A0A087XC26_POEFO Loading...

Ubiquitin carboxyl-terminal hydrolase

AlphaFold DB , UniProt , Accession A0A087XC26, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 329 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
1M33.4Very low62.1Low247 Ų24785.3 Ų85.3100%1.21754%0.539SS*.  054.80-70.3-75.6-14100110.1
2S29.3Very low64.1Low120 Ų12084.5 Ų84.584%0.83952%0.523SS*.  trans-118.475.617153.50000106.4
3G36.2Very low66.1Low64 Ų6480.1 Ų80.166%0.6650%0.498SS*.  trans-65.2140.7179.900000110.5A5G3-A5 WeakPolarHBondContact O-CB 3.35Å; G3-A5 PolarHBondContact O-N 2.87Å
4S50.4Low68Low76 Ų7675.9 Ų75.953%0.53147%0.471SS..  trans-13.537.7149.9-170.90000118.7G6 E7S4-G6 PolarHBondContact O-N 3.22Å; S4-E7 PolarHBondContact O-N 2.92Å; S4-E7 PolarHBondContact OG-OE2 3.06Å
5A45.6Very low69.8Low79 Ų7971.3 Ų71.365%0.65344%0.442SS*.THydrogen-bonded Turntrans-72.83.2-166.500000114.3G3 R137G3-A5 WeakPolarHBondContact O-CB 3.35Å; G3-A5 PolarHBondContact O-N 2.87Å; A5-R137 PolarHBondContact O-NH1 2.89Å; A5-R137 PolarHBondContact O-NH2 3.06Å
6G60.3Low71.3Confident49 Ų4967 Ų6751%0.50542%0.416SS..THydrogen-bonded Turntrans-133.2-1.7177.700000115.9S4S4-G6 PolarHBondContact O-N 3.22Å
7E82.8Confident72.7Confident129 Ų12963.3 Ų63.360%0.60339%0.393SS*.PPolyproline II helixtrans-88152.5-176.3-68.3174.5153.100112.2S4 N141S4-E7 PolarHBondContact O-N 2.92Å; S4-E7 PolarHBondContact OG-OE2 3.06Å; E7-N141 PolarHBondContact O-ND2 3.45Å
8W88.3Confident74Confident9 Ų959.8 Ų59.83%0.03437%0.371CS..PPolyproline II helixtrans-102.6130.9174-71.371.7000109.3I84 N86 A87 T90 S131 I136 R137 H140W8-I84 HydrophobicContact CG-CG2 4.37Å; W8-N86 HydrophobicContact CB-CB 4.4Å; W8-N86 WeakPolarHBondContact O-CB 3.35Å; W8-N86 PolarHBondContact O-ND2 2.95Å; W8-N86 VanDerWaalsContact O-ND2 3.13Å; W8-A87 HydrophobicContact CD2-CB 3.69Å; W8-A87 HydrophobicContact CE3-CB 3.53Å; W8-A87 HydrophobicContact CG-CB 4.14Å; W8-A87 HydrophobicContact CZ3-CB 3.99Å; W8-T90 HydrophobicContact CH2-CG2 4.26Å; W8-T90 HydrophobicContact CZ3-CG2 3.93Å; W8-S131 PolarHBondContact NE1-O 3.04Å; W8-I136 HydrophobicContact CH2-CG2 3.95Å; W8-R137 HydrophobicContact CD2-CG 4.1Å; W8-R137 HydrophobicContact CG-CG 4.43Å; W8-R137 HydrophobicContact CH2-CB 4.15Å; W8-R137 HydrophobicContact CZ2-CB 3.74Å; W8-R137 HydrophobicContact CZ2-CG 4.02Å; W8-H140 HydrophobicContact CE3-CB 4.11Å; W8-H140 AromaticContact CE3-CD2 3.55Å; W8-H140 AromaticContact CE3-CE1 3.78Å; W8-H140 AromaticContact CE3-CG 3.55Å; W8-H140 AromaticContact CE3-ND1 3.7Å; W8-H140 AromaticContact CE3-NE2 3.7Å; W8-H140 HydrophobicContact CZ3-CB 3.8Å; W8-H140 AromaticContact CZ3-CG 3.66Å; W8-H140 AromaticContact CZ3-ND1 3.77Å
9C87.2Confident75.2Confident18 Ų1856.8 Ų56.812%0.12235%0.352CS..PPolyproline II helixtrans-80.9153.5-179.768.80000112.5N86 H140 N141 A144C9-N86 WeakPolarHBondContact O-CB 3.4Å; C9-H140 PolarHBondContact O-NE2 2.96Å; C9-H140 PolarHBondContact SG-CD2 3.08Å; C9-H140 PolarHBondContact SG-NE2 3.41Å; C9-N141 PolarHBondContact N-OD1 3.36Å; C9-N141 PolarHBondContact SG-OD1 3.11Å; C9-A144 HydrophobicContact CB-CB 3.53Å; C9-A144 WeakPolarHBondContact SG-CB 3.49Å
10L85.4Confident76.2Confident124 Ų12455.8 Ų55.865%0.64934%0.343SS*.PPolyproline II helixtrans-67.3135.6164.9-76.5170.5000109.7N86L10-N86 HydrophobicContact CD2-CB 3.96Å; L10-N86 WeakPolarHBondContact CD2-OD1 3.43Å; L10-N86 HydrophobicContact CG-CB 4.24Å
11M84.7Confident77.1Confident23 Ų2353.1 Ų53.111%0.11333%0.327CS..  trans-109.6142.3174.9-69.6-153.8-47.300112F18 L21 A89M11-F18 HydrophobicContact CE-CE1 4.34Å; M11-L21 HydrophobicContact CE-CD1 3.29Å; M11-L21 HydrophobicContact SD-CD1 3.52Å; M11-L21 VanDerWaalsContact SD-CD1 3.52Å; M11-L21 HydrophobicContact SD-CD2 4.15Å; M11-L21 HydrophobicContact SD-CG 4.42Å; M11-A89 HydrophobicContact CB-CB 4.33Å; M11-A89 HydrophobicContact CE-CB 3.37Å
12E86.1Confident80.1Confident76 Ų7641.4 Ų41.436%0.35527%0.269SS..  trans-74.6140.8172.5-175.4167-159.900110.3D14 R145 R288E12-D14 VanDerWaalsContact C-N 3.34Å; E12-D14 HydrophobicContact CG-CB 4.39Å; E12-D14 PolarHBondContact O-N 3.33Å; E12-R145 IonicContact OE1-NH2 2.76Å; E12-R145 PolarHBondContact OE1-NH2 3.19Å; E12-R145 IonicContact OE2-CZ 3.19Å; E12-R145 IonicContact OE2-NE 2.72Å; E12-R145 PolarHBondContact OE2-NE 2.98Å; E12-R145 IonicContact OE2-NH2 2.99Å; E12-R145 PolarHBondContact OE2-NH2 2.98Å; E12-R288 IonicContact OE2-NE 3.96Å
13S89.4Confident83.3Confident27 Ų2739.3 Ų39.319%0.18925%0.245CC..  trans-77.485.4175.1-156.20000109.4N219 M221S13-N219 VanDerWaalsContact OG-CG 3.31Å; S13-N219 PolarHBondContact OG-OD1 3.06Å; S13-M221 VanDerWaalsContact OG-CE 3.24Å; S13-M221 WeakPolarHBondContact OG-CE 3.33Å
14D93.2Very high86.1Confident22 Ų2238.1 Ų38.112%0.11823%0.233CC..  trans-134.3126.9-176.2179.1-84.2000110.2E12 G16 V17 F18 R288E12-D14 VanDerWaalsContact C-N 3.34Å; E12-D14 HydrophobicContact CG-CB 4.39Å; E12-D14 PolarHBondContact O-N 3.33Å; D14-G16 VanDerWaalsContact C-N 3.25Å; D14-G16 PolarHBondContact O-N 3.08Å; D14-G16 VanDerWaalsContact OD1-CA 3.25Å; D14-G16 WeakPolarHBondContact OD1-CA 3.46Å; D14-G16 PolarHBondContact OD1-N 3.35Å; D14-V17 HydrophobicContact CB-CB 4.06Å; D14-V17 HydrophobicContact CB-CG2 3.88Å; D14-V17 PolarHBondContact O-N 2.88Å; D14-V17 PolarHBondContact OD1-N 2.71Å; D14-F18 WeakPolarHBondContact O-CD1 3.26Å; D14-F18 PolarHBondContact O-N 3.12Å; D14-R288 VanDerWaalsContact CG-NH2 3.34Å; D14-R288 IonicContact OD1-CZ 3.64Å; D14-R288 IonicContact OD1-NH1 3.64Å; D14-R288 IonicContact OD1-NH2 3.8Å; D14-R288 IonicContact OD2-CZ 3.97Å; D14-R288 IonicContact OD2-NH2 3.84Å; D14-R288 PolarHBondContact OD2-NH2 2.76Å
15P95Very high88.3Confident7 Ų734.6 Ų34.65%0.04521%0.208CC..Hα-helixtrans-63.7-30.9-176.925.7-36000112.6T19 V32 E34 M221P15-T19 VanDerWaalsContact O-CB 3.25Å; P15-T19 WeakPolarHBondContact O-CB 3.49Å; P15-T19 PolarHBondContact O-N 3.2Å; P15-T19 PolarHBondContact O-OG1 2.63Å; P15-V32 HydrophobicContact CB-CG1 4.32Å; P15-V32 WeakPolarHBondContact CB-O 3.31Å; P15-E34 HydrophobicContact CB-CB 4.38Å; P15-E34 HydrophobicContact CG-CB 4.01Å; P15-M221 HydrophobicContact CB-SD 4.39Å
16G94.1Very high90.8Very high2 Ų232.3 Ų32.32%0.02119%0.192CC..Hα-helixtrans-69.4-42.7176.300000112.1D14 E20 Y281D14-G16 VanDerWaalsContact C-N 3.25Å; D14-G16 PolarHBondContact O-N 3.08Å; D14-G16 VanDerWaalsContact OD1-CA 3.25Å; D14-G16 WeakPolarHBondContact OD1-CA 3.46Å; D14-G16 PolarHBondContact OD1-N 3.35Å; G16-E20 WeakPolarHBondContact O-CG 3.2Å; G16-E20 PolarHBondContact O-N 3.5Å; G16-Y281 VanDerWaalsContact CA-CD2 3.47Å
17V94.1Very high92.5Very high4 Ų430 Ų302%0.02417%0.168CC..Hα-helixtrans-61.2-47.5172.7174.40000110.5D14 T19 E20 L21 F143D14-V17 HydrophobicContact CB-CB 4.06Å; D14-V17 HydrophobicContact CB-CG2 3.88Å; D14-V17 PolarHBondContact O-N 2.88Å; D14-V17 PolarHBondContact OD1-N 2.71Å; V17-T19 PolarHBondContact O-N 3.39Å; V17-E20 PolarHBondContact O-N 3.43Å; V17-L21 HydrophobicContact CG1-CD1 3.85Å; V17-L21 HydrophobicContact CG1-CG 4.39Å; V17-L21 WeakPolarHBondContact O-CB 3.17Å; V17-L21 VanDerWaalsContact O-CG 3.3Å; V17-L21 WeakPolarHBondContact O-CG 3.39Å; V17-L21 PolarHBondContact O-N 3.48Å; V17-F143 HydrophobicContact CG1-CB 3.95Å; V17-F143 HydrophobicContact CG1-CD1 4.38Å; V17-F143 HydrophobicContact CG1-CG 4.32Å
18F96.6Very high93.2Very high0 Ų030.8 Ų30.80%017%0.17CC..Hα-helixtrans-65.3-39.8-178.9-81.542.1000112M11 D14 E20 L21 I22 V32 I53 A89 I93 F165 M221M11-F18 HydrophobicContact CE-CE1 4.34Å; D14-F18 WeakPolarHBondContact O-CD1 3.26Å; D14-F18 PolarHBondContact O-N 3.12Å; F18-E20 PolarHBondContact O-N 3.06Å; F18-L21 HydrophobicContact CD1-CD1 4.34Å; F18-L21 WeakPolarHBondContact O-CB 3.31Å; F18-L21 PolarHBondContact O-N 3.04Å; F18-I22 WeakPolarHBondContact O-CG1 3.48Å; F18-I22 PolarHBondContact O-N 3.2Å; F18-V32 HydrophobicContact CB-CB 3.94Å; F18-V32 HydrophobicContact CB-CG1 3.97Å; F18-V32 HydrophobicContact CB-CG2 3.72Å; F18-I53 HydrophobicContact CD2-CD1 4.05Å; F18-I53 HydrophobicContact CE2-CD1 4.03Å; F18-I53 HydrophobicContact CE2-CG2 4.23Å; F18-A89 HydrophobicContact CE1-CB 4.14Å; F18-A89 HydrophobicContact CE2-CB 4.41Å; F18-A89 HydrophobicContact CZ-CB 3.59Å; F18-I93 HydrophobicContact CB-CD1 4.23Å; F18-I93 HydrophobicContact CD1-CD1 4.46Å; F18-I93 HydrophobicContact CD2-CD1 3.53Å; F18-I93 HydrophobicContact CD2-CG1 3.73Å; F18-I93 HydrophobicContact CE2-CD1 3.91Å; F18-I93 HydrophobicContact CE2-CG1 3.97Å; F18-I93 HydrophobicContact CG-CD1 3.83Å; F18-I93 HydrophobicContact CG-CG1 4.49Å; F18-F165 HydrophobicContact CE2-CE1 4.28Å; F18-F165 AromaticContact CZ-CE1 3.85Å; F18-F165 HydrophobicContact CZ-CE1 3.85Å; F18-F165 AromaticContact CZ-CZ 3.82Å; F18-F165 HydrophobicContact CZ-CZ 3.82Å; F18-M221 HydrophobicContact CD1-CE 4.37Å; F18-M221 HydrophobicContact CD2-CE 3.58Å; F18-M221 HydrophobicContact CD2-SD 4.02Å; F18-M221 HydrophobicContact CE1-CE 4.17Å; F18-M221 HydrophobicContact CE2-CE 3.34Å; F18-M221 HydrophobicContact CE2-SD 4.37Å; F18-M221 HydrophobicContact CG-CE 4.12Å; F18-M221 HydrophobicContact CG-SD 4.15Å; F18-M221 HydrophobicContact CZ-CE 3.65Å
19T96.7Very high93.6Very high3 Ų331 Ų312%0.01817%0.174CC..Hα-helixtrans-60.9-45174.3-63.20000111.6P15 V17 I22 K23 Q31 V32P15-T19 VanDerWaalsContact O-CB 3.25Å; P15-T19 WeakPolarHBondContact O-CB 3.49Å; P15-T19 PolarHBondContact O-N 3.2Å; P15-T19 PolarHBondContact O-OG1 2.63Å; V17-T19 PolarHBondContact O-N 3.39Å; T19-I22 PolarHBondContact O-N 3.02Å; T19-K23 WeakPolarHBondContact O-CG 3.16Å; T19-K23 PolarHBondContact O-N 3.47Å; T19-Q31 HydrophobicContact CG2-CB 3.96Å; T19-V32 PolarHBondContact OG1-N 3.43Å; T19-V32 PolarHBondContact OG1-O 3.1Å
20E94.8Very high94.1Very high37 Ų3730.3 Ų30.317%0.17317%0.17CC..Hα-helixtrans-73.5-27.5179.8-66-67.8116.500112.6G16 V17 F18 K23 G24 F143G16-E20 WeakPolarHBondContact O-CG 3.2Å; G16-E20 PolarHBondContact O-N 3.5Å; V17-E20 PolarHBondContact O-N 3.43Å; F18-E20 PolarHBondContact O-N 3.06Å; E20-K23 IonicContact OE1-NZ 3.23Å; E20-K23 PolarHBondContact OE1-NZ 2.95Å; E20-G24 PolarHBondContact O-N 3.45Å; E20-F143 HydrophobicContact CB-CE1 3.45Å; E20-F143 VanDerWaalsContact CB-CE1 3.45Å; E20-F143 HydrophobicContact CB-CZ 3.59Å; E20-F143 HydrophobicContact CG-CE1 4.47Å
21L95.3Very high94.7Very high0 Ų024.8 Ų24.80%014%0.141CC..Hα-helixtrans-64.6-47.9170.1-77.9162.9000112.2M11 V17 F18 K23 G24 F25 I93 V139 F143M11-L21 HydrophobicContact CE-CD1 3.29Å; M11-L21 HydrophobicContact SD-CD1 3.52Å; M11-L21 VanDerWaalsContact SD-CD1 3.52Å; M11-L21 HydrophobicContact SD-CD2 4.15Å; M11-L21 HydrophobicContact SD-CG 4.42Å; V17-L21 HydrophobicContact CG1-CD1 3.85Å; V17-L21 HydrophobicContact CG1-CG 4.39Å; V17-L21 WeakPolarHBondContact O-CB 3.17Å; V17-L21 VanDerWaalsContact O-CG 3.3Å; V17-L21 WeakPolarHBondContact O-CG 3.39Å; V17-L21 PolarHBondContact O-N 3.48Å; F18-L21 HydrophobicContact CD1-CD1 4.34Å; F18-L21 WeakPolarHBondContact O-CB 3.31Å; F18-L21 PolarHBondContact O-N 3.04Å; L21-K23 VanDerWaalsContact C-N 3.28Å; L21-K23 PolarHBondContact O-N 3.27Å; L21-G24 CarbonylContact O-C 3.6Å; L21-G24 WeakPolarHBondContact O-CA 3.48Å; L21-G24 PolarHBondContact O-N 2.99Å; L21-F25 HydrophobicContact CB-CE2 4.26Å; L21-F25 HydrophobicContact CB-CZ 4.43Å; L21-F25 HydrophobicContact CD2-CZ 4.29Å; L21-F25 VanDerWaalsContact O-CD2 3.27Å; L21-F25 WeakPolarHBondContact O-CD2 3.4Å; L21-F25 VanDerWaalsContact O-CG 3.31Å; L21-F25 WeakPolarHBondContact O-CG 3.43Å; L21-F25 PolarHBondContact O-N 3.37Å; L21-I93 HydrophobicContact CB-CD1 4.43Å; L21-I93 HydrophobicContact CD1-CD1 4.19Å; L21-V139 HydrophobicContact CD2-CG1 4.1Å; L21-F143 HydrophobicContact CD2-CB 4.47Å; L21-F143 HydrophobicContact CD2-CD2 3.31Å; L21-F143 HydrophobicContact CD2-CE2 3.76Å; L21-F143 HydrophobicContact CD2-CG 4.13Å; L21-F143 HydrophobicContact CG-CD2 3.75Å; L21-F143 HydrophobicContact CG-CE2 4.05Å; L21-F143 HydrophobicContact CG-CG 4.24Å
22I97.3Very high95.3Very high0 Ų023.7 Ų23.70%014%0.135CC..Hα-helixtrans-55.6-47.1176.8-69.8176.6000109.9F18 T19 G24 F25 C27 A30 V32 I93 L97 I223F18-I22 WeakPolarHBondContact O-CG1 3.48Å; F18-I22 PolarHBondContact O-N 3.2Å; T19-I22 PolarHBondContact O-N 3.02Å; I22-G24 VanDerWaalsContact C-N 3.35Å; I22-G24 PolarHBondContact O-N 3.37Å; I22-F25 PolarHBondContact O-N 2.89Å; I22-C27 HydrophobicContact CG2-CB 3.63Å; I22-C27 WeakPolarHBondContact O-CB 3.46Å; I22-C27 PolarHBondContact O-N 3.38Å; I22-C27 VanDerWaalsContact O-N 3.16Å; I22-A30 HydrophobicContact CG2-CB 4.46Å; I22-V32 HydrophobicContact CD1-CG2 3.44Å; I22-V32 VanDerWaalsContact CD1-CG2 3.44Å; I22-I93 HydrophobicContact CD1-CG2 4.1Å; I22-I93 HydrophobicContact CG1-CG2 3.6Å; I22-L97 HydrophobicContact CG1-CD1 4.28Å; I22-L97 HydrophobicContact CG2-CD1 4.35Å; I22-I223 HydrophobicContact CD1-CD1 4.15Å; I22-I223 HydrophobicContact CD1-CG1 4.16Å; I22-I223 HydrophobicContact CD1-CG2 4.36Å
23K95.9Very high95.8Very high77 Ų7721 Ų2134%0.33512%0.123SC..Hα-helixtrans-62.6-40.3174.6-67.5174.8-168.6166.90112.5T19 E20 L21 F25 G26T19-K23 WeakPolarHBondContact O-CG 3.16Å; T19-K23 PolarHBondContact O-N 3.47Å; E20-K23 IonicContact OE1-NZ 3.23Å; E20-K23 PolarHBondContact OE1-NZ 2.95Å; L21-K23 VanDerWaalsContact C-N 3.28Å; L21-K23 PolarHBondContact O-N 3.27Å; K23-F25 VanDerWaalsContact C-N 3.28Å; K23-F25 PolarHBondContact O-N 3.13Å; K23-G26 WeakPolarHBondContact O-CA 3.4Å; K23-G26 PolarHBondContact O-N 3.02Å
24G95.7Very high96.1Very high39 Ų3922 Ų2240%0.40213%0.125SC..Hα-helixtrans-62.8-32.6177.500000113.2E20 L21 I22 G26 V139E20-G24 PolarHBondContact O-N 3.45Å; L21-G24 CarbonylContact O-C 3.6Å; L21-G24 WeakPolarHBondContact O-CA 3.48Å; L21-G24 PolarHBondContact O-N 2.99Å; I22-G24 VanDerWaalsContact C-N 3.35Å; I22-G24 PolarHBondContact O-N 3.37Å; G24-G26 PolarHBondContact O-N 3.19Å; G24-V139 WeakPolarHBondContact O-CG2 3.46Å
25F96.8Very high96.1Very high1 Ų121.8 Ų21.80%0.00412%0.123CC..THydrogen-bonded Turntrans-72.6-4.6171.3-57.3-38.5000113.5L21 I22 K23 T90 I93 I94 L111 I136 V139L21-F25 HydrophobicContact CB-CE2 4.26Å; L21-F25 HydrophobicContact CB-CZ 4.43Å; L21-F25 HydrophobicContact CD2-CZ 4.29Å; L21-F25 VanDerWaalsContact O-CD2 3.27Å; L21-F25 WeakPolarHBondContact O-CD2 3.4Å; L21-F25 VanDerWaalsContact O-CG 3.31Å; L21-F25 WeakPolarHBondContact O-CG 3.43Å; L21-F25 PolarHBondContact O-N 3.37Å; I22-F25 PolarHBondContact O-N 2.89Å; K23-F25 VanDerWaalsContact C-N 3.28Å; K23-F25 PolarHBondContact O-N 3.13Å; F25-T90 HydrophobicContact CE1-CG2 4.4Å; F25-T90 HydrophobicContact CE2-CG2 4.25Å; F25-T90 HydrophobicContact CZ-CG2 3.63Å; F25-I93 HydrophobicContact CE2-CG2 4.34Å; F25-I94 HydrophobicContact CE2-CG1 4.47Å; F25-L111 HydrophobicContact CB-CD1 3.93Å; F25-L111 HydrophobicContact CB-CD2 4.17Å; F25-L111 HydrophobicContact CB-CG 3.99Å; F25-I136 HydrophobicContact CD1-CG2 4.35Å; F25-I136 HydrophobicContact CE1-CB 4.36Å; F25-I136 HydrophobicContact CE1-CG2 3.72Å; F25-I136 HydrophobicContact CZ-CG2 4.17Å; F25-V139 HydrophobicContact CD1-CB 3.91Å; F25-V139 HydrophobicContact CD1-CG1 3.62Å; F25-V139 HydrophobicContact CD1-CG2 4.38Å; F25-V139 HydrophobicContact CE1-CB 3.77Å; F25-V139 HydrophobicContact CE1-CG1 3.53Å; F25-V139 HydrophobicContact CZ-CG1 4.36Å
26G96.6Very high95.7Very high31 Ų3131.2 Ų31.232%0.3216%0.158SC..THydrogen-bonded Turntrans91.1-2-178.200000114.4K23 G24K23-G26 WeakPolarHBondContact O-CA 3.4Å; K23-G26 PolarHBondContact O-N 3.02Å; G24-G26 PolarHBondContact O-N 3.19Å
27C97.5Very high95.5Very high1 Ų133 Ų331%0.00717%0.17CC..  trans-71.2138.4178.8-178.40000111I22 L97 L106 L107 L111I22-C27 HydrophobicContact CG2-CB 3.63Å; I22-C27 WeakPolarHBondContact O-CB 3.46Å; I22-C27 PolarHBondContact O-N 3.38Å; I22-C27 VanDerWaalsContact O-N 3.16Å; C27-L97 HydrophobicContact CB-CD1 4.38Å; C27-L106 CarbonylContact C-O 3.54Å; C27-L106 VanDerWaalsContact CA-O 3.24Å; C27-L106 WeakPolarHBondContact CA-O 3.41Å; C27-L106 PolarHBondContact SG-O 3.29Å; C27-L106 VanDerWaalsContact SG-O 3.4Å; C27-L107 WeakPolarHBondContact CA-O 3.44Å; C27-L107 PolarHBondContact N-O 2.99Å; C27-L111 HydrophobicContact CB-CD1 4.15Å
28K96.9Very high95.2Very high146 Ų14634.4 Ų34.464%0.63518%0.177SC*.BIsolated β-bridgetrans-126.4152.7-178.1-62.4179.3-175.5173.30111A30 L106K28-A30 VanDerWaalsContact C-N 3.33Å; K28-L106 HydrophobicContact CB-CB 4.44Å; K28-L106 PolarHBondContact N-O 3.02Å; K28-L106 PolarHBondContact O-N 3.3Å
29G96.6Very high94.9Very high13 Ų1339.4 Ų39.413%0.13420%0.2CC..SBendtrans80.411.9175.300000114.6D104 S225 D226G29-D104 VanDerWaalsContact CA-O 3.32Å; G29-D104 WeakPolarHBondContact CA-O 3.35Å; G29-S225 CarbonylContact O-C 3.52Å; G29-S225 WeakPolarHBondContact O-CA 3.27Å; G29-D226 PolarHBondContact O-N 3Å
30A97.3Very high94.5Very high3 Ų341.8 Ų41.83%0.02522%0.216CC..EExtended strand (participates in β ladder)trans-129147.5173.100000111.7I22 K28 M105 I223 V224I22-A30 HydrophobicContact CG2-CB 4.46Å; K28-A30 VanDerWaalsContact C-N 3.33Å; A30-M105 HydrophobicContact CB-CG 4.12Å; A30-M105 HydrophobicContact CB-SD 3.78Å; A30-I223 HydrophobicContact CB-CG2 4.18Å; A30-V224 CarbonylContact C-O 3.57Å; A30-V224 VanDerWaalsContact CA-O 3.23Å; A30-V224 WeakPolarHBondContact CA-O 3.32Å
31Q97.3Very high94.2Very high8 Ų845.6 Ų45.64%0.03723%0.233CC..EExtended strand (participates in β ladder)trans-136.3168.6170.770-172.763.500110.7T19 E33 I223 V224 R227 E274T19-Q31 HydrophobicContact CG2-CB 3.96Å; Q31-E33 PolarHBondContact NE2-OE1 2.97Å; Q31-I223 WeakPolarHBondContact O-CA 3.38Å; Q31-V224 HydrophobicContact CG-CG2 3.72Å; Q31-V224 PolarHBondContact N-O 3.02Å; Q31-V224 PolarHBondContact O-N 3.09Å; Q31-R227 HydrophobicContact CG-CG 4.34Å; Q31-R227 VanDerWaalsContact NE2-CG 3.28Å; Q31-E274 PolarHBondContact NE2-OE2 3.45Å
32V97.9Very high93.9Very high0 Ų048.9 Ų48.90%025%0.251CS..EExtended strand (participates in β ladder)trans-112130.9178.6-173.80000110.3P15 F18 T19 I22 M221 A222 I223P15-V32 HydrophobicContact CB-CG1 4.32Å; P15-V32 WeakPolarHBondContact CB-O 3.31Å; F18-V32 HydrophobicContact CB-CB 3.94Å; F18-V32 HydrophobicContact CB-CG1 3.97Å; F18-V32 HydrophobicContact CB-CG2 3.72Å; T19-V32 PolarHBondContact OG1-N 3.43Å; T19-V32 PolarHBondContact OG1-O 3.1Å; I22-V32 HydrophobicContact CD1-CG2 3.44Å; I22-V32 VanDerWaalsContact CD1-CG2 3.44Å; V32-M221 HydrophobicContact CG1-CB 3.69Å; V32-M221 HydrophobicContact CG1-CG 4.04Å; V32-M221 HydrophobicContact CG1-SD 3.82Å; V32-A222 CarbonylContact C-O 3.27Å; V32-A222 WeakPolarHBondContact CA-O 3.24Å; V32-I223 HydrophobicContact CG2-CG1 3.99Å
33E96.7Very high93.5Very high21 Ų2149 Ų4910%0.09825%0.252CS..EExtended strand (participates in β ladder)trans-117.5139.3177.9-68.2-61.2155.900110.7Q31 L46 M221 A222 V224 K277Q31-E33 PolarHBondContact NE2-OE1 2.97Å; E33-L46 HydrophobicContact CB-CD1 4.25Å; E33-L46 HydrophobicContact CB-CD2 4.18Å; E33-L46 HydrophobicContact CG-CD2 3.87Å; E33-M221 CarbonylContact O-C 3.45Å; E33-M221 WeakPolarHBondContact O-CA 3.2Å; E33-A222 PolarHBondContact N-O 3.48Å; E33-A222 PolarHBondContact O-N 3.26Å; E33-V224 HydrophobicContact CG-CG2 3.72Å; E33-K277 IonicContact OE1-NZ 2.59Å; E33-K277 PolarHBondContact OE1-NZ 2.87Å; E33-K277 IonicContact OE2-NZ 2.63Å; E33-K277 PolarHBondContact OE2-NZ 3.42Å
34E95.4Very high93.2Very high48 Ų4850.8 Ų50.822%0.22426%0.261CS..EExtended strand (participates in β ladder)trans-85.8134.8174.3-174.2168.6-156.100110.5P15 W36 N219P15-E34 HydrophobicContact CB-CB 4.38Å; P15-E34 HydrophobicContact CG-CB 4.01Å; E34-W36 HydrophobicContact CB-CZ2 4.4Å; E34-W36 VanDerWaalsContact CD-CZ2 3.44Å; E34-W36 HydrophobicContact CG-CD2 4.48Å; E34-W36 HydrophobicContact CG-CZ2 3.98Å; E34-W36 VanDerWaalsContact O-CD1 3.28Å; E34-W36 PolarHBondContact O-NE1 3.42Å; E34-W36 WeakPolarHBondContact OE2-CZ2 3.4Å; E34-N219 PolarHBondContact OE1-ND2 3.32Å
35I93.8Very high92.9Very high17 Ų1754.4 Ų54.49%0.08727%0.271CS..  trans-105.1114.5-178-51.8-58.5000109.2S37 F43 L46 L220 A222I35-S37 VanDerWaalsContact CG2-O 3.22Å; I35-S37 WeakPolarHBondContact CG2-O 3.46Å; I35-F43 HydrophobicContact CD1-CE1 4.35Å; I35-F43 HydrophobicContact CG1-CE1 4.26Å; I35-F43 HydrophobicContact CG2-CE1 4.02Å; I35-F43 HydrophobicContact CG2-CE2 4.28Å; I35-F43 HydrophobicContact CG2-CZ 3.67Å; I35-L46 HydrophobicContact CD1-CD1 3.2Å; I35-L220 HydrophobicContact CB-CB 4.17Å; I35-L220 HydrophobicContact CB-CD2 3.89Å; I35-L220 HydrophobicContact CB-CG 3.9Å; I35-L220 HydrophobicContact CG1-CD2 4.37Å; I35-L220 HydrophobicContact CG1-CG 4.17Å; I35-L220 HydrophobicContact CG2-CD2 3.87Å; I35-L220 HydrophobicContact CG2-CG 4.44Å; I35-L220 PolarHBondContact N-O 3.35Å; I35-A222 HydrophobicContact CD1-CB 3.86Å; I35-A222 HydrophobicContact CG1-CB 4.03Å
36W87.4Confident92.6Very high205 Ų20555.6 Ų55.678%0.77728%0.278SS*.  trans-97-17.1-175.9-5481.3000113.2E34E34-W36 HydrophobicContact CB-CZ2 4.4Å; E34-W36 VanDerWaalsContact CD-CZ2 3.44Å; E34-W36 HydrophobicContact CG-CD2 4.48Å; E34-W36 HydrophobicContact CG-CZ2 3.98Å; E34-W36 VanDerWaalsContact O-CD1 3.28Å; E34-W36 PolarHBondContact O-NE1 3.42Å; E34-W36 WeakPolarHBondContact OE2-CZ2 3.4Å
37S89.2Confident92.4Very high40 Ų4056.8 Ų56.828%0.2827%0.274SS..  trans-142.7140.7-176.2-179.60000109.9I35 E39I35-S37 VanDerWaalsContact CG2-O 3.22Å; I35-S37 WeakPolarHBondContact CG2-O 3.46Å; S37-E39 PolarHBondContact O-N 3.17Å; S37-E39 WeakPolarHBondContact OG-CG 3.33Å; S37-E39 PolarHBondContact OG-N 2.92Å
38M87.6Confident92.3Very high32 Ų3258.5 Ų58.516%0.15829%0.285CS..  trans-84.34.7175.3-67.4-61-70.500112.6F43 R201 I204 E205 L220M38-F43 HydrophobicContact SD-CZ 4.12Å; M38-R201 HydrophobicContact CE-CB 4.1Å; M38-R201 HydrophobicContact CE-CG 3.96Å; M38-R201 PolarHBondContact O-NE 3.5Å; M38-R201 PolarHBondContact O-NH2 3.27Å; M38-I204 HydrophobicContact CE-CB 3.74Å; M38-I204 HydrophobicContact CE-CD1 4.25Å; M38-I204 HydrophobicContact CE-CG2 3.77Å; M38-I204 HydrophobicContact SD-CG2 4.12Å; M38-E205 HydrophobicContact CB-CG 4.46Å; M38-E205 HydrophobicContact CE-CG 4.29Å; M38-E205 HydrophobicContact CG-CG 4.38Å; M38-L220 HydrophobicContact SD-CD2 3.49Å; M38-L220 WeakPolarHBondContact SD-CD2 3.48Å
39E89.8Confident92.2Very high106 Ų10652.2 Ų52.250%0.49526%0.259SS..SBendtrans-68142.3177.4-65.2-59.2161.600112.2S37 E41 N42 F43S37-E39 PolarHBondContact O-N 3.17Å; S37-E39 WeakPolarHBondContact OG-CG 3.33Å; S37-E39 PolarHBondContact OG-N 2.92Å; E39-E41 VanDerWaalsContact C-N 3.29Å; E39-E41 PolarHBondContact O-N 3.41Å; E39-N42 WeakPolarHBondContact O-CB 3.25Å; E39-N42 PolarHBondContact O-N 3.43Å; E39-F43 WeakPolarHBondContact O-CD2 3.39Å
40P89.1Confident92.2Very high52 Ų5252.1 Ų52.134%0.33826%0.255SS..Hα-helixtrans-62-32.6-17210.3-10.1000113.7N42 F43 E44 R201P40-N42 PolarHBondContact O-N 3.42Å; P40-F43 PolarHBondContact O-N 3Å; P40-F43 VanDerWaalsContact O-N 3.08Å; P40-E44 PolarHBondContact O-N 3.04Å; P40-R201 VanDerWaalsContact CG-NH1 3.35Å
41E88.6Confident92.3Very high117 Ų11752 Ų5255%0.54725%0.254SS..Hα-helixtrans-62.9-30.2-178.5-58.176.6-164.200112.2E39 F43 N45E39-E41 VanDerWaalsContact C-N 3.29Å; E39-E41 PolarHBondContact O-N 3.41Å; E41-F43 VanDerWaalsContact C-N 3.31Å; E41-F43 PolarHBondContact O-N 3.46Å; E41-N45 PolarHBondContact O-N 3.45Å; E41-N45 PolarHBondContact O-ND2 3.31Å; E41-N45 VanDerWaalsContact O-ND2 3.15Å
42N88.4Confident92.3Very high70 Ų7051.6 Ų51.637%0.37425%0.252SS..Hα-helixtrans-67.9-32.2177.1-76.559.4000112.1E39 P40 L46E39-N42 WeakPolarHBondContact O-CB 3.25Å; E39-N42 PolarHBondContact O-N 3.43Å; P40-N42 PolarHBondContact O-N 3.42Å; N42-L46 WeakPolarHBondContact O-CD1 3.35Å; N42-L46 WeakPolarHBondContact O-CG 3.34Å
43F89.8Confident92.3Very high3 Ų351.6 Ų51.61%0.01325%0.252CS..Hα-helixtrans-85-32177.5-64.3-90.1000112.4I35 M38 E39 P40 E41 N45 L46 K47 L52 I197 R201 L220I35-F43 HydrophobicContact CD1-CE1 4.35Å; I35-F43 HydrophobicContact CG1-CE1 4.26Å; I35-F43 HydrophobicContact CG2-CE1 4.02Å; I35-F43 HydrophobicContact CG2-CE2 4.28Å; I35-F43 HydrophobicContact CG2-CZ 3.67Å; M38-F43 HydrophobicContact SD-CZ 4.12Å; E39-F43 WeakPolarHBondContact O-CD2 3.39Å; P40-F43 PolarHBondContact O-N 3Å; P40-F43 VanDerWaalsContact O-N 3.08Å; E41-F43 VanDerWaalsContact C-N 3.31Å; E41-F43 PolarHBondContact O-N 3.46Å; F43-N45 VanDerWaalsContact C-N 3.28Å; F43-N45 PolarHBondContact O-N 3.15Å; F43-L46 WeakPolarHBondContact O-CA 3.5Å; F43-L46 WeakPolarHBondContact O-CB 3.28Å; F43-L46 PolarHBondContact O-N 2.95Å; F43-K47 PolarHBondContact O-N 3.23Å; F43-L52 HydrophobicContact CE1-CD1 4.36Å; F43-L52 HydrophobicContact CE1-CD2 4.19Å; F43-I197 HydrophobicContact CB-CG1 4.48Å; F43-I197 HydrophobicContact CB-CG2 3.83Å; F43-I197 HydrophobicContact CD1-CD1 4.15Å; F43-I197 HydrophobicContact CD1-CG1 4.39Å; F43-I197 HydrophobicContact CD1-CG2 3.69Å; F43-I197 HydrophobicContact CD2-CG2 3.88Å; F43-I197 HydrophobicContact CE1-CG2 4.16Å; F43-I197 HydrophobicContact CE2-CG2 4.33Å; F43-I197 HydrophobicContact CG-CG2 3.53Å; F43-I197 HydrophobicContact CZ-CG2 4.45Å; F43-R201 HydrophobicContact CE2-CG 4.41Å; F43-L220 HydrophobicContact CZ-CD2 4.46Å
44E89.8Confident92.3Very high113 Ų11350.6 Ų50.653%0.52825%0.247SC..Hα-helixtrans-60.8-41.2-179.3-163.660.3-149.800111.3P40 L46 K47P40-E44 PolarHBondContact O-N 3.04Å; E44-L46 PolarHBondContact O-N 3.1Å; E44-L46 VanDerWaalsContact O-N 3.17Å; E44-K47 PolarHBondContact O-N 3.29Å; E44-K47 IonicContact OE1-NZ 3.66Å; E44-K47 VanDerWaalsContact OE2-CE 3.26Å; E44-K47 WeakPolarHBondContact OE2-CE 3.41Å; E44-K47 IonicContact OE2-NZ 2.74Å; E44-K47 PolarHBondContact OE2-NZ 3.48Å
45N87.6Confident92.2Very high116 Ų11649.3 Ų49.362%0.6224%0.242SC*.THydrogen-bonded Turntrans-65.6-17.5175.6-71.3-43.9000113.4E41 F43 R227E41-N45 PolarHBondContact O-N 3.45Å; E41-N45 PolarHBondContact O-ND2 3.31Å; E41-N45 VanDerWaalsContact O-ND2 3.15Å; F43-N45 VanDerWaalsContact C-N 3.28Å; F43-N45 PolarHBondContact O-N 3.15Å; N45-R227 PolarHBondContact O-NH1 3.06Å; N45-R227 VanDerWaalsContact O-NH1 3.07Å; N45-R227 PolarHBondContact O-NH2 3.07Å
46L91.9Very high92.1Very high26 Ų2648.6 Ų48.614%0.13624%0.238CC..THydrogen-bonded Turntrans-100.6-8.8-176.3-67-178.9000113.7E33 I35 N42 F43 E44 V49 V224E33-L46 HydrophobicContact CB-CD1 4.25Å; E33-L46 HydrophobicContact CB-CD2 4.18Å; E33-L46 HydrophobicContact CG-CD2 3.87Å; I35-L46 HydrophobicContact CD1-CD1 3.2Å; N42-L46 WeakPolarHBondContact O-CD1 3.35Å; N42-L46 WeakPolarHBondContact O-CG 3.34Å; F43-L46 WeakPolarHBondContact O-CA 3.5Å; F43-L46 WeakPolarHBondContact O-CB 3.28Å; F43-L46 PolarHBondContact O-N 2.95Å; E44-L46 PolarHBondContact O-N 3.1Å; E44-L46 VanDerWaalsContact O-N 3.17Å; L46-V49 HydrophobicContact CB-CG2 4.24Å; L46-V224 HydrophobicContact CB-CG1 4.15Å
47K92.4Very high92.2Very high55 Ų5541.3 Ų41.324%0.23921%0.212CC..PPolyproline II helixtrans-58144.2178.8-75.6-177.9175.2167.70111.9F43 E44 D195 R227F43-K47 PolarHBondContact O-N 3.23Å; E44-K47 PolarHBondContact O-N 3.29Å; E44-K47 IonicContact OE1-NZ 3.66Å; E44-K47 VanDerWaalsContact OE2-CE 3.26Å; E44-K47 WeakPolarHBondContact OE2-CE 3.41Å; E44-K47 IonicContact OE2-NZ 2.74Å; E44-K47 PolarHBondContact OE2-NZ 3.48Å; K47-D195 IonicContact NZ-OD1 2.88Å; K47-D195 PolarHBondContact NZ-OD1 3.4Å; K47-R227 PolarHBondContact O-NH1 2.99Å; K47-R227 VanDerWaalsContact O-NH1 3.07Å
48P94.3Very high92.2Very high38 Ų3844.7 Ų44.725%0.24722%0.219CC..SBendcis-77.3138.7-3.533-35.8000112.7S225P48-S225 VanDerWaalsContact CG-OG 3.24Å; P48-S225 WeakPolarHBondContact CG-OG 3.41Å; P48-S225 PolarHBondContact O-N 2.87Å
49V96.1Very high92Very high13 Ų1347.2 Ų47.28%0.07923%0.23CC..EExtended strand (participates in β ladder)trans-103.7122.1177.2-173.30000109.2L46 L52 W196 I197 A222 V224L46-V49 HydrophobicContact CB-CG2 4.24Å; V49-L52 HydrophobicContact CG1-CD2 4.16Å; V49-W196 HydrophobicContact CB-CZ2 4.37Å; V49-W196 HydrophobicContact CG1-CZ2 3.89Å; V49-W196 PolarHBondContact O-NE1 2.87Å; V49-I197 HydrophobicContact CB-CD1 4.08Å; V49-I197 HydrophobicContact CG1-CD1 4.04Å; V49-I197 HydrophobicContact CG2-CD1 4.36Å; V49-A222 HydrophobicContact CG1-CB 4.03Å; V49-V224 HydrophobicContact CB-CG1 4.45Å; V49-V224 HydrophobicContact CG1-CG1 4.31Å; V49-V224 HydrophobicContact CG2-CG1 4.11Å
50H96.9Very high91.7Very high11 Ų1147.1 Ų47.15%0.05124%0.239CC..EExtended strand (participates in β ladder)trans-91.4-27.5-173.5-58.4-50.6000113.3H102 I223 V224 S225H50-H102 AromaticContact CE1-CG 3.48Å; H50-H102 VanDerWaalsContact CE1-CG 3.48Å; H50-H102 AromaticContact CE1-ND1 3.54Å; H50-H102 AromaticContact ND1-CG 3.92Å; H50-I223 HydrophobicContact CB-CG2 4.27Å; H50-I223 WeakPolarHBondContact CB-O 3.08Å; H50-I223 PolarHBondContact N-O 3.32Å; H50-V224 VanDerWaalsContact CD2-C 3.48Å; H50-S225 PolarHBondContact CD2-N 3.45Å; H50-S225 PolarHBondContact CE1-OG 2.92Å; H50-S225 PolarHBondContact NE2-N 3.17Å; H50-S225 VanDerWaalsContact NE2-N 3.2Å; H50-S225 PolarHBondContact NE2-OG 2.91Å
51G97.6Very high91.3Very high0 Ų048.4 Ų48.40%026%0.261CS..EExtended strand (participates in β ladder)trans-177162.4176.100000111.6Y168 A222 I223G51-Y168 CarbonylContact C-O 3.6Å; G51-Y168 VanDerWaalsContact CA-O 3.27Å; G51-Y168 WeakPolarHBondContact CA-O 3.3Å; G51-A222 WeakPolarHBondContact O-CA 3.39Å; G51-I223 PolarHBondContact N-O 2.91Å; G51-I223 PolarHBondContact O-N 2.99Å
52L98.3Very high91Very high0 Ų044.2 Ų44.20%024%0.242CC..EExtended strand (participates in β ladder)trans-112.4144.1173.7-64.1178.5000109.4F43 V49 S167 Y168 W196 V200 I204 L220 M221 A222F43-L52 HydrophobicContact CE1-CD1 4.36Å; F43-L52 HydrophobicContact CE1-CD2 4.19Å; V49-L52 HydrophobicContact CG1-CD2 4.16Å; L52-S167 CarbonylContact O-C 3.34Å; L52-S167 VanDerWaalsContact O-CA 3.25Å; L52-S167 WeakPolarHBondContact O-CA 3.5Å; L52-Y168 HydrophobicContact CB-CD2 4.26Å; L52-Y168 PolarHBondContact N-O 2.89Å; L52-Y168 PolarHBondContact O-N 3.26Å; L52-W196 HydrophobicContact CB-CH2 4.3Å; L52-W196 HydrophobicContact CD1-CH2 4.24Å; L52-W196 HydrophobicContact CD1-CZ3 4.31Å; L52-W196 HydrophobicContact CG-CH2 3.71Å; L52-W196 HydrophobicContact CG-CZ3 4.25Å; L52-V200 HydrophobicContact CD1-CG1 3.6Å; L52-V200 HydrophobicContact CD1-CG2 4.32Å; L52-I204 HydrophobicContact CD1-CD1 3.64Å; L52-L220 HydrophobicContact CB-CD1 4.13Å; L52-L220 HydrophobicContact CD1-CD1 4.39Å; L52-M221 CarbonylContact C-O 3.58Å; L52-M221 VanDerWaalsContact CA-O 3.32Å; L52-M221 WeakPolarHBondContact CA-O 3.32Å; L52-A222 HydrophobicContact CD2-CB 3.6Å
53I98.1Very high90.9Very high0 Ų048.3 Ų48.30%026%0.259CS..EExtended strand (participates in β ladder)trans-117.9121.9171.8-63.3175.5000107.1F18 A92 I93 V96 F165 V166 M221 I223F18-I53 HydrophobicContact CD2-CD1 4.05Å; F18-I53 HydrophobicContact CE2-CD1 4.03Å; F18-I53 HydrophobicContact CE2-CG2 4.23Å; I53-A92 HydrophobicContact CG1-CB 4.48Å; I53-A92 HydrophobicContact CG2-CB 4.12Å; I53-I93 HydrophobicContact CD1-CB 4.38Å; I53-I93 HydrophobicContact CD1-CG1 3.61Å; I53-V96 HydrophobicContact CG1-CG2 4.27Å; I53-F165 HydrophobicContact CG2-CD1 3.51Å; I53-F165 HydrophobicContact CG2-CE1 4.12Å; I53-F165 HydrophobicContact CG2-CG 4.41Å; I53-V166 WeakPolarHBondContact CA-O 3.49Å; I53-M221 HydrophobicContact CB-CB 4.47Å; I53-M221 HydrophobicContact CG2-CE 4.47Å; I53-M221 PolarHBondContact N-O 3.34Å; I53-M221 PolarHBondContact O-N 3Å; I53-I223 HydrophobicContact CD1-CD1 3.81Å; I53-I223 HydrophobicContact CD1-CG1 4.28Å; I53-I223 HydrophobicContact CG1-CD1 4.45Å
54F96.6Very high90.8Very high1 Ų150.3 Ų50.30%0.00427%0.272CS..EExtended strand (participates in β ladder)trans-117.4123.6-178.2-173.6-121.1000110.2F56 F165 V166 Y168 I204 R207 I208 F218 N219 L220F54-F56 HydrophobicContact CD1-CB 4.4Å; F54-F56 AromaticContact CD1-CD1 3.45Å; F54-F56 HydrophobicContact CD1-CD1 3.45Å; F54-F56 VanDerWaalsContact CD1-CD1 3.45Å; F54-F56 HydrophobicContact CD1-CE1 4.14Å; F54-F56 HydrophobicContact CD1-CG 4.32Å; F54-F56 HydrophobicContact CE1-CB 3.84Å; F54-F56 AromaticContact CE1-CD1 3.64Å; F54-F56 HydrophobicContact CE1-CD1 3.64Å; F54-F56 HydrophobicContact CE1-CG 4.08Å; F54-F56 HydrophobicContact CG-CD1 4.43Å; F54-F56 HydrophobicContact CZ-CB 4.29Å; F54-F165 WeakPolarHBondContact O-CA 3.48Å; F54-V166 HydrophobicContact CB-CG2 3.98Å; F54-V166 HydrophobicContact CD1-CG2 4.38Å; F54-V166 PolarHBondContact N-O 3.47Å; F54-V166 PolarHBondContact O-N 3.42Å; F54-Y168 HydrophobicContact CB-CD2 4.49Å; F54-Y168 HydrophobicContact CB-CE2 3.81Å; F54-Y168 HydrophobicContact CG-CE2 4.49Å; F54-I204 HydrophobicContact CD2-CG2 4.41Å; F54-I204 HydrophobicContact CE2-CG2 4.19Å; F54-I204 HydrophobicContact CZ-CG2 4.44Å; F54-R207 HydrophobicContact CE1-CG 4Å; F54-I208 HydrophobicContact CE2-CD1 4.46Å; F54-I208 HydrophobicContact CE2-CG1 4.36Å; F54-I208 HydrophobicContact CZ-CD1 4.41Å; F54-I208 HydrophobicContact CZ-CG1 3.84Å; F54-F218 HydrophobicContact CE2-CB 3.86Å; F54-F218 AromaticContact CE2-CD2 3.92Å; F54-F218 HydrophobicContact CE2-CD2 3.92Å; F54-F218 HydrophobicContact CE2-CG 4.16Å; F54-F218 HydrophobicContact CZ-CB 3.92Å; F54-F218 HydrophobicContact CZ-CD2 4.46Å; F54-F218 HydrophobicContact CZ-CG 4.3Å; F54-N219 WeakPolarHBondContact CA-O 3.5Å; F54-N219 WeakPolarHBondContact CD2-O 3.49Å; F54-L220 HydrophobicContact CB-CD1 4.07Å; F54-L220 HydrophobicContact CD2-CB 4.13Å; F54-L220 HydrophobicContact CD2-CD1 3.9Å; F54-L220 HydrophobicContact CG-CD1 4.42Å
55L94.2Very high90.8Very high21 Ų2147.6 Ų47.611%0.1127%0.269CS..EExtended strand (participates in β ladder)trans-102.2130.8173.4-17763.7000109.2F163 H164 F165 F218 N219L55-F163 HydrophobicContact CD1-CB 3.66Å; L55-F163 HydrophobicContact CG-CB 4.2Å; L55-F163 HydrophobicContact CG-CD1 4.47Å; L55-H164 WeakPolarHBondContact CA-O 2.91Å; L55-H164 WeakPolarHBondContact CD1-O 3.12Å; L55-F165 HydrophobicContact CB-CD1 3.83Å; L55-F165 HydrophobicContact CB-CE1 3.62Å; L55-F165 HydrophobicContact CB-CZ 4.24Å; L55-F165 HydrophobicContact CD1-CD1 3.84Å; L55-F165 HydrophobicContact CD1-CD2 3.74Å; L55-F165 HydrophobicContact CD1-CE1 3.76Å; L55-F165 HydrophobicContact CD1-CE2 3.62Å; L55-F165 HydrophobicContact CD1-CG 3.86Å; L55-F165 HydrophobicContact CD1-CZ 3.64Å; L55-F165 HydrophobicContact CD2-CE1 4.06Å; L55-F165 HydrophobicContact CD2-CE2 4.49Å; L55-F165 HydrophobicContact CD2-CZ 3.85Å; L55-F165 HydrophobicContact CG-CD1 4.37Å; L55-F165 HydrophobicContact CG-CE1 4.02Å; L55-F165 HydrophobicContact CG-CZ 4.12Å; L55-F218 CarbonylContact O-C 3.56Å; L55-F218 WeakPolarHBondContact O-CA 3.48Å; L55-F218 VanDerWaalsContact O-CB 3.25Å; L55-F218 WeakPolarHBondContact O-CB 3.24Å; L55-N219 HydrophobicContact CB-CB 3.93Å; L55-N219 HydrophobicContact CD2-CB 4.24Å; L55-N219 PolarHBondContact N-O 3.18Å; L55-N219 PolarHBondContact O-N 2.88Å
56F91.4Very high91Very high2 Ų243.4 Ų43.41%0.00925%0.253CS..EExtended strand (participates in β ladder)trans-145.5162.1176.157.3-91.6000111.2F54 W58 F163 H164 V166 Y211F54-F56 HydrophobicContact CD1-CB 4.4Å; F54-F56 AromaticContact CD1-CD1 3.45Å; F54-F56 HydrophobicContact CD1-CD1 3.45Å; F54-F56 VanDerWaalsContact CD1-CD1 3.45Å; F54-F56 HydrophobicContact CD1-CE1 4.14Å; F54-F56 HydrophobicContact CD1-CG 4.32Å; F54-F56 HydrophobicContact CE1-CB 3.84Å; F54-F56 AromaticContact CE1-CD1 3.64Å; F54-F56 HydrophobicContact CE1-CD1 3.64Å; F54-F56 HydrophobicContact CE1-CG 4.08Å; F54-F56 HydrophobicContact CG-CD1 4.43Å; F54-F56 HydrophobicContact CZ-CB 4.29Å; F56-W58 PolarHBondContact O-N 3.33Å; F56-F163 CarbonylContact O-C 3.53Å; F56-F163 VanDerWaalsContact O-CA 3.32Å; F56-F163 WeakPolarHBondContact O-CA 3.34Å; F56-H164 PolarHBondContact N-O 2.92Å; F56-H164 VanDerWaalsContact N-O 3.1Å; F56-H164 PolarHBondContact O-N 3.48Å; F56-V166 HydrophobicContact CD1-CG2 4.44Å; F56-V166 HydrophobicContact CE1-CB 4.28Å; F56-V166 HydrophobicContact CE1-CG1 3.61Å; F56-V166 HydrophobicContact CE1-CG2 3.73Å; F56-V166 HydrophobicContact CZ-CG1 3.92Å; F56-Y211 HydrophobicContact CB-CE2 4.45Å; F56-Y211 WeakPolarHBondContact CD2-OH 3.35Å
57K89.8Confident91.2Very high52 Ų5245.6 Ų45.623%0.22627%0.271CS..EExtended strand (participates in β ladder)trans-67.9116.9171.2177.6172.6168.1171.10109.6D161 F163 Y211K57-D161 HydrophobicContact CD-CB 4.34Å; K57-D161 WeakPolarHBondContact CE-OD1 3.26Å; K57-D161 IonicContact NZ-OD1 3.68Å; K57-D161 PolarHBondContact NZ-OD1 2.84Å; K57-D161 IonicContact NZ-OD2 2.72Å; K57-F163 HydrophobicContact CB-CD1 4.25Å; K57-F163 HydrophobicContact CB-CE1 3.99Å; K57-Y211 HydrophobicContact CB-CE1 4.32Å; K57-Y211 VanDerWaalsContact O-CE1 3.24Å; K57-Y211 WeakPolarHBondContact O-CE1 3.4Å; K57-Y211 PolarHBondContact O-OH 3.36Å
58W88Confident91.4Very high111 Ų11145.8 Ų45.842%0.4227%0.273SS..  trans-66.1138.8-179.3-177.683.9000111F56 P60 A162 H164F56-W58 PolarHBondContact O-N 3.33Å; W58-P60 HydrophobicContact CH2-CB 3.67Å; W58-P60 HydrophobicContact CH2-CG 4.47Å; W58-P60 HydrophobicContact CZ2-CB 4.31Å; W58-P60 HydrophobicContact CZ3-CB 4.02Å; W58-P60 HydrophobicContact CZ3-CG 4.34Å; W58-A162 WeakPolarHBondContact CB-O 3.25Å; W58-A162 PolarHBondContact N-O 3.36Å; W58-H164 HydrophobicContact CB-CB 4.02Å; W58-H164 HydrophobicContact CG-CB 4.47Å
59Q84.3Confident91.5Very high84 Ų8444.1 Ų44.139%0.39326%0.262SS..  trans-129.8133.8174.5-65.5-175-4.900109.8Y211Q59-Y211 HydrophobicContact CG-CE1 4.2Å
60P83Confident91.4Very high104 Ų10451.5 Ų51.568%0.67530%0.296SS*.THydrogen-bonded Turntrans-66.3142.6178.126.8-33000111.1W58W58-P60 HydrophobicContact CH2-CB 3.67Å; W58-P60 HydrophobicContact CH2-CG 4.47Å; W58-P60 HydrophobicContact CZ2-CB 4.31Å; W58-P60 HydrophobicContact CZ3-CB 4.02Å; W58-P60 HydrophobicContact CZ3-CG 4.34Å
61G80.8Confident91.3Very high79 Ų7954.4 Ų54.481%0.81431%0.312SS*.THydrogen-bonded Turntrans80.712.3172.700000115.7E63G61-E63 PolarHBondContact O-N 3.07Å
62E82.2Confident91.1Very high30 Ų3058.3 Ų58.314%0.1434%0.34CS..PPolyproline II helixtrans-64.1123.3174.2-164.4-174.2170.300110.8R182 R207 K210E62-R182 VanDerWaalsContact O-CZ 3.25Å; E62-R182 PolarHBondContact O-NH1 3.15Å; E62-R182 PolarHBondContact O-NH2 2.96Å; E62-R207 IonicContact OE1-CZ 3.76Å; E62-R207 IonicContact OE1-NE 2.69Å; E62-R207 PolarHBondContact OE1-NE 3.01Å; E62-R207 IonicContact OE1-NH2 3.2Å; E62-K210 IonicContact OE1-NZ 3.81Å; E62-K210 PolarHBondContact OE1-NZ 3.16Å
63E86.1Confident90.9Very high156 Ų15661.3 Ų61.373%0.72935%0.351SS*.PPolyproline II helixtrans-69142.7174.1-68.1-172.7168.400111.5G61G61-E63 PolarHBondContact O-N 3.07Å
64P88.6Confident90.7Very high45 Ų4564.4 Ų64.429%0.29237%0.367SS..PPolyproline II helixtrans-54143.8172.7-24.434.4000112.1G66 I68 I186P64-G66 WeakPolarHBondContact CB-O 3.49Å; P64-G66 PolarHBondContact O-N 3.39Å; P64-I68 HydrophobicContact CG-CD1 4.47Å; P64-I186 HydrophobicContact CB-CD1 3.87Å; P64-I186 HydrophobicContact CB-CG1 4.24Å; P64-I186 HydrophobicContact CB-CG2 4.42Å
65A88.3Confident90.3Very high55 Ų5570 Ų7046%0.45540%0.397SS..SBendtrans-71-14.1177.400000113.6L188 V203A65-L188 HydrophobicContact CB-CD2 3.81Å; A65-V203 HydrophobicContact CB-CG1 4.28Å
66G92.7Very high90.2Very high28 Ų2874.9 Ų74.929%0.28942%0.419SS..SBendtrans-154.8-164.8-178.600000112.4P64P64-G66 WeakPolarHBondContact CB-O 3.49Å; P64-G66 PolarHBondContact O-N 3.39Å
67S95.7Very high90.5Very high73 Ų7375.1 Ų75.151%0.5142%0.42SS..EExtended strand (participates in β ladder)trans-83.4135.6-17956.90000111.9V69 D187S67-V69 PolarHBondContact O-N 3.25Å; S67-D187 PolarHBondContact N-O 2.96Å; S67-D187 PolarHBondContact O-N 3.15Å
68I96.8Very high90.9Very high58 Ų5873.1 Ų73.130%0.29741%0.412SS..EExtended strand (participates in β ladder)trans-68.8129.6172.3-59.5173.8000109.2P64 Q70 P185P64-I68 HydrophobicContact CG-CD1 4.47Å; I68-Q70 PolarHBondContact O-N 3.08Å; I68-P185 WeakPolarHBondContact CA-O 3.44Å
69V96.8Very high91.3Very high3 Ų368.3 Ų68.32%0.01839%0.394CS..PPolyproline II helixtrans-71.6126.1178.4-178.30000109.7S67 R73 L74 Y176 P185 D187S67-V69 PolarHBondContact O-N 3.25Å; V69-R73 HydrophobicContact CG1-CB 3.86Å; V69-L74 HydrophobicContact CB-CD2 4.22Å; V69-L74 HydrophobicContact CG1-CD2 3.97Å; V69-L74 HydrophobicContact CG1-CG 4.1Å; V69-Y176 HydrophobicContact CG2-CD1 4.1Å; V69-Y176 HydrophobicContact CG2-CE1 3.77Å; V69-P185 HydrophobicContact CB-CB 4.28Å; V69-P185 HydrophobicContact CG2-CB 4.07Å; V69-P185 WeakPolarHBondContact CG2-O 3.37Å; V69-P185 PolarHBondContact N-O 2.87Å; V69-D187 HydrophobicContact CG2-CB 3.92Å
70Q94.2Very high92Very high168 Ų16864.4 Ų64.479%0.78538%0.375SS*.  trans-132.45.2-179.4-63.9-177.4-5.200113.3I68I68-Q70 PolarHBondContact O-N 3.08Å
71D94Very high92.6Very high72 Ų7261.8 Ų61.839%0.38535%0.354SS..SBendtrans-103.1-170.9-178.36236.1000111.8R73 L74D71-R73 VanDerWaalsContact CG-NE 3.26Å; D71-R73 PolarHBondContact O-N 3.45Å; D71-R73 WeakPolarHBondContact OD1-CB 3.43Å; D71-R73 WeakPolarHBondContact OD1-CG 3.36Å; D71-R73 IonicContact OD1-CZ 2.9Å; D71-R73 PolarHBondContact OD1-N 2.98Å; D71-R73 IonicContact OD1-NE 3.23Å; D71-R73 PolarHBondContact OD1-NE 3.31Å; D71-R73 IonicContact OD1-NH2 3.68Å; D71-R73 IonicContact OD2-CZ 3.2Å; D71-R73 IonicContact OD2-NE 2.64Å; D71-R73 PolarHBondContact OD2-NE 3.02Å; D71-R73 IonicContact OD2-NH2 3.62Å; D71-R73 PolarHBondContact OD2-NH2 3.48Å; D71-L74 WeakPolarHBondContact O-CG 3.43Å; D71-L74 PolarHBondContact O-N 3.17Å; D71-L74 VanDerWaalsContact O-N 3.13Å
72S93.4Very high93.1Very high83 Ų8360 Ų6058%0.5832%0.324SS*.G310 helixtrans-61-9.1-177.161.90000114.6L74 D75S72-L74 PolarHBondContact O-N 3.2Å; S72-D75 WeakPolarHBondContact O-CB 3.46Å; S72-D75 PolarHBondContact O-N 3Å; S72-D75 VanDerWaalsContact O-N 3.16Å
73R94.6Very high93.5Very high63 Ų6362.1 Ų62.124%0.23834%0.339CS..G310 helixtrans-62.4-23.1172.3-66.9175-72.6168.7-5.7112.4V69 D71 D75 H76 I77 D187V69-R73 HydrophobicContact CG1-CB 3.86Å; D71-R73 VanDerWaalsContact CG-NE 3.26Å; D71-R73 PolarHBondContact O-N 3.45Å; D71-R73 WeakPolarHBondContact OD1-CB 3.43Å; D71-R73 WeakPolarHBondContact OD1-CG 3.36Å; D71-R73 IonicContact OD1-CZ 2.9Å; D71-R73 PolarHBondContact OD1-N 2.98Å; D71-R73 IonicContact OD1-NE 3.23Å; D71-R73 PolarHBondContact OD1-NE 3.31Å; D71-R73 IonicContact OD1-NH2 3.68Å; D71-R73 IonicContact OD2-CZ 3.2Å; D71-R73 IonicContact OD2-NE 2.64Å; D71-R73 PolarHBondContact OD2-NE 3.02Å; D71-R73 IonicContact OD2-NH2 3.62Å; D71-R73 PolarHBondContact OD2-NH2 3.48Å; R73-D75 PolarHBondContact O-N 3.45Å; R73-H76 PolarHBondContact O-N 3.37Å; R73-I77 HydrophobicContact CB-CD1 4.28Å; R73-I77 WeakPolarHBondContact O-CG1 3.35Å; R73-I77 PolarHBondContact O-N 2.93Å; R73-D187 IonicContact CZ-OD2 2.78Å; R73-D187 IonicContact NH1-OD2 3.27Å; R73-D187 PolarHBondContact NH1-OD2 3.24Å; R73-D187 IonicContact NH2-OD2 2.95Å
74L93.1Very high93.5Very high65 Ų6557.3 Ų57.334%0.3432%0.317SS..G310 helixtrans-59-25.9174.3-67.1177.6000113.2V69 D71 S72 H76 P185V69-L74 HydrophobicContact CB-CD2 4.22Å; V69-L74 HydrophobicContact CG1-CD2 3.97Å; V69-L74 HydrophobicContact CG1-CG 4.1Å; D71-L74 WeakPolarHBondContact O-CG 3.43Å; D71-L74 PolarHBondContact O-N 3.17Å; D71-L74 VanDerWaalsContact O-N 3.13Å; S72-L74 PolarHBondContact O-N 3.2Å; L74-H76 PolarHBondContact O-N 3.41Å; L74-P185 HydrophobicContact CD2-CG 4.05Å
75D89.4Confident93.2Very high117 Ų11760.9 Ų60.963%0.62633%0.334SS*.G310 helixtrans-73.6-17.7177.4-60-33.4000112.5S72 R73S72-D75 WeakPolarHBondContact O-CB 3.46Å; S72-D75 PolarHBondContact O-N 3Å; S72-D75 VanDerWaalsContact O-N 3.16Å; R73-D75 PolarHBondContact O-N 3.45Å
76H91.6Very high93Very high125 Ų12561 Ų6158%0.57933%0.327SS*.THydrogen-bonded Turntrans-109-13.5-176.4-58.2-53.7000113.6R73 L74R73-H76 PolarHBondContact O-N 3.37Å; L74-H76 PolarHBondContact O-N 3.41Å
77I96.6Very high92.8Very high6 Ų659.9 Ų59.93%0.03132%0.315CS..SBendtrans-106.8123.3-178.8-60.3167.9000108.8R73 F79 N99 V171 Y176 L178 P185R73-I77 HydrophobicContact CB-CD1 4.28Å; R73-I77 WeakPolarHBondContact O-CG1 3.35Å; R73-I77 PolarHBondContact O-N 2.93Å; I77-F79 PolarHBondContact O-N 2.9Å; I77-N99 WeakPolarHBondContact CA-OD1 3.36Å; I77-V171 HydrophobicContact CG1-CG1 4.3Å; I77-Y176 HydrophobicContact CD1-CD1 3.94Å; I77-Y176 HydrophobicContact CD1-CD2 4.14Å; I77-Y176 HydrophobicContact CD1-CE1 3.62Å; I77-Y176 HydrophobicContact CD1-CE2 3.83Å; I77-Y176 HydrophobicContact CD1-CG 4.18Å; I77-L178 HydrophobicContact CG2-CD2 4.1Å; I77-P185 HydrophobicContact CB-CG 4.48Å; I77-P185 HydrophobicContact CG2-CB 4.38Å; I77-P185 HydrophobicContact CG2-CG 3.84Å
78F97.9Very high92.4Very high11 Ų1157.2 Ų57.25%0.04830%0.297CS..  trans-72.3112.8166.3-175.9-86.8000109.2A80 I94 L98 N99 F114 K126F78-A80 HydrophobicContact CE1-CB 4.06Å; F78-A80 HydrophobicContact CZ-CB 4.22Å; F78-I94 HydrophobicContact CE1-CG2 4.06Å; F78-I94 HydrophobicContact CZ-CG2 4.43Å; F78-L98 HydrophobicContact CB-CB 3.89Å; F78-L98 HydrophobicContact CD1-CB 3.97Å; F78-L98 HydrophobicContact CD1-CD1 3.91Å; F78-L98 HydrophobicContact CD1-CG 4.48Å; F78-L98 HydrophobicContact CD2-CB 4.21Å; F78-L98 HydrophobicContact CD2-CD1 3.67Å; F78-L98 HydrophobicContact CE1-CD1 3.82Å; F78-L98 HydrophobicContact CE2-CD1 3.56Å; F78-L98 HydrophobicContact CG-CB 3.73Å; F78-L98 HydrophobicContact CG-CD1 3.85Å; F78-L98 HydrophobicContact CG-CG 4.44Å; F78-L98 HydrophobicContact CZ-CD1 3.65Å; F78-N99 PolarHBondContact N-OD1 3.07Å; F78-N99 PolarHBondContact O-ND2 3.19Å; F78-F114 HydrophobicContact CE2-CE1 4.1Å; F78-F114 AromaticContact CZ-CE1 3.82Å; F78-F114 HydrophobicContact CZ-CE1 3.82Å; F78-K126 HydrophobicContact CD2-CD 4.23Å; F78-K126 HydrophobicContact CE2-CB 4.5Å; F78-K126 HydrophobicContact CE2-CD 4.03Å; F78-K126 HydrophobicContact CE2-CG 4.24Å; F78-K126 HydrophobicContact CZ-CB 4.4Å
79F98.2Very high92.2Very high10 Ų1054.5 Ų54.54%0.04428%0.283CS..  trans-133.7129.7173.6176-98.3000109.6I77 K81 G123 K126 L178 D179 P185I77-F79 PolarHBondContact O-N 2.9Å; F79-K81 HydrophobicContact CE1-CG 3.75Å; F79-K81 HydrophobicContact CZ-CG 4.33Å; F79-G123 WeakPolarHBondContact O-CA 3.49Å; F79-K126 WeakPolarHBondContact O-CD 2.94Å; F79-L178 HydrophobicContact CD2-CD2 4.13Å; F79-D179 WeakPolarHBondContact CE2-O 3.47Å; F79-D179 WeakPolarHBondContact CZ-O 3.46Å; F79-P185 HydrophobicContact CB-CG 3.72Å; F79-P185 HydrophobicContact CD2-CG 4Å; F79-P185 HydrophobicContact CG-CG 3.86Å
80A97.3Very high92.1Very high1 Ų154.4 Ų54.41%0.00828%0.282CS..  trans-122.7133.8176.800000108.8F78 Q91 G123 K126F78-A80 HydrophobicContact CE1-CB 4.06Å; F78-A80 HydrophobicContact CZ-CB 4.22Å; A80-Q91 PolarHBondContact O-NE2 3.26Å; A80-G123 WeakPolarHBondContact CA-O 3.38Å; A80-K126 HydrophobicContact CB-CB 3.9Å
81K95.9Very high92.2Very high50 Ų5046.8 Ų46.822%0.21725%0.247CC..  trans-77.6143.8168.8-65.4-171.874.9172.30109.2F79 V83 Q91 G123 G127 G180 R182 E183F79-K81 HydrophobicContact CE1-CG 3.75Å; F79-K81 HydrophobicContact CZ-CG 4.33Å; K81-V83 PolarHBondContact O-N 3.5Å; K81-Q91 VanDerWaalsContact C-NE2 3.31Å; K81-G123 PolarHBondContact N-O 3.24Å; K81-G127 WeakPolarHBondContact O-CA 3.33Å; K81-G180 CarbonylContact C-O 3.52Å; K81-G180 WeakPolarHBondContact CA-O 3.45Å; K81-R182 WeakPolarHBondContact CE-O 3.44Å; K81-E183 IonicContact NZ-OE1 2.75Å; K81-E183 PolarHBondContact NZ-OE1 3.46Å; K81-E183 IonicContact NZ-OE2 2.7Å; K81-E183 PolarHBondContact NZ-OE2 2.88Å
82Q92.8Very high92.4Very high40 Ų4043.6 Ų43.619%0.18723%0.23CC..  trans-74.5118.4176.5-172.9172.3-58.100109.4I84 C88 Q91 G180 L181Q82-I84 VanDerWaalsContact CG-O 3.29Å; Q82-I84 WeakPolarHBondContact CG-O 3.49Å; Q82-C88 VanDerWaalsContact OE1-CB 3.28Å; Q82-Q91 VanDerWaalsContact N-NE2 3.17Å; Q82-G180 PolarHBondContact N-O 2.93Å; Q82-L181 HydrophobicContact CB-CD2 4.22Å
83V89.6Confident92.6Very high75 Ų7539.7 Ų39.746%0.45520%0.203SC..  trans-105.7-24.4-179.2-175.60000111.8K81 L128K81-V83 PolarHBondContact O-N 3.5Å; V83-L128 HydrophobicContact CG1-CD1 4.43Å
84I85.9Confident92.8Very high55 Ų5536.7 Ų36.728%0.28219%0.191SC..SBendtrans-124.1141.7179.1-54.1-168.2000109.9W8 Q82 S131W8-I84 HydrophobicContact CG-CG2 4.37Å; Q82-I84 VanDerWaalsContact CG-O 3.29Å; Q82-I84 WeakPolarHBondContact CG-O 3.49Å; I84-S131 VanDerWaalsContact CD1-CB 3.43Å
85N82.4Confident93Very high120 Ų12033.8 Ų33.864%0.64218%0.177SC*.THydrogen-bonded Turntrans-64.7156.7172.2-65-25.8000111.1A87N85-A87 PolarHBondContact O-N 3.5Å
86N84.8Confident93.4Very high58 Ų5828.2 Ų28.231%0.3115%0.147SC..THydrogen-bonded Turntrans66.6-7.9176.7-45.6-23.3000116.4W8 C9 L10 C88 H140W8-N86 HydrophobicContact CB-CB 4.4Å; W8-N86 WeakPolarHBondContact O-CB 3.35Å; W8-N86 PolarHBondContact O-ND2 2.95Å; W8-N86 VanDerWaalsContact O-ND2 3.13Å; C9-N86 WeakPolarHBondContact O-CB 3.4Å; L10-N86 HydrophobicContact CD2-CB 3.96Å; L10-N86 WeakPolarHBondContact CD2-OD1 3.43Å; L10-N86 HydrophobicContact CG-CB 4.24Å; N86-C88 VanDerWaalsContact C-N 3.26Å; N86-C88 PolarHBondContact O-N 3.26Å; N86-H140 PolarHBondContact O-CE1 3.22Å
87A88.1Confident93.7Very high4 Ų422.3 Ų22.33%0.03312%0.119CC..  trans-81.1-3.9173.800000113.7W8 N85 A89 T90 Q91W8-A87 HydrophobicContact CD2-CB 3.69Å; W8-A87 HydrophobicContact CE3-CB 3.53Å; W8-A87 HydrophobicContact CG-CB 4.14Å; W8-A87 HydrophobicContact CZ3-CB 3.99Å; N85-A87 PolarHBondContact O-N 3.5Å; A87-A89 PolarHBondContact O-N 3.39Å; A87-T90 PolarHBondContact O-N 3Å; A87-T90 VanDerWaalsContact O-N 3.13Å; A87-Q91 WeakPolarHBondContact O-CB 3.32Å; A87-Q91 PolarHBondContact O-N 2.88Å
88C87.4Confident93.8Very high18 Ų1822 Ų2212%0.12212%0.118CC..Hα-helixtrans-53.9-43.4-170.750.80000113.8Q82 N86 Q91 A92 F165Q82-C88 VanDerWaalsContact OE1-CB 3.28Å; N86-C88 VanDerWaalsContact C-N 3.26Å; N86-C88 PolarHBondContact O-N 3.26Å; C88-Q91 PolarHBondContact O-N 2.9Å; C88-A92 WeakPolarHBondContact O-CB 3.49Å; C88-A92 PolarHBondContact O-N 3.36Å; C88-F165 HydrophobicContact CB-CB 4.46Å; C88-F165 HydrophobicContact CB-CD2 4.18Å
89A91.9Very high93.7Very high1 Ų122.3 Ų22.31%0.00812%0.12CC..Hα-helixtrans-62.6-47.117800000112.6M11 F18 A87 A92 I93 F165M11-A89 HydrophobicContact CB-CB 4.33Å; M11-A89 HydrophobicContact CE-CB 3.37Å; F18-A89 HydrophobicContact CE1-CB 4.14Å; F18-A89 HydrophobicContact CE2-CB 4.41Å; F18-A89 HydrophobicContact CZ-CB 3.59Å; A87-A89 PolarHBondContact O-N 3.39Å; A89-A92 PolarHBondContact O-N 2.91Å; A89-I93 WeakPolarHBondContact O-CG1 3.39Å; A89-I93 PolarHBondContact O-N 3.09Å; A89-F165 HydrophobicContact CB-CD2 3.91Å; A89-F165 HydrophobicContact CB-CE2 3.69Å; A89-F165 HydrophobicContact CB-CZ 4.19Å
90T95.7Very high93.6Very high0 Ų022.8 Ų22.80%012%0.124CC..Hα-helixtrans-65.9-40177-71.30000111.7W8 F25 A87 A92 I93 I94 I136 H140W8-T90 HydrophobicContact CH2-CG2 4.26Å; W8-T90 HydrophobicContact CZ3-CG2 3.93Å; F25-T90 HydrophobicContact CE1-CG2 4.4Å; F25-T90 HydrophobicContact CE2-CG2 4.25Å; F25-T90 HydrophobicContact CZ-CG2 3.63Å; A87-T90 PolarHBondContact O-N 3Å; A87-T90 VanDerWaalsContact O-N 3.13Å; T90-A92 VanDerWaalsContact C-N 3.34Å; T90-A92 PolarHBondContact O-N 3.49Å; T90-I93 PolarHBondContact O-N 2.74Å; T90-I94 HydrophobicContact CG2-CD1 3.6Å; T90-I94 HydrophobicContact CG2-CG1 4.35Å; T90-I94 WeakPolarHBondContact O-CB 3.23Å; T90-I94 WeakPolarHBondContact O-CG1 3.43Å; T90-I94 PolarHBondContact O-N 2.88Å; T90-I136 HydrophobicContact CG2-CG2 3.59Å; T90-H140 PolarHBondContact OG1-ND1 2.89Å
91Q96.3Very high93.2Very high9 Ų928.4 Ų28.44%0.04216%0.163CC..Hα-helixtrans-63.4-40.5175.9-173.2172.3-25.500111.8A80 K81 Q82 A87 C88 S95 L130A80-Q91 PolarHBondContact O-NE2 3.26Å; K81-Q91 VanDerWaalsContact C-NE2 3.31Å; Q82-Q91 VanDerWaalsContact N-NE2 3.17Å; A87-Q91 WeakPolarHBondContact O-CB 3.32Å; A87-Q91 PolarHBondContact O-N 2.88Å; C88-Q91 PolarHBondContact O-N 2.9Å; Q91-S95 VanDerWaalsContact O-CB 3.24Å; Q91-S95 WeakPolarHBondContact O-CB 3.22Å; Q91-S95 PolarHBondContact O-N 3.25Å; Q91-S95 PolarHBondContact O-OG 3.08Å; Q91-L130 HydrophobicContact CB-CD2 3.9Å; Q91-L130 HydrophobicContact CG-CD2 3.88Å
92A97.3Very high93.1Very high5 Ų529 Ų294%0.04117%0.167CC..Hα-helixtrans-62.8-46.5175.100000111.9I53 C88 A89 T90 S95 V96 F165 S167I53-A92 HydrophobicContact CG1-CB 4.48Å; I53-A92 HydrophobicContact CG2-CB 4.12Å; C88-A92 WeakPolarHBondContact O-CB 3.49Å; C88-A92 PolarHBondContact O-N 3.36Å; A89-A92 PolarHBondContact O-N 2.91Å; T90-A92 VanDerWaalsContact C-N 3.34Å; T90-A92 PolarHBondContact O-N 3.49Å; A92-S95 WeakPolarHBondContact O-CB 3.42Å; A92-S95 PolarHBondContact O-N 3.17Å; A92-V96 PolarHBondContact O-N 3.25Å; A92-V96 VanDerWaalsContact O-N 3.16Å; A92-F165 HydrophobicContact CB-CB 3.85Å; A92-S167 VanDerWaalsContact C-OG 3.23Å; A92-S167 WeakPolarHBondContact CA-OG 3.39Å; A92-S167 WeakPolarHBondContact CB-OG 3.35Å; A92-S167 PolarHBondContact O-OG 3.12Å
93I98Very high93.2Very high0 Ų032.7 Ų32.70%019%0.194CC..Hα-helixtrans-58.7-52.7175.4-66.5167.1000110.7F18 L21 I22 F25 I53 A89 T90 S95 V96 L97 I223F18-I93 HydrophobicContact CB-CD1 4.23Å; F18-I93 HydrophobicContact CD1-CD1 4.46Å; F18-I93 HydrophobicContact CD2-CD1 3.53Å; F18-I93 HydrophobicContact CD2-CG1 3.73Å; F18-I93 HydrophobicContact CE2-CD1 3.91Å; F18-I93 HydrophobicContact CE2-CG1 3.97Å; F18-I93 HydrophobicContact CG-CD1 3.83Å; F18-I93 HydrophobicContact CG-CG1 4.49Å; L21-I93 HydrophobicContact CB-CD1 4.43Å; L21-I93 HydrophobicContact CD1-CD1 4.19Å; I22-I93 HydrophobicContact CD1-CG2 4.1Å; I22-I93 HydrophobicContact CG1-CG2 3.6Å; F25-I93 HydrophobicContact CE2-CG2 4.34Å; I53-I93 HydrophobicContact CD1-CB 4.38Å; I53-I93 HydrophobicContact CD1-CG1 3.61Å; A89-I93 WeakPolarHBondContact O-CG1 3.39Å; A89-I93 PolarHBondContact O-N 3.09Å; T90-I93 PolarHBondContact O-N 2.74Å; I93-S95 VanDerWaalsContact C-N 3.27Å; I93-S95 PolarHBondContact O-N 3.06Å; I93-V96 WeakPolarHBondContact O-CB 3.48Å; I93-V96 PolarHBondContact O-N 3.22Å; I93-L97 HydrophobicContact CG2-CD1 3.75Å; I93-L97 HydrophobicContact CG2-CG 4.1Å; I93-L97 WeakPolarHBondContact O-CG 3.24Å; I93-L97 PolarHBondContact O-N 3.17Å; I93-I223 HydrophobicContact CG2-CD1 4.41Å
94I97.8Very high93.3Very high0 Ų030.9 Ų30.90%018%0.182CC..Hα-helixtrans-63.5-36.1-178.1-72.1172.3000111.2F25 F78 T90 V96 L97 L98 L111 L130 I136F25-I94 HydrophobicContact CE2-CG1 4.47Å; F78-I94 HydrophobicContact CE1-CG2 4.06Å; F78-I94 HydrophobicContact CZ-CG2 4.43Å; T90-I94 HydrophobicContact CG2-CD1 3.6Å; T90-I94 HydrophobicContact CG2-CG1 4.35Å; T90-I94 WeakPolarHBondContact O-CB 3.23Å; T90-I94 WeakPolarHBondContact O-CG1 3.43Å; T90-I94 PolarHBondContact O-N 2.88Å; I94-V96 PolarHBondContact O-N 3.49Å; I94-L97 PolarHBondContact O-N 3.37Å; I94-L98 HydrophobicContact CG2-CD1 3.47Å; I94-L98 VanDerWaalsContact CG2-CD1 3.47Å; I94-L98 HydrophobicContact CG2-CG 3.79Å; I94-L98 WeakPolarHBondContact O-CB 3.21Å; I94-L98 WeakPolarHBondContact O-CG 3.05Å; I94-L98 PolarHBondContact O-N 3.47Å; I94-L111 HydrophobicContact CD1-CD2 4.34Å; I94-L111 HydrophobicContact CG1-CD2 4.23Å; I94-L130 HydrophobicContact CD1-CD1 3.43Å; I94-L130 VanDerWaalsContact CD1-CD1 3.43Å; I94-I136 HydrophobicContact CD1-CD1 3.99Å; I94-I136 HydrophobicContact CD1-CG2 3.85Å
95S97.7Very high93.8Very high5 Ų529 Ų294%0.03517%0.173CC..Hα-helixtrans-60.1-34.8173.7-61.40000111.8Q91 A92 I93 N99Q91-S95 VanDerWaalsContact O-CB 3.24Å; Q91-S95 WeakPolarHBondContact O-CB 3.22Å; Q91-S95 PolarHBondContact O-N 3.25Å; Q91-S95 PolarHBondContact O-OG 3.08Å; A92-S95 WeakPolarHBondContact O-CB 3.42Å; A92-S95 PolarHBondContact O-N 3.17Å; I93-S95 VanDerWaalsContact C-N 3.27Å; I93-S95 PolarHBondContact O-N 3.06Å; S95-N99 PolarHBondContact O-ND2 3.49Å
96V98.4Very high94.4Very high0 Ų028.6 Ų28.60%017%0.169CC..Hα-helixtrans-72.8-53.3172.3176.50000111.2I53 A92 I93 I94 L98 N99 C100 V169 I223I53-V96 HydrophobicContact CG1-CG2 4.27Å; A92-V96 PolarHBondContact O-N 3.25Å; A92-V96 VanDerWaalsContact O-N 3.16Å; I93-V96 WeakPolarHBondContact O-CB 3.48Å; I93-V96 PolarHBondContact O-N 3.22Å; I94-V96 PolarHBondContact O-N 3.49Å; V96-L98 PolarHBondContact O-N 3.23Å; V96-N99 PolarHBondContact O-N 3.34Å; V96-C100 PolarHBondContact O-N 2.72Å; V96-C100 VanDerWaalsContact O-N 3.15Å; V96-V169 HydrophobicContact CB-CG1 4.05Å; V96-V169 HydrophobicContact CG1-CG1 4.02Å; V96-V169 HydrophobicContact CG2-CG1 3.79Å; V96-I223 HydrophobicContact CB-CD1 3.65Å; V96-I223 HydrophobicContact CG1-CB 4.17Å; V96-I223 HydrophobicContact CG1-CD1 3.67Å; V96-I223 HydrophobicContact CG1-CG1 4.43Å; V96-I223 HydrophobicContact CG1-CG2 4.48Å; V96-I223 HydrophobicContact CG2-CD1 4.05Å
97L98.1Very high95Very high0 Ų026.9 Ų26.90%016%0.16CC..Hα-helixtrans-59.3-46.8-172.7-63.9-179.6000112.1I22 C27 I93 I94 N99 C100 M105 L107 L111 I223I22-L97 HydrophobicContact CG1-CD1 4.28Å; I22-L97 HydrophobicContact CG2-CD1 4.35Å; C27-L97 HydrophobicContact CB-CD1 4.38Å; I93-L97 HydrophobicContact CG2-CD1 3.75Å; I93-L97 HydrophobicContact CG2-CG 4.1Å; I93-L97 WeakPolarHBondContact O-CG 3.24Å; I93-L97 PolarHBondContact O-N 3.17Å; I94-L97 PolarHBondContact O-N 3.37Å; L97-N99 VanDerWaalsContact C-N 3.25Å; L97-N99 PolarHBondContact O-N 2.94Å; L97-C100 PolarHBondContact O-N 2.94Å; L97-M105 HydrophobicContact CD2-CE 4Å; L97-M105 HydrophobicContact CD2-SD 3.49Å; L97-M105 WeakPolarHBondContact CD2-SD 3.44Å; L97-L107 HydrophobicContact CB-CD2 3.97Å; L97-L107 WeakPolarHBondContact O-CD2 3.49Å; L97-L111 HydrophobicContact CB-CD1 4.46Å; L97-L111 HydrophobicContact CD1-CD1 3.59Å; L97-I223 HydrophobicContact CD2-CG2 4.36Å
98L97.9Very high95.4Very high0 Ų027.7 Ų27.70%017%0.169CC..THydrogen-bonded Turntrans-74.8-13.2-175.4-62-171.4000114.4F78 I94 V96 L107 L111 F114 R115F78-L98 HydrophobicContact CB-CB 3.89Å; F78-L98 HydrophobicContact CD1-CB 3.97Å; F78-L98 HydrophobicContact CD1-CD1 3.91Å; F78-L98 HydrophobicContact CD1-CG 4.48Å; F78-L98 HydrophobicContact CD2-CB 4.21Å; F78-L98 HydrophobicContact CD2-CD1 3.67Å; F78-L98 HydrophobicContact CE1-CD1 3.82Å; F78-L98 HydrophobicContact CE2-CD1 3.56Å; F78-L98 HydrophobicContact CG-CB 3.73Å; F78-L98 HydrophobicContact CG-CD1 3.85Å; F78-L98 HydrophobicContact CG-CG 4.44Å; F78-L98 HydrophobicContact CZ-CD1 3.65Å; I94-L98 HydrophobicContact CG2-CD1 3.47Å; I94-L98 VanDerWaalsContact CG2-CD1 3.47Å; I94-L98 HydrophobicContact CG2-CG 3.79Å; I94-L98 WeakPolarHBondContact O-CB 3.21Å; I94-L98 WeakPolarHBondContact O-CG 3.05Å; I94-L98 PolarHBondContact O-N 3.47Å; V96-L98 PolarHBondContact O-N 3.23Å; L98-L107 HydrophobicContact CD2-CD1 4.02Å; L98-L107 HydrophobicContact CD2-CD2 4.38Å; L98-L111 HydrophobicContact CD2-CB 4.17Å; L98-F114 HydrophobicContact CD1-CD1 3.9Å; L98-F114 HydrophobicContact CD1-CE1 4.15Å; L98-R115 HydrophobicContact CD1-CB 4.46Å; L98-R115 HydrophobicContact CD2-CB 4Å; L98-R115 HydrophobicContact CD2-CG 4.42Å
99N97.1Very high95.9Very high18 Ų1833 Ų3310%0.09620%0.196CC..THydrogen-bonded Turntrans-98.1-8.9172.9-76.1-60.4000113.3I77 F78 S95 V96 L97 V169 V171 L178I77-N99 WeakPolarHBondContact CA-OD1 3.36Å; F78-N99 PolarHBondContact N-OD1 3.07Å; F78-N99 PolarHBondContact O-ND2 3.19Å; S95-N99 PolarHBondContact O-ND2 3.49Å; V96-N99 PolarHBondContact O-N 3.34Å; L97-N99 VanDerWaalsContact C-N 3.25Å; L97-N99 PolarHBondContact O-N 2.94Å; N99-V169 HydrophobicContact CB-CG2 4.24Å; N99-V171 HydrophobicContact CB-CG2 3.95Å; N99-L178 VanDerWaalsContact ND2-CD1 3.34Å; N99-L178 WeakPolarHBondContact ND2-CD1 3.46Å
100C94.3Very high96.1Very high20 Ų2035 Ų3514%0.13521%0.208CC..  trans-93.1132.8179.7177.30000110.9V96 L97 M105V96-C100 PolarHBondContact O-N 2.72Å; V96-C100 VanDerWaalsContact O-N 3.15Å; L97-C100 PolarHBondContact O-N 2.94Å; C100-M105 HydrophobicContact CB-CE 3.44Å; C100-M105 VanDerWaalsContact CB-CE 3.44Å; C100-M105 WeakPolarHBondContact SG-CE 3.35Å
101S90.4Very high96.2Very high118 Ų11835 Ų3583%0.82521%0.208SC*.  trans-128.890.5170.6-169.10000107.6
102H93.6Very high96.2Very high62 Ų6237 Ų3729%0.28722%0.222SC..  trans-132.2138.4-178.6-169.6-87.4000109.9H50 D104 M105H50-H102 AromaticContact CE1-CG 3.48Å; H50-H102 VanDerWaalsContact CE1-CG 3.48Å; H50-H102 AromaticContact CE1-ND1 3.54Å; H50-H102 AromaticContact ND1-CG 3.92Å; H102-D104 IonicContact CE1-OD1 3.12Å; H102-D104 IonicContact CE1-OD2 2.69Å; H102-D104 PolarHBondContact CE1-OD2 2.59Å; H102-D104 VanDerWaalsContact CE1-OD2 3.23Å; H102-D104 WeakPolarHBondContact ND1-CB 3.38Å; H102-D104 PolarHBondContact ND1-N 2.63Å; H102-D104 IonicContact ND1-OD2 2.75Å; H102-D104 PolarHBondContact O-N 3.37Å; H102-D104 VanDerWaalsContact O-N 3.15Å; H102-M105 PolarHBondContact O-N 3.07Å
103P93.6Very high96.2Very high118 Ų11843 Ų4377%0.76625%0.249SC*.THydrogen-bonded Turntrans-57.5-31.1-176-26.834.8000114.8M105P103-M105 PolarHBondContact O-N 2.99Å
104D93.3Very high96.2Very high38 Ų3843.8 Ų43.820%0.20325%0.252CS..THydrogen-bonded Turntrans-69.3-19.6179.1-65.7-6.5000113.2G29 H102 S225 M229G29-D104 VanDerWaalsContact CA-O 3.32Å; G29-D104 WeakPolarHBondContact CA-O 3.35Å; H102-D104 IonicContact CE1-OD1 3.12Å; H102-D104 IonicContact CE1-OD2 2.69Å; H102-D104 PolarHBondContact CE1-OD2 2.59Å; H102-D104 VanDerWaalsContact CE1-OD2 3.23Å; H102-D104 WeakPolarHBondContact ND1-CB 3.38Å; H102-D104 PolarHBondContact ND1-N 2.63Å; H102-D104 IonicContact ND1-OD2 2.75Å; H102-D104 PolarHBondContact O-N 3.37Å; H102-D104 VanDerWaalsContact O-N 3.15Å; D104-S225 WeakPolarHBondContact CB-OG 3.18Å; D104-S225 WeakPolarHBondContact OD2-CB 3.23Å; D104-S225 PolarHBondContact OD2-OG 3.41Å; D104-M229 HydrophobicContact CB-CE 3.77Å
105M95.3Very high96.1Very high16 Ų1648.9 Ų48.98%0.07927%0.271CS..  trans-114.2127.9-170.7-169171.373.800112.3A30 L97 C100 H102 P103 L107A30-M105 HydrophobicContact CB-CG 4.12Å; A30-M105 HydrophobicContact CB-SD 3.78Å; L97-M105 HydrophobicContact CD2-CE 4Å; L97-M105 HydrophobicContact CD2-SD 3.49Å; L97-M105 WeakPolarHBondContact CD2-SD 3.44Å; C100-M105 HydrophobicContact CB-CE 3.44Å; C100-M105 VanDerWaalsContact CB-CE 3.44Å; C100-M105 WeakPolarHBondContact SG-CE 3.35Å; H102-M105 PolarHBondContact O-N 3.07Å; P103-M105 PolarHBondContact O-N 2.99Å; M105-L107 HydrophobicContact CE-CD2 4.22Å
106L96.5Very high96.1Very high110 Ų11055 Ų5558%0.57630%0.299SS*.BIsolated β-bridgetrans-116.8116.6176.8-58.5174.8000108.8C27 K28 G108C27-L106 CarbonylContact C-O 3.54Å; C27-L106 VanDerWaalsContact CA-O 3.24Å; C27-L106 WeakPolarHBondContact CA-O 3.41Å; C27-L106 PolarHBondContact SG-O 3.29Å; C27-L106 VanDerWaalsContact SG-O 3.4Å; K28-L106 HydrophobicContact CB-CB 4.44Å; K28-L106 PolarHBondContact N-O 3.02Å; K28-L106 PolarHBondContact O-N 3.3Å; L106-G108 PolarHBondContact O-N 3.45Å
107L96.3Very high96Very high22 Ų2261.2 Ų61.212%0.11533%0.326CS..  trans-61.5-29.7-175.7-68.8-179.9000113.9C27 L97 L98 M105 L111C27-L107 WeakPolarHBondContact CA-O 3.44Å; C27-L107 PolarHBondContact N-O 2.99Å; L97-L107 HydrophobicContact CB-CD2 3.97Å; L97-L107 WeakPolarHBondContact O-CD2 3.49Å; L98-L107 HydrophobicContact CD2-CD1 4.02Å; L98-L107 HydrophobicContact CD2-CD2 4.38Å; M105-L107 HydrophobicContact CE-CD2 4.22Å; L107-L111 HydrophobicContact CB-CB 4.07Å
108G96.4Very high95.9Very high21 Ų2161.2 Ų61.222%0.21633%0.326CS..Hα-helixtrans78167.8-171.100000112.4L106 T110 T112L106-G108 PolarHBondContact O-N 3.45Å; G108-T110 PolarHBondContact O-N 2.92Å; G108-T112 VanDerWaalsContact O-CB 3.29Å; G108-T112 WeakPolarHBondContact O-CB 3.33Å; G108-T112 PolarHBondContact O-N 2.95Å; G108-T112 PolarHBondContact O-OG1 3.3Å
109D97.4Very high95.7Very high130 Ų13067.7 Ų67.770%0.69536%0.357SS*.Hα-helixtrans-61.8-47.9-169-55.5-24.4000111.5L111 T112 E113D109-L111 PolarHBondContact O-N 3.31Å; D109-T112 PolarHBondContact O-N 3.15Å; D109-E113 WeakPolarHBondContact O-CB 3.23Å; D109-E113 VanDerWaalsContact O-CG 3.32Å; D109-E113 WeakPolarHBondContact O-CG 3.48Å; D109-E113 PolarHBondContact O-N 3.44Å
110T96.5Very high95.6Very high42 Ų4272.1 Ų72.126%0.25839%0.389SS..Hα-helixtrans-58-47.9-177.5-55.70000113.2G108 F114 V135 I136G108-T110 PolarHBondContact O-N 2.92Å; T110-F114 VanDerWaalsContact O-CB 3.25Å; T110-F114 WeakPolarHBondContact O-CB 3.42Å; T110-F114 PolarHBondContact O-N 3.03Å; T110-V135 HydrophobicContact CG2-CB 4.27Å; T110-V135 HydrophobicContact CG2-CG1 3.82Å; T110-I136 HydrophobicContact CG2-CG1 4.37Å
111L97.6Very high95.7Very high0 Ų074.2 Ų74.20%040%0.396CS..Hα-helixtrans-75.8-30.6-179.5-66.8-176.9000112.2F25 C27 I94 L97 L98 L107 D109 R115 I136F25-L111 HydrophobicContact CB-CD1 3.93Å; F25-L111 HydrophobicContact CB-CD2 4.17Å; F25-L111 HydrophobicContact CB-CG 3.99Å; C27-L111 HydrophobicContact CB-CD1 4.15Å; I94-L111 HydrophobicContact CD1-CD2 4.34Å; I94-L111 HydrophobicContact CG1-CD2 4.23Å; L97-L111 HydrophobicContact CB-CD1 4.46Å; L97-L111 HydrophobicContact CD1-CD1 3.59Å; L98-L111 HydrophobicContact CD2-CB 4.17Å; L107-L111 HydrophobicContact CB-CB 4.07Å; D109-L111 PolarHBondContact O-N 3.31Å; L111-R115 WeakPolarHBondContact O-CB 3.47Å; L111-R115 PolarHBondContact O-N 3.49Å; L111-I136 HydrophobicContact CD2-CD1 4.42Å
112T97.4Very high95.9Very high53 Ų5373.4 Ų73.433%0.32538%0.382SS..Hα-helixtrans-66.6-51.6175.2-560000110.6G108 D109 F114 R115 E116G108-T112 VanDerWaalsContact O-CB 3.29Å; G108-T112 WeakPolarHBondContact O-CB 3.33Å; G108-T112 PolarHBondContact O-N 2.95Å; G108-T112 PolarHBondContact O-OG1 3.3Å; D109-T112 PolarHBondContact O-N 3.15Å; T112-F114 VanDerWaalsContact C-N 3.31Å; T112-F114 PolarHBondContact O-N 3.41Å; T112-R115 WeakPolarHBondContact O-CB 3.34Å; T112-R115 PolarHBondContact O-N 2.96Å; T112-R115 VanDerWaalsContact O-N 3.15Å; T112-E116 WeakPolarHBondContact O-CG 3.5Å; T112-E116 PolarHBondContact O-N 3.17Å
113E97.4Very high96Very high131 Ų13171.3 Ų71.361%0.61238%0.378SS*.Hα-helixtrans-58.5-43.3175.9-72.2175.6-177.800111.4D109 R115 E116 F117D109-E113 WeakPolarHBondContact O-CB 3.23Å; D109-E113 VanDerWaalsContact O-CG 3.32Å; D109-E113 WeakPolarHBondContact O-CG 3.48Å; D109-E113 PolarHBondContact O-N 3.44Å; E113-R115 VanDerWaalsContact C-N 3.35Å; E113-R115 PolarHBondContact O-N 3.32Å; E113-E116 PolarHBondContact O-N 2.71Å; E113-F117 VanDerWaalsContact O-CB 3.23Å; E113-F117 WeakPolarHBondContact O-CB 3.27Å; E113-F117 PolarHBondContact O-N 3.21Å
114F97.8Very high96Very high16 Ų1667.6 Ų67.67%0.0736%0.357CS..Hα-helixtrans-63.2-40.5177.6-178.3-99000112.4F78 L98 T110 T112 S118 A129 L130 I136F78-F114 HydrophobicContact CE2-CE1 4.1Å; F78-F114 AromaticContact CZ-CE1 3.82Å; F78-F114 HydrophobicContact CZ-CE1 3.82Å; L98-F114 HydrophobicContact CD1-CD1 3.9Å; L98-F114 HydrophobicContact CD1-CE1 4.15Å; T110-F114 VanDerWaalsContact O-CB 3.25Å; T110-F114 WeakPolarHBondContact O-CB 3.42Å; T110-F114 PolarHBondContact O-N 3.03Å; T112-F114 VanDerWaalsContact C-N 3.31Å; T112-F114 PolarHBondContact O-N 3.41Å; F114-S118 WeakPolarHBondContact O-CB 3.43Å; F114-S118 PolarHBondContact O-N 3.12Å; F114-S118 VanDerWaalsContact O-N 3.07Å; F114-S118 PolarHBondContact O-OG 2.82Å; F114-A129 HydrophobicContact CE2-CB 4Å; F114-A129 HydrophobicContact CZ-CB 4.29Å; F114-L130 HydrophobicContact CE1-CD1 4.41Å; F114-L130 HydrophobicContact CE2-CB 4.44Å; F114-L130 HydrophobicContact CZ-CB 3.74Å; F114-L130 HydrophobicContact CZ-CD1 4.2Å; F114-I136 HydrophobicContact CD2-CD1 4.34Å; F114-I136 HydrophobicContact CG-CD1 4.28Å
115R96.1Very high96.2Very high106 Ų10669.9 Ų69.940%0.437%0.367SS..Hα-helixtrans-62.6-46.8176.1-174.3-176.7179.6-177.62.5111.4L98 L111 T112 E113 S118 Q119L98-R115 HydrophobicContact CD1-CB 4.46Å; L98-R115 HydrophobicContact CD2-CB 4Å; L98-R115 HydrophobicContact CD2-CG 4.42Å; L111-R115 WeakPolarHBondContact O-CB 3.47Å; L111-R115 PolarHBondContact O-N 3.49Å; T112-R115 WeakPolarHBondContact O-CB 3.34Å; T112-R115 PolarHBondContact O-N 2.96Å; T112-R115 VanDerWaalsContact O-N 3.15Å; E113-R115 VanDerWaalsContact C-N 3.35Å; E113-R115 PolarHBondContact O-N 3.32Å; R115-S118 PolarHBondContact O-N 2.94Å; R115-Q119 WeakPolarHBondContact O-CB 3.45Å; R115-Q119 PolarHBondContact O-N 2.99Å; R115-Q119 VanDerWaalsContact O-N 3.09Å
116E96.4Very high96.3Very high133 Ų13369.9 Ų69.962%0.62137%0.367SS*.Hα-helixtrans-64.7-46179.2-70.5179179.900111.5T112 E113 S118 Q119T112-E116 WeakPolarHBondContact O-CG 3.5Å; T112-E116 PolarHBondContact O-N 3.17Å; E113-E116 PolarHBondContact O-N 2.71Å; E116-S118 VanDerWaalsContact C-N 3.3Å; E116-S118 PolarHBondContact O-N 2.88Å; E116-Q119 PolarHBondContact O-N 3.38Å
117F96.6Very high96.2Very high131 Ų13164.8 Ų64.858%0.57534%0.341SS*.Hα-helixtrans-59.4-40178.7172.5-106.4000112.8E113 F121 A129E113-F117 VanDerWaalsContact O-CB 3.23Å; E113-F117 WeakPolarHBondContact O-CB 3.27Å; E113-F117 PolarHBondContact O-N 3.21Å; F117-F121 HydrophobicContact CD1-CE2 4.14Å; F117-F121 AromaticContact CE1-CE2 3.65Å; F117-F121 HydrophobicContact CE1-CE2 3.65Å; F117-F121 HydrophobicContact CE1-CZ 4.03Å; F117-F121 HydrophobicContact CE2-CZ 4.36Å; F117-F121 HydrophobicContact CZ-CE2 4Å; F117-F121 AromaticContact CZ-CZ 3.92Å; F117-F121 HydrophobicContact CZ-CZ 3.92Å; F117-A129 HydrophobicContact CE1-CB 4.15Å
118S96.1Very high96.2Very high0 Ų067 Ų670%035%0.353CS..THydrogen-bonded Turntrans-98.34.8-173.565.70000114.2F114 R115 E116 S120 F121 K126F114-S118 WeakPolarHBondContact O-CB 3.43Å; F114-S118 PolarHBondContact O-N 3.12Å; F114-S118 VanDerWaalsContact O-N 3.07Å; F114-S118 PolarHBondContact O-OG 2.82Å; R115-S118 PolarHBondContact O-N 2.94Å; E116-S118 VanDerWaalsContact C-N 3.3Å; E116-S118 PolarHBondContact O-N 2.88Å; S118-S120 VanDerWaalsContact C-N 3.33Å; S118-S120 PolarHBondContact O-N 3.42Å; S118-F121 WeakPolarHBondContact O-CB 3.44Å; S118-F121 PolarHBondContact O-N 3.42Å; S118-F121 VanDerWaalsContact O-N 3.15Å; S118-K126 WeakPolarHBondContact O-CE 3.29Å
119Q94.1Very high96.2Very high136 Ų13666.7 Ų66.764%0.63635%0.349SS*.THydrogen-bonded Turntrans-57.5-43.7-171.5-174176.43.100113R115 E116 F121 K126R115-Q119 WeakPolarHBondContact O-CB 3.45Å; R115-Q119 PolarHBondContact O-N 2.99Å; R115-Q119 VanDerWaalsContact O-N 3.09Å; E116-Q119 PolarHBondContact O-N 3.38Å; Q119-F121 VanDerWaalsContact C-N 3.33Å; Q119-K126 PolarHBondContact O-NZ 3.2Å
120S93.9Very high96.1Very high111 Ų11160.7 Ų60.778%0.77632%0.316SS*.THydrogen-bonded Turntrans-86.1-0.3-176.557.90000114.5S118S118-S120 VanDerWaalsContact C-N 3.33Å; S118-S120 PolarHBondContact O-N 3.42Å
121F96.4Very high96Very high64 Ų6459.1 Ų59.128%0.28131%0.307SS..  trans-81.3148.9-177.9-68.4-2.6000111.7F117 S118 Q119 M125 K126 A129F117-F121 HydrophobicContact CD1-CE2 4.14Å; F117-F121 AromaticContact CE1-CE2 3.65Å; F117-F121 HydrophobicContact CE1-CE2 3.65Å; F117-F121 HydrophobicContact CE1-CZ 4.03Å; F117-F121 HydrophobicContact CE2-CZ 4.36Å; F117-F121 HydrophobicContact CZ-CE2 4Å; F117-F121 AromaticContact CZ-CZ 3.92Å; F117-F121 HydrophobicContact CZ-CZ 3.92Å; S118-F121 WeakPolarHBondContact O-CB 3.44Å; S118-F121 PolarHBondContact O-N 3.42Å; S118-F121 VanDerWaalsContact O-N 3.15Å; Q119-F121 VanDerWaalsContact C-N 3.33Å; F121-M125 HydrophobicContact CB-CB 3.74Å; F121-M125 HydrophobicContact CD2-CB 4.08Å; F121-M125 HydrophobicContact CG-CB 3.94Å; F121-K126 HydrophobicContact CB-CG 3.75Å; F121-K126 WeakPolarHBondContact O-CE 3.4Å; F121-K126 PolarHBondContact O-NZ 3.5Å; F121-K126 VanDerWaalsContact O-NZ 3.16Å; F121-A129 HydrophobicContact CD2-CB 4.25Å; F121-A129 HydrophobicContact CE2-CB 4.15Å
122D95.1Very high95.8Very high101 Ų10164.3 Ų64.354%0.5434%0.335SS..  trans-70.1172.8166.670.126.9000111.4A124 M125 K126D122-A124 VanDerWaalsContact C-N 3.27Å; D122-A124 PolarHBondContact O-N 3.33Å; D122-A124 PolarHBondContact OD1-N 3.4Å; D122-M125 PolarHBondContact O-N 2.76Å; D122-M125 WeakPolarHBondContact OD1-CB 3.28Å; D122-M125 WeakPolarHBondContact OD1-CG 3.44Å; D122-M125 PolarHBondContact OD1-N 3.42Å; D122-K126 WeakPolarHBondContact O-CB 3.44Å; D122-K126 WeakPolarHBondContact O-CG 3.2Å; D122-K126 PolarHBondContact O-N 2.69Å
123G95.1Very high95.7Very high19 Ų1963 Ų6320%0.19633%0.327CS..Hα-helixtrans-59.1-35.5-177.700000113.7F79 A80 K81 G127F79-G123 WeakPolarHBondContact O-CA 3.49Å; A80-G123 WeakPolarHBondContact CA-O 3.38Å; K81-G123 PolarHBondContact N-O 3.24Å; G123-G127 PolarHBondContact O-N 3.26Å; G123-G127 VanDerWaalsContact O-N 3.09Å
124A95.3Very high95.5Very high39 Ų3962.1 Ų62.132%0.32232%0.324SS..Hα-helixtrans-72.1-43.718000000111.6D122 G127 L128D122-A124 VanDerWaalsContact C-N 3.27Å; D122-A124 PolarHBondContact O-N 3.33Å; D122-A124 PolarHBondContact OD1-N 3.4Å; A124-G127 PolarHBondContact O-N 3.08Å; A124-L128 PolarHBondContact O-N 3.23Å
125M96.1Very high95.4Very high86 Ų8664.9 Ų64.942%0.42434%0.342SS..Hα-helixtrans-68.5-36.5177.3-69.7-5999.400111.9F121 D122 G127 L128 A129F121-M125 HydrophobicContact CB-CB 3.74Å; F121-M125 HydrophobicContact CD2-CB 4.08Å; F121-M125 HydrophobicContact CG-CB 3.94Å; D122-M125 PolarHBondContact O-N 2.76Å; D122-M125 WeakPolarHBondContact OD1-CB 3.28Å; D122-M125 WeakPolarHBondContact OD1-CG 3.44Å; D122-M125 PolarHBondContact OD1-N 3.42Å; M125-G127 VanDerWaalsContact C-N 3.32Å; M125-G127 PolarHBondContact O-N 2.89Å; M125-L128 HydrophobicContact CE-CD2 3.99Å; M125-L128 PolarHBondContact O-N 2.65Å; M125-L128 HydrophobicContact SD-CD2 4.33Å; M125-A129 VanDerWaalsContact O-CB 3.27Å; M125-A129 WeakPolarHBondContact O-CB 3.47Å; M125-A129 PolarHBondContact O-N 2.86Å
126K97.5Very high95.4Very high16 Ų1659.9 Ų59.97%0.0732%0.323CS..Hα-helixtrans-59.3-43.8169.2-75.1174.8173.41550111.4F78 F79 A80 S118 Q119 F121 D122 A129 L130F78-K126 HydrophobicContact CD2-CD 4.23Å; F78-K126 HydrophobicContact CE2-CB 4.5Å; F78-K126 HydrophobicContact CE2-CD 4.03Å; F78-K126 HydrophobicContact CE2-CG 4.24Å; F78-K126 HydrophobicContact CZ-CB 4.4Å; F79-K126 WeakPolarHBondContact O-CD 2.94Å; A80-K126 HydrophobicContact CB-CB 3.9Å; S118-K126 WeakPolarHBondContact O-CE 3.29Å; Q119-K126 PolarHBondContact O-NZ 3.2Å; F121-K126 HydrophobicContact CB-CG 3.75Å; F121-K126 WeakPolarHBondContact O-CE 3.4Å; F121-K126 PolarHBondContact O-NZ 3.5Å; F121-K126 VanDerWaalsContact O-NZ 3.16Å; D122-K126 WeakPolarHBondContact O-CB 3.44Å; D122-K126 WeakPolarHBondContact O-CG 3.2Å; D122-K126 PolarHBondContact O-N 2.69Å; K126-A129 PolarHBondContact O-N 2.9Å; K126-L130 WeakPolarHBondContact O-CB 3.37Å; K126-L130 PolarHBondContact O-N 3.43Å
127G95.6Very high95.3Very high3 Ų355.1 Ų55.13%0.03130%0.299CS..Hα-helixtrans-60.8-46.3174.900000113.7K81 G123 A124 M125 L130 S131K81-G127 WeakPolarHBondContact O-CA 3.33Å; G123-G127 PolarHBondContact O-N 3.26Å; G123-G127 VanDerWaalsContact O-N 3.09Å; A124-G127 PolarHBondContact O-N 3.08Å; M125-G127 VanDerWaalsContact C-N 3.32Å; M125-G127 PolarHBondContact O-N 2.89Å; G127-L130 PolarHBondContact O-N 2.7Å; G127-S131 WeakPolarHBondContact O-CB 3.25Å; G127-S131 PolarHBondContact O-N 3.42Å
128L95.3Very high95.1Very high68 Ų6854.1 Ų54.136%0.35630%0.296SS..Hα-helixtrans-67.6-39.3178.4-177.462.7000112.2V83 A124 M125 L130 S131 N132V83-L128 HydrophobicContact CG1-CD1 4.43Å; A124-L128 PolarHBondContact O-N 3.23Å; M125-L128 HydrophobicContact CE-CD2 3.99Å; M125-L128 PolarHBondContact O-N 2.65Å; M125-L128 HydrophobicContact SD-CD2 4.33Å; L128-L130 VanDerWaalsContact C-N 3.35Å; L128-S131 PolarHBondContact O-N 3.01Å; L128-S131 PolarHBondContact O-OG 2.8Å; L128-N132 WeakPolarHBondContact CD1-ND2 3.08Å; L128-N132 WeakPolarHBondContact O-CB 3.49Å; L128-N132 PolarHBondContact O-N 3.3Å; L128-N132 VanDerWaalsContact O-N 3.11Å; L128-N132 PolarHBondContact O-ND2 3.27Å; L128-N132 VanDerWaalsContact O-ND2 3.08Å
129A96.5Very high95.1Very high16 Ų1655.1 Ų55.113%0.13230%0.302CS..Hα-helixtrans-62.2-44.6174.300000110.8F114 F117 F121 M125 K126 S131 N132 S133F114-A129 HydrophobicContact CE2-CB 4Å; F114-A129 HydrophobicContact CZ-CB 4.29Å; F117-A129 HydrophobicContact CE1-CB 4.15Å; F121-A129 HydrophobicContact CD2-CB 4.25Å; F121-A129 HydrophobicContact CE2-CB 4.15Å; M125-A129 VanDerWaalsContact O-CB 3.27Å; M125-A129 WeakPolarHBondContact O-CB 3.47Å; M125-A129 PolarHBondContact O-N 2.86Å; K126-A129 PolarHBondContact O-N 2.9Å; A129-S131 VanDerWaalsContact C-N 3.35Å; A129-S131 PolarHBondContact O-N 3.03Å; A129-N132 PolarHBondContact O-N 3.29Å; A129-S133 PolarHBondContact O-N 3.01Å; A129-S133 VanDerWaalsContact O-N 3.15Å
130L96.1Very high95.1Very high3 Ų348.7 Ų48.72%0.01627%0.272CS..Hα-helixtrans-59.8-47.3176.3176.260.7000111Q91 I94 F114 K126 G127 L128 N132 S133 I136Q91-L130 HydrophobicContact CB-CD2 3.9Å; Q91-L130 HydrophobicContact CG-CD2 3.88Å; I94-L130 HydrophobicContact CD1-CD1 3.43Å; I94-L130 VanDerWaalsContact CD1-CD1 3.43Å; F114-L130 HydrophobicContact CE1-CD1 4.41Å; F114-L130 HydrophobicContact CE2-CB 4.44Å; F114-L130 HydrophobicContact CZ-CB 3.74Å; F114-L130 HydrophobicContact CZ-CD1 4.2Å; K126-L130 WeakPolarHBondContact O-CB 3.37Å; K126-L130 PolarHBondContact O-N 3.43Å; G127-L130 PolarHBondContact O-N 2.7Å; L128-L130 VanDerWaalsContact C-N 3.35Å; L130-N132 PolarHBondContact O-N 3.27Å; L130-S133 WeakPolarHBondContact O-CB 3.49Å; L130-S133 PolarHBondContact O-N 3.25Å; L130-S133 VanDerWaalsContact O-N 3.15Å; L130-I136 HydrophobicContact CD1-CD1 3.84Å; L130-I136 HydrophobicContact CD1-CG2 4.03Å
131S93.1Very high95Very high9 Ų945.6 Ų45.66%0.06325%0.247CC..Hα-helixtrans-66.6-27.5-175.377.70000113.6W8 I84 G127 L128 A129W8-S131 PolarHBondContact NE1-O 3.04Å; I84-S131 VanDerWaalsContact CD1-CB 3.43Å; G127-S131 WeakPolarHBondContact O-CB 3.25Å; G127-S131 PolarHBondContact O-N 3.42Å; L128-S131 PolarHBondContact O-N 3.01Å; L128-S131 PolarHBondContact O-OG 2.8Å; A129-S131 VanDerWaalsContact C-N 3.35Å; A129-S131 PolarHBondContact O-N 3.03Å
132N93.6Very high94.7Very high110 Ų11045 Ų4559%0.58825%0.251SS*.Hα-helixtrans-92-4.4177.9-70.4-33.1000113.6L128 A129 L130 E134L128-N132 WeakPolarHBondContact CD1-ND2 3.08Å; L128-N132 WeakPolarHBondContact O-CB 3.49Å; L128-N132 PolarHBondContact O-N 3.3Å; L128-N132 VanDerWaalsContact O-N 3.11Å; L128-N132 PolarHBondContact O-ND2 3.27Å; L128-N132 VanDerWaalsContact O-ND2 3.08Å; A129-N132 PolarHBondContact O-N 3.29Å; L130-N132 PolarHBondContact O-N 3.27Å; N132-E134 PolarHBondContact O-N 2.86Å
133S95.3Very high94.3Very high24 Ų2441.3 Ų41.317%0.16823%0.23CC..  trans-69.9105.3176.3179.40000110.4A129 L130 V135 I136 R137A129-S133 PolarHBondContact O-N 3.01Å; A129-S133 VanDerWaalsContact O-N 3.15Å; L130-S133 WeakPolarHBondContact O-CB 3.49Å; L130-S133 PolarHBondContact O-N 3.25Å; L130-S133 VanDerWaalsContact O-N 3.15Å; S133-V135 PolarHBondContact O-N 3.35Å; S133-I136 PolarHBondContact O-N 3.4Å; S133-I136 WeakPolarHBondContact OG-CD1 3.43Å; S133-I136 VanDerWaalsContact OG-CG1 3.31Å; S133-I136 WeakPolarHBondContact OG-CG1 3.32Å; S133-R137 VanDerWaalsContact O-CB 3.25Å; S133-R137 WeakPolarHBondContact O-CB 3.47Å; S133-R137 PolarHBondContact O-N 3.11Å
134E93.8Very high93.6Very high114 Ų11441.6 Ų41.653%0.53323%0.231SC..Hα-helixtrans-62.9-42.4-178.2-177169.7-167.400112N132 R137 Q138N132-E134 PolarHBondContact O-N 2.86Å; E134-R137 PolarHBondContact O-N 3.08Å; E134-Q138 HydrophobicContact CG-CG 4.13Å; E134-Q138 WeakPolarHBondContact O-CB 3.48Å; E134-Q138 VanDerWaalsContact O-CG 3.24Å; E134-Q138 WeakPolarHBondContact O-CG 3.49Å; E134-Q138 PolarHBondContact O-N 3.11Å; E134-Q138 PolarHBondContact OE1-NE2 3.29Å
135V95.1Very high92.6Very high74 Ų7447.2 Ų47.245%0.44824%0.243SC..Hα-helixtrans-61.3-49.2179.7-179.30000110.8T110 S133 R137 Q138 V139T110-V135 HydrophobicContact CG2-CB 4.27Å; T110-V135 HydrophobicContact CG2-CG1 3.82Å; S133-V135 PolarHBondContact O-N 3.35Å; V135-R137 VanDerWaalsContact C-N 3.35Å; V135-R137 PolarHBondContact O-N 3.38Å; V135-Q138 PolarHBondContact O-N 3.43Å; V135-V139 WeakPolarHBondContact O-CG2 3.48Å; V135-V139 PolarHBondContact O-N 3.48Å
136I95.8Very high91.5Very high0 Ų047 Ų470%024%0.242CC..Hα-helixtrans-63.2-44.3179.8-64.6173.8000110.1W8 F25 T90 I94 T110 L111 F114 L130 S133 V139 H140W8-I136 HydrophobicContact CH2-CG2 3.95Å; F25-I136 HydrophobicContact CD1-CG2 4.35Å; F25-I136 HydrophobicContact CE1-CB 4.36Å; F25-I136 HydrophobicContact CE1-CG2 3.72Å; F25-I136 HydrophobicContact CZ-CG2 4.17Å; T90-I136 HydrophobicContact CG2-CG2 3.59Å; I94-I136 HydrophobicContact CD1-CD1 3.99Å; I94-I136 HydrophobicContact CD1-CG2 3.85Å; T110-I136 HydrophobicContact CG2-CG1 4.37Å; L111-I136 HydrophobicContact CD2-CD1 4.42Å; F114-I136 HydrophobicContact CD2-CD1 4.34Å; F114-I136 HydrophobicContact CG-CD1 4.28Å; L130-I136 HydrophobicContact CD1-CD1 3.84Å; L130-I136 HydrophobicContact CD1-CG2 4.03Å; S133-I136 PolarHBondContact O-N 3.4Å; S133-I136 WeakPolarHBondContact OG-CD1 3.43Å; S133-I136 VanDerWaalsContact OG-CG1 3.31Å; S133-I136 WeakPolarHBondContact OG-CG1 3.32Å; I136-V139 PolarHBondContact O-N 2.87Å; I136-H140 WeakPolarHBondContact O-CB 3.44Å; I136-H140 PolarHBondContact O-N 3.49Å
137R94.8Very high90Very high34 Ų3453.7 Ų53.713%0.12827%0.273CS..Hα-helixtrans-65-40.5179.5-174.8173.757.381.2-0.5112.6A5 W8 S133 E134 V135 H140 N141A5-R137 PolarHBondContact O-NH1 2.89Å; A5-R137 PolarHBondContact O-NH2 3.06Å; W8-R137 HydrophobicContact CD2-CG 4.1Å; W8-R137 HydrophobicContact CG-CG 4.43Å; W8-R137 HydrophobicContact CH2-CB 4.15Å; W8-R137 HydrophobicContact CZ2-CB 3.74Å; W8-R137 HydrophobicContact CZ2-CG 4.02Å; S133-R137 VanDerWaalsContact O-CB 3.25Å; S133-R137 WeakPolarHBondContact O-CB 3.47Å; S133-R137 PolarHBondContact O-N 3.11Å; E134-R137 PolarHBondContact O-N 3.08Å; V135-R137 VanDerWaalsContact C-N 3.35Å; V135-R137 PolarHBondContact O-N 3.38Å; R137-H140 PolarHBondContact O-N 3.03Å; R137-N141 WeakPolarHBondContact O-CB 3.44Å; R137-N141 PolarHBondContact O-N 3.49Å
138Q93.6Very high88.3Confident109 Ų10957.2 Ų57.251%0.50929%0.29SS..Hα-helixtrans-63-44.3175.7-76.8-179.55.800111.1E134 V135 S142E134-Q138 HydrophobicContact CG-CG 4.13Å; E134-Q138 WeakPolarHBondContact O-CB 3.48Å; E134-Q138 VanDerWaalsContact O-CG 3.24Å; E134-Q138 WeakPolarHBondContact O-CG 3.49Å; E134-Q138 PolarHBondContact O-N 3.11Å; E134-Q138 PolarHBondContact OE1-NE2 3.29Å; V135-Q138 PolarHBondContact O-N 3.43Å; Q138-S142 WeakPolarHBondContact O-CB 3.25Å; Q138-S142 PolarHBondContact O-N 3.37Å
139V94.8Very high86.9Confident22 Ų2259.5 Ų59.513%0.13330%0.297CS..Hα-helixtrans-60.6-50.4175.1171.50000110.3L21 G24 F25 V135 I136 N141 S142 F143L21-V139 HydrophobicContact CD2-CG1 4.1Å; G24-V139 WeakPolarHBondContact O-CG2 3.46Å; F25-V139 HydrophobicContact CD1-CB 3.91Å; F25-V139 HydrophobicContact CD1-CG1 3.62Å; F25-V139 HydrophobicContact CD1-CG2 4.38Å; F25-V139 HydrophobicContact CE1-CB 3.77Å; F25-V139 HydrophobicContact CE1-CG1 3.53Å; F25-V139 HydrophobicContact CZ-CG1 4.36Å; V135-V139 WeakPolarHBondContact O-CG2 3.48Å; V135-V139 PolarHBondContact O-N 3.48Å; I136-V139 PolarHBondContact O-N 2.87Å; V139-N141 PolarHBondContact O-N 3.05Å; V139-S142 WeakPolarHBondContact O-CB 3.34Å; V139-S142 PolarHBondContact O-N 3.23Å; V139-S142 VanDerWaalsContact O-N 3.15Å; V139-S142 PolarHBondContact O-OG 3.03Å; V139-F143 HydrophobicContact CG1-CE2 4.26Å; V139-F143 WeakPolarHBondContact O-CD2 3.42Å
140H94.2Very high84.8Confident0 Ų068.1 Ų68.10%034%0.335CS..Hα-helixtrans-53.3-56176.5172.4102.4000111.9W8 C9 N86 T90 I136 R137 S142 F143W8-H140 HydrophobicContact CE3-CB 4.11Å; W8-H140 AromaticContact CE3-CD2 3.55Å; W8-H140 AromaticContact CE3-CE1 3.78Å; W8-H140 AromaticContact CE3-CG 3.55Å; W8-H140 AromaticContact CE3-ND1 3.7Å; W8-H140 AromaticContact CE3-NE2 3.7Å; W8-H140 HydrophobicContact CZ3-CB 3.8Å; W8-H140 AromaticContact CZ3-CG 3.66Å; W8-H140 AromaticContact CZ3-ND1 3.77Å; C9-H140 PolarHBondContact O-NE2 2.96Å; C9-H140 PolarHBondContact SG-CD2 3.08Å; C9-H140 PolarHBondContact SG-NE2 3.41Å; N86-H140 PolarHBondContact O-CE1 3.22Å; T90-H140 PolarHBondContact OG1-ND1 2.89Å; I136-H140 WeakPolarHBondContact O-CB 3.44Å; I136-H140 PolarHBondContact O-N 3.49Å; R137-H140 PolarHBondContact O-N 3.03Å; H140-S142 PolarHBondContact O-N 3.29Å; H140-F143 PolarHBondContact O-N 3.31Å
141N91.8Very high82.6Confident46 Ų4675.7 Ų75.725%0.24637%0.367CS..Hα-helixtrans-65.9-21.1-178.4-76.7-17.2000112.9E7 C9 R137 V139 F143 A144E7-N141 PolarHBondContact O-ND2 3.45Å; C9-N141 PolarHBondContact N-OD1 3.36Å; C9-N141 PolarHBondContact SG-OD1 3.11Å; R137-N141 WeakPolarHBondContact O-CB 3.44Å; R137-N141 PolarHBondContact O-N 3.49Å; V139-N141 PolarHBondContact O-N 3.05Å; N141-F143 PolarHBondContact O-N 3.1Å; N141-A144 WeakPolarHBondContact O-CB 3.35Å; N141-A144 PolarHBondContact O-N 3.2Å; N141-A144 VanDerWaalsContact O-N 3.13Å
142S90Very high80.1Confident53 Ų5381.6 Ų81.637%0.37140%0.399SS..Hα-helixtrans-63.2-24.6174.884.80000112Q138 V139 H140 K289Q138-S142 WeakPolarHBondContact O-CB 3.25Å; Q138-S142 PolarHBondContact O-N 3.37Å; V139-S142 WeakPolarHBondContact O-CB 3.34Å; V139-S142 PolarHBondContact O-N 3.23Å; V139-S142 VanDerWaalsContact O-N 3.15Å; V139-S142 PolarHBondContact O-OG 3.03Å; H140-S142 PolarHBondContact O-N 3.29Å; S142-K289 WeakPolarHBondContact O-CD 3.32Å; S142-K289 WeakPolarHBondContact O-CE 3.37Å; S142-K289 PolarHBondContact O-NZ 2.97Å
143F86.1Confident77.9Confident23 Ų2381.4 Ų81.410%0.10141%0.412CS..THydrogen-bonded Turntrans-98.97.6177.5-61.5-89.3000113.6V17 E20 L21 V139 H140 N141 N285V17-F143 HydrophobicContact CG1-CB 3.95Å; V17-F143 HydrophobicContact CG1-CD1 4.38Å; V17-F143 HydrophobicContact CG1-CG 4.32Å; E20-F143 HydrophobicContact CB-CE1 3.45Å; E20-F143 VanDerWaalsContact CB-CE1 3.45Å; E20-F143 HydrophobicContact CB-CZ 3.59Å; E20-F143 HydrophobicContact CG-CE1 4.47Å; L21-F143 HydrophobicContact CD2-CB 4.47Å; L21-F143 HydrophobicContact CD2-CD2 3.31Å; L21-F143 HydrophobicContact CD2-CE2 3.76Å; L21-F143 HydrophobicContact CD2-CG 4.13Å; L21-F143 HydrophobicContact CG-CD2 3.75Å; L21-F143 HydrophobicContact CG-CE2 4.05Å; L21-F143 HydrophobicContact CG-CG 4.24Å; V139-F143 HydrophobicContact CG1-CE2 4.26Å; V139-F143 WeakPolarHBondContact O-CD2 3.42Å; H140-F143 PolarHBondContact O-N 3.31Å; N141-F143 PolarHBondContact O-N 3.1Å; F143-N285 WeakPolarHBondContact CD1-OD1 3.48Å; F143-N285 WeakPolarHBondContact CE1-ND2 3.38Å
144A81.1Confident75.3Confident25 Ų2589.2 Ų89.221%0.20744%0.443CS..SBendtrans-57.2143.2171.800000111C9 N141C9-A144 HydrophobicContact CB-CB 3.53Å; C9-A144 WeakPolarHBondContact SG-CB 3.49Å; N141-A144 WeakPolarHBondContact O-CB 3.35Å; N141-A144 PolarHBondContact O-N 3.2Å; N141-A144 VanDerWaalsContact O-N 3.13Å
145R74.7Confident72.8Confident156 Ų15688.8 Ų88.859%0.58945%0.453SS*.PPolyproline II helixtrans-62.8139.9162.8-74.6-175.3177.3-171.7-1.1109E12 Q147E12-R145 IonicContact OE1-NH2 2.76Å; E12-R145 PolarHBondContact OE1-NH2 3.19Å; E12-R145 IonicContact OE2-CZ 3.19Å; E12-R145 IonicContact OE2-NE 2.72Å; E12-R145 PolarHBondContact OE2-NE 2.98Å; E12-R145 IonicContact OE2-NH2 2.99Å; E12-R145 PolarHBondContact OE2-NH2 2.98Å; R145-Q147 PolarHBondContact O-N 3.06Å; R145-Q147 VanDerWaalsContact O-N 3.16Å
146Q71.8Confident70.2Confident82 Ų8289 Ų8938%0.38346%0.458SS..PPolyproline II helixtrans-66.9117.6173.7-175.5160.58.400109.9M148 K289 N291Q146-M148 PolarHBondContact O-N 2.93Å; Q146-K289 PolarHBondContact OE1-O 3.46Å; Q146-N291 VanDerWaalsContact CD-CB 3.49Å; Q146-N291 PolarHBondContact NE2-ND2 3.38Å
147Q67.1Low67.7Low156 Ų15694.3 Ų94.373%0.72950%0.501SS*.PPolyproline II helixtrans-73120.2172.4-65.9-176.2-1.600108.8R145 F149R145-Q147 PolarHBondContact O-N 3.06Å; R145-Q147 VanDerWaalsContact O-N 3.16Å; Q147-F149 VanDerWaalsContact C-N 3.32Å
148M60.3Low65.2Low78 Ų78101.2 Ų101.238%0.38453%0.532SS..SBendtrans-77.7-19.4-177.4-62.3-177-165.700112.9Q146 Y292Q146-M148 PolarHBondContact O-N 2.93Å; M148-Y292 HydrophobicContact CE-CD2 4.42Å
149F65.4Low63Low115 Ų115104.2 Ų104.250%0.50455%0.552SS.*SBendtrans-139.8147.9-177.5-54.3-75000109.8Q147 F151 L293Q147-F149 VanDerWaalsContact C-N 3.32Å; F149-F151 HydrophobicContact CB-CD2 4.08Å; F149-F151 HydrophobicContact CB-CE2 3.91Å; F149-F151 HydrophobicContact CD2-CE2 4.01Å; F149-F151 HydrophobicContact CD2-CZ 4.31Å; F149-F151 HydrophobicContact CG-CE2 4.42Å; F149-F151 PolarHBondContact O-N 3.22Å; F149-F151 VanDerWaalsContact O-N 3.11Å; F149-L293 HydrophobicContact CE1-CD1 4.3Å; F149-L293 HydrophobicContact CZ-CD1 4.17Å
150E53.3Low61.2Low198 Ų198110.3 Ų110.393%0.92558%0.579SS**  trans-72.495.3162.7-67.5177.4179.600107.2D152E150-D152 PolarHBondContact O-N 3.23Å
151F49Very low60.1Low161 Ų161113.1 Ų113.171%0.70659%0.594SS**  trans-77.3115.1170.8-81.7-84.7000108.4F149 A153F149-F151 HydrophobicContact CB-CD2 4.08Å; F149-F151 HydrophobicContact CB-CE2 3.91Å; F149-F151 HydrophobicContact CD2-CE2 4.01Å; F149-F151 HydrophobicContact CD2-CZ 4.31Å; F149-F151 HydrophobicContact CG-CE2 4.42Å; F149-F151 PolarHBondContact O-N 3.22Å; F149-F151 VanDerWaalsContact O-N 3.11Å; F151-A153 PolarHBondContact O-N 2.93Å; F151-A153 VanDerWaalsContact O-N 3.15Å
152D40.9Very low59.6Low134 Ų134113.6 Ų113.672%0.71760%0.604SS**  trans-58.2118.4164.3-127.9-14.6000107.1E150 K154E150-D152 PolarHBondContact O-N 3.23Å; D152-K154 PolarHBondContact O-N 3.22Å
153A45.9Very low59.6Low106 Ų106114.9 Ų114.988%0.87660%0.603SS**THydrogen-bonded Turntrans-62.914.9-170.200000115.2F151F151-A153 PolarHBondContact O-N 2.93Å; F151-A153 VanDerWaalsContact O-N 3.15Å
154K41.9Very low59.9Low187 Ų187114.1 Ų114.181%0.81360%0.6SS**THydrogen-bonded Turntrans-105.6-3-174.1-69.3-175.3178176.50114.9D152D152-K154 PolarHBondContact O-N 3.22Å
155S40.3Very low60.5Low106 Ų106113.5 Ų113.574%0.74159%0.593SS**SBendtrans-109.32.7-164.2-57.30000116.9
156S42.3Very low61.5Low79 Ų79106.1 Ų106.155%0.55257%0.565SS**  trans-13854.4175.659.70000113.3K158S156-K158 PolarHBondContact O-N 3.36Å
157A41.9Very low62.8Low110 Ų110102.2 Ų102.291%0.90955%0.547SS*.  trans-76.749.9158.200000111
158K42.8Very low64.3Low180 Ų18094.8 Ų94.878%0.78351%0.512SS*.SBendtrans-89.3149.7155.8-79.7-174.5173.8-178.30106.2S156 E160S156-K158 PolarHBondContact O-N 3.36Å; K158-E160 PolarHBondContact O-N 2.81Å
159D46.6Very low66.1Low172 Ų17291.1 Ų91.192%0.9249%0.494SS*.  trans-49.679.4172.1-77.5-44.9000111D161D159-D161 PolarHBondContact O-N 3.26Å
160E58.2Low67.5Low149 Ų14986.1 Ų86.170%0.69647%0.473SS*.  trans-74.6123.3168.4-83.4-167.9169.700106.3K158 A162K158-E160 PolarHBondContact O-N 2.81Å; E160-A162 PolarHBondContact O-N 3.47Å
161D70.9Confident69.6Low59 Ų5977.2 Ų77.232%0.31643%0.432SS..  trans-56.1110.5175-72.5-41.1000108.9K57 D159 F163 R217K57-D161 HydrophobicContact CD-CB 4.34Å; K57-D161 WeakPolarHBondContact CE-OD1 3.26Å; K57-D161 IonicContact NZ-OD1 3.68Å; K57-D161 PolarHBondContact NZ-OD1 2.84Å; K57-D161 IonicContact NZ-OD2 2.72Å; D159-D161 PolarHBondContact O-N 3.26Å; D161-F163 HydrophobicContact CB-CE2 3.79Å; D161-F163 HydrophobicContact CB-CZ 4.22Å; D161-F163 VanDerWaalsContact O-CD2 3.27Å; D161-F163 WeakPolarHBondContact O-CD2 3.32Å; D161-F163 PolarHBondContact O-N 3.18Å; D161-R217 IonicContact OD2-CZ 2.86Å; D161-R217 IonicContact OD2-NH1 3.48Å; D161-R217 PolarHBondContact OD2-NH1 3.43Å; D161-R217 IonicContact OD2-NH2 3.99Å; D161-R217 PolarHBondContact OD2-NH2 3.48Å
162A82.1Confident71.7Confident57 Ų5775.9 Ų75.947%0.47143%0.433SS..  trans-78.3120.6175.800000109W58 E160W58-A162 WeakPolarHBondContact CB-O 3.25Å; W58-A162 PolarHBondContact N-O 3.36Å; E160-A162 PolarHBondContact O-N 3.47Å
163F88.6Confident74.2Confident79 Ų7970.8 Ų70.835%0.34641%0.412SS..EExtended strand (participates in β ladder)trans-100.1145.5173.1-66.9-90.4000110.4L55 F56 K57 D161 R217L55-F163 HydrophobicContact CD1-CB 3.66Å; L55-F163 HydrophobicContact CG-CB 4.2Å; L55-F163 HydrophobicContact CG-CD1 4.47Å; F56-F163 CarbonylContact O-C 3.53Å; F56-F163 VanDerWaalsContact O-CA 3.32Å; F56-F163 WeakPolarHBondContact O-CA 3.34Å; K57-F163 HydrophobicContact CB-CD1 4.25Å; K57-F163 HydrophobicContact CB-CE1 3.99Å; D161-F163 HydrophobicContact CB-CE2 3.79Å; D161-F163 HydrophobicContact CB-CZ 4.22Å; D161-F163 VanDerWaalsContact O-CD2 3.27Å; D161-F163 WeakPolarHBondContact O-CD2 3.32Å; D161-F163 PolarHBondContact O-N 3.18Å; F163-R217 HydrophobicContact CE1-CB 3.77Å; F163-R217 WeakPolarHBondContact CE1-O 3.37Å; F163-R217 HydrophobicContact CZ-CB 4Å
164H92.1Very high76.6Confident7 Ų769.1 Ų69.13%0.03238%0.383CS..EExtended strand (participates in β ladder)trans-133.6140.5-175.9-175.251000112.2L55 F56 W58 D179L55-H164 WeakPolarHBondContact CA-O 2.91Å; L55-H164 WeakPolarHBondContact CD1-O 3.12Å; F56-H164 PolarHBondContact N-O 2.92Å; F56-H164 VanDerWaalsContact N-O 3.1Å; F56-H164 PolarHBondContact O-N 3.48Å; W58-H164 HydrophobicContact CB-CB 4.02Å; W58-H164 HydrophobicContact CG-CB 4.47Å; H164-D179 IonicContact CD2-OD1 3.64Å; H164-D179 IonicContact CE1-OD1 3.69Å; H164-D179 IonicContact NE2-OD1 2.72Å; H164-D179 PolarHBondContact NE2-OD1 3.39Å
165F94.6Very high79.3Confident12 Ų1260.3 Ų60.35%0.05335%0.345CS..EExtended strand (participates in β ladder)trans-99.2135.5177.3-72.3-81.1000110.7F18 I53 F54 L55 C88 A89 A92 M221F18-F165 HydrophobicContact CE2-CE1 4.28Å; F18-F165 AromaticContact CZ-CE1 3.85Å; F18-F165 HydrophobicContact CZ-CE1 3.85Å; F18-F165 AromaticContact CZ-CZ 3.82Å; F18-F165 HydrophobicContact CZ-CZ 3.82Å; I53-F165 HydrophobicContact CG2-CD1 3.51Å; I53-F165 HydrophobicContact CG2-CE1 4.12Å; I53-F165 HydrophobicContact CG2-CG 4.41Å; F54-F165 WeakPolarHBondContact O-CA 3.48Å; L55-F165 HydrophobicContact CB-CD1 3.83Å; L55-F165 HydrophobicContact CB-CE1 3.62Å; L55-F165 HydrophobicContact CB-CZ 4.24Å; L55-F165 HydrophobicContact CD1-CD1 3.84Å; L55-F165 HydrophobicContact CD1-CD2 3.74Å; L55-F165 HydrophobicContact CD1-CE1 3.76Å; L55-F165 HydrophobicContact CD1-CE2 3.62Å; L55-F165 HydrophobicContact CD1-CG 3.86Å; L55-F165 HydrophobicContact CD1-CZ 3.64Å; L55-F165 HydrophobicContact CD2-CE1 4.06Å; L55-F165 HydrophobicContact CD2-CE2 4.49Å; L55-F165 HydrophobicContact CD2-CZ 3.85Å; L55-F165 HydrophobicContact CG-CD1 4.37Å; L55-F165 HydrophobicContact CG-CE1 4.02Å; L55-F165 HydrophobicContact CG-CZ 4.12Å; C88-F165 HydrophobicContact CB-CB 4.46Å; C88-F165 HydrophobicContact CB-CD2 4.18Å; A89-F165 HydrophobicContact CB-CD2 3.91Å; A89-F165 HydrophobicContact CB-CE2 3.69Å; A89-F165 HydrophobicContact CB-CZ 4.19Å; A92-F165 HydrophobicContact CB-CB 3.85Å; F165-M221 HydrophobicContact CE1-CE 4.15Å
166V96.4Very high82.1Confident1 Ų155.6 Ų55.61%0.00631%0.31CS..EExtended strand (participates in β ladder)trans-126.7155.4166.7-58.40000109.8I53 F54 F56 Y168 D179I53-V166 WeakPolarHBondContact CA-O 3.49Å; F54-V166 HydrophobicContact CB-CG2 3.98Å; F54-V166 HydrophobicContact CD1-CG2 4.38Å; F54-V166 PolarHBondContact N-O 3.47Å; F54-V166 PolarHBondContact O-N 3.42Å; F56-V166 HydrophobicContact CD1-CG2 4.44Å; F56-V166 HydrophobicContact CE1-CB 4.28Å; F56-V166 HydrophobicContact CE1-CG1 3.61Å; F56-V166 HydrophobicContact CE1-CG2 3.73Å; F56-V166 HydrophobicContact CZ-CG1 3.92Å; V166-Y168 HydrophobicContact CG2-CE2 3.9Å; V166-D179 HydrophobicContact CB-CB 4.45Å; V166-D179 HydrophobicContact CG1-CB 3.7Å
167S98.3Very high84.7Confident0 Ų051.8 Ų51.80%028%0.284CS..EExtended strand (participates in β ladder)trans-115.7144.1177.2-58.10000111.5L52 A92 E177 L178L52-S167 CarbonylContact O-C 3.34Å; L52-S167 VanDerWaalsContact O-CA 3.25Å; L52-S167 WeakPolarHBondContact O-CA 3.5Å; A92-S167 VanDerWaalsContact C-OG 3.23Å; A92-S167 WeakPolarHBondContact CA-OG 3.39Å; A92-S167 WeakPolarHBondContact CB-OG 3.35Å; A92-S167 PolarHBondContact O-OG 3.12Å; S167-E177 CarbonylContact O-C 3.57Å; S167-E177 WeakPolarHBondContact O-CA 3.43Å; S167-L178 PolarHBondContact N-O 3.32Å; S167-L178 PolarHBondContact O-N 3.04Å
168Y98.4Very high87.4Confident0 Ų046.8 Ų46.80%024%0.242CC..EExtended strand (participates in β ladder)trans-115.8128.6170.1-57.1-85.7000109.7G51 L52 F54 V166 Y176 E177 L188 V200 V203 I204 R207G51-Y168 CarbonylContact C-O 3.6Å; G51-Y168 VanDerWaalsContact CA-O 3.27Å; G51-Y168 WeakPolarHBondContact CA-O 3.3Å; L52-Y168 HydrophobicContact CB-CD2 4.26Å; L52-Y168 PolarHBondContact N-O 2.89Å; L52-Y168 PolarHBondContact O-N 3.26Å; F54-Y168 HydrophobicContact CB-CD2 4.49Å; F54-Y168 HydrophobicContact CB-CE2 3.81Å; F54-Y168 HydrophobicContact CG-CE2 4.49Å; V166-Y168 HydrophobicContact CG2-CE2 3.9Å; Y168-Y176 VanDerWaalsContact CA-O 3.3Å; Y168-Y176 WeakPolarHBondContact CA-O 3.39Å; Y168-E177 HydrophobicContact CD1-CB 3.83Å; Y168-E177 HydrophobicContact CD1-CG 4.25Å; Y168-E177 HydrophobicContact CE1-CB 3.7Å; Y168-E177 HydrophobicContact CE1-CG 3.79Å; Y168-L188 HydrophobicContact CD1-CD1 3.74Å; Y168-L188 HydrophobicContact CE1-CD1 3.91Å; Y168-V200 HydrophobicContact CD1-CG2 3.86Å; Y168-V200 HydrophobicContact CD2-CG2 4.25Å; Y168-V200 HydrophobicContact CG-CG2 3.7Å; Y168-V203 HydrophobicContact CE1-CG1 4.13Å; Y168-I204 HydrophobicContact CD2-CD1 4.19Å; Y168-I204 HydrophobicContact CD2-CG1 4.35Å; Y168-I204 HydrophobicContact CE2-CD1 4.11Å; Y168-I204 HydrophobicContact CE2-CG1 3.84Å; Y168-R207 PolarHBondContact OH-NH1 3.38Å
169V97.6Very high90Very high2 Ų238.5 Ų38.51%0.01221%0.206CC..EExtended strand (participates in β ladder)trans-140.9139.6-178.4-69.80000112.7V96 N99 V171 Y176 L178V96-V169 HydrophobicContact CB-CG1 4.05Å; V96-V169 HydrophobicContact CG1-CG1 4.02Å; V96-V169 HydrophobicContact CG2-CG1 3.79Å; N99-V169 HydrophobicContact CB-CG2 4.24Å; V169-V171 HydrophobicContact CG2-CG2 4.08Å; V169-Y176 PolarHBondContact N-O 3.16Å; V169-Y176 PolarHBondContact O-N 3.12Å; V169-L178 HydrophobicContact CG2-CD1 3.6Å; V169-L178 HydrophobicContact CG2-CG 4.07Å
170P96.8Very high92.3Very high10 Ų1030.7 Ų30.77%0.06517%0.167CC..EExtended strand (participates in β ladder)trans-83.4123.216835.7-36.3000110.4R174 Q193 W196P170-R174 CarbonylContact C-O 3.6Å; P170-R174 WeakPolarHBondContact CA-O 3.25Å; P170-Q193 PolarHBondContact O-NE2 3.28Å; P170-W196 HydrophobicContact CB-CB 3.87Å; P170-W196 HydrophobicContact CB-CD2 4.18Å; P170-W196 HydrophobicContact CB-CG 3.78Å; P170-W196 HydrophobicContact CG-CB 4.31Å; P170-W196 HydrophobicContact CG-CD2 3.82Å; P170-W196 HydrophobicContact CG-CG 3.66Å; P170-W196 HydrophobicContact CG-CZ2 4.41Å
171V95.8Very high93.9Very high11 Ų1127.3 Ų27.37%0.06715%0.153CC..EExtended strand (participates in β ladder)trans-130.1121.6174.5-176.90000109.1I77 N99 V169 G173 R174 Y176I77-V171 HydrophobicContact CG1-CG1 4.3Å; N99-V171 HydrophobicContact CB-CG2 3.95Å; V169-V171 HydrophobicContact CG2-CG2 4.08Å; V171-G173 VanDerWaalsContact C-N 3.32Å; V171-G173 PolarHBondContact O-N 3.2Å; V171-R174 PolarHBondContact N-O 3.02Å; V171-R174 PolarHBondContact O-N 3.17Å; V171-R174 VanDerWaalsContact O-N 3.15Å; V171-Y176 HydrophobicContact CB-CD2 3.91Å; V171-Y176 HydrophobicContact CB-CE2 3.8Å; V171-Y176 HydrophobicContact CG2-CD2 4.21Å; V171-Y176 WeakPolarHBondContact O-CE2 3.29Å
172N93.6Very high95.1Very high133 Ų13326.8 Ų26.871%0.71115%0.146SC*.THydrogen-bonded Turntrans51.645.3178-60.3-22.7000113.4R174N172-R174 VanDerWaalsContact C-N 3.31Å; N172-R174 PolarHBondContact O-N 2.97Å
173G93.9Very high95.6Very high27 Ų2730.5 Ų30.528%0.27815%0.154SC..THydrogen-bonded Turntrans7417.3177.500000114.9V171 T190 C191 Q193V171-G173 VanDerWaalsContact C-N 3.32Å; V171-G173 PolarHBondContact O-N 3.2Å; G173-T190 WeakPolarHBondContact O-CA 3.32Å; G173-C191 CarbonylContact C-O 3.59Å; G173-C191 WeakPolarHBondContact CA-O 3.34Å; G173-C191 PolarHBondContact O-N 3.21Å; G173-Q193 VanDerWaalsContact N-OE1 3.16Å
174R96.4Very high96Very high71 Ų7127 Ų2727%0.26814%0.14SC..EExtended strand (participates in β ladder)trans-130.6147.2174.5-60.2-169.568.3854.5110.8P170 V171 N172 Y176 D187 G189P170-R174 CarbonylContact C-O 3.6Å; P170-R174 WeakPolarHBondContact CA-O 3.25Å; V171-R174 PolarHBondContact N-O 3.02Å; V171-R174 PolarHBondContact O-N 3.17Å; V171-R174 VanDerWaalsContact O-N 3.15Å; N172-R174 VanDerWaalsContact C-N 3.31Å; N172-R174 PolarHBondContact O-N 2.97Å; R174-Y176 HydrophobicContact CB-CE2 3.68Å; R174-D187 IonicContact CZ-OD1 3.42Å; R174-D187 IonicContact CZ-OD2 2.7Å; R174-D187 VanDerWaalsContact CZ-OD2 3.23Å; R174-D187 IonicContact NE-OD1 2.88Å; R174-D187 PolarHBondContact NE-OD1 3.47Å; R174-D187 IonicContact NE-OD2 3.8Å; R174-D187 PolarHBondContact NE-OD2 3.12Å; R174-D187 VanDerWaalsContact NE-OD2 3.12Å; R174-D187 IonicContact NH2-OD1 3.24Å; R174-D187 PolarHBondContact NH2-OD1 3.4Å; R174-D187 IonicContact NH2-OD2 2.78Å; R174-D187 PolarHBondContact NH2-OD2 3.47Å; R174-G189 CarbonylContact C-O 3.56Å; R174-G189 WeakPolarHBondContact CA-O 3.49Å
175L97.9Very high96.3Very high2 Ų226.6 Ų26.61%0.0114%0.138CC..EExtended strand (participates in β ladder)trans-94.9132.2179.2-178.863.3000109.9L188 G189 C191 W196 A199 V200L175-L188 HydrophobicContact CB-CB 4.18Å; L175-L188 HydrophobicContact CD2-CB 4.07Å; L175-L188 HydrophobicContact CD2-CD1 3.97Å; L175-L188 HydrophobicContact CG-CB 4.04Å; L175-L188 HydrophobicContact CG-CD1 3.94Å; L175-L188 WeakPolarHBondContact O-CB 3.17Å; L175-L188 PolarHBondContact O-N 3.03Å; L175-G189 PolarHBondContact N-O 3.15Å; L175-C191 HydrophobicContact CB-CB 4.26Å; L175-W196 HydrophobicContact CD1-CE3 3.57Å; L175-W196 HydrophobicContact CD1-CZ3 3.83Å; L175-A199 HydrophobicContact CD2-CB 4.17Å; L175-V200 HydrophobicContact CD1-CB 4.33Å; L175-V200 HydrophobicContact CD1-CG2 4.42Å; L175-V200 HydrophobicContact CD2-CB 3.64Å; L175-V200 HydrophobicContact CD2-CG2 3.97Å
176Y98.3Very high96.5Very high6 Ų626 Ų262%0.02414%0.136CC..EExtended strand (participates in β ladder)trans-123.4140.1177.6-60.6-82.2000111.5V69 I77 Y168 V169 V171 R174 P185 I186 D187V69-Y176 HydrophobicContact CG2-CD1 4.1Å; V69-Y176 HydrophobicContact CG2-CE1 3.77Å; I77-Y176 HydrophobicContact CD1-CD1 3.94Å; I77-Y176 HydrophobicContact CD1-CD2 4.14Å; I77-Y176 HydrophobicContact CD1-CE1 3.62Å; I77-Y176 HydrophobicContact CD1-CE2 3.83Å; I77-Y176 HydrophobicContact CD1-CG 4.18Å; Y168-Y176 VanDerWaalsContact CA-O 3.3Å; Y168-Y176 WeakPolarHBondContact CA-O 3.39Å; V169-Y176 PolarHBondContact N-O 3.16Å; V169-Y176 PolarHBondContact O-N 3.12Å; V171-Y176 HydrophobicContact CB-CD2 3.91Å; V171-Y176 HydrophobicContact CB-CE2 3.8Å; V171-Y176 HydrophobicContact CG2-CD2 4.21Å; V171-Y176 WeakPolarHBondContact O-CE2 3.29Å; R174-Y176 HydrophobicContact CB-CE2 3.68Å; Y176-P185 HydrophobicContact CD1-CB 4.3Å; Y176-I186 CarbonylContact C-O 3.5Å; Y176-I186 VanDerWaalsContact CA-O 3.28Å; Y176-I186 WeakPolarHBondContact CA-O 3.26Å; Y176-D187 HydrophobicContact CD1-CB 4.31Å; Y176-D187 HydrophobicContact CE1-CB 4.07Å
177E98.4Very high96.5Very high0 Ų026.6 Ų26.60%014%0.138CC..EExtended strand (participates in β ladder)trans-95.6128160.7173.5-174.617200109S167 Y168 I186 L188 R207S167-E177 CarbonylContact O-C 3.57Å; S167-E177 WeakPolarHBondContact O-CA 3.43Å; Y168-E177 HydrophobicContact CD1-CB 3.83Å; Y168-E177 HydrophobicContact CD1-CG 4.25Å; Y168-E177 HydrophobicContact CE1-CB 3.7Å; Y168-E177 HydrophobicContact CE1-CG 3.79Å; E177-I186 HydrophobicContact CB-CB 4.13Å; E177-I186 HydrophobicContact CG-CD1 4.36Å; E177-I186 PolarHBondContact N-O 2.79Å; E177-I186 PolarHBondContact O-N 2.79Å; E177-L188 HydrophobicContact CB-CD1 3.85Å; E177-L188 HydrophobicContact CB-CG 4.29Å; E177-R207 IonicContact OE1-CZ 3.74Å; E177-R207 IonicContact OE1-NH1 3.45Å; E177-R207 PolarHBondContact OE1-NH1 3.46Å; E177-R207 IonicContact OE1-NH2 3.39Å; E177-R207 PolarHBondContact OE1-NH2 3.34Å; E177-R207 IonicContact OE2-CZ 3.62Å; E177-R207 IonicContact OE2-NH1 2.76Å; E177-R207 IonicContact OE2-NH2 3.61Å; E177-R207 PolarHBondContact OE2-NH2 3.47Å
178L98.1Very high96.5Very high4 Ų428.3 Ų28.32%0.02115%0.147CC..EExtended strand (participates in β ladder)trans-112.996.9178.7-52.9-178.8000108.2I77 F79 N99 S167 V169 P185I77-L178 HydrophobicContact CG2-CD2 4.1Å; F79-L178 HydrophobicContact CD2-CD2 4.13Å; N99-L178 VanDerWaalsContact ND2-CD1 3.34Å; N99-L178 WeakPolarHBondContact ND2-CD1 3.46Å; S167-L178 PolarHBondContact N-O 3.32Å; S167-L178 PolarHBondContact O-N 3.04Å; V169-L178 HydrophobicContact CG2-CD1 3.6Å; V169-L178 HydrophobicContact CG2-CG 4.07Å; L178-P185 HydrophobicContact CD2-CB 3.74Å; L178-P185 HydrophobicContact CD2-CG 4.07Å
179D96.4Very high96.4Very high6 Ų629.4 Ų29.43%0.03216%0.159CC..  trans-108.9114.8176.2174.8-2000109F79 H164 V166 L181 R182F79-D179 WeakPolarHBondContact CE2-O 3.47Å; F79-D179 WeakPolarHBondContact CZ-O 3.46Å; H164-D179 IonicContact CD2-OD1 3.64Å; H164-D179 IonicContact CE1-OD1 3.69Å; H164-D179 IonicContact NE2-OD1 2.72Å; H164-D179 PolarHBondContact NE2-OD1 3.39Å; V166-D179 HydrophobicContact CB-CB 4.45Å; V166-D179 HydrophobicContact CG1-CB 3.7Å; D179-L181 PolarHBondContact O-N 2.91Å; D179-L181 VanDerWaalsContact O-N 3.11Å; D179-L181 WeakPolarHBondContact OD1-CB 3.34Å; D179-L181 PolarHBondContact OD1-N 3.06Å; D179-R182 HydrophobicContact CB-CB 4.38Å; D179-R182 HydrophobicContact CB-CG 3.61Å; D179-R182 WeakPolarHBondContact O-CB 3.31Å; D179-R182 PolarHBondContact O-N 2.97Å; D179-R182 WeakPolarHBondContact OD2-CG 3.43Å; D179-R182 IonicContact OD2-NE 3.37Å; D179-R182 PolarHBondContact OD2-NE 2.8Å
180G94.9Very high96.3Very high9 Ų934.5 Ų34.59%0.09319%0.19CC..THydrogen-bonded Turntrans-62.4-16.8-17800000114.6K81 Q82K81-G180 CarbonylContact C-O 3.52Å; K81-G180 WeakPolarHBondContact CA-O 3.45Å; Q82-G180 PolarHBondContact N-O 2.93Å
181L93.4Very high96.2Very high78 Ų7834.8 Ų34.841%0.40819%0.192SC..THydrogen-bonded Turntrans-87.9-5176.4-59.8178.9000113Q82 D179Q82-L181 HydrophobicContact CB-CD2 4.22Å; D179-L181 PolarHBondContact O-N 2.91Å; D179-L181 VanDerWaalsContact O-N 3.11Å; D179-L181 WeakPolarHBondContact OD1-CB 3.34Å; D179-L181 PolarHBondContact OD1-N 3.06Å
182R95.1Very high96Very high47 Ų4738.9 Ų38.918%0.17721%0.214CC..SBendtrans-91.2168.4177.6-59.1-67.2-177.5165.15.1111.8E62 K81 D179 G184 I186E62-R182 VanDerWaalsContact O-CZ 3.25Å; E62-R182 PolarHBondContact O-NH1 3.15Å; E62-R182 PolarHBondContact O-NH2 2.96Å; K81-R182 WeakPolarHBondContact CE-O 3.44Å; D179-R182 HydrophobicContact CB-CB 4.38Å; D179-R182 HydrophobicContact CB-CG 3.61Å; D179-R182 WeakPolarHBondContact O-CB 3.31Å; D179-R182 PolarHBondContact O-N 2.97Å; D179-R182 WeakPolarHBondContact OD2-CG 3.43Å; D179-R182 IonicContact OD2-NE 3.37Å; D179-R182 PolarHBondContact OD2-NE 2.8Å; R182-G184 VanDerWaalsContact C-N 3.33Å; R182-I186 HydrophobicContact CG-CD1 4.06Å
183E93.8Very high95.5Very high136 Ų13636.5 Ų36.564%0.63620%0.198SC*.SBendtrans-75.6-20.6177.2-66.1-54.2132.200113.5K81K81-E183 IonicContact NZ-OE1 2.75Å; K81-E183 PolarHBondContact NZ-OE1 3.46Å; K81-E183 IonicContact NZ-OE2 2.7Å; K81-E183 PolarHBondContact NZ-OE2 2.88Å
184G96.5Very high94.8Very high4 Ų441.6 Ų41.64%0.04122%0.219CC..SBendtrans-170176.8-178.200000112.4R182R182-G184 VanDerWaalsContact C-N 3.33Å
185P98Very high94.4Very high0 Ų041 Ų410%022%0.221CC..PPolyproline II helixtrans-54.8142.4169.4-22.433.5000111.4I68 V69 L74 I77 F79 Y176 L178I68-P185 WeakPolarHBondContact CA-O 3.44Å; V69-P185 HydrophobicContact CB-CB 4.28Å; V69-P185 HydrophobicContact CG2-CB 4.07Å; V69-P185 WeakPolarHBondContact CG2-O 3.37Å; V69-P185 PolarHBondContact N-O 2.87Å; L74-P185 HydrophobicContact CD2-CG 4.05Å; I77-P185 HydrophobicContact CB-CG 4.48Å; I77-P185 HydrophobicContact CG2-CB 4.38Å; I77-P185 HydrophobicContact CG2-CG 3.84Å; F79-P185 HydrophobicContact CB-CG 3.72Å; F79-P185 HydrophobicContact CD2-CG 4Å; F79-P185 HydrophobicContact CG-CG 3.86Å; Y176-P185 HydrophobicContact CD1-CB 4.3Å; L178-P185 HydrophobicContact CD2-CB 3.74Å; L178-P185 HydrophobicContact CD2-CG 4.07Å
186I98.1Very high94.3Very high0 Ų041.2 Ų41.20%022%0.222CC..EExtended strand (participates in β ladder)trans-100.9120.4173.2-61.3164.9000107.8P64 Y176 E177 R182 L188P64-I186 HydrophobicContact CB-CD1 3.87Å; P64-I186 HydrophobicContact CB-CG1 4.24Å; P64-I186 HydrophobicContact CB-CG2 4.42Å; Y176-I186 CarbonylContact C-O 3.5Å; Y176-I186 VanDerWaalsContact CA-O 3.28Å; Y176-I186 WeakPolarHBondContact CA-O 3.26Å; E177-I186 HydrophobicContact CB-CB 4.13Å; E177-I186 HydrophobicContact CG-CD1 4.36Å; E177-I186 PolarHBondContact N-O 2.79Å; E177-I186 PolarHBondContact O-N 2.79Å; R182-I186 HydrophobicContact CG-CD1 4.06Å; I186-L188 HydrophobicContact CG2-CD2 3.99Å
187D98.1Very high94.1Very high12 Ų1241.2 Ų41.26%0.06422%0.222CC..EExtended strand (participates in β ladder)trans-79.4120.7174.6-177.2-0.8000110.1S67 V69 R73 R174 Y176 G189S67-D187 PolarHBondContact N-O 2.96Å; S67-D187 PolarHBondContact O-N 3.15Å; V69-D187 HydrophobicContact CG2-CB 3.92Å; R73-D187 IonicContact CZ-OD2 2.78Å; R73-D187 IonicContact NH1-OD2 3.27Å; R73-D187 PolarHBondContact NH1-OD2 3.24Å; R73-D187 IonicContact NH2-OD2 2.95Å; R174-D187 IonicContact CZ-OD1 3.42Å; R174-D187 IonicContact CZ-OD2 2.7Å; R174-D187 VanDerWaalsContact CZ-OD2 3.23Å; R174-D187 IonicContact NE-OD1 2.88Å; R174-D187 PolarHBondContact NE-OD1 3.47Å; R174-D187 IonicContact NE-OD2 3.8Å; R174-D187 PolarHBondContact NE-OD2 3.12Å; R174-D187 VanDerWaalsContact NE-OD2 3.12Å; R174-D187 IonicContact NH2-OD1 3.24Å; R174-D187 PolarHBondContact NH2-OD1 3.4Å; R174-D187 IonicContact NH2-OD2 2.78Å; R174-D187 PolarHBondContact NH2-OD2 3.47Å; Y176-D187 HydrophobicContact CD1-CB 4.31Å; Y176-D187 HydrophobicContact CE1-CB 4.07Å; D187-G189 PolarHBondContact OD1-N 2.94Å
188L97.3Very high93.9Very high36 Ų3644.5 Ų44.519%0.18825%0.245CC..EExtended strand (participates in β ladder)trans-1022.7-178.7-60.6176.6000112.9A65 Y168 L175 E177 I186 V203A65-L188 HydrophobicContact CB-CD2 3.81Å; Y168-L188 HydrophobicContact CD1-CD1 3.74Å; Y168-L188 HydrophobicContact CE1-CD1 3.91Å; L175-L188 HydrophobicContact CB-CB 4.18Å; L175-L188 HydrophobicContact CD2-CB 4.07Å; L175-L188 HydrophobicContact CD2-CD1 3.97Å; L175-L188 HydrophobicContact CG-CB 4.04Å; L175-L188 HydrophobicContact CG-CD1 3.94Å; L175-L188 WeakPolarHBondContact O-CB 3.17Å; L175-L188 PolarHBondContact O-N 3.03Å; E177-L188 HydrophobicContact CB-CD1 3.85Å; E177-L188 HydrophobicContact CB-CG 4.29Å; I186-L188 HydrophobicContact CG2-CD2 3.99Å; L188-V203 HydrophobicContact CD1-CG1 3.97Å; L188-V203 HydrophobicContact CD1-CG2 4.35Å; L188-V203 HydrophobicContact CD2-CG1 4.19Å
189G96.2Very high93.7Very high23 Ų2345.8 Ų45.824%0.23726%0.256CS..EExtended strand (participates in β ladder)trans112.2-175.8177.900000114R174 L175 D187R174-G189 CarbonylContact C-O 3.56Å; R174-G189 WeakPolarHBondContact CA-O 3.49Å; L175-G189 PolarHBondContact N-O 3.15Å; D187-G189 PolarHBondContact OD1-N 2.94Å
190T96Very high93.7Very high109 Ų10945.5 Ų45.567%0.66926%0.255SS*.EExtended strand (participates in β ladder)trans-76.8141.1177.251.50000111.1G173G173-T190 WeakPolarHBondContact O-CA 3.32Å
191C94.4Very high93.7Very high16 Ų1647.5 Ų47.511%0.10826%0.26CS..  trans-139.5154.717465.80000110.8G173 L175 Q193 W196 A199G173-C191 CarbonylContact C-O 3.59Å; G173-C191 WeakPolarHBondContact CA-O 3.34Å; G173-C191 PolarHBondContact O-N 3.21Å; L175-C191 HydrophobicContact CB-CB 4.26Å; C191-Q193 PolarHBondContact O-N 2.92Å; C191-W196 HydrophobicContact CB-CB 3.99Å; C191-A199 HydrophobicContact CB-CB 3.86Å
192N91.3Very high93.7Very high97 Ų9747.2 Ų47.252%0.51926%0.262SS..  trans-70.7128.1165.3-175-6.8000108.2D194 D195 W196N192-D194 PolarHBondContact O-N 3.15Å; N192-D194 PolarHBondContact OD1-N 2.9Å; N192-D194 VanDerWaalsContact OD1-N 3.12Å; N192-D195 HydrophobicContact CB-CB 4.4Å; N192-D195 CarbonylContact O-C 3.55Å; N192-D195 VanDerWaalsContact O-C 3.27Å; N192-D195 PolarHBondContact O-N 2.88Å; N192-W196 VanDerWaalsContact O-CA 3.25Å; N192-W196 WeakPolarHBondContact O-CA 3.5Å; N192-W196 VanDerWaalsContact O-CB 3.29Å; N192-W196 WeakPolarHBondContact O-CB 3.4Å; N192-W196 PolarHBondContact O-N 3.01Å
193Q82.3Confident93.7Very high83 Ų8346.3 Ų46.339%0.38826%0.262SS..SBendtrans-60.2-32.7179.6-165.4723000111.7P170 G173 C191P170-Q193 PolarHBondContact O-NE2 3.28Å; G173-Q193 VanDerWaalsContact N-OE1 3.16Å; C191-Q193 PolarHBondContact O-N 2.92Å
194D80.6Confident93.7Very high135 Ų13539.9 Ų39.972%0.72223%0.232SC*.SBendtrans-84.9-20.3-178.9-59.8-34000113.2N192N192-D194 PolarHBondContact O-N 3.15Å; N192-D194 PolarHBondContact OD1-N 2.9Å; N192-D194 VanDerWaalsContact OD1-N 3.12Å
195D87.6Confident93.5Very high57 Ų5742.9 Ų42.931%0.30525%0.245SC..SBendtrans-138.551.1-179.4-167.754.6000112K47 N192 I197 S198K47-D195 IonicContact NZ-OD1 2.88Å; K47-D195 PolarHBondContact NZ-OD1 3.4Å; N192-D195 HydrophobicContact CB-CB 4.4Å; N192-D195 CarbonylContact O-C 3.55Å; N192-D195 VanDerWaalsContact O-C 3.27Å; N192-D195 PolarHBondContact O-N 2.88Å; D195-I197 PolarHBondContact O-N 2.96Å; D195-S198 PolarHBondContact O-OG 2.7Å; D195-S198 PolarHBondContact OD2-OG 3.01Å
196W94.9Very high93.1Very high7 Ų749.5 Ų49.53%0.02727%0.274CS..THydrogen-bonded Turntrans-76.1-13-178.865.9-86.1000112.9V49 L52 P170 L175 C191 N192 S198 A199 V200V49-W196 HydrophobicContact CB-CZ2 4.37Å; V49-W196 HydrophobicContact CG1-CZ2 3.89Å; V49-W196 PolarHBondContact O-NE1 2.87Å; L52-W196 HydrophobicContact CB-CH2 4.3Å; L52-W196 HydrophobicContact CD1-CH2 4.24Å; L52-W196 HydrophobicContact CD1-CZ3 4.31Å; L52-W196 HydrophobicContact CG-CH2 3.71Å; L52-W196 HydrophobicContact CG-CZ3 4.25Å; P170-W196 HydrophobicContact CB-CB 3.87Å; P170-W196 HydrophobicContact CB-CD2 4.18Å; P170-W196 HydrophobicContact CB-CG 3.78Å; P170-W196 HydrophobicContact CG-CB 4.31Å; P170-W196 HydrophobicContact CG-CD2 3.82Å; P170-W196 HydrophobicContact CG-CG 3.66Å; P170-W196 HydrophobicContact CG-CZ2 4.41Å; L175-W196 HydrophobicContact CD1-CE3 3.57Å; L175-W196 HydrophobicContact CD1-CZ3 3.83Å; C191-W196 HydrophobicContact CB-CB 3.99Å; N192-W196 VanDerWaalsContact O-CA 3.25Å; N192-W196 WeakPolarHBondContact O-CA 3.5Å; N192-W196 VanDerWaalsContact O-CB 3.29Å; N192-W196 WeakPolarHBondContact O-CB 3.4Å; N192-W196 PolarHBondContact O-N 3.01Å; W196-S198 VanDerWaalsContact C-N 3.3Å; W196-S198 PolarHBondContact O-N 3.21Å; W196-A199 WeakPolarHBondContact O-CB 3.43Å; W196-A199 PolarHBondContact O-N 2.78Å; W196-A199 VanDerWaalsContact O-N 3.1Å; W196-V200 HydrophobicContact CE3-CB 4.04Å; W196-V200 HydrophobicContact CE3-CG1 3.95Å; W196-V200 HydrophobicContact CZ3-CB 3.95Å; W196-V200 HydrophobicContact CZ3-CG1 3.77Å; W196-V200 HydrophobicContact CZ3-CG2 4.18Å; W196-V200 PolarHBondContact O-N 2.73Å; W196-V200 VanDerWaalsContact O-N 3.16Å
197I94.9Very high92.8Very high7 Ų749.8 Ų49.84%0.03628%0.275CS..Hα-helixtrans-62-39.4179.1-58.4-58000111.1F43 V49 D195 A199 V200 R201F43-I197 HydrophobicContact CB-CG1 4.48Å; F43-I197 HydrophobicContact CB-CG2 3.83Å; F43-I197 HydrophobicContact CD1-CD1 4.15Å; F43-I197 HydrophobicContact CD1-CG1 4.39Å; F43-I197 HydrophobicContact CD1-CG2 3.69Å; F43-I197 HydrophobicContact CD2-CG2 3.88Å; F43-I197 HydrophobicContact CE1-CG2 4.16Å; F43-I197 HydrophobicContact CE2-CG2 4.33Å; F43-I197 HydrophobicContact CG-CG2 3.53Å; F43-I197 HydrophobicContact CZ-CG2 4.45Å; V49-I197 HydrophobicContact CB-CD1 4.08Å; V49-I197 HydrophobicContact CG1-CD1 4.04Å; V49-I197 HydrophobicContact CG2-CD1 4.36Å; D195-I197 PolarHBondContact O-N 2.96Å; I197-A199 PolarHBondContact O-N 3.24Å; I197-V200 HydrophobicContact CD1-CG1 4.45Å; I197-V200 WeakPolarHBondContact O-CG1 3.29Å; I197-V200 PolarHBondContact O-N 2.88Å; I197-R201 HydrophobicContact CG2-CG 3.99Å; I197-R201 VanDerWaalsContact O-CG 3.23Å; I197-R201 WeakPolarHBondContact O-CG 3.49Å; I197-R201 PolarHBondContact O-N 2.98Å
198S93.3Very high92.3Very high69 Ų6951.2 Ų51.248%0.48328%0.282SS..Hα-helixtrans-59.3-30.3176.358.50000112.6D195 W196 P202D195-S198 PolarHBondContact O-OG 2.7Å; D195-S198 PolarHBondContact OD2-OG 3.01Å; W196-S198 VanDerWaalsContact C-N 3.3Å; W196-S198 PolarHBondContact O-N 3.21Å; S198-P202 WeakPolarHBondContact O-CD 3.38Å
199A95.2Very high91.8Very high30 Ų3056.6 Ų56.625%0.24831%0.306CS..Hα-helixtrans-80.7-36.4176.600000113.4L175 C191 W196 I197 P202L175-A199 HydrophobicContact CD2-CB 4.17Å; C191-A199 HydrophobicContact CB-CB 3.86Å; W196-A199 WeakPolarHBondContact O-CB 3.43Å; W196-A199 PolarHBondContact O-N 2.78Å; W196-A199 VanDerWaalsContact O-N 3.1Å; I197-A199 PolarHBondContact O-N 3.24Å; A199-P202 WeakPolarHBondContact O-CD 3.42Å; A199-P202 WeakPolarHBondContact O-CG 3.41Å
200V95.8Very high91.3Very high0 Ų060.1 Ų60.10%032%0.315CS..Hα-helixtrans-81.1-30.5-176.577.20000113.5L52 Y168 L175 W196 I197 V203 I204L52-V200 HydrophobicContact CD1-CG1 3.6Å; L52-V200 HydrophobicContact CD1-CG2 4.32Å; Y168-V200 HydrophobicContact CD1-CG2 3.86Å; Y168-V200 HydrophobicContact CD2-CG2 4.25Å; Y168-V200 HydrophobicContact CG-CG2 3.7Å; L175-V200 HydrophobicContact CD1-CB 4.33Å; L175-V200 HydrophobicContact CD1-CG2 4.42Å; L175-V200 HydrophobicContact CD2-CB 3.64Å; L175-V200 HydrophobicContact CD2-CG2 3.97Å; W196-V200 HydrophobicContact CE3-CB 4.04Å; W196-V200 HydrophobicContact CE3-CG1 3.95Å; W196-V200 HydrophobicContact CZ3-CB 3.95Å; W196-V200 HydrophobicContact CZ3-CG1 3.77Å; W196-V200 HydrophobicContact CZ3-CG2 4.18Å; W196-V200 PolarHBondContact O-N 2.73Å; W196-V200 VanDerWaalsContact O-N 3.16Å; I197-V200 HydrophobicContact CD1-CG1 4.45Å; I197-V200 WeakPolarHBondContact O-CG1 3.29Å; I197-V200 PolarHBondContact O-N 2.88Å; V200-V203 WeakPolarHBondContact O-CA 3.35Å; V200-V203 WeakPolarHBondContact O-CB 3.25Å; V200-V203 PolarHBondContact O-N 3.07Å; V200-I204 HydrophobicContact CG1-CD1 4.45Å; V200-I204 HydrophobicContact CG2-CD1 3.89Å; V200-I204 HydrophobicContact CG2-CG1 4.16Å; V200-I204 PolarHBondContact O-N 3.2Å
201R94.4Very high90.7Very high52 Ų5256 Ų5620%0.19629%0.287CS..Hα-helixtrans-49.4-54.7-180-77.2173.567.5-157.90.6113.8M38 P40 F43 I197 V203 I204 E205M38-R201 HydrophobicContact CE-CB 4.1Å; M38-R201 HydrophobicContact CE-CG 3.96Å; M38-R201 PolarHBondContact O-NE 3.5Å; M38-R201 PolarHBondContact O-NH2 3.27Å; P40-R201 VanDerWaalsContact CG-NH1 3.35Å; F43-R201 HydrophobicContact CE2-CG 4.41Å; I197-R201 HydrophobicContact CG2-CG 3.99Å; I197-R201 VanDerWaalsContact O-CG 3.23Å; I197-R201 WeakPolarHBondContact O-CG 3.49Å; I197-R201 PolarHBondContact O-N 2.98Å; R201-V203 PolarHBondContact O-N 3.36Å; R201-I204 PolarHBondContact O-N 2.95Å; R201-E205 WeakPolarHBondContact O-CG 3.19Å; R201-E205 PolarHBondContact O-N 3.47Å
202P93.9Very high89.6Confident71 Ų7159.5 Ų59.546%0.46131%0.312SS..Hα-helixtrans-64.1-26.6179.525.2-35.5000113.1S198 A199 K206S198-P202 WeakPolarHBondContact O-CD 3.38Å; A199-P202 WeakPolarHBondContact O-CD 3.42Å; A199-P202 WeakPolarHBondContact O-CG 3.41Å; P202-K206 WeakPolarHBondContact O-CB 3.27Å; P202-K206 PolarHBondContact O-N 2.98Å
203V94.5Very high88.6Confident29 Ų2965 Ų6518%0.17633%0.334CS..Hα-helixtrans-68.6-47.1176.5-178.60000110.5A65 Y168 L188 V200 R201 R207A65-V203 HydrophobicContact CB-CG1 4.28Å; Y168-V203 HydrophobicContact CE1-CG1 4.13Å; L188-V203 HydrophobicContact CD1-CG1 3.97Å; L188-V203 HydrophobicContact CD1-CG2 4.35Å; L188-V203 HydrophobicContact CD2-CG1 4.19Å; V200-V203 WeakPolarHBondContact O-CA 3.35Å; V200-V203 WeakPolarHBondContact O-CB 3.25Å; V200-V203 PolarHBondContact O-N 3.07Å; R201-V203 PolarHBondContact O-N 3.36Å; V203-R207 PolarHBondContact O-N 3.47Å; V203-R207 VanDerWaalsContact O-N 3.07Å
204I93.8Very high88.1Confident0 Ų064.1 Ų64.10%035%0.348CS..Hα-helixtrans-67.2-45.4178.4-66.4171.1000110.6M38 L52 F54 Y168 V200 R201 K206 R207 I208 L220M38-I204 HydrophobicContact CE-CB 3.74Å; M38-I204 HydrophobicContact CE-CD1 4.25Å; M38-I204 HydrophobicContact CE-CG2 3.77Å; M38-I204 HydrophobicContact SD-CG2 4.12Å; L52-I204 HydrophobicContact CD1-CD1 3.64Å; F54-I204 HydrophobicContact CD2-CG2 4.41Å; F54-I204 HydrophobicContact CE2-CG2 4.19Å; F54-I204 HydrophobicContact CZ-CG2 4.44Å; Y168-I204 HydrophobicContact CD2-CD1 4.19Å; Y168-I204 HydrophobicContact CD2-CG1 4.35Å; Y168-I204 HydrophobicContact CE2-CD1 4.11Å; Y168-I204 HydrophobicContact CE2-CG1 3.84Å; V200-I204 HydrophobicContact CG1-CD1 4.45Å; V200-I204 HydrophobicContact CG2-CD1 3.89Å; V200-I204 HydrophobicContact CG2-CG1 4.16Å; V200-I204 PolarHBondContact O-N 3.2Å; R201-I204 PolarHBondContact O-N 2.95Å; I204-K206 VanDerWaalsContact C-N 3.34Å; I204-K206 PolarHBondContact O-N 3.42Å; I204-R207 WeakPolarHBondContact O-CB 3.3Å; I204-R207 PolarHBondContact O-N 3.33Å; I204-R207 VanDerWaalsContact O-N 3.08Å; I204-I208 HydrophobicContact CG2-CD1 3.87Å; I204-I208 HydrophobicContact CG2-CG1 4.41Å; I204-I208 WeakPolarHBondContact O-CG1 3.28Å; I204-I208 PolarHBondContact O-N 2.81Å; I204-L220 HydrophobicContact CD1-CD1 3.97Å; I204-L220 HydrophobicContact CD1-CD2 4.26Å
205E92.4Very high88.1Confident67 Ų6759.1 Ų59.131%0.31332%0.32SS..Hα-helixtrans-58.7-45.4177.2-73.3171.5-179.500111.7M38 R201 R207 I208 Q209M38-E205 HydrophobicContact CB-CG 4.46Å; M38-E205 HydrophobicContact CE-CG 4.29Å; M38-E205 HydrophobicContact CG-CG 4.38Å; R201-E205 WeakPolarHBondContact O-CG 3.19Å; R201-E205 PolarHBondContact O-N 3.47Å; E205-R207 VanDerWaalsContact C-N 3.27Å; E205-R207 PolarHBondContact O-N 2.88Å; E205-I208 PolarHBondContact O-N 3.01Å; E205-Q209 VanDerWaalsContact O-CG 3.28Å; E205-Q209 WeakPolarHBondContact O-CG 3.48Å; E205-Q209 PolarHBondContact O-N 3.14Å
206K91.3Very high87.8Confident140 Ų14062.7 Ų62.761%0.60934%0.338SS*.Hα-helixtrans-61.7-36.2175.8-172.6-179.7-177.5-1770111.9P202 I204 K210P202-K206 WeakPolarHBondContact O-CB 3.27Å; P202-K206 PolarHBondContact O-N 2.98Å; I204-K206 VanDerWaalsContact C-N 3.34Å; I204-K206 PolarHBondContact O-N 3.42Å; K206-K210 PolarHBondContact O-N 3.06Å
207R89.8Confident87.4Confident6 Ų667.5 Ų67.52%0.02336%0.356CS..Hα-helixtrans-68-44175-179.1165.2-76.6169.814.6111.4F54 E62 Y168 E177 V203 I204 E205 Q209 K210 Y211F54-R207 HydrophobicContact CE1-CG 4Å; E62-R207 IonicContact OE1-CZ 3.76Å; E62-R207 IonicContact OE1-NE 2.69Å; E62-R207 PolarHBondContact OE1-NE 3.01Å; E62-R207 IonicContact OE1-NH2 3.2Å; Y168-R207 PolarHBondContact OH-NH1 3.38Å; E177-R207 IonicContact OE1-CZ 3.74Å; E177-R207 IonicContact OE1-NH1 3.45Å; E177-R207 PolarHBondContact OE1-NH1 3.46Å; E177-R207 IonicContact OE1-NH2 3.39Å; E177-R207 PolarHBondContact OE1-NH2 3.34Å; E177-R207 IonicContact OE2-CZ 3.62Å; E177-R207 IonicContact OE2-NH1 2.76Å; E177-R207 IonicContact OE2-NH2 3.61Å; E177-R207 PolarHBondContact OE2-NH2 3.47Å; V203-R207 PolarHBondContact O-N 3.47Å; V203-R207 VanDerWaalsContact O-N 3.07Å; I204-R207 WeakPolarHBondContact O-CB 3.3Å; I204-R207 PolarHBondContact O-N 3.33Å; I204-R207 VanDerWaalsContact O-N 3.08Å; E205-R207 VanDerWaalsContact C-N 3.27Å; E205-R207 PolarHBondContact O-N 2.88Å; R207-Q209 VanDerWaalsContact C-N 3.29Å; R207-Q209 PolarHBondContact O-N 3.17Å; R207-K210 WeakPolarHBondContact O-CB 3.32Å; R207-K210 PolarHBondContact O-N 3.39Å; R207-K210 VanDerWaalsContact O-N 3.14Å; R207-Y211 HydrophobicContact CG-CE2 4.29Å; R207-Y211 VanDerWaalsContact O-CD2 3.29Å; R207-Y211 WeakPolarHBondContact O-CD2 3.25Å; R207-Y211 WeakPolarHBondContact O-CE2 3.42Å
208I88.3Confident87.2Confident42 Ų4271.1 Ų71.122%0.21537%0.371CS..Hα-helixtrans-59.1-42.2175.8-67167.5000110.5F54 I204 E205 K210 Y211 F218F54-I208 HydrophobicContact CE2-CD1 4.46Å; F54-I208 HydrophobicContact CE2-CG1 4.36Å; F54-I208 HydrophobicContact CZ-CD1 4.41Å; F54-I208 HydrophobicContact CZ-CG1 3.84Å; I204-I208 HydrophobicContact CG2-CD1 3.87Å; I204-I208 HydrophobicContact CG2-CG1 4.41Å; I204-I208 WeakPolarHBondContact O-CG1 3.28Å; I204-I208 PolarHBondContact O-N 2.81Å; E205-I208 PolarHBondContact O-N 3.01Å; I208-K210 PolarHBondContact O-N 3.11Å; I208-K210 VanDerWaalsContact O-N 3.17Å; I208-Y211 PolarHBondContact O-N 3.21Å; I208-Y211 VanDerWaalsContact O-N 3.12Å; I208-F218 HydrophobicContact CD1-CD2 4.29Å; I208-F218 HydrophobicContact CD1-CE2 3.89Å; I208-F218 HydrophobicContact CD1-CZ 4.02Å; I208-F218 HydrophobicContact CG1-CE1 4.42Å; I208-F218 HydrophobicContact CG1-CE2 4.49Å; I208-F218 HydrophobicContact CG1-CZ 4.41Å; I208-F218 HydrophobicContact CG2-CE1 3.89Å; I208-F218 HydrophobicContact CG2-CZ 4.17Å
209Q87.7Confident87.2Confident148 Ų14868.8 Ų68.869%0.69235%0.354SS*.THydrogen-bonded Turntrans-63.9-17178.1-72.6170.39.300114.8E205 R207 Y211E205-Q209 VanDerWaalsContact O-CG 3.28Å; E205-Q209 WeakPolarHBondContact O-CG 3.48Å; E205-Q209 PolarHBondContact O-N 3.14Å; R207-Q209 VanDerWaalsContact C-N 3.29Å; R207-Q209 PolarHBondContact O-N 3.17Å; Q209-Y211 VanDerWaalsContact C-N 3.26Å
210K85.1Confident87.3Confident98 Ų9867.8 Ų67.843%0.42634%0.344SS..THydrogen-bonded Turntrans-72.3-22175-67.9-177.9-176.61800112.6E62 K206 R207 I208E62-K210 IonicContact OE1-NZ 3.81Å; E62-K210 PolarHBondContact OE1-NZ 3.16Å; K206-K210 PolarHBondContact O-N 3.06Å; R207-K210 WeakPolarHBondContact O-CB 3.32Å; R207-K210 PolarHBondContact O-N 3.39Å; R207-K210 VanDerWaalsContact O-N 3.14Å; I208-K210 PolarHBondContact O-N 3.11Å; I208-K210 VanDerWaalsContact O-N 3.17Å
211Y82.4Confident87.4Confident23 Ų2367.8 Ų67.89%0.0934%0.344CS..SBendtrans-82.9156.7178.1-63.9-85.6000110.6F56 K57 Q59 R207 I208 Q209 E215F56-Y211 HydrophobicContact CB-CE2 4.45Å; F56-Y211 WeakPolarHBondContact CD2-OH 3.35Å; K57-Y211 HydrophobicContact CB-CE1 4.32Å; K57-Y211 VanDerWaalsContact O-CE1 3.24Å; K57-Y211 WeakPolarHBondContact O-CE1 3.4Å; K57-Y211 PolarHBondContact O-OH 3.36Å; Q59-Y211 HydrophobicContact CG-CE1 4.2Å; R207-Y211 HydrophobicContact CG-CE2 4.29Å; R207-Y211 VanDerWaalsContact O-CD2 3.29Å; R207-Y211 WeakPolarHBondContact O-CD2 3.25Å; R207-Y211 WeakPolarHBondContact O-CE2 3.42Å; I208-Y211 PolarHBondContact O-N 3.21Å; I208-Y211 VanDerWaalsContact O-N 3.12Å; Q209-Y211 VanDerWaalsContact C-N 3.26Å; Y211-E215 HydrophobicContact CD1-CG 4.01Å; Y211-E215 HydrophobicContact CG-CG 4.31Å
212S73.1Confident87.5Confident89 Ų8965.3 Ų65.362%0.62234%0.335SS*.  trans-58.1146174.244.40000110G214 E215S212-G214 PolarHBondContact O-N 2.86Å; S212-E215 PolarHBondContact O-N 2.9Å
213E69.4Low87.7Confident211 Ų21162 Ų6299%0.98631%0.313SS*.THydrogen-bonded Turntrans-54.5-16.7-177.3-68.9-177.1166.700114.3
214G71.1Confident87.9Confident65 Ų6560.6 Ų60.667%0.6730%0.304SS*.THydrogen-bonded Turntrans-96-5.717500000116S212 I216S212-G214 PolarHBondContact O-N 2.86Å; G214-I216 PolarHBondContact O-N 3.35Å
215E81.9Confident88.1Confident30 Ų3060.6 Ų60.614%0.1431%0.305CS..  trans-88.790.6-180-179.360.4-86.100110.4Y211 S212 R217Y211-E215 HydrophobicContact CD1-CG 4.01Å; Y211-E215 HydrophobicContact CG-CG 4.31Å; S212-E215 PolarHBondContact O-N 2.9Å; E215-R217 WeakPolarHBondContact OE1-CB 3.4Å; E215-R217 VanDerWaalsContact OE1-CG 3.28Å; E215-R217 WeakPolarHBondContact OE1-CG 3.16Å; E215-R217 IonicContact OE1-CZ 3.71Å; E215-R217 PolarHBondContact OE1-N 2.99Å; E215-R217 IonicContact OE1-NE 3.63Å; E215-R217 PolarHBondContact OE1-NE 2.95Å; E215-R217 IonicContact OE1-NH2 2.67Å; E215-R217 IonicContact OE2-CZ 3.94Å; E215-R217 IonicContact OE2-NE 2.8Å; E215-R217 PolarHBondContact OE2-NE 3.27Å; E215-R217 IonicContact OE2-NH2 3.89Å; E215-R217 PolarHBondContact OE2-NH2 3.43Å
216I80.6Confident88.3Confident132 Ų13259.1 Ų59.168%0.67730%0.299SS*.  trans-97.76.5-178.959.9169.5000113G214 F218G214-I216 PolarHBondContact O-N 3.35Å; I216-F218 VanDerWaalsContact C-N 3.26Å; I216-F218 PolarHBondContact O-N 3.36Å
217R87.4Confident88.5Confident108 Ų10853.4 Ų53.441%0.40827%0.273SS..  trans-85.271.3-175.4-58.1175.7-67168.92.6110.7D161 F163 E215D161-R217 IonicContact OD2-CZ 2.86Å; D161-R217 IonicContact OD2-NH1 3.48Å; D161-R217 PolarHBondContact OD2-NH1 3.43Å; D161-R217 IonicContact OD2-NH2 3.99Å; D161-R217 PolarHBondContact OD2-NH2 3.48Å; F163-R217 HydrophobicContact CE1-CB 3.77Å; F163-R217 WeakPolarHBondContact CE1-O 3.37Å; F163-R217 HydrophobicContact CZ-CB 4Å; E215-R217 WeakPolarHBondContact OE1-CB 3.4Å; E215-R217 VanDerWaalsContact OE1-CG 3.28Å; E215-R217 WeakPolarHBondContact OE1-CG 3.16Å; E215-R217 IonicContact OE1-CZ 3.71Å; E215-R217 PolarHBondContact OE1-N 2.99Å; E215-R217 IonicContact OE1-NE 3.63Å; E215-R217 PolarHBondContact OE1-NE 2.95Å; E215-R217 IonicContact OE1-NH2 2.67Å; E215-R217 IonicContact OE2-CZ 3.94Å; E215-R217 IonicContact OE2-NE 2.8Å; E215-R217 PolarHBondContact OE2-NE 3.27Å; E215-R217 IonicContact OE2-NH2 3.89Å; E215-R217 PolarHBondContact OE2-NH2 3.43Å
218F90.2Very high88.7Confident83 Ų8356 Ų5636%0.36429%0.285SS..  trans-129.4159.8167.156.4-94.1000109.4F54 L55 I208 I216F54-F218 HydrophobicContact CE2-CB 3.86Å; F54-F218 AromaticContact CE2-CD2 3.92Å; F54-F218 HydrophobicContact CE2-CD2 3.92Å; F54-F218 HydrophobicContact CE2-CG 4.16Å; F54-F218 HydrophobicContact CZ-CB 3.92Å; F54-F218 HydrophobicContact CZ-CD2 4.46Å; F54-F218 HydrophobicContact CZ-CG 4.3Å; L55-F218 CarbonylContact O-C 3.56Å; L55-F218 WeakPolarHBondContact O-CA 3.48Å; L55-F218 VanDerWaalsContact O-CB 3.25Å; L55-F218 WeakPolarHBondContact O-CB 3.24Å; I208-F218 HydrophobicContact CD1-CD2 4.29Å; I208-F218 HydrophobicContact CD1-CE2 3.89Å; I208-F218 HydrophobicContact CD1-CZ 4.02Å; I208-F218 HydrophobicContact CG1-CE1 4.42Å; I208-F218 HydrophobicContact CG1-CE2 4.49Å; I208-F218 HydrophobicContact CG1-CZ 4.41Å; I208-F218 HydrophobicContact CG2-CE1 3.89Å; I208-F218 HydrophobicContact CG2-CZ 4.17Å; I216-F218 VanDerWaalsContact C-N 3.26Å; I216-F218 PolarHBondContact O-N 3.36Å
219N93.6Very high89.1Confident21 Ų2157.1 Ų57.111%0.11229%0.29CS..EExtended strand (participates in β ladder)trans-135.1135.6174.7-170.8-105.8000108.7S13 E34 F54 L55 M221S13-N219 VanDerWaalsContact OG-CG 3.31Å; S13-N219 PolarHBondContact OG-OD1 3.06Å; E34-N219 PolarHBondContact OE1-ND2 3.32Å; F54-N219 WeakPolarHBondContact CA-O 3.5Å; F54-N219 WeakPolarHBondContact CD2-O 3.49Å; L55-N219 HydrophobicContact CB-CB 3.93Å; L55-N219 HydrophobicContact CD2-CB 4.24Å; L55-N219 PolarHBondContact N-O 3.18Å; L55-N219 PolarHBondContact O-N 2.88Å; N219-M221 WeakPolarHBondContact OD1-CE 3.43Å; N219-M221 WeakPolarHBondContact OD1-CG 3.39Å
220L96.1Very high89.4Confident9 Ų951 Ų515%0.04726%0.263CS..EExtended strand (participates in β ladder)trans-122.1125.6176.1-178.263.8000108.4I35 M38 F43 L52 F54 I204I35-L220 HydrophobicContact CB-CB 4.17Å; I35-L220 HydrophobicContact CB-CD2 3.89Å; I35-L220 HydrophobicContact CB-CG 3.9Å; I35-L220 HydrophobicContact CG1-CD2 4.37Å; I35-L220 HydrophobicContact CG1-CG 4.17Å; I35-L220 HydrophobicContact CG2-CD2 3.87Å; I35-L220 HydrophobicContact CG2-CG 4.44Å; I35-L220 PolarHBondContact N-O 3.35Å; M38-L220 HydrophobicContact SD-CD2 3.49Å; M38-L220 WeakPolarHBondContact SD-CD2 3.48Å; F43-L220 HydrophobicContact CZ-CD2 4.46Å; L52-L220 HydrophobicContact CB-CD1 4.13Å; L52-L220 HydrophobicContact CD1-CD1 4.39Å; F54-L220 HydrophobicContact CB-CD1 4.07Å; F54-L220 HydrophobicContact CD2-CB 4.13Å; F54-L220 HydrophobicContact CD2-CD1 3.9Å; F54-L220 HydrophobicContact CG-CD1 4.42Å; I204-L220 HydrophobicContact CD1-CD1 3.97Å; I204-L220 HydrophobicContact CD1-CD2 4.26Å
221M97.4Very high89.9Confident0 Ų047.3 Ų47.30%025%0.246CC..EExtended strand (participates in β ladder)trans-124149.9176.2-74.3179.9-7100110.2S13 P15 F18 V32 E33 L52 I53 F165 N219S13-M221 VanDerWaalsContact OG-CE 3.24Å; S13-M221 WeakPolarHBondContact OG-CE 3.33Å; P15-M221 HydrophobicContact CB-SD 4.39Å; F18-M221 HydrophobicContact CD1-CE 4.37Å; F18-M221 HydrophobicContact CD2-CE 3.58Å; F18-M221 HydrophobicContact CD2-SD 4.02Å; F18-M221 HydrophobicContact CE1-CE 4.17Å; F18-M221 HydrophobicContact CE2-CE 3.34Å; F18-M221 HydrophobicContact CE2-SD 4.37Å; F18-M221 HydrophobicContact CG-CE 4.12Å; F18-M221 HydrophobicContact CG-SD 4.15Å; F18-M221 HydrophobicContact CZ-CE 3.65Å; V32-M221 HydrophobicContact CG1-CB 3.69Å; V32-M221 HydrophobicContact CG1-CG 4.04Å; V32-M221 HydrophobicContact CG1-SD 3.82Å; E33-M221 CarbonylContact O-C 3.45Å; E33-M221 WeakPolarHBondContact O-CA 3.2Å; L52-M221 CarbonylContact C-O 3.58Å; L52-M221 VanDerWaalsContact CA-O 3.32Å; L52-M221 WeakPolarHBondContact CA-O 3.32Å; I53-M221 HydrophobicContact CB-CB 4.47Å; I53-M221 HydrophobicContact CG2-CE 4.47Å; I53-M221 PolarHBondContact N-O 3.34Å; I53-M221 PolarHBondContact O-N 3Å; F165-M221 HydrophobicContact CE1-CE 4.15Å; N219-M221 WeakPolarHBondContact OD1-CE 3.43Å; N219-M221 WeakPolarHBondContact OD1-CG 3.39Å
222A97.9Very high90.6Very high0 Ų050.7 Ų50.70%026%0.263CS..EExtended strand (participates in β ladder)trans-116.4129.2175.300000109.7V32 E33 I35 V49 G51 L52 V224V32-A222 CarbonylContact C-O 3.27Å; V32-A222 WeakPolarHBondContact CA-O 3.24Å; E33-A222 PolarHBondContact N-O 3.48Å; E33-A222 PolarHBondContact O-N 3.26Å; I35-A222 HydrophobicContact CD1-CB 3.86Å; I35-A222 HydrophobicContact CG1-CB 4.03Å; V49-A222 HydrophobicContact CG1-CB 4.03Å; G51-A222 WeakPolarHBondContact O-CA 3.39Å; L52-A222 HydrophobicContact CD2-CB 3.6Å; A222-V224 HydrophobicContact CB-CG1 3.88Å
223I98.3Very high91.6Very high0 Ų052.3 Ų52.30%026%0.259CS..EExtended strand (participates in β ladder)trans-84.2118.2164.2-65.1172000106.6I22 A30 Q31 V32 H50 G51 I53 I93 V96 L97I22-I223 HydrophobicContact CD1-CD1 4.15Å; I22-I223 HydrophobicContact CD1-CG1 4.16Å; I22-I223 HydrophobicContact CD1-CG2 4.36Å; A30-I223 HydrophobicContact CB-CG2 4.18Å; Q31-I223 WeakPolarHBondContact O-CA 3.38Å; V32-I223 HydrophobicContact CG2-CG1 3.99Å; H50-I223 HydrophobicContact CB-CG2 4.27Å; H50-I223 WeakPolarHBondContact CB-O 3.08Å; H50-I223 PolarHBondContact N-O 3.32Å; G51-I223 PolarHBondContact N-O 2.91Å; G51-I223 PolarHBondContact O-N 2.99Å; I53-I223 HydrophobicContact CD1-CD1 3.81Å; I53-I223 HydrophobicContact CD1-CG1 4.28Å; I53-I223 HydrophobicContact CG1-CD1 4.45Å; I93-I223 HydrophobicContact CG2-CD1 4.41Å; V96-I223 HydrophobicContact CB-CD1 3.65Å; V96-I223 HydrophobicContact CG1-CB 4.17Å; V96-I223 HydrophobicContact CG1-CD1 3.67Å; V96-I223 HydrophobicContact CG1-CG1 4.43Å; V96-I223 HydrophobicContact CG1-CG2 4.48Å; V96-I223 HydrophobicContact CG2-CD1 4.05Å; L97-I223 HydrophobicContact CD2-CG2 4.36Å
224V97.7Very high92.7Very high0 Ų045.9 Ų45.90%023%0.228CC..EExtended strand (participates in β ladder)trans-127.2163.5-174.9-58.80000109.9A30 Q31 E33 L46 V49 H50 A222A30-V224 CarbonylContact C-O 3.57Å; A30-V224 VanDerWaalsContact CA-O 3.23Å; A30-V224 WeakPolarHBondContact CA-O 3.32Å; Q31-V224 HydrophobicContact CG-CG2 3.72Å; Q31-V224 PolarHBondContact N-O 3.02Å; Q31-V224 PolarHBondContact O-N 3.09Å; E33-V224 HydrophobicContact CG-CG2 3.72Å; L46-V224 HydrophobicContact CB-CG1 4.15Å; V49-V224 HydrophobicContact CB-CG1 4.45Å; V49-V224 HydrophobicContact CG1-CG1 4.31Å; V49-V224 HydrophobicContact CG2-CG1 4.11Å; H50-V224 VanDerWaalsContact CD2-C 3.48Å; A222-V224 HydrophobicContact CB-CG1 3.88Å
225S97.4Very high93.9Very high1 Ų143.6 Ų43.61%0.00720%0.2CC..EExtended strand (participates in β ladder)trans-59.6147.8169.9-69.30000111.1G29 P48 H50 D104 R227G29-S225 CarbonylContact O-C 3.52Å; G29-S225 WeakPolarHBondContact O-CA 3.27Å; P48-S225 VanDerWaalsContact CG-OG 3.24Å; P48-S225 WeakPolarHBondContact CG-OG 3.41Å; P48-S225 PolarHBondContact O-N 2.87Å; H50-S225 PolarHBondContact CD2-N 3.45Å; H50-S225 PolarHBondContact CE1-OG 2.92Å; H50-S225 PolarHBondContact NE2-N 3.17Å; H50-S225 VanDerWaalsContact NE2-N 3.2Å; H50-S225 PolarHBondContact NE2-OG 2.91Å; D104-S225 WeakPolarHBondContact CB-OG 3.18Å; D104-S225 WeakPolarHBondContact OD2-CB 3.23Å; D104-S225 PolarHBondContact OD2-OG 3.41Å; S225-R227 PolarHBondContact O-N 3.14Å; S225-R227 VanDerWaalsContact O-N 3.08Å
226D96.9Very high94.5Very high35 Ų3544.8 Ų44.819%0.18722%0.215CC..  trans-54.1116.9175.7-177.3-49.4000109.7G29 K228 M229 V230G29-D226 PolarHBondContact O-N 3Å; D226-K228 VanDerWaalsContact C-N 3.34Å; D226-K228 PolarHBondContact O-N 3.42Å; D226-K228 WeakPolarHBondContact OD1-CB 3.31Å; D226-K228 PolarHBondContact OD1-N 3.4Å; D226-M229 HydrophobicContact CB-CB 3.95Å; D226-M229 HydrophobicContact CB-CE 4.41Å; D226-M229 WeakPolarHBondContact O-CB 3.5Å; D226-M229 PolarHBondContact O-N 2.89Å; D226-M229 PolarHBondContact OD1-N 3.08Å; D226-V230 WeakPolarHBondContact O-CG2 3.3Å; D226-V230 PolarHBondContact O-N 3.12Å
227R95.6Very high95.2Very high20 Ų2043.1 Ų43.18%0.07520%0.204CC..Hα-helixtrans-68.1-38-170.4-65.9-56-57-172.9-9.2111.3Q31 N45 K47 S225 V230 Y231 E274Q31-R227 HydrophobicContact CG-CG 4.34Å; Q31-R227 VanDerWaalsContact NE2-CG 3.28Å; N45-R227 PolarHBondContact O-NH1 3.06Å; N45-R227 VanDerWaalsContact O-NH1 3.07Å; N45-R227 PolarHBondContact O-NH2 3.07Å; K47-R227 PolarHBondContact O-NH1 2.99Å; K47-R227 VanDerWaalsContact O-NH1 3.07Å; S225-R227 PolarHBondContact O-N 3.14Å; S225-R227 VanDerWaalsContact O-N 3.08Å; R227-V230 PolarHBondContact O-N 2.83Å; R227-Y231 HydrophobicContact CB-CE2 3.96Å; R227-Y231 PolarHBondContact NE-OH 2.72Å; R227-Y231 VanDerWaalsContact NE-OH 3.17Å; R227-Y231 PolarHBondContact NH2-OH 3.02Å; R227-Y231 WeakPolarHBondContact O-CD2 3.37Å; R227-Y231 PolarHBondContact O-N 3.36Å; R227-E274 HydrophobicContact CB-CG 4.01Å
228K95.3Very high95.4Very high60 Ų6038.8 Ų38.826%0.26119%0.189SC..Hα-helixtrans-62.5-47.1176.5177.3178.6175171.70110.2D226 V230 Y231 E232 I271 N275D226-K228 VanDerWaalsContact C-N 3.34Å; D226-K228 PolarHBondContact O-N 3.42Å; D226-K228 WeakPolarHBondContact OD1-CB 3.31Å; D226-K228 PolarHBondContact OD1-N 3.4Å; K228-V230 VanDerWaalsContact C-N 3.32Å; K228-V230 PolarHBondContact O-N 3.15Å; K228-Y231 PolarHBondContact O-N 3.39Å; K228-E232 WeakPolarHBondContact CE-OE1 3.43Å; K228-E232 HydrophobicContact CG-CG 4.42Å; K228-E232 WeakPolarHBondContact O-CB 3.43Å; K228-E232 WeakPolarHBondContact O-CG 3.48Å; K228-E232 PolarHBondContact O-N 2.9Å; K228-I271 HydrophobicContact CG-CG1 4.48Å; K228-I271 HydrophobicContact CG-CG2 4.24Å; K228-N275 PolarHBondContact NZ-OD1 3.18Å; K228-N275 VanDerWaalsContact NZ-OD1 3.09Å
229M95.4Very high95.5Very high66 Ų6639.3 Ų39.333%0.32519%0.193SC..Hα-helixtrans-58.5-43.6176.2-179.7-174.770.900111.8D104 D226 Y231 E232 K233D104-M229 HydrophobicContact CB-CE 3.77Å; D226-M229 HydrophobicContact CB-CB 3.95Å; D226-M229 HydrophobicContact CB-CE 4.41Å; D226-M229 WeakPolarHBondContact O-CB 3.5Å; D226-M229 PolarHBondContact O-N 2.89Å; D226-M229 PolarHBondContact OD1-N 3.08Å; M229-Y231 PolarHBondContact O-N 2.76Å; M229-E232 PolarHBondContact O-N 2.93Å; M229-K233 PolarHBondContact O-N 2.99Å
230V94.9Very high95.4Very high20 Ų2040.5 Ų40.512%0.12121%0.205CC..Hα-helixtrans-61.2-44.7176.8171.90000111.3D226 R227 K228 K233 K234D226-V230 WeakPolarHBondContact O-CG2 3.3Å; D226-V230 PolarHBondContact O-N 3.12Å; R227-V230 PolarHBondContact O-N 2.83Å; K228-V230 VanDerWaalsContact C-N 3.32Å; K228-V230 PolarHBondContact O-N 3.15Å; V230-K233 PolarHBondContact O-N 3.42Å; V230-K234 WeakPolarHBondContact O-CG 3.41Å; V230-K234 PolarHBondContact O-N 3.3Å; V230-K234 VanDerWaalsContact O-N 3.08Å
231Y95.7Very high95Very high20 Ų2044.3 Ų44.38%0.07822%0.223CC..Hα-helixtrans-67.5-39.8178.9-58.3-32.2000112.5R227 K228 M229 K233 K234 I235 Y267 L270 I271 E274R227-Y231 HydrophobicContact CB-CE2 3.96Å; R227-Y231 PolarHBondContact NE-OH 2.72Å; R227-Y231 VanDerWaalsContact NE-OH 3.17Å; R227-Y231 PolarHBondContact NH2-OH 3.02Å; R227-Y231 WeakPolarHBondContact O-CD2 3.37Å; R227-Y231 PolarHBondContact O-N 3.36Å; K228-Y231 PolarHBondContact O-N 3.39Å; M229-Y231 PolarHBondContact O-N 2.76Å; Y231-K233 VanDerWaalsContact C-N 3.34Å; Y231-K233 PolarHBondContact O-N 2.94Å; Y231-K234 PolarHBondContact O-N 2.82Å; Y231-I235 WeakPolarHBondContact O-CG1 3.38Å; Y231-I235 PolarHBondContact O-N 2.86Å; Y231-Y267 AromaticContact CD1-CD1 3.64Å; Y231-Y267 HydrophobicContact CD1-CD1 3.64Å; Y231-Y267 HydrophobicContact CD1-CE1 4.01Å; Y231-Y267 HydrophobicContact CE1-CD1 4.33Å; Y231-Y267 HydrophobicContact CE1-CE1 4.45Å; Y231-Y267 HydrophobicContact CG-CD1 4.17Å; Y231-L270 HydrophobicContact CD2-CB 3.8Å; Y231-L270 HydrophobicContact CE1-CD1 4.12Å; Y231-L270 HydrophobicContact CE2-CB 3.61Å; Y231-L270 HydrophobicContact CE2-CD1 4.47Å; Y231-L270 HydrophobicContact CG-CB 4.42Å; Y231-I271 HydrophobicContact CD2-CG1 4.02Å; Y231-I271 HydrophobicContact CG-CG1 4.31Å; Y231-E274 HydrophobicContact CE2-CG 4Å
232E95.7Very high94.4Very high94 Ų9446.5 Ų46.544%0.43923%0.234SC..Hα-helixtrans-61.6-42.2175.8-74174.1170.700111.5K228 M229 I235 A236 I271K228-E232 WeakPolarHBondContact CE-OE1 3.43Å; K228-E232 HydrophobicContact CG-CG 4.42Å; K228-E232 WeakPolarHBondContact O-CB 3.43Å; K228-E232 WeakPolarHBondContact O-CG 3.48Å; K228-E232 PolarHBondContact O-N 2.9Å; M229-E232 PolarHBondContact O-N 2.93Å; E232-I235 PolarHBondContact O-N 2.81Å; E232-A236 PolarHBondContact O-N 2.64Å; E232-I271 HydrophobicContact CG-CD1 3.75Å
233K94.3Very high93.6Very high124 Ų12452.3 Ų52.354%0.53927%0.27SS..Hα-helixtrans-61.8-46174.9-172.8-179.4176.5-174.90112M229 V230 Y231 I235 A236 E237M229-K233 PolarHBondContact O-N 2.99Å; V230-K233 PolarHBondContact O-N 3.42Å; Y231-K233 VanDerWaalsContact C-N 3.34Å; Y231-K233 PolarHBondContact O-N 2.94Å; K233-I235 VanDerWaalsContact C-N 3.34Å; K233-I235 PolarHBondContact O-N 2.93Å; K233-A236 PolarHBondContact O-N 3.15Å; K233-E237 VanDerWaalsContact CE-OE1 3.28Å; K233-E237 WeakPolarHBondContact CE-OE1 3.24Å; K233-E237 WeakPolarHBondContact O-CG 3.39Å; K233-E237 PolarHBondContact O-N 3.2Å
234K94.1Very high92.7Very high76 Ų7660 Ų6033%0.3331%0.306SS..Hα-helixtrans-62.2-39.7177-72.5-175.2175.8-171.40112.5V230 Y231 E237 L238 Y267V230-K234 WeakPolarHBondContact O-CG 3.41Å; V230-K234 PolarHBondContact O-N 3.3Å; V230-K234 VanDerWaalsContact O-N 3.08Å; Y231-K234 PolarHBondContact O-N 2.82Å; K234-E237 PolarHBondContact O-N 2.86Å; K234-L238 WeakPolarHBondContact O-CB 3.3Å; K234-L238 VanDerWaalsContact O-CG 3.31Å; K234-L238 WeakPolarHBondContact O-CG 3.49Å; K234-L238 PolarHBondContact O-N 3.24Å; K234-Y267 HydrophobicContact CB-CD2 4.27Å; K234-Y267 HydrophobicContact CB-CE2 4.08Å; K234-Y267 HydrophobicContact CD-CD1 4.43Å; K234-Y267 HydrophobicContact CD-CE1 3.64Å; K234-Y267 HydrophobicContact CD-CE2 4.12Å; K234-Y267 VanDerWaalsContact CD-CZ 3.46Å; K234-Y267 WeakPolarHBondContact CD-OH 3.4Å; K234-Y267 PolarHBondContact NZ-OH 3.35Å
235I94.9Very high91.3Very high16 Ų1663.9 Ų63.98%0.08232%0.324CS..Hα-helixtrans-62.4-44.8174.5-71.2168.2000110.5Y231 E232 K233 E237 L238 Q239 I264 Y267 Q268 I271Y231-I235 WeakPolarHBondContact O-CG1 3.38Å; Y231-I235 PolarHBondContact O-N 2.86Å; E232-I235 PolarHBondContact O-N 2.81Å; K233-I235 VanDerWaalsContact C-N 3.34Å; K233-I235 PolarHBondContact O-N 2.93Å; I235-E237 VanDerWaalsContact C-N 3.34Å; I235-E237 PolarHBondContact O-N 3.1Å; I235-L238 PolarHBondContact O-N 3.38Å; I235-Q239 HydrophobicContact CG2-CG 4.2Å; I235-Q239 WeakPolarHBondContact O-CB 3.19Å; I235-Q239 VanDerWaalsContact O-CG 3.25Å; I235-Q239 WeakPolarHBondContact O-CG 2.86Å; I235-Q239 PolarHBondContact O-N 2.93Å; I235-I264 HydrophobicContact CG2-CG2 4.24Å; I235-Y267 HydrophobicContact CG1-CG 4.4Å; I235-Q268 HydrophobicContact CD1-CG 3.89Å; I235-I271 HydrophobicContact CD1-CD1 3.6Å
236A95.4Very high89.4Confident55 Ų5571.6 Ų71.646%0.45536%0.36SS..Hα-helixtrans-62.3-40.9178.800000112.2E232 K233 Q239 A240E232-A236 PolarHBondContact O-N 2.64Å; K233-A236 PolarHBondContact O-N 3.15Å; A236-Q239 PolarHBondContact O-N 3.4Å; A236-A240 PolarHBondContact O-N 3.02Å
237E94.1Very high87.5Confident97 Ų9776 Ų7645%0.45339%0.391SS..Hα-helixtrans-61.8-46.5174.6-71.7168.7-174.100111.8K233 K234 I235 Q239 A240 Q241K233-E237 VanDerWaalsContact CE-OE1 3.28Å; K233-E237 WeakPolarHBondContact CE-OE1 3.24Å; K233-E237 WeakPolarHBondContact O-CG 3.39Å; K233-E237 PolarHBondContact O-N 3.2Å; K234-E237 PolarHBondContact O-N 2.86Å; I235-E237 VanDerWaalsContact C-N 3.34Å; I235-E237 PolarHBondContact O-N 3.1Å; E237-Q239 PolarHBondContact O-N 3.23Å; E237-A240 PolarHBondContact O-N 2.89Å; E237-Q241 WeakPolarHBondContact O-CG 3.47Å; E237-Q241 PolarHBondContact O-N 3.38Å; E237-Q241 VanDerWaalsContact O-N 3.15Å
238L93.1Very high85.7Confident17 Ų1781.5 Ų81.59%0.08942%0.419CS..Hα-helixtrans-65.1-36.7176.9-72173.4000112.6K234 I235 Q241 L242 I260 E263 I264 Y267K234-L238 WeakPolarHBondContact O-CB 3.3Å; K234-L238 VanDerWaalsContact O-CG 3.31Å; K234-L238 WeakPolarHBondContact O-CG 3.49Å; K234-L238 PolarHBondContact O-N 3.24Å; I235-L238 PolarHBondContact O-N 3.38Å; L238-Q241 PolarHBondContact O-N 3.29Å; L238-L242 WeakPolarHBondContact O-CG 3.49Å; L238-L242 PolarHBondContact O-N 3.34Å; L238-I260 HydrophobicContact CB-CG2 3.94Å; L238-I260 HydrophobicContact CD2-CG2 4.13Å; L238-E263 HydrophobicContact CD1-CB 3.83Å; L238-I264 HydrophobicContact CB-CD1 4.05Å; L238-I264 HydrophobicContact CB-CG1 3.83Å; L238-I264 HydrophobicContact CD1-CG1 3.96Å; L238-Y267 HydrophobicContact CD1-CD2 3.99Å; L238-Y267 HydrophobicContact CD1-CE2 3.93Å
239Q91.9Very high84.2Confident95 Ų9585.9 Ų85.944%0.44445%0.445SS..Hα-helixtrans-68.3-35.5175.7-75.7175.7-18.700112.6I235 A236 E237 L242 T243 I264I235-Q239 HydrophobicContact CG2-CG 4.2Å; I235-Q239 WeakPolarHBondContact O-CB 3.19Å; I235-Q239 VanDerWaalsContact O-CG 3.25Å; I235-Q239 WeakPolarHBondContact O-CG 2.86Å; I235-Q239 PolarHBondContact O-N 2.93Å; A236-Q239 PolarHBondContact O-N 3.4Å; E237-Q239 PolarHBondContact O-N 3.23Å; Q239-L242 PolarHBondContact O-N 2.89Å; Q239-T243 PolarHBondContact O-N 3.42Å; Q239-T243 PolarHBondContact O-OG1 2.85Å; Q239-I264 HydrophobicContact CG-CD1 3.94Å
240A90.8Very high83Confident45 Ų4586 Ų8637%0.37245%0.45SS..Hα-helixtrans-63.9-44.2173.700000111A236 E237 L242 T243 E244A236-A240 PolarHBondContact O-N 3.02Å; E237-A240 PolarHBondContact O-N 2.89Å; A240-L242 VanDerWaalsContact C-N 3.3Å; A240-L242 PolarHBondContact O-N 3.03Å; A240-T243 PolarHBondContact O-N 3.16Å; A240-E244 PolarHBondContact O-N 3.29Å; A240-E244 VanDerWaalsContact O-N 3.1Å
241Q87.6Confident81.8Confident89 Ų8991.7 Ų91.742%0.41648%0.479SS..Hα-helixtrans-57.7-41.5175.7-69.4173.211.300112.3E237 L238 T243 E244 E245 I260E237-Q241 WeakPolarHBondContact O-CG 3.47Å; E237-Q241 PolarHBondContact O-N 3.38Å; E237-Q241 VanDerWaalsContact O-N 3.15Å; L238-Q241 PolarHBondContact O-N 3.29Å; Q241-T243 PolarHBondContact O-N 2.94Å; Q241-E244 PolarHBondContact O-N 3.42Å; Q241-E245 PolarHBondContact O-N 3.29Å; Q241-I260 HydrophobicContact CB-CD1 4.38Å
242L84.7Confident80.6Confident47 Ų4798.7 Ų98.725%0.24651%0.513CS..Hα-helixtrans-63-25.1175.2-72.1173.2000114L238 Q239 A240 L257 I260 I264L238-L242 WeakPolarHBondContact O-CG 3.49Å; L238-L242 PolarHBondContact O-N 3.34Å; Q239-L242 PolarHBondContact O-N 2.89Å; A240-L242 VanDerWaalsContact C-N 3.3Å; A240-L242 PolarHBondContact O-N 3.03Å; L242-L257 HydrophobicContact CD2-CD2 3.41Å; L242-L257 VanDerWaalsContact CD2-CD2 3.41Å; L242-I260 HydrophobicContact CD1-CG2 3.82Å; L242-I260 HydrophobicContact CD2-CB 4.03Å; L242-I260 HydrophobicContact CD2-CD1 4.13Å; L242-I260 HydrophobicContact CD2-CG2 3.86Å; L242-I260 HydrophobicContact CG-CB 4.41Å; L242-I260 HydrophobicContact CG-CD1 4.49Å; L242-I260 HydrophobicContact CG-CG2 3.69Å; L242-I264 HydrophobicContact CD1-CD1 3.71Å
243T81.8Confident79.5Confident121 Ų12195.5 Ų95.574%0.74250%0.498SS*.Hα-helixtrans-91.2-27.3-176.1-50.20000111.9Q239 A240 Q241Q239-T243 PolarHBondContact O-N 3.42Å; Q239-T243 PolarHBondContact O-OG1 2.85Å; A240-T243 PolarHBondContact O-N 3.16Å; Q241-T243 PolarHBondContact O-N 2.94Å
244E79.2Confident78.6Confident163 Ų16393.5 Ų93.576%0.76249%0.494SS*.Hα-helixtrans-81.5-22.3-179.7-71.6-179.317800113.6A240 Q241 E246A240-E244 PolarHBondContact O-N 3.29Å; A240-E244 VanDerWaalsContact O-N 3.1Å; Q241-E244 PolarHBondContact O-N 3.42Å; E244-E246 PolarHBondContact O-N 3.48Å
245E68.3Low78Confident81 Ų8194.4 Ų94.438%0.37951%0.506SS..SBendtrans-79.3112.4175.3-72-170.1156.200111.6Q241 N253 F256Q241-E245 PolarHBondContact O-N 3.29Å; E245-N253 PolarHBondContact OE2-OD1 2.69Å; E245-F256 VanDerWaalsContact CD-CE1 3.44Å; E245-F256 WeakPolarHBondContact OE1-CE1 3.28Å; E245-F256 WeakPolarHBondContact OE2-CD1 3.43Å; E245-F256 WeakPolarHBondContact OE2-CE1 2.97Å
246E59.1Low77.5Confident163 Ų16397.5 Ų97.576%0.76252%0.519SS*.  trans-62.2145.1171.3-73-162164.900111.1E244 M248E244-E246 PolarHBondContact O-N 3.48Å; E246-M248 VanDerWaalsContact C-N 3.28Å; E246-M248 PolarHBondContact O-N 2.84Å
247P56.8Low76.9Confident128 Ų12897.1 Ų97.183%0.83151%0.509SS*.  trans-73.180.8-177.630.2-33.7000110.6
248M58Low76.5Confident135 Ų13595.5 Ų95.567%0.66551%0.508SS*.  trans-88.6115.9160.4-71.7-167.969.100108.7E246 T250 N253E246-M248 VanDerWaalsContact C-N 3.28Å; E246-M248 PolarHBondContact O-N 2.84Å; M248-T250 VanDerWaalsContact C-N 3.26Å; M248-T250 PolarHBondContact O-N 2.69Å; M248-N253 PolarHBondContact O-ND2 2.92Å
249D62.1Low76.4Confident152 Ų15297.2 Ų97.281%0.81352%0.522SS*.  trans-7672.9-173.5-1492.6000110.6
250T69.9Low76.3Confident69 Ų6993 Ų9342%0.42350%0.502SS..  trans-117.7142.6175.361.40000109.8M248 Q252 N253 N254M248-T250 VanDerWaalsContact C-N 3.26Å; M248-T250 PolarHBondContact O-N 2.69Å; T250-Q252 PolarHBondContact O-N 3.2Å; T250-Q252 VanDerWaalsContact O-N 3.11Å; T250-N253 WeakPolarHBondContact O-CB 3.24Å; T250-N253 PolarHBondContact O-N 3.45Å; T250-N253 WeakPolarHBondContact OG1-CB 3.09Å; T250-N254 PolarHBondContact O-N 2.64Å
251D70.3Confident76.3Confident139 Ų13996.6 Ų96.674%0.74351%0.511SS*.Hα-helixtrans-56.8-29.1-179.3-71.9-28.9000113.3T255D251-T255 PolarHBondContact O-N 3.23Å; D251-T255 PolarHBondContact O-OG1 3.05Å
252Q70.9Confident76.5Confident167 Ų16796.3 Ų96.378%0.7852%0.519SS*.Hα-helixtrans-67.3-39.3174.7-69.6-179.4-8.200112T250 T255 F256T250-Q252 PolarHBondContact O-N 3.2Å; T250-Q252 VanDerWaalsContact O-N 3.11Å; Q252-T255 PolarHBondContact O-N 2.97Å; Q252-F256 PolarHBondContact O-N 3.4Å
253N72.6Confident77Confident26 Ų2698.4 Ų98.414%0.13953%0.528CS..Hα-helixtrans-67-42.8177.8-158.518000111E245 M248 T250 T255 F256 L257E245-N253 PolarHBondContact OE2-OD1 2.69Å; M248-N253 PolarHBondContact O-ND2 2.92Å; T250-N253 WeakPolarHBondContact O-CB 3.24Å; T250-N253 PolarHBondContact O-N 3.45Å; T250-N253 WeakPolarHBondContact OG1-CB 3.09Å; N253-T255 VanDerWaalsContact C-N 3.3Å; N253-T255 PolarHBondContact O-N 3.12Å; N253-F256 PolarHBondContact O-N 3.45Å; N253-L257 WeakPolarHBondContact O-CB 3.46Å; N253-L257 VanDerWaalsContact O-CG 3.26Å; N253-L257 WeakPolarHBondContact O-CG 3.41Å; N253-L257 PolarHBondContact O-N 2.99Å
254N75.3Confident77.5Confident83 Ų8393.4 Ų93.444%0.44450%0.496SS..Hα-helixtrans-60.6-38.2175.3-76.3-32.2000112.9T250 S258T250-N254 PolarHBondContact O-N 2.64Å; N254-S258 WeakPolarHBondContact O-CB 3.27Å; N254-S258 PolarHBondContact O-N 2.75Å; N254-S258 VanDerWaalsContact O-N 3.12Å
255T82.1Confident78.3Confident95 Ų9588.2 Ų88.258%0.58348%0.481SS*.Hα-helixtrans-67.1-44.1176.3-55.40000111D251 Q252 N253 S258 S259D251-T255 PolarHBondContact O-N 3.23Å; D251-T255 PolarHBondContact O-OG1 3.05Å; Q252-T255 PolarHBondContact O-N 2.97Å; N253-T255 VanDerWaalsContact C-N 3.3Å; N253-T255 PolarHBondContact O-N 3.12Å; T255-S258 PolarHBondContact O-N 3.18Å; T255-S258 PolarHBondContact O-OG 2.92Å; T255-S259 PolarHBondContact O-N 2.88Å; T255-S259 VanDerWaalsContact O-N 3.08Å
256F83.1Confident79.6Confident80 Ų8090.6 Ų90.635%0.35149%0.49SS..Hα-helixtrans-62.9-49177.8-178.3-107.1000112.3E245 Q252 N253 S258 S259 I260E245-F256 VanDerWaalsContact CD-CE1 3.44Å; E245-F256 WeakPolarHBondContact OE1-CE1 3.28Å; E245-F256 WeakPolarHBondContact OE2-CD1 3.43Å; E245-F256 WeakPolarHBondContact OE2-CE1 2.97Å; Q252-F256 PolarHBondContact O-N 3.4Å; N253-F256 PolarHBondContact O-N 3.45Å; F256-S258 VanDerWaalsContact C-N 3.27Å; F256-S258 PolarHBondContact O-N 2.77Å; F256-S259 PolarHBondContact O-N 3.31Å; F256-S259 PolarHBondContact O-OG 2.99Å; F256-I260 HydrophobicContact CD1-CD1 3.91Å; F256-I260 HydrophobicContact CE1-CD1 3.3Å; F256-I260 HydrophobicContact CE1-CG1 4.33Å; F256-I260 HydrophobicContact CE2-CD1 4.2Å; F256-I260 HydrophobicContact CZ-CD1 3.49Å; F256-I260 VanDerWaalsContact CZ-CD1 3.49Å; F256-I260 HydrophobicContact CZ-CG1 4.27Å; F256-I260 PolarHBondContact O-N 2.72Å
257L83.4Confident81.3Confident47 Ų4784.5 Ų84.525%0.24646%0.46CS..Hα-helixtrans-55.7-42.1175.2-68173.7000112L242 N253 S259 I260 Q261L242-L257 HydrophobicContact CD2-CD2 3.41Å; L242-L257 VanDerWaalsContact CD2-CD2 3.41Å; N253-L257 WeakPolarHBondContact O-CB 3.46Å; N253-L257 VanDerWaalsContact O-CG 3.26Å; N253-L257 WeakPolarHBondContact O-CG 3.41Å; N253-L257 PolarHBondContact O-N 2.99Å; L257-S259 PolarHBondContact O-N 2.93Å; L257-I260 PolarHBondContact O-N 2.76Å; L257-Q261 VanDerWaalsContact O-CG 3.31Å; L257-Q261 WeakPolarHBondContact O-CG 3.32Å; L257-Q261 PolarHBondContact O-N 2.81Å
258S86.8Confident83.2Confident63 Ų6383.5 Ų83.544%0.44145%0.445SS..Hα-helixtrans-65.2-36.9177.378.30000112.9N254 T255 F256 Q261 S262N254-S258 WeakPolarHBondContact O-CB 3.27Å; N254-S258 PolarHBondContact O-N 2.75Å; N254-S258 VanDerWaalsContact O-N 3.12Å; T255-S258 PolarHBondContact O-N 3.18Å; T255-S258 PolarHBondContact O-OG 2.92Å; F256-S258 VanDerWaalsContact C-N 3.27Å; F256-S258 PolarHBondContact O-N 2.77Å; S258-Q261 PolarHBondContact O-N 2.64Å; S258-S262 WeakPolarHBondContact O-CB 3.34Å; S258-S262 PolarHBondContact O-N 3.06Å
259S89.4Confident85Confident54 Ų5482.4 Ų82.438%0.37844%0.441SS..Hα-helixtrans-66.5-43.717662.50000112.3T255 F256 L257 Q261 S262 E263T255-S259 PolarHBondContact O-N 2.88Å; T255-S259 VanDerWaalsContact O-N 3.08Å; F256-S259 PolarHBondContact O-N 3.31Å; F256-S259 PolarHBondContact O-OG 2.99Å; L257-S259 PolarHBondContact O-N 2.93Å; S259-Q261 PolarHBondContact O-N 2.78Å; S259-S262 WeakPolarHBondContact O-CB 3.24Å; S259-S262 PolarHBondContact O-N 2.87Å; S259-E263 PolarHBondContact O-N 2.91Å
260I90.1Very high86.6Confident5 Ų577 Ų773%0.02641%0.412CS..Hα-helixtrans-63.1-44.3176.6-67175.6000110.6L238 Q241 L242 F256 L257 S262 E263 I264L238-I260 HydrophobicContact CB-CG2 3.94Å; L238-I260 HydrophobicContact CD2-CG2 4.13Å; Q241-I260 HydrophobicContact CB-CD1 4.38Å; L242-I260 HydrophobicContact CD1-CG2 3.82Å; L242-I260 HydrophobicContact CD2-CB 4.03Å; L242-I260 HydrophobicContact CD2-CD1 4.13Å; L242-I260 HydrophobicContact CD2-CG2 3.86Å; L242-I260 HydrophobicContact CG-CB 4.41Å; L242-I260 HydrophobicContact CG-CD1 4.49Å; L242-I260 HydrophobicContact CG-CG2 3.69Å; F256-I260 HydrophobicContact CD1-CD1 3.91Å; F256-I260 HydrophobicContact CE1-CD1 3.3Å; F256-I260 HydrophobicContact CE1-CG1 4.33Å; F256-I260 HydrophobicContact CE2-CD1 4.2Å; F256-I260 HydrophobicContact CZ-CD1 3.49Å; F256-I260 VanDerWaalsContact CZ-CD1 3.49Å; F256-I260 HydrophobicContact CZ-CG1 4.27Å; F256-I260 PolarHBondContact O-N 2.72Å; L257-I260 PolarHBondContact O-N 2.76Å; I260-S262 VanDerWaalsContact C-N 3.28Å; I260-S262 PolarHBondContact O-N 3.48Å; I260-E263 PolarHBondContact O-N 2.8Å; I260-E263 VanDerWaalsContact O-N 3.13Å; I260-I264 HydrophobicContact CG2-CD1 3.86Å; I260-I264 HydrophobicContact CG2-CG1 4.29Å; I260-I264 WeakPolarHBondContact O-CG1 3.46Å; I260-I264 PolarHBondContact O-N 3.27Å
261Q90.3Very high87.9Confident121 Ų12174.8 Ų74.857%0.56540%0.397SS*.Hα-helixtrans-60-39.7176.3-73.7177-100112L257 S258 S259 I264 A265L257-Q261 VanDerWaalsContact O-CG 3.31Å; L257-Q261 WeakPolarHBondContact O-CG 3.32Å; L257-Q261 PolarHBondContact O-N 2.81Å; S258-Q261 PolarHBondContact O-N 2.64Å; S259-Q261 PolarHBondContact O-N 2.78Å; Q261-I264 PolarHBondContact O-N 2.75Å; Q261-A265 WeakPolarHBondContact O-CB 3.45Å; Q261-A265 PolarHBondContact O-N 3.34Å
262S93.6Very high89.1Confident83 Ų8372 Ų7258%0.5838%0.38SS*.Hα-helixtrans-64.3-39.1174.4-172.80000112.3S258 S259 I260 K266S258-S262 WeakPolarHBondContact O-CB 3.34Å; S258-S262 PolarHBondContact O-N 3.06Å; S259-S262 WeakPolarHBondContact O-CB 3.24Å; S259-S262 PolarHBondContact O-N 2.87Å; I260-S262 VanDerWaalsContact C-N 3.28Å; I260-S262 PolarHBondContact O-N 3.48Å; S262-K266 PolarHBondContact O-N 3.45Å
263E93.6Very high90.3Very high92 Ų9268.8 Ų68.843%0.4337%0.365SS..Hα-helixtrans-68.1-41.7175.9-73.7-165-177.900112.5L238 S259 I260 A265 K266 Y267L238-E263 HydrophobicContact CD1-CB 3.83Å; S259-E263 PolarHBondContact O-N 2.91Å; I260-E263 PolarHBondContact O-N 2.8Å; I260-E263 VanDerWaalsContact O-N 3.13Å; E263-A265 VanDerWaalsContact C-N 3.33Å; E263-A265 PolarHBondContact O-N 2.77Å; E263-K266 WeakPolarHBondContact O-CB 3.5Å; E263-K266 PolarHBondContact O-N 2.73Å; E263-Y267 WeakPolarHBondContact O-CD2 3.33Å; E263-Y267 PolarHBondContact O-N 2.79Å
264I93.7Very high91.4Very high15 Ų1568.7 Ų68.78%0.07736%0.363CS..Hα-helixtrans-59.6-46.7174.7-69.5171000110I235 L238 Q239 L242 I260 Q261 K266 Y267 Q268I235-I264 HydrophobicContact CG2-CG2 4.24Å; L238-I264 HydrophobicContact CB-CD1 4.05Å; L238-I264 HydrophobicContact CB-CG1 3.83Å; L238-I264 HydrophobicContact CD1-CG1 3.96Å; Q239-I264 HydrophobicContact CG-CD1 3.94Å; L242-I264 HydrophobicContact CD1-CD1 3.71Å; I260-I264 HydrophobicContact CG2-CD1 3.86Å; I260-I264 HydrophobicContact CG2-CG1 4.29Å; I260-I264 WeakPolarHBondContact O-CG1 3.46Å; I260-I264 PolarHBondContact O-N 3.27Å; Q261-I264 PolarHBondContact O-N 2.75Å; I264-K266 VanDerWaalsContact C-N 3.29Å; I264-K266 PolarHBondContact O-N 3.36Å; I264-Y267 PolarHBondContact O-N 3.39Å; I264-Q268 HydrophobicContact CG2-CG 4.4Å; I264-Q268 WeakPolarHBondContact O-CG 3.41Å; I264-Q268 PolarHBondContact O-N 3.3Å
265A95.2Very high92.3Very high54 Ų5466.5 Ų66.545%0.44635%0.352SS..Hα-helixtrans-60.7-39177.300000112Q261 E263 Q268 L269Q261-A265 WeakPolarHBondContact O-CB 3.45Å; Q261-A265 PolarHBondContact O-N 3.34Å; E263-A265 VanDerWaalsContact C-N 3.33Å; E263-A265 PolarHBondContact O-N 2.77Å; A265-Q268 PolarHBondContact O-N 3.01Å; A265-L269 PolarHBondContact O-N 3.16Å
266K95.7Very high93Very high131 Ų13166.9 Ų66.957%0.5735%0.347SS*.Hα-helixtrans-61-49173.8179.6-175175.2-175.80111.6S262 E263 I264 Q268 L269 L270S262-K266 PolarHBondContact O-N 3.45Å; E263-K266 WeakPolarHBondContact O-CB 3.5Å; E263-K266 PolarHBondContact O-N 2.73Å; I264-K266 VanDerWaalsContact C-N 3.29Å; I264-K266 PolarHBondContact O-N 3.36Å; K266-Q268 VanDerWaalsContact C-N 3.32Å; K266-Q268 PolarHBondContact O-N 3.5Å; K266-L269 WeakPolarHBondContact O-CB 3.32Å; K266-L269 PolarHBondContact O-N 3.34Å; K266-L270 HydrophobicContact CG-CD1 4.41Å; K266-L270 WeakPolarHBondContact O-CG 3.33Å; K266-L270 PolarHBondContact O-N 2.85Å; K266-L270 VanDerWaalsContact O-N 3.1Å
267Y95.8Very high93.5Very high35 Ų3564.4 Ų64.414%0.13734%0.336CS..Hα-helixtrans-66.2-33.7178.8-71.5-58000112.7Y231 K234 I235 L238 E263 I264 L270 I271Y231-Y267 AromaticContact CD1-CD1 3.64Å; Y231-Y267 HydrophobicContact CD1-CD1 3.64Å; Y231-Y267 HydrophobicContact CD1-CE1 4.01Å; Y231-Y267 HydrophobicContact CE1-CD1 4.33Å; Y231-Y267 HydrophobicContact CE1-CE1 4.45Å; Y231-Y267 HydrophobicContact CG-CD1 4.17Å; K234-Y267 HydrophobicContact CB-CD2 4.27Å; K234-Y267 HydrophobicContact CB-CE2 4.08Å; K234-Y267 HydrophobicContact CD-CD1 4.43Å; K234-Y267 HydrophobicContact CD-CE1 3.64Å; K234-Y267 HydrophobicContact CD-CE2 4.12Å; K234-Y267 VanDerWaalsContact CD-CZ 3.46Å; K234-Y267 WeakPolarHBondContact CD-OH 3.4Å; K234-Y267 PolarHBondContact NZ-OH 3.35Å; I235-Y267 HydrophobicContact CG1-CG 4.4Å; L238-Y267 HydrophobicContact CD1-CD2 3.99Å; L238-Y267 HydrophobicContact CD1-CE2 3.93Å; E263-Y267 WeakPolarHBondContact O-CD2 3.33Å; E263-Y267 PolarHBondContact O-N 2.79Å; I264-Y267 PolarHBondContact O-N 3.39Å; Y267-L270 HydrophobicContact CD1-CD1 4.03Å; Y267-L270 HydrophobicContact CE1-CD1 4.47Å; Y267-L270 PolarHBondContact O-N 3.13Å; Y267-I271 WeakPolarHBondContact O-CG1 3.18Å; Y267-I271 PolarHBondContact O-N 2.91Å
268Q95.6Very high93.9Very high108 Ų10863.9 Ų63.951%0.50533%0.333SS..Hα-helixtrans-63.5-41.7173.4-74175.8-9.600112.4I235 I264 A265 K266 I271 E272I235-Q268 HydrophobicContact CD1-CG 3.89Å; I264-Q268 HydrophobicContact CG2-CG 4.4Å; I264-Q268 WeakPolarHBondContact O-CG 3.41Å; I264-Q268 PolarHBondContact O-N 3.3Å; A265-Q268 PolarHBondContact O-N 3.01Å; K266-Q268 VanDerWaalsContact C-N 3.32Å; K266-Q268 PolarHBondContact O-N 3.5Å; Q268-I271 PolarHBondContact O-N 2.86Å; Q268-E272 PolarHBondContact O-N 2.9Å; Q268-E272 VanDerWaalsContact O-N 3.15Å
269L96.4Very high94.2Very high111 Ų11166.7 Ų66.758%0.58134%0.337SS*.Hα-helixtrans-59.8-47.2173.7-17283.8000110.9A265 K266 I271 E272 E273A265-L269 PolarHBondContact O-N 3.16Å; K266-L269 WeakPolarHBondContact O-CB 3.32Å; K266-L269 PolarHBondContact O-N 3.34Å; L269-I271 VanDerWaalsContact C-N 3.31Å; L269-I271 PolarHBondContact O-N 3.38Å; L269-E272 WeakPolarHBondContact O-CB 3.4Å; L269-E272 PolarHBondContact O-N 3.03Å; L269-E272 VanDerWaalsContact O-N 3.07Å; L269-E273 PolarHBondContact O-N 2.93Å
270L95.8Very high94.4Very high40 Ų4070.7 Ų70.721%0.20934%0.344CS..Hα-helixtrans-61.8-37.1178.9-67.8171.5000112.5Y231 K266 Y267 E272 E273 E274Y231-L270 HydrophobicContact CD2-CB 3.8Å; Y231-L270 HydrophobicContact CE1-CD1 4.12Å; Y231-L270 HydrophobicContact CE2-CB 3.61Å; Y231-L270 HydrophobicContact CE2-CD1 4.47Å; Y231-L270 HydrophobicContact CG-CB 4.42Å; K266-L270 HydrophobicContact CG-CD1 4.41Å; K266-L270 WeakPolarHBondContact O-CG 3.33Å; K266-L270 PolarHBondContact O-N 2.85Å; K266-L270 VanDerWaalsContact O-N 3.1Å; Y267-L270 HydrophobicContact CD1-CD1 4.03Å; Y267-L270 HydrophobicContact CE1-CD1 4.47Å; Y267-L270 PolarHBondContact O-N 3.13Å; L270-E272 VanDerWaalsContact C-N 3.32Å; L270-E272 PolarHBondContact O-N 2.96Å; L270-E273 PolarHBondContact O-N 2.77Å; L270-E274 WeakPolarHBondContact O-CG 3.35Å; L270-E274 PolarHBondContact O-N 2.69Å
271I96.4Very high94.5Very high22 Ų2271.6 Ų71.611%0.11335%0.348CS..Hα-helixtrans-62.6-40.4173.5-73.2168000111.1K228 Y231 E232 I235 Y267 Q268 L269 E274 N275K228-I271 HydrophobicContact CG-CG1 4.48Å; K228-I271 HydrophobicContact CG-CG2 4.24Å; Y231-I271 HydrophobicContact CD2-CG1 4.02Å; Y231-I271 HydrophobicContact CG-CG1 4.31Å; E232-I271 HydrophobicContact CG-CD1 3.75Å; I235-I271 HydrophobicContact CD1-CD1 3.6Å; Y267-I271 WeakPolarHBondContact O-CG1 3.18Å; Y267-I271 PolarHBondContact O-N 2.91Å; Q268-I271 PolarHBondContact O-N 2.86Å; L269-I271 VanDerWaalsContact C-N 3.31Å; L269-I271 PolarHBondContact O-N 3.38Å; I271-E274 PolarHBondContact O-N 3.22Å; I271-N275 WeakPolarHBondContact O-CB 3.4Å; I271-N275 VanDerWaalsContact O-CG 3.22Å; I271-N275 PolarHBondContact O-N 2.84Å; I271-N275 PolarHBondContact O-ND2 3.25Å; I271-N275 VanDerWaalsContact O-ND2 3.17Å
272E96.4Very high94.4Very high80 Ų8072 Ų7237%0.37435%0.347SS..Hα-helixtrans-67.3-39.4177.8-176.454.7-155.500111.7Q268 L269 L270 N275 Q276Q268-E272 PolarHBondContact O-N 2.9Å; Q268-E272 VanDerWaalsContact O-N 3.15Å; L269-E272 WeakPolarHBondContact O-CB 3.4Å; L269-E272 PolarHBondContact O-N 3.03Å; L269-E272 VanDerWaalsContact O-N 3.07Å; L270-E272 VanDerWaalsContact C-N 3.32Å; L270-E272 PolarHBondContact O-N 2.96Å; E272-N275 PolarHBondContact O-N 2.9Å; E272-Q276 VanDerWaalsContact O-CG 3.32Å; E272-Q276 WeakPolarHBondContact O-CG 3.35Å; E272-Q276 PolarHBondContact O-N 3.32Å; E272-Q276 PolarHBondContact OE1-NE2 2.87Å
273E95.4Very high94.3Very high100 Ų10072.1 Ų72.147%0.46734%0.341SS..Hα-helixtrans-59.4-45.7172.6-69.4178.7172.300111.8L269 L270 N275 Q276 K277L269-E273 PolarHBondContact O-N 2.93Å; L270-E273 PolarHBondContact O-N 2.77Å; E273-N275 PolarHBondContact O-N 3.35Å; E273-Q276 PolarHBondContact O-N 3.47Å; E273-K277 WeakPolarHBondContact O-CB 3.29Å; E273-K277 PolarHBondContact O-N 3.45Å
274E95.4Very high94.2Very high23 Ų2370.3 Ų70.311%0.10733%0.332CS..Hα-helixtrans-63.1-40.8175-73.3-58.9132.100112.1Q31 R227 Y231 L270 I271 Q276 K277 L278Q31-E274 PolarHBondContact NE2-OE2 3.45Å; R227-E274 HydrophobicContact CB-CG 4.01Å; Y231-E274 HydrophobicContact CE2-CG 4Å; L270-E274 WeakPolarHBondContact O-CG 3.35Å; L270-E274 PolarHBondContact O-N 2.69Å; I271-E274 PolarHBondContact O-N 3.22Å; E274-Q276 VanDerWaalsContact C-N 3.34Å; E274-Q276 PolarHBondContact O-N 3.02Å; E274-K277 WeakPolarHBondContact O-CB 3.32Å; E274-K277 PolarHBondContact O-N 3.37Å; E274-K277 IonicContact OE1-NZ 3.93Å; E274-L278 WeakPolarHBondContact O-CG 3.39Å; E274-L278 PolarHBondContact O-N 3.45Å
275N95.1Very high93.8Very high37 Ų3770.7 Ų70.720%0.19833%0.334CS..Hα-helixtrans-62.9-40.5175.3-71.8-38.1000111.6K228 I271 E272 E273 L278 K279K228-N275 PolarHBondContact NZ-OD1 3.18Å; K228-N275 VanDerWaalsContact NZ-OD1 3.09Å; I271-N275 WeakPolarHBondContact O-CB 3.4Å; I271-N275 VanDerWaalsContact O-CG 3.22Å; I271-N275 PolarHBondContact O-N 2.84Å; I271-N275 PolarHBondContact O-ND2 3.25Å; I271-N275 VanDerWaalsContact O-ND2 3.17Å; E272-N275 PolarHBondContact O-N 2.9Å; E273-N275 PolarHBondContact O-N 3.35Å; N275-L278 PolarHBondContact O-N 3.04Å; N275-K279 VanDerWaalsContact O-CG 3.32Å; N275-K279 WeakPolarHBondContact O-CG 3.18Å; N275-K279 PolarHBondContact O-N 3.13Å
276Q95.6Very high93.4Very high103 Ų10373.8 Ų73.848%0.48134%0.342SS..Hα-helixtrans-67-40.4176.4-72.1177.414.800111.9E272 E273 E274 K279 R280E272-Q276 VanDerWaalsContact O-CG 3.32Å; E272-Q276 WeakPolarHBondContact O-CG 3.35Å; E272-Q276 PolarHBondContact O-N 3.32Å; E272-Q276 PolarHBondContact OE1-NE2 2.87Å; E273-Q276 PolarHBondContact O-N 3.47Å; E274-Q276 VanDerWaalsContact C-N 3.34Å; E274-Q276 PolarHBondContact O-N 3.02Å; Q276-K279 WeakPolarHBondContact O-CB 3.41Å; Q276-K279 PolarHBondContact O-N 3.16Å; Q276-R280 PolarHBondContact O-N 2.69Å
277K94.4Very high93.1Very high28 Ų2874.8 Ų74.812%0.12234%0.343CS..Hα-helixtrans-58.5-48.5172.9-178.3-175.3-175.1173.90111.9E33 E273 E274 K279 R280 Y281E33-K277 IonicContact OE1-NZ 2.59Å; E33-K277 PolarHBondContact OE1-NZ 2.87Å; E33-K277 IonicContact OE2-NZ 2.63Å; E33-K277 PolarHBondContact OE2-NZ 3.42Å; E273-K277 WeakPolarHBondContact O-CB 3.29Å; E273-K277 PolarHBondContact O-N 3.45Å; E274-K277 WeakPolarHBondContact O-CB 3.32Å; E274-K277 PolarHBondContact O-N 3.37Å; E274-K277 IonicContact OE1-NZ 3.93Å; K277-K279 VanDerWaalsContact C-N 3.34Å; K277-K279 PolarHBondContact O-N 3.15Å; K277-R280 WeakPolarHBondContact O-CB 3.38Å; K277-R280 PolarHBondContact O-N 2.93Å; K277-R280 VanDerWaalsContact O-N 3.15Å; K277-Y281 HydrophobicContact CD-CE2 4.19Å; K277-Y281 WeakPolarHBondContact CE-OH 3.35Å; K277-Y281 HydrophobicContact CG-CD2 4.31Å; K277-Y281 HydrophobicContact CG-CE1 4.34Å; K277-Y281 HydrophobicContact CG-CE2 3.73Å; K277-Y281 PolarHBondContact O-N 3.49Å
278L91.1Very high92.6Very high37 Ų3775.4 Ų75.419%0.19434%0.344CS..Hα-helixtrans-61.9-38.9176.2-71.6175.2000112.6E274 N275 Y281 K282E274-L278 WeakPolarHBondContact O-CG 3.39Å; E274-L278 PolarHBondContact O-N 3.45Å; N275-L278 PolarHBondContact O-N 3.04Å; L278-Y281 HydrophobicContact CD2-CD2 4.46Å; L278-Y281 PolarHBondContact O-N 3.46Å; L278-K282 WeakPolarHBondContact O-CG 3.18Å; L278-K282 PolarHBondContact O-N 3.29Å; L278-K282 VanDerWaalsContact O-N 3.11Å
279K93.5Very high92Very high121 Ų12173.8 Ų73.853%0.52634%0.336SS..Hα-helixtrans-60.9-44.6173.6-74168.1-174.7167.80111.2N275 Q276 K277 K282 I283N275-K279 VanDerWaalsContact O-CG 3.32Å; N275-K279 WeakPolarHBondContact O-CG 3.18Å; N275-K279 PolarHBondContact O-N 3.13Å; Q276-K279 WeakPolarHBondContact O-CB 3.41Å; Q276-K279 PolarHBondContact O-N 3.16Å; K277-K279 VanDerWaalsContact C-N 3.34Å; K277-K279 PolarHBondContact O-N 3.15Å; K279-K282 PolarHBondContact O-N 3.38Å; K279-I283 WeakPolarHBondContact O-CG1 3.46Å; K279-I283 PolarHBondContact O-N 2.67Å; K279-I283 VanDerWaalsContact O-N 3.12Å
280R93.9Very high91.6Very high138 Ų13873.2 Ų73.252%0.52133%0.33SS..Hα-helixtrans-61.6-45.5177171.917133.3-166.5-10.5111.7Q276 K277 K282 I283 E284Q276-R280 PolarHBondContact O-N 2.69Å; K277-R280 WeakPolarHBondContact O-CB 3.38Å; K277-R280 PolarHBondContact O-N 2.93Å; K277-R280 VanDerWaalsContact O-N 3.15Å; R280-K282 VanDerWaalsContact C-N 3.31Å; R280-K282 PolarHBondContact O-N 3.28Å; R280-I283 PolarHBondContact O-N 2.95Å; R280-I283 VanDerWaalsContact O-N 3.11Å; R280-E284 HydrophobicContact CG-CG 4.39Å; R280-E284 WeakPolarHBondContact O-CG 3.35Å; R280-E284 PolarHBondContact O-N 3.22Å
281Y90.7Very high91.1Very high25 Ų2573.8 Ų73.810%0.09833%0.333CS..Hα-helixtrans-58.7-40.7176.1-67.5-21.3000112.9G16 K277 L278 I283 E284 N285G16-Y281 VanDerWaalsContact CA-CD2 3.47Å; K277-Y281 HydrophobicContact CD-CE2 4.19Å; K277-Y281 WeakPolarHBondContact CE-OH 3.35Å; K277-Y281 HydrophobicContact CG-CD2 4.31Å; K277-Y281 HydrophobicContact CG-CE1 4.34Å; K277-Y281 HydrophobicContact CG-CE2 3.73Å; K277-Y281 PolarHBondContact O-N 3.49Å; L278-Y281 HydrophobicContact CD2-CD2 4.46Å; L278-Y281 PolarHBondContact O-N 3.46Å; Y281-I283 PolarHBondContact O-N 2.78Å; Y281-E284 PolarHBondContact O-N 3.18Å; Y281-N285 WeakPolarHBondContact O-CB 3.41Å; Y281-N285 PolarHBondContact O-N 2.87Å
282K88.9Confident90.8Very high128 Ų12876.8 Ų76.856%0.55734%0.344SS*.Hα-helixtrans-60.9-45.5174.1-71.9-178.5-179.9-175.10112.1L278 K279 R280 N285 I286L278-K282 WeakPolarHBondContact O-CG 3.18Å; L278-K282 PolarHBondContact O-N 3.29Å; L278-K282 VanDerWaalsContact O-N 3.11Å; K279-K282 PolarHBondContact O-N 3.38Å; R280-K282 VanDerWaalsContact C-N 3.31Å; R280-K282 PolarHBondContact O-N 3.28Å; K282-N285 PolarHBondContact O-N 2.76Å; K282-I286 WeakPolarHBondContact O-CG1 3.19Å; K282-I286 PolarHBondContact O-N 2.84Å; K282-I286 VanDerWaalsContact O-N 3.08Å
283I92.6Very high90.4Very high86 Ų8675.4 Ų75.444%0.44134%0.339SS..Hα-helixtrans-63.4-45178.6-66166.5000110.8K279 R280 Y281 N285 I286 R287K279-I283 WeakPolarHBondContact O-CG1 3.46Å; K279-I283 PolarHBondContact O-N 2.67Å; K279-I283 VanDerWaalsContact O-N 3.12Å; R280-I283 PolarHBondContact O-N 2.95Å; R280-I283 VanDerWaalsContact O-N 3.11Å; Y281-I283 PolarHBondContact O-N 2.78Å; I283-N285 VanDerWaalsContact C-N 3.33Å; I283-N285 PolarHBondContact O-N 2.9Å; I283-I286 WeakPolarHBondContact O-CB 3.47Å; I283-I286 PolarHBondContact O-N 2.85Å; I283-R287 WeakPolarHBondContact O-CG 3.47Å; I283-R287 PolarHBondContact O-N 3.27Å
284E90.1Very high90.3Very high54 Ų5474.6 Ų74.625%0.25234%0.342SS..Hα-helixtrans-63.8-40178.1-71.1179.7-17900111.8R280 Y281 I286 R287 R288R280-E284 HydrophobicContact CG-CG 4.39Å; R280-E284 WeakPolarHBondContact O-CG 3.35Å; R280-E284 PolarHBondContact O-N 3.22Å; Y281-E284 PolarHBondContact O-N 3.18Å; E284-I286 VanDerWaalsContact C-N 3.32Å; E284-I286 PolarHBondContact O-N 3.11Å; E284-R287 CarbonylContact O-C 3.59Å; E284-R287 WeakPolarHBondContact O-CB 3.41Å; E284-R287 PolarHBondContact O-N 2.96Å; E284-R287 VanDerWaalsContact O-N 3.11Å; E284-R288 VanDerWaalsContact CB-NH1 3.32Å; E284-R288 WeakPolarHBondContact O-CG 3.43Å; E284-R288 PolarHBondContact O-N 3.25Å; E284-R288 IonicContact OE2-CZ 3.18Å; E284-R288 IonicContact OE2-NH1 3.31Å; E284-R288 IonicContact OE2-NH2 2.77Å; E284-R288 PolarHBondContact OE2-NH2 3.02Å
285N85.1Confident90.2Very high23 Ų2379.4 Ų79.412%0.12336%0.363CS..Hα-helixtrans-62.5-39.8176.1-163.231.3000112.1F143 Y281 K282 I283 R287 R288 K289F143-N285 WeakPolarHBondContact CD1-OD1 3.48Å; F143-N285 WeakPolarHBondContact CE1-ND2 3.38Å; Y281-N285 WeakPolarHBondContact O-CB 3.41Å; Y281-N285 PolarHBondContact O-N 2.87Å; K282-N285 PolarHBondContact O-N 2.76Å; I283-N285 VanDerWaalsContact C-N 3.33Å; I283-N285 PolarHBondContact O-N 2.9Å; N285-R287 VanDerWaalsContact C-N 3.32Å; N285-R287 PolarHBondContact O-N 2.9Å; N285-R288 PolarHBondContact O-N 2.72Å; N285-K289 WeakPolarHBondContact ND2-CE 3.49Å; N285-K289 WeakPolarHBondContact O-CG 3.47Å; N285-K289 PolarHBondContact O-N 3.01Å; N285-K289 WeakPolarHBondContact OD1-CE 3.49Å
286I88.1Confident90.1Very high119 Ų11980.9 Ų80.961%0.6137%0.37SS*.Hα-helixtrans-59.8-44.6172.9-66.9163.9000110.4K282 I283 E284 K289 H290K282-I286 WeakPolarHBondContact O-CG1 3.19Å; K282-I286 PolarHBondContact O-N 2.84Å; K282-I286 VanDerWaalsContact O-N 3.08Å; I283-I286 WeakPolarHBondContact O-CB 3.47Å; I283-I286 PolarHBondContact O-N 2.85Å; E284-I286 VanDerWaalsContact C-N 3.32Å; E284-I286 PolarHBondContact O-N 3.11Å; I286-K289 PolarHBondContact O-N 2.65Å; I286-H290 WeakPolarHBondContact O-CB 3.09Å; I286-H290 PolarHBondContact O-N 3.13Å; I286-H290 VanDerWaalsContact O-N 3.16Å
287R89.5Confident90Very high153 Ų15380.4 Ų80.458%0.57737%0.369SS*.Hα-helixtrans-63.3-45.2177-66.8172.6-176.7-1760.9111.6I283 E284 N285 K289 H290 Y292I283-R287 WeakPolarHBondContact O-CG 3.47Å; I283-R287 PolarHBondContact O-N 3.27Å; E284-R287 CarbonylContact O-C 3.59Å; E284-R287 WeakPolarHBondContact O-CB 3.41Å; E284-R287 PolarHBondContact O-N 2.96Å; E284-R287 VanDerWaalsContact O-N 3.11Å; N285-R287 VanDerWaalsContact C-N 3.32Å; N285-R287 PolarHBondContact O-N 2.9Å; R287-K289 VanDerWaalsContact C-N 3.29Å; R287-K289 PolarHBondContact O-N 2.74Å; R287-H290 PolarHBondContact O-N 2.63Å; R287-Y292 VanDerWaalsContact O-CE2 3.3Å; R287-Y292 WeakPolarHBondContact O-CE2 3.45Å; R287-Y292 PolarHBondContact O-OH 3.4Å
288R84.6Confident90Very high47 Ų4783.8 Ų83.818%0.17739%0.385CS..Hα-helixtrans-60.2-36.9179.8-72.1-179.9-169103.89.9112.5E12 D14 E284 N285E12-R288 IonicContact OE2-NE 3.96Å; D14-R288 VanDerWaalsContact CG-NH2 3.34Å; D14-R288 IonicContact OD1-CZ 3.64Å; D14-R288 IonicContact OD1-NH1 3.64Å; D14-R288 IonicContact OD1-NH2 3.8Å; D14-R288 IonicContact OD2-CZ 3.97Å; D14-R288 IonicContact OD2-NH2 3.84Å; D14-R288 PolarHBondContact OD2-NH2 2.76Å; E284-R288 VanDerWaalsContact CB-NH1 3.32Å; E284-R288 WeakPolarHBondContact O-CG 3.43Å; E284-R288 PolarHBondContact O-N 3.25Å; E284-R288 IonicContact OE2-CZ 3.18Å; E284-R288 IonicContact OE2-NH1 3.31Å; E284-R288 IonicContact OE2-NH2 2.77Å; E284-R288 PolarHBondContact OE2-NH2 3.02Å; N285-R288 PolarHBondContact O-N 2.72Å
289K82.6Confident90.2Very high75 Ų7585.9 Ų85.933%0.32640%0.396SS..THydrogen-bonded Turntrans-87.9-5179.6-62.6-175.8-163-164.90114.2S142 Q146 N285 I286 R287S142-K289 WeakPolarHBondContact O-CD 3.32Å; S142-K289 WeakPolarHBondContact O-CE 3.37Å; S142-K289 PolarHBondContact O-NZ 2.97Å; Q146-K289 PolarHBondContact OE1-O 3.46Å; N285-K289 WeakPolarHBondContact ND2-CE 3.49Å; N285-K289 WeakPolarHBondContact O-CG 3.47Å; N285-K289 PolarHBondContact O-N 3.01Å; N285-K289 WeakPolarHBondContact OD1-CE 3.49Å; I286-K289 PolarHBondContact O-N 2.65Å; R287-K289 VanDerWaalsContact C-N 3.29Å; R287-K289 PolarHBondContact O-N 2.74Å
290H87.9Confident90.2Very high99 Ų9983.8 Ų83.846%0.45839%0.39SS..  trans-78.5137.6-173.8-170.972.5000112.2I286 R287 Y292I286-H290 WeakPolarHBondContact O-CB 3.09Å; I286-H290 PolarHBondContact O-N 3.13Å; I286-H290 VanDerWaalsContact O-N 3.16Å; R287-H290 PolarHBondContact O-N 2.63Å; H290-Y292 HydrophobicContact CB-CE2 4.01Å; H290-Y292 AromaticContact CD2-CD1 3.92Å; H290-Y292 AromaticContact CD2-CE1 3.86Å; H290-Y292 VanDerWaalsContact O-CD2 3.25Å; H290-Y292 WeakPolarHBondContact O-CD2 3.43Å; H290-Y292 PolarHBondContact O-N 3.43Å
291N86.4Confident90.3Very high52 Ų5282.4 Ų82.428%0.27839%0.388SS..  trans-79.6102173.7-164.8-12.8000110.3Q146 L293 P294Q146-N291 VanDerWaalsContact CD-CB 3.49Å; Q146-N291 PolarHBondContact NE2-ND2 3.38Å; N291-L293 VanDerWaalsContact C-N 3.29Å; N291-L293 PolarHBondContact O-N 2.99Å; N291-L293 VanDerWaalsContact OD1-CB 3.24Å; N291-L293 WeakPolarHBondContact OD1-CB 3.31Å; N291-L293 PolarHBondContact OD1-N 3.38Å; N291-P294 WeakPolarHBondContact O-CD 3.25Å
292Y90.1Very high90.5Very high84 Ų8483.7 Ų83.733%0.32940%0.398SS..  trans-78.9-7.7176.9-67.9-82.4000114M148 R287 H290 F295 I296M148-Y292 HydrophobicContact CE-CD2 4.42Å; R287-Y292 VanDerWaalsContact O-CE2 3.3Å; R287-Y292 WeakPolarHBondContact O-CE2 3.45Å; R287-Y292 PolarHBondContact O-OH 3.4Å; H290-Y292 HydrophobicContact CB-CE2 4.01Å; H290-Y292 AromaticContact CD2-CD1 3.92Å; H290-Y292 AromaticContact CD2-CE1 3.86Å; H290-Y292 VanDerWaalsContact O-CD2 3.25Å; H290-Y292 WeakPolarHBondContact O-CD2 3.43Å; H290-Y292 PolarHBondContact O-N 3.43Å; Y292-F295 HydrophobicContact CD1-CD1 4.44Å; Y292-F295 WeakPolarHBondContact O-CB 3.34Å; Y292-F295 PolarHBondContact O-N 3.47Å; Y292-I296 VanDerWaalsContact O-CG1 3.26Å; Y292-I296 WeakPolarHBondContact O-CG1 3.25Å; Y292-I296 PolarHBondContact O-N 3.5Å
293L87.8Confident90.8Very high52 Ų5279.1 Ų79.127%0.27238%0.38SS..Hα-helixtrans-60.1-48.3-176.5-177.169.9000113F149 N291 F295 I296 M297F149-L293 HydrophobicContact CE1-CD1 4.3Å; F149-L293 HydrophobicContact CZ-CD1 4.17Å; N291-L293 VanDerWaalsContact C-N 3.29Å; N291-L293 PolarHBondContact O-N 2.99Å; N291-L293 VanDerWaalsContact OD1-CB 3.24Å; N291-L293 WeakPolarHBondContact OD1-CB 3.31Å; N291-L293 PolarHBondContact OD1-N 3.38Å; L293-F295 VanDerWaalsContact C-N 3.29Å; L293-F295 PolarHBondContact O-N 3.07Å; L293-I296 PolarHBondContact O-N 3.07Å; L293-M297 HydrophobicContact CD1-CG 4.32Å; L293-M297 HydrophobicContact CG-CG 4.43Å; L293-M297 WeakPolarHBondContact O-CB 3.33Å; L293-M297 VanDerWaalsContact O-CG 3.3Å; L293-M297 WeakPolarHBondContact O-CG 3.44Å; L293-M297 PolarHBondContact O-N 3.07Å
294P92Very high90.9Very high83 Ų8377.5 Ų77.554%0.53938%0.38SS..Hα-helixtrans-59.7-40.3176.3-23.635.6000112.5N291 M297 E298N291-P294 WeakPolarHBondContact O-CD 3.25Å; P294-M297 PolarHBondContact O-N 3.15Å; P294-E298 WeakPolarHBondContact O-CB 3.24Å; P294-E298 PolarHBondContact O-N 3.46Å
295F94.1Very high91.1Very high124 Ų12481.9 Ų81.954%0.54440%0.4SS..Hα-helixtrans-63.1-46177171.3-101.8000112.1Y292 L293 E298 L299Y292-F295 HydrophobicContact CD1-CD1 4.44Å; Y292-F295 WeakPolarHBondContact O-CB 3.34Å; Y292-F295 PolarHBondContact O-N 3.47Å; L293-F295 VanDerWaalsContact C-N 3.29Å; L293-F295 PolarHBondContact O-N 3.07Å; F295-E298 PolarHBondContact O-N 3.35Å; F295-L299 HydrophobicContact CE1-CD2 4.42Å; F295-L299 WeakPolarHBondContact O-CB 3.46Å; F295-L299 PolarHBondContact O-N 3.38Å
296I93.1Very high91.6Very high67 Ų6788.3 Ų88.334%0.34442%0.424SS..Hα-helixtrans-62.5-45.1177.8-68.1163.9000110.4Y292 L293 E298 L299 L300Y292-I296 VanDerWaalsContact O-CG1 3.26Å; Y292-I296 WeakPolarHBondContact O-CG1 3.25Å; Y292-I296 PolarHBondContact O-N 3.5Å; L293-I296 PolarHBondContact O-N 3.07Å; I296-E298 VanDerWaalsContact C-N 3.32Å; I296-E298 PolarHBondContact O-N 2.98Å; I296-L299 PolarHBondContact O-N 3.48Å; I296-L300 HydrophobicContact CG2-CD1 4.03Å; I296-L300 HydrophobicContact CG2-CG 4.4Å; I296-L300 VanDerWaalsContact O-CG 3.29Å; I296-L300 WeakPolarHBondContact O-CG 3.35Å; I296-L300 PolarHBondContact O-N 3.11Å
297M92.2Very high91.9Very high94 Ų9490.6 Ų90.646%0.46343%0.432SS..Hα-helixtrans-61.4-42.3179-71.8-57.1-62.700111.7L293 P294 L300 K301L293-M297 HydrophobicContact CD1-CG 4.32Å; L293-M297 HydrophobicContact CG-CG 4.43Å; L293-M297 WeakPolarHBondContact O-CB 3.33Å; L293-M297 VanDerWaalsContact O-CG 3.3Å; L293-M297 WeakPolarHBondContact O-CG 3.44Å; L293-M297 PolarHBondContact O-N 3.07Å; P294-M297 PolarHBondContact O-N 3.15Å; M297-L300 PolarHBondContact O-N 2.82Å; M297-K301 VanDerWaalsContact O-CG 3.31Å; M297-K301 WeakPolarHBondContact O-CG 3.42Å; M297-K301 PolarHBondContact O-N 2.98Å
298E95.5Very high92.2Very high99 Ų9988.4 Ų88.446%0.46343%0.428SS..Hα-helixtrans-68.7-43.2178-160.858.2-154.300111.9P294 F295 I296 L300 K301 T302P294-E298 WeakPolarHBondContact O-CB 3.24Å; P294-E298 PolarHBondContact O-N 3.46Å; F295-E298 PolarHBondContact O-N 3.35Å; I296-E298 VanDerWaalsContact C-N 3.32Å; I296-E298 PolarHBondContact O-N 2.98Å; E298-L300 VanDerWaalsContact C-N 3.3Å; E298-L300 PolarHBondContact O-N 2.81Å; E298-K301 PolarHBondContact O-N 3.49Å; E298-K301 IonicContact OE2-NZ 2.64Å; E298-T302 PolarHBondContact O-N 2.96Å; E298-T302 PolarHBondContact O-OG1 3.47Å
299L95.7Very high92.5Very high81 Ų8188.5 Ų88.542%0.42443%0.432SS..Hα-helixtrans-56.4-44.6174.6177.363.7000111.8F295 I296 T302 L303F295-L299 HydrophobicContact CE1-CD2 4.42Å; F295-L299 WeakPolarHBondContact O-CB 3.46Å; F295-L299 PolarHBondContact O-N 3.38Å; I296-L299 PolarHBondContact O-N 3.48Å; L299-T302 PolarHBondContact O-N 3.13Å; L299-L303 HydrophobicContact CD1-CD1 4.21Å; L299-L303 HydrophobicContact CD1-CG 4.33Å; L299-L303 HydrophobicContact CG-CD1 4.14Å; L299-L303 WeakPolarHBondContact O-CB 3.48Å; L299-L303 VanDerWaalsContact O-CG 3.27Å; L299-L303 WeakPolarHBondContact O-CG 3.49Å; L299-L303 PolarHBondContact O-N 3.24Å
300L93.9Very high93Very high77 Ų7790.5 Ų90.540%0.40345%0.445SS..Hα-helixtrans-65.7-40.9178.2-70.3175.4000112.3I296 M297 E298 L303 A304 L309I296-L300 HydrophobicContact CG2-CD1 4.03Å; I296-L300 HydrophobicContact CG2-CG 4.4Å; I296-L300 VanDerWaalsContact O-CG 3.29Å; I296-L300 WeakPolarHBondContact O-CG 3.35Å; I296-L300 PolarHBondContact O-N 3.11Å; M297-L300 PolarHBondContact O-N 2.82Å; E298-L300 VanDerWaalsContact C-N 3.3Å; E298-L300 PolarHBondContact O-N 2.81Å; L300-L303 PolarHBondContact O-N 2.77Å; L300-A304 WeakPolarHBondContact O-CB 3.12Å; L300-A304 PolarHBondContact O-N 2.82Å; L300-L309 HydrophobicContact CD2-CD1 3.92Å
301K94.4Very high93.3Very high109 Ų10989.2 Ų89.247%0.47445%0.446SS..Hα-helixtrans-61.8-49.7174.8-73.2172-174173.90111.3M297 E298 L303 A304 E305M297-K301 VanDerWaalsContact O-CG 3.31Å; M297-K301 WeakPolarHBondContact O-CG 3.42Å; M297-K301 PolarHBondContact O-N 2.98Å; E298-K301 PolarHBondContact O-N 3.49Å; E298-K301 IonicContact OE2-NZ 2.64Å; K301-L303 PolarHBondContact O-N 3.16Å; K301-A304 WeakPolarHBondContact O-CB 3.16Å; K301-A304 PolarHBondContact O-N 3.09Å; K301-A304 VanDerWaalsContact O-N 3.09Å; K301-E305 WeakPolarHBondContact O-CG 3.37Å; K301-E305 PolarHBondContact O-N 3.34Å
302T96.2Very high93.7Very high51 Ų5191 Ų9131%0.31345%0.454SS..Hα-helixtrans-57-48.3177.6-560000110.8E298 L299 A304 E305 Y306E298-T302 PolarHBondContact O-N 2.96Å; E298-T302 PolarHBondContact O-OG1 3.47Å; L299-T302 PolarHBondContact O-N 3.13Å; T302-A304 VanDerWaalsContact C-N 3.26Å; T302-A304 PolarHBondContact O-N 2.96Å; T302-E305 PolarHBondContact O-N 3.16Å; T302-Y306 HydrophobicContact CG2-CD2 3.71Å; T302-Y306 HydrophobicContact CG2-CE2 3.65Å; T302-Y306 WeakPolarHBondContact O-CD2 3.09Å; T302-Y306 PolarHBondContact O-N 3Å
303L94.9Very high93.8Very high33 Ų3390.1 Ų90.117%0.17346%0.458CS..Hα-helixtrans-61.6-33.7177.8-72.6172.4000113L299 L300 K301 Q307 Q308 L309 L312L299-L303 HydrophobicContact CD1-CD1 4.21Å; L299-L303 HydrophobicContact CD1-CG 4.33Å; L299-L303 HydrophobicContact CG-CD1 4.14Å; L299-L303 WeakPolarHBondContact O-CB 3.48Å; L299-L303 VanDerWaalsContact O-CG 3.27Å; L299-L303 WeakPolarHBondContact O-CG 3.49Å; L299-L303 PolarHBondContact O-N 3.24Å; L300-L303 PolarHBondContact O-N 2.77Å; K301-L303 PolarHBondContact O-N 3.16Å; L303-Q307 PolarHBondContact O-N 3.5Å; L303-Q308 HydrophobicContact CD2-CB 4.03Å; L303-Q308 PolarHBondContact O-N 2.69Å; L303-L309 HydrophobicContact CB-CB 4Å; L303-L309 HydrophobicContact CB-CD1 4.16Å; L303-L309 HydrophobicContact CD1-CD1 4.29Å; L303-L309 PolarHBondContact O-N 3.49Å; L303-L312 HydrophobicContact CD1-CD1 4.47Å; L303-L312 HydrophobicContact CD2-CD1 4.04Å
304A93.5Very high94.1Very high52 Ų5293 Ų9343%0.4347%0.47SS..Hα-helixtrans-70.8-43.7175.900000111.7L300 K301 T302 Y306 Q307 L309L300-A304 WeakPolarHBondContact O-CB 3.12Å; L300-A304 PolarHBondContact O-N 2.82Å; K301-A304 WeakPolarHBondContact O-CB 3.16Å; K301-A304 PolarHBondContact O-N 3.09Å; K301-A304 VanDerWaalsContact O-N 3.09Å; T302-A304 VanDerWaalsContact C-N 3.26Å; T302-A304 PolarHBondContact O-N 2.96Å; A304-Y306 VanDerWaalsContact C-N 3.34Å; A304-Y306 PolarHBondContact O-N 3.28Å; A304-Q307 PolarHBondContact O-N 3.42Å; A304-L309 HydrophobicContact CB-CD2 4.09Å
305E95.8Very high94.2Very high145 Ų14594.9 Ų94.968%0.67847%0.469SS*.Hα-helixtrans-59.5-42.8177.1-74.2177.1177.100112.2K301 T302 Q307K301-E305 WeakPolarHBondContact O-CG 3.37Å; K301-E305 PolarHBondContact O-N 3.34Å; T302-E305 PolarHBondContact O-N 3.16Å; E305-Q307 PolarHBondContact O-N 3.09Å
306Y96Very high94.1Very high159 Ų15991.7 Ų91.762%0.62447%0.466SS*.THydrogen-bonded Turntrans-80.66.6176.1-70.7-75.2000113.9T302 A304 Q308T302-Y306 HydrophobicContact CG2-CD2 3.71Å; T302-Y306 HydrophobicContact CG2-CE2 3.65Å; T302-Y306 WeakPolarHBondContact O-CD2 3.09Å; T302-Y306 PolarHBondContact O-N 3Å; A304-Y306 VanDerWaalsContact C-N 3.34Å; A304-Y306 PolarHBondContact O-N 3.28Å; Y306-Q308 PolarHBondContact O-N 3.15Å; Y306-Q308 VanDerWaalsContact O-N 3.08Å
307Q93.8Very high94.1Very high166 Ų16694.6 Ų94.678%0.77648%0.476SS*.THydrogen-bonded Turntrans56.522-178-55.7-179.9-1.200114.3L303 A304 E305 P311L303-Q307 PolarHBondContact O-N 3.5Å; A304-Q307 PolarHBondContact O-N 3.42Å; E305-Q307 PolarHBondContact O-N 3.09Å; Q307-P311 WeakPolarHBondContact O-CD 3.5Å
308Q94.9Very high94.2Very high107 Ų10796.7 Ų96.750%0.549%0.485SS..  trans-89.3-18.7179.7-66.9-173.9-17.900112.7L303 Y306 P311 L312L303-Q308 HydrophobicContact CD2-CB 4.03Å; L303-Q308 PolarHBondContact O-N 2.69Å; Y306-Q308 PolarHBondContact O-N 3.15Å; Y306-Q308 VanDerWaalsContact O-N 3.08Å; Q308-P311 WeakPolarHBondContact O-CD 3.29Å; Q308-L312 HydrophobicContact CB-CD1 4.46Å; Q308-L312 WeakPolarHBondContact O-CB 2.98Å; Q308-L312 WeakPolarHBondContact O-CD1 3.41Å; Q308-L312 VanDerWaalsContact O-CG 3.23Å; Q308-L312 WeakPolarHBondContact O-CG 3.41Å; Q308-L312 PolarHBondContact O-N 3.23Å
309L91.9Very high94.1Very high49 Ų4998.8 Ų98.826%0.25749%0.493SS..Hα-helixtrans-63.7-50.4-174.5-172.862.2000113L300 L303 A304 L312 V313L300-L309 HydrophobicContact CD2-CD1 3.92Å; L303-L309 HydrophobicContact CB-CB 4Å; L303-L309 HydrophobicContact CB-CD1 4.16Å; L303-L309 HydrophobicContact CD1-CD1 4.29Å; L303-L309 PolarHBondContact O-N 3.49Å; A304-L309 HydrophobicContact CB-CD2 4.09Å; L309-L312 PolarHBondContact O-N 3.47Å; L309-V313 HydrophobicContact CD1-CG2 4.39Å; L309-V313 WeakPolarHBondContact O-CG2 3.41Å; L309-V313 PolarHBondContact O-N 2.95Å
310I93.3Very high93.9Very high117 Ų117100.4 Ų100.460%0.650%0.498SS*.Hα-helixtrans-61.3-50.5-177.3-63.6172.2000111.5L312 V313 E314I310-L312 VanDerWaalsContact C-N 3.28Å; I310-L312 PolarHBondContact O-N 2.96Å; I310-V313 PolarHBondContact O-N 3.37Å; I310-V313 VanDerWaalsContact O-N 3.14Å; I310-E314 HydrophobicContact CG2-CG 4.47Å; I310-E314 PolarHBondContact O-N 2.7Å
311P94.5Very high93.6Very high73 Ų73100.5 Ų100.547%0.47451%0.505SS..Hα-helixtrans-56.8-39176.6-26.133.3000113.8Q307 Q308 K315Q307-P311 WeakPolarHBondContact O-CD 3.5Å; Q308-P311 WeakPolarHBondContact O-CD 3.29Å; P311-K315 WeakPolarHBondContact O-CB 3.42Å; P311-K315 PolarHBondContact O-N 3.35Å
312L94.1Very high93.3Very high88 Ų8898.1 Ų98.146%0.46151%0.506SS..Hα-helixtrans-68.1-39.3178.6-72.6172.1000112.1L303 Q308 L309 I310 A316L303-L312 HydrophobicContact CD1-CD1 4.47Å; L303-L312 HydrophobicContact CD2-CD1 4.04Å; Q308-L312 HydrophobicContact CB-CD1 4.46Å; Q308-L312 WeakPolarHBondContact O-CB 2.98Å; Q308-L312 WeakPolarHBondContact O-CD1 3.41Å; Q308-L312 VanDerWaalsContact O-CG 3.23Å; Q308-L312 WeakPolarHBondContact O-CG 3.41Å; Q308-L312 PolarHBondContact O-N 3.23Å; L309-L312 PolarHBondContact O-N 3.47Å; I310-L312 VanDerWaalsContact C-N 3.28Å; I310-L312 PolarHBondContact O-N 2.96Å; L312-A316 WeakPolarHBondContact O-CB 3.4Å; L312-A316 PolarHBondContact O-N 3.15Å
313V92.9Very high92.8Very high67 Ų67101.8 Ų101.841%0.40652%0.517SS..Hα-helixtrans-65.7-42.9176.4170.50000111.1L309 I310 A316 K317L309-V313 HydrophobicContact CD1-CG2 4.39Å; L309-V313 WeakPolarHBondContact O-CG2 3.41Å; L309-V313 PolarHBondContact O-N 2.95Å; I310-V313 PolarHBondContact O-N 3.37Å; I310-V313 VanDerWaalsContact O-N 3.14Å; V313-A316 PolarHBondContact O-N 3.39Å; V313-K317 WeakPolarHBondContact O-CG 3.36Å; V313-K317 PolarHBondContact O-N 3.29Å
314E92.9Very high92.3Very high111 Ų111106.5 Ų106.552%0.51954%0.536SS..Hα-helixtrans-62.7-47.9176.6-71.8177.9168.700111.5I310 A316 K317 E318I310-E314 HydrophobicContact CG2-CG 4.47Å; I310-E314 PolarHBondContact O-N 2.7Å; E314-A316 PolarHBondContact O-N 3.49Å; E314-K317 WeakPolarHBondContact O-CB 3.23Å; E314-K317 PolarHBondContact O-N 2.88Å; E314-E318 PolarHBondContact O-N 2.97Å
315K94.4Very high91.8Very high123 Ų123107 Ų10754%0.53554%0.54SS..Hα-helixtrans-57.5-37.2175-173.5177.2-175.11750112.6P311 K319P311-K315 WeakPolarHBondContact O-CB 3.42Å; P311-K315 PolarHBondContact O-N 3.35Å; K315-K319 WeakPolarHBondContact O-CG 3.41Å; K315-K319 PolarHBondContact O-N 3.15Å
316A93.1Very high90.8Very high58 Ų58107.3 Ų107.348%0.47954%0.542SS..Hα-helixtrans-68.5-40.9175.500000112L312 V313 E314 K319 Q320L312-A316 WeakPolarHBondContact O-CB 3.4Å; L312-A316 PolarHBondContact O-N 3.15Å; V313-A316 PolarHBondContact O-N 3.39Å; E314-A316 PolarHBondContact O-N 3.49Å; A316-K319 PolarHBondContact O-N 3.15Å; A316-Q320 PolarHBondContact O-N 3.06Å
317K93.2Very high89.9Confident127 Ų127106 Ų10655%0.55254%0.542SS*.Hα-helixtrans-62.1-43175-75.8179.5178.7177.90112.1V313 E314 Q320 S321V313-K317 WeakPolarHBondContact O-CG 3.36Å; V313-K317 PolarHBondContact O-N 3.29Å; E314-K317 WeakPolarHBondContact O-CB 3.23Å; E314-K317 PolarHBondContact O-N 2.88Å; K317-Q320 PolarHBondContact O-N 3Å; K317-S321 PolarHBondContact O-N 2.77Å; K317-S321 PolarHBondContact O-OG 3.11Å
318E93.8Very high88.8Confident139 Ų139102.3 Ų102.365%0.6554%0.539SS*.Hα-helixtrans-59.9-47.2177.1-72.3178.516800111.7E314 Q320 S321 A322E314-E318 PolarHBondContact O-N 2.97Å; E318-Q320 VanDerWaalsContact C-N 3.31Å; E318-Q320 PolarHBondContact O-N 3.28Å; E318-S321 PolarHBondContact O-N 3.4Å; E318-A322 WeakPolarHBondContact O-CB 3.4Å; E318-A322 PolarHBondContact O-N 3.37Å
319K92.6Very high86.9Confident142 Ų142108.7 Ų108.762%0.61757%0.565SS**Hα-helixtrans-59.1-42175.4-75-177.7176.3-171.50112.2K315 A316 A322 K323K315-K319 WeakPolarHBondContact O-CG 3.41Å; K315-K319 PolarHBondContact O-N 3.15Å; A316-K319 PolarHBondContact O-N 3.15Å; K319-A322 PolarHBondContact O-N 3.37Å; K319-K323 WeakPolarHBondContact O-CB 3.45Å; K319-K323 PolarHBondContact O-N 2.92Å
320Q91.3Very high86.6Confident115 Ų115111.7 Ų111.754%0.53758%0.581SS.*Hα-helixtrans-63.9-43.7178.4-171.3-178.323.700111.5A316 K317 E318 K323 K324A316-Q320 PolarHBondContact O-N 3.06Å; K317-Q320 PolarHBondContact O-N 3Å; E318-Q320 VanDerWaalsContact C-N 3.31Å; E318-Q320 PolarHBondContact O-N 3.28Å; Q320-K323 PolarHBondContact O-N 2.83Å; Q320-K324 PolarHBondContact O-N 2.75Å
321S88.2Confident86.3Confident79 Ų79111.4 Ų111.455%0.55258%0.58SS**Hα-helixtrans-63.3-42.3176.6-63.30000112K317 E318 K324 A325K317-S321 PolarHBondContact O-N 2.77Å; K317-S321 PolarHBondContact O-OG 3.11Å; E318-S321 PolarHBondContact O-N 3.4Å; S321-K324 PolarHBondContact O-N 3.31Å; S321-A325 PolarHBondContact O-N 2.88Å
322A88Confident85.8Confident59 Ų59113.5 Ų113.549%0.48859%0.585SS.*Hα-helixtrans-62-42.917600000112.2E318 K319 A325 Q326E318-A322 WeakPolarHBondContact O-CB 3.4Å; E318-A322 PolarHBondContact O-N 3.37Å; K319-A322 PolarHBondContact O-N 3.37Å; A322-A325 PolarHBondContact O-N 3.26Å; A322-Q326 PolarHBondContact O-N 3.04Å; A322-Q326 VanDerWaalsContact O-N 3.12Å
323K86.6Confident85.4Confident129 Ų129115 Ų11556%0.56159%0.593SS**Hα-helixtrans-62.3-45.5176.9-171.3176.7175.7-177.30111.9K319 Q320 A325 Q326 E327K319-K323 WeakPolarHBondContact O-CB 3.45Å; K319-K323 PolarHBondContact O-N 2.92Å; Q320-K323 PolarHBondContact O-N 2.83Å; K323-A325 VanDerWaalsContact C-N 3.32Å; K323-A325 PolarHBondContact O-N 2.63Å; K323-Q326 WeakPolarHBondContact O-CB 3.27Å; K323-Q326 PolarHBondContact O-N 2.7Å; K323-Q326 VanDerWaalsContact O-N 3.12Å; K323-E327 WeakPolarHBondContact CE-OE1 3.42Å; K323-E327 IonicContact NZ-OE1 3.94Å; K323-E327 PolarHBondContact O-N 3.36Å
324K84.3Confident84.9Confident131 Ų131118 Ų11857%0.5760%0.604SS**Hα-helixtrans-61.3-38.3176.1-76-175.2175.6-175.80113Q320 S321 Q326 E327 A328Q320-K324 PolarHBondContact O-N 2.75Å; S321-K324 PolarHBondContact O-N 3.31Å; K324-Q326 VanDerWaalsContact C-N 3.27Å; K324-Q326 PolarHBondContact O-N 2.77Å; K324-E327 PolarHBondContact O-N 2.9Å; K324-A328 WeakPolarHBondContact O-CB 3.39Å; K324-A328 PolarHBondContact O-N 3.08Å
325A81.4Confident84.4Confident62 Ų62118.5 Ų118.551%0.51261%0.61SS.*Hα-helixtrans-69.1-26.7176.900000112.9S321 A322 K323S321-A325 PolarHBondContact O-N 2.88Å; A322-A325 PolarHBondContact O-N 3.26Å; K323-A325 VanDerWaalsContact C-N 3.32Å; K323-A325 PolarHBondContact O-N 2.63Å
326Q76.4Confident83.6Confident152 Ų152118.1 Ų118.171%0.7162%0.616SS**Hα-helixtrans-77.2-39.6174.2-114.6176.4-11.400112.5A322 K323 K324 A328A322-Q326 PolarHBondContact O-N 3.04Å; A322-Q326 VanDerWaalsContact O-N 3.12Å; K323-Q326 WeakPolarHBondContact O-CB 3.27Å; K323-Q326 PolarHBondContact O-N 2.7Å; K323-Q326 VanDerWaalsContact O-N 3.12Å; K324-Q326 VanDerWaalsContact C-N 3.27Å; K324-Q326 PolarHBondContact O-N 2.77Å; Q326-A328 VanDerWaalsContact C-N 3.28Å; Q326-A328 PolarHBondContact O-N 2.84Å
327E77.3Confident82.9Confident133 Ų133122.8 Ų122.862%0.62163%0.626SS**Hα-helixtrans-73.1-18.9177.9-70.7170.4174.400113.1K323 K324K323-E327 WeakPolarHBondContact CE-OE1 3.42Å; K323-E327 IonicContact NZ-OE1 3.94Å; K323-E327 PolarHBondContact O-N 3.36Å; K324-E327 PolarHBondContact O-N 2.9Å
328A70.4Confident82Confident87 Ų87122.4 Ų122.472%0.71963%0.632SS**THydrogen-bonded Turntrans-90-1.9178.300000114.3K324 Q326K324-A328 WeakPolarHBondContact O-CB 3.39Å; K324-A328 PolarHBondContact O-N 3.08Å; Q326-A328 VanDerWaalsContact C-N 3.28Å; Q326-A328 PolarHBondContact O-N 2.84Å
329K54.3Low81Confident241 Ų241120.9 Ų120.9100%1.04863%0.631SS**  trans-101.90174.8-85.5-173.1174.8-177.40110.6

Retrieved 329 of 329 residues in 297.8 ms (Link to these results)

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