WeakPolarHBondContact O-CB 3.35Å; E219-D223 PolarHBondContact O-N 3.35Å
220G91.4Very high84.4Confident7 Ų754.7 Ų54.77%0.07228%0.275CS..Hα-helixtrans-59.2-43.5177.700000112.7S216 L217 L224 F254S216-G220 PolarHBondContact O-N 3.42Å; L217-G220 PolarHBondContact O-N 2.91Å; G220-L224 VanDerWaalsContact O-CB 3.32Å; G220-L224 WeakPolarHBondContact O-CB 3.23Å; G220-L224 PolarHBondContact O-N 2.91Å; G220-F254 WeakPolarHBondContact O-CE2 3.44Å
221I94Very high85.7Confident0 Ų057.2 Ų57.20%028%0.284CS..Hα-helixtrans-66.3-44.8176.1-66.5173.8000111L217 E219 D223 L224 V225 I240 F254 T257 V275 L277 L286L217-I221 HydrophobicContact CD1-CD1 3.84Å; L217-I221 HydrophobicContact CD1-CG1 4.15Å; L217-I221 HydrophobicContact CG-CD1 3.98Å; L217-I221 WeakPolarHBondContact O-CG1 3.47Å; L217-I221 PolarHBondContact O-N 3.31Å; E219-I221 VanDerWaalsContact C-N 3.34Å; E219-I221 PolarHBondContact O-N 3.38Å; I221-D223 PolarHBondContact O-N 3.38Å; I221-L224 WeakPolarHBondContact O-CB 3.41Å; I221-L224 PolarHBondContact O-N 3.18Å; I221-V225 HydrophobicContact CG2-CG2 4.35Å; I221-V225 WeakPolarHBondContact O-CG2 3.43Å; I221-V225 PolarHBondContact O-N 3.22Å; I221-I240 HydrophobicContact CB-CD1 4.39Å; I221-I240 HydrophobicContact CG2-CD1 3.74Å; I221-I240 HydrophobicContact CG2-CG1 4.28Å; I221-F254 HydrophobicContact CG1-CD2 4.21Å; I221-T257 HydrophobicContact CD1-CG2 4.37Å; I221-T257 HydrophobicContact CG1-CG2 4.17Å; I221-V275 HydrophobicContact CG2-CB 4.34Å; I221-V275 HydrophobicContact CG2-CG1 3.63Å; I221-L277 HydrophobicContact CD1-CD2 4.47Å; I221-L286 HydrophobicContact CD1-CD1 4.23Å
222K94Very high86.7Confident63 Ų6356.8 Ų56.827%0.27428%0.276SS..Hα-helixtrans-57.6-48.5177.3-74.1168.9-174.6172.20111.2G218 E219 L224 V225 I226 I240G218-K222 VanDerWaalsContact O-CG 3.24Å; G218-K222 WeakPolarHBondContact O-CG 3.28Å; G218-K222 PolarHBondContact O-N 3.43Å; E219-K222 PolarHBondContact O-N 2.93Å; K222-L224 PolarHBondContact O-N 2.93Å; K222-V225 PolarHBondContact O-N 2.93Å; K222-I226 VanDerWaalsContact O-CG1 3.27Å; K222-I226 WeakPolarHBondContact O-CG1 3.26Å; K222-I226 PolarHBondContact O-N 3.35Å; K222-I240 HydrophobicContact CG-CG1 4.28Å
223D90.5Very high87.1Confident69 Ų6960.4 Ų60.437%0.36930%0.302SS..Hα-helixtrans-61-43.4177.4-80.6-11.2000112.4K215 E219 I221 V225 I226 D227K215-D223 IonicContact NZ-OD2 3.62Å; K215-D223 PolarHBondContact NZ-OD2 3.46Å; E219-D223 WeakPolarHBondContact O-CB 3.35Å; E219-D223 PolarHBondContact O-N 3.35Å; I221-D223 PolarHBondContact O-N 3.38Å; D223-V225 VanDerWaalsContact C-N 3.33Å; D223-V225 PolarHBondContact O-N 3.37Å; D223-I226 PolarHBondContact O-N 3.45Å; D223-D227 WeakPolarHBondContact O-CB 3.36Å; D223-D227 PolarHBondContact O-N 2.96Å
224L89.7Confident88.1Confident4 Ų454.6 Ų54.62%0.02128%0.277CS..Hα-helixtrans-59.1-46.5176.2175.460.7000110.9L205 G220 I221 K222 D227 L228 F254 T257 Q258 I261L205-L224 HydrophobicContact CD2-CD1 3.55Å; G220-L224 VanDerWaalsContact O-CB 3.32Å; G220-L224 WeakPolarHBondContact O-CB 3.23Å; G220-L224 PolarHBondContact O-N 2.91Å; I221-L224 WeakPolarHBondContact O-CB 3.41Å; I221-L224 PolarHBondContact O-N 3.18Å; K222-L224 PolarHBondContact O-N 2.93Å; L224-D227 PolarHBondContact O-N 3.4Å; L224-L228 HydrophobicContact CD1-CD1 3.93Å; L224-L228 HydrophobicContact CD1-CG 4.25Å; L224-L228 HydrophobicContact CG-CD1 4.01Å; L224-L228 WeakPolarHBondContact O-CB 3.26Å; L224-L228 VanDerWaalsContact O-CG 3.25Å; L224-L228 WeakPolarHBondContact O-CG 3.45Å; L224-L228 PolarHBondContact O-N 3.49Å; L224-F254 HydrophobicContact CB-CE2 4.49Å; L224-F254 HydrophobicContact CD2-CE2 4.26Å; L224-F254 HydrophobicContact CD2-CZ 4.47Å; L224-T257 HydrophobicContact CD2-CG2 4.47Å; L224-Q258 HydrophobicContact CD2-CG 4Å; L224-I261 HydrophobicContact CD2-CD1 3.8Å; L224-I261 HydrophobicContact CG-CD1 4.35Å
225V92.7Very high89Confident0 Ų053.9 Ų53.90%027%0.266CS..Hα-helixtrans-66.6-44.6180171.40000111.5I221 K222 D223 D227 L228 Q229 V236 H238 V275I221-V225 HydrophobicContact CG2-CG2 4.35Å; I221-V225 WeakPolarHBondContact O-CG2 3.43Å; I221-V225 PolarHBondContact O-N 3.22Å; K222-V225 PolarHBondContact O-N 2.93Å; D223-V225 VanDerWaalsContact C-N 3.33Å; D223-V225 PolarHBondContact O-N 3.37Å; V225-D227 VanDerWaalsContact C-N 3.31Å; V225-D227 PolarHBondContact O-N 3.15Å; V225-L228 PolarHBondContact O-N 2.93Å; V225-Q229 HydrophobicContact CG1-CG 4.21Å; V225-Q229 WeakPolarHBondContact O-CB 3.27Å; V225-Q229 VanDerWaalsContact O-CG 3.29Å; V225-Q229 WeakPolarHBondContact O-CG 3.47Å; V225-Q229 PolarHBondContact O-N 3.4Å; V225-V236 HydrophobicContact CB-CG1 4.11Å; V225-V236 HydrophobicContact CG1-CB 4.09Å; V225-V236 HydrophobicContact CG1-CG1 3.59Å; V225-V236 HydrophobicContact CG2-CG1 3.83Å; V225-H238 HydrophobicContact CB-CB 4.44Å; V225-H238 HydrophobicContact CG1-CB 4.31Å; V225-H238 HydrophobicContact CG2-CB 4.14Å; V225-V275 HydrophobicContact CG2-CG2 4.43Å
226I90.9Very high89.5Confident70 Ų7049.8 Ų49.836%0.35925%0.249SC..Hα-helixtrans-60.2-41.2176.6-68.7165.1000111.1K222 D223 K230K222-I226 VanDerWaalsContact O-CG1 3.27Å; K222-I226 WeakPolarHBondContact O-CG1 3.26Å; K222-I226 PolarHBondContact O-N 3.35Å; D223-I226 PolarHBondContact O-N 3.45Å; I226-K230 WeakPolarHBondContact O-CG 3.21Å
227D86Confident89.7Confident50 Ų5050.2 Ų50.227%0.26725%0.25SC..Hα-helixtrans-65.8-40.5176.7-169.569.8000111.9R201 D223 L224 V225 K231R201-D227 IonicContact NH2-OD2 3.74Å; D223-D227 WeakPolarHBondContact O-CB 3.36Å; D223-D227 PolarHBondContact O-N 2.96Å; L224-D227 PolarHBondContact O-N 3.4Å; V225-D227 VanDerWaalsContact C-N 3.31Å; V225-D227 PolarHBondContact O-N 3.15Å; D227-K231 WeakPolarHBondContact O-CD 3.38Å; D227-K231 VanDerWaalsContact OD1-CE 3.27Å; D227-K231 WeakPolarHBondContact OD1-CE 3.45Å; D227-K231 IonicContact OD1-NZ 3.77Å; D227-K231 PolarHBondContact OD1-NZ 2.6Å; D227-K231 IonicContact OD2-NZ 2.76Å; D227-K231 PolarHBondContact OD2-NZ 2.98Å
228L87.4Confident89.9Confident2 Ų253.2 Ų53.21%0.0126%0.264CS..Hα-helixtrans-67.7-45.3177.9-71.9169.6000111.9L205 L224 V225 K230 K231 V232 V236 I261 L265L205-L228 HydrophobicContact CD1-CD2 4.41Å; L205-L228 HydrophobicContact CD2-CD2 4.49Å; L224-L228 HydrophobicContact CD1-CD1 3.93Å; L224-L228 HydrophobicContact CD1-CG 4.25Å; L224-L228 HydrophobicContact CG-CD1 4.01Å; L224-L228 WeakPolarHBondContact O-CB 3.26Å; L224-L228 VanDerWaalsContact O-CG 3.25Å; L224-L228 WeakPolarHBondContact O-CG 3.45Å; L224-L228 PolarHBondContact O-N 3.49Å; V225-L228 PolarHBondContact O-N 2.93Å; L228-K230 PolarHBondContact O-N 3.34Å; L228-K230 VanDerWaalsContact O-N 3.09Å; L228-K231 CarbonylContact O-C 3.59Å; L228-K231 PolarHBondContact O-N 3.47Å; L228-V232 HydrophobicContact CB-CG2 4.33Å; L228-V232 WeakPolarHBondContact O-CG2 3.28Å; L228-V232 PolarHBondContact O-N 2.87Å; L228-V236 HydrophobicContact CB-CG2 4.03Å; L228-I261 HydrophobicContact CD1-CD1 4.26Å; L228-I261 HydrophobicContact CD1-CG2 3.57Å; L228-L265 HydrophobicContact CD2-CD1 4.25Å
229Q90.3Very high90.1Very high98 Ų9857.9 Ų57.946%0.45828%0.283SS..Hα-helixtrans-51.9-34.3178.5-78.6175.7-13.600113.3V225 K231 V236V225-Q229 HydrophobicContact CG1-CG 4.21Å; V225-Q229 WeakPolarHBondContact O-CB 3.27Å; V225-Q229 VanDerWaalsContact O-CG 3.29Å; V225-Q229 WeakPolarHBondContact O-CG 3.47Å; V225-Q229 PolarHBondContact O-N 3.4Å; Q229-K231 VanDerWaalsContact C-N 3.31Å; Q229-K231 PolarHBondContact O-N 3.24Å; Q229-V236 HydrophobicContact CG-CB 4.15Å; Q229-V236 WeakPolarHBondContact CG-O 3.27Å; Q229-V236 PolarHBondContact NE2-O 3.28Å
230K82.1Confident90.3Very high167 Ų16754.4 Ų54.473%0.72627%0.267SS*.THydrogen-bonded Turntrans-79.1-12.8-179.1-68175-175.9177.40114.2I226 L228I226-K230 WeakPolarHBondContact O-CG 3.21Å; L228-K230 PolarHBondContact O-N 3.34Å; L228-K230 VanDerWaalsContact O-N 3.09Å
231K78.5Confident90.4Very high112 Ų11258.1 Ų58.149%0.48728%0.282SS..THydrogen-bonded Turntrans-139.2-6.9-159.5-66.9174.1179.5172.10113.6R201 D227 L228 Q229R201-K231 WeakPolarHBondContact CD-O 3.35Å; R201-K231 PolarHBondContact NH1-O 2.97Å; D227-K231 WeakPolarHBondContact O-CD 3.38Å; D227-K231 VanDerWaalsContact OD1-CE 3.27Å; D227-K231 WeakPolarHBondContact OD1-CE 3.45Å; D227-K231 IonicContact OD1-NZ 3.77Å; D227-K231 PolarHBondContact OD1-NZ 2.6Å; D227-K231 IonicContact OD2-NZ 2.76Å; D227-K231 PolarHBondContact OD2-NZ 2.98Å; L228-K231 CarbonylContact O-C 3.59Å; L228-K231 PolarHBondContact O-N 3.47Å; Q229-K231 VanDerWaalsContact C-N 3.31Å; Q229-K231 PolarHBondContact O-N 3.24Å
232V83.3Confident90.3Very high12 Ų1264.8 Ų64.87%0.07332%0.318CS..  trans-116.6145.6169.3-760000110.4L198 R201 L228 M234 V236 L265L198-V232 HydrophobicContact CD2-CB 3.87Å; L198-V232 HydrophobicContact CD2-CG1 3.41Å; L198-V232 VanDerWaalsContact CD2-CG1 3.41Å; R201-V232 VanDerWaalsContact NH1-N 3.11Å; L228-V232 HydrophobicContact CB-CG2 4.33Å; L228-V232 WeakPolarHBondContact O-CG2 3.28Å; L228-V232 PolarHBondContact O-N 2.87Å; V232-M234 HydrophobicContact CB-CB 4.5Å; V232-M234 HydrophobicContact CG2-CB 4.2Å; V232-M234 PolarHBondContact O-N 2.75Å; V232-M234 VanDerWaalsContact O-N 3.14Å; V232-V236 HydrophobicContact CG2-CG2 3.82Å; V232-L265 HydrophobicContact CB-CD2 4.37Å; V232-L265 HydrophobicContact CG1-CD1 4.37Å; V232-L265 HydrophobicContact CG1-CD2 3.69Å; V232-L265 HydrophobicContact CG2-CD2 4.45Å
233P81Confident90.2Very high98 Ų9863.4 Ų63.464%0.63631%0.312SS*.SBendtrans-71.66171.330.9-38.1000114.3L198L198-P233 HydrophobicContact CD1-CG 4.24Å; L198-P233 HydrophobicContact CD2-CG 4.19Å; L198-P233 HydrophobicContact CG-CG 4.38Å
234M88.2Confident90Very high15 Ų1565.1 Ų65.17%0.07432%0.317CS..SBendtrans-101140.3-179.3-175.8179.866.900110.9V232 V236 T264 L265 T271 V273V232-M234 HydrophobicContact CB-CB 4.5Å; V232-M234 HydrophobicContact CG2-CB 4.2Å; V232-M234 PolarHBondContact O-N 2.75Å; V232-M234 VanDerWaalsContact O-N 3.14Å; M234-V236 HydrophobicContact CE-CG2 4.13Å; M234-V236 PolarHBondContact O-N 2.96Å; M234-V236 VanDerWaalsContact O-N 3.13Å; M234-T264 HydrophobicContact CE-CG2 4.05Å; M234-T264 HydrophobicContact SD-CG2 3.84Å; M234-L265 HydrophobicContact CE-CD2 3.33Å; M234-L265 HydrophobicContact CE-CG 4.15Å; M234-L265 HydrophobicContact SD-CD2 4.33Å; M234-T271 WeakPolarHBondContact CG-O 3.44Å; M234-V273 HydrophobicContact CE-CB 3.98Å; M234-V273 HydrophobicContact CE-CG1 3.55Å; M234-V273 HydrophobicContact SD-CB 4.45Å
235K93.9Very high90Very high135 Ų13565.4 Ų65.459%0.58732%0.318SS*.EExtended strand (participates in β ladder)trans-72.8104.6176.2-173.9176.1-178.8171.80110.6V237 T271 K272 V273K235-V237 HydrophobicContact CD-CG2 4.25Å; K235-V237 HydrophobicContact CG-CG2 3.84Å; K235-T271 WeakPolarHBondContact CB-O 3.5Å; K235-T271 PolarHBondContact N-O 3.19Å; K235-K272 HydrophobicContact CB-CB 4.29Å; K235-K272 HydrophobicContact CB-CG 4.21Å; K235-K272 HydrophobicContact CD-CG 4.41Å; K235-K272 HydrophobicContact CG-CG 4.31Å; K235-K272 CarbonylContact O-C 3.58Å; K235-K272 WeakPolarHBondContact O-CA 3.27Å; K235-K272 WeakPolarHBondContact O-CG 3.32Å; K235-V273 PolarHBondContact O-N 3.18Å
236V95.2Very high89.7Confident2 Ų267.7 Ų67.71%0.01233%0.333CS..EExtended strand (participates in β ladder)trans-97.1120.8174.5-166.80000109V225 L228 Q229 V232 M234 V273V225-V236 HydrophobicContact CB-CG1 4.11Å; V225-V236 HydrophobicContact CG1-CB 4.09Å; V225-V236 HydrophobicContact CG1-CG1 3.59Å; V225-V236 HydrophobicContact CG2-CG1 3.83Å; L228-V236 HydrophobicContact CB-CG2 4.03Å; Q229-V236 HydrophobicContact CG-CB 4.15Å; Q229-V236 WeakPolarHBondContact CG-O 3.27Å; Q229-V236 PolarHBondContact NE2-O 3.28Å; V232-V236 HydrophobicContact CG2-CG2 3.82Å; M234-V236 HydrophobicContact CE-CG2 4.13Å; M234-V236 PolarHBondContact O-N 2.96Å; M234-V236 VanDerWaalsContact O-N 3.13Å; V236-V273 HydrophobicContact CB-CG1 4.04Å; V236-V273 HydrophobicContact CG1-CG1 3.63Å; V236-V273 HydrophobicContact CG2-CG1 3.97Å
237V96.7Very high89.4Confident44 Ų4471.2 Ų71.227%0.26735%0.346SS..EExtended strand (participates in β ladder)trans-122.5149.1-179.4-173.10000109.5K235 V273 T274 V275K235-V237 HydrophobicContact CD-CG2 4.25Å; K235-V237 HydrophobicContact CG-CG2 3.84Å; V237-V273 PolarHBondContact N-O 3.39Å; V237-T274 HydrophobicContact CB-CG2 4.46Å; V237-T274 CarbonylContact O-C 3.57Å; V237-T274 WeakPolarHBondContact O-CA 3.34Å; V237-V275 PolarHBondContact O-N 3.05Å
238H96.6Very high89.2Confident62 Ų6271.6 Ų71.629%0.28736%0.362SS..EExtended strand (participates in β ladder)trans-130.8148.51747076.5000112.2V225 I240 V275V225-H238 HydrophobicContact CB-CB 4.44Å; V225-H238 HydrophobicContact CG1-CB 4.31Å; V225-H238 HydrophobicContact CG2-CB 4.14Å; H238-I240 HydrophobicContact CB-CD1 4.33Å; H238-I240 HydrophobicContact CB-CG1 3.96Å; H238-V275 CarbonylContact C-O 3.57Å; H238-V275 WeakPolarHBondContact CA-O 3.48Å
239E97.3Very high89.3Confident109 Ų10972.6 Ų72.651%0.50937%0.367SS..EExtended strand (participates in β ladder)trans-133.997.3169.4-171.1171.8167.100108.1V275 E276 L277 F278E239-V275 PolarHBondContact N-O 2.9Å; E239-E276 HydrophobicContact CB-CG 4.34Å; E239-E276 CarbonylContact O-C 3.48Å; E239-E276 VanDerWaalsContact O-CA 3.24Å; E239-E276 WeakPolarHBondContact O-CA 3.16Å; E239-L277 PolarHBondContact O-N 2.74Å; E239-F278 HydrophobicContact CB-CZ 4.48Å; E239-F278 HydrophobicContact CG-CE1 4.05Å; E239-F278 HydrophobicContact CG-CZ 3.99Å
240I96.4Very high89.4Confident23 Ų2368.5 Ų68.512%0.11835%0.348CS..EExtended strand (participates in β ladder)trans-120.9110.1-167.4-54-60.4000108.1I221 K222 H238 V275 L277I221-I240 HydrophobicContact CB-CD1 4.39Å; I221-I240 HydrophobicContact CG2-CD1 3.74Å; I221-I240 HydrophobicContact CG2-CG1 4.28Å; K222-I240 HydrophobicContact CG-CG1 4.28Å; H238-I240 HydrophobicContact CB-CD1 4.33Å; H238-I240 HydrophobicContact CB-CG1 3.96Å; I240-V275 HydrophobicContact CD1-CG1 4.48Å; I240-L277 HydrophobicContact CD1-CB 3.57Å; I240-L277 HydrophobicContact CG2-CB 4.21Å; I240-L277 HydrophobicContact CG2-CD2 4.12Å
241Q94.7Very high89.6Confident85 Ų8563 Ų6340%0.39733%0.326SS..  trans-68.2142.6170-172.3173.52.200109.7F243 L277 N279Q241-F243 HydrophobicContact CB-CD1 4Å; Q241-F243 HydrophobicContact CB-CE1 4.14Å; Q241-F243 HydrophobicContact CG-CD1 4.12Å; Q241-F243 VanDerWaalsContact O-CD1 3.26Å; Q241-F243 WeakPolarHBondContact O-CD1 3.42Å; Q241-L277 WeakPolarHBondContact CB-O 3.22Å; Q241-L277 PolarHBondContact N-O 3.45Å; Q241-N279 PolarHBondContact OE1-O 3.28Å
242D90.2Very high90.2Very high141 Ų14159.6 Ų59.675%0.75431%0.312SS*.  trans-87.8114.1177.2-163.126.5000110
243F91.9Very high90.7Very high33 Ų3359 Ų5915%0.14531%0.309CS..  trans-162.4156.9178.163.9-78.9000110.6Q241 V245 L277 N279 L284 L339Q241-F243 HydrophobicContact CB-CD1 4Å; Q241-F243 HydrophobicContact CB-CE1 4.14Å; Q241-F243 HydrophobicContact CG-CD1 4.12Å; Q241-F243 VanDerWaalsContact O-CD1 3.26Å; Q241-F243 WeakPolarHBondContact O-CD1 3.42Å; F243-V245 HydrophobicContact CD2-CG2 3.87Å; F243-V245 HydrophobicContact CE2-CG2 3.44Å; F243-V245 VanDerWaalsContact CE2-CG2 3.44Å; F243-V245 HydrophobicContact CZ-CG2 4.05Å; F243-L277 HydrophobicContact CE1-CD2 4.11Å; F243-L277 HydrophobicContact CE1-CG 3.85Å; F243-L277 HydrophobicContact CZ-CD1 4.11Å; F243-L277 HydrophobicContact CZ-CD2 4.11Å; F243-L277 HydrophobicContact CZ-CG 3.8Å; F243-N279 HydrophobicContact CB-CB 4.21Å; F243-N279 HydrophobicContact CD1-CB 3.69Å; F243-N279 HydrophobicContact CD2-CB 3.89Å; F243-N279 HydrophobicContact CE1-CB 3.92Å; F243-N279 HydrophobicContact CE2-CB 4.11Å; F243-N279 HydrophobicContact CG-CB 3.67Å; F243-N279 HydrophobicContact CZ-CB 4.12Å; F243-L284 HydrophobicContact CE2-CB 3.93Å; F243-L284 HydrophobicContact CZ-CB 3.99Å; F243-L339 HydrophobicContact CD2-CD1 4.16Å; F243-L339 HydrophobicContact CE2-CD1 3.88Å
244K87Confident91.3Very high106 Ų10654.9 Ų54.946%0.46128%0.281SS..  trans-76.6129.8178.5-166.6176.2-177.8176.10110.5S344 D346K244-S344 WeakPolarHBondContact CD-O 3.39Å; K244-D346 PolarHBondContact NZ-O 2.82Å
245V89.5Confident91.4Very high9 Ų957.9 Ų57.96%0.05529%0.291CS..  trans-114.1132175-179.50000107.8L217 F243 K247 I249 E250 L253 L284L217-V245 HydrophobicContact CD2-CG1 4.29Å; L217-V245 HydrophobicContact CD2-CG2 4.34Å; F243-V245 HydrophobicContact CD2-CG2 3.87Å; F243-V245 HydrophobicContact CE2-CG2 3.44Å; F243-V245 VanDerWaalsContact CE2-CG2 3.44Å; F243-V245 HydrophobicContact CZ-CG2 4.05Å; V245-K247 PolarHBondContact O-N 3.3Å; V245-I249 HydrophobicContact CG1-CD1 3.72Å; V245-I249 HydrophobicContact CG1-CG1 3.46Å; V245-I249 VanDerWaalsContact CG1-CG1 3.46Å; V245-E250 HydrophobicContact CB-CG 3.86Å; V245-E250 HydrophobicContact CG1-CG 3.67Å; V245-L253 HydrophobicContact CG1-CD1 4.44Å; V245-L284 HydrophobicContact CG1-CD2 3.98Å; V245-L284 HydrophobicContact CG2-CD2 4.41Å
246P87.2Confident91.4Very high49 Ų4951.5 Ų51.532%0.31826%0.263SS..  trans-55.4130.1177.3-27.434.4000112.5G248 I249 E250 L339P246-G248 PolarHBondContact O-N 2.87Å; P246-I249 HydrophobicContact CB-CG1 4.32Å; P246-I249 HydrophobicContact CG-CD1 4.38Å; P246-I249 VanDerWaalsContact O-CG1 3.28Å; P246-I249 WeakPolarHBondContact O-CG1 3.4Å; P246-I249 PolarHBondContact O-N 3Å; P246-E250 WeakPolarHBondContact O-CG 3.46Å; P246-E250 PolarHBondContact O-N 3.03Å; P246-L339 HydrophobicContact CG-CD2 4.4Å
247K83.3Confident91.3Very high143 Ų14351.4 Ų51.462%0.62226%0.263SS*.Hα-helixtrans-48.7-36.4-177.8-73.7-93.9-179.2-177.70113.5V245 I249 E250V245-K247 PolarHBondContact O-N 3.3Å; K247-I249 VanDerWaalsContact C-N 3.26Å; K247-I249 PolarHBondContact O-N 3.48Å; K247-E250 PolarHBondContact O-N 2.87Å
248G82.1Confident91.1Very high59 Ų5949.9 Ų49.961%0.60825%0.253SS*.Hα-helixtrans-64.6-23.8-179.500000114.8P246P246-G248 PolarHBondContact O-N 2.87Å
249I90Very high90.8Very high23 Ų2348.4 Ų48.412%0.11825%0.246CC..Hα-helixtrans-103.7-18.9179.971.5176.6000113.1V245 P246 K247 D251 H252 L253 L284 I317 A337 L339V245-I249 HydrophobicContact CG1-CD1 3.72Å; V245-I249 HydrophobicContact CG1-CG1 3.46Å; V245-I249 VanDerWaalsContact CG1-CG1 3.46Å; P246-I249 HydrophobicContact CB-CG1 4.32Å; P246-I249 HydrophobicContact CG-CD1 4.38Å; P246-I249 VanDerWaalsContact O-CG1 3.28Å; P246-I249 WeakPolarHBondContact O-CG1 3.4Å; P246-I249 PolarHBondContact O-N 3Å; K247-I249 VanDerWaalsContact C-N 3.26Å; K247-I249 PolarHBondContact O-N 3.48Å; I249-D251 PolarHBondContact O-N 2.95Å; I249-H252 PolarHBondContact O-N 2.92Å; I249-L253 HydrophobicContact CD1-CD1 4.35Å; I249-L253 HydrophobicContact CG1-CD1 4.26Å; I249-L253 WeakPolarHBondContact O-CG 3.25Å; I249-L253 PolarHBondContact O-N 2.88Å; I249-L253 VanDerWaalsContact O-N 3.1Å; I249-L284 HydrophobicContact CD1-CD2 3.6Å; I249-I317 HydrophobicContact CB-CB 4.33Å; I249-I317 HydrophobicContact CB-CD1 4.13Å; I249-I317 HydrophobicContact CB-CG2 4.31Å; I249-I317 HydrophobicContact CG2-CB 3.87Å; I249-I317 HydrophobicContact CG2-CD1 4.49Å; I249-I317 HydrophobicContact CG2-CG2 4.06Å; I249-A337 HydrophobicContact CD1-CB 4.35Å; I249-L339 HydrophobicContact CD1-CD2 4.48Å
250E91.6Very high90.7Very high12 Ų1243.3 Ų43.36%0.05622%0.223CC..Hα-helixtrans-59.8-45.6-176.6-67.3-168.412200113.1L212 S216 L217 V245 P246 K247 H252 L253 F254L212-E250 HydrophobicContact CD1-CB 3.47Å; L212-E250 VanDerWaalsContact CD1-CB 3.47Å; L212-E250 HydrophobicContact CD1-CG 4.17Å; S216-E250 WeakPolarHBondContact CA-OE1 3.48Å; L217-E250 HydrophobicContact CB-CB 4.29Å; L217-E250 HydrophobicContact CB-CG 4.08Å; L217-E250 PolarHBondContact N-OE1 2.84Å; V245-E250 HydrophobicContact CB-CG 3.86Å; V245-E250 HydrophobicContact CG1-CG 3.67Å; P246-E250 WeakPolarHBondContact O-CG 3.46Å; P246-E250 PolarHBondContact O-N 3.03Å; K247-E250 PolarHBondContact O-N 2.87Å; E250-H252 PolarHBondContact O-N 3.36Å; E250-L253 PolarHBondContact O-N 3.43Å; E250-F254 VanDerWaalsContact O-CB 3.28Å; E250-F254 WeakPolarHBondContact O-CB 3.5Å; E250-F254 PolarHBondContact O-N 3.36Å
251D87.6Confident90.5Very high51 Ų5142.2 Ų42.227%0.27322%0.217SC..Hα-helixtrans-65-39.6-178.8-168.967.2000111.8I249 F254 R255I249-D251 PolarHBondContact O-N 2.95Å; D251-F254 PolarHBondContact O-N 3Å; D251-R255 WeakPolarHBondContact O-CB 3.32Å; D251-R255 VanDerWaalsContact O-CG 3.26Å; D251-R255 WeakPolarHBondContact O-CG 3.24Å; D251-R255 PolarHBondContact O-N 3.13Å; D251-R255 IonicContact OD1-NE 3.13Å; D251-R255 IonicContact OD1-NH2 3.92Å; D251-R255 IonicContact OD2-CZ 3.26Å; D251-R255 IonicContact OD2-NE 2.95Å; D251-R255 PolarHBondContact OD2-NE 3.49Å; D251-R255 IonicContact OD2-NH2 2.82Å; D251-R255 PolarHBondContact OD2-NH2 2.87Å
252H90.6Very high90.3Very high40 Ų4038.1 Ų38.119%0.18520%0.198CC..Hα-helixtrans-64-47.4177.1-70.7-97.6000111.3I249 E250 R255 I256 E316 I317I249-H252 PolarHBondContact O-N 2.92Å; E250-H252 PolarHBondContact O-N 3.36Å; H252-R255 PolarHBondContact O-N 2.86Å; H252-I256 VanDerWaalsContact O-CG1 3.27Å; H252-I256 WeakPolarHBondContact O-CG1 3.48Å; H252-I256 PolarHBondContact O-N 3.21Å; H252-E316 IonicContact CE1-OE2 2.96Å; H252-E316 PolarHBondContact CE1-OE2 2.92Å; H252-E316 IonicContact ND1-OE2 2.8Å; H252-E316 PolarHBondContact ND1-OE2 2.93Å; H252-I317 HydrophobicContact CB-CD1 4.15Å; H252-I317 HydrophobicContact CB-CG2 3.67Å; H252-I317 VanDerWaalsContact CD2-CG2 3.45Å; H252-I317 WeakPolarHBondContact CD2-CG2 3.49Å; H252-I317 VanDerWaalsContact CG-CG2 3.41Å
253L94.3Very high90.3Very high0 Ų032.8 Ų32.80%017%0.169CC..Hα-helixtrans-66.1-38.2178.5-67.7172.9000112.2L217 V245 I249 E250 I256 T257 L284 L286 I317 V335L217-L253 HydrophobicContact CD1-CB 4.06Å; L217-L253 HydrophobicContact CD2-CB 3.73Å; L217-L253 HydrophobicContact CD2-CD1 3.64Å; L217-L253 HydrophobicContact CD2-CG 4.35Å; V245-L253 HydrophobicContact CG1-CD1 4.44Å; I249-L253 HydrophobicContact CD1-CD1 4.35Å; I249-L253 HydrophobicContact CG1-CD1 4.26Å; I249-L253 WeakPolarHBondContact O-CG 3.25Å; I249-L253 PolarHBondContact O-N 2.88Å; I249-L253 VanDerWaalsContact O-N 3.1Å; E250-L253 PolarHBondContact O-N 3.43Å; L253-I256 PolarHBondContact O-N 2.66Å; L253-T257 PolarHBondContact O-N 2.92Å; L253-T257 PolarHBondContact O-OG1 2.56Å; L253-L284 HydrophobicContact CD1-CD1 3.61Å; L253-L284 HydrophobicContact CD1-CD2 3.79Å; L253-L284 HydrophobicContact CD1-CG 4.37Å; L253-L284 HydrophobicContact CD2-CD1 4.3Å; L253-L286 HydrophobicContact CB-CD2 4.31Å; L253-L286 HydrophobicContact CD2-CD2 4.04Å; L253-I317 HydrophobicContact CD2-CD1 3.95Å; L253-I317 HydrophobicContact CG-CD1 4.01Å; L253-V335 HydrophobicContact CD2-CB 4.39Å; L253-V335 HydrophobicContact CD2-CG1 3.75Å
254F92.3Very high90.4Very high11 Ų1131.5 Ų31.55%0.04816%0.164CC..Hα-helixtrans-64.5-44.4176-171.9-113000111.3L212 L217 G220 I221 L224 E250 D251 I256 T257 Q258L212-F254 HydrophobicContact CD2-CB 4.37Å; L212-F254 HydrophobicContact CD2-CD1 4.34Å; L212-F254 HydrophobicContact CD2-CD2 3.84Å; L212-F254 HydrophobicContact CD2-CE2 4.22Å; L212-F254 HydrophobicContact CD2-CG 3.92Å; L212-F254 HydrophobicContact CG-CG 4.46Å; L217-F254 HydrophobicContact CD1-CB 3.82Å; L217-F254 HydrophobicContact CD1-CD2 4.33Å; G220-F254 WeakPolarHBondContact O-CE2 3.44Å; I221-F254 HydrophobicContact CG1-CD2 4.21Å; L224-F254 HydrophobicContact CB-CE2 4.49Å; L224-F254 HydrophobicContact CD2-CE2 4.26Å; L224-F254 HydrophobicContact CD2-CZ 4.47Å; E250-F254 VanDerWaalsContact O-CB 3.28Å; E250-F254 WeakPolarHBondContact O-CB 3.5Å; E250-F254 PolarHBondContact O-N 3.36Å; D251-F254 PolarHBondContact O-N 3Å; F254-I256 PolarHBondContact O-N 3.26Å; F254-T257 WeakPolarHBondContact O-CB 3.48Å; F254-T257 PolarHBondContact O-N 3.18Å; F254-T257 VanDerWaalsContact O-N 3.15Å; F254-Q258 HydrophobicContact CD1-CG 4.41Å; F254-Q258 HydrophobicContact CE1-CG 4.11Å; F254-Q258 HydrophobicContact CZ-CG 4.26Å; F254-Q258 WeakPolarHBondContact O-CG 3.39Å; F254-Q258 PolarHBondContact O-N 2.95Å
255R90.1Very high90.5Very high79 Ų7927.1 Ų27.130%0.29815%0.146SC..Hα-helixtrans-62.3-42.2175.1-73.8178.9-170.1-77.5-5.7112.8D251 H252 T257 Q258 E259 R313D251-R255 WeakPolarHBondContact O-CB 3.32Å; D251-R255 VanDerWaalsContact O-CG 3.26Å; D251-R255 WeakPolarHBondContact O-CG 3.24Å; D251-R255 PolarHBondContact O-N 3.13Å; D251-R255 IonicContact OD1-NE 3.13Å; D251-R255 IonicContact OD1-NH2 3.92Å; D251-R255 IonicContact OD2-CZ 3.26Å; D251-R255 IonicContact OD2-NE 2.95Å; D251-R255 PolarHBondContact OD2-NE 3.49Å; D251-R255 IonicContact OD2-NH2 2.82Å; D251-R255 PolarHBondContact OD2-NH2 2.87Å; H252-R255 PolarHBondContact O-N 2.86Å; R255-T257 VanDerWaalsContact C-N 3.27Å; R255-T257 PolarHBondContact O-N 3.06Å; R255-Q258 PolarHBondContact O-N 2.82Å; R255-E259 WeakPolarHBondContact O-CB 3.47Å; R255-E259 PolarHBondContact O-N 2.87Å; R255-R313 VanDerWaalsContact CD-CZ 3.49Å
256I94.1Very high90.4Very high0 Ų029.8 Ų29.80%016%0.155CC..Hα-helixtrans-59.5-42.5174.1-69.7164000110.2H252 L253 F254 E259 A260 L286 M310 R313 A314 V335H252-I256 VanDerWaalsContact O-CG1 3.27Å; H252-I256 WeakPolarHBondContact O-CG1 3.48Å; H252-I256 PolarHBondContact O-N 3.21Å; L253-I256 PolarHBondContact O-N 2.66Å; F254-I256 PolarHBondContact O-N 3.26Å; I256-E259 PolarHBondContact O-N 2.83Å; I256-A260 VanDerWaalsContact O-CB 3.26Å; I256-A260 WeakPolarHBondContact O-CB 3.33Å; I256-A260 PolarHBondContact O-N 2.98Å; I256-L286 HydrophobicContact CG2-CD2 4.36Å; I256-M310 HydrophobicContact CG1-CB 4.3Å; I256-M310 HydrophobicContact CG1-CG 4.34Å; I256-M310 HydrophobicContact CG2-CB 4.46Å; I256-M310 HydrophobicContact CG2-CG 4.28Å; I256-M310 HydrophobicContact CG2-SD 4.02Å; I256-R313 HydrophobicContact CD1-CB 4.12Å; I256-R313 HydrophobicContact CG1-CB 4.19Å; I256-A314 HydrophobicContact CD1-CB 4.11Å; I256-V335 HydrophobicContact CD1-CG2 4.37Å; I256-V335 HydrophobicContact CG2-CG2 4.05Å
257T94.6Very high90.4Very high0 Ų031.8 Ų31.80%016%0.16CC..Hα-helixtrans-61.9-45.3176.8-550000111.7I221 L224 L253 F254 R255 A260 I261 V275 L286I221-T257 HydrophobicContact CD1-CG2 4.37Å; I221-T257 HydrophobicContact CG1-CG2 4.17Å; L224-T257 HydrophobicContact CD2-CG2 4.47Å; L253-T257 PolarHBondContact O-N 2.92Å; L253-T257 PolarHBondContact O-OG1 2.56Å; F254-T257 WeakPolarHBondContact O-CB 3.48Å; F254-T257 PolarHBondContact O-N 3.18Å; F254-T257 VanDerWaalsContact O-N 3.15Å; R255-T257 VanDerWaalsContact C-N 3.27Å; R255-T257 PolarHBondContact O-N 3.06Å; T257-A260 PolarHBondContact O-N 3.49Å; T257-I261 HydrophobicContact CG2-CD1 3.8Å; T257-I261 HydrophobicContact CG2-CG1 4.47Å; T257-I261 WeakPolarHBondContact O-CB 3.27Å; T257-I261 VanDerWaalsContact O-CG1 3.26Å; T257-I261 WeakPolarHBondContact O-CG1 3.48Å; T257-I261 PolarHBondContact O-N 3.41Å; T257-V275 HydrophobicContact CG2-CG1 3.92Å; T257-L286 WeakPolarHBondContact OG1-CD2 3.47Å
258Q91.7Very high90.8Very high13 Ų1325.4 Ų25.46%0.06113%0.133CC..Hα-helixtrans-61.6-46.2177.5-70.3-179.6-6700112L205 L224 F254 R255 S262L205-Q258 PolarHBondContact O-NE2 3.3Å; L224-Q258 HydrophobicContact CD2-CG 4Å; F254-Q258 HydrophobicContact CD1-CG 4.41Å; F254-Q258 HydrophobicContact CE1-CG 4.11Å; F254-Q258 HydrophobicContact CZ-CG 4.26Å; F254-Q258 WeakPolarHBondContact O-CG 3.39Å; F254-Q258 PolarHBondContact O-N 2.95Å; R255-Q258 PolarHBondContact O-N 2.82Å; Q258-S262 VanDerWaalsContact O-CB 3.23Å; Q258-S262 WeakPolarHBondContact O-CB 3.47Å; Q258-S262 PolarHBondContact O-N 3Å
259E90.9Very high91Very high30 Ų3028.8 Ų28.814%0.1414%0.137CC..Hα-helixtrans-63.5-45.8178.8-17662.3-141.800111.2H206 R255 I256 S262 N263 G306 M310H206-E259 IonicContact CD2-OE2 3.31Å; H206-E259 PolarHBondContact CD2-OE2 3.14Å; H206-E259 IonicContact NE2-OE1 3.49Å; H206-E259 IonicContact NE2-OE2 3.75Å; H206-E259 PolarHBondContact NE2-OE2 3.2Å; R255-E259 WeakPolarHBondContact O-CB 3.47Å; R255-E259 PolarHBondContact O-N 2.87Å; I256-E259 PolarHBondContact O-N 2.83Å; E259-S262 PolarHBondContact O-N 2.94Å; E259-N263 WeakPolarHBondContact O-CB 3.31Å; E259-N263 PolarHBondContact O-N 2.79Å; E259-N263 PolarHBondContact O-ND2 2.98Å; E259-N263 PolarHBondContact OE1-ND2 3.19Å; E259-G306 WeakPolarHBondContact OE1-CA 3.27Å; E259-M310 HydrophobicContact CB-CG 3.85Å; E259-M310 HydrophobicContact CB-SD 3.82Å; E259-M310 HydrophobicContact CG-CE 4.02Å; E259-M310 HydrophobicContact CG-CG 3.52Å; E259-M310 HydrophobicContact CG-SD 3.67Å
260A94.3Very high91.1Very high2 Ų228.6 Ų28.62%0.01714%0.141CC..Hα-helixtrans-60.3-49.5177.600000111.7I256 T257 S262 N263 T264 I288 M310 I333I256-A260 VanDerWaalsContact O-CB 3.26Å; I256-A260 WeakPolarHBondContact O-CB 3.33Å; I256-A260 PolarHBondContact O-N 2.98Å; T257-A260 PolarHBondContact O-N 3.49Å; A260-S262 VanDerWaalsContact C-N 3.33Å; A260-S262 PolarHBondContact O-N 3.46Å; A260-N263 PolarHBondContact O-N 3.42Å; A260-T264 PolarHBondContact O-N 3.24Å; A260-T264 PolarHBondContact O-OG1 2.91Å; A260-I288 HydrophobicContact CB-CB 4.06Å; A260-I288 HydrophobicContact CB-CD1 4.09Å; A260-I288 HydrophobicContact CB-CG1 4.06Å; A260-I288 HydrophobicContact CB-CG2 3.97Å; A260-M310 HydrophobicContact CB-SD 4.1Å; A260-I333 HydrophobicContact CB-CD1 3.95Å
261I93.3Very high91.1Very high0 Ų032.8 Ų32.80%017%0.167CC..Hα-helixtrans-61.9-43.4177-68.7169.6000110.7L205 L224 L228 T257 N263 T264 L265 V275L205-I261 HydrophobicContact CD1-CG2 4.01Å; L224-I261 HydrophobicContact CD2-CD1 3.8Å; L224-I261 HydrophobicContact CG-CD1 4.35Å; L228-I261 HydrophobicContact CD1-CD1 4.26Å; L228-I261 HydrophobicContact CD1-CG2 3.57Å; T257-I261 HydrophobicContact CG2-CD1 3.8Å; T257-I261 HydrophobicContact CG2-CG1 4.47Å; T257-I261 WeakPolarHBondContact O-CB 3.27Å; T257-I261 VanDerWaalsContact O-CG1 3.26Å; T257-I261 WeakPolarHBondContact O-CG1 3.48Å; T257-I261 PolarHBondContact O-N 3.41Å; I261-N263 VanDerWaalsContact C-N 3.3Å; I261-N263 PolarHBondContact O-N 3.46Å; I261-T264 WeakPolarHBondContact O-CB 3.27Å; I261-T264 PolarHBondContact O-N 3.27Å; I261-L265 HydrophobicContact CG2-CD1 4.17Å; I261-L265 HydrophobicContact CG2-CG 4.34Å; I261-L265 WeakPolarHBondContact O-CG 3.34Å; I261-L265 PolarHBondContact O-N 2.98Å; I261-V275 HydrophobicContact CD1-CG2 3.94Å; I261-V275 HydrophobicContact CG1-CG2 4.19Å
262S89.2Confident91.6Very high0 Ų034.1 Ų34.10%017%0.171CC..Hα-helixtrans-60.6-42178-176.50000111.8A202 H206 Q258 E259 A260 L265 R266A202-S262 WeakPolarHBondContact CB-OG 3.44Å; A202-S262 PolarHBondContact O-OG 3.09Å; A202-S262 VanDerWaalsContact O-OG 3.07Å; H206-S262 PolarHBondContact CE1-OG 3.28Å; H206-S262 PolarHBondContact ND1-OG 2.98Å; Q258-S262 VanDerWaalsContact O-CB 3.23Å; Q258-S262 WeakPolarHBondContact O-CB 3.47Å; Q258-S262 PolarHBondContact O-N 3Å; E259-S262 PolarHBondContact O-N 2.94Å; A260-S262 VanDerWaalsContact C-N 3.33Å; A260-S262 PolarHBondContact O-N 3.46Å; S262-L265 PolarHBondContact O-N 2.91Å; S262-R266 WeakPolarHBondContact O-CG 3.35Å; S262-R266 PolarHBondContact O-N 3.46Å
263N90.8Very high91.9Very high28 Ų2832.2 Ų32.215%0.1516%0.162CC..Hα-helixtrans-64.4-40.7175.7-76-41.8000111.7E259 A260 I261 L265 R266 H267E259-N263 WeakPolarHBondContact O-CB 3.31Å; E259-N263 PolarHBondContact O-N 2.79Å; E259-N263 PolarHBondContact O-ND2 2.98Å; E259-N263 PolarHBondContact OE1-ND2 3.19Å; A260-N263 PolarHBondContact O-N 3.42Å; I261-N263 VanDerWaalsContact C-N 3.3Å; I261-N263 PolarHBondContact O-N 3.46Å; N263-L265 PolarHBondContact O-N 3.25Å; N263-R266 PolarHBondContact O-N 2.94Å; N263-H267 WeakPolarHBondContact O-CB 3.38Å; N263-H267 PolarHBondContact O-N 3.3Å
264T93.1Very high92.1Very high7 Ų733.2 Ų33.24%0.04317%0.168CC..Iπ-helixtrans-58.8-47.3172.2-59.80000111.1M234 A260 I261 R266 S268 V273 D290M234-T264 HydrophobicContact CE-CG2 4.05Å; M234-T264 HydrophobicContact SD-CG2 3.84Å; A260-T264 PolarHBondContact O-N 3.24Å; A260-T264 PolarHBondContact O-OG1 2.91Å; I261-T264 WeakPolarHBondContact O-CB 3.27Å; I261-T264 PolarHBondContact O-N 3.27Å; T264-R266 VanDerWaalsContact C-N 3.32Å; T264-R266 PolarHBondContact O-N 3.32Å; T264-S268 WeakPolarHBondContact CG2-OG 3.49Å; T264-S268 WeakPolarHBondContact O-CB 3.44Å; T264-S268 PolarHBondContact O-N 3.07Å; T264-S268 PolarHBondContact O-OG 3Å; T264-V273 HydrophobicContact CG2-CB 3.98Å; T264-V273 HydrophobicContact CG2-CG2 4.03Å; T264-D290 HydrophobicContact CG2-CB 3.46Å; T264-D290 VanDerWaalsContact CG2-CB 3.46Å; T264-D290 PolarHBondContact OG1-OD1 3.48Å
265L89.4Confident92.3Very high14 Ų1432.7 Ų32.77%0.07317%0.166CC..Iπ-helixtrans-61.1-37179.9-70.2176.8000113.3L198 A202 L205 L228 V232 M234 I261 S262 N263L198-L265 HydrophobicContact CD2-CD2 4.06Å; A202-L265 HydrophobicContact CB-CB 4.08Å; A202-L265 HydrophobicContact CB-CD1 4.47Å; L205-L265 HydrophobicContact CD1-CD1 3.94Å; L228-L265 HydrophobicContact CD2-CD1 4.25Å; V232-L265 HydrophobicContact CB-CD2 4.37Å; V232-L265 HydrophobicContact CG1-CD1 4.37Å; V232-L265 HydrophobicContact CG1-CD2 3.69Å; V232-L265 HydrophobicContact CG2-CD2 4.45Å; M234-L265 HydrophobicContact CE-CD2 3.33Å; M234-L265 HydrophobicContact CE-CG 4.15Å; M234-L265 HydrophobicContact SD-CD2 4.33Å; I261-L265 HydrophobicContact CG2-CD1 4.17Å; I261-L265 HydrophobicContact CG2-CG 4.34Å; I261-L265 WeakPolarHBondContact O-CG 3.34Å; I261-L265 PolarHBondContact O-N 2.98Å; S262-L265 PolarHBondContact O-N 2.91Å; N263-L265 PolarHBondContact O-N 3.25Å
266R87Confident92.7Very high65 Ų6530.3 Ų30.325%0.24516%0.158CC..Iπ-helixtrans-84.5-33.2-178.5-69.2-178.9-176.4154.63.4114.4A202 L203 H206 S262 N263 T264A202-R266 HydrophobicContact CB-CG 3.49Å; A202-R266 VanDerWaalsContact CB-CG 3.49Å; A202-R266 PolarHBondContact O-NH2 2.96Å; L203-R266 VanDerWaalsContact CA-NH2 3.28Å; H206-R266 VanDerWaalsContact CE1-CZ 3.49Å; H206-R266 PolarHBondContact CE1-NH1 3.24Å; H206-R266 VanDerWaalsContact CE1-NH1 3.28Å; H206-R266 PolarHBondContact CE1-NH2 3.04Å; H206-R266 PolarHBondContact ND1-NH2 3.29Å; S262-R266 WeakPolarHBondContact O-CG 3.35Å; S262-R266 PolarHBondContact O-N 3.46Å; N263-R266 PolarHBondContact O-N 2.94Å; T264-R266 VanDerWaalsContact C-N 3.32Å; T264-R266 PolarHBondContact O-N 3.32Å
267H88.5Confident92.9Very high91 Ų9130.4 Ų30.442%0.42116%0.158SC..Iπ-helixtrans-126.6-21.5-160.1-57.4-43.7000114.4N263 N269 K293N263-H267 WeakPolarHBondContact O-CB 3.38Å; N263-H267 PolarHBondContact O-N 3.3Å; H267-N269 PolarHBondContact O-N 3.42Å; H267-K293 WeakPolarHBondContact O-CE 3.4Å; H267-K293 PolarHBondContact O-NZ 2.62Å
268S90.8Very high93Very high8 Ų832.1 Ų32.16%0.05617%0.166CC..Iπ-helixtrans-69.3-35.8-173.471.70000112.6T264 G270 G292 K293T264-S268 WeakPolarHBondContact CG2-OG 3.49Å; T264-S268 WeakPolarHBondContact O-CB 3.44Å; T264-S268 PolarHBondContact O-N 3.07Å; T264-S268 PolarHBondContact O-OG 3Å; S268-G270 PolarHBondContact O-N 2.91Å; S268-G270 VanDerWaalsContact O-N 3.09Å; S268-G270 PolarHBondContact OG-N 3.42Å; S268-G292 CarbonylContact O-C 3.45Å; S268-G292 WeakPolarHBondContact O-CA 3.33Å; S268-K293 PolarHBondContact O-N 3.41Å
269N87.7Confident93.1Very high131 Ų13134.1 Ų34.170%0.70118%0.177SC*.  trans49.922.2-161.9-63-11.5000112.7H267H267-N269 PolarHBondContact O-N 3.42Å
270G90.3Very high93.1Very high18 Ų1836.9 Ų36.919%0.18619%0.189CC..  trans-85.2169.2-179.500000112.1S268S268-G270 PolarHBondContact O-N 2.91Å; S268-G270 VanDerWaalsContact O-N 3.09Å; S268-G270 PolarHBondContact OG-N 3.42Å
271T93.4Very high92.6Very high101 Ų10142.1 Ų42.162%0.6222%0.216SC*.SBendtrans-104.6-11.7179.855.70000112.9M234 K235 N291M234-T271 WeakPolarHBondContact CG-O 3.44Å; K235-T271 WeakPolarHBondContact CB-O 3.5Å; K235-T271 PolarHBondContact N-O 3.19Å; T271-N291 PolarHBondContact N-OD1 3.45Å; T271-N291 PolarHBondContact OG1-ND2 2.93Å
272K96.5Very high92.3Very high78 Ų7848 Ų4834%0.33925%0.248SC..EExtended strand (participates in β ladder)trans-145.4139.1-176.2-173-172.5175.7-159.60112K235 T274 D290 N291K235-K272 HydrophobicContact CB-CB 4.29Å; K235-K272 HydrophobicContact CB-CG 4.21Å; K235-K272 HydrophobicContact CD-CG 4.41Å; K235-K272 HydrophobicContact CG-CG 4.31Å; K235-K272 CarbonylContact O-C 3.58Å; K235-K272 WeakPolarHBondContact O-CA 3.27Å; K235-K272 WeakPolarHBondContact O-CG 3.32Å; K272-T274 VanDerWaalsContact CE-OG1 3.25Å; K272-T274 WeakPolarHBondContact CE-OG1 3.45Å; K272-T274 PolarHBondContact NZ-OG1 3.49Å; K272-D290 WeakPolarHBondContact O-CA 3.47Å; K272-N291 PolarHBondContact N-OD1 3.42Å; K272-N291 PolarHBondContact O-N 3.21Å; K272-N291 PolarHBondContact O-OD1 2.89Å; K272-N291 VanDerWaalsContact O-OD1 3.05Å
273V97.3Very high92.5Very high0 Ų052 Ų520%026%0.263CS..EExtended strand (participates in β ladder)trans-125142.516372.30000109.8M234 K235 V236 V237 T264 I288 Q289 D290M234-V273 HydrophobicContact CE-CB 3.98Å; M234-V273 HydrophobicContact CE-CG1 3.55Å; M234-V273 HydrophobicContact SD-CB 4.45Å; K235-V273 PolarHBondContact O-N 3.18Å; V236-V273 HydrophobicContact CB-CG1 4.04Å; V236-V273 HydrophobicContact CG1-CG1 3.63Å; V236-V273 HydrophobicContact CG2-CG1 3.97Å; V237-V273 PolarHBondContact N-O 3.39Å; T264-V273 HydrophobicContact CG2-CB 3.98Å; T264-V273 HydrophobicContact CG2-CG2 4.03Å; V273-I288 HydrophobicContact CG2-CG2 3.89Å; V273-Q289 CarbonylContact C-O 3.54Å; V273-Q289 WeakPolarHBondContact CA-O 3.42Å; V273-D290 HydrophobicContact CG2-CB 4.35Å
274T98.1Very high92.7Very high21 Ų2150.6 Ų50.613%0.12926%0.256CS..EExtended strand (participates in β ladder)trans-124.2128.5179-45.90000108.8V237 K272 E276 I288 Q289V237-T274 HydrophobicContact CB-CG2 4.46Å; V237-T274 CarbonylContact O-C 3.57Å; V237-T274 WeakPolarHBondContact O-CA 3.34Å; K272-T274 VanDerWaalsContact CE-OG1 3.25Å; K272-T274 WeakPolarHBondContact CE-OG1 3.45Å; K272-T274 PolarHBondContact NZ-OG1 3.49Å; T274-E276 HydrophobicContact CG2-CG 3.96Å; T274-I288 WeakPolarHBondContact O-CA 3.35Å; T274-Q289 PolarHBondContact N-O 3.31Å; T274-Q289 PolarHBondContact O-N 3.41Å
275V98.1Very high92.8Very high0 Ų050.9 Ų50.90%026%0.257CS..EExtended strand (participates in β ladder)trans-114.3117.7177-175.20000108.8I221 V225 V237 H238 E239 I240 T257 I261 L286 R287 I288I221-V275 HydrophobicContact CG2-CB 4.34Å; I221-V275 HydrophobicContact CG2-CG1 3.63Å; V225-V275 HydrophobicContact CG2-CG2 4.43Å; V237-V275 PolarHBondContact O-N 3.05Å; H238-V275 CarbonylContact C-O 3.57Å; H238-V275 WeakPolarHBondContact CA-O 3.48Å; E239-V275 PolarHBondContact N-O 2.9Å; I240-V275 HydrophobicContact CD1-CG1 4.48Å; T257-V275 HydrophobicContact CG2-CG1 3.92Å; I261-V275 HydrophobicContact CD1-CG2 3.94Å; I261-V275 HydrophobicContact CG1-CG2 4.19Å; V275-L286 HydrophobicContact CG1-CD1 4.31Å; V275-R287 CarbonylContact C-O 3.58Å; V275-R287 WeakPolarHBondContact CA-O 3.41Å; V275-I288 HydrophobicContact CG1-CG1 4.3Å; V275-I288 HydrophobicContact CG2-CG1 4.47Å; V275-I288 HydrophobicContact CG2-CG2 4.41Å
276E98.2Very high93.2Very high29 Ų2950.2 Ų50.214%0.13625%0.254CS..EExtended strand (participates in β ladder)trans-119.1134.6-176.8-47.8177.5146.100110E239 T274 F278 L286 R287E239-E276 HydrophobicContact CB-CG 4.34Å; E239-E276 CarbonylContact O-C 3.48Å; E239-E276 VanDerWaalsContact O-CA 3.24Å; E239-E276 WeakPolarHBondContact O-CA 3.16Å; T274-E276 HydrophobicContact CG2-CG 3.96Å; E276-F278 HydrophobicContact CB-CD2 4.11Å; E276-F278 HydrophobicContact CB-CE2 3.51Å; E276-F278 HydrophobicContact CB-CZ 4.12Å; E276-F278 HydrophobicContact CG-CE2 4.21Å; E276-L286 CarbonylContact O-C 3.26Å; E276-L286 WeakPolarHBondContact O-CA 3.41Å; E276-R287 HydrophobicContact CB-CB 4.24Å; E276-R287 PolarHBondContact N-O 3.25Å; E276-R287 PolarHBondContact O-N 3.35Å; E276-R287 VanDerWaalsContact OE2-CD 3.24Å; E276-R287 WeakPolarHBondContact OE2-CD 3.33Å; E276-R287 IonicContact OE2-CZ 3.9Å; E276-R287 IonicContact OE2-NE 3.22Å; E276-R287 IonicContact OE2-NH1 3.38Å; E276-R287 PolarHBondContact OE2-NH1 3.5Å
277L97.8Very high93.8Very high2 Ų249.9 Ų49.91%0.0125%0.252CS..EExtended strand (participates in β ladder)trans-131.8113.4175.3-177.668.9000108.7L217 I221 E239 I240 Q241 F243 L284 L285 L286L217-L277 HydrophobicContact CD2-CD1 4.15Å; L217-L277 HydrophobicContact CD2-CD2 3.94Å; L217-L277 HydrophobicContact CG-CD2 4.07Å; I221-L277 HydrophobicContact CD1-CD2 4.47Å; E239-L277 PolarHBondContact O-N 2.74Å; I240-L277 HydrophobicContact CD1-CB 3.57Å; I240-L277 HydrophobicContact CG2-CB 4.21Å; I240-L277 HydrophobicContact CG2-CD2 4.12Å; Q241-L277 WeakPolarHBondContact CB-O 3.22Å; Q241-L277 PolarHBondContact N-O 3.45Å; F243-L277 HydrophobicContact CE1-CD2 4.11Å; F243-L277 HydrophobicContact CE1-CG 3.85Å; F243-L277 HydrophobicContact CZ-CD1 4.11Å; F243-L277 HydrophobicContact CZ-CD2 4.11Å; F243-L277 HydrophobicContact CZ-CG 3.8Å; L277-L284 HydrophobicContact CD1-CD1 4.24Å; L277-L285 WeakPolarHBondContact CA-O 3.31Å; L277-L286 HydrophobicContact CD1-CB 4.2Å; L277-L286 HydrophobicContact CD1-CD1 4.37Å
278F96.5Very high94.2Very high36 Ų3645.7 Ų45.716%0.15823%0.233CC..EExtended strand (participates in β ladder)trans-121.9144-176.9-63.4-68.3000111.7E239 E276 L284 L285E239-F278 HydrophobicContact CB-CZ 4.48Å; E239-F278 HydrophobicContact CG-CE1 4.05Å; E239-F278 HydrophobicContact CG-CZ 3.99Å; E276-F278 HydrophobicContact CB-CD2 4.11Å; E276-F278 HydrophobicContact CB-CE2 3.51Å; E276-F278 HydrophobicContact CB-CZ 4.12Å; E276-F278 HydrophobicContact CG-CE2 4.21Å; F278-L284 CarbonylContact O-C 3.59Å; F278-L284 WeakPolarHBondContact O-CA 3.4Å; F278-L285 HydrophobicContact CB-CB 4.5Å; F278-L285 PolarHBondContact N-O 2.92Å; F278-L285 PolarHBondContact O-N 3.32Å
279N94Very high94.6Very high55 Ų5549.2 Ų49.229%0.29425%0.249SC..EExtended strand (participates in β ladder)trans-93.1122.6167-169.33.1000109Q241 F243 L339Q241-N279 PolarHBondContact OE1-O 3.28Å; F243-N279 HydrophobicContact CB-CB 4.21Å; F243-N279 HydrophobicContact CD1-CB 3.69Å; F243-N279 HydrophobicContact CD2-CB 3.89Å; F243-N279 HydrophobicContact CE1-CB 3.92Å; F243-N279 HydrophobicContact CE2-CB 4.11Å; F243-N279 HydrophobicContact CG-CB 3.67Å; F243-N279 HydrophobicContact CZ-CB 4.12Å; N279-L339 WeakPolarHBondContact OD1-CD1 3.44Å
280K91.1Very high95Very high89 Ų8943.6 Ų43.639%0.38722%0.219SC..EExtended strand (participates in β ladder)trans-115165.2171.1-56.9-61.6-179.3-1700108.3D282 Y283K280-D282 VanDerWaalsContact C-N 3.26Å; K280-D282 PolarHBondContact O-N 2.98Å; K280-Y283 CarbonylContact C-O 3.58Å; K280-Y283 WeakPolarHBondContact CA-O 3.32Å; K280-Y283 HydrophobicContact CB-CD1 4.06Å; K280-Y283 HydrophobicContact CB-CD2 4.15Å; K280-Y283 HydrophobicContact CB-CE1 3.77Å; K280-Y283 HydrophobicContact CB-CE2 3.87Å; K280-Y283 HydrophobicContact CB-CG 4.24Å; K280-Y283 VanDerWaalsContact CB-O 3.28Å; K280-Y283 WeakPolarHBondContact CB-O 3.37Å; K280-Y283 HydrophobicContact CG-CD2 4.31Å; K280-Y283 HydrophobicContact CG-CE1 4.34Å; K280-Y283 HydrophobicContact CG-CE2 3.69Å; K280-Y283 PolarHBondContact N-O 2.68Å; K280-Y283 PolarHBondContact O-N 3.16Å; K280-Y283 VanDerWaalsContact O-O 3.05Å
281D83.1Confident95.3Very high111 Ų11146.5 Ų46.559%0.59423%0.23SC*.THydrogen-bonded Turntrans-54-37.2-166.6-75.1-55000115.4K341D281-K341 WeakPolarHBondContact O-CE 3.22Å; D281-K341 PolarHBondContact O-NZ 3.19Å; D281-K341 IonicContact OD1-NZ 3.09Å; D281-K341 PolarHBondContact OD1-NZ 3.12Å
282D87.2Confident95.3Very high125 Ų12542 Ų4267%0.66820%0.204SC*.THydrogen-bonded Turntrans-120.2-0.2-177.2-53-49.3000113.4K280 L339K280-D282 VanDerWaalsContact C-N 3.26Å; K280-D282 PolarHBondContact O-N 2.98Å; D282-L339 PolarHBondContact O-N 3.4Å
283Y92.8Very high95.2Very high82 Ų8243 Ų4332%0.32221%0.208SC..EExtended strand (participates in β ladder)trans-158.2153.3-173.265.8-85.6000112.3K280 L285 K336 A337K280-Y283 CarbonylContact C-O 3.58Å; K280-Y283 WeakPolarHBondContact CA-O 3.32Å; K280-Y283 HydrophobicContact CB-CD1 4.06Å; K280-Y283 HydrophobicContact CB-CD2 4.15Å; K280-Y283 HydrophobicContact CB-CE1 3.77Å; K280-Y283 HydrophobicContact CB-CE2 3.87Å; K280-Y283 HydrophobicContact CB-CG 4.24Å; K280-Y283 VanDerWaalsContact CB-O 3.28Å; K280-Y283 WeakPolarHBondContact CB-O 3.37Å; K280-Y283 HydrophobicContact CG-CD2 4.31Å; K280-Y283 HydrophobicContact CG-CE1 4.34Å; K280-Y283 HydrophobicContact CG-CE2 3.69Å; K280-Y283 PolarHBondContact N-O 2.68Å; K280-Y283 PolarHBondContact O-N 3.16Å; K280-Y283 VanDerWaalsContact O-O 3.05Å; Y283-L285 HydrophobicContact CD2-CB 4.45Å; Y283-L285 HydrophobicContact CE2-CB 4.17Å; Y283-K336 HydrophobicContact CD2-CB 4.07Å; Y283-K336 HydrophobicContact CD2-CD 4.34Å; Y283-K336 HydrophobicContact CD2-CG 4.14Å; Y283-K336 HydrophobicContact CE2-CD 4.09Å; Y283-K336 HydrophobicContact CE2-CG 4.19Å; Y283-A337 CarbonylContact C-O 3.52Å; Y283-A337 WeakPolarHBondContact CA-O 3.18Å; Y283-A337 VanDerWaalsContact CB-O 3.27Å; Y283-A337 WeakPolarHBondContact CB-O 3.42Å
284L95.3Very high95Very high0 Ų043.5 Ų43.50%021%0.213CC..EExtended strand (participates in β ladder)trans-89.8147.516267.790.3000110.4F243 V245 I249 L253 L277 F278 K336 A337 L339F243-L284 HydrophobicContact CE2-CB 3.93Å; F243-L284 HydrophobicContact CZ-CB 3.99Å; V245-L284 HydrophobicContact CG1-CD2 3.98Å; V245-L284 HydrophobicContact CG2-CD2 4.41Å; I249-L284 HydrophobicContact CD1-CD2 3.6Å; L253-L284 HydrophobicContact CD1-CD1 3.61Å; L253-L284 HydrophobicContact CD1-CD2 3.79Å; L253-L284 HydrophobicContact CD1-CG 4.37Å; L253-L284 HydrophobicContact CD2-CD1 4.3Å; L277-L284 HydrophobicContact CD1-CD1 4.24Å; F278-L284 CarbonylContact O-C 3.59Å; F278-L284 WeakPolarHBondContact O-CA 3.4Å; L284-K336 VanDerWaalsContact O-CA 3.31Å; L284-K336 WeakPolarHBondContact O-CA 3.49Å; L284-A337 HydrophobicContact CD1-CB 4.06Å; L284-A337 HydrophobicContact CD2-CB 4.19Å; L284-A337 HydrophobicContact CG-CB 3.91Å; L284-A337 PolarHBondContact N-O 3.41Å; L284-A337 PolarHBondContact O-N 2.75Å; L284-A337 VanDerWaalsContact O-N 3.13Å; L284-L339 HydrophobicContact CB-CD1 3.73Å; L284-L339 HydrophobicContact CB-CG 4.06Å; L284-L339 HydrophobicContact CD2-CD1 4.4Å; L284-L339 HydrophobicContact CD2-CD2 3.94Å; L284-L339 HydrophobicContact CD2-CG 4.1Å; L284-L339 HydrophobicContact CG-CG 4.37Å
285L96.5Very high94.6Very high12 Ų1244.6 Ų44.66%0.06322%0.216CC..EExtended strand (participates in β ladder)trans-117.6115172.5175.366.7000109.4L277 F278 Y283 E334 K336L277-L285 WeakPolarHBondContact CA-O 3.31Å; F278-L285 HydrophobicContact CB-CB 4.5Å; F278-L285 PolarHBondContact N-O 2.92Å; F278-L285 PolarHBondContact O-N 3.32Å; Y283-L285 HydrophobicContact CD2-CB 4.45Å; Y283-L285 HydrophobicContact CE2-CB 4.17Å; L285-E334 HydrophobicContact CD1-CB 4.25Å; L285-E334 HydrophobicContact CD1-CG 4.47Å; L285-K336 HydrophobicContact CD1-CD 4.46Å; L285-K336 HydrophobicContact CD1-CG 3.67Å
286L98.1Very high94.2Very high0 Ų047.6 Ų47.60%023%0.232CC..EExtended strand (participates in β ladder)trans-97.6121.8165.2173.367.1000108.3I221 L253 I256 T257 V275 E276 L277 I288 E334 V335I221-L286 HydrophobicContact CD1-CD1 4.23Å; L253-L286 HydrophobicContact CB-CD2 4.31Å; L253-L286 HydrophobicContact CD2-CD2 4.04Å; I256-L286 HydrophobicContact CG2-CD2 4.36Å; T257-L286 WeakPolarHBondContact OG1-CD2 3.47Å; V275-L286 HydrophobicContact CG1-CD1 4.31Å; E276-L286 CarbonylContact O-C 3.26Å; E276-L286 WeakPolarHBondContact O-CA 3.41Å; L277-L286 HydrophobicContact CD1-CB 4.2Å; L277-L286 HydrophobicContact CD1-CD1 4.37Å; L286-I288 HydrophobicContact CD1-CD1 4.05Å; L286-I288 HydrophobicContact CD2-CD1 4Å; L286-I288 HydrophobicContact CG-CD1 3.73Å; L286-E334 CarbonylContact O-C 3.57Å; L286-E334 WeakPolarHBondContact O-CA 3.28Å; L286-V335 HydrophobicContact CB-CB 4.32Å; L286-V335 PolarHBondContact N-O 2.82Å; L286-V335 PolarHBondContact O-N 2.81Å
287R98.3Very high93.6Very high58 Ų5847.3 Ų47.322%0.21923%0.232CC..EExtended strand (participates in β ladder)trans-122.2131.4174.3-176.9-176-60.9142.4-8.4110.3V275 E276 R332 I333 E334V275-R287 CarbonylContact C-O 3.58Å; V275-R287 WeakPolarHBondContact CA-O 3.41Å; E276-R287 HydrophobicContact CB-CB 4.24Å; E276-R287 PolarHBondContact N-O 3.25Å; E276-R287 PolarHBondContact O-N 3.35Å; E276-R287 VanDerWaalsContact OE2-CD 3.24Å; E276-R287 WeakPolarHBondContact OE2-CD 3.33Å; E276-R287 IonicContact OE2-CZ 3.9Å; E276-R287 IonicContact OE2-NE 3.22Å; E276-R287 IonicContact OE2-NH1 3.38Å; E276-R287 PolarHBondContact OE2-NH1 3.5Å; R287-R332 HydrophobicContact CG-CG 4.02Å; R287-I333 CarbonylContact C-O 3.6Å; R287-I333 VanDerWaalsContact CA-O 3.32Å; R287-I333 WeakPolarHBondContact CA-O 3.24Å; R287-E334 HydrophobicContact CB-CG 4.32Å; R287-E334 HydrophobicContact CG-CG 3.97Å; R287-E334 IonicContact CZ-OE1 3.3Å; R287-E334 VanDerWaalsContact CZ-OE1 3.3Å; R287-E334 IonicContact NE-OE1 2.75Å; R287-E334 PolarHBondContact NE-OE1 2.91Å; R287-E334 IonicContact NH2-OE1 2.96Å; R287-E334 PolarHBondContact NH2-OE1 2.8Å
288I98.2Very high92.9Very high3 Ų354.3 Ų54.32%0.01527%0.27CS..EExtended strand (participates in β ladder)trans-121.8123.2170.1-5594.4000108.1A260 V273 T274 V275 L286 R332 I333A260-I288 HydrophobicContact CB-CB 4.06Å; A260-I288 HydrophobicContact CB-CD1 4.09Å; A260-I288 HydrophobicContact CB-CG1 4.06Å; A260-I288 HydrophobicContact CB-CG2 3.97Å; V273-I288 HydrophobicContact CG2-CG2 3.89Å; T274-I288 WeakPolarHBondContact O-CA 3.35Å; V275-I288 HydrophobicContact CG1-CG1 4.3Å; V275-I288 HydrophobicContact CG2-CG1 4.47Å; V275-I288 HydrophobicContact CG2-CG2 4.41Å; L286-I288 HydrophobicContact CD1-CD1 4.05Å; L286-I288 HydrophobicContact CD2-CD1 4Å; L286-I288 HydrophobicContact CG-CD1 3.73Å; I288-R332 CarbonylContact O-C 3.57Å; I288-R332 WeakPolarHBondContact O-CA 3.05Å; I288-I333 PolarHBondContact N-O 3.25Å; I288-I333 PolarHBondContact O-N 2.84Å
289Q97.5Very high92.1Very high83 Ų8359 Ų5939%0.38829%0.292SS..EExtended strand (participates in β ladder)trans-133.8131.2-177.8-175.8171.61700111.9V273 T274 T331 R332V273-Q289 CarbonylContact C-O 3.54Å; V273-Q289 WeakPolarHBondContact CA-O 3.42Å; T274-Q289 PolarHBondContact N-O 3.31Å; T274-Q289 PolarHBondContact O-N 3.41Å; Q289-T331 WeakPolarHBondContact CA-O 3.14Å; Q289-R332 HydrophobicContact CB-CB 4.34Å; Q289-R332 HydrophobicContact CB-CG 4.32Å; Q289-R332 HydrophobicContact CG-CB 4.11Å; Q289-R332 HydrophobicContact CG-CG 4.47Å
290D96.9Very high91.4Very high12 Ų1260.6 Ų60.66%0.06430%0.296CS..EExtended strand (participates in β ladder)trans-114.8162.7170.172.7-106.3000112.4T264 K272 V273 G292 G330 T331T264-D290 HydrophobicContact CG2-CB 3.46Å; T264-D290 VanDerWaalsContact CG2-CB 3.46Å; T264-D290 PolarHBondContact OG1-OD1 3.48Å; K272-D290 WeakPolarHBondContact O-CA 3.47Å; V273-D290 HydrophobicContact CG2-CB 4.35Å; D290-G292 WeakPolarHBondContact OD2-CA 3.43Å; D290-G292 PolarHBondContact OD2-N 2.9Å; D290-G330 WeakPolarHBondContact O-CA 3.16Å; D290-T331 PolarHBondContact N-O 2.9Å; D290-T331 WeakPolarHBondContact OD1-CB 3.47Å; D290-T331 PolarHBondContact OD2-N 3.38Å
291N96Very high90.6Very high80 Ų8058.3 Ų58.343%0.42829%0.288SS..  trans-106.829.617771.6-24.6000112.5T271 K272T271-N291 PolarHBondContact N-OD1 3.45Å; T271-N291 PolarHBondContact OG1-ND2 2.93Å; K272-N291 PolarHBondContact N-OD1 3.42Å; K272-N291 PolarHBondContact O-N 3.21Å; K272-N291 PolarHBondContact O-OD1 2.89Å; K272-N291 VanDerWaalsContact O-OD1 3.05Å
292G94.5Very high90.1Very high7 Ų759.6 Ų59.67%0.07229%0.291CS..SBendtrans-80-163.2-177.700000114.4S268 D290 G294 G330S268-G292 CarbonylContact O-C 3.45Å; S268-G292 WeakPolarHBondContact O-CA 3.33Å; D290-G292 WeakPolarHBondContact OD2-CA 3.43Å; D290-G292 PolarHBondContact OD2-N 2.9Å; G292-G294 PolarHBondContact O-N 3Å; G292-G330 WeakPolarHBondContact O-CA 3.33Å; G292-G330 PolarHBondContact O-N 2.85Å
293K93.6Very high89.6Confident99 Ų9961.1 Ų61.143%0.4329%0.294SS..  trans-70.1-9.6-179.376-169.9-170.3-165.10114.7H267 S268 P327 D328H267-K293 WeakPolarHBondContact O-CE 3.4Å; H267-K293 PolarHBondContact O-NZ 2.62Å; S268-K293 PolarHBondContact O-N 3.41Å; K293-P327 CarbonylContact O-C 3.6Å; K293-P327 WeakPolarHBondContact O-CA 3.37Å; K293-D328 WeakPolarHBondContact O-CA 3.2Å; K293-D328 PolarHBondContact O-N 3.49Å
294G92.5Very high89.1Confident9 Ų958.6 Ų58.69%0.09329%0.288CS..  trans52.4-167.1-174.100000114.5G292 S325 L326 G330G292-G294 PolarHBondContact O-N 3Å; G294-S325 WeakPolarHBondContact CA-OG 3.24Å; G294-L326 WeakPolarHBondContact CA-O 3.43Å; G294-G330 WeakPolarHBondContact CA-O 3.35Å
295F91.5Very high88.3Confident44 Ų4467.6 Ų67.619%0.19332%0.323CS..  trans-164.3166.2177.157-86000111.4V297 K300 L307 I323 S325 T331F295-V297 HydrophobicContact CE2-CG2 4.32Å; F295-V297 PolarHBondContact O-N 3.06Å; F295-K300 HydrophobicContact CB-CD 4.44Å; F295-K300 HydrophobicContact CD2-CB 3.84Å; F295-K300 HydrophobicContact CD2-CD 3.88Å; F295-K300 HydrophobicContact CD2-CG 4.36Å; F295-K300 HydrophobicContact CE2-CB 4.06Å; F295-K300 HydrophobicContact CE2-CD 4.34Å; F295-K300 HydrophobicContact CG-CD 4.19Å; F295-L307 HydrophobicContact CE2-CD1 4.01Å; F295-L307 HydrophobicContact CZ-CD1 3.92Å; F295-I323 HydrophobicContact CE2-CD1 4.41Å; F295-I323 HydrophobicContact CZ-CD1 3.67Å; F295-S325 PolarHBondContact N-OG 2.9Å; F295-S325 CarbonylContact O-C 3.47Å; F295-S325 VanDerWaalsContact O-C 3.26Å; F295-S325 WeakPolarHBondContact O-CB 3.23Å; F295-S325 VanDerWaalsContact O-O 3.13Å; F295-S325 PolarHBondContact O-OG 2.9Å; F295-T331 HydrophobicContact CE1-CG2 3.91Å; F295-T331 WeakPolarHBondContact CE1-OG1 3.49Å; F295-T331 HydrophobicContact CZ-CG2 4.35Å
296N88.5Confident87.8Confident63 Ų6367.6 Ų67.634%0.33733%0.326SS..  trans-74.7114169.8-171.9-9.1000110.2D298 E299 K300N296-D298 PolarHBondContact O-N 3.35Å; N296-D298 PolarHBondContact OD1-N 2.88Å; N296-E299 HydrophobicContact CB-CB 4.35Å; N296-E299 HydrophobicContact CB-CG 4.26Å; N296-E299 PolarHBondContact ND2-OE1 2.9Å; N296-K300 PolarHBondContact O-N 2.82Å
297V85.6Confident87.4Confident24 Ų2468 Ų6815%0.14533%0.328CS..Hα-helixtrans-62.7-42.3-177.3176.60000111.6F295 E299 K300 L301 I323F295-V297 HydrophobicContact CE2-CG2 4.32Å; F295-V297 PolarHBondContact O-N 3.06Å; V297-E299 VanDerWaalsContact C-N 3.25Å; V297-E299 PolarHBondContact O-N 2.82Å; V297-K300 PolarHBondContact O-N 3.3Å; V297-K300 VanDerWaalsContact O-N 3.14Å; V297-L301 HydrophobicContact CG1-CB 4.43Å; V297-L301 WeakPolarHBondContact O-CB 3.49Å; V297-L301 PolarHBondContact O-N 2.79Å; V297-I323 HydrophobicContact CG1-CG2 3.76Å
298D82.8Confident86.9Confident148 Ų14869.9 Ų69.979%0.79134%0.338SS*.Hα-helixtrans-64.9-31.2-173.8-65.2-31.2000112.3N296N296-D298 PolarHBondContact O-N 3.35Å; N296-D298 PolarHBondContact OD1-N 2.88Å
299E80.2Confident86.4Confident135 Ų13573.3 Ų73.363%0.63136%0.357SS*.Hα-helixtrans-77.1-31.2177.7-71.5171-157.700112.7N296 V297N296-E299 HydrophobicContact CB-CB 4.35Å; N296-E299 HydrophobicContact CB-CG 4.26Å; N296-E299 PolarHBondContact ND2-OE1 2.9Å; V297-E299 VanDerWaalsContact C-N 3.25Å; V297-E299 PolarHBondContact O-N 2.82Å
300K79.2Confident86.2Confident88 Ų8869.5 Ų69.538%0.38334%0.339SS..Hα-helixtrans-110.2-21.3-162.9-156.1162.1-173.2175.80114.8F295 N296 V297 E302 Q303 S304F295-K300 HydrophobicContact CB-CD 4.44Å; F295-K300 HydrophobicContact CD2-CB 3.84Å; F295-K300 HydrophobicContact CD2-CD 3.88Å; F295-K300 HydrophobicContact CD2-CG 4.36Å; F295-K300 HydrophobicContact CE2-CB 4.06Å; F295-K300 HydrophobicContact CE2-CD 4.34Å; F295-K300 HydrophobicContact CG-CD 4.19Å; N296-K300 PolarHBondContact O-N 2.82Å; V297-K300 PolarHBondContact O-N 3.3Å; V297-K300 VanDerWaalsContact O-N 3.14Å; K300-E302 VanDerWaalsContact C-N 3.35Å; K300-E302 PolarHBondContact O-N 2.81Å; K300-Q303 PolarHBondContact O-N 3.22Å; K300-S304 VanDerWaalsContact O-CB 3.24Å; K300-S304 WeakPolarHBondContact O-CB 3.2Å; K300-S304 PolarHBondContact O-N 2.83Å
301L75.5Confident86Confident41 Ų4174 Ų7422%0.21536%0.355CS..THydrogen-bonded Turntrans-60.1-42.6-175.5-167.271.4000112.6V297 L307 I323V297-L301 HydrophobicContact CG1-CB 4.43Å; V297-L301 WeakPolarHBondContact O-CB 3.49Å; V297-L301 PolarHBondContact O-N 2.79Å; L301-L307 HydrophobicContact CD1-CB 4.16Å; L301-L307 HydrophobicContact CD1-CD1 4.18Å; L301-I323 HydrophobicContact CD1-CG2 3.98Å
302E72.8Confident85.9Confident138 Ų13874.2 Ų74.265%0.64535%0.353SS*.THydrogen-bonded Turntrans-81.8-21.1-178.9-68.5-63.4144.900113.2K300 R311K300-E302 VanDerWaalsContact C-N 3.35Å; K300-E302 PolarHBondContact O-N 2.81Å; E302-R311 IonicContact OE1-NH1 4Å
303Q74.9Confident85.8Confident158 Ų15877.8 Ų77.874%0.73837%0.365SS*.THydrogen-bonded Turntrans-91.6-22.5-179.6-62.6-174.7-3.100113.2K300K300-Q303 PolarHBondContact O-N 3.22Å
304S82.1Confident85.8Confident29 Ų2973.1 Ų73.120%0.20334%0.344CS..  trans-91.3106.9-175.9-1780000112K300 G306 L307 K308K300-S304 VanDerWaalsContact O-CB 3.24Å; K300-S304 WeakPolarHBondContact O-CB 3.2Å; K300-S304 PolarHBondContact O-N 2.83Å; S304-G306 PolarHBondContact O-N 3.47Å; S304-L307 PolarHBondContact O-N 3.38Å; S304-K308 PolarHBondContact O-N 2.84Å; S304-K308 VanDerWaalsContact O-N 3.08Å
305Y79.2Confident85.9Confident188 Ų18877.5 Ų77.574%0.73737%0.365SS*.Hα-helixtrans-53.6-39.7173.8-73.7-80.2000112.9K308 N309Y305-K308 PolarHBondContact O-N 2.68Å; Y305-N309 WeakPolarHBondContact O-CB 3.41Å; Y305-N309 PolarHBondContact O-N 2.76Å; Y305-N309 PolarHBondContact O-ND2 3.09Å; Y305-N309 PolarHBondContact O-OD1 2.85Å
306G85.2Confident85.9Confident12 Ų1281.7 Ų81.712%0.12439%0.385CS..Hα-helixtrans-63.9-43.7179.400000113.1E259 S304 N309 M310E259-G306 WeakPolarHBondContact OE1-CA 3.27Å; S304-G306 PolarHBondContact O-N 3.47Å; G306-N309 PolarHBondContact O-N 3.37Å; G306-M310 WeakPolarHBondContact O-CG 3.29Å; G306-M310 PolarHBondContact O-N 2.96Å; G306-M310 VanDerWaalsContact O-N 3.09Å
307L90.3Very high86Confident9 Ų979.9 Ų79.95%0.04738%0.375CS..Hα-helixtrans-67.2-41.1177.4-64.1-178.4000111.7F295 L301 S304 M310 R311 I323F295-L307 HydrophobicContact CE2-CD1 4.01Å; F295-L307 HydrophobicContact CZ-CD1 3.92Å; L301-L307 HydrophobicContact CD1-CB 4.16Å; L301-L307 HydrophobicContact CD1-CD1 4.18Å; S304-L307 PolarHBondContact O-N 3.38Å; L307-M310 HydrophobicContact CD2-CE 3.51Å; L307-M310 PolarHBondContact O-N 2.91Å; L307-R311 PolarHBondContact O-N 3.19Å; L307-I323 HydrophobicContact CD1-CD1 4.24Å; L307-I323 HydrophobicContact CD2-CD1 3.78Å
308K88.7Confident86.3Confident98 Ų9881.4 Ų81.443%0.42640%0.396SS..Hα-helixtrans-60.7-47.1175.9-177.8174.7173.6175.40111.5S304 Y305 M310 R311 E312S304-K308 PolarHBondContact O-N 2.84Å; S304-K308 VanDerWaalsContact O-N 3.08Å; Y305-K308 PolarHBondContact O-N 2.68Å; K308-M310 VanDerWaalsContact C-N 3.34Å; K308-M310 PolarHBondContact O-N 3.4Å; K308-R311 PolarHBondContact O-N 2.83Å; K308-E312 WeakPolarHBondContact CE-OE1 3.37Å; K308-E312 HydrophobicContact CG-CG 4.44Å; K308-E312 IonicContact NZ-OE1 3.65Å; K308-E312 WeakPolarHBondContact O-CG 3.41Å; K308-E312 PolarHBondContact O-N 3.27Å
309N87.5Confident86.8Confident75 Ų7574.5 Ų74.540%0.40136%0.36SS..Hα-helixtrans-61.2-41178.1-71.8-6.8000112.1Y305 G306 E312 R313Y305-N309 WeakPolarHBondContact O-CB 3.41Å; Y305-N309 PolarHBondContact O-N 2.76Å; Y305-N309 PolarHBondContact O-ND2 3.09Å; Y305-N309 PolarHBondContact O-OD1 2.85Å; G306-N309 PolarHBondContact O-N 3.37Å; N309-E312 PolarHBondContact O-N 3.5Å; N309-R313 WeakPolarHBondContact O-CB 3.15Å; N309-R313 VanDerWaalsContact O-CG 3.3Å; N309-R313 WeakPolarHBondContact O-CG 3.26Å; N309-R313 PolarHBondContact O-N 2.93Å
310M93Very high87.5Confident2 Ų272.2 Ų72.21%0.0136%0.355CS..Hα-helixtrans-63.3-42.9175.2-71.8-169.5-75.600112.1I256 E259 A260 G306 L307 K308 R313 A314 F321 I333I256-M310 HydrophobicContact CG1-CB 4.3Å; I256-M310 HydrophobicContact CG1-CG 4.34Å; I256-M310 HydrophobicContact CG2-CB 4.46Å; I256-M310 HydrophobicContact CG2-CG 4.28Å; I256-M310 HydrophobicContact CG2-SD 4.02Å; E259-M310 HydrophobicContact CB-CG 3.85Å; E259-M310 HydrophobicContact CB-SD 3.82Å; E259-M310 HydrophobicContact CG-CE 4.02Å; E259-M310 HydrophobicContact CG-CG 3.52Å; E259-M310 HydrophobicContact CG-SD 3.67Å; A260-M310 HydrophobicContact CB-SD 4.1Å; G306-M310 WeakPolarHBondContact O-CG 3.29Å; G306-M310 PolarHBondContact O-N 2.96Å; G306-M310 VanDerWaalsContact O-N 3.09Å; L307-M310 HydrophobicContact CD2-CE 3.51Å; L307-M310 PolarHBondContact O-N 2.91Å; K308-M310 VanDerWaalsContact C-N 3.34Å; K308-M310 PolarHBondContact O-N 3.4Å; M310-R313 PolarHBondContact O-N 2.88Å; M310-A314 PolarHBondContact O-N 2.9Å; M310-F321 HydrophobicContact CB-CD2 4.33Å; M310-F321 HydrophobicContact CB-CE2 3.59Å; M310-F321 HydrophobicContact CB-CZ 4Å; M310-F321 HydrophobicContact CE-CZ 4.43Å; M310-I333 HydrophobicContact CE-CD1 3.76Å; M310-I333 HydrophobicContact SD-CD1 4.2Å
311R93.2Very high88.3Confident106 Ų10669.7 Ų69.740%0.434%0.344SS..Hα-helixtrans-62.8-46.2176.5174.1179.2145.3-167.7-7.9111.5E302 L307 K308 A314 L315 F321E302-R311 IonicContact OE1-NH1 4Å; L307-R311 PolarHBondContact O-N 3.19Å; K308-R311 PolarHBondContact O-N 2.83Å; R311-A314 PolarHBondContact O-N 3.5Å; R311-L315 HydrophobicContact CG-CD1 4.03Å; R311-L315 VanDerWaalsContact O-CG 3.3Å; R311-L315 WeakPolarHBondContact O-CG 3.06Å; R311-L315 PolarHBondContact O-N 3.22Å; R311-F321 HydrophobicContact CB-CB 4.5Å; R311-F321 HydrophobicContact CB-CD1 3.94Å; R311-F321 HydrophobicContact CB-CE1 4.36Å; R311-F321 HydrophobicContact CB-CG 4.15Å; R311-F321 HydrophobicContact CG-CD1 4.4Å
312E93Very high89.2Confident86 Ų8672.9 Ų72.940%0.40236%0.358SS..Hα-helixtrans-59.5-47.5177.1-74.1174.9175.800111.2K308 N309 A314 L315 E316K308-E312 WeakPolarHBondContact CE-OE1 3.37Å; K308-E312 HydrophobicContact CG-CG 4.44Å; K308-E312 IonicContact NZ-OE1 3.65Å; K308-E312 WeakPolarHBondContact O-CG 3.41Å; K308-E312 PolarHBondContact O-N 3.27Å; N309-E312 PolarHBondContact O-N 3.5Å; E312-A314 VanDerWaalsContact C-N 3.31Å; E312-A314 PolarHBondContact O-N 3.15Å; E312-L315 PolarHBondContact O-N 3.14Å; E312-L315 VanDerWaalsContact O-N 3.12Å; E312-E316 WeakPolarHBondContact O-CG 3.42Å; E312-E316 PolarHBondContact O-N 3.13Å
313R91.8Very high90.3Very high82 Ų8267 Ų6731%0.30933%0.331SS..Hα-helixtrans-61.1-37.3177.1-74.4-176.8-177.9-68.6-5.1113.6R255 I256 N309 M310R255-R313 VanDerWaalsContact CD-CZ 3.49Å; I256-R313 HydrophobicContact CD1-CB 4.12Å; I256-R313 HydrophobicContact CG1-CB 4.19Å; N309-R313 WeakPolarHBondContact O-CB 3.15Å; N309-R313 VanDerWaalsContact O-CG 3.3Å; N309-R313 WeakPolarHBondContact O-CG 3.26Å; N309-R313 PolarHBondContact O-N 2.93Å; M310-R313 PolarHBondContact O-N 2.88Å
314A94.8Very high91.2Very high0 Ų062 Ų620%031%0.311CS..Hα-helixtrans-66.4-43.717500000110.8I256 M310 R311 E312 E316 I317 G318 A319 F321 V335I256-A314 HydrophobicContact CD1-CB 4.11Å; M310-A314 PolarHBondContact O-N 2.9Å; R311-A314 PolarHBondContact O-N 3.5Å; E312-A314 VanDerWaalsContact C-N 3.31Å; E312-A314 PolarHBondContact O-N 3.15Å; A314-E316 VanDerWaalsContact C-N 3.35Å; A314-E316 PolarHBondContact O-N 3.33Å; A314-I317 WeakPolarHBondContact O-CG1 3.45Å; A314-I317 PolarHBondContact O-N 2.77Å; A314-G318 PolarHBondContact O-N 2.9Å; A314-A319 HydrophobicContact CB-CB 4.27Å; A314-A319 WeakPolarHBondContact O-CA 3.48Å; A314-A319 VanDerWaalsContact O-CB 3.28Å; A314-A319 WeakPolarHBondContact O-CB 3.46Å; A314-A319 PolarHBondContact O-N 2.89Å; A314-F321 HydrophobicContact CB-CB 3.85Å; A314-F321 HydrophobicContact CB-CD2 4.32Å; A314-V335 HydrophobicContact CB-CG1 4.12Å
315L93.8Very high91.8Very high102 Ų10261 Ų6153%0.53430%0.304SS..Hα-helixtrans-65.1-36.5177.9-68.4170.9000112.4R311 E312 I317 G318R311-L315 HydrophobicContact CG-CD1 4.03Å; R311-L315 VanDerWaalsContact O-CG 3.3Å; R311-L315 WeakPolarHBondContact O-CG 3.06Å; R311-L315 PolarHBondContact O-N 3.22Å; E312-L315 PolarHBondContact O-N 3.14Å; E312-L315 VanDerWaalsContact O-N 3.12Å; L315-I317 PolarHBondContact O-N 3.06Å; L315-G318 PolarHBondContact O-N 3.18Å
316E91.9Very high92.4Very high132 Ų13257.3 Ų57.362%0.61730%0.296SS*.Hα-helixtrans-57.8-33176.4-77.7175.2161.300113.1H252 E312 A314H252-E316 IonicContact CE1-OE2 2.96Å; H252-E316 PolarHBondContact CE1-OE2 2.92Å; H252-E316 IonicContact ND1-OE2 2.8Å; H252-E316 PolarHBondContact ND1-OE2 2.93Å; E312-E316 WeakPolarHBondContact O-CG 3.42Å; E312-E316 PolarHBondContact O-N 3.13Å; A314-E316 VanDerWaalsContact C-N 3.35Å; A314-E316 PolarHBondContact O-N 3.33Å
317I90.7Very high92.7Very high24 Ų2460.5 Ų60.512%0.12332%0.315CS..THydrogen-bonded Turntrans-95.612.5177.862.9168.5000113.2I249 H252 L253 A314 L315 A319 A337I249-I317 HydrophobicContact CB-CB 4.33Å; I249-I317 HydrophobicContact CB-CD1 4.13Å; I249-I317 HydrophobicContact CB-CG2 4.31Å; I249-I317 HydrophobicContact CG2-CB 3.87Å; I249-I317 HydrophobicContact CG2-CD1 4.49Å; I249-I317 HydrophobicContact CG2-CG2 4.06Å; H252-I317 HydrophobicContact CB-CD1 4.15Å; H252-I317 HydrophobicContact CB-CG2 3.67Å; H252-I317 VanDerWaalsContact CD2-CG2 3.45Å; H252-I317 WeakPolarHBondContact CD2-CG2 3.49Å; H252-I317 VanDerWaalsContact CG-CG2 3.41Å; L253-I317 HydrophobicContact CD2-CD1 3.95Å; L253-I317 HydrophobicContact CG-CD1 4.01Å; A314-I317 WeakPolarHBondContact O-CG1 3.45Å; A314-I317 PolarHBondContact O-N 2.77Å; L315-I317 PolarHBondContact O-N 3.06Å; I317-A319 HydrophobicContact CD1-CB 3.96Å; I317-A319 HydrophobicContact CG1-CB 3.77Å; I317-A319 PolarHBondContact O-N 2.77Å; I317-A337 HydrophobicContact CD1-CB 4.31Å
318G91.6Very high92.7Very high56 Ų5667 Ų6758%0.57735%0.349SS*.THydrogen-bonded Turntrans68.218.8-177.400000114.2A314 L315 P338A314-G318 PolarHBondContact O-N 2.9Å; L315-G318 PolarHBondContact O-N 3.18Å; G318-P338 WeakPolarHBondContact O-CD 3.31Å
319A94.2Very high93Very high4 Ų466.3 Ų66.33%0.03336%0.357CS..  trans-89.2160177.700000112.1A314 I317 V335 K336 A337A314-A319 HydrophobicContact CB-CB 4.27Å; A314-A319 WeakPolarHBondContact O-CA 3.48Å; A314-A319 VanDerWaalsContact O-CB 3.28Å; A314-A319 WeakPolarHBondContact O-CB 3.46Å; A314-A319 PolarHBondContact O-N 2.89Å; I317-A319 HydrophobicContact CD1-CB 3.96Å; I317-A319 HydrophobicContact CG1-CB 3.77Å; I317-A319 PolarHBondContact O-N 2.77Å; A319-V335 HydrophobicContact CB-CG1 3.82Å; A319-K336 CarbonylContact C-O 3.58Å; A319-K336 WeakPolarHBondContact CA-O 3.35Å; A319-K336 VanDerWaalsContact CB-O 3.27Å; A319-K336 WeakPolarHBondContact CB-O 3.41Å; A319-A337 HydrophobicContact CB-CB 3.69Å
320T95Very high93.3Very high86 Ų8662.9 Ų62.953%0.52834%0.339SS..EExtended strand (participates in β ladder)trans-93.7144.4168.1620000110V335 K336T320-V335 VanDerWaalsContact O-CA 3.28Å; T320-V335 WeakPolarHBondContact O-CA 3.14Å; T320-K336 PolarHBondContact N-O 2.96Å; T320-K336 PolarHBondContact O-N 3.22Å; T320-K336 WeakPolarHBondContact OG1-CB 3.36Å
321F95.3Very high93.5Very high35 Ų3563.5 Ų63.515%0.15434%0.343CS..EExtended strand (participates in β ladder)trans-121.9124177-179.4-88.3000109.5M310 R311 A314 I323 I333 V335M310-F321 HydrophobicContact CB-CD2 4.33Å; M310-F321 HydrophobicContact CB-CE2 3.59Å; M310-F321 HydrophobicContact CB-CZ 4Å; M310-F321 HydrophobicContact CE-CZ 4.43Å; R311-F321 HydrophobicContact CB-CB 4.5Å; R311-F321 HydrophobicContact CB-CD1 3.94Å; R311-F321 HydrophobicContact CB-CE1 4.36Å; R311-F321 HydrophobicContact CB-CG 4.15Å; R311-F321 HydrophobicContact CG-CD1 4.4Å; A314-F321 HydrophobicContact CB-CB 3.85Å; A314-F321 HydrophobicContact CB-CD2 4.32Å; F321-I323 HydrophobicContact CE1-CB 4.22Å; F321-I323 HydrophobicContact CE1-CG2 4.29Å; F321-I333 HydrophobicContact CD2-CG2 4.33Å; F321-I333 HydrophobicContact CE2-CG2 3.52Å; F321-I333 HydrophobicContact CZ-CG2 3.86Å; F321-V335 HydrophobicContact CD2-CG2 3.77Å; F321-V335 HydrophobicContact CE2-CG2 4.34Å
322H95.1Very high93.6Very high108 Ų10862.3 Ų62.350%0.534%0.338SS..EExtended strand (participates in β ladder)trans-130.2138.5177.3-17060.9000110.6V324 I333 E334H322-V324 WeakPolarHBondContact NE2-CG2 3.4Å; H322-I333 CarbonylContact O-C 3.5Å; H322-I333 WeakPolarHBondContact O-CA 3.49Å; H322-E334 PolarHBondContact N-O 3.05Å; H322-E334 PolarHBondContact O-N 2.88Å
323I94.7Very high93.8Very high16 Ų1658.7 Ų58.78%0.08232%0.322CS..EExtended strand (participates in β ladder)trans-128.6130.8176.1-175167.8000109.4F295 V297 L301 L307 F321 T331 R332 I333F295-I323 HydrophobicContact CE2-CD1 4.41Å; F295-I323 HydrophobicContact CZ-CD1 3.67Å; V297-I323 HydrophobicContact CG1-CG2 3.76Å; L301-I323 HydrophobicContact CD1-CG2 3.98Å; L307-I323 HydrophobicContact CD1-CD1 4.24Å; L307-I323 HydrophobicContact CD2-CD1 3.78Å; F321-I323 HydrophobicContact CE1-CB 4.22Å; F321-I323 HydrophobicContact CE1-CG2 4.29Å; I323-T331 HydrophobicContact CD1-CG2 3.92Å; I323-T331 HydrophobicContact CG1-CG2 4.02Å; I323-R332 CarbonylContact C-O 3.46Å; I323-R332 WeakPolarHBondContact CA-O 3.38Å; I323-I333 HydrophobicContact CB-CG1 4.49Å; I323-I333 HydrophobicContact CD1-CD1 4.41Å; I323-I333 HydrophobicContact CD1-CG1 4.02Å; I323-I333 HydrophobicContact CG1-CG1 4.05Å
324V94.4Very high94.1Very high52 Ų5255.9 Ų55.932%0.31531%0.312SS..EExtended strand (participates in β ladder)trans-120.9118.5173.1-176.70000107.2H322 R332H322-V324 WeakPolarHBondContact NE2-CG2 3.4Å; V324-R332 PolarHBondContact N-O 2.96Å; V324-R332 PolarHBondContact O-N 3.43Å
325S94.6Very high94.3Very high8 Ų855.9 Ų55.96%0.05631%0.312CS..EExtended strand (participates in β ladder)trans-144.9140.7171.5-160.70000109.5G294 F295 G330 T331G294-S325 WeakPolarHBondContact CA-OG 3.24Å; F295-S325 PolarHBondContact N-OG 2.9Å; F295-S325 CarbonylContact O-C 3.47Å; F295-S325 VanDerWaalsContact O-C 3.26Å; F295-S325 WeakPolarHBondContact O-CB 3.23Å; F295-S325 VanDerWaalsContact O-O 3.13Å; F295-S325 PolarHBondContact O-OG 2.9Å; S325-G330 PolarHBondContact OG-O 2.85Å; S325-T331 PolarHBondContact OG-OG1 2.96Å
326L91.8Very high94.3Very high110 Ų11055 Ų5558%0.57630%0.304SS*.  trans-133.2148.4171.7-66.8170.3000107.5G294 D328 S329G294-L326 WeakPolarHBondContact CA-O 3.43Å; L326-D328 PolarHBondContact O-N 2.83Å; L326-S329 PolarHBondContact O-N 2.86Å; L326-S329 VanDerWaalsContact O-N 3.12Å
327P91.5Very high94.5Very high80 Ų8048.7 Ų48.752%0.51927%0.274SS..THydrogen-bonded Turntrans-48.8137171-26.735.3000111.8K293 S329K293-P327 CarbonylContact O-C 3.6Å; K293-P327 WeakPolarHBondContact O-CA 3.37Å; P327-S329 PolarHBondContact O-N 3.32Å; P327-S329 PolarHBondContact O-OG 3.07Å
328D90.6Very high94.4Very high145 Ų14551.4 Ų51.478%0.77529%0.294SS*.THydrogen-bonded Turntrans5617.1-178.4-55.4-46.9000115.9K293 L326K293-D328 WeakPolarHBondContact O-CA 3.2Å; K293-D328 PolarHBondContact O-N 3.49Å; L326-D328 PolarHBondContact O-N 2.83Å
329S93.8Very high94.2Very high84 Ų8449.8 Ų49.859%0.58727%0.272SS*.SBendtrans-124.711.6-176.1-53.70000114.2L326 P327L326-S329 PolarHBondContact O-N 2.86Å; L326-S329 VanDerWaalsContact O-N 3.12Å; P327-S329 PolarHBondContact O-N 3.32Å; P327-S329 PolarHBondContact O-OG 3.07Å
330G94.4Very high93.4Very high2 Ų253.6 Ų53.62%0.02129%0.292CS..  trans73.3-170.9-178.100000114.5D290 G292 G294 S325D290-G330 WeakPolarHBondContact O-CA 3.16Å; G292-G330 WeakPolarHBondContact O-CA 3.33Å; G292-G330 PolarHBondContact O-N 2.85Å; G294-G330 WeakPolarHBondContact CA-O 3.35Å; S325-G330 PolarHBondContact OG-O 2.85Å
331T96.5Very high92Very high15 Ų1554.8 Ų54.89%0.09229%0.289CS..EExtended strand (participates in β ladder)trans-131.1139.2177.8-56.90000109.9Q289 D290 F295 I323 S325 I333Q289-T331 WeakPolarHBondContact CA-O 3.14Å; D290-T331 PolarHBondContact N-O 2.9Å; D290-T331 WeakPolarHBondContact OD1-CB 3.47Å; D290-T331 PolarHBondContact OD2-N 3.38Å; F295-T331 HydrophobicContact CE1-CG2 3.91Å; F295-T331 WeakPolarHBondContact CE1-OG1 3.49Å; F295-T331 HydrophobicContact CZ-CG2 4.35Å; I323-T331 HydrophobicContact CD1-CG2 3.92Å; I323-T331 HydrophobicContact CG1-CG2 4.02Å; S325-T331 PolarHBondContact OG-OG1 2.96Å; T331-I333 HydrophobicContact CG2-CG1 4.38Å
332R97.1Very high90.2Very high81 Ų8160.4 Ų60.431%0.30632%0.316SS..EExtended strand (participates in β ladder)trans-127.7125.3172.7177.2175.153.6157.5-8.7109.8R287 I288 Q289 I323 V324 E334R287-R332 HydrophobicContact CG-CG 4.02Å; I288-R332 CarbonylContact O-C 3.57Å; I288-R332 WeakPolarHBondContact O-CA 3.05Å; Q289-R332 HydrophobicContact CB-CB 4.34Å; Q289-R332 HydrophobicContact CB-CG 4.32Å; Q289-R332 HydrophobicContact CG-CB 4.11Å; Q289-R332 HydrophobicContact CG-CG 4.47Å; I323-R332 CarbonylContact C-O 3.46Å; I323-R332 WeakPolarHBondContact CA-O 3.38Å; V324-R332 PolarHBondContact N-O 2.96Å; V324-R332 PolarHBondContact O-N 3.43Å; R332-E334 HydrophobicContact CG-CG 4.21Å; R332-E334 IonicContact CZ-OE1 3.71Å; R332-E334 IonicContact NH1-OE1 3.63Å; R332-E334 PolarHBondContact NH1-OE1 3.09Å
333I97.1Very high88.2Confident10 Ų1059.7 Ų59.75%0.05132%0.316CS..EExtended strand (participates in β ladder)trans-110131.4173.5-63.6173.2000107.8A260 R287 I288 M310 F321 H322 I323 T331 V335A260-I333 HydrophobicContact CB-CD1 3.95Å; R287-I333 CarbonylContact C-O 3.6Å; R287-I333 VanDerWaalsContact CA-O 3.32Å; R287-I333 WeakPolarHBondContact CA-O 3.24Å; I288-I333 PolarHBondContact N-O 3.25Å; I288-I333 PolarHBondContact O-N 2.84Å; M310-I333 HydrophobicContact CE-CD1 3.76Å; M310-I333 HydrophobicContact SD-CD1 4.2Å; F321-I333 HydrophobicContact CD2-CG2 4.33Å; F321-I333 HydrophobicContact CE2-CG2 3.52Å; F321-I333 HydrophobicContact CZ-CG2 3.86Å; H322-I333 CarbonylContact O-C 3.5Å; H322-I333 WeakPolarHBondContact O-CA 3.49Å; I323-I333 HydrophobicContact CB-CG1 4.49Å; I323-I333 HydrophobicContact CD1-CD1 4.41Å; I323-I333 HydrophobicContact CD1-CG1 4.02Å; I323-I333 HydrophobicContact CG1-CG1 4.05Å; T331-I333 HydrophobicContact CG2-CG1 4.38Å; I333-V335 HydrophobicContact CG2-CG2 4.47Å
334E97.7Very high86.1Confident23 Ų2361 Ų6111%0.10733%0.327CS..EExtended strand (participates in β ladder)trans-125129.3174.7-67.8-172.3170.500110L285 L286 R287 H322 R332L285-E334 HydrophobicContact CD1-CB 4.25Å; L285-E334 HydrophobicContact CD1-CG 4.47Å; L286-E334 CarbonylContact O-C 3.57Å; L286-E334 WeakPolarHBondContact O-CA 3.28Å; R287-E334 HydrophobicContact CB-CG 4.32Å; R287-E334 HydrophobicContact CG-CG 3.97Å; R287-E334 IonicContact CZ-OE1 3.3Å; R287-E334 VanDerWaalsContact CZ-OE1 3.3Å; R287-E334 IonicContact NE-OE1 2.75Å; R287-E334 PolarHBondContact NE-OE1 2.91Å; R287-E334 IonicContact NH2-OE1 2.96Å; R287-E334 PolarHBondContact NH2-OE1 2.8Å; H322-E334 PolarHBondContact N-O 3.05Å; H322-E334 PolarHBondContact O-N 2.88Å; R332-E334 HydrophobicContact CG-CG 4.21Å; R332-E334 IonicContact CZ-OE1 3.71Å; R332-E334 IonicContact NH1-OE1 3.63Å; R332-E334 PolarHBondContact NH1-OE1 3.09Å
335V97.6Very high83.7Confident0 Ų068 Ų680%035%0.349CS..EExtended strand (participates in β ladder)trans-120.5122.9172-1780000108.9L253 I256 L286 A314 A319 T320 F321 I333L253-V335 HydrophobicContact CD2-CB 4.39Å; L253-V335 HydrophobicContact CD2-CG1 3.75Å; I256-V335 HydrophobicContact CD1-CG2 4.37Å; I256-V335 HydrophobicContact CG2-CG2 4.05Å; L286-V335 HydrophobicContact CB-CB 4.32Å; L286-V335 PolarHBondContact N-O 2.82Å; L286-V335 PolarHBondContact O-N 2.81Å; A314-V335 HydrophobicContact CB-CG1 4.12Å; A319-V335 HydrophobicContact CB-CG1 3.82Å; T320-V335 VanDerWaalsContact O-CA 3.28Å; T320-V335 WeakPolarHBondContact O-CA 3.14Å; F321-V335 HydrophobicContact CD2-CG2 3.77Å; F321-V335 HydrophobicContact CE2-CG2 4.34Å; I333-V335 HydrophobicContact CG2-CG2 4.47Å
336K95.8Very high81Confident83 Ų8373.2 Ų73.236%0.36138%0.376SS..EExtended strand (participates in β ladder)trans-113.5113.4175.1-57.8174.9-177.4176.10109.4Y283 L284 L285 A319 T320Y283-K336 HydrophobicContact CD2-CB 4.07Å; Y283-K336 HydrophobicContact CD2-CD 4.34Å; Y283-K336 HydrophobicContact CD2-CG 4.14Å; Y283-K336 HydrophobicContact CE2-CD 4.09Å; Y283-K336 HydrophobicContact CE2-CG 4.19Å; L284-K336 VanDerWaalsContact O-CA 3.31Å; L284-K336 WeakPolarHBondContact O-CA 3.49Å; L285-K336 HydrophobicContact CD1-CD 4.46Å; L285-K336 HydrophobicContact CD1-CG 3.67Å; A319-K336 CarbonylContact C-O 3.58Å; A319-K336 WeakPolarHBondContact CA-O 3.35Å; A319-K336 VanDerWaalsContact CB-O 3.27Å; A319-K336 WeakPolarHBondContact CB-O 3.41Å; T320-K336 PolarHBondContact N-O 2.96Å; T320-K336 PolarHBondContact O-N 3.22Å; T320-K336 WeakPolarHBondContact OG1-CB 3.36Å
337A94.2Very high78.3Confident0 Ų079 Ų790%041%0.408CS..EExtended strand (participates in β ladder)trans-109.3135.8176.900000109.7I249 Y283 L284 I317 A319I249-A337 HydrophobicContact CD1-CB 4.35Å; Y283-A337 CarbonylContact C-O 3.52Å; Y283-A337 WeakPolarHBondContact CA-O 3.18Å; Y283-A337 VanDerWaalsContact CB-O 3.27Å; Y283-A337 WeakPolarHBondContact CB-O 3.42Å; L284-A337 HydrophobicContact CD1-CB 4.06Å; L284-A337 HydrophobicContact CD2-CB 4.19Å; L284-A337 HydrophobicContact CG-CB 3.91Å; L284-A337 PolarHBondContact N-O 3.41Å; L284-A337 PolarHBondContact O-N 2.75Å; L284-A337 VanDerWaalsContact O-N 3.13Å; I317-A337 HydrophobicContact CD1-CB 4.31Å; A319-A337 HydrophobicContact CB-CB 3.69Å
338P90.5Very high77.7Confident81 Ų8179 Ų7953%0.52640%0.402SS..EExtended strand (participates in β ladder)trans-61.5141.4177.626.9-33.5000110.5G318G318-P338 WeakPolarHBondContact O-CD 3.31Å
339L86.6Confident77Confident22 Ų2275.5 Ų75.512%0.11538%0.383CS..  trans-120.4118.1172.1-80.8-179.8000108.1F243 P246 I249 N279 D282 L284F243-L339 HydrophobicContact CD2-CD1 4.16Å; F243-L339 HydrophobicContact CE2-CD1 3.88Å; P246-L339 HydrophobicContact CG-CD2 4.4Å; I249-L339 HydrophobicContact CD1-CD2 4.48Å; N279-L339 WeakPolarHBondContact OD1-CD1 3.44Å; D282-L339 PolarHBondContact O-N 3.4Å; L284-L339 HydrophobicContact CB-CD1 3.73Å; L284-L339 HydrophobicContact CB-CG 4.06Å; L284-L339 HydrophobicContact CD2-CD1 4.4Å; L284-L339 HydrophobicContact CD2-CD2 3.94Å; L284-L339 HydrophobicContact CD2-CG 4.1Å; L284-L339 HydrophobicContact CG-CG 4.37Å
340N77.1Confident76.1Confident85 Ų8575 Ų7546%0.45537%0.371SS..  trans-82.7122.6166.9-170.510.1000108.4E342 D343N340-E342 PolarHBondContact O-N 3.06Å; N340-D343 WeakPolarHBondContact CB-OD2 3.25Å; N340-D343 PolarHBondContact O-N 2.99Å
341K64.9Low75Confident110 Ų11079.3 Ų79.348%0.47839%0.392SS..SBendtrans-64.2-26.1-179.4-81.6179.7175161.20112.2D281 D343 S344D281-K341 WeakPolarHBondContact O-CE 3.22Å; D281-K341 PolarHBondContact O-NZ 3.19Å; D281-K341 IonicContact OD1-NZ 3.09Å; D281-K341 PolarHBondContact OD1-NZ 3.12Å; K341-D343 PolarHBondContact O-N 2.85Å; K341-S344 PolarHBondContact O-N 2.86Å; K341-S344 PolarHBondContact O-OG 2.95Å
342E59.3Low73.7Confident154 Ų15483.3 Ų83.372%0.7241%0.411SS*.G310 helixtrans-63.6-38.1178.6-67.3-179165.500112.4N340 S344N340-E342 PolarHBondContact O-N 3.06Å; E342-S344 PolarHBondContact O-N 2.78Å
343D52.5Low72.1Confident92 Ų9283.5 Ų83.549%0.49242%0.418SS..G310 helixtrans-74.1-11.6-178.6-60.6-37.9000113.6N340 K341N340-D343 WeakPolarHBondContact CB-OD2 3.25Å; N340-D343 PolarHBondContact O-N 2.99Å; K341-D343 PolarHBondContact O-N 2.85Å
344S50.4Low70.3Confident45 Ų4588.7 Ų88.732%0.31544%0.444SS..G310 helixtrans-84.1-12.2-176.467.40000114.3K244 K341 E342K244-S344 WeakPolarHBondContact CD-O 3.39Å; K341-S344 PolarHBondContact O-N 2.86Å; K341-S344 PolarHBondContact O-OG 2.95Å; E342-S344 PolarHBondContact O-N 2.78Å
345Y44.7Very low68.2Low198 Ų19893.8 Ų93.878%0.77647%0.47SS*.  trans-106.62.8-176.2-77.5-79.3000115.7D347Y345-D347 PolarHBondContact O-N 3.48Å
346D36.5Very low65.8Low117 Ų117101.6 Ų101.663%0.62651%0.509SS*.  trans-77.8110.5178.4-83.1-11.3000112.2K244K244-D346 PolarHBondContact NZ-O 2.82Å
347D36.6Very low63Low232 Ų232103.3 Ų103.3100%1.24152%0.522SS*.  trans75.90172.7-61.5-22.5000119.3Y345Y345-D347 PolarHBondContact O-N 3.48Å

Retrieved 347 of 347 residues in 108.2 ms (Link to these results)

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