A0A5K4F5R0_SCHMA Loading...

Rab-GAP TBC domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F5R0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,006 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
1M77.7Confident79.7Confident86 Ų8650.9 Ų50.942%0.42425%0.245SC..  0133.10-175175.572.600106.9L3 L8 C9 F10 I50 I61M1-L3 HydrophobicContact CE-CD1 3.96Å; M1-L3 HydrophobicContact CE-CD2 3.91Å; M1-L3 HydrophobicContact CE-CG 4.04Å; M1-L3 HydrophobicContact CG-CD2 3.87Å; M1-L3 HydrophobicContact CG-CG 4.44Å; M1-L3 HydrophobicContact SD-CD2 3.92Å; M1-L8 HydrophobicContact CG-CD1 3.86Å; M1-L8 HydrophobicContact SD-CD1 3.82Å; M1-C9 CarbonylContact C-O 3.39Å; M1-C9 WeakPolarHBondContact CA-O 3.36Å; M1-F10 HydrophobicContact CB-CD2 4.15Å; M1-I50 HydrophobicContact CE-CD1 4.33Å; M1-I61 HydrophobicContact CE-CD1 4.07Å; M1-I61 HydrophobicContact SD-CD1 4.07Å
2I78.3Confident78.9Confident88 Ų8850.1 Ų50.145%0.45125%0.247SC..EExtended strand (participates in β ladder)trans-121.3121.9177.2-59.1172.9000105.7T4 C9 Y11I2-T4 HydrophobicContact CG2-CG2 4.32Å; I2-C9 HydrophobicContact CB-CB 4.13Å; I2-C9 PolarHBondContact N-O 2.84Å; I2-C9 WeakPolarHBondContact O-CA 3.47Å; I2-C9 PolarHBondContact O-N 3.45Å; I2-C9 VanDerWaalsContact O-O 3.09Å; I2-Y11 HydrophobicContact CD1-CD2 3.9Å; I2-Y11 HydrophobicContact CD1-CE2 3.99Å
3L78.2Confident77.6Confident34 Ų3459.2 Ų59.218%0.17830%0.297CS..EExtended strand (participates in β ladder)trans-104.5125.5177.3-55.1-179.4000107.6M1 L8 W23 M60 I61 L64M1-L3 HydrophobicContact CE-CD1 3.96Å; M1-L3 HydrophobicContact CE-CD2 3.91Å; M1-L3 HydrophobicContact CE-CG 4.04Å; M1-L3 HydrophobicContact CG-CD2 3.87Å; M1-L3 HydrophobicContact CG-CG 4.44Å; M1-L3 HydrophobicContact SD-CD2 3.92Å; L3-L8 HydrophobicContact CD2-CD1 3.32Å; L3-W23 HydrophobicContact CD2-CH2 3.93Å; L3-W23 HydrophobicContact CD2-CZ2 3.82Å; L3-M60 HydrophobicContact CD1-CB 4.42Å; L3-I61 HydrophobicContact CD1-CG1 4.4Å; L3-I61 HydrophobicContact CD2-CG1 4.47Å; L3-L64 HydrophobicContact CB-CD1 3.77Å; L3-L64 HydrophobicContact CD1-CD1 4.05Å; L3-L64 HydrophobicContact CG-CD1 4.4Å
4T74.9Confident76.1Confident53 Ų5363.2 Ų63.233%0.32533%0.326SS..  trans-116.4174.7170.768.20000109.1I2 N6 Y7 W23I2-T4 HydrophobicContact CG2-CG2 4.32Å; T4-N6 PolarHBondContact O-N 3.21Å; T4-N6 PolarHBondContact OG1-N 2.98Å; T4-Y7 PolarHBondContact N-O 3.48Å; T4-Y7 WeakPolarHBondContact OG1-CA 2.96Å; T4-Y7 WeakPolarHBondContact OG1-CB 3.38Å; T4-Y7 PolarHBondContact OG1-N 3.26Å; T4-Y7 PolarHBondContact OG1-O 3.11Å; T4-W23 PolarHBondContact O-NE1 3.3Å
5L71Confident74.8Confident39 Ų3975.1 Ų75.120%0.20437%0.368CS..SBendtrans-58.5-32.3175-92170.6000113.7Y67 L92L5-Y67 HydrophobicContact CD2-CD1 4.19Å; L5-Y67 HydrophobicContact CD2-CE1 3.7Å; L5-L92 HydrophobicContact CD1-CB 4.04Å; L5-L92 HydrophobicContact CD1-CD1 4.16Å; L5-L92 HydrophobicContact CD2-CD1 3.39Å; L5-L92 HydrophobicContact CG-CB 4.43Å; L5-L92 HydrophobicContact CG-CD1 3.96Å
6N76.5Confident74Confident16 Ų1673.7 Ų73.79%0.08638%0.378CS..SBendtrans-110.4-27.5-173.7-72.9-7.3000113.6T4 P22 W23 L656 Y659T4-N6 PolarHBondContact O-N 3.21Å; T4-N6 PolarHBondContact OG1-N 2.98Å; N6-P22 CarbonylContact O-C 3.49Å; N6-P22 VanDerWaalsContact O-CA 3.24Å; N6-P22 WeakPolarHBondContact O-CA 3.42Å; N6-W23 VanDerWaalsContact O-CD1 3.27Å; N6-W23 PolarHBondContact O-N 2.94Å; N6-L656 HydrophobicContact CB-CD2 4.1Å; N6-Y659 VanDerWaalsContact ND2-CB 3.27Å; N6-Y659 WeakPolarHBondContact ND2-CB 3.13Å; N6-Y659 VanDerWaalsContact OD1-CD2 3.3Å; N6-Y659 WeakPolarHBondContact OD1-CD2 3.1Å
7Y84.5Confident73.7Confident43 Ų4376.5 Ų76.517%0.16940%0.4CS..EExtended strand (participates in β ladder)trans-130.8138.4-169.4-55.3-90.9000112.7T4 C20 T21 P22 Y1004T4-Y7 PolarHBondContact N-O 3.48Å; T4-Y7 WeakPolarHBondContact OG1-CA 2.96Å; T4-Y7 WeakPolarHBondContact OG1-CB 3.38Å; T4-Y7 PolarHBondContact OG1-N 3.26Å; T4-Y7 PolarHBondContact OG1-O 3.11Å; Y7-C20 VanDerWaalsContact CD1-SG 3.57Å; Y7-T21 WeakPolarHBondContact CA-O 3.5Å; Y7-P22 HydrophobicContact CD1-CB 4.25Å; Y7-P22 HydrophobicContact CD1-CG 4.03Å; Y7-P22 HydrophobicContact CE1-CB 4.26Å; Y7-P22 HydrophobicContact CE1-CG 3.85Å; Y7-Y1004 HydrophobicContact CE1-CD1 4.33Å
8L87.4Confident74Confident0 Ų076.7 Ų76.70%040%0.397CS..EExtended strand (participates in β ladder)trans-85.4110.3155.9173.362.3000108.2M1 L3 T21 W23 V39 F48M1-L8 HydrophobicContact CG-CD1 3.86Å; M1-L8 HydrophobicContact SD-CD1 3.82Å; L3-L8 HydrophobicContact CD2-CD1 3.32Å; L8-T21 PolarHBondContact N-O 2.72Å; L8-T21 PolarHBondContact O-N 3.4Å; L8-W23 HydrophobicContact CB-CE3 4.43Å; L8-W23 HydrophobicContact CB-CH2 3.74Å; L8-W23 HydrophobicContact CB-CZ2 3.88Å; L8-W23 HydrophobicContact CB-CZ3 4.03Å; L8-W23 HydrophobicContact CD1-CH2 4.04Å; L8-W23 HydrophobicContact CD1-CZ2 4.49Å; L8-W23 HydrophobicContact CD2-CH2 4.46Å; L8-W23 HydrophobicContact CD2-CZ3 4.44Å; L8-W23 HydrophobicContact CG-CH2 4.29Å; L8-V39 HydrophobicContact CD2-CB 4.27Å; L8-V39 HydrophobicContact CD2-CG1 3.91Å; L8-V39 HydrophobicContact CD2-CG2 4.16Å; L8-F48 HydrophobicContact CD2-CE2 4.05Å; L8-F48 HydrophobicContact CD2-CZ 4.03Å
9C85.3Confident74.3Confident15 Ų1574.6 Ų74.610%0.10139%0.386CS..EExtended strand (participates in β ladder)trans-110.8141.6177.5-58.30000111.2M1 I2 I19 C20M1-C9 CarbonylContact C-O 3.39Å; M1-C9 WeakPolarHBondContact CA-O 3.36Å; I2-C9 HydrophobicContact CB-CB 4.13Å; I2-C9 PolarHBondContact N-O 2.84Å; I2-C9 WeakPolarHBondContact O-CA 3.47Å; I2-C9 PolarHBondContact O-N 3.45Å; I2-C9 VanDerWaalsContact O-O 3.09Å; C9-I19 CarbonylContact C-O 3.45Å; C9-I19 VanDerWaalsContact CA-O 3.24Å; C9-I19 WeakPolarHBondContact CA-O 3.46Å; C9-C20 VanDerWaalsContact SG-SG 3.61Å
10F84.4Confident74.8Confident64 Ų6472.2 Ų72.228%0.28138%0.375SS..EExtended strand (participates in β ladder)trans-139.8126.5173.6179.8-94000111.1M1 P12 I19 F48M1-F10 HydrophobicContact CB-CD2 4.15Å; F10-P12 HydrophobicContact CE1-CB 3.87Å; F10-P12 HydrophobicContact CE1-CG 4.47Å; F10-I19 HydrophobicContact CB-CB 4.18Å; F10-I19 HydrophobicContact CB-CD1 4.48Å; F10-I19 HydrophobicContact CD1-CD1 4.13Å; F10-I19 PolarHBondContact N-O 3.49Å; F10-I19 PolarHBondContact O-N 3.34Å; F10-F48 HydrophobicContact CB-CE1 4.22Å; F10-F48 HydrophobicContact CD2-CD1 4.43Å; F10-F48 HydrophobicContact CD2-CE1 4.14Å; F10-F48 HydrophobicContact CG-CE1 4.16Å
11Y77.9Confident75.4Confident122 Ų12269 Ų6948%0.47836%0.359SS..  trans-104.5113.5171.7-74.8-90.2000108.8I2 K18I2-Y11 HydrophobicContact CD1-CD2 3.9Å; I2-Y11 HydrophobicContact CD1-CE2 3.99Å; Y11-K18 HydrophobicContact CD1-CG 4.34Å; Y11-K18 HydrophobicContact CE1-CB 4.36Å; Y11-K18 HydrophobicContact CE1-CD 3.83Å; Y11-K18 HydrophobicContact CE1-CG 3.87Å; Y11-K18 HydrophobicContact CE2-CG 4.41Å; Y11-K18 WeakPolarHBondContact OH-CD 3.47Å; Y11-K18 WeakPolarHBondContact OH-CE 3.46Å
12P71.2Confident76Confident41 Ų4165 Ų6527%0.26634%0.34SS..  trans-71.2133.9171.324.1-26.9000110.6F10 V14 G16F10-P12 HydrophobicContact CE1-CB 3.87Å; F10-P12 HydrophobicContact CE1-CG 4.47Å; P12-V14 VanDerWaalsContact C-N 3.27Å; P12-V14 PolarHBondContact O-N 2.92Å; P12-G16 VanDerWaalsContact CG-C 3.42Å; P12-G16 VanDerWaalsContact CG-CA 3.45Å; P12-G16 WeakPolarHBondContact CG-O 3.4Å
13N61.7Low76.5Confident168 Ų16860.9 Ų60.990%0.89832%0.319SS*.SBendtrans-71.7-15.4179.7-83.5-5.8000114.1
14V56.9Low77.1Confident116 Ų11659.4 Ų59.470%0.70331%0.311SS*.SBendtrans-142.8120.9-178.2-171.80000108.1P12 G16P12-V14 VanDerWaalsContact C-N 3.27Å; P12-V14 PolarHBondContact O-N 2.92Å; V14-G16 PolarHBondContact O-N 3.42Å
15Y56.7Low77.9Confident242 Ų24258.8 Ų58.895%0.94930%0.304SS*.SBendtrans23.389.3178.9-66.6-79.5000115.5
16G61.8Low78.8Confident52 Ų5257 Ų5754%0.53629%0.294SS..  trans-160.4159.8170.400000112.1P12 V14P12-G16 VanDerWaalsContact CG-C 3.42Å; P12-G16 VanDerWaalsContact CG-CA 3.45Å; P12-G16 WeakPolarHBondContact CG-O 3.4Å; V14-G16 PolarHBondContact O-N 3.42Å
17T69.2Low79.4Confident121 Ų12157.2 Ų57.274%0.74230%0.296SS*.PPolyproline II helixtrans-71.1136.1175.940.50000110.3I19T17-I19 PolarHBondContact O-N 2.71Å
18K78Confident79.5Confident81 Ų8156.2 Ų56.235%0.35230%0.296SS..PPolyproline II helixtrans-55.4125.1168.1177.2-172.2170.6-167.30107.3Y11Y11-K18 HydrophobicContact CD1-CG 4.34Å; Y11-K18 HydrophobicContact CE1-CB 4.36Å; Y11-K18 HydrophobicContact CE1-CD 3.83Å; Y11-K18 HydrophobicContact CE1-CG 3.87Å; Y11-K18 HydrophobicContact CE2-CG 4.41Å; Y11-K18 WeakPolarHBondContact OH-CD 3.47Å; Y11-K18 WeakPolarHBondContact OH-CE 3.46Å
19I79.7Confident79.4Confident36 Ų3656.3 Ų56.319%0.18530%0.296CS..EExtended strand (participates in β ladder)trans-95125.4171.7-57.8169.7000106.3C9 F10 T17 Y46C9-I19 CarbonylContact C-O 3.45Å; C9-I19 VanDerWaalsContact CA-O 3.24Å; C9-I19 WeakPolarHBondContact CA-O 3.46Å; F10-I19 HydrophobicContact CB-CB 4.18Å; F10-I19 HydrophobicContact CB-CD1 4.48Å; F10-I19 HydrophobicContact CD1-CD1 4.13Å; F10-I19 PolarHBondContact N-O 3.49Å; F10-I19 PolarHBondContact O-N 3.34Å; T17-I19 PolarHBondContact O-N 2.71Å; I19-Y46 HydrophobicContact CD1-CD1 3.89Å; I19-Y46 HydrophobicContact CD1-CE1 4.17Å; I19-Y46 HydrophobicContact CG1-CE1 4.4Å; I19-Y46 HydrophobicContact CG2-CD1 4.04Å; I19-Y46 HydrophobicContact CG2-CE1 3.68Å
20C85.4Confident79.2Confident26 Ų2659.1 Ų59.118%0.17631%0.307CS..EExtended strand (participates in β ladder)trans-133.8109.7171.4-169.30000106.9Y7 C9 Y1004Y7-C20 VanDerWaalsContact CD1-SG 3.57Å; C9-C20 VanDerWaalsContact SG-SG 3.61Å; C20-Y1004 WeakPolarHBondContact CB-O 3.4Å; C20-Y1004 PolarHBondContact SG-O 3.11Å; C20-Y1004 VanDerWaalsContact SG-O 3.36Å
21T87.7Confident78.9Confident6 Ų661 Ų614%0.03732%0.317CS..EExtended strand (participates in β ladder)trans-124.8119.1-175.9-57.30000109.2Y7 L8 I26 T41 Y46Y7-T21 WeakPolarHBondContact CA-O 3.5Å; L8-T21 PolarHBondContact N-O 2.72Å; L8-T21 PolarHBondContact O-N 3.4Å; T21-I26 HydrophobicContact CG2-CD1 3.66Å; T21-T41 HydrophobicContact CG2-CG2 3.47Å; T21-T41 VanDerWaalsContact CG2-CG2 3.47Å; T21-Y46 HydrophobicContact CG2-CE2 4.2Å; T21-Y46 WeakPolarHBondContact OG1-CE2 3.24Å; T21-Y46 PolarHBondContact OG1-OH 3.1Å
22P88.8Confident78.6Confident3 Ų357.4 Ų57.42%0.01931%0.31CS..EExtended strand (participates in β ladder)trans-61.3141.1173.2-18.228000111.6N6 Y7 I24 H25 L656 Y1004N6-P22 CarbonylContact O-C 3.49Å; N6-P22 VanDerWaalsContact O-CA 3.24Å; N6-P22 WeakPolarHBondContact O-CA 3.42Å; Y7-P22 HydrophobicContact CD1-CB 4.25Å; Y7-P22 HydrophobicContact CD1-CG 4.03Å; Y7-P22 HydrophobicContact CE1-CB 4.26Å; Y7-P22 HydrophobicContact CE1-CG 3.85Å; P22-I24 HydrophobicContact CB-CD1 4.38Å; P22-I24 HydrophobicContact CB-CG1 3.55Å; P22-I24 PolarHBondContact O-N 2.74Å; P22-H25 PolarHBondContact O-N 2.83Å; P22-L656 HydrophobicContact CB-CD1 4.44Å; P22-L656 HydrophobicContact CB-CD2 4.35Å; P22-L656 HydrophobicContact CG-CD1 4.38Å; P22-Y1004 HydrophobicContact CG-CD1 3.4Å; P22-Y1004 HydrophobicContact CG-CE1 3.29Å; P22-Y1004 HydrophobicContact CG-CG 4.3Å
23W89.9Confident78.7Confident1 Ų167.8 Ų67.80%0.00434%0.343CS..G310 helixtrans-61-31.4175-65.3120.3000112.4L3 T4 N6 L8 H25 I26 I61 L64 A65L3-W23 HydrophobicContact CD2-CH2 3.93Å; L3-W23 HydrophobicContact CD2-CZ2 3.82Å; T4-W23 PolarHBondContact O-NE1 3.3Å; N6-W23 VanDerWaalsContact O-CD1 3.27Å; N6-W23 PolarHBondContact O-N 2.94Å; L8-W23 HydrophobicContact CB-CE3 4.43Å; L8-W23 HydrophobicContact CB-CH2 3.74Å; L8-W23 HydrophobicContact CB-CZ2 3.88Å; L8-W23 HydrophobicContact CB-CZ3 4.03Å; L8-W23 HydrophobicContact CD1-CH2 4.04Å; L8-W23 HydrophobicContact CD1-CZ2 4.49Å; L8-W23 HydrophobicContact CD2-CH2 4.46Å; L8-W23 HydrophobicContact CD2-CZ3 4.44Å; L8-W23 HydrophobicContact CG-CH2 4.29Å; W23-H25 PolarHBondContact O-N 3.33Å; W23-I26 HydrophobicContact CE3-CG1 3.85Å; W23-I26 HydrophobicContact CZ3-CG1 4.42Å; W23-I26 WeakPolarHBondContact O-CB 3.47Å; W23-I26 PolarHBondContact O-N 2.78Å; W23-I26 VanDerWaalsContact O-N 3.08Å; W23-I61 HydrophobicContact CH2-CG1 4.38Å; W23-I61 HydrophobicContact CH2-CG2 4.21Å; W23-I61 HydrophobicContact CZ3-CG2 4.01Å; W23-L64 HydrophobicContact CD2-CB 3.98Å; W23-L64 HydrophobicContact CE3-CB 4.38Å; W23-L64 HydrophobicContact CH2-CB 4.04Å; W23-L64 HydrophobicContact CH2-CD1 4.42Å; W23-L64 HydrophobicContact CZ2-CB 3.61Å; W23-L64 HydrophobicContact CZ2-CD1 3.68Å; W23-L64 HydrophobicContact CZ2-CG 4.3Å; W23-L64 HydrophobicContact CZ3-CB 4.41Å; W23-A65 HydrophobicContact CE3-CB 3.92Å; W23-A65 HydrophobicContact CZ3-CB 4.21Å
24I90.5Very high78.7Confident2 Ų266.5 Ų66.51%0.0134%0.336CS..G310 helixtrans-61.8-10.6174.261.7159.9000113.7P22 G68 Q71 L72 Q621 D652 I655 L656P22-I24 HydrophobicContact CB-CD1 4.38Å; P22-I24 HydrophobicContact CB-CG1 3.55Å; P22-I24 PolarHBondContact O-N 2.74Å; I24-G68 WeakPolarHBondContact CG2-O 3.26Å; I24-Q71 HydrophobicContact CG2-CB 4.48Å; I24-L72 HydrophobicContact CB-CD2 4.32Å; I24-L72 HydrophobicContact CB-CG 4.46Å; I24-Q621 PolarHBondContact O-NE2 3.46Å; I24-D652 HydrophobicContact CD1-CB 4Å; I24-I655 HydrophobicContact CG2-CG2 3.92Å; I24-L656 HydrophobicContact CD1-CD1 4.06Å; I24-L656 HydrophobicContact CD1-CD2 4.25Å; I24-L656 HydrophobicContact CD1-CG 4.02Å; I24-L656 HydrophobicContact CG1-CD2 4.41Å
25H90.6Very high79Confident41 Ų4165.2 Ų65.219%0.1932%0.319CS..G310 helixtrans-104.5-5.5177.6-71.2-176.1000113.5P22 W23 T27 T41 D652 Y1004P22-H25 PolarHBondContact O-N 2.83Å; W23-H25 PolarHBondContact O-N 3.33Å; H25-T27 PolarHBondContact O-N 3.34Å; H25-T41 HydrophobicContact CB-CG2 4.43Å; H25-T41 WeakPolarHBondContact O-CA 3.49Å; H25-D652 IonicContact CE1-OD2 2.77Å; H25-D652 IonicContact NE2-OD1 2.77Å; H25-D652 IonicContact NE2-OD2 2.85Å; H25-D652 PolarHBondContact NE2-OD2 3.31Å; H25-Y1004 AromaticContact CE1-CE2 3.62Å; H25-Y1004 AromaticContact CE1-CZ 3.35Å; H25-Y1004 PolarHBondContact CE1-OH 3.36Å; H25-Y1004 AromaticContact NE2-CZ 3.99Å; H25-Y1004 PolarHBondContact NE2-OH 3.3Å
26I91.4Very high79.7Confident0 Ų057.9 Ų57.90%029%0.292CS..EExtended strand (participates in β ladder)trans-71.5130.1178.5-58-47000109.3T21 W23 V29 V39 Q40 T41 A65 V69 Q621T21-I26 HydrophobicContact CG2-CD1 3.66Å; W23-I26 HydrophobicContact CE3-CG1 3.85Å; W23-I26 HydrophobicContact CZ3-CG1 4.42Å; W23-I26 WeakPolarHBondContact O-CB 3.47Å; W23-I26 PolarHBondContact O-N 2.78Å; W23-I26 VanDerWaalsContact O-N 3.08Å; I26-V29 HydrophobicContact CG2-CG2 3.76Å; I26-V39 HydrophobicContact CD1-CG1 3.37Å; I26-V39 HydrophobicContact CG1-CG1 4.13Å; I26-V39 HydrophobicContact CG2-CG1 4.12Å; I26-Q40 WeakPolarHBondContact CA-O 3.31Å; I26-T41 HydrophobicContact CD1-CG2 3.82Å; I26-A65 HydrophobicContact CB-CB 4.33Å; I26-A65 HydrophobicContact CG2-CB 4.03Å; I26-V69 WeakPolarHBondContact O-CG1 3.13Å; I26-Q621 PolarHBondContact O-NE2 2.87Å; I26-Q621 VanDerWaalsContact O-NE2 3.16Å
27T88.1Confident80.7Confident21 Ų2155.4 Ų55.413%0.12927%0.267CS..EExtended strand (participates in β ladder)trans-107.4-29.4179.559.80000112.1H25 Q40 R42 P617 K618 Q621H25-T27 PolarHBondContact O-N 3.34Å; T27-Q40 PolarHBondContact N-O 3.15Å; T27-Q40 PolarHBondContact OG1-O 3.25Å; T27-Q40 VanDerWaalsContact OG1-O 3.13Å; T27-R42 HydrophobicContact CG2-CG 3.87Å; T27-P617 CarbonylContact O-C 3.31Å; T27-K618 VanDerWaalsContact O-CA 3.27Å; T27-K618 WeakPolarHBondContact O-CA 3.41Å; T27-K618 WeakPolarHBondContact O-CB 3.32Å; T27-K618 PolarHBondContact O-N 3.45Å; T27-K618 VanDerWaalsContact O-N 3.08Å; T27-Q621 HydrophobicContact CG2-CG 4.03Å
28S86.6Confident81.5Confident22 Ų2249.8 Ų49.815%0.15423%0.232CC..EExtended strand (participates in β ladder)trans-159.6155.1172.368.70000112.1Q40S28-Q40 PolarHBondContact N-O 2.91Å; S28-Q40 PolarHBondContact O-N 2.77Å; S28-Q40 WeakPolarHBondContact OG-CB 3.44Å; S28-Q40 PolarHBondContact OG-OE1 2.75Å
29V86Confident82Confident2 Ų245.9 Ų45.91%0.01222%0.215CC..EExtended strand (participates in β ladder)trans-132.4128.2171.6-178.60000107.2I26 T37 C38 V39 L58 I61 L62 A65I26-V29 HydrophobicContact CG2-CG2 3.76Å; V29-T37 HydrophobicContact CG1-CG2 4.42Å; V29-C38 WeakPolarHBondContact CA-O 3.37Å; V29-V39 HydrophobicContact CG1-CG2 4.47Å; V29-V39 HydrophobicContact CG2-CG2 4.44Å; V29-L58 HydrophobicContact CG1-CD1 3.78Å; V29-I61 HydrophobicContact CG1-CG2 3.77Å; V29-I61 HydrophobicContact CG2-CG2 3.98Å; V29-L62 HydrophobicContact CB-CD2 3.73Å; V29-L62 HydrophobicContact CB-CG 4.3Å; V29-L62 HydrophobicContact CG1-CD2 4.08Å; V29-L62 HydrophobicContact CG1-CG 4.11Å; V29-L62 HydrophobicContact CG2-CD2 4.5Å; V29-A65 HydrophobicContact CG2-CB 4.15Å
30F81Confident82.5Confident75 Ų7547.5 Ų47.533%0.32922%0.222SC..EExtended strand (participates in β ladder)trans-151.5159-178.259.9-88.2000111.8C38F30-C38 HydrophobicContact CD1-CB 4.3Å; F30-C38 HydrophobicContact CD2-CB 3.94Å; F30-C38 HydrophobicContact CE1-CB 4.01Å; F30-C38 HydrophobicContact CE2-CB 3.62Å; F30-C38 HydrophobicContact CG-CB 4.26Å; F30-C38 HydrophobicContact CZ-CB 3.67Å; F30-C38 PolarHBondContact N-O 2.79Å; F30-C38 WeakPolarHBondContact O-CB 3.42Å; F30-C38 PolarHBondContact O-N 2.91Å
31Q78.3Confident82.6Confident102 Ų10246.8 Ų46.848%0.47722%0.217SC..  trans-90.1144.4171.9-59-169.7-56.100110.6K36 D55 L58Q31-K36 VanDerWaalsContact CG-O 3.26Å; Q31-K36 WeakPolarHBondContact CG-O 3.38Å; Q31-D55 PolarHBondContact NE2-OD1 3.41Å; Q31-L58 HydrophobicContact CG-CD1 4.07Å; Q31-L58 HydrophobicContact CG-CD2 3.43Å; Q31-L58 VanDerWaalsContact CG-CD2 3.43Å; Q31-L58 HydrophobicContact CG-CG 4.34Å
32S72Confident82.4Confident48 Ų4851.2 Ų51.234%0.33623%0.233SC..  trans-119.6152.4169.8173.70000109.7L34 Y35S32-L34 PolarHBondContact O-N 3.39Å; S32-Y35 CarbonylContact C-O 3.56Å; S32-Y35 WeakPolarHBondContact CA-O 3.32Å; S32-Y35 WeakPolarHBondContact CB-O 3.39Å; S32-Y35 PolarHBondContact N-O 3.05Å; S32-Y35 CarbonylContact O-C 3.5Å; S32-Y35 VanDerWaalsContact O-C 3.31Å; S32-Y35 PolarHBondContact O-N 3.37Å
33R72.3Confident82Confident258 Ų25858.1 Ų58.197%0.97427%0.27SS*.SBendtrans-58.5-32.6177.8-71-175.9179.2174.5-0.4113
34L62.5Low81.8Confident141 Ų14163.2 Ų63.274%0.73829%0.293SS*.SBendtrans-92.6-29-179.5-69.6168.9000112.8S32S32-L34 PolarHBondContact O-N 3.39Å
35Y61.5Low81.7Confident89 Ų8965.9 Ų65.935%0.34931%0.31SS..  trans-128.5111-174-52.9-78.7000107.6S32 T37 R47 V49S32-Y35 CarbonylContact C-O 3.56Å; S32-Y35 WeakPolarHBondContact CA-O 3.32Å; S32-Y35 WeakPolarHBondContact CB-O 3.39Å; S32-Y35 PolarHBondContact N-O 3.05Å; S32-Y35 CarbonylContact O-C 3.5Å; S32-Y35 VanDerWaalsContact O-C 3.31Å; S32-Y35 PolarHBondContact O-N 3.37Å; Y35-T37 PolarHBondContact O-N 3.37Å; Y35-T37 VanDerWaalsContact O-N 3.08Å; Y35-R47 HydrophobicContact CD1-CB 3.95Å; Y35-R47 HydrophobicContact CE1-CB 4.45Å; Y35-R47 HydrophobicContact CG-CB 3.99Å; Y35-R47 HydrophobicContact CG-CG 4.43Å; Y35-V49 HydrophobicContact CD1-CG2 4.19Å
36K71.6Confident81.5Confident89 Ų8965.6 Ų65.639%0.38731%0.307SS..SBendtrans-57.9-28.5-173.6-64.4-165.4-179.6-179.20112.7Q31 S54Q31-K36 VanDerWaalsContact CG-O 3.26Å; Q31-K36 WeakPolarHBondContact CG-O 3.38Å; K36-S54 WeakPolarHBondContact CD-OG 3.21Å; K36-S54 PolarHBondContact NZ-OG 2.94Å
37T83.1Confident81.3Confident0 Ų072.8 Ų72.80%033%0.334CS..EExtended strand (participates in β ladder)trans-141.7123.2177.4-48.90000111.4V29 Y35 V39 F48 L58 I61V29-T37 HydrophobicContact CG1-CG2 4.42Å; Y35-T37 PolarHBondContact O-N 3.37Å; Y35-T37 VanDerWaalsContact O-N 3.08Å; T37-V39 HydrophobicContact CG2-CG2 4.38Å; T37-F48 PolarHBondContact N-O 2.77Å; T37-F48 PolarHBondContact O-N 2.91Å; T37-L58 HydrophobicContact CG2-CD1 3.81Å; T37-I61 HydrophobicContact CG2-CD1 3.82Å
38C86.4Confident81Confident2 Ų272.5 Ų72.51%0.01433%0.331CS..EExtended strand (participates in β ladder)trans-112.1132.7171-65.50000109.2V29 F30 Y46V29-C38 WeakPolarHBondContact CA-O 3.37Å; F30-C38 HydrophobicContact CD1-CB 4.3Å; F30-C38 HydrophobicContact CD2-CB 3.94Å; F30-C38 HydrophobicContact CE1-CB 4.01Å; F30-C38 HydrophobicContact CE2-CB 3.62Å; F30-C38 HydrophobicContact CG-CB 4.26Å; F30-C38 HydrophobicContact CZ-CB 3.67Å; F30-C38 PolarHBondContact N-O 2.79Å; F30-C38 WeakPolarHBondContact O-CB 3.42Å; F30-C38 PolarHBondContact O-N 2.91Å; C38-Y46 CarbonylContact C-O 3.46Å; C38-Y46 WeakPolarHBondContact CA-O 3.26Å
39V89.2Confident80.7Confident0 Ų076.6 Ų76.60%036%0.355CS..EExtended strand (participates in β ladder)trans-120.3124.9175.1178.70000107.9L8 I26 V29 T37 Y46 F48 I61L8-V39 HydrophobicContact CD2-CB 4.27Å; L8-V39 HydrophobicContact CD2-CG1 3.91Å; L8-V39 HydrophobicContact CD2-CG2 4.16Å; I26-V39 HydrophobicContact CD1-CG1 3.37Å; I26-V39 HydrophobicContact CG1-CG1 4.13Å; I26-V39 HydrophobicContact CG2-CG1 4.12Å; V29-V39 HydrophobicContact CG1-CG2 4.47Å; V29-V39 HydrophobicContact CG2-CG2 4.44Å; T37-V39 HydrophobicContact CG2-CG2 4.38Å; V39-Y46 PolarHBondContact N-O 2.77Å; V39-Y46 PolarHBondContact O-N 3.21Å; V39-F48 HydrophobicContact CB-CE2 4.05Å; V39-F48 HydrophobicContact CG2-CD2 4.13Å; V39-F48 HydrophobicContact CG2-CE2 3.82Å; V39-I61 HydrophobicContact CG2-CG2 3.81Å
40Q89.1Confident80.2Confident69 Ų6977.8 Ų77.832%0.32236%0.361SS..EExtended strand (participates in β ladder)trans-114.1138.6-176.6-170.8171.3-8.300110.7I26 T27 S28I26-Q40 WeakPolarHBondContact CA-O 3.31Å; T27-Q40 PolarHBondContact N-O 3.15Å; T27-Q40 PolarHBondContact OG1-O 3.25Å; T27-Q40 VanDerWaalsContact OG1-O 3.13Å; S28-Q40 PolarHBondContact N-O 2.91Å; S28-Q40 PolarHBondContact O-N 2.77Å; S28-Q40 WeakPolarHBondContact OG-CB 3.44Å; S28-Q40 PolarHBondContact OG-OE1 2.75Å
41T88.9Confident79.8Confident11 Ų1180 Ų807%0.06738%0.383CS..EExtended strand (participates in β ladder)trans-113-179.1165.962.90000108.8T21 H25 I26 N43 Q44 Y46T21-T41 HydrophobicContact CG2-CG2 3.47Å; T21-T41 VanDerWaalsContact CG2-CG2 3.47Å; H25-T41 HydrophobicContact CB-CG2 4.43Å; H25-T41 WeakPolarHBondContact O-CA 3.49Å; I26-T41 HydrophobicContact CD1-CG2 3.82Å; T41-N43 PolarHBondContact O-N 3.19Å; T41-N43 PolarHBondContact OG1-N 3.31Å; T41-Q44 PolarHBondContact N-O 3.32Å; T41-Q44 PolarHBondContact OG1-N 3.09Å; T41-Q44 PolarHBondContact OG1-O 3.47Å; T41-Y46 HydrophobicContact CG2-CE2 3.88Å
42R81.7Confident79.4Confident100 Ų10079 Ų7938%0.37739%0.392SS..SBendtrans-59.5-37.3173.8-62.8-177.6-170.9-177.3-1.9112.6T27 D625 E648T27-R42 HydrophobicContact CG2-CG 3.87Å; R42-D625 IonicContact CZ-OD1 3.84Å; R42-D625 IonicContact CZ-OD2 3.49Å; R42-D625 IonicContact NH1-OD1 3.26Å; R42-D625 PolarHBondContact NH1-OD1 3.21Å; R42-D625 IonicContact NH2-OD1 3.59Å; R42-D625 PolarHBondContact NH2-OD1 3.28Å; R42-D625 IonicContact NH2-OD2 3.87Å; R42-E648 IonicContact CZ-OE1 2.7Å; R42-E648 IonicContact NH1-OE1 3.14Å; R42-E648 PolarHBondContact NH1-OE1 3.37Å
43N81.6Confident79.3Confident148 Ų14878.4 Ų78.479%0.79139%0.394SS*.SBendtrans-104.8-25.8-168.6-60.5-15.6000113.1T41T41-N43 PolarHBondContact O-N 3.19Å; T41-N43 PolarHBondContact OG1-N 3.31Å
44Q86Confident79.4Confident108 Ų10866.9 Ų66.951%0.50535%0.353SS..  trans-141.6149.8-170.6-64.4-173.54.700112.1T41 Y46T41-Q44 PolarHBondContact N-O 3.32Å; T41-Q44 PolarHBondContact OG1-N 3.09Å; T41-Q44 PolarHBondContact OG1-O 3.47Å; Q44-Y46 HydrophobicContact CB-CE1 4.19Å; Q44-Y46 HydrophobicContact CB-CE2 4.23Å; Q44-Y46 VanDerWaalsContact OE1-CE1 3.23Å; Q44-Y46 VanDerWaalsContact OE1-CZ 3.28Å; Q44-Y46 PolarHBondContact OE1-OH 2.8Å
45T87.6Confident79.9Confident58 Ų5865.3 Ų65.336%0.35635%0.345SS..EExtended strand (participates in β ladder)trans-116.1118.7169.5-56.80000109.2R47T45-R47 HydrophobicContact CG2-CG 4.48Å
46Y87.1Confident80.4Confident34 Ų3466.6 Ų66.613%0.13335%0.354CS..EExtended strand (participates in β ladder)trans-94.7132.6176.1-52.4-72.1000109.6I19 T21 C38 V39 T41 Q44 F48I19-Y46 HydrophobicContact CD1-CD1 3.89Å; I19-Y46 HydrophobicContact CD1-CE1 4.17Å; I19-Y46 HydrophobicContact CG1-CE1 4.4Å; I19-Y46 HydrophobicContact CG2-CD1 4.04Å; I19-Y46 HydrophobicContact CG2-CE1 3.68Å; T21-Y46 HydrophobicContact CG2-CE2 4.2Å; T21-Y46 WeakPolarHBondContact OG1-CE2 3.24Å; T21-Y46 PolarHBondContact OG1-OH 3.1Å; C38-Y46 CarbonylContact C-O 3.46Å; C38-Y46 WeakPolarHBondContact CA-O 3.26Å; V39-Y46 PolarHBondContact N-O 2.77Å; V39-Y46 PolarHBondContact O-N 3.21Å; T41-Y46 HydrophobicContact CG2-CE2 3.88Å; Q44-Y46 HydrophobicContact CB-CE1 4.19Å; Q44-Y46 HydrophobicContact CB-CE2 4.23Å; Q44-Y46 VanDerWaalsContact OE1-CE1 3.23Å; Q44-Y46 VanDerWaalsContact OE1-CZ 3.28Å; Q44-Y46 PolarHBondContact OE1-OH 2.8Å; Y46-F48 HydrophobicContact CG-CZ 4.5Å
47R86.1Confident80.5Confident152 Ų15262.8 Ų62.857%0.57434%0.339SS*.EExtended strand (participates in β ladder)trans-118.6120.8179.7-57.3-170.8-173.3104.20.6108.9Y35 T45Y35-R47 HydrophobicContact CD1-CB 3.95Å; Y35-R47 HydrophobicContact CE1-CB 4.45Å; Y35-R47 HydrophobicContact CG-CB 3.99Å; Y35-R47 HydrophobicContact CG-CG 4.43Å; T45-R47 HydrophobicContact CG2-CG 4.48Å
48F82.4Confident80.4Confident15 Ų1563.9 Ų63.97%0.06635%0.345CS..EExtended strand (participates in β ladder)trans-111.6136.8-177.5-58.6-79.3000110.6L8 F10 T37 V39 Y46 I50L8-F48 HydrophobicContact CD2-CE2 4.05Å; L8-F48 HydrophobicContact CD2-CZ 4.03Å; F10-F48 HydrophobicContact CB-CE1 4.22Å; F10-F48 HydrophobicContact CD2-CD1 4.43Å; F10-F48 HydrophobicContact CD2-CE1 4.14Å; F10-F48 HydrophobicContact CG-CE1 4.16Å; T37-F48 PolarHBondContact N-O 2.77Å; T37-F48 PolarHBondContact O-N 2.91Å; V39-F48 HydrophobicContact CB-CE2 4.05Å; V39-F48 HydrophobicContact CG2-CD2 4.13Å; V39-F48 HydrophobicContact CG2-CE2 3.82Å; Y46-F48 HydrophobicContact CG-CZ 4.5Å; F48-I50 HydrophobicContact CB-CG1 4.28Å
49V80.2Confident79.9Confident108 Ų10867.1 Ų67.166%0.65536%0.36SS*.  trans-107.7106.9168.1-179.20000106.8Y35 P51Y35-V49 HydrophobicContact CD1-CG2 4.19Å; V49-P51 WeakPolarHBondContact O-CD 3.22Å
50I76.3Confident79.2Confident26 Ų2668.3 Ų68.313%0.13337%0.366CS..  trans-102.6109.1-180-54.2-178.9000107.5M1 F48 A52 A57M1-I50 HydrophobicContact CE-CD1 4.33Å; F48-I50 HydrophobicContact CB-CG1 4.28Å; I50-A52 VanDerWaalsContact CG2-O 3.31Å; I50-A52 WeakPolarHBondContact CG2-O 3.23Å; I50-A52 PolarHBondContact O-N 3.01Å; I50-A57 HydrophobicContact CD1-CB 3.5Å; I50-A57 HydrophobicContact CG2-CB 4.2Å
51P71.1Confident79.1Confident123 Ų12365 Ų6580%0.79935%0.35SS*.SBendtrans-69.5-32.5-169.622.6-30.3000113.5V49V49-P51 WeakPolarHBondContact O-CD 3.22Å
52A70.1Confident78.8Confident79 Ų7965.3 Ų65.365%0.65335%0.351SS*.SBendtrans-134147179.100000111.1I50I50-A52 VanDerWaalsContact CG2-O 3.31Å; I50-A52 WeakPolarHBondContact CG2-O 3.23Å; I50-A52 PolarHBondContact O-N 3.01Å
53G70.2Confident78.7Confident37 Ų3762.1 Ų62.138%0.38134%0.341SS..  trans65.936.2178.700000114.1D55 E56 A57G53-D55 VanDerWaalsContact C-N 3.3Å; G53-D55 PolarHBondContact O-N 3.47Å; G53-E56 PolarHBondContact O-N 2.84Å; G53-A57 WeakPolarHBondContact O-CB 3.37Å; G53-A57 PolarHBondContact O-N 3.45Å
54S74.3Confident78.8Confident16 Ų1655.7 Ų55.711%0.11231%0.306CS..Hα-helixtrans-64.1-33.1-172.350.40000114.4K36 L58K36-S54 WeakPolarHBondContact CD-OG 3.21Å; K36-S54 PolarHBondContact NZ-OG 2.94Å; S54-L58 WeakPolarHBondContact O-CB 3.34Å; S54-L58 PolarHBondContact O-N 3.2Å
55D73.2Confident79Confident107 Ų10750.6 Ų50.657%0.57228%0.282SS*.Hα-helixtrans-77.5-41.9-178.7-60.7-27.6000110.8Q31 G53 A57 L58 H59Q31-D55 PolarHBondContact NE2-OD1 3.41Å; G53-D55 VanDerWaalsContact C-N 3.3Å; G53-D55 PolarHBondContact O-N 3.47Å; D55-A57 VanDerWaalsContact C-N 3.33Å; D55-A57 PolarHBondContact O-N 3.41Å; D55-L58 PolarHBondContact O-N 3.24Å; D55-H59 WeakPolarHBondContact O-CB 3.39Å; D55-H59 PolarHBondContact O-N 3.33Å
56E71.4Confident78.8Confident117 Ų11748.4 Ų48.455%0.54727%0.269SS..Hα-helixtrans-57.7-46.6170.5-67168.6-17500111G53 H59 M60G53-E56 PolarHBondContact O-N 2.84Å; E56-H59 PolarHBondContact O-N 2.84Å; E56-M60 PolarHBondContact O-N 2.92Å
57A75.6Confident78.5Confident8 Ų848.5 Ų48.57%0.06627%0.269CS..Hα-helixtrans-63.9-42.4177.900000112.9I50 G53 D55 H59 M60 I61I50-A57 HydrophobicContact CD1-CB 3.5Å; I50-A57 HydrophobicContact CG2-CB 4.2Å; G53-A57 WeakPolarHBondContact O-CB 3.37Å; G53-A57 PolarHBondContact O-N 3.45Å; D55-A57 VanDerWaalsContact C-N 3.33Å; D55-A57 PolarHBondContact O-N 3.41Å; A57-H59 VanDerWaalsContact C-N 3.33Å; A57-M60 HydrophobicContact CB-CE 4.49Å; A57-M60 PolarHBondContact O-N 2.87Å; A57-I61 WeakPolarHBondContact O-CB 3.35Å; A57-I61 WeakPolarHBondContact O-CD1 3.45Å; A57-I61 VanDerWaalsContact O-CG1 3.23Å; A57-I61 WeakPolarHBondContact O-CG1 3.48Å; A57-I61 PolarHBondContact O-N 3.39Å
58L80.4Confident78.3Confident24 Ų2441.3 Ų41.313%0.12624%0.242CC..Hα-helixtrans-60.1-46.5174.2177.975.2000110.9V29 Q31 T37 S54 D55 M60 I61 L62V29-L58 HydrophobicContact CG1-CD1 3.78Å; Q31-L58 HydrophobicContact CG-CD1 4.07Å; Q31-L58 HydrophobicContact CG-CD2 3.43Å; Q31-L58 VanDerWaalsContact CG-CD2 3.43Å; Q31-L58 HydrophobicContact CG-CG 4.34Å; T37-L58 HydrophobicContact CG2-CD1 3.81Å; S54-L58 WeakPolarHBondContact O-CB 3.34Å; S54-L58 PolarHBondContact O-N 3.2Å; D55-L58 PolarHBondContact O-N 3.24Å; L58-M60 VanDerWaalsContact C-N 3.35Å; L58-M60 PolarHBondContact O-N 3.46Å; L58-I61 PolarHBondContact O-N 2.87Å; L58-L62 HydrophobicContact CD1-CD1 4.45Å; L58-L62 HydrophobicContact CD2-CD1 4.36Å; L58-L62 HydrophobicContact CG-CD1 3.97Å; L58-L62 WeakPolarHBondContact O-CB 3.4Å; L58-L62 WeakPolarHBondContact O-CG 2.97Å; L58-L62 PolarHBondContact O-N 2.82Å
59H74.5Confident78.6Confident70 Ų7040.6 Ų40.632%0.32424%0.239SC..Hα-helixtrans-62.9-42.9-178.5-163.1-68.9000111.1D55 E56 A57 L62 Q63 I107D55-H59 WeakPolarHBondContact O-CB 3.39Å; D55-H59 PolarHBondContact O-N 3.33Å; E56-H59 PolarHBondContact O-N 2.84Å; A57-H59 VanDerWaalsContact C-N 3.33Å; H59-L62 PolarHBondContact O-N 2.8Å; H59-Q63 PolarHBondContact CE1-NE2 3.04Å; H59-Q63 WeakPolarHBondContact O-CB 3.35Å; H59-Q63 VanDerWaalsContact O-CG 3.27Å; H59-Q63 WeakPolarHBondContact O-CG 3.33Å; H59-Q63 PolarHBondContact O-N 2.94Å; H59-I107 VanDerWaalsContact CE1-CG2 3.44Å; H59-I107 WeakPolarHBondContact CE1-CG2 3.47Å
60M76.5Confident78.7Confident24 Ų2439.9 Ų39.912%0.11823%0.225CC..Hα-helixtrans-60.3-45.3172.9-79.7-170.6-78.100112.9L3 E56 A57 L58 L62 Q63 L64 L100L3-M60 HydrophobicContact CD1-CB 4.42Å; E56-M60 PolarHBondContact O-N 2.92Å; A57-M60 HydrophobicContact CB-CE 4.49Å; A57-M60 PolarHBondContact O-N 2.87Å; L58-M60 VanDerWaalsContact C-N 3.35Å; L58-M60 PolarHBondContact O-N 3.46Å; M60-L62 VanDerWaalsContact C-N 3.33Å; M60-L62 PolarHBondContact O-N 2.93Å; M60-Q63 PolarHBondContact O-N 2.9Å; M60-L64 WeakPolarHBondContact O-CG 3.43Å; M60-L64 PolarHBondContact O-N 3.12Å; M60-L100 HydrophobicContact CE-CD1 3.29Å; M60-L100 HydrophobicContact SD-CD1 3.13Å; M60-L100 WeakPolarHBondContact SD-CD1 3.49Å
61I85.3Confident78.9Confident0 Ų039.3 Ų39.30%022%0.221CC..Hα-helixtrans-62.7-42.3178.4-70.7166.1000110.2M1 L3 W23 V29 T37 V39 A57 L58 A65M1-I61 HydrophobicContact CE-CD1 4.07Å; M1-I61 HydrophobicContact SD-CD1 4.07Å; L3-I61 HydrophobicContact CD1-CG1 4.4Å; L3-I61 HydrophobicContact CD2-CG1 4.47Å; W23-I61 HydrophobicContact CH2-CG1 4.38Å; W23-I61 HydrophobicContact CH2-CG2 4.21Å; W23-I61 HydrophobicContact CZ3-CG2 4.01Å; V29-I61 HydrophobicContact CG1-CG2 3.77Å; V29-I61 HydrophobicContact CG2-CG2 3.98Å; T37-I61 HydrophobicContact CG2-CD1 3.82Å; V39-I61 HydrophobicContact CG2-CG2 3.81Å; A57-I61 WeakPolarHBondContact O-CB 3.35Å; A57-I61 WeakPolarHBondContact O-CD1 3.45Å; A57-I61 VanDerWaalsContact O-CG1 3.23Å; A57-I61 WeakPolarHBondContact O-CG1 3.48Å; A57-I61 PolarHBondContact O-N 3.39Å; L58-I61 PolarHBondContact O-N 2.87Å; I61-A65 WeakPolarHBondContact O-CB 3.26Å; I61-A65 PolarHBondContact O-N 3.47Å
62L84Confident79.6Confident17 Ų1733.7 Ų33.79%0.08919%0.185CC..Hα-helixtrans-61.1-43.2175.1-80.6166.5000111.7V29 L58 H59 M60 N66V29-L62 HydrophobicContact CB-CD2 3.73Å; V29-L62 HydrophobicContact CB-CG 4.3Å; V29-L62 HydrophobicContact CG1-CD2 4.08Å; V29-L62 HydrophobicContact CG1-CG 4.11Å; V29-L62 HydrophobicContact CG2-CD2 4.5Å; L58-L62 HydrophobicContact CD1-CD1 4.45Å; L58-L62 HydrophobicContact CD2-CD1 4.36Å; L58-L62 HydrophobicContact CG-CD1 3.97Å; L58-L62 WeakPolarHBondContact O-CB 3.4Å; L58-L62 WeakPolarHBondContact O-CG 2.97Å; L58-L62 PolarHBondContact O-N 2.82Å; H59-L62 PolarHBondContact O-N 2.8Å; M60-L62 VanDerWaalsContact C-N 3.33Å; M60-L62 PolarHBondContact O-N 2.93Å; L62-N66 WeakPolarHBondContact O-CB 3.42Å; L62-N66 PolarHBondContact O-N 3.15Å
63Q79.8Confident79.9Confident34 Ų3431 Ų3116%0.15916%0.159CC..Hα-helixtrans-67.5-45.2179.8-73.1-67.3-11.500112.6H59 M60 N66 Y67 I107H59-Q63 PolarHBondContact CE1-NE2 3.04Å; H59-Q63 WeakPolarHBondContact O-CB 3.35Å; H59-Q63 VanDerWaalsContact O-CG 3.27Å; H59-Q63 WeakPolarHBondContact O-CG 3.33Å; H59-Q63 PolarHBondContact O-N 2.94Å; M60-Q63 PolarHBondContact O-N 2.9Å; Q63-N66 WeakPolarHBondContact O-CB 3.39Å; Q63-N66 PolarHBondContact O-N 2.69Å; Q63-Y67 WeakPolarHBondContact O-CB 3.22Å; Q63-Y67 PolarHBondContact O-N 3.25Å; Q63-I107 HydrophobicContact CG-CD1 4.42Å; Q63-I107 HydrophobicContact CG-CG1 4.41Å
64L83.3Confident79.9Confident13 Ų1331.2 Ų31.27%0.06815%0.153CC..Hα-helixtrans-69-37.4176.7-70.1173.4000112L3 W23 M60 Y67 G68L3-L64 HydrophobicContact CB-CD1 3.77Å; L3-L64 HydrophobicContact CD1-CD1 4.05Å; L3-L64 HydrophobicContact CG-CD1 4.4Å; W23-L64 HydrophobicContact CD2-CB 3.98Å; W23-L64 HydrophobicContact CE3-CB 4.38Å; W23-L64 HydrophobicContact CH2-CB 4.04Å; W23-L64 HydrophobicContact CH2-CD1 4.42Å; W23-L64 HydrophobicContact CZ2-CB 3.61Å; W23-L64 HydrophobicContact CZ2-CD1 3.68Å; W23-L64 HydrophobicContact CZ2-CG 4.3Å; W23-L64 HydrophobicContact CZ3-CB 4.41Å; M60-L64 WeakPolarHBondContact O-CG 3.43Å; M60-L64 PolarHBondContact O-N 3.12Å; L64-Y67 PolarHBondContact O-N 2.98Å; L64-G68 PolarHBondContact O-N 2.88Å
65A88.8Confident79.5Confident0 Ų032.3 Ų32.30%016%0.158CC..Hα-helixtrans-62.2-46.9172.100000110.9W23 I26 V29 I61 Y67 G68 V69W23-A65 HydrophobicContact CE3-CB 3.92Å; W23-A65 HydrophobicContact CZ3-CB 4.21Å; I26-A65 HydrophobicContact CB-CB 4.33Å; I26-A65 HydrophobicContact CG2-CB 4.03Å; V29-A65 HydrophobicContact CG2-CB 4.15Å; I61-A65 WeakPolarHBondContact O-CB 3.26Å; I61-A65 PolarHBondContact O-N 3.47Å; A65-Y67 PolarHBondContact O-N 2.8Å; A65-G68 PolarHBondContact O-N 2.71Å; A65-V69 WeakPolarHBondContact O-CG1 3.23Å; A65-V69 WeakPolarHBondContact O-CG2 3.44Å; A65-V69 PolarHBondContact O-N 3.44Å
66N84.1Confident79.1Confident13 Ų1327.7 Ų27.77%0.0713%0.133CC..Hα-helixtrans-56.4-48.7174171.946.1000111.7L62 Q63 V69 R70 L613 R616L62-N66 WeakPolarHBondContact O-CB 3.42Å; L62-N66 PolarHBondContact O-N 3.15Å; Q63-N66 WeakPolarHBondContact O-CB 3.39Å; Q63-N66 PolarHBondContact O-N 2.69Å; N66-V69 WeakPolarHBondContact O-CG2 3.42Å; N66-R70 WeakPolarHBondContact O-CB 3.5Å; N66-R70 VanDerWaalsContact O-CG 3.31Å; N66-R70 WeakPolarHBondContact O-CG 3.45Å; N66-R70 PolarHBondContact O-N 2.88Å; N66-L613 HydrophobicContact CB-CD2 3.83Å; N66-L613 WeakPolarHBondContact ND2-CD2 3.27Å; N66-R616 WeakPolarHBondContact OD1-CD 3.33Å; N66-R616 PolarHBondContact OD1-NH1 3.42Å
67Y80.1Confident78.4Confident36 Ų3622.4 Ų22.414%0.14111%0.109CC..Hα-helixtrans-58.6-50.6177179.4-98.5000111.6L5 Q63 L64 A65 R70 D85 Y659L5-Y67 HydrophobicContact CD2-CD1 4.19Å; L5-Y67 HydrophobicContact CD2-CE1 3.7Å; Q63-Y67 WeakPolarHBondContact O-CB 3.22Å; Q63-Y67 PolarHBondContact O-N 3.25Å; L64-Y67 PolarHBondContact O-N 2.98Å; A65-Y67 PolarHBondContact O-N 2.8Å; Y67-R70 PolarHBondContact O-N 2.91Å; Y67-D85 VanDerWaalsContact CE2-OD1 3.25Å; Y67-D85 WeakPolarHBondContact CE2-OD1 3.46Å; Y67-D85 PolarHBondContact OH-OD1 2.76Å; Y67-Y659 HydrophobicContact CE1-CE1 4.11Å; Y67-Y659 VanDerWaalsContact OH-CE1 3.29Å; Y67-Y659 WeakPolarHBondContact OH-CE1 3.14Å; Y67-Y659 PolarHBondContact OH-OH 3.41Å
68G83.4Confident77.4Confident1 Ų123.4 Ų23.41%0.0111%0.111CC..Hα-helixtrans-63.1-4818000000112.8I24 L64 A65 R70 Q71I24-G68 WeakPolarHBondContact CG2-O 3.26Å; L64-G68 PolarHBondContact O-N 2.88Å; A65-G68 PolarHBondContact O-N 2.71Å; G68-R70 VanDerWaalsContact C-N 3.33Å; G68-R70 PolarHBondContact O-N 2.87Å; G68-Q71 VanDerWaalsContact O-CB 3.28Å; G68-Q71 WeakPolarHBondContact O-CB 3.46Å; G68-Q71 WeakPolarHBondContact O-CG 3.23Å; G68-Q71 PolarHBondContact O-N 3.12Å; G68-Q71 VanDerWaalsContact O-N 3.14Å
69V88.1Confident75.9Confident0 Ų024 Ų240%012%0.116CC..Hα-helixtrans-65.7-34.2-179.3-64.90000112.4I26 A65 N66 Q71 L72 P617 I620I26-V69 WeakPolarHBondContact O-CG1 3.13Å; A65-V69 WeakPolarHBondContact O-CG1 3.23Å; A65-V69 WeakPolarHBondContact O-CG2 3.44Å; A65-V69 PolarHBondContact O-N 3.44Å; N66-V69 WeakPolarHBondContact O-CG2 3.42Å; V69-Q71 PolarHBondContact O-N 3.14Å; V69-Q71 VanDerWaalsContact O-N 3.12Å; V69-L72 WeakPolarHBondContact O-CB 3.48Å; V69-L72 WeakPolarHBondContact O-CG 3.43Å; V69-L72 PolarHBondContact O-N 3.14Å; V69-P617 HydrophobicContact CG1-CB 4.17Å; V69-P617 HydrophobicContact CG2-CB 4.3Å; V69-P617 HydrophobicContact CG2-CG 4.3Å; V69-I620 HydrophobicContact CB-CB 4.37Å; V69-I620 HydrophobicContact CB-CG2 4.29Å; V69-I620 HydrophobicContact CG2-CB 4.46Å; V69-I620 HydrophobicContact CG2-CD1 3.97Å; V69-I620 WeakPolarHBondContact O-CG2 3.39Å
70R82.9Confident74.6Confident93 Ų9321.8 Ų21.835%0.35111%0.108SC..Hα-helixtrans-60.8-21.5176-76.8178.789.8-166.54.4113N66 Y67 G68 L72 L73 D431 I620N66-R70 WeakPolarHBondContact O-CB 3.5Å; N66-R70 VanDerWaalsContact O-CG 3.31Å; N66-R70 WeakPolarHBondContact O-CG 3.45Å; N66-R70 PolarHBondContact O-N 2.88Å; Y67-R70 PolarHBondContact O-N 2.91Å; G68-R70 VanDerWaalsContact C-N 3.33Å; G68-R70 PolarHBondContact O-N 2.87Å; R70-L72 PolarHBondContact O-N 3.09Å; R70-L73 WeakPolarHBondContact O-CA 3.23Å; R70-L73 VanDerWaalsContact O-CB 3.29Å; R70-L73 WeakPolarHBondContact O-CB 3.33Å; R70-L73 PolarHBondContact O-N 3.42Å; R70-D431 IonicContact CZ-OD1 3.32Å; R70-D431 IonicContact CZ-OD2 3.23Å; R70-D431 IonicContact NE-OD1 3.96Å; R70-D431 IonicContact NE-OD2 3.28Å; R70-D431 PolarHBondContact NE-OD2 3.36Å; R70-D431 VanDerWaalsContact NH2-CG 3.31Å; R70-D431 IonicContact NH2-OD1 2.72Å; R70-D431 PolarHBondContact NH2-OD1 3.19Å; R70-D431 IonicContact NH2-OD2 2.8Å; R70-D431 PolarHBondContact NH2-OD2 3.35Å; R70-D431 VanDerWaalsContact NH2-OD2 3.16Å; R70-I620 HydrophobicContact CB-CD1 4.48Å; R70-I620 HydrophobicContact CG-CD1 3.74Å
71Q80.9Confident72.9Confident14 Ų1430.7 Ų30.77%0.06514%0.14CC..G310 helixtrans-66.1-23.4173-57.7170.41900112.6I24 G68 V69 L73 V74 I655 Y659I24-Q71 HydrophobicContact CG2-CB 4.48Å; G68-Q71 VanDerWaalsContact O-CB 3.28Å; G68-Q71 WeakPolarHBondContact O-CB 3.46Å; G68-Q71 WeakPolarHBondContact O-CG 3.23Å; G68-Q71 PolarHBondContact O-N 3.12Å; G68-Q71 VanDerWaalsContact O-N 3.14Å; V69-Q71 PolarHBondContact O-N 3.14Å; V69-Q71 VanDerWaalsContact O-N 3.12Å; Q71-L73 PolarHBondContact O-N 2.9Å; Q71-V74 PolarHBondContact O-N 3.24Å; Q71-V74 VanDerWaalsContact O-N 3.07Å; Q71-I655 HydrophobicContact CB-CG2 3.7Å; Q71-I655 HydrophobicContact CG-CG2 4.48Å; Q71-Y659 VanDerWaalsContact CD-CE2 3.5Å; Q71-Y659 VanDerWaalsContact CD-OH 3.28Å; Q71-Y659 VanDerWaalsContact NE2-CZ 3.29Å; Q71-Y659 PolarHBondContact NE2-OH 3.26Å; Q71-Y659 VanDerWaalsContact OE1-CE2 3.3Å
72L84.4Confident70.9Confident5 Ų532.8 Ų32.83%0.02616%0.155CC..G310 helixtrans-69-11.4170.6-60.3169.2000112.6I24 V69 R70 I620 I655I24-L72 HydrophobicContact CB-CD2 4.32Å; I24-L72 HydrophobicContact CB-CG 4.46Å; V69-L72 WeakPolarHBondContact O-CB 3.48Å; V69-L72 WeakPolarHBondContact O-CG 3.43Å; V69-L72 PolarHBondContact O-N 3.14Å; R70-L72 PolarHBondContact O-N 3.09Å; L72-I620 HydrophobicContact CB-CG2 3.85Å; L72-I620 HydrophobicContact CD1-CG2 4.17Å; L72-I655 HydrophobicContact CD2-CD1 3.66Å
73L76.9Confident68.7Low21 Ų2140 Ų4011%0.1119%0.188CC..G310 helixtrans-93-1.3171.8-54.4177.4000112.4R70 Q71 D75 R436 A438 I620 L623R70-L73 WeakPolarHBondContact O-CA 3.23Å; R70-L73 VanDerWaalsContact O-CB 3.29Å; R70-L73 WeakPolarHBondContact O-CB 3.33Å; R70-L73 PolarHBondContact O-N 3.42Å; Q71-L73 PolarHBondContact O-N 2.9Å; L73-D75 PolarHBondContact O-N 3.17Å; L73-R436 VanDerWaalsContact CA-CZ 3.41Å; L73-R436 VanDerWaalsContact CD2-NE 3.28Å; L73-R436 PolarHBondContact O-NH2 3.15Å; L73-A438 HydrophobicContact CD1-CB 3.79Å; L73-A438 HydrophobicContact CD2-CB 4.29Å; L73-I620 HydrophobicContact CD1-CD1 3.64Å; L73-I620 HydrophobicContact CD1-CG1 4.04Å; L73-I620 HydrophobicContact CD2-CG1 4.28Å; L73-I620 HydrophobicContact CD2-CG2 3.86Å; L73-I620 HydrophobicContact CG-CD1 4.08Å; L73-I620 HydrophobicContact CG-CG1 4.27Å; L73-I620 HydrophobicContact CG-CG2 3.92Å; L73-L623 HydrophobicContact CD2-CD1 4.23Å
74V71.1Confident66.8Low43 Ų4343.5 Ų43.526%0.26120%0.203SC..  trans-91.6102.7178.7-178.70000108.1Q71 C77Q71-V74 PolarHBondContact O-N 3.24Å; Q71-V74 VanDerWaalsContact O-N 3.07Å; V74-C77 HydrophobicContact CG1-CB 4.42Å
75D65.4Low65.2Low39 Ų3944.2 Ų44.221%0.20921%0.207CC..SBendtrans-69.6-53.8176.6-57-22.8000107.9L73 R436 Y654 V684L73-D75 PolarHBondContact O-N 3.17Å; D75-R436 IonicContact OD1-CZ 3.33Å; D75-R436 IonicContact OD1-NH1 3.02Å; D75-R436 PolarHBondContact OD1-NH1 3.2Å; D75-R436 IonicContact OD1-NH2 2.99Å; D75-R436 IonicContact OD2-NH2 3.02Å; D75-Y654 PolarHBondContact O-OH 3.04Å; D75-V684 CarbonylContact C-O 3.59Å; D75-V684 HydrophobicContact CB-CG1 4.1Å
76D63.8Low62.9Low9 Ų947.9 Ų47.95%0.04823%0.226CC..  trans-116.4117.4179.3-125.1-45.8000115.2Y78 S80 Y654 H671 T674 R679D76-Y78 VanDerWaalsContact C-N 3.3Å; D76-Y78 WeakPolarHBondContact OD1-CD2 3.48Å; D76-S80 PolarHBondContact O-OG 3.35Å; D76-Y654 WeakPolarHBondContact CA-OH 3.32Å; D76-H671 IonicContact OD1-CE1 2.7Å; D76-H671 PolarHBondContact OD1-CE1 3.12Å; D76-H671 IonicContact OD1-NE2 2.66Å; D76-H671 PolarHBondContact OD1-NE2 3.43Å; D76-H671 IonicContact OD2-CE1 3.28Å; D76-H671 PolarHBondContact OD2-CE1 3.41Å; D76-H671 VanDerWaalsContact OD2-CE1 3.29Å; D76-H671 IonicContact OD2-NE2 3.63Å; D76-T674 HydrophobicContact CB-CG2 3.57Å; D76-R679 IonicContact OD2-CZ 2.65Å; D76-R679 IonicContact OD2-NH1 3.04Å; D76-R679 PolarHBondContact OD2-NH1 3.3Å; D76-R679 IonicContact OD2-NH2 3.75Å; D76-R679 PolarHBondContact OD2-NH2 3.04Å
77C56.3Low61Low6 Ų652.1 Ų52.14%0.04125%0.245CC..SBendtrans-85.4-8.2-174.4760000113.3V74 Y654 K658 Q664V74-C77 HydrophobicContact CG1-CB 4.42Å; C77-Y654 HydrophobicContact CB-CE1 4.39Å; C77-Y654 HydrophobicContact CB-CE2 4.34Å; C77-Y654 WeakPolarHBondContact CB-OH 3.43Å; C77-Y654 PolarHBondContact N-OH 2.7Å; C77-Y654 VanDerWaalsContact SG-CE2 3.51Å; C77-Y654 VanDerWaalsContact SG-CZ 3.59Å; C77-Y654 PolarHBondContact SG-OH 2.86Å; C77-K658 HydrophobicContact CB-CD 4.11Å; C77-Q664 PolarHBondContact O-NE2 2.87Å; C77-Q664 VanDerWaalsContact O-NE2 3.13Å
78Y55.3Low59.5Low30 Ų3051.8 Ų51.812%0.11825%0.246CC..SBendtrans-97-11.8-175-58.4-75.4000114.4D76 Y654 P667 H671 D688 Q691 L724D76-Y78 VanDerWaalsContact C-N 3.3Å; D76-Y78 WeakPolarHBondContact OD1-CD2 3.48Å; Y78-Y654 HydrophobicContact CE2-CE2 4.25Å; Y78-P667 HydrophobicContact CD1-CG 3.92Å; Y78-P667 HydrophobicContact CD2-CG 4.16Å; Y78-P667 HydrophobicContact CG-CG 3.54Å; Y78-H671 AromaticContact CD2-NE2 3.91Å; Y78-D688 PolarHBondContact OH-N 3.31Å; Y78-Q691 PolarHBondContact OH-OE1 2.57Å; Y78-L724 HydrophobicContact CD2-CD1 4.46Å; Y78-L724 HydrophobicContact CD2-CD2 4.32Å; Y78-L724 HydrophobicContact CE2-CD1 4.5Å; Y78-L724 HydrophobicContact CE2-CD2 3.64Å
79T49Very low57.9Low37 Ų3754.3 Ų54.323%0.22726%0.256CS..SBendtrans-108.4-3.4-177.4520000115.6H671 T674T79-H671 WeakPolarHBondContact CG2-ND1 3.49Å; T79-H671 WeakPolarHBondContact CG2-O 3.33Å; T79-T674 WeakPolarHBondContact CB-OG1 3.42Å; T79-T674 HydrophobicContact CG2-CG2 3.18Å; T79-T674 WeakPolarHBondContact OG1-CB 3.39Å; T79-T674 VanDerWaalsContact OG1-CG2 3.24Å; T79-T674 WeakPolarHBondContact OG1-CG2 3.07Å; T79-T674 PolarHBondContact OG1-OG1 3.44Å
80S46.8Very low56Low22 Ų2258.8 Ų58.815%0.15428%0.279CS..  trans-119.596.6-167.259.10000114.2D76 S82 N394D76-S80 PolarHBondContact O-OG 3.35Å; S80-S82 PolarHBondContact O-N 3.32Å; S80-S82 VanDerWaalsContact O-N 3.12Å; S80-N394 WeakPolarHBondContact CB-OD1 3.35Å
81W40.8Very low54.3Low212 Ų21256.1 Ų56.180%0.80327%0.272SS*.  trans-77.176.5155.5-67.885.2000108.5Q83 L86W81-Q83 PolarHBondContact O-N 2.92Å; W81-L86 HydrophobicContact CE3-CD1 4.25Å; W81-L86 HydrophobicContact CZ3-CD1 3.9Å; W81-L86 HydrophobicContact CZ3-CD2 4.44Å
82S43.2Very low52.8Low43 Ų4356.6 Ų56.630%0.30128%0.275SS..  trans-68.2117.3165.5124.30000107.6S80 F84 D85 L86S80-S82 PolarHBondContact O-N 3.32Å; S80-S82 VanDerWaalsContact O-N 3.12Å; S82-F84 PolarHBondContact O-N 3.4Å; S82-F84 VanDerWaalsContact O-N 3.17Å; S82-D85 PolarHBondContact O-N 3.26Å; S82-D85 WeakPolarHBondContact OG-CB 3.31Å; S82-D85 PolarHBondContact OG-N 2.88Å; S82-L86 PolarHBondContact O-N 3.02Å
83Q37.4Very low51.1Low170 Ų17061.7 Ų61.779%0.79431%0.306SS*.Hα-helixtrans-55.6-32179.5-127.9176.63.700111.5W81W81-Q83 PolarHBondContact O-N 2.92Å
84F40.2Very low49.7Very low106 Ų10666.4 Ų66.447%0.46533%0.328SS..Hα-helixtrans-66.6-35.3177.7-141.4-89.8000112.6S82 L88 A120S82-F84 PolarHBondContact O-N 3.4Å; S82-F84 VanDerWaalsContact O-N 3.17Å; F84-L88 HydrophobicContact CD1-CD1 4.07Å; F84-L88 HydrophobicContact CE1-CD1 4.18Å; F84-A120 HydrophobicContact CE2-CB 4.26Å
85D50.1Low48.6Very low28 Ų2870.7 Ų70.715%0.1535%0.349CS..Hα-helixtrans-78-28.5-177.1-151.531.2000111.6Y67 S82 K89Y67-D85 VanDerWaalsContact CE2-OD1 3.25Å; Y67-D85 WeakPolarHBondContact CE2-OD1 3.46Å; Y67-D85 PolarHBondContact OH-OD1 2.76Å; S82-D85 PolarHBondContact O-N 3.26Å; S82-D85 WeakPolarHBondContact OG-CB 3.31Å; S82-D85 PolarHBondContact OG-N 2.88Å; D85-K89 WeakPolarHBondContact O-CB 3.27Å; D85-K89 VanDerWaalsContact O-CG 3.24Å; D85-K89 WeakPolarHBondContact O-CG 3.49Å; D85-K89 PolarHBondContact O-N 3.42Å; D85-K89 WeakPolarHBondContact OD2-CE 3.36Å; D85-K89 IonicContact OD2-NZ 3.25Å; D85-K89 PolarHBondContact OD2-NZ 2.74Å
86L40.3Very low47.9Very low78 Ų7874.1 Ų74.141%0.40838%0.376SS..Hα-helixtrans-71.9-42178.8-160.676.3000112.1W81 S82 K89 I90W81-L86 HydrophobicContact CE3-CD1 4.25Å; W81-L86 HydrophobicContact CZ3-CD1 3.9Å; W81-L86 HydrophobicContact CZ3-CD2 4.44Å; S82-L86 PolarHBondContact O-N 3.02Å; L86-K89 PolarHBondContact O-N 3.02Å; L86-I90 HydrophobicContact CD1-CD1 4.43Å; L86-I90 HydrophobicContact CD2-CD1 4.06Å; L86-I90 HydrophobicContact CG-CD1 3.74Å; L86-I90 HydrophobicContact CG-CG1 4.32Å; L86-I90 WeakPolarHBondContact O-CB 3.27Å; L86-I90 VanDerWaalsContact O-CG1 3.23Å; L86-I90 WeakPolarHBondContact O-CG1 3.49Å; L86-I90 PolarHBondContact O-N 3.09Å
87H45.5Very low47.4Very low101 Ų10178.2 Ų78.247%0.46841%0.405SS..Hα-helixtrans-66.8-42.1-179.2-146.979.1000111.5L91H87-L91 VanDerWaalsContact CD2-CD1 3.4Å; H87-L91 WeakPolarHBondContact CD2-CD1 3.42Å; H87-L91 VanDerWaalsContact O-CB 3.27Å; H87-L91 WeakPolarHBondContact O-CB 3.4Å; H87-L91 WeakPolarHBondContact O-CD1 3.5Å; H87-L91 VanDerWaalsContact O-CG 3.32Å; H87-L91 WeakPolarHBondContact O-CG 3.17Å; H87-L91 PolarHBondContact O-N 3.03Å
88L48.4Very low47.6Very low30 Ų3081.9 Ų81.916%0.15743%0.425CS..Hα-helixtrans-64.4-47171.4-83.5160.4000111.6F84 I90 L91 L92 L103 L106F84-L88 HydrophobicContact CD1-CD1 4.07Å; F84-L88 HydrophobicContact CE1-CD1 4.18Å; L88-I90 PolarHBondContact O-N 3.13Å; L88-L91 PolarHBondContact O-N 2.8Å; L88-L92 HydrophobicContact CB-CD1 4.12Å; L88-L92 HydrophobicContact CD2-CD1 3.93Å; L88-L92 VanDerWaalsContact O-CB 3.24Å; L88-L92 WeakPolarHBondContact O-CB 3.37Å; L88-L92 VanDerWaalsContact O-CD1 3.29Å; L88-L92 WeakPolarHBondContact O-CD1 3.43Å; L88-L92 WeakPolarHBondContact O-CG 3.27Å; L88-L92 PolarHBondContact O-N 3.01Å; L88-L103 HydrophobicContact CD2-CD2 4.46Å; L88-L106 HydrophobicContact CD2-CD1 3.46Å; L88-L106 VanDerWaalsContact CD2-CD1 3.46Å; L88-L106 HydrophobicContact CG-CD1 4.28Å
89K48.2Very low47.7Very low53 Ų5382.2 Ų82.223%0.2343%0.429CS..Hα-helixtrans-61.3-43178.5-83.1172.2174.1158.60113.3D85 L86 T93D85-K89 WeakPolarHBondContact O-CB 3.27Å; D85-K89 VanDerWaalsContact O-CG 3.24Å; D85-K89 WeakPolarHBondContact O-CG 3.49Å; D85-K89 PolarHBondContact O-N 3.42Å; D85-K89 WeakPolarHBondContact OD2-CE 3.36Å; D85-K89 IonicContact OD2-NZ 3.25Å; D85-K89 PolarHBondContact OD2-NZ 2.74Å; L86-K89 PolarHBondContact O-N 3.02Å; K89-T93 WeakPolarHBondContact O-CB 3.42Å; K89-T93 VanDerWaalsContact O-CG2 3.23Å; K89-T93 WeakPolarHBondContact O-CG2 3.41Å; K89-T93 PolarHBondContact O-N 3.07Å; K89-T93 PolarHBondContact O-OG1 3.08Å
90I49Very low48.3Very low94 Ų9484.1 Ų84.148%0.48244%0.437SS..Hα-helixtrans-66.2-39.3177.7-68.7170.7000110.7L86 L88 T93L86-I90 HydrophobicContact CD1-CD1 4.43Å; L86-I90 HydrophobicContact CD2-CD1 4.06Å; L86-I90 HydrophobicContact CG-CD1 3.74Å; L86-I90 HydrophobicContact CG-CG1 4.32Å; L86-I90 WeakPolarHBondContact O-CB 3.27Å; L86-I90 VanDerWaalsContact O-CG1 3.23Å; L86-I90 WeakPolarHBondContact O-CG1 3.49Å; L86-I90 PolarHBondContact O-N 3.09Å; L88-I90 PolarHBondContact O-N 3.13Å; I90-T93 PolarHBondContact O-OG1 2.84Å
91L46.6Very low49.2Very low38 Ų3887.7 Ų87.720%0.19945%0.454CS..Hα-helixtrans-72.9-33.2-179.6-80.6164.5000113.3H87 L88 K102 L106H87-L91 VanDerWaalsContact CD2-CD1 3.4Å; H87-L91 WeakPolarHBondContact CD2-CD1 3.42Å; H87-L91 VanDerWaalsContact O-CB 3.27Å; H87-L91 WeakPolarHBondContact O-CB 3.4Å; H87-L91 WeakPolarHBondContact O-CD1 3.5Å; H87-L91 VanDerWaalsContact O-CG 3.32Å; H87-L91 WeakPolarHBondContact O-CG 3.17Å; H87-L91 PolarHBondContact O-N 3.03Å; L88-L91 PolarHBondContact O-N 2.8Å; L91-K102 HydrophobicContact CB-CD 4.35Å; L91-K102 HydrophobicContact CD2-CD 3.88Å; L91-K102 HydrophobicContact CD2-CG 4.37Å; L91-K102 WeakPolarHBondContact O-CD 3.05Å; L91-K102 PolarHBondContact O-NZ 2.95Å; L91-L106 HydrophobicContact CD1-CD1 4.18Å; L91-L106 HydrophobicContact CD1-CD2 4.22Å
92L50.7Low50.4Low24 Ų2479.7 Ų79.713%0.12643%0.425CS..Hα-helixtrans-91.3-10.6-173.4-59.1167.2000113.8L5 L88 Q94 L99 L103L5-L92 HydrophobicContact CD1-CB 4.04Å; L5-L92 HydrophobicContact CD1-CD1 4.16Å; L5-L92 HydrophobicContact CD2-CD1 3.39Å; L5-L92 HydrophobicContact CG-CB 4.43Å; L5-L92 HydrophobicContact CG-CD1 3.96Å; L88-L92 HydrophobicContact CB-CD1 4.12Å; L88-L92 HydrophobicContact CD2-CD1 3.93Å; L88-L92 VanDerWaalsContact O-CB 3.24Å; L88-L92 WeakPolarHBondContact O-CB 3.37Å; L88-L92 VanDerWaalsContact O-CD1 3.29Å; L88-L92 WeakPolarHBondContact O-CD1 3.43Å; L88-L92 WeakPolarHBondContact O-CG 3.27Å; L88-L92 PolarHBondContact O-N 3.01Å; L92-Q94 VanDerWaalsContact C-N 3.33Å; L92-L99 HydrophobicContact CB-CD1 3.94Å; L92-L99 HydrophobicContact CD2-CD1 3.22Å; L92-L99 HydrophobicContact CD2-CG 3.79Å; L92-L99 HydrophobicContact CG-CD1 4.13Å; L92-L103 HydrophobicContact CD2-CD2 4.03Å; L92-L103 HydrophobicContact CD2-CG 4.15Å
93T49.1Very low51.3Low112 Ų11278.6 Ų78.669%0.68742%0.416SS*.SBendtrans-84.1-2.4176.142.10000114K89 I90K89-T93 WeakPolarHBondContact O-CB 3.42Å; K89-T93 VanDerWaalsContact O-CG2 3.23Å; K89-T93 WeakPolarHBondContact O-CG2 3.41Å; K89-T93 PolarHBondContact O-N 3.07Å; K89-T93 PolarHBondContact O-OG1 3.08Å; I90-T93 PolarHBondContact O-OG1 2.84Å
94Q47Very low52.8Low120 Ų12072.3 Ų72.356%0.56139%0.388SS*.SBendtrans-107.6135.2177.5-65.3-178.4-11.100111.5L92L92-Q94 VanDerWaalsContact C-N 3.33Å
95N46.6Very low54.3Low133 Ų13369.4 Ų69.471%0.71138%0.379SS*.  trans8.6114.6177.7-86.2-15.6000117.6S97 N98N95-S97 PolarHBondContact O-N 2.7Å; N95-N98 PolarHBondContact O-N 2.62Å; N95-N98 VanDerWaalsContact O-N 3.14Å
96S50.5Low55.3Low111 Ų11169.8 Ų69.878%0.77638%0.38SS*.G310 helixtrans-51.8-23.6-176.653.40000116.1N98 L99S96-N98 VanDerWaalsContact C-N 3.27Å; S96-N98 PolarHBondContact O-N 2.69Å; S96-L99 WeakPolarHBondContact O-CB 3.45Å; S96-L99 PolarHBondContact O-N 2.78Å
97S55.4Low56.6Low94 Ų9467.8 Ų67.866%0.65737%0.37SS*.G310 helixtrans-69.8-18.618061.10000114.3N95N95-S97 PolarHBondContact O-N 2.7Å
98N59.5Low58.1Low83 Ų8369.1 Ų69.144%0.44437%0.371SS..G310 helixtrans-104.40.2178.6-74.3-26.7000113.7N95 S96 L100 K102N95-N98 PolarHBondContact O-N 2.62Å; N95-N98 VanDerWaalsContact O-N 3.14Å; S96-N98 VanDerWaalsContact C-N 3.27Å; S96-N98 PolarHBondContact O-N 2.69Å; N98-L100 PolarHBondContact O-N 2.81Å; N98-K102 WeakPolarHBondContact O-CB 3.45Å; N98-K102 WeakPolarHBondContact O-CG 3.48Å; N98-K102 PolarHBondContact O-N 3.36Å
99L56.9Low59.8Low38 Ų3867.8 Ų67.820%0.19936%0.364CS..Hα-helixtrans-61.3-45.3-175.3-158.181.4000111.9L92 S96 K102 L103L92-L99 HydrophobicContact CB-CD1 3.94Å; L92-L99 HydrophobicContact CD2-CD1 3.22Å; L92-L99 HydrophobicContact CD2-CG 3.79Å; L92-L99 HydrophobicContact CG-CD1 4.13Å; S96-L99 WeakPolarHBondContact O-CB 3.45Å; S96-L99 PolarHBondContact O-N 2.78Å; L99-K102 PolarHBondContact O-N 3.05Å; L99-L103 HydrophobicContact CD2-CD1 4.39Å; L99-L103 HydrophobicContact CG-CD1 4.21Å; L99-L103 WeakPolarHBondContact O-CB 3.29Å; L99-L103 WeakPolarHBondContact O-CG 3.5Å; L99-L103 PolarHBondContact O-N 3.33Å
100L62.5Low61.1Low77 Ų7768.7 Ų68.740%0.40337%0.369SS..Hα-helixtrans-59.2-54.8-179.2-177.566.3000110.9M60 N98 K102 L103 D104M60-L100 HydrophobicContact CE-CD1 3.29Å; M60-L100 HydrophobicContact SD-CD1 3.13Å; M60-L100 WeakPolarHBondContact SD-CD1 3.49Å; N98-L100 PolarHBondContact O-N 2.81Å; L100-K102 VanDerWaalsContact C-N 3.28Å; L100-K102 PolarHBondContact O-N 3.49Å; L100-L103 PolarHBondContact O-N 2.96Å; L100-L103 VanDerWaalsContact O-N 3.16Å; L100-D104 PolarHBondContact O-N 3.34Å
101N65Low62.5Low96 Ų9668 Ų6851%0.51336%0.363SS..Hα-helixtrans-59.7-39.2179.4-67.8-16.5000112.1D104 V105N101-D104 PolarHBondContact O-N 3.42Å; N101-V105 VanDerWaalsContact O-CG2 3.26Å; N101-V105 WeakPolarHBondContact O-CG2 3.34Å; N101-V105 PolarHBondContact O-N 3.42Å
102K65.6Low64.4Low44 Ų4466.4 Ų66.419%0.19136%0.355CS..Hα-helixtrans-66.7-44.4176.9-76.7175.6170-177.60111.6L91 N98 L99 L100 D104 V105 L106L91-K102 HydrophobicContact CB-CD 4.35Å; L91-K102 HydrophobicContact CD2-CD 3.88Å; L91-K102 HydrophobicContact CD2-CG 4.37Å; L91-K102 WeakPolarHBondContact O-CD 3.05Å; L91-K102 PolarHBondContact O-NZ 2.95Å; N98-K102 WeakPolarHBondContact O-CB 3.45Å; N98-K102 WeakPolarHBondContact O-CG 3.48Å; N98-K102 PolarHBondContact O-N 3.36Å; L99-K102 PolarHBondContact O-N 3.05Å; L100-K102 VanDerWaalsContact C-N 3.28Å; L100-K102 PolarHBondContact O-N 3.49Å; K102-D104 VanDerWaalsContact C-N 3.34Å; K102-V105 PolarHBondContact O-N 3.37Å; K102-L106 VanDerWaalsContact O-CG 3.32Å; K102-L106 WeakPolarHBondContact O-CG 3.02Å; K102-L106 PolarHBondContact O-N 3.47Å
103L63.3Low66.2Low21 Ų2166 Ų6611%0.1135%0.352CS..Hα-helixtrans-62.4-42.1175.1-75.1170.4000111.2L88 L92 L99 L100 V105 L106 I107L88-L103 HydrophobicContact CD2-CD2 4.46Å; L92-L103 HydrophobicContact CD2-CD2 4.03Å; L92-L103 HydrophobicContact CD2-CG 4.15Å; L99-L103 HydrophobicContact CD2-CD1 4.39Å; L99-L103 HydrophobicContact CG-CD1 4.21Å; L99-L103 WeakPolarHBondContact O-CB 3.29Å; L99-L103 WeakPolarHBondContact O-CG 3.5Å; L99-L103 PolarHBondContact O-N 3.33Å; L100-L103 PolarHBondContact O-N 2.96Å; L100-L103 VanDerWaalsContact O-N 3.16Å; L103-V105 VanDerWaalsContact C-N 3.32Å; L103-V105 PolarHBondContact O-N 3.34Å; L103-L106 PolarHBondContact O-N 2.81Å; L103-L106 VanDerWaalsContact O-N 3.15Å; L103-I107 WeakPolarHBondContact O-CB 3.32Å; L103-I107 WeakPolarHBondContact O-CD1 3.31Å; L103-I107 VanDerWaalsContact O-CG1 3.25Å; L103-I107 WeakPolarHBondContact O-CG1 3.43Å; L103-I107 PolarHBondContact O-N 3.17Å
104D67.9Low67.7Low38 Ų3862.9 Ų62.920%0.20333%0.331CS..Hα-helixtrans-64.2-36.8176.6-71.5-20.4000112.2L100 N101 K102 R108L100-D104 PolarHBondContact O-N 3.34Å; N101-D104 PolarHBondContact O-N 3.42Å; K102-D104 VanDerWaalsContact C-N 3.34Å; D104-R108 WeakPolarHBondContact O-CB 3.42Å; D104-R108 VanDerWaalsContact O-CG 3.26Å; D104-R108 WeakPolarHBondContact O-CG 3.42Å; D104-R108 PolarHBondContact O-N 2.73Å; D104-R108 PolarHBondContact O-NE 2.68Å; D104-R108 VanDerWaalsContact O-NE 3.13Å
105V73.3Confident69.5Low45 Ų4558.7 Ų58.727%0.27332%0.315SS..Hα-helixtrans-65-44.4171.7169.60000110.4N101 K102 L103 R108 S109 I123N101-V105 VanDerWaalsContact O-CG2 3.26Å; N101-V105 WeakPolarHBondContact O-CG2 3.34Å; N101-V105 PolarHBondContact O-N 3.42Å; K102-V105 PolarHBondContact O-N 3.37Å; L103-V105 VanDerWaalsContact C-N 3.32Å; L103-V105 PolarHBondContact O-N 3.34Å; V105-R108 PolarHBondContact O-N 3.44Å; V105-S109 VanDerWaalsContact O-CB 3.26Å; V105-S109 WeakPolarHBondContact O-CB 3.2Å; V105-S109 PolarHBondContact O-N 3.5Å; V105-S109 PolarHBondContact O-OG 2.86Å; V105-I123 HydrophobicContact CG1-CG2 3.66Å
106L69.4Low71.6Confident36 Ų3652.6 Ų52.619%0.18828%0.283CS..Hα-helixtrans-65.2-41.6179-70.6173.3000112.3L88 L91 K102 L103 S109 Q110L88-L106 HydrophobicContact CD2-CD1 3.46Å; L88-L106 VanDerWaalsContact CD2-CD1 3.46Å; L88-L106 HydrophobicContact CG-CD1 4.28Å; L91-L106 HydrophobicContact CD1-CD1 4.18Å; L91-L106 HydrophobicContact CD1-CD2 4.22Å; K102-L106 VanDerWaalsContact O-CG 3.32Å; K102-L106 WeakPolarHBondContact O-CG 3.02Å; K102-L106 PolarHBondContact O-N 3.47Å; L103-L106 PolarHBondContact O-N 2.81Å; L103-L106 VanDerWaalsContact O-N 3.15Å; L106-S109 PolarHBondContact O-N 3.27Å; L106-Q110 WeakPolarHBondContact O-CB 3.4Å; L106-Q110 PolarHBondContact O-N 2.9Å
107I69Low73.3Confident36 Ų3648.1 Ų48.119%0.18525%0.249CC..Hα-helixtrans-63.1-47.7176.7-70161.6000110.3H59 Q63 L103 S109 Q110 H111H59-I107 VanDerWaalsContact CE1-CG2 3.44Å; H59-I107 WeakPolarHBondContact CE1-CG2 3.47Å; Q63-I107 HydrophobicContact CG-CD1 4.42Å; Q63-I107 HydrophobicContact CG-CG1 4.41Å; L103-I107 WeakPolarHBondContact O-CB 3.32Å; L103-I107 WeakPolarHBondContact O-CD1 3.31Å; L103-I107 VanDerWaalsContact O-CG1 3.25Å; L103-I107 WeakPolarHBondContact O-CG1 3.43Å; L103-I107 PolarHBondContact O-N 3.17Å; I107-S109 VanDerWaalsContact C-N 3.28Å; I107-S109 PolarHBondContact O-N 3.12Å; I107-Q110 PolarHBondContact O-N 3.21Å; I107-H111 PolarHBondContact O-N 2.77Å
108R76.7Confident74.9Confident129 Ų12943.7 Ų43.749%0.48722%0.218SC..Hα-helixtrans-63.5-37.2176.4-73.4-177.9-67.2156.7-3.5111.8D104 V105 F112 I124D104-R108 WeakPolarHBondContact O-CB 3.42Å; D104-R108 VanDerWaalsContact O-CG 3.26Å; D104-R108 WeakPolarHBondContact O-CG 3.42Å; D104-R108 PolarHBondContact O-N 2.73Å; D104-R108 PolarHBondContact O-NE 2.68Å; D104-R108 VanDerWaalsContact O-NE 3.13Å; V105-R108 PolarHBondContact O-N 3.44Å; R108-F112 WeakPolarHBondContact O-CB 3.36Å; R108-F112 PolarHBondContact O-N 2.97Å; R108-I124 HydrophobicContact CB-CG2 4.08Å
109S83.7Confident76Confident2 Ų239.8 Ų39.81%0.01420%0.198CC..Hα-helixtrans-66.1-42.4175.7-58.70000111.2V105 L106 I107 F112 Q113 I123 I124V105-S109 VanDerWaalsContact O-CB 3.26Å; V105-S109 WeakPolarHBondContact O-CB 3.2Å; V105-S109 PolarHBondContact O-N 3.5Å; V105-S109 PolarHBondContact O-OG 2.86Å; L106-S109 PolarHBondContact O-N 3.27Å; I107-S109 VanDerWaalsContact C-N 3.28Å; I107-S109 PolarHBondContact O-N 3.12Å; S109-F112 CarbonylContact O-C 3.5Å; S109-F112 WeakPolarHBondContact O-CB 3.43Å; S109-F112 PolarHBondContact O-N 3.23Å; S109-Q113 WeakPolarHBondContact O-CB 3.43Å; S109-Q113 WeakPolarHBondContact O-CG 3.35Å; S109-Q113 PolarHBondContact O-N 3.4Å; S109-I123 WeakPolarHBondContact OG-CG2 3.48Å; S109-I124 WeakPolarHBondContact OG-CG2 3.12Å; S109-I124 PolarHBondContact OG-N 3.34Å
110Q75.1Confident76.9Confident71 Ų7140.9 Ų40.933%0.33221%0.212SC..Hα-helixtrans-62.2-49.3177.1-175.5174.211.700110.9L106 I107 F112 Q113 D114L106-Q110 WeakPolarHBondContact O-CB 3.4Å; L106-Q110 PolarHBondContact O-N 2.9Å; I107-Q110 PolarHBondContact O-N 3.21Å; Q110-F112 VanDerWaalsContact C-N 3.27Å; Q110-F112 PolarHBondContact O-N 3.13Å; Q110-Q113 PolarHBondContact O-N 2.93Å; Q110-Q113 VanDerWaalsContact O-N 3.16Å; Q110-D114 WeakPolarHBondContact O-CB 3.3Å; Q110-D114 VanDerWaalsContact O-CG 3.24Å; Q110-D114 PolarHBondContact O-N 3.13Å
111H78.8Confident77.7Confident80 Ų8042.8 Ų42.837%0.3722%0.215SC..Hα-helixtrans-59.1-40.4175.4-175.4-71000111.9I107 S115 E606I107-H111 PolarHBondContact O-N 2.77Å; H111-S115 PolarHBondContact CE1-OG 2.77Å; H111-S115 PolarHBondContact ND1-OG 3.31Å; H111-S115 WeakPolarHBondContact O-CB 3.31Å; H111-S115 PolarHBondContact O-N 3.41Å; H111-S115 PolarHBondContact O-OG 2.95Å; H111-E606 IonicContact NE2-OE1 3.13Å; H111-E606 IonicContact NE2-OE2 2.97Å
112F86.5Confident78.7Confident4 Ų438.3 Ų38.32%0.01819%0.191CC..Hα-helixtrans-61.8-47.8175.1167-109.2000111.7R108 S109 Q110 S115 F116 L118 I124 F146 C153R108-F112 WeakPolarHBondContact O-CB 3.36Å; R108-F112 PolarHBondContact O-N 2.97Å; S109-F112 CarbonylContact O-C 3.5Å; S109-F112 WeakPolarHBondContact O-CB 3.43Å; S109-F112 PolarHBondContact O-N 3.23Å; Q110-F112 VanDerWaalsContact C-N 3.27Å; Q110-F112 PolarHBondContact O-N 3.13Å; F112-S115 PolarHBondContact O-N 3.49Å; F112-F116 AromaticContact CD2-CD2 3.51Å; F112-F116 HydrophobicContact CD2-CD2 3.51Å; F112-F116 AromaticContact CD2-CE2 3.72Å; F112-F116 HydrophobicContact CD2-CE2 3.72Å; F112-F116 AromaticContact CE2-CD2 3.63Å; F112-F116 HydrophobicContact CE2-CD2 3.63Å; F112-F116 AromaticContact CE2-CE2 3.9Å; F112-F116 HydrophobicContact CE2-CE2 3.9Å; F112-F116 HydrophobicContact CG-CD2 4.47Å; F112-F116 VanDerWaalsContact O-CD2 3.3Å; F112-F116 WeakPolarHBondContact O-CD2 3.42Å; F112-F116 PolarHBondContact O-N 2.81Å; F112-L118 HydrophobicContact CD1-CD1 3.97Å; F112-L118 HydrophobicContact CE1-CD1 3.29Å; F112-L118 HydrophobicContact CE2-CD1 3.88Å; F112-L118 HydrophobicContact CZ-CD1 3.23Å; F112-I124 HydrophobicContact CD1-CB 4.23Å; F112-I124 HydrophobicContact CG-CB 4.43Å; F112-F146 HydrophobicContact CD2-CB 3.67Å; F112-F146 HydrophobicContact CD2-CD1 4.2Å; F112-F146 AromaticContact CD2-CG 3.93Å; F112-F146 HydrophobicContact CD2-CG 3.93Å; F112-F146 HydrophobicContact CE2-CB 3.33Å; F112-F146 HydrophobicContact CE2-CG 4.05Å; F112-F146 HydrophobicContact CZ-CB 4.24Å; F112-C153 HydrophobicContact CE2-CB 3.85Å; F112-C153 HydrophobicContact CZ-CB 4.47Å
113Q87.6Confident79.6Confident15 Ų1538.5 Ų38.57%0.0719%0.193CC..Hα-helixtrans-59.9-47.9177.2-69.9161.66.100111.5S109 Q110 F116 H117 L118 A120 E122S109-Q113 WeakPolarHBondContact O-CB 3.43Å; S109-Q113 WeakPolarHBondContact O-CG 3.35Å; S109-Q113 PolarHBondContact O-N 3.4Å; Q110-Q113 PolarHBondContact O-N 2.93Å; Q110-Q113 VanDerWaalsContact O-N 3.16Å; Q113-F116 PolarHBondContact O-N 3.42Å; Q113-H117 CarbonylContact O-C 3.48Å; Q113-H117 VanDerWaalsContact O-CA 3.32Å; Q113-H117 WeakPolarHBondContact O-CA 3.25Å; Q113-H117 PolarHBondContact O-N 2.87Å; Q113-L118 PolarHBondContact O-N 3.18Å; Q113-A120 PolarHBondContact NE2-O 2.87Å; Q113-E122 WeakPolarHBondContact CG-O 3.24Å; Q113-E122 PolarHBondContact NE2-O 2.88Å
114D80.6Confident80.7Confident47 Ų4738.2 Ų38.225%0.25119%0.192SC..Hα-helixtrans-66.9-42.2-178.6-65.1-25000111.2Q110 F116 H117Q110-D114 WeakPolarHBondContact O-CB 3.3Å; Q110-D114 VanDerWaalsContact O-CG 3.24Å; Q110-D114 PolarHBondContact O-N 3.13Å; D114-F116 VanDerWaalsContact C-N 3.27Å; D114-F116 PolarHBondContact O-N 2.84Å; D114-H117 PolarHBondContact O-CD2 2.95Å; D114-H117 VanDerWaalsContact O-CD2 3.32Å
115S85.2Confident81.6Confident32 Ų3240.2 Ų40.222%0.22420%0.2CC..Hα-helixtrans-65.4-28.8-178.5-67.70000114.2H111 F112H111-S115 PolarHBondContact CE1-OG 2.77Å; H111-S115 PolarHBondContact ND1-OG 3.31Å; H111-S115 WeakPolarHBondContact O-CB 3.31Å; H111-S115 PolarHBondContact O-N 3.41Å; H111-S115 PolarHBondContact O-OG 2.95Å; F112-S115 PolarHBondContact O-N 3.49Å
116F90.5Very high82.3Confident6 Ų639.8 Ų39.83%0.02620%0.197CC..Hα-helixtrans-116.36.4-175.6-66.4-69.6000113.2F112 Q113 D114 L118 F146 C153 Y154 C155 K162 I164F112-F116 AromaticContact CD2-CD2 3.51Å; F112-F116 HydrophobicContact CD2-CD2 3.51Å; F112-F116 AromaticContact CD2-CE2 3.72Å; F112-F116 HydrophobicContact CD2-CE2 3.72Å; F112-F116 AromaticContact CE2-CD2 3.63Å; F112-F116 HydrophobicContact CE2-CD2 3.63Å; F112-F116 AromaticContact CE2-CE2 3.9Å; F112-F116 HydrophobicContact CE2-CE2 3.9Å; F112-F116 HydrophobicContact CG-CD2 4.47Å; F112-F116 VanDerWaalsContact O-CD2 3.3Å; F112-F116 WeakPolarHBondContact O-CD2 3.42Å; F112-F116 PolarHBondContact O-N 2.81Å; Q113-F116 PolarHBondContact O-N 3.42Å; D114-F116 VanDerWaalsContact C-N 3.27Å; D114-F116 PolarHBondContact O-N 2.84Å; F116-L118 VanDerWaalsContact C-N 3.35Å; F116-L118 HydrophobicContact CB-CD1 3.95Å; F116-L118 HydrophobicContact CB-CD2 4.16Å; F116-L118 HydrophobicContact CB-CG 3.73Å; F116-L118 PolarHBondContact O-N 2.76Å; F116-F146 AromaticContact CE2-CD2 3.59Å; F116-F146 HydrophobicContact CE2-CD2 3.59Å; F116-F146 AromaticContact CE2-CE2 3.88Å; F116-F146 HydrophobicContact CE2-CE2 3.88Å; F116-F146 HydrophobicContact CE2-CG 4.19Å; F116-F146 AromaticContact CZ-CD2 3.7Å; F116-F146 HydrophobicContact CZ-CD2 3.7Å; F116-F146 AromaticContact CZ-CE2 3.86Å; F116-F146 HydrophobicContact CZ-CE2 3.86Å; F116-C153 HydrophobicContact CD1-CB 3.68Å; F116-C153 HydrophobicContact CD2-CB 3.73Å; F116-C153 HydrophobicContact CE1-CB 3.62Å; F116-C153 HydrophobicContact CE2-CB 3.68Å; F116-C153 HydrophobicContact CG-CB 3.73Å; F116-C153 HydrophobicContact CZ-CB 3.6Å; F116-Y154 WeakPolarHBondContact CE1-O 3.4Å; F116-C155 HydrophobicContact CE1-CB 4.21Å; F116-C155 HydrophobicContact CZ-CB 3.77Å; F116-K162 HydrophobicContact CE1-CB 4.32Å; F116-K162 HydrophobicContact CE1-CD 4.48Å; F116-K162 HydrophobicContact CE1-CG 4.38Å; F116-I164 HydrophobicContact CB-CD1 4.19Å; F116-I164 HydrophobicContact CB-CG1 4.11Å; F116-I164 HydrophobicContact CD1-CD1 4.35Å; F116-I164 HydrophobicContact CD1-CG1 3.79Å; F116-I164 HydrophobicContact CG-CG1 4.36Å; F116-I164 WeakPolarHBondContact O-CD1 3.41Å
117H87.6Confident83.3Confident17 Ų1740.7 Ų40.78%0.07921%0.207CC..THydrogen-bonded Turntrans53.947.2-178.3-62.1169.3000113Q113 D114 L326Q113-H117 CarbonylContact O-C 3.48Å; Q113-H117 VanDerWaalsContact O-CA 3.32Å; Q113-H117 WeakPolarHBondContact O-CA 3.25Å; Q113-H117 PolarHBondContact O-N 2.87Å; D114-H117 PolarHBondContact O-CD2 2.95Å; D114-H117 VanDerWaalsContact O-CD2 3.32Å; H117-L326 PolarHBondContact ND1-O 2.94Å
118L87.6Confident84.5Confident0 Ų040.6 Ų40.60%021%0.208CC..  trans-95.7159.9-177.6-53.9175.8000112.3F112 Q113 F116 E122 F151 I164 R427F112-L118 HydrophobicContact CD1-CD1 3.97Å; F112-L118 HydrophobicContact CE1-CD1 3.29Å; F112-L118 HydrophobicContact CE2-CD1 3.88Å; F112-L118 HydrophobicContact CZ-CD1 3.23Å; Q113-L118 PolarHBondContact O-N 3.18Å; F116-L118 VanDerWaalsContact C-N 3.35Å; F116-L118 HydrophobicContact CB-CD1 3.95Å; F116-L118 HydrophobicContact CB-CD2 4.16Å; F116-L118 HydrophobicContact CB-CG 3.73Å; F116-L118 PolarHBondContact O-N 2.76Å; L118-E122 HydrophobicContact CB-CB 4.48Å; L118-F151 HydrophobicContact CD1-CB 4.39Å; L118-F151 HydrophobicContact CD1-CG 4.43Å; L118-F151 HydrophobicContact CD2-CB 4.44Å; L118-F151 HydrophobicContact CD2-CD1 3.79Å; L118-F151 HydrophobicContact CD2-CD2 4.12Å; L118-F151 HydrophobicContact CD2-CE1 4.06Å; L118-F151 HydrophobicContact CD2-CE2 4.39Å; L118-F151 HydrophobicContact CD2-CG 3.83Å; L118-F151 HydrophobicContact CD2-CZ 4.37Å; L118-I164 HydrophobicContact CD2-CG2 3.87Å; L118-R427 VanDerWaalsContact O-CD 3.31Å; L118-R427 WeakPolarHBondContact O-CD 3.22Å
119P83.1Confident85.3Confident2 Ų239.7 Ų39.71%0.01321%0.213CC..  trans-61.1148.4174.7-21.732.6000113.4Y121 E122 F151 N331 E332P119-Y121 HydrophobicContact CB-CD1 3.83Å; P119-Y121 HydrophobicContact CB-CD2 4.44Å; P119-Y121 HydrophobicContact CB-CE1 3.32Å; P119-Y121 HydrophobicContact CB-CE2 3.99Å; P119-Y121 HydrophobicContact CB-CG 4.36Å; P119-Y121 VanDerWaalsContact CB-CZ 3.4Å; P119-Y121 HydrophobicContact CG-CE1 4.14Å; P119-Y121 HydrophobicContact CG-CE2 4.4Å; P119-Y121 PolarHBondContact O-N 3.29Å; P119-Y121 VanDerWaalsContact O-N 3.09Å; P119-E122 WeakPolarHBondContact O-CB 3.27Å; P119-E122 PolarHBondContact O-N 2.76Å; P119-F151 HydrophobicContact CG-CE2 4.47Å; P119-N331 HydrophobicContact CG-CB 4.46Å; P119-E332 HydrophobicContact CB-CG 4.09Å; P119-E332 HydrophobicContact CG-CG 3.83Å
120A75.6Confident85.8Confident61 Ų6139.9 Ų39.950%0.50421%0.214SC..THydrogen-bonded Turntrans-62.6-20.2-175.100000115.1F84 Q113 E122F84-A120 HydrophobicContact CE2-CB 4.26Å; Q113-A120 PolarHBondContact NE2-O 2.87Å; A120-E122 VanDerWaalsContact C-N 3.33Å
121Y80Confident86.6Confident116 Ų11641.3 Ų41.346%0.45522%0.219SC..THydrogen-bonded Turntrans-83.2-6.3177.557.5-102.6000113.6P119 I123 A335P119-Y121 HydrophobicContact CB-CD1 3.83Å; P119-Y121 HydrophobicContact CB-CD2 4.44Å; P119-Y121 HydrophobicContact CB-CE1 3.32Å; P119-Y121 HydrophobicContact CB-CE2 3.99Å; P119-Y121 HydrophobicContact CB-CG 4.36Å; P119-Y121 VanDerWaalsContact CB-CZ 3.4Å; P119-Y121 HydrophobicContact CG-CE1 4.14Å; P119-Y121 HydrophobicContact CG-CE2 4.4Å; P119-Y121 PolarHBondContact O-N 3.29Å; P119-Y121 VanDerWaalsContact O-N 3.09Å; Y121-I123 PolarHBondContact O-N 2.62Å; Y121-A335 WeakPolarHBondContact OH-CB 3.5Å
122E85.4Confident87.3Confident3 Ų337.6 Ų37.61%0.01420%0.202CC..  trans-79.8105.2179.8-74.5-62.1137.400111.6Q113 L118 P119 A120 S148 P149 Q150 F151Q113-E122 WeakPolarHBondContact CG-O 3.24Å; Q113-E122 PolarHBondContact NE2-O 2.88Å; L118-E122 HydrophobicContact CB-CB 4.48Å; P119-E122 WeakPolarHBondContact O-CB 3.27Å; P119-E122 PolarHBondContact O-N 2.76Å; A120-E122 VanDerWaalsContact C-N 3.33Å; E122-S148 WeakPolarHBondContact OE2-CB 3.26Å; E122-S148 PolarHBondContact OE2-OG 3.13Å; E122-P149 WeakPolarHBondContact OE2-CD 3.33Å; E122-Q150 VanDerWaalsContact OE1-CB 3.23Å; E122-Q150 WeakPolarHBondContact OE1-CB 3.42Å; E122-Q150 VanDerWaalsContact OE1-CG 3.23Å; E122-Q150 WeakPolarHBondContact OE1-CG 3.35Å; E122-Q150 PolarHBondContact OE2-N 2.99Å; E122-Q150 VanDerWaalsContact OE2-N 3.12Å; E122-F151 HydrophobicContact CG-CD2 3.65Å; E122-F151 HydrophobicContact CG-CE2 3.7Å
123I84.2Confident87.4Confident48 Ų4838.9 Ų38.925%0.24621%0.208CC..  trans-95.7135179.6-59178.8000109.1V105 S109 Y121 E125 S148 P149V105-I123 HydrophobicContact CG1-CG2 3.66Å; S109-I123 WeakPolarHBondContact OG-CG2 3.48Å; Y121-I123 PolarHBondContact O-N 2.62Å; I123-E125 PolarHBondContact O-N 2.76Å; I123-S148 WeakPolarHBondContact O-CB 3.44Å; I123-P149 VanDerWaalsContact O-CD 3.25Å; I123-P149 WeakPolarHBondContact O-CD 3.43Å
124I86.6Confident87Confident14 Ų1440.4 Ų40.47%0.07221%0.213CC..  trans-68.4123.3176.5-166.9177.1000110.6R108 S109 F112 F146R108-I124 HydrophobicContact CB-CG2 4.08Å; S109-I124 WeakPolarHBondContact OG-CG2 3.12Å; S109-I124 PolarHBondContact OG-N 3.34Å; F112-I124 HydrophobicContact CD1-CB 4.23Å; F112-I124 HydrophobicContact CG-CB 4.43Å; I124-F146 HydrophobicContact CD1-CB 4.4Å; I124-F146 HydrophobicContact CD1-CD1 3.62Å; I124-F146 HydrophobicContact CD1-CE1 4.45Å; I124-F146 HydrophobicContact CD1-CG 4.49Å
125E86.3Confident86.6Confident81 Ų8142 Ų4238%0.37922%0.221SC..  trans-89.4-44.8175.8-64.6-174168.300111.3I123 L147I123-E125 PolarHBondContact O-N 2.76Å; E125-L147 PolarHBondContact N-O 3.04Å
126T88.1Confident85.9Confident35 Ų3543.9 Ų43.922%0.21523%0.229CC..EExtended strand (participates in β ladder)trans-150.2150.2-179.859.30000112.3L147 K211T126-L147 PolarHBondContact N-O 3.37Å; T126-L147 PolarHBondContact O-N 2.92Å; T126-L147 WeakPolarHBondContact OG1-CB 3.35Å; T126-K211 HydrophobicContact CG2-CD 4.28Å
127S91.5Very high84.7Confident56 Ų5648.5 Ų48.539%0.39225%0.254SS..EExtended strand (participates in β ladder)trans-127.7134167.259.90000109.6M145S127-M145 CarbonylContact C-O 3.57Å; S127-M145 WeakPolarHBondContact CA-O 3.16Å
128V93Very high83.6Confident34 Ų3452.6 Ų52.621%0.20628%0.28CS..EExtended strand (participates in β ladder)trans-134141.4177.2-66.70000111.6K144 M145 I202 I208V128-K144 CarbonylContact O-C 3.6Å; V128-K144 WeakPolarHBondContact O-CA 3.39Å; V128-M145 HydrophobicContact CG2-CB 4.11Å; V128-M145 HydrophobicContact CG2-CE 3.72Å; V128-M145 PolarHBondContact N-O 3.33Å; V128-M145 PolarHBondContact O-N 3.33Å; V128-I202 HydrophobicContact CG2-CG2 4.4Å; V128-I208 HydrophobicContact CB-CD1 4.17Å; V128-I208 HydrophobicContact CG1-CD1 3.73Å; V128-I208 HydrophobicContact CG2-CD1 3.47Å; V128-I208 VanDerWaalsContact CG2-CD1 3.47Å
129D94Very high83Confident110 Ų11058.5 Ų58.559%0.58831%0.308SS*.EExtended strand (participates in β ladder)trans-70.6132.3167.9-64.9-56.5000109K144D129-K144 WeakPolarHBondContact OD1-CE 3.42Å; D129-K144 WeakPolarHBondContact OD1-CG 3.11Å
130C94.1Very high83.1Confident6 Ų661.9 Ų61.94%0.04133%0.328CS..EExtended strand (participates in β ladder)trans-155173.8179660000110.8G143 M145 I202C130-G143 PolarHBondContact N-O 3.16Å; C130-G143 CarbonylContact O-C 3.59Å; C130-G143 PolarHBondContact O-N 3.07Å; C130-M145 VanDerWaalsContact SG-CB 3.51Å; C130-I202 HydrophobicContact CB-CD1 4.34Å; C130-I202 HydrophobicContact CB-CG1 3.62Å
131K92.8Very high83.9Confident101 Ų10160.9 Ų60.944%0.43931%0.314SS..EExtended strand (participates in β ladder)trans-117.9130.2173.4-64.5179.1-175.11780109.9T140 I141 F199 T200K131-T140 HydrophobicContact CB-CG2 3.61Å; K131-T140 HydrophobicContact CD-CG2 3.78Å; K131-T140 HydrophobicContact CG-CG2 4.19Å; K131-I141 CarbonylContact C-O 3.51Å; K131-I141 VanDerWaalsContact CA-O 3.27Å; K131-I141 WeakPolarHBondContact CA-O 3.21Å; K131-F199 CarbonylContact O-C 3.59Å; K131-F199 WeakPolarHBondContact O-CA 3.33Å; K131-T200 WeakPolarHBondContact CB-OG1 3.32Å; K131-T200 PolarHBondContact N-O 3.16Å; K131-T200 PolarHBondContact O-N 2.88Å; K131-T200 PolarHBondContact O-OG1 3.42Å; K131-T200 VanDerWaalsContact O-OG1 3.08Å
132L93Very high84.6Confident2 Ų258.2 Ų58.21%0.0131%0.313CS..EExtended strand (participates in β ladder)trans-89.3128.8172.6176.573.6000109.8T140 I141 Y154 I163 Y197 F199 Y301L132-T140 CarbonylContact O-C 3.58Å; L132-T140 WeakPolarHBondContact O-CA 3.07Å; L132-I141 PolarHBondContact N-O 3.47Å; L132-I141 PolarHBondContact O-N 2.93Å; L132-Y154 HydrophobicContact CB-CD1 4.32Å; L132-Y154 HydrophobicContact CB-CE1 3.78Å; L132-Y154 HydrophobicContact CB-CE2 4.1Å; L132-Y154 HydrophobicContact CD2-CD1 3.98Å; L132-Y154 HydrophobicContact CD2-CE1 3.82Å; L132-Y154 HydrophobicContact CG-CE1 4.46Å; L132-I163 HydrophobicContact CD1-CD1 4.03Å; L132-I163 HydrophobicContact CD2-CD1 3.31Å; L132-I163 HydrophobicContact CD2-CG1 4.45Å; L132-I163 HydrophobicContact CG-CD1 4.3Å; L132-Y197 HydrophobicContact CD1-CD1 4.33Å; L132-F199 HydrophobicContact CB-CD1 4.49Å; L132-F199 HydrophobicContact CB-CE1 4.4Å; L132-F199 HydrophobicContact CD1-CD1 4.09Å; L132-F199 HydrophobicContact CD1-CE1 3.66Å; L132-F199 HydrophobicContact CD1-CZ 3.92Å; L132-Y301 HydrophobicContact CD2-CE1 3.85Å
133Q88.2Confident85Confident31 Ų3158.3 Ų58.315%0.14531%0.314CS..EExtended strand (participates in β ladder)trans-120.8131.4178.3-176.7169.29.500109.6N137 I198Q133-N137 VanDerWaalsContact NE2-CG 3.29Å; Q133-N137 PolarHBondContact NE2-OD1 3.11Å; Q133-I198 HydrophobicContact CB-CB 4.2Å; Q133-I198 HydrophobicContact CB-CG2 4.42Å; Q133-I198 PolarHBondContact N-O 3.03Å; Q133-I198 PolarHBondContact O-N 2.75Å
134R78.7Confident85.5Confident47 Ų4760.6 Ų60.618%0.17732%0.322CS..  trans-78.4152.8171.4-83.1176.356.2154.6-3.1110.3D136 N137 E293 Y301R134-D136 WeakPolarHBondContact CB-OD1 2.84Å; R134-D136 IonicContact CZ-OD2 3.8Å; R134-D136 VanDerWaalsContact CZ-OD2 3.27Å; R134-D136 IonicContact NE-OD1 3.6Å; R134-D136 IonicContact NE-OD2 2.93Å; R134-D136 PolarHBondContact NE-OD2 3.39Å; R134-D136 IonicContact NH2-OD2 3.78Å; R134-D136 PolarHBondContact NH2-OD2 3.48Å; R134-D136 PolarHBondContact O-N 3.41Å; R134-N137 PolarHBondContact O-N 3.36Å; R134-E293 IonicContact CZ-OE1 3.01Å; R134-E293 IonicContact NH1-OE1 2.73Å; R134-E293 PolarHBondContact NH1-OE1 3.5Å; R134-E293 VanDerWaalsContact NH1-OE1 3.13Å; R134-E293 IonicContact NH2-OE1 2.75Å; R134-E293 PolarHBondContact NH2-OE1 3.29Å; R134-Y301 HydrophobicContact CG-CE1 4.23Å
135L73.6Confident85.9Confident79 Ų7960.1 Ų60.141%0.41432%0.319SS..THydrogen-bonded Turntrans-60-29.2-178.8-16673.4000113.1N137 V196 I198L135-N137 PolarHBondContact O-N 3.39Å; L135-V196 HydrophobicContact CD1-CB 4.39Å; L135-V196 HydrophobicContact CD1-CG1 4.06Å; L135-I198 HydrophobicContact CD1-CD1 4.22Å
136D71Confident86.3Confident73 Ų7358 Ų5839%0.3931%0.309SS..THydrogen-bonded Turntrans-71.5-3.5175.257.435000113.9R134 T138R134-D136 WeakPolarHBondContact CB-OD1 2.84Å; R134-D136 IonicContact CZ-OD2 3.8Å; R134-D136 VanDerWaalsContact CZ-OD2 3.27Å; R134-D136 IonicContact NE-OD1 3.6Å; R134-D136 IonicContact NE-OD2 2.93Å; R134-D136 PolarHBondContact NE-OD2 3.39Å; R134-D136 IonicContact NH2-OD2 3.78Å; R134-D136 PolarHBondContact NH2-OD2 3.48Å; R134-D136 PolarHBondContact O-N 3.41Å; D136-T138 HydrophobicContact CB-CG2 4.15Å; D136-T138 PolarHBondContact O-N 2.9Å; D136-T138 PolarHBondContact OD1-N 3.07Å; D136-T138 VanDerWaalsContact OD1-N 3.09Å; D136-T138 PolarHBondContact OD1-OG1 3.17Å
137N63.7Low86.6Confident103 Ų10356.5 Ų56.555%0.55130%0.3SS*.  trans55.415.7-179-89.78000115.2Q133 R134 L135Q133-N137 VanDerWaalsContact NE2-CG 3.29Å; Q133-N137 PolarHBondContact NE2-OD1 3.11Å; R134-N137 PolarHBondContact O-N 3.36Å; L135-N137 PolarHBondContact O-N 3.39Å
138T65.9Low86.6Confident102 Ų10253.9 Ų53.963%0.62628%0.281SS*.SBendtrans-79.4-33.4-173.858.10000112.7D136D136-T138 HydrophobicContact CB-CG2 4.15Å; D136-T138 PolarHBondContact O-N 2.9Å; D136-T138 PolarHBondContact OD1-N 3.07Å; D136-T138 VanDerWaalsContact OD1-N 3.09Å; D136-T138 PolarHBondContact OD1-OG1 3.17Å
139E74.3Confident86.3Confident125 Ų12554.2 Ų54.258%0.58428%0.284SS*.  trans-138.4138.1-177.1-71-172.6158.200112.1
140T85.8Confident86.2Confident73 Ų7352.2 Ų52.245%0.44827%0.271SS..EExtended strand (participates in β ladder)trans-118117171.7-52.70000108.2K131 L132K131-T140 HydrophobicContact CB-CG2 3.61Å; K131-T140 HydrophobicContact CD-CG2 3.78Å; K131-T140 HydrophobicContact CG-CG2 4.19Å; L132-T140 CarbonylContact O-C 3.58Å; L132-T140 WeakPolarHBondContact O-CA 3.07Å
141I91.4Very high86.2Confident39 Ų3952.3 Ų52.320%0.227%0.271CS..EExtended strand (participates in β ladder)trans-104123.8-175.2-54.2174.3000107.6K131 L132 Y154 S156K131-I141 CarbonylContact C-O 3.51Å; K131-I141 VanDerWaalsContact CA-O 3.27Å; K131-I141 WeakPolarHBondContact CA-O 3.21Å; L132-I141 PolarHBondContact N-O 3.47Å; L132-I141 PolarHBondContact O-N 2.93Å; I141-Y154 PolarHBondContact O-OH 3.23Å; I141-S156 VanDerWaalsContact CG2-CB 3.48Å
142S94Very high86.3Confident61 Ų6147.5 Ų47.543%0.42725%0.25SS..EExtended strand (participates in β ladder)trans-82.2143.7174.6-59.50000111.2Y154 S156 S157S142-Y154 PolarHBondContact O-OH 3.02Å; S142-S156 WeakPolarHBondContact O-CA 3.47Å; S142-S157 PolarHBondContact O-N 2.97Å; S142-S157 PolarHBondContact O-OG 3.39Å
143G94.9Very high86.4Confident4 Ų447.5 Ų47.54%0.04125%0.25CS..EExtended strand (participates in β ladder)trans-178.7-158.9-178.100000113.2C130 Y154 C155C130-G143 PolarHBondContact N-O 3.16Å; C130-G143 CarbonylContact O-C 3.59Å; C130-G143 PolarHBondContact O-N 3.07Å; G143-Y154 WeakPolarHBondContact CA-OH 3.41Å; G143-Y154 PolarHBondContact N-OH 3.44Å; G143-Y154 VanDerWaalsContact N-OH 3.13Å; G143-C155 CarbonylContact C-O 3.6Å; G143-C155 WeakPolarHBondContact CA-O 3.48Å
144K94.9Very high86.8Confident96 Ų9646 Ų4642%0.41724%0.244SC..EExtended strand (participates in β ladder)trans-123.4136.3178.1-79.5179.8179.4177.50110.8V128 D129 F146 Y154 C155V128-K144 CarbonylContact O-C 3.6Å; V128-K144 WeakPolarHBondContact O-CA 3.39Å; D129-K144 WeakPolarHBondContact OD1-CE 3.42Å; D129-K144 WeakPolarHBondContact OD1-CG 3.11Å; K144-F146 HydrophobicContact CB-CE1 4.47Å; K144-F146 HydrophobicContact CB-CE2 3.73Å; K144-F146 HydrophobicContact CB-CZ 3.72Å; K144-F146 HydrophobicContact CD-CZ 4.31Å; K144-F146 WeakPolarHBondContact O-CE2 3.24Å; K144-Y154 VanDerWaalsContact O-CA 3.3Å; K144-Y154 WeakPolarHBondContact O-CA 3.44Å; K144-Y154 VanDerWaalsContact O-CD2 3.27Å; K144-Y154 WeakPolarHBondContact O-CD2 3.45Å; K144-C155 PolarHBondContact N-O 3.43Å; K144-C155 PolarHBondContact O-N 2.85Å
145M95.1Very high87.6Confident4 Ų444.6 Ų44.62%0.0224%0.24CC..EExtended strand (participates in β ladder)trans-99.8138.7167.5-179.5176.172.100109.3S127 V128 C130 I152 C153 Y154 F199 I202 I208S127-M145 CarbonylContact C-O 3.57Å; S127-M145 WeakPolarHBondContact CA-O 3.16Å; V128-M145 HydrophobicContact CG2-CB 4.11Å; V128-M145 HydrophobicContact CG2-CE 3.72Å; V128-M145 PolarHBondContact N-O 3.33Å; V128-M145 PolarHBondContact O-N 3.33Å; C130-M145 VanDerWaalsContact SG-CB 3.51Å; M145-I152 HydrophobicContact CG-CG2 3.82Å; M145-I152 HydrophobicContact SD-CG2 3.8Å; M145-C153 CarbonylContact C-O 3.37Å; M145-C153 VanDerWaalsContact CA-O 3.31Å; M145-C153 WeakPolarHBondContact CA-O 3.49Å; M145-Y154 HydrophobicContact CB-CD2 4.44Å; M145-F199 HydrophobicContact SD-CD1 4.28Å; M145-F199 HydrophobicContact SD-CD2 4.24Å; M145-F199 HydrophobicContact SD-CE1 4.46Å; M145-F199 HydrophobicContact SD-CE2 4.43Å; M145-F199 HydrophobicContact SD-CG 4.16Å; M145-I202 HydrophobicContact CE-CD1 3.92Å; M145-I208 HydrophobicContact CE-CD1 3.76Å; M145-I208 HydrophobicContact CE-CG2 3.7Å
146F94.8Very high88.6Confident38 Ų3841.1 Ų41.117%0.16722%0.223CC..EExtended strand (participates in β ladder)trans-122.8135.4-178.8-55.7-90.5000108F112 F116 I124 K144 I152 C153 C155F112-F146 HydrophobicContact CD2-CB 3.67Å; F112-F146 HydrophobicContact CD2-CD1 4.2Å; F112-F146 AromaticContact CD2-CG 3.93Å; F112-F146 HydrophobicContact CD2-CG 3.93Å; F112-F146 HydrophobicContact CE2-CB 3.33Å; F112-F146 HydrophobicContact CE2-CG 4.05Å; F112-F146 HydrophobicContact CZ-CB 4.24Å; F116-F146 AromaticContact CE2-CD2 3.59Å; F116-F146 HydrophobicContact CE2-CD2 3.59Å; F116-F146 AromaticContact CE2-CE2 3.88Å; F116-F146 HydrophobicContact CE2-CE2 3.88Å; F116-F146 HydrophobicContact CE2-CG 4.19Å; F116-F146 AromaticContact CZ-CD2 3.7Å; F116-F146 HydrophobicContact CZ-CD2 3.7Å; F116-F146 AromaticContact CZ-CE2 3.86Å; F116-F146 HydrophobicContact CZ-CE2 3.86Å; I124-F146 HydrophobicContact CD1-CB 4.4Å; I124-F146 HydrophobicContact CD1-CD1 3.62Å; I124-F146 HydrophobicContact CD1-CE1 4.45Å; I124-F146 HydrophobicContact CD1-CG 4.49Å; K144-F146 HydrophobicContact CB-CE1 4.47Å; K144-F146 HydrophobicContact CB-CE2 3.73Å; K144-F146 HydrophobicContact CB-CZ 3.72Å; K144-F146 HydrophobicContact CD-CZ 4.31Å; K144-F146 WeakPolarHBondContact O-CE2 3.24Å; F146-I152 WeakPolarHBondContact O-CA 3.02Å; F146-C153 HydrophobicContact CB-CB 4.49Å; F146-C153 PolarHBondContact N-O 3.49Å; F146-C153 PolarHBondContact O-N 3.38Å; F146-C155 HydrophobicContact CE2-CB 4.21Å
147L93.8Very high89.4Confident3 Ų342.6 Ų42.62%0.01624%0.239CC..EExtended strand (participates in β ladder)trans-119.5132.9178.8-175.668.4000109.4E125 T126 I152 K211 I212E125-L147 PolarHBondContact N-O 3.04Å; T126-L147 PolarHBondContact N-O 3.37Å; T126-L147 PolarHBondContact O-N 2.92Å; T126-L147 WeakPolarHBondContact OG1-CB 3.35Å; L147-I152 HydrophobicContact CD1-CD1 4.43Å; L147-I152 HydrophobicContact CD1-CG1 3.7Å; L147-K211 HydrophobicContact CD2-CB 3.59Å; L147-K211 HydrophobicContact CD2-CD 3.89Å; L147-K211 HydrophobicContact CD2-CG 4.41Å; L147-I212 HydrophobicContact CD1-CG1 4.09Å
148S91.5Very high90.2Very high0 Ų040.9 Ų40.90%025%0.245CC..  trans-132.5173.5170.976.10000109.8E122 I123 Q150 F151E122-S148 WeakPolarHBondContact OE2-CB 3.26Å; E122-S148 PolarHBondContact OE2-OG 3.13Å; I123-S148 WeakPolarHBondContact O-CB 3.44Å; S148-Q150 VanDerWaalsContact C-N 3.27Å; S148-Q150 PolarHBondContact O-N 3.22Å; S148-F151 PolarHBondContact N-O 3.17Å; S148-F151 PolarHBondContact OG-N 2.96Å; S148-F151 PolarHBondContact OG-O 3.4Å
149P87.5Confident90.9Very high42 Ų4240.9 Ų40.927%0.27324%0.238SC..SBendtrans-53.4-39.7-178-30.636.9000114.4E122 I123E122-P149 WeakPolarHBondContact OE2-CD 3.33Å; I123-P149 VanDerWaalsContact O-CD 3.25Å; I123-P149 WeakPolarHBondContact O-CD 3.43Å
150Q90.4Very high91.4Very high67 Ų6738 Ų3831%0.31323%0.232SC..SBendtrans-116.4-1.3-177.4-56.6-63.1-37.900114.7E122 S148 L167 S219E122-Q150 VanDerWaalsContact OE1-CB 3.23Å; E122-Q150 WeakPolarHBondContact OE1-CB 3.42Å; E122-Q150 VanDerWaalsContact OE1-CG 3.23Å; E122-Q150 WeakPolarHBondContact OE1-CG 3.35Å; E122-Q150 PolarHBondContact OE2-N 2.99Å; E122-Q150 VanDerWaalsContact OE2-N 3.12Å; S148-Q150 VanDerWaalsContact C-N 3.27Å; S148-Q150 PolarHBondContact O-N 3.22Å; Q150-L167 WeakPolarHBondContact O-CD1 3.41Å; Q150-L167 PolarHBondContact O-N 3.38Å; Q150-S219 PolarHBondContact OE1-OG 3.22Å
151F94.1Very high91.6Very high8 Ų835.1 Ų35.14%0.03521%0.214CC..EExtended strand (participates in β ladder)trans-135.5147-179-59.7-89.7000114.5L118 P119 E122 S148 I164 L165 P166 L167 N331L118-F151 HydrophobicContact CD1-CB 4.39Å; L118-F151 HydrophobicContact CD1-CG 4.43Å; L118-F151 HydrophobicContact CD2-CB 4.44Å; L118-F151 HydrophobicContact CD2-CD1 3.79Å; L118-F151 HydrophobicContact CD2-CD2 4.12Å; L118-F151 HydrophobicContact CD2-CE1 4.06Å; L118-F151 HydrophobicContact CD2-CE2 4.39Å; L118-F151 HydrophobicContact CD2-CG 3.83Å; L118-F151 HydrophobicContact CD2-CZ 4.37Å; P119-F151 HydrophobicContact CG-CE2 4.47Å; E122-F151 HydrophobicContact CG-CD2 3.65Å; E122-F151 HydrophobicContact CG-CE2 3.7Å; S148-F151 PolarHBondContact N-O 3.17Å; S148-F151 PolarHBondContact OG-N 2.96Å; S148-F151 PolarHBondContact OG-O 3.4Å; F151-I164 HydrophobicContact CD1-CG2 3.91Å; F151-I164 HydrophobicContact CE1-CG2 4.43Å; F151-L165 WeakPolarHBondContact CA-O 3.47Å; F151-P166 HydrophobicContact CD1-CB 4.19Å; F151-P166 HydrophobicContact CD1-CG 4.3Å; F151-P166 HydrophobicContact CE1-CB 3.87Å; F151-P166 HydrophobicContact CE1-CG 3.95Å; F151-L167 VanDerWaalsContact C-CD1 3.49Å; F151-N331 HydrophobicContact CE1-CB 4.26Å; F151-N331 VanDerWaalsContact CE1-ND2 3.34Å; F151-N331 WeakPolarHBondContact CE1-ND2 3.4Å; F151-N331 HydrophobicContact CZ-CB 3.86Å
152I95.3Very high91.7Very high1 Ų135.3 Ų35.31%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-111.6123157.8-54.3175.4000106.7M145 F146 L147 L165 L167 I170 I189 I212M145-I152 HydrophobicContact CG-CG2 3.82Å; M145-I152 HydrophobicContact SD-CG2 3.8Å; F146-I152 WeakPolarHBondContact O-CA 3.02Å; L147-I152 HydrophobicContact CD1-CD1 4.43Å; L147-I152 HydrophobicContact CD1-CG1 3.7Å; I152-L165 HydrophobicContact CB-CB 4.21Å; I152-L165 PolarHBondContact N-O 3.07Å; I152-L165 WeakPolarHBondContact O-CA 3.5Å; I152-L165 WeakPolarHBondContact O-CB 3.29Å; I152-L165 PolarHBondContact O-N 3.02Å; I152-L167 HydrophobicContact CG1-CD1 4.12Å; I152-I170 HydrophobicContact CD1-CD1 3.57Å; I152-I170 HydrophobicContact CG1-CD1 4.3Å; I152-I189 HydrophobicContact CD1-CD1 3.58Å; I152-I212 HydrophobicContact CD1-CD1 3.67Å; I152-I212 HydrophobicContact CD1-CG1 3.8Å; I152-I212 HydrophobicContact CD1-CG2 4.17Å
153C96.1Very high91.8Very high1 Ų132.5 Ų32.51%0.00719%0.194CC..EExtended strand (participates in β ladder)trans-121.6153.5175.5-49.90000111F112 F116 M145 F146 I163F112-C153 HydrophobicContact CE2-CB 3.85Å; F112-C153 HydrophobicContact CZ-CB 4.47Å; F116-C153 HydrophobicContact CD1-CB 3.68Å; F116-C153 HydrophobicContact CD2-CB 3.73Å; F116-C153 HydrophobicContact CE1-CB 3.62Å; F116-C153 HydrophobicContact CE2-CB 3.68Å; F116-C153 HydrophobicContact CG-CB 3.73Å; F116-C153 HydrophobicContact CZ-CB 3.6Å; M145-C153 CarbonylContact C-O 3.37Å; M145-C153 VanDerWaalsContact CA-O 3.31Å; M145-C153 WeakPolarHBondContact CA-O 3.49Å; F146-C153 HydrophobicContact CB-CB 4.49Å; F146-C153 PolarHBondContact N-O 3.49Å; F146-C153 PolarHBondContact O-N 3.38Å; C153-I163 CarbonylContact C-O 3.48Å; C153-I163 VanDerWaalsContact CA-O 3.24Å; C153-I163 WeakPolarHBondContact CA-O 3.36Å
154Y96.2Very high91.8Very high1 Ų132.3 Ų32.30%0.00419%0.192CC..EExtended strand (participates in β ladder)trans-136.1138.7176.2172.1-91.4000110.4F116 L132 I141 S142 G143 K144 M145 K162 I163 F199F116-Y154 WeakPolarHBondContact CE1-O 3.4Å; L132-Y154 HydrophobicContact CB-CD1 4.32Å; L132-Y154 HydrophobicContact CB-CE1 3.78Å; L132-Y154 HydrophobicContact CB-CE2 4.1Å; L132-Y154 HydrophobicContact CD2-CD1 3.98Å; L132-Y154 HydrophobicContact CD2-CE1 3.82Å; L132-Y154 HydrophobicContact CG-CE1 4.46Å; I141-Y154 PolarHBondContact O-OH 3.23Å; S142-Y154 PolarHBondContact O-OH 3.02Å; G143-Y154 WeakPolarHBondContact CA-OH 3.41Å; G143-Y154 PolarHBondContact N-OH 3.44Å; G143-Y154 VanDerWaalsContact N-OH 3.13Å; K144-Y154 VanDerWaalsContact O-CA 3.3Å; K144-Y154 WeakPolarHBondContact O-CA 3.44Å; K144-Y154 VanDerWaalsContact O-CD2 3.27Å; K144-Y154 WeakPolarHBondContact O-CD2 3.45Å; M145-Y154 HydrophobicContact CB-CD2 4.44Å; Y154-K162 CarbonylContact O-C 3.58Å; Y154-K162 VanDerWaalsContact O-CA 3.27Å; Y154-K162 WeakPolarHBondContact O-CA 3.38Å; Y154-I163 HydrophobicContact CD1-CD1 4.43Å; Y154-I163 PolarHBondContact N-O 3.37Å; Y154-I163 PolarHBondContact O-N 3.34Å; Y154-F199 HydrophobicContact CD2-CD1 4.21Å; Y154-F199 AromaticContact CD2-CE1 3.73Å; Y154-F199 HydrophobicContact CD2-CE1 3.73Å; Y154-F199 AromaticContact CG-CE1 3.84Å; Y154-F199 HydrophobicContact CG-CE1 3.84Å
155C94.8Very high91.7Very high16 Ų1627.8 Ų27.811%0.10817%0.172CC..EExtended strand (participates in β ladder)trans-132.4130.7172.7-169.80000110.1F116 G143 K144 F146 K162F116-C155 HydrophobicContact CE1-CB 4.21Å; F116-C155 HydrophobicContact CZ-CB 3.77Å; G143-C155 CarbonylContact C-O 3.6Å; G143-C155 WeakPolarHBondContact CA-O 3.48Å; K144-C155 PolarHBondContact N-O 3.43Å; K144-C155 PolarHBondContact O-N 2.85Å; F146-C155 HydrophobicContact CE2-CB 4.21Å; C155-K162 HydrophobicContact CB-CG 4.42Å
156S94.3Very high91.6Very high6 Ų627.7 Ų27.74%0.04217%0.172CC..EExtended strand (participates in β ladder)trans-67.7156.3174.571.20000111.9I141 S142 G158 E159 S160 T161I141-S156 VanDerWaalsContact CG2-CB 3.48Å; S142-S156 WeakPolarHBondContact O-CA 3.47Å; S156-G158 PolarHBondContact O-N 3Å; S156-E159 PolarHBondContact O-N 2.8Å; S156-E159 PolarHBondContact OG-N 3.22Å; S156-S160 PolarHBondContact OG-N 3.32Å; S156-S160 PolarHBondContact OG-OG 2.99Å; S156-T161 PolarHBondContact N-O 3.36Å; S156-T161 PolarHBondContact OG-N 3.49Å; S156-T161 VanDerWaalsContact OG-N 3.1Å
157S88.2Confident91.4Very high104 Ų10426 Ų2673%0.72716%0.164SC*.THydrogen-bonded Turntrans-61.3-18.1-177.3-55.80000114.9S142S142-S157 PolarHBondContact O-N 2.97Å; S142-S157 PolarHBondContact O-OG 3.39Å
158G81.9Confident91.1Very high67 Ų6731 Ų3169%0.69118%0.183SC*.THydrogen-bonded Turntrans-109.612.8173.500000113.8S156 S160S156-G158 PolarHBondContact O-N 3Å; G158-S160 PolarHBondContact O-N 3.05Å
159E79.9Confident91Very high103 Ų10332.2 Ų32.248%0.48119%0.189SC..SBendtrans53.617.1-173.6-52.2-155.1-175.700115.9S156 T161 K162S156-E159 PolarHBondContact O-N 2.8Å; S156-E159 PolarHBondContact OG-N 3.22Å; E159-T161 PolarHBondContact O-N 3.28Å; E159-K162 WeakPolarHBondContact OE2-CE 3.44Å; E159-K162 IonicContact OE2-NZ 2.81Å; E159-K162 PolarHBondContact OE2-NZ 3.44Å
160S83.6Confident91.1Very high63 Ų6330.3 Ų30.344%0.44118%0.176SC..SBendtrans-68.4-19.8178.360.70000113.6S156 G158 N303S156-S160 PolarHBondContact OG-N 3.32Å; S156-S160 PolarHBondContact OG-OG 2.99Å; G158-S160 PolarHBondContact O-N 3.05Å; S160-N303 WeakPolarHBondContact O-CA 3.48Å
161T91Very high91Very high13 Ų1331.4 Ų31.48%0.0818%0.183CC..EExtended strand (participates in β ladder)trans-144.9125.3-179.6-57.90000110.1S156 E159 Y301 R302S156-T161 PolarHBondContact N-O 3.36Å; S156-T161 PolarHBondContact OG-N 3.49Å; S156-T161 VanDerWaalsContact OG-N 3.1Å; E159-T161 PolarHBondContact O-N 3.28Å; T161-Y301 HydrophobicContact CG2-CD1 4.17Å; T161-R302 CarbonylContact C-O 3.51Å; T161-R302 VanDerWaalsContact CA-O 3.26Å; T161-R302 WeakPolarHBondContact CA-O 3.35Å
162K94.1Very high90.7Very high44 Ų4432 Ų3219%0.19119%0.188CC..EExtended strand (participates in β ladder)trans-120.4146.6173.7-65.2-177.5-178.8-176.50110.2F116 Y154 C155 E159 R302F116-K162 HydrophobicContact CE1-CB 4.32Å; F116-K162 HydrophobicContact CE1-CD 4.48Å; F116-K162 HydrophobicContact CE1-CG 4.38Å; Y154-K162 CarbonylContact O-C 3.58Å; Y154-K162 VanDerWaalsContact O-CA 3.27Å; Y154-K162 WeakPolarHBondContact O-CA 3.38Å; C155-K162 HydrophobicContact CB-CG 4.42Å; E159-K162 WeakPolarHBondContact OE2-CE 3.44Å; E159-K162 IonicContact OE2-NZ 2.81Å; E159-K162 PolarHBondContact OE2-NZ 3.44Å; K162-R302 HydrophobicContact CB-CB 4.24Å; K162-R302 PolarHBondContact N-O 3.09Å; K162-R302 WeakPolarHBondContact O-CB 3.49Å; K162-R302 PolarHBondContact O-N 3.09Å
163I94.5Very high90.6Very high1 Ų133.1 Ų33.11%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-136.1138.1174.8-57177.7000107.9L132 C153 Y154 L165 Y197 Y301L132-I163 HydrophobicContact CD1-CD1 4.03Å; L132-I163 HydrophobicContact CD2-CD1 3.31Å; L132-I163 HydrophobicContact CD2-CG1 4.45Å; L132-I163 HydrophobicContact CG-CD1 4.3Å; C153-I163 CarbonylContact C-O 3.48Å; C153-I163 VanDerWaalsContact CA-O 3.24Å; C153-I163 WeakPolarHBondContact CA-O 3.36Å; Y154-I163 HydrophobicContact CD1-CD1 4.43Å; Y154-I163 PolarHBondContact N-O 3.37Å; Y154-I163 PolarHBondContact O-N 3.34Å; I163-L165 HydrophobicContact CG2-CD1 4.33Å; I163-L165 HydrophobicContact CG2-CD2 3.54Å; I163-L165 HydrophobicContact CG2-CG 3.71Å; I163-Y197 HydrophobicContact CD1-CD1 3.71Å; I163-Y197 HydrophobicContact CD1-CE1 3.76Å; I163-Y197 HydrophobicContact CG2-CD1 4.21Å; I163-Y197 HydrophobicContact CG2-CE1 3.76Å; I163-Y301 HydrophobicContact CD1-CD1 3.91Å; I163-Y301 HydrophobicContact CD1-CE1 3.77Å; I163-Y301 HydrophobicContact CD1-CG 4.49Å; I163-Y301 HydrophobicContact CG1-CD1 4.33Å
164I95.1Very high90.4Very high1 Ų136.9 Ų36.91%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-128.4113.5175.9-58.6159.6000106.9F116 L118 F151 P166 M298 S299 R302F116-I164 HydrophobicContact CB-CD1 4.19Å; F116-I164 HydrophobicContact CB-CG1 4.11Å; F116-I164 HydrophobicContact CD1-CD1 4.35Å; F116-I164 HydrophobicContact CD1-CG1 3.79Å; F116-I164 HydrophobicContact CG-CG1 4.36Å; F116-I164 WeakPolarHBondContact O-CD1 3.41Å; L118-I164 HydrophobicContact CD2-CG2 3.87Å; F151-I164 HydrophobicContact CD1-CG2 3.91Å; F151-I164 HydrophobicContact CE1-CG2 4.43Å; I164-P166 WeakPolarHBondContact O-CD 3.4Å; I164-M298 HydrophobicContact CB-CE 4.12Å; I164-M298 HydrophobicContact CD1-CE 3.8Å; I164-M298 HydrophobicContact CG2-CE 3.7Å; I164-M298 HydrophobicContact CG2-CG 4.42Å; I164-M298 CarbonylContact O-C 3.6Å; I164-M298 VanDerWaalsContact O-O 3.14Å; I164-S299 WeakPolarHBondContact O-CA 3.43Å; I164-R302 VanDerWaalsContact CD1-CZ 3.47Å
165L94.4Very high90.1Very high1 Ų139.5 Ų39.51%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-112.1100.9-179.3-54177.1000108.3F151 I152 I163 L167 I170 I189 T191 Y197 F199F151-L165 WeakPolarHBondContact CA-O 3.47Å; I152-L165 HydrophobicContact CB-CB 4.21Å; I152-L165 PolarHBondContact N-O 3.07Å; I152-L165 WeakPolarHBondContact O-CA 3.5Å; I152-L165 WeakPolarHBondContact O-CB 3.29Å; I152-L165 PolarHBondContact O-N 3.02Å; I163-L165 HydrophobicContact CG2-CD1 4.33Å; I163-L165 HydrophobicContact CG2-CD2 3.54Å; I163-L165 HydrophobicContact CG2-CG 3.71Å; L165-L167 PolarHBondContact O-N 2.98Å; L165-I170 HydrophobicContact CB-CD1 4.39Å; L165-I189 HydrophobicContact CD1-CD1 4.31Å; L165-I189 HydrophobicContact CD1-CG2 4.31Å; L165-T191 HydrophobicContact CD2-CG2 4.26Å; L165-Y197 HydrophobicContact CD1-CD2 4.06Å; L165-Y197 HydrophobicContact CD1-CE2 4.41Å; L165-Y197 HydrophobicContact CD1-CG 4.22Å; L165-Y197 HydrophobicContact CD2-CD2 4.12Å; L165-Y197 HydrophobicContact CD2-CE1 4.18Å; L165-Y197 HydrophobicContact CD2-CE2 3.63Å; L165-F199 HydrophobicContact CD1-CE2 4.49Å
166P92.8Very high89.6Confident2 Ų241.2 Ų41.21%0.01324%0.243CC..EExtended strand (participates in β ladder)trans-60.3131.1167.7-16.729.8000109.1F151 I164 R168 E169 M298F151-P166 HydrophobicContact CD1-CB 4.19Å; F151-P166 HydrophobicContact CD1-CG 4.3Å; F151-P166 HydrophobicContact CE1-CB 3.87Å; F151-P166 HydrophobicContact CE1-CG 3.95Å; I164-P166 WeakPolarHBondContact O-CD 3.4Å; P166-R168 HydrophobicContact CB-CG 3.82Å; P166-R168 PolarHBondContact O-N 2.57Å; P166-R168 VanDerWaalsContact O-N 3.14Å; P166-E169 HydrophobicContact CB-CG 4.25Å; P166-E169 HydrophobicContact CG-CG 4.3Å; P166-E169 PolarHBondContact O-N 2.89Å; P166-M298 HydrophobicContact CG-CB 3.99Å; P166-M298 HydrophobicContact CG-CG 3.72Å
167L91Very high88.6Confident2 Ų246.3 Ų46.31%0.0128%0.276CS..G310 helixtrans-59.3-30.2-179.6-91.692.3000112.4Q150 F151 I152 L165 E169 I170 N215 L216Q150-L167 WeakPolarHBondContact O-CD1 3.41Å; Q150-L167 PolarHBondContact O-N 3.38Å; F151-L167 VanDerWaalsContact C-CD1 3.49Å; I152-L167 HydrophobicContact CG1-CD1 4.12Å; L165-L167 PolarHBondContact O-N 2.98Å; L167-E169 PolarHBondContact O-N 2.77Å; L167-E169 VanDerWaalsContact O-N 3.14Å; L167-I170 HydrophobicContact CG-CD1 4.36Å; L167-I170 PolarHBondContact O-N 2.91Å; L167-I170 VanDerWaalsContact O-N 3.09Å; L167-N215 HydrophobicContact CD2-CB 3.3Å; L167-L216 HydrophobicContact CB-CD2 4.14Å; L167-L216 HydrophobicContact CD2-CD2 4.09Å; L167-L216 HydrophobicContact CD2-CG 4.17Å; L167-L216 HydrophobicContact CG-CD2 4.27Å; L167-L216 VanDerWaalsContact O-CD2 3.26Å; L167-L216 WeakPolarHBondContact O-CD2 3.33Å
168R87.3Confident87.6Confident108 Ų10844.8 Ų44.841%0.40826%0.257SS..G310 helixtrans-58.9-21.2173.465.3171.3-178.669.27.7114.2P166P166-R168 HydrophobicContact CB-CG 3.82Å; P166-R168 PolarHBondContact O-N 2.57Å; P166-R168 VanDerWaalsContact O-N 3.14Å
169E87.9Confident86.5Confident25 Ų2547.4 Ų47.412%0.11727%0.265CS..G310 helixtrans-94.6-8.9179.3-64.6-176.3-177.900112.9P166 L167 T191 A192 S299P166-E169 HydrophobicContact CB-CG 4.25Å; P166-E169 HydrophobicContact CG-CG 4.3Å; P166-E169 PolarHBondContact O-N 2.89Å; L167-E169 PolarHBondContact O-N 2.77Å; L167-E169 VanDerWaalsContact O-N 3.14Å; E169-T191 CarbonylContact O-C 3.54Å; E169-T191 WeakPolarHBondContact O-CA 3.29Å; E169-A192 PolarHBondContact O-N 2.94Å; E169-S299 PolarHBondContact OE2-OG 3.45Å
170I90.9Very high85.4Confident3 Ų347.7 Ų47.72%0.01527%0.269CS..EExtended strand (participates in β ladder)trans-83.9123.9-177.7-62175.3000109.6I152 L165 L167 I189 L216 R220I152-I170 HydrophobicContact CD1-CD1 3.57Å; I152-I170 HydrophobicContact CG1-CD1 4.3Å; L165-I170 HydrophobicContact CB-CD1 4.39Å; L167-I170 HydrophobicContact CG-CD1 4.36Å; L167-I170 PolarHBondContact O-N 2.91Å; L167-I170 VanDerWaalsContact O-N 3.09Å; I170-I189 HydrophobicContact CB-CG2 4.41Å; I170-I189 HydrophobicContact CD1-CG2 3.9Å; I170-I189 HydrophobicContact CG1-CG2 3.87Å; I170-I189 HydrophobicContact CG2-CG2 3.77Å; I170-L216 HydrophobicContact CB-CD2 3.81Å; I170-L216 HydrophobicContact CG2-CD1 4.05Å; I170-L216 HydrophobicContact CG2-CD2 4.05Å; I170-R220 PolarHBondContact O-NH2 2.7Å
171I88.3Confident84.1Confident89 Ų8951 Ų5146%0.45629%0.293SS..EExtended strand (participates in β ladder)trans-84.7-50174-66.6-179.4000110.4I190 A192 R220I171-I190 PolarHBondContact N-O 2.95Å; I171-A192 HydrophobicContact CD1-CB 4.44Å; I171-A192 HydrophobicContact CG1-CB 4.47Å; I171-R220 PolarHBondContact O-NH2 3.02Å
172S88.2Confident82.5Confident20 Ų2054.8 Ų54.814%0.1432%0.316CS..EExtended strand (participates in β ladder)trans-141146.1-178.3-170.10000111.2E174 I189 I190S172-E174 WeakPolarHBondContact OG-CG 3.23Å; S172-E174 PolarHBondContact OG-OE1 2.78Å; S172-I189 WeakPolarHBondContact O-CA 3.15Å; S172-I190 PolarHBondContact N-O 2.87Å; S172-I190 PolarHBondContact O-N 2.84Å
173A91.8Very high81.2Confident25 Ų2558.1 Ų58.121%0.20735%0.345CS..EExtended strand (participates in β ladder)trans-135112.9170.100000108.4I188 I189 L209 I212 L216A173-I188 CarbonylContact C-O 3.59Å; A173-I188 VanDerWaalsContact CA-O 3.32Å; A173-I188 WeakPolarHBondContact CA-O 3.14Å; A173-I189 HydrophobicContact CB-CG1 4.42Å; A173-L209 HydrophobicContact CB-CD2 4.43Å; A173-I212 HydrophobicContact CB-CG2 3.62Å; A173-L216 HydrophobicContact CB-CD1 4.45Å
174E91.4Very high80.2Confident81 Ų8159 Ų5938%0.37935%0.353SS..EExtended strand (participates in β ladder)trans-129161.7-171.6-72.5169.4-145.300111.6S172 F176 V187 I188S172-E174 WeakPolarHBondContact OG-CG 3.23Å; S172-E174 PolarHBondContact OG-OE1 2.78Å; E174-F176 PolarHBondContact O-N 3.11Å; E174-V187 CarbonylContact O-C 3.58Å; E174-V187 WeakPolarHBondContact O-CA 3.5Å; E174-I188 HydrophobicContact CB-CG2 3.8Å; E174-I188 PolarHBondContact N-O 3.32Å; E174-I188 WeakPolarHBondContact O-CG2 3.5Å; E174-I188 PolarHBondContact O-N 2.97Å
175A90Very high79.8Confident55 Ų5559.4 Ų59.446%0.45536%0.356SS..EExtended strand (participates in β ladder)trans-69128.5173.100000110.5P177 F205 L209A175-P177 WeakPolarHBondContact O-CD 3.34Å; A175-F205 HydrophobicContact CB-CD2 4.5Å; A175-F205 HydrophobicContact CB-CE2 3.81Å; A175-L209 HydrophobicContact CB-CD1 3.77Å
176F85.6Confident79.5Confident52 Ų5259.3 Ų59.323%0.22836%0.356CS..EExtended strand (participates in β ladder)trans-93.2114.7173.6-175.3-101000109.7E174 Q178 G186 I188 I198 T200E174-F176 PolarHBondContact O-N 3.11Å; F176-Q178 HydrophobicContact CD1-CG 4.32Å; F176-Q178 PolarHBondContact O-N 3.35Å; F176-G186 PolarHBondContact N-O 3.2Å; F176-I188 HydrophobicContact CB-CB 4.39Å; F176-I188 HydrophobicContact CD2-CB 4.39Å; F176-I198 HydrophobicContact CD1-CG2 3.88Å; F176-I198 HydrophobicContact CD2-CG2 3.93Å; F176-I198 HydrophobicContact CE1-CG2 3.98Å; F176-I198 HydrophobicContact CE2-CD1 4.18Å; F176-I198 HydrophobicContact CE2-CG2 4.04Å; F176-I198 HydrophobicContact CG-CG2 3.84Å; F176-I198 HydrophobicContact CZ-CG2 4.06Å; F176-T200 HydrophobicContact CD1-CG2 4.23Å; F176-T200 HydrophobicContact CE1-CG2 4.4Å
177P72.4Confident79.5Confident113 Ų11359.2 Ų59.273%0.73436%0.355SS*.  trans-69.8122.4-176.524.9-30.4000111.1A175A175-P177 WeakPolarHBondContact O-CD 3.34Å
178Q68.5Low79.5Confident73 Ų7359.9 Ų59.934%0.34136%0.359SS..  trans-102.5144.6170.2-67.2-164.4-21.400110.6F176 D180F176-Q178 HydrophobicContact CD1-CG 4.32Å; F176-Q178 PolarHBondContact O-N 3.35Å; Q178-D180 PolarHBondContact O-N 2.83Å
179S58.4Low79.8Confident121 Ų12154.7 Ų54.785%0.84634%0.339SS*.SBendtrans-72.2-12.5-179.352.20000114.2
180D57.2Low80Confident109 Ų10954.9 Ų54.958%0.58334%0.341SS*.SBendtrans-104.5133.2-166.5-660.7000111.2Q178 T182Q178-D180 PolarHBondContact O-N 2.83Å; D180-T182 PolarHBondContact O-N 3.03Å
181S54.7Low79.9Confident133 Ų13354.8 Ų54.893%0.9334%0.34SS*.  trans-75.632.1-174.263.10000114.6
182T59.3Low79.8Confident93 Ų9353.5 Ų53.557%0.57134%0.343SS*.SBendtrans-91.7150.3175.144.90000109.9D180 A184D180-T182 PolarHBondContact O-N 3.03Å; T182-A184 PolarHBondContact O-N 3.31Å
183S65.8Low79.4Confident113 Ų11355.3 Ų55.379%0.7935%0.349SS*.SBendtrans-63.89.5179.9-29.20000114.7
184A74.2Confident78.9Confident21 Ų2161.5 Ų61.517%0.17437%0.371CS..EExtended strand (participates in β ladder)trans-105.9125.5-178.800000108.7T182 I202 V203T182-A184 PolarHBondContact O-N 3.31Å; A184-I202 WeakPolarHBondContact CA-O 3.39Å; A184-V203 HydrophobicContact CB-CG2 4.48Å
185G85.1Confident78.7Confident8 Ų859.2 Ų59.28%0.08236%0.361CS..EExtended strand (participates in β ladder)trans-110.7-168.4177.900000112.1G201 I202 F205G185-G201 PolarHBondContact O-N 2.76Å; G185-G201 VanDerWaalsContact O-N 3.07Å; G185-I202 PolarHBondContact N-O 2.91Å; G185-I202 PolarHBondContact O-N 3.34Å; G185-F205 VanDerWaalsContact CA-CD1 3.47Å
186G88.9Confident78.7Confident0 Ų058 Ų580%035%0.349CS..EExtended strand (participates in β ladder)trans-129.7162.6171.400000112.7F176 F199F176-G186 PolarHBondContact N-O 3.2Å; G186-F199 CarbonylContact C-O 3.59Å; G186-F199 WeakPolarHBondContact CA-O 3.38Å
187V92.2Very high79Confident0 Ų055.6 Ų55.60%034%0.338CS..EExtended strand (participates in β ladder)trans-127.4127.4176.1175.60000107.8E174 I189 F199 I202 F205 L209 I212E174-V187 CarbonylContact O-C 3.58Å; E174-V187 WeakPolarHBondContact O-CA 3.5Å; V187-I189 HydrophobicContact CG1-CD1 4.3Å; V187-I189 HydrophobicContact CG1-CG1 3.85Å; V187-F199 PolarHBondContact N-O 2.92Å; V187-F199 PolarHBondContact O-N 2.88Å; V187-I202 HydrophobicContact CB-CD1 4.29Å; V187-I202 HydrophobicContact CG2-CD1 3.95Å; V187-F205 HydrophobicContact CG2-CB 4.35Å; V187-L209 HydrophobicContact CB-CD2 4.38Å; V187-L209 HydrophobicContact CG1-CD2 3.7Å; V187-L209 HydrophobicContact CG1-CG 4.5Å; V187-L209 HydrophobicContact CG2-CD1 4.37Å; V187-L209 HydrophobicContact CG2-CD2 3.95Å; V187-L209 HydrophobicContact CG2-CG 3.83Å; V187-I212 HydrophobicContact CG1-CD1 4.43Å
188I92.7Very high80Confident15 Ų1550.4 Ų50.48%0.07730%0.304CS..EExtended strand (participates in β ladder)trans-103128.6171.1-174168.4000109A173 E174 F176 V196 Y197 I198 F237A173-I188 CarbonylContact C-O 3.59Å; A173-I188 VanDerWaalsContact CA-O 3.32Å; A173-I188 WeakPolarHBondContact CA-O 3.14Å; E174-I188 HydrophobicContact CB-CG2 3.8Å; E174-I188 PolarHBondContact N-O 3.32Å; E174-I188 WeakPolarHBondContact O-CG2 3.5Å; E174-I188 PolarHBondContact O-N 2.97Å; F176-I188 HydrophobicContact CB-CB 4.39Å; F176-I188 HydrophobicContact CD2-CB 4.39Å; I188-V196 HydrophobicContact CD1-CG1 3.72Å; I188-V196 HydrophobicContact CG1-CG1 3.77Å; I188-Y197 CarbonylContact C-O 3.21Å; I188-Y197 WeakPolarHBondContact CA-O 3.4Å; I188-I198 HydrophobicContact CD1-CG1 4.25Å; I188-I198 HydrophobicContact CG1-CG1 4.17Å; I188-F237 HydrophobicContact CD1-CZ 4.19Å
189I92.9Very high81.2Confident0 Ų047 Ų470%029%0.288CS..EExtended strand (participates in β ladder)trans-119.3129.5179.5-55.2-172.3000108.7I152 L165 I170 S172 A173 V187 V196 Y197 F199 I212I152-I189 HydrophobicContact CD1-CD1 3.58Å; L165-I189 HydrophobicContact CD1-CD1 4.31Å; L165-I189 HydrophobicContact CD1-CG2 4.31Å; I170-I189 HydrophobicContact CB-CG2 4.41Å; I170-I189 HydrophobicContact CD1-CG2 3.9Å; I170-I189 HydrophobicContact CG1-CG2 3.87Å; I170-I189 HydrophobicContact CG2-CG2 3.77Å; S172-I189 WeakPolarHBondContact O-CA 3.15Å; A173-I189 HydrophobicContact CB-CG1 4.42Å; V187-I189 HydrophobicContact CG1-CD1 4.3Å; V187-I189 HydrophobicContact CG1-CG1 3.85Å; I189-V196 WeakPolarHBondContact O-CA 3.39Å; I189-Y197 PolarHBondContact N-O 3.1Å; I189-Y197 PolarHBondContact O-N 2.86Å; I189-F199 HydrophobicContact CD1-CD2 4.2Å; I189-F199 HydrophobicContact CD1-CE2 3.92Å; I189-F199 HydrophobicContact CG1-CD2 4.44Å; I189-F199 HydrophobicContact CG1-CE2 4.39Å; I189-I212 HydrophobicContact CD1-CD1 4.43Å
190I91.4Very high82.7Confident28 Ų2841.6 Ų41.614%0.14425%0.25CC..EExtended strand (participates in β ladder)trans-116.7127.3176.6-53.9177.9000108.5I171 S172 L195 V196I171-I190 PolarHBondContact N-O 2.95Å; S172-I190 PolarHBondContact N-O 2.87Å; S172-I190 PolarHBondContact O-N 2.84Å; I190-L195 WeakPolarHBondContact CA-O 3.12Å; I190-V196 HydrophobicContact CG1-CG2 4.37Å
191T90.1Very high84.2Confident1 Ų138 Ų381%0.00624%0.238CC..EExtended strand (participates in β ladder)trans-97.1169179.960.70000112.8L165 E169 E193 K194 L195 Y197L165-T191 HydrophobicContact CD2-CG2 4.26Å; E169-T191 CarbonylContact O-C 3.54Å; E169-T191 WeakPolarHBondContact O-CA 3.29Å; T191-E193 PolarHBondContact O-N 3.4Å; T191-K194 WeakPolarHBondContact O-CA 3.4Å; T191-K194 PolarHBondContact O-N 2.99Å; T191-L195 PolarHBondContact N-O 3.28Å; T191-L195 WeakPolarHBondContact OG1-CB 3.32Å; T191-L195 PolarHBondContact OG1-N 2.65Å; T191-L195 VanDerWaalsContact OG1-N 3.15Å; T191-L195 PolarHBondContact OG1-O 2.89Å; T191-Y197 HydrophobicContact CG2-CD2 4.25Å; T191-Y197 HydrophobicContact CG2-CE2 3.64Å
192A84.6Confident85.9Confident62 Ų6231.6 Ų31.651%0.51219%0.194SC..THydrogen-bonded Turntrans-57.8-33.3174.900000113.4E169 I171 K194E169-A192 PolarHBondContact O-N 2.94Å; I171-A192 HydrophobicContact CD1-CB 4.44Å; I171-A192 HydrophobicContact CG1-CB 4.47Å; A192-K194 PolarHBondContact O-N 3.25Å
193E79.8Confident87.2Confident59 Ų5932.5 Ų32.528%0.27620%0.199SC..THydrogen-bonded Turntrans-79.810.5173.9-61.6-16417700113.2T191 L195 S296T191-E193 PolarHBondContact O-N 3.4Å; E193-L195 HydrophobicContact CB-CD1 4.5Å; E193-L195 HydrophobicContact CB-CG 4.38Å; E193-L195 PolarHBondContact O-N 2.52Å; E193-S296 VanDerWaalsContact OE2-C 3.27Å; E193-S296 PolarHBondContact OE2-N 3.33Å; E193-S296 PolarHBondContact OE2-OG 3.04Å
194K82.3Confident88.2Confident154 Ų15428.7 Ų28.767%0.6718%0.178SC*.  trans6119.6-177.9-53179.6-179.4176.50114T191 A192T191-K194 WeakPolarHBondContact O-CA 3.4Å; T191-K194 PolarHBondContact O-N 2.99Å; A192-K194 PolarHBondContact O-N 3.25Å
195L86.8Confident88.9Confident33 Ų3329.8 Ų29.817%0.17318%0.179CC..  trans-73.4137.6169.4-59.2169.7000109.4I190 T191 E193 Y197I190-L195 WeakPolarHBondContact CA-O 3.12Å; T191-L195 PolarHBondContact N-O 3.28Å; T191-L195 WeakPolarHBondContact OG1-CB 3.32Å; T191-L195 PolarHBondContact OG1-N 2.65Å; T191-L195 VanDerWaalsContact OG1-N 3.15Å; T191-L195 PolarHBondContact OG1-O 2.89Å; E193-L195 HydrophobicContact CB-CD1 4.5Å; E193-L195 HydrophobicContact CB-CG 4.38Å; E193-L195 PolarHBondContact O-N 2.52Å; L195-Y197 HydrophobicContact CB-CE2 3.7Å; L195-Y197 VanDerWaalsContact CD1-OH 3.23Å; L195-Y197 WeakPolarHBondContact CD1-OH 3.49Å
196V89.8Confident89.1Confident31 Ų3136 Ų3619%0.18821%0.205CC..EExtended strand (participates in β ladder)trans-115.7121.9-177.3-1760000109.5L135 I188 I189 I190 I198L135-V196 HydrophobicContact CD1-CB 4.39Å; L135-V196 HydrophobicContact CD1-CG1 4.06Å; I188-V196 HydrophobicContact CD1-CG1 3.72Å; I188-V196 HydrophobicContact CG1-CG1 3.77Å; I189-V196 WeakPolarHBondContact O-CA 3.39Å; I190-V196 HydrophobicContact CG1-CG2 4.37Å; V196-I198 HydrophobicContact CG1-CG1 4.24Å
197Y92.1Very high89.1Confident0 Ų041.3 Ų41.30%023%0.234CC..EExtended strand (participates in β ladder)trans-113.2124.8176.8-53.7-91.8000109.2L132 I163 L165 I188 I189 T191 L195 S299 Y301L132-Y197 HydrophobicContact CD1-CD1 4.33Å; I163-Y197 HydrophobicContact CD1-CD1 3.71Å; I163-Y197 HydrophobicContact CD1-CE1 3.76Å; I163-Y197 HydrophobicContact CG2-CD1 4.21Å; I163-Y197 HydrophobicContact CG2-CE1 3.76Å; L165-Y197 HydrophobicContact CD1-CD2 4.06Å; L165-Y197 HydrophobicContact CD1-CE2 4.41Å; L165-Y197 HydrophobicContact CD1-CG 4.22Å; L165-Y197 HydrophobicContact CD2-CD2 4.12Å; L165-Y197 HydrophobicContact CD2-CE1 4.18Å; L165-Y197 HydrophobicContact CD2-CE2 3.63Å; I188-Y197 CarbonylContact C-O 3.21Å; I188-Y197 WeakPolarHBondContact CA-O 3.4Å; I189-Y197 PolarHBondContact N-O 3.1Å; I189-Y197 PolarHBondContact O-N 2.86Å; T191-Y197 HydrophobicContact CG2-CD2 4.25Å; T191-Y197 HydrophobicContact CG2-CE2 3.64Å; L195-Y197 HydrophobicContact CB-CE2 3.7Å; L195-Y197 VanDerWaalsContact CD1-OH 3.23Å; L195-Y197 WeakPolarHBondContact CD1-OH 3.49Å; Y197-S299 PolarHBondContact OH-O 2.66Å; Y197-Y301 HydrophobicContact CD1-CE2 4.18Å; Y197-Y301 AromaticContact CD1-CZ 3.94Å; Y197-Y301 HydrophobicContact CE1-CD2 4.19Å; Y197-Y301 AromaticContact CE1-CE2 3.52Å; Y197-Y301 HydrophobicContact CE1-CE2 3.52Å; Y197-Y301 AromaticContact CE1-CZ 3.74Å
198I92.8Very high88.9Confident5 Ų541.7 Ų41.73%0.02624%0.236CC..EExtended strand (participates in β ladder)trans-111.8109.6178.1-54.9172.4000107.6Q133 L135 F176 I188 V196 T200Q133-I198 HydrophobicContact CB-CB 4.2Å; Q133-I198 HydrophobicContact CB-CG2 4.42Å; Q133-I198 PolarHBondContact N-O 3.03Å; Q133-I198 PolarHBondContact O-N 2.75Å; L135-I198 HydrophobicContact CD1-CD1 4.22Å; F176-I198 HydrophobicContact CD1-CG2 3.88Å; F176-I198 HydrophobicContact CD2-CG2 3.93Å; F176-I198 HydrophobicContact CE1-CG2 3.98Å; F176-I198 HydrophobicContact CE2-CD1 4.18Å; F176-I198 HydrophobicContact CE2-CG2 4.04Å; F176-I198 HydrophobicContact CG-CG2 3.84Å; F176-I198 HydrophobicContact CZ-CG2 4.06Å; I188-I198 HydrophobicContact CD1-CG1 4.25Å; I188-I198 HydrophobicContact CG1-CG1 4.17Å; V196-I198 HydrophobicContact CG1-CG1 4.24Å; I198-T200 HydrophobicContact CG2-CG2 3.97Å
199F93.4Very high88.8Confident0 Ų042.4 Ų42.40%024%0.24CC..EExtended strand (participates in β ladder)trans-97132.5173-61.3-82.3000109.6K131 L132 M145 Y154 L165 G186 V187 I189 I202K131-F199 CarbonylContact O-C 3.59Å; K131-F199 WeakPolarHBondContact O-CA 3.33Å; L132-F199 HydrophobicContact CB-CD1 4.49Å; L132-F199 HydrophobicContact CB-CE1 4.4Å; L132-F199 HydrophobicContact CD1-CD1 4.09Å; L132-F199 HydrophobicContact CD1-CE1 3.66Å; L132-F199 HydrophobicContact CD1-CZ 3.92Å; M145-F199 HydrophobicContact SD-CD1 4.28Å; M145-F199 HydrophobicContact SD-CD2 4.24Å; M145-F199 HydrophobicContact SD-CE1 4.46Å; M145-F199 HydrophobicContact SD-CE2 4.43Å; M145-F199 HydrophobicContact SD-CG 4.16Å; Y154-F199 HydrophobicContact CD2-CD1 4.21Å; Y154-F199 AromaticContact CD2-CE1 3.73Å; Y154-F199 HydrophobicContact CD2-CE1 3.73Å; Y154-F199 AromaticContact CG-CE1 3.84Å; Y154-F199 HydrophobicContact CG-CE1 3.84Å; L165-F199 HydrophobicContact CD1-CE2 4.49Å; G186-F199 CarbonylContact C-O 3.59Å; G186-F199 WeakPolarHBondContact CA-O 3.38Å; V187-F199 PolarHBondContact N-O 2.92Å; V187-F199 PolarHBondContact O-N 2.88Å; I189-F199 HydrophobicContact CD1-CD2 4.2Å; I189-F199 HydrophobicContact CD1-CE2 3.92Å; I189-F199 HydrophobicContact CG1-CD2 4.44Å; I189-F199 HydrophobicContact CG1-CE2 4.39Å; F199-I202 HydrophobicContact CB-CD1 3.75Å
200T91.8Very high88.6Confident8 Ų850 Ų505%0.04927%0.273CS..EExtended strand (participates in β ladder)trans-131.8158-173.653.80000111.6K131 F176 I198 I202K131-T200 WeakPolarHBondContact CB-OG1 3.32Å; K131-T200 PolarHBondContact N-O 3.16Å; K131-T200 PolarHBondContact O-N 2.88Å; K131-T200 PolarHBondContact O-OG1 3.42Å; K131-T200 VanDerWaalsContact O-OG1 3.08Å; F176-T200 HydrophobicContact CD1-CG2 4.23Å; F176-T200 HydrophobicContact CE1-CG2 4.4Å; I198-T200 HydrophobicContact CG2-CG2 3.97Å; T200-I202 VanDerWaalsContact C-N 3.35Å
201G88.6Confident88.4Confident33 Ų3352.2 Ų52.234%0.3428%0.281SS..EExtended strand (participates in β ladder)trans75.123.3177.600000114G185G185-G201 PolarHBondContact O-N 2.76Å; G185-G201 VanDerWaalsContact O-N 3.07Å
202I89.6Confident88.4Confident0 Ų052.1 Ų52.10%028%0.281CS..EExtended strand (participates in β ladder)trans-83.9115.6-179.2-62.9168.9000109.2V128 C130 M145 A184 G185 V187 F199 T200 F205 I208V128-I202 HydrophobicContact CG2-CG2 4.4Å; C130-I202 HydrophobicContact CB-CD1 4.34Å; C130-I202 HydrophobicContact CB-CG1 3.62Å; M145-I202 HydrophobicContact CE-CD1 3.92Å; A184-I202 WeakPolarHBondContact CA-O 3.39Å; G185-I202 PolarHBondContact N-O 2.91Å; G185-I202 PolarHBondContact O-N 3.34Å; V187-I202 HydrophobicContact CB-CD1 4.29Å; V187-I202 HydrophobicContact CG2-CD1 3.95Å; F199-I202 HydrophobicContact CB-CD1 3.75Å; T200-I202 VanDerWaalsContact C-N 3.35Å; I202-F205 HydrophobicContact CB-CB 3.96Å; I202-F205 HydrophobicContact CG2-CB 3.8Å; I202-I208 HydrophobicContact CG2-CD1 3.42Å; I202-I208 VanDerWaalsContact CG2-CD1 3.42Å; I202-I208 HydrophobicContact CG2-CG1 4.27Å
203V87.4Confident88.5Confident112 Ų11250.6 Ų50.668%0.67927%0.271SS*.EExtended strand (participates in β ladder)trans-73.7125.4169.8-177.90000108.9A184A184-V203 HydrophobicContact CB-CG2 4.48Å
204G85.9Confident88.7Confident33 Ų3350.3 Ų50.334%0.3428%0.276SS..THydrogen-bonded Turntrans74.533.7-17700000114.1E206 D207G204-E206 PolarHBondContact O-N 2.94Å; G204-E206 VanDerWaalsContact O-N 3.15Å; G204-D207 PolarHBondContact O-N 3.45Å; G204-D207 VanDerWaalsContact O-N 3.12Å
205F88.9Confident88.6Confident43 Ų4344 Ų4419%0.18925%0.25CC..Hα-helixtrans-57.1-28.8-176.678.7-80.6000114.4A175 G185 V187 I202 I208 L209A175-F205 HydrophobicContact CB-CD2 4.5Å; A175-F205 HydrophobicContact CB-CE2 3.81Å; G185-F205 VanDerWaalsContact CA-CD1 3.47Å; V187-F205 HydrophobicContact CG2-CB 4.35Å; I202-F205 HydrophobicContact CB-CB 3.96Å; I202-F205 HydrophobicContact CG2-CB 3.8Å; F205-I208 PolarHBondContact O-N 3.1Å; F205-L209 HydrophobicContact CD2-CD1 3.76Å; F205-L209 HydrophobicContact CE2-CD1 4.01Å; F205-L209 PolarHBondContact O-N 2.96Å
206E89.6Confident88.3Confident138 Ų13843.2 Ų43.265%0.64525%0.245SC*.Hα-helixtrans-62.6-40.5176.8-63.1-175.6170.800112.1G204 I208 L209 K210G204-E206 PolarHBondContact O-N 2.94Å; G204-E206 VanDerWaalsContact O-N 3.15Å; E206-I208 VanDerWaalsContact C-N 3.31Å; E206-I208 PolarHBondContact O-N 3Å; E206-L209 PolarHBondContact O-N 3.27Å; E206-K210 WeakPolarHBondContact O-CB 3.42Å; E206-K210 PolarHBondContact O-N 3.33Å
207D88.4Confident87.5Confident112 Ų11249 Ų4960%0.59927%0.27SS*.Hα-helixtrans-65.9-37.5176.6-71.6-36.9000111.1G204 K210 K211G204-D207 PolarHBondContact O-N 3.45Å; G204-D207 VanDerWaalsContact O-N 3.12Å; D207-K210 PolarHBondContact O-N 2.93Å; D207-K211 WeakPolarHBondContact O-CG 3.39Å; D207-K211 PolarHBondContact O-N 3.49Å
208I88.6Confident86.3Confident8 Ų854.1 Ų54.14%0.04130%0.301CS..Hα-helixtrans-66.5-48.4175.9-57.3-165000110.5V128 M145 I202 F205 E206 K210 K211 I212V128-I208 HydrophobicContact CB-CD1 4.17Å; V128-I208 HydrophobicContact CG1-CD1 3.73Å; V128-I208 HydrophobicContact CG2-CD1 3.47Å; V128-I208 VanDerWaalsContact CG2-CD1 3.47Å; M145-I208 HydrophobicContact CE-CD1 3.76Å; M145-I208 HydrophobicContact CE-CG2 3.7Å; I202-I208 HydrophobicContact CG2-CD1 3.42Å; I202-I208 VanDerWaalsContact CG2-CD1 3.42Å; I202-I208 HydrophobicContact CG2-CG1 4.27Å; F205-I208 PolarHBondContact O-N 3.1Å; E206-I208 VanDerWaalsContact C-N 3.31Å; E206-I208 PolarHBondContact O-N 3Å; I208-K210 PolarHBondContact O-N 3.43Å; I208-K211 PolarHBondContact O-N 3.43Å; I208-K211 VanDerWaalsContact O-N 3.13Å; I208-I212 HydrophobicContact CG2-CD1 3.77Å; I208-I212 HydrophobicContact CG2-CG1 4.26Å; I208-I212 WeakPolarHBondContact O-CG1 3.26Å; I208-I212 PolarHBondContact O-N 3.05Å
209L90.2Very high84.8Confident30 Ų3055.7 Ų55.716%0.15731%0.313CS..Hα-helixtrans-57-41.5176.3-81.2171.7000111.6A173 A175 V187 F205 E206 I212 G213A173-L209 HydrophobicContact CB-CD2 4.43Å; A175-L209 HydrophobicContact CB-CD1 3.77Å; V187-L209 HydrophobicContact CB-CD2 4.38Å; V187-L209 HydrophobicContact CG1-CD2 3.7Å; V187-L209 HydrophobicContact CG1-CG 4.5Å; V187-L209 HydrophobicContact CG2-CD1 4.37Å; V187-L209 HydrophobicContact CG2-CD2 3.95Å; V187-L209 HydrophobicContact CG2-CG 3.83Å; F205-L209 HydrophobicContact CD2-CD1 3.76Å; F205-L209 HydrophobicContact CE2-CD1 4.01Å; F205-L209 PolarHBondContact O-N 2.96Å; E206-L209 PolarHBondContact O-N 3.27Å; L209-I212 PolarHBondContact O-N 2.82Å; L209-G213 PolarHBondContact O-N 3.38Å
210K89.3Confident83.5Confident160 Ų16061.8 Ų61.870%0.69634%0.336SS*.Hα-helixtrans-62-43.7176.5-172.6178.5178.9-178.60112E206 D207 I208 G213 S214E206-K210 WeakPolarHBondContact O-CB 3.42Å; E206-K210 PolarHBondContact O-N 3.33Å; D207-K210 PolarHBondContact O-N 2.93Å; I208-K210 PolarHBondContact O-N 3.43Å; K210-G213 PolarHBondContact O-N 2.98Å; K210-S214 PolarHBondContact O-N 3.29Å; K210-S214 PolarHBondContact O-OG 3.49Å
211K87.1Confident81.3Confident74 Ų7463.4 Ų63.432%0.32235%0.354SS..Hα-helixtrans-66.2-42.2176.5-72.2-176.5179.1-164.40112.7T126 L147 D207 I208 G213 S214 N215T126-K211 HydrophobicContact CG2-CD 4.28Å; L147-K211 HydrophobicContact CD2-CB 3.59Å; L147-K211 HydrophobicContact CD2-CD 3.89Å; L147-K211 HydrophobicContact CD2-CG 4.41Å; D207-K211 WeakPolarHBondContact O-CG 3.39Å; D207-K211 PolarHBondContact O-N 3.49Å; I208-K211 PolarHBondContact O-N 3.43Å; I208-K211 VanDerWaalsContact O-N 3.13Å; K211-G213 VanDerWaalsContact C-N 3.33Å; K211-S214 WeakPolarHBondContact CA-OG 3.3Å; K211-S214 PolarHBondContact O-N 3.44Å; K211-S214 PolarHBondContact O-OG 3.27Å; K211-N215 WeakPolarHBondContact O-CB 3.18Å; K211-N215 VanDerWaalsContact O-CG 3.25Å; K211-N215 PolarHBondContact O-N 3.24Å; K211-N215 PolarHBondContact O-OD1 3.5Å
212I88.8Confident78.5Confident0 Ų068.7 Ų68.70%038%0.38CS..Hα-helixtrans-60.4-48.1174.5-65169.1000109.2L147 I152 A173 V187 I189 I208 L209 S214 N215 L216L147-I212 HydrophobicContact CD1-CG1 4.09Å; I152-I212 HydrophobicContact CD1-CD1 3.67Å; I152-I212 HydrophobicContact CD1-CG1 3.8Å; I152-I212 HydrophobicContact CD1-CG2 4.17Å; A173-I212 HydrophobicContact CB-CG2 3.62Å; V187-I212 HydrophobicContact CG1-CD1 4.43Å; I189-I212 HydrophobicContact CD1-CD1 4.43Å; I208-I212 HydrophobicContact CG2-CD1 3.77Å; I208-I212 HydrophobicContact CG2-CG1 4.26Å; I208-I212 WeakPolarHBondContact O-CG1 3.26Å; I208-I212 PolarHBondContact O-N 3.05Å; L209-I212 PolarHBondContact O-N 2.82Å; I212-S214 PolarHBondContact O-N 3.48Å; I212-N215 PolarHBondContact O-N 3.01Å; I212-L216 HydrophobicContact CG2-CD1 3.75Å; I212-L216 HydrophobicContact CG2-CG 4.13Å; I212-L216 WeakPolarHBondContact O-CB 3.17Å; I212-L216 VanDerWaalsContact O-CG 3.24Å; I212-L216 WeakPolarHBondContact O-CG 3.38Å; I212-L216 PolarHBondContact O-N 3.43Å
213G87.2Confident75.5Confident30 Ų3077.7 Ų77.731%0.30942%0.419SS..Hα-helixtrans-56.6-49.3177.700000113L209 K210 K211 N215 L216 E217L209-G213 PolarHBondContact O-N 3.38Å; K210-G213 PolarHBondContact O-N 2.98Å; K211-G213 VanDerWaalsContact C-N 3.33Å; G213-N215 VanDerWaalsContact C-N 3.33Å; G213-N215 PolarHBondContact O-N 3.16Å; G213-L216 PolarHBondContact O-N 2.92Å; G213-E217 PolarHBondContact O-N 3.3Å; G213-E217 VanDerWaalsContact O-N 3.09Å
214S83.6Confident72.7Confident53 Ų5378.1 Ų78.137%0.37143%0.427SS..Hα-helixtrans-61.6-40.7178580000112.6K210 K211 I212 E217 V218K210-S214 PolarHBondContact O-N 3.29Å; K210-S214 PolarHBondContact O-OG 3.49Å; K211-S214 WeakPolarHBondContact CA-OG 3.3Å; K211-S214 PolarHBondContact O-N 3.44Å; K211-S214 PolarHBondContact O-OG 3.27Å; I212-S214 PolarHBondContact O-N 3.48Å; S214-E217 PolarHBondContact O-N 2.84Å; S214-V218 WeakPolarHBondContact O-CG2 3.45Å; S214-V218 PolarHBondContact O-N 3.12Å
215N80.1Confident69.9Low22 Ų2284.6 Ų84.612%0.11845%0.448CS..Hα-helixtrans-73.4-33.3-179-65.4-0.8000111.3L167 K211 I212 G213 V218 S219L167-N215 HydrophobicContact CD2-CB 3.3Å; K211-N215 WeakPolarHBondContact O-CB 3.18Å; K211-N215 VanDerWaalsContact O-CG 3.25Å; K211-N215 PolarHBondContact O-N 3.24Å; K211-N215 PolarHBondContact O-OD1 3.5Å; I212-N215 PolarHBondContact O-N 3.01Å; G213-N215 VanDerWaalsContact C-N 3.33Å; G213-N215 PolarHBondContact O-N 3.16Å; N215-V218 PolarHBondContact O-N 3.39Å; N215-S219 WeakPolarHBondContact O-CB 3.35Å; N215-S219 PolarHBondContact O-N 2.98Å; N215-S219 PolarHBondContact O-OG 3.29Å; N215-S219 VanDerWaalsContact O-OG 3.12Å
216L80.3Confident67.2Low16 Ų1687.1 Ų87.18%0.08447%0.469CS..Hα-helixtrans-64.1-40.6173.3-72.3173.2000112.6L167 I170 A173 I212 G213 V218 S219 R220L167-L216 HydrophobicContact CB-CD2 4.14Å; L167-L216 HydrophobicContact CD2-CD2 4.09Å; L167-L216 HydrophobicContact CD2-CG 4.17Å; L167-L216 HydrophobicContact CG-CD2 4.27Å; L167-L216 VanDerWaalsContact O-CD2 3.26Å; L167-L216 WeakPolarHBondContact O-CD2 3.33Å; I170-L216 HydrophobicContact CB-CD2 3.81Å; I170-L216 HydrophobicContact CG2-CD1 4.05Å; I170-L216 HydrophobicContact CG2-CD2 4.05Å; A173-L216 HydrophobicContact CB-CD1 4.45Å; I212-L216 HydrophobicContact CG2-CD1 3.75Å; I212-L216 HydrophobicContact CG2-CG 4.13Å; I212-L216 WeakPolarHBondContact O-CB 3.17Å; I212-L216 VanDerWaalsContact O-CG 3.24Å; I212-L216 WeakPolarHBondContact O-CG 3.38Å; I212-L216 PolarHBondContact O-N 3.43Å; G213-L216 PolarHBondContact O-N 2.92Å; L216-V218 VanDerWaalsContact C-N 3.33Å; L216-S219 PolarHBondContact O-N 3.48Å; L216-R220 WeakPolarHBondContact O-CB 3.26Å; L216-R220 WeakPolarHBondContact O-CG 3.26Å; L216-R220 PolarHBondContact O-N 2.75Å
217E72.9Confident64.3Low152 Ų15284.1 Ų84.171%0.7146%0.463SS*.Hα-helixtrans-61.6-42.8174.5-73-180179.200111.3G213 S214 G221G213-E217 PolarHBondContact O-N 3.3Å; G213-E217 VanDerWaalsContact O-N 3.09Å; S214-E217 PolarHBondContact O-N 2.84Å; E217-G221 PolarHBondContact O-N 3.07Å
218V66.9Low61.6Low108 Ų10885.5 Ų85.566%0.65547%0.471SS*.Hα-helixtrans-64.5-46.6176.7173.50000111.2S214 N215 L216 R220 G221S214-V218 WeakPolarHBondContact O-CG2 3.45Å; S214-V218 PolarHBondContact O-N 3.12Å; N215-V218 PolarHBondContact O-N 3.39Å; L216-V218 VanDerWaalsContact C-N 3.33Å; V218-R220 VanDerWaalsContact C-N 3.31Å; V218-R220 PolarHBondContact O-N 3.46Å; V218-G221 PolarHBondContact O-N 3.04Å
219S61.9Low59.1Low38 Ų3889.8 Ų89.827%0.26650%0.497SS..Hα-helixtrans-67.4-27.1-178.9-630000113.5Q150 N215 L216Q150-S219 PolarHBondContact OE1-OG 3.22Å; N215-S219 WeakPolarHBondContact O-CB 3.35Å; N215-S219 PolarHBondContact O-N 2.98Å; N215-S219 PolarHBondContact O-OG 3.29Å; N215-S219 VanDerWaalsContact O-OG 3.12Å; L216-S219 PolarHBondContact O-N 3.48Å
220R66.4Low56.5Low128 Ų12891.9 Ų91.948%0.48351%0.508SS..Hα-helixtrans-83.1-18.9179.2-72.8179.1-178.7174.74.3113.9I170 I171 L216 V218I170-R220 PolarHBondContact O-NH2 2.7Å; I171-R220 PolarHBondContact O-NH2 3.02Å; L216-R220 WeakPolarHBondContact O-CB 3.26Å; L216-R220 WeakPolarHBondContact O-CG 3.26Å; L216-R220 PolarHBondContact O-N 2.75Å; V218-R220 VanDerWaalsContact C-N 3.31Å; V218-R220 PolarHBondContact O-N 3.46Å
221G45.8Very low53.8Low42 Ų4289.5 Ų89.543%0.43351%0.507SS..  trans62.9158.1-170.200000111.7E217 V218 K223E217-G221 PolarHBondContact O-N 3.07Å; V218-G221 PolarHBondContact O-N 3.04Å; G221-K223 VanDerWaalsContact C-N 3.32Å; G221-K223 PolarHBondContact O-N 3.41Å
222T29.2Very low51.4Low144 Ų14489.2 Ų89.288%0.88351%0.514SS*.SBendtrans-63.786.4179.751.20000111.3
223K27.6Very low48.9Very low189 Ų18992.6 Ų92.682%0.82253%0.531SS*.  trans-171.5127.7161.4-102.2154.9-169.1-1740112.1G221G221-K223 VanDerWaalsContact C-N 3.32Å; G221-K223 PolarHBondContact O-N 3.41Å
224S28Very low46.3Very low121 Ų12195 Ų9585%0.84654%0.54SS*.  trans87.5118.2167.7730000118.9
225E27.9Very low44Very low169 Ų16996.4 Ų96.479%0.7955%0.55SS*.  trans-66.6140.1164.8-69.3-172.7153.200110.4S227E225-S227 PolarHBondContact O-N 3.15Å
226P31Very low41.9Very low95 Ų9598.9 Ų98.962%0.61757%0.569SS**  trans-87.377.8168.534.3-28.5000109.4I230P226-I230 HydrophobicContact CB-CD1 4.45Å
227S30Very low39.8Very low76 Ų76103.2 Ų103.253%0.53159%0.587SS.*  trans-100.1129.3167.257.50000110E225E225-S227 PolarHBondContact O-N 3.15Å
228D31.8Very low37.9Very low140 Ų140103 Ų10375%0.74959%0.591SS**SBendtrans107.3-8.2163.8-54.2-21.4000119.6
229V35.3Very low36Very low99 Ų99104.5 Ų104.560%0.660%0.595SS**SBendtrans-94.5-24.5171.4-177.40000112.7S232V229-S232 PolarHBondContact O-OG 2.77Å
230I34.5Very low34.3Very low74 Ų74108 Ų10838%0.37962%0.619SS.*Hα-helixtrans-77.2-33.4-169.7-62.2174.2000111.7P226 S232 I233 T234P226-I230 HydrophobicContact CB-CD1 4.45Å; I230-S232 VanDerWaalsContact C-N 3.31Å; I230-S232 PolarHBondContact O-N 3.14Å; I230-I233 PolarHBondContact O-N 2.88Å; I230-T234 PolarHBondContact O-N 3.26Å; I230-T234 PolarHBondContact O-OG1 2.9Å
231T33.7Very low32.5Very low110 Ų110108.4 Ų108.468%0.67563%0.631SS**Hα-helixtrans-69.9-23.7-176.8-45.10000113.8
232S36.3Very low31.5Very low67 Ų67112 Ų11247%0.46964%0.644SS.*Hα-helixtrans-79.3-37.9178.847.50000112.3V229 I230 S235V229-S232 PolarHBondContact O-OG 2.77Å; I230-S232 VanDerWaalsContact C-N 3.31Å; I230-S232 PolarHBondContact O-N 3.14Å; S232-S235 PolarHBondContact O-N 3.49Å; S232-S235 PolarHBondContact O-OG 3.49Å
233I36.6Very low31.5Very low72 Ų72111 Ų11137%0.36964%0.638SS.*Hα-helixtrans-70.8-43.4-179.4-61.7175.4000111.1I230 S235 S236 F237I230-I233 PolarHBondContact O-N 2.88Å; I233-S235 PolarHBondContact O-N 3.07Å; I233-S236 PolarHBondContact O-N 3.2Å; I233-S236 VanDerWaalsContact O-N 3.11Å; I233-F237 HydrophobicContact CG2-CD2 4.03Å; I233-F237 HydrophobicContact CG2-CE2 3.69Å; I233-F237 WeakPolarHBondContact O-CD2 3.35Å; I233-F237 PolarHBondContact O-N 3.05Å
234T32.9Very low31.5Very low80 Ų80108.3 Ų108.349%0.49163%0.631SS.*Hα-helixtrans-65.8-26.3-180-29.90000112.6I230I230-T234 PolarHBondContact O-N 3.26Å; I230-T234 PolarHBondContact O-OG1 2.9Å
235S35.3Very low31.4Very low83 Ų83107.6 Ų107.658%0.5863%0.626SS**Hα-helixtrans-75.7-22.7175.6750000113.9S232 I233S232-S235 PolarHBondContact O-N 3.49Å; S232-S235 PolarHBondContact O-OG 3.49Å; I233-S235 PolarHBondContact O-N 3.07Å
236S36.2Very low31.4Very low73 Ų73103.4 Ų103.451%0.5162%0.615SS.*Hα-helixtrans-87.1-17177.8-64.80000113.9I233 N238I233-S236 PolarHBondContact O-N 3.2Å; I233-S236 VanDerWaalsContact O-N 3.11Å; S236-N238 VanDerWaalsContact C-N 3.25Å; S236-N238 PolarHBondContact O-N 3.13Å
237F35.2Very low31.1Very low108 Ų108103.5 Ų103.547%0.47462%0.618SS.*THydrogen-bonded Turntrans-71-17.1178.4-93.7-80.9000114I188 I233I188-F237 HydrophobicContact CD1-CZ 4.19Å; I233-F237 HydrophobicContact CG2-CD2 4.03Å; I233-F237 HydrophobicContact CG2-CE2 3.69Å; I233-F237 WeakPolarHBondContact O-CD2 3.35Å; I233-F237 PolarHBondContact O-N 3.05Å
238N33.4Very low30.9Very low148 Ų148107 Ų10779%0.79163%0.631SS**THydrogen-bonded Turntrans-100.6-1.7-175.4-82.1-26000115.5S236S236-N238 VanDerWaalsContact C-N 3.25Å; S236-N238 PolarHBondContact O-N 3.13Å
239N26.9Very low30.6Very low139 Ų139105.3 Ų105.374%0.74363%0.626SS**SBendtrans-131119.6172.4-87.7-24.7000108.8
240S27.4Very low30.2Very low110 Ų110106.3 Ų106.377%0.76963%0.633SS**  trans8.7108.9174-67.60000116.2T242S240-T242 VanDerWaalsContact C-N 3.27Å; S240-T242 PolarHBondContact O-N 3.2Å; S240-T242 PolarHBondContact O-OG1 3.15Å
241L26.6Very low29.9Very low138 Ų138107.7 Ų107.772%0.72365%0.649SS**  trans-43.587.9165.7-81150.3000110.8
242T26Very low29.7Very low116 Ų116109.1 Ų109.171%0.71265%0.648SS**  trans-89.8114.3162.132.80000104.8S240 I244S240-T242 VanDerWaalsContact C-N 3.27Å; S240-T242 PolarHBondContact O-N 3.2Å; S240-T242 PolarHBondContact O-OG1 3.15Å; T242-I244 PolarHBondContact O-N 3.18Å
243V28.5Very low29.4Very low125 Ų125111.4 Ų111.476%0.75865%0.654SS**  trans-42.4109.91641770000106.6S245V243-S245 WeakPolarHBondContact CG1-OG 3.18Å; V243-S245 PolarHBondContact O-N 3.39Å
244I28.9Very low28.9Very low132 Ų132113.5 Ų113.568%0.67767%0.666SS**  trans-72.879169.5-62.8-179.6000105.6T242 S246T242-I244 PolarHBondContact O-N 3.18Å; I244-S246 WeakPolarHBondContact CG2-OG 3.23Å; I244-S246 PolarHBondContact O-N 3.29Å; I244-S246 VanDerWaalsContact O-N 3.1Å
245S25.6Very low28.9Very low106 Ų106113.1 Ų113.174%0.74166%0.658SS**  trans-73.770.8151.8-55.10000106.7V243V243-S245 WeakPolarHBondContact CG1-OG 3.18Å; V243-S245 PolarHBondContact O-N 3.39Å
246S26.7Very low28.9Very low80 Ų80113.2 Ų113.256%0.55966%0.658SS**  trans-113.894.9167.471.40000109.4I244I244-S246 WeakPolarHBondContact CG2-OG 3.23Å; I244-S246 PolarHBondContact O-N 3.29Å; I244-S246 VanDerWaalsContact O-N 3.1Å
247S26.1Very low28.9Very low98 Ų98114.8 Ų114.869%0.68567%0.67SS**  trans-3.6134137.831.10000116.7
248N24.9Very low29.1Very low148 Ų148110.8 Ų110.879%0.79166%0.659SS**  trans76.549.7154.5-55.8-10.2000117.8
249T25.3Very low29.5Very low106 Ų106108.6 Ų108.665%0.6566%0.655SS**  trans-146.467.1134.658.20000107.9S251T249-S251 PolarHBondContact O-N 2.66Å
250T27.5Very low30.6Very low120 Ų120103.4 Ų103.474%0.73663%0.634SS**  trans-57.695.9142.66.40000103.8Q252T250-Q252 PolarHBondContact O-N 2.83Å
251S28.4Very low32.2Very low103 Ų10398.6 Ų98.672%0.7260%0.601SS**  trans-57.285.6134.548.20000103.4T249 L253T249-S251 PolarHBondContact O-N 2.66Å; S251-L253 PolarHBondContact O-N 3.29Å
252Q28.9Very low34Very low140 Ų14092.3 Ų92.365%0.65457%0.567SS**  trans-42.993.4134-74.8176-31.200102.8T250 D254T250-Q252 PolarHBondContact O-N 2.83Å; Q252-D254 PolarHBondContact O-N 3Å
253L30.1Very low35.5Very low114 Ų11487.3 Ų87.360%0.59754%0.538SS*.  -44.495.5115.4-73.1170.4000101.8S251 F255S251-L253 PolarHBondContact O-N 3.29Å; L253-F255 PolarHBondContact O-N 3.38Å
254D26.5Very low37Very low117 Ų11784 Ų8463%0.62652%0.521SS*.  trans-52.492.4158.7-91.7-28.3000100.8Q252 S256Q252-D254 PolarHBondContact O-N 3Å; D254-S256 PolarHBondContact O-N 3.31Å
255F33.1Very low38.4Very low71 Ų7183.4 Ų83.431%0.31151%0.51SS..  trans-55.680.7146.6-83.6-89000100.9L253 S257 K318L253-F255 PolarHBondContact O-N 3.38Å; F255-S257 PolarHBondContact O-N 2.99Å; F255-K318 VanDerWaalsContact CB-NZ 3.34Å; F255-K318 HydrophobicContact CD1-CD 4.45Å
256S33.8Very low40.1Very low85 Ų8581 Ų8159%0.59449%0.485SS*.  trans-58.698.2178.8360000102.9D254 G258D254-S256 PolarHBondContact O-N 3.31Å; S256-G258 VanDerWaalsContact C-N 3.32Å; S256-G258 PolarHBondContact O-N 3.05Å
257S37.3Very low41.3Very low107 Ų10780.2 Ų80.275%0.74848%0.479SS*.THydrogen-bonded Turntrans-49.499.5-175.5-64.80000107.2F255 S259F255-S257 PolarHBondContact O-N 2.99Å; S257-S259 PolarHBondContact O-N 3.28Å
258G38.9Very low41.9Very low24 Ų2486.2 Ų86.225%0.24749%0.489CS..THydrogen-bonded Turntrans43.133175.300000116.9S256 G260 C261 S264S256-G258 VanDerWaalsContact C-N 3.32Å; S256-G258 PolarHBondContact O-N 3.05Å; G258-G260 PolarHBondContact O-N 2.8Å; G258-C261 WeakPolarHBondContact CA-SG 3.35Å; G258-C261 PolarHBondContact O-N 3.29Å; G258-S264 WeakPolarHBondContact O-CB 3.44Å; G258-S264 PolarHBondContact O-OG 3.44Å
259S42.7Very low42.8Very low102 Ų10286.4 Ų86.471%0.71349%0.489SS*.THydrogen-bonded Turntrans-72.481.8178.4-178.40000109.3S257S257-S259 PolarHBondContact O-N 3.28Å
260G49.4Very low44Very low29 Ų2982.2 Ų82.230%0.29946%0.463SS..THydrogen-bonded Turntrans138.9-21.7-177.300000114.8G258 R265G258-G260 PolarHBondContact O-N 2.8Å; G260-R265 PolarHBondContact O-NH2 3.33Å
261C60.2Low45Very low10 Ų1080.5 Ų80.57%0.06845%0.454CS..  trans-80.3159.9176.970.80000111.9G258 S264 C412G258-C261 WeakPolarHBondContact CA-SG 3.35Å; G258-C261 PolarHBondContact O-N 3.29Å; C261-S264 PolarHBondContact O-OG 2.86Å; C261-S264 VanDerWaalsContact O-OG 3.05Å; C261-C412 WeakPolarHBondContact CB-O 3.46Å
262F65.7Low46.1Very low5 Ų577.2 Ų77.22%0.02243%0.427CS..Hα-helixtrans-75.6-33.4-178.8-70-44.3000113.1S264 R265 Y266 A371 E376 G377 S380 L409 L410F262-S264 VanDerWaalsContact C-N 3.33Å; F262-S264 PolarHBondContact O-N 3.33Å; F262-R265 PolarHBondContact O-N 3.07Å; F262-R265 VanDerWaalsContact O-N 3.16Å; F262-Y266 HydrophobicContact CB-CD2 3.81Å; F262-Y266 HydrophobicContact CB-CE2 3.97Å; F262-Y266 HydrophobicContact CD1-CD2 4.23Å; F262-Y266 AromaticContact CD1-CE2 3.53Å; F262-Y266 HydrophobicContact CD1-CE2 3.53Å; F262-Y266 HydrophobicContact CE1-CE2 4.32Å; F262-Y266 HydrophobicContact CG-CD2 4.35Å; F262-Y266 AromaticContact CG-CE2 3.99Å; F262-Y266 HydrophobicContact CG-CE2 3.99Å; F262-Y266 WeakPolarHBondContact O-CD2 3.3Å; F262-Y266 PolarHBondContact O-N 3.27Å; F262-A371 HydrophobicContact CB-CB 3.96Å; F262-A371 HydrophobicContact CD2-CB 4.29Å; F262-A371 HydrophobicContact CG-CB 4.08Å; F262-E376 HydrophobicContact CE1-CG 4.14Å; F262-E376 HydrophobicContact CZ-CG 4.45Å; F262-G377 VanDerWaalsContact CZ-CA 3.44Å; F262-S380 WeakPolarHBondContact CZ-OG 3.49Å; F262-L409 HydrophobicContact CD2-CB 4.09Å; F262-L409 WeakPolarHBondContact CD2-O 3.17Å; F262-L409 HydrophobicContact CE2-CB 4.19Å; F262-L409 PolarHBondContact N-O 3.48Å; F262-L410 HydrophobicContact CB-CD2 4.2Å; F262-L410 PolarHBondContact N-O 2.92Å
263A57.7Low47.5Very low12 Ų1273 Ų7310%0.09941%0.413CS..Hα-helixtrans-59.1-42.6-179.500000112.2R265 S267 L410 Y411A263-R265 VanDerWaalsContact C-N 3.33Å; A263-R265 PolarHBondContact O-N 3.49Å; A263-S267 WeakPolarHBondContact O-CA 3.41Å; A263-S267 VanDerWaalsContact O-CB 3.24Å; A263-S267 WeakPolarHBondContact O-CB 2.95Å; A263-S267 PolarHBondContact O-N 3.48Å; A263-L410 WeakPolarHBondContact CB-O 3Å; A263-L410 PolarHBondContact N-O 3.11Å; A263-Y411 HydrophobicContact CB-CD1 4.38Å; A263-Y411 HydrophobicContact CB-CE1 4.45Å
264S58.2Low48.6Very low56 Ų5673.1 Ų73.139%0.39241%0.414SS..Hα-helixtrans-66.2-33.6178.663.80000113G258 C261 F262G258-S264 WeakPolarHBondContact O-CB 3.44Å; G258-S264 PolarHBondContact O-OG 3.44Å; C261-S264 PolarHBondContact O-OG 2.86Å; C261-S264 VanDerWaalsContact O-OG 3.05Å; F262-S264 VanDerWaalsContact C-N 3.33Å; F262-S264 PolarHBondContact O-N 3.33Å
265R59.7Low50.3Low119 Ų11968.5 Ų68.545%0.44939%0.389SS..Hα-helixtrans-83.7-34.4-178.6-79.7-173.5-93.9169.6-10.8113.9G260 F262 A263 E376G260-R265 PolarHBondContact O-NH2 3.33Å; F262-R265 PolarHBondContact O-N 3.07Å; F262-R265 VanDerWaalsContact O-N 3.16Å; A263-R265 VanDerWaalsContact C-N 3.33Å; A263-R265 PolarHBondContact O-N 3.49Å; R265-E376 IonicContact CZ-OE1 2.71Å; R265-E376 VanDerWaalsContact NH1-CD 3.29Å; R265-E376 IonicContact NH1-OE1 3.86Å; R265-E376 PolarHBondContact NH1-OE1 3.34Å; R265-E376 IonicContact NH1-OE2 2.83Å; R265-E376 PolarHBondContact NH1-OE2 3.17Å; R265-E376 IonicContact NH2-OE1 3.68Å
266Y60.6Low52.3Low55 Ų5568.6 Ų68.622%0.21639%0.393CS..Hα-helixtrans-94.44.9177.8-62.1-72.1000113.1F262 Y268 P370 A371 T374F262-Y266 HydrophobicContact CB-CD2 3.81Å; F262-Y266 HydrophobicContact CB-CE2 3.97Å; F262-Y266 HydrophobicContact CD1-CD2 4.23Å; F262-Y266 AromaticContact CD1-CE2 3.53Å; F262-Y266 HydrophobicContact CD1-CE2 3.53Å; F262-Y266 HydrophobicContact CE1-CE2 4.32Å; F262-Y266 HydrophobicContact CG-CD2 4.35Å; F262-Y266 AromaticContact CG-CE2 3.99Å; F262-Y266 HydrophobicContact CG-CE2 3.99Å; F262-Y266 WeakPolarHBondContact O-CD2 3.3Å; F262-Y266 PolarHBondContact O-N 3.27Å; Y266-Y268 PolarHBondContact O-N 3.33Å; Y266-Y268 VanDerWaalsContact O-N 3.1Å; Y266-P370 HydrophobicContact CD1-CB 4.49Å; Y266-A371 HydrophobicContact CD2-CB 3.65Å; Y266-A371 HydrophobicContact CE2-CB 3.62Å; Y266-A371 HydrophobicContact CG-CB 4.46Å; Y266-T374 HydrophobicContact CE1-CG2 3.93Å; Y266-T374 VanDerWaalsContact OH-CG2 3.23Å; Y266-T374 WeakPolarHBondContact OH-CG2 3.42Å; Y266-T374 PolarHBondContact OH-OG1 3.26Å
267S51.5Low54.5Low64 Ų6468.8 Ų68.845%0.44839%0.392SS..G310 helixtrans-60.1-22-178-147.60000114.3A263 N269A263-S267 WeakPolarHBondContact O-CA 3.41Å; A263-S267 VanDerWaalsContact O-CB 3.24Å; A263-S267 WeakPolarHBondContact O-CB 2.95Å; A263-S267 PolarHBondContact O-N 3.48Å; S267-N269 PolarHBondContact O-N 3.1Å
268Y39.7Very low56.7Low224 Ų22469.1 Ų69.188%0.87839%0.385SS*.G310 helixtrans-69.2-5.2-173.7-116-84000115Y266Y266-Y268 PolarHBondContact O-N 3.33Å; Y266-Y268 VanDerWaalsContact O-N 3.1Å
269N43.1Very low58.8Low151 Ų15169.8 Ų69.881%0.80739%0.388SS*.G310 helixtrans-161.950.1166.7-84.7-40.7000109.3S267 P271S267-N269 PolarHBondContact O-N 3.1Å; N269-P271 WeakPolarHBondContact O-CD 3.44Å; N269-P271 VanDerWaalsContact O-N 3.11Å
270N50.2Low60.9Low19 Ų1966.2 Ų66.210%0.10236%0.36CS..  trans-71.8105.5178.3-166.60.2000109F272 S273N270-F272 PolarHBondContact O-N 3.42Å; N270-F272 VanDerWaalsContact OD1-CB 3.31Å; N270-F272 WeakPolarHBondContact OD1-CB 3.39Å; N270-F272 WeakPolarHBondContact OD1-CD2 3.17Å; N270-F272 PolarHBondContact OD1-N 3.04Å; N270-F272 VanDerWaalsContact OD1-N 3.11Å; N270-S273 PolarHBondContact O-N 3.26Å
271P48.3Very low62.8Low84 Ų8469 Ų6955%0.54537%0.368SS..THydrogen-bonded Turntrans-64.4-13.9177-1028.5000111N269N269-P271 WeakPolarHBondContact O-CD 3.44Å; N269-P271 VanDerWaalsContact O-N 3.11Å
272F53.5Low64.3Low34 Ų3475 Ų7515%0.14939%0.393CS..THydrogen-bonded Turntrans-102.423177.6-47.8-84.3000112.8N270 E368 H369 F523 H524N270-F272 PolarHBondContact O-N 3.42Å; N270-F272 VanDerWaalsContact OD1-CB 3.31Å; N270-F272 WeakPolarHBondContact OD1-CB 3.39Å; N270-F272 WeakPolarHBondContact OD1-CD2 3.17Å; N270-F272 PolarHBondContact OD1-N 3.04Å; N270-F272 VanDerWaalsContact OD1-N 3.11Å; F272-E368 HydrophobicContact CZ-CB 4.09Å; F272-H369 AromaticContact CD2-CD2 3.62Å; F272-H369 HydrophobicContact CE2-CB 4.39Å; F272-H369 AromaticContact CE2-CD2 3.92Å; F272-F523 HydrophobicContact CB-CD1 3.95Å; F272-F523 HydrophobicContact CB-CE1 4.15Å; F272-F523 HydrophobicContact CD1-CB 4.47Å; F272-F523 HydrophobicContact CD1-CD1 4.25Å; F272-F523 HydrophobicContact CG-CD1 4.32Å; F272-H524 VanDerWaalsContact C-NE2 3.34Å; F272-H524 WeakPolarHBondContact CA-NE2 3.47Å; F272-H524 PolarHBondContact O-CE1 3.09Å; F272-H524 PolarHBondContact O-NE2 2.92Å
273S56.3Low65.5Low52 Ų5275.5 Ų75.536%0.36440%0.395SS..  trans-112.682159.6-167.90000107.4N270 E316N270-S273 PolarHBondContact O-N 3.26Å; S273-E316 PolarHBondContact OG-OE2 2.73Å; S273-E316 VanDerWaalsContact OG-OE2 3.05Å
274L55Low67.2Low116 Ų11677.3 Ų77.361%0.60740%0.403SS*.  trans-95.2-5.6-179.7-75.9167.7000112.7N276 H524 Q582L274-N276 PolarHBondContact O-N 3.23Å; L274-H524 PolarHBondContact N-CE1 2.91Å; L274-Q582 PolarHBondContact O-NE2 3.43Å
275D62.2Low68.9Low20 Ų2078.9 Ų78.911%0.10741%0.406CS..SBendtrans-68.4131.3-178.2-82.9-13.2000110.4P277 R283 Y528 H581D275-P277 WeakPolarHBondContact O-CD 3.49Å; D275-R283 IonicContact OD2-CZ 2.76Å; D275-R283 IonicContact OD2-NH1 3.8Å; D275-R283 IonicContact OD2-NH2 3.29Å; D275-R283 PolarHBondContact OD2-NH2 3.48Å; D275-Y528 PolarHBondContact OD2-OH 3.3Å; D275-H581 IonicContact OD1-CD2 2.86Å; D275-H581 PolarHBondContact OD1-CD2 2.85Å; D275-H581 IonicContact OD1-CG 3.83Å; D275-H581 IonicContact OD2-CD2 3.46Å
276N74.6Confident70.7Confident73 Ų7375.6 Ų75.639%0.3940%0.398SS..  trans-55125.7175.8179.2-8.7000108.6L274 D278 A279 E280L274-N276 PolarHBondContact O-N 3.23Å; N276-D278 PolarHBondContact O-N 3.04Å; N276-D278 PolarHBondContact OD1-N 3.22Å; N276-D278 VanDerWaalsContact OD1-N 3.07Å; N276-A279 HydrophobicContact CB-CB 4.32Å; N276-A279 WeakPolarHBondContact O-CA 3.44Å; N276-A279 WeakPolarHBondContact O-CB 3.36Å; N276-A279 PolarHBondContact O-N 3.07Å; N276-E280 PolarHBondContact O-N 3.24Å; N276-E280 VanDerWaalsContact O-N 3.15Å
277P80Confident72.3Confident88 Ų8873.2 Ų73.257%0.57139%0.388SS*.Hα-helixtrans-49.7-34.4178.4-28.533.7000113.6D275 E280 N281D275-P277 WeakPolarHBondContact O-CD 3.49Å; P277-E280 PolarHBondContact O-N 3.2Å; P277-N281 WeakPolarHBondContact O-CB 3.38Å; P277-N281 VanDerWaalsContact O-CG 3.23Å; P277-N281 PolarHBondContact O-N 3.23Å; P277-N281 PolarHBondContact O-ND2 3.16Å
278D83.5Confident74.4Confident115 Ų11575.3 Ų75.362%0.61539%0.39SS*.Hα-helixtrans-66.4-38.5178-64.6-30.7000112.4N276 K282N276-D278 PolarHBondContact O-N 3.04Å; N276-D278 PolarHBondContact OD1-N 3.22Å; N276-D278 VanDerWaalsContact OD1-N 3.07Å; D278-K282 WeakPolarHBondContact O-CB 3.31Å; D278-K282 PolarHBondContact O-N 3.45Å
279A83.8Confident77.1Confident37 Ų3769 Ų6931%0.30637%0.368SS..Hα-helixtrans-69-4017700000111.1N276 K282 R283N276-A279 HydrophobicContact CB-CB 4.32Å; N276-A279 WeakPolarHBondContact O-CA 3.44Å; N276-A279 WeakPolarHBondContact O-CB 3.36Å; N276-A279 PolarHBondContact O-N 3.07Å; A279-K282 PolarHBondContact O-N 3.3Å; A279-R283 PolarHBondContact O-N 2.93Å
280E86.2Confident79.5Confident27 Ų2761.9 Ų61.913%0.12633%0.33CS..Hα-helixtrans-64.9-44.6175.2-17962.5-169.200111.8N276 P277 K282 R283 L284 P315 E316N276-E280 PolarHBondContact O-N 3.24Å; N276-E280 VanDerWaalsContact O-N 3.15Å; P277-E280 PolarHBondContact O-N 3.2Å; E280-K282 VanDerWaalsContact C-N 3.33Å; E280-K282 PolarHBondContact O-N 3.17Å; E280-R283 WeakPolarHBondContact O-CB 3.4Å; E280-R283 PolarHBondContact O-N 2.95Å; E280-R283 IonicContact OE2-CZ 3.16Å; E280-R283 VanDerWaalsContact OE2-CZ 3.28Å; E280-R283 IonicContact OE2-NE 3.33Å; E280-R283 PolarHBondContact OE2-NE 2.67Å; E280-R283 IonicContact OE2-NH2 3.46Å; E280-R283 PolarHBondContact OE2-NH2 2.77Å; E280-L284 WeakPolarHBondContact O-CG 3.43Å; E280-L284 PolarHBondContact O-N 2.92Å; E280-P315 WeakPolarHBondContact OE1-CA 3.33Å; E280-E316 PolarHBondContact OE1-N 3.44Å
281N89.3Confident81.6Confident87 Ų8763 Ų6347%0.46533%0.334SS..Hα-helixtrans-61.2-42.2176.1-74.5-35.3000111.8P277 R283 L284 D285P277-N281 WeakPolarHBondContact O-CB 3.38Å; P277-N281 VanDerWaalsContact O-CG 3.23Å; P277-N281 PolarHBondContact O-N 3.23Å; P277-N281 PolarHBondContact O-ND2 3.16Å; N281-R283 PolarHBondContact O-N 3.16Å; N281-L284 WeakPolarHBondContact O-CB 3.47Å; N281-L284 PolarHBondContact O-N 2.8Å; N281-D285 PolarHBondContact O-N 3.05Å
282K90.9Very high83.6Confident136 Ų13666.9 Ų66.959%0.59135%0.345SS*.Hα-helixtrans-60.4-45.8175-176-178.2175.7-1740111.7D278 A279 E280 L284 D285 D286D278-K282 WeakPolarHBondContact O-CB 3.31Å; D278-K282 PolarHBondContact O-N 3.45Å; A279-K282 PolarHBondContact O-N 3.3Å; E280-K282 VanDerWaalsContact C-N 3.33Å; E280-K282 PolarHBondContact O-N 3.17Å; K282-L284 VanDerWaalsContact C-N 3.3Å; K282-L284 PolarHBondContact O-N 3.43Å; K282-D285 PolarHBondContact O-N 2.9Å; K282-D285 VanDerWaalsContact O-N 3.17Å; K282-D286 PolarHBondContact O-N 2.94Å
283R91.2Very high85.3Confident16 Ų1668.9 Ų68.96%0.0636%0.355CS..Hα-helixtrans-57.3-44.9174.7-77.2-170.6-71.5-111.49.9111.4D275 A279 E280 N281 D285 D286 W287 G313 P315 Y528 H581D275-R283 IonicContact OD2-CZ 2.76Å; D275-R283 IonicContact OD2-NH1 3.8Å; D275-R283 IonicContact OD2-NH2 3.29Å; D275-R283 PolarHBondContact OD2-NH2 3.48Å; A279-R283 PolarHBondContact O-N 2.93Å; E280-R283 WeakPolarHBondContact O-CB 3.4Å; E280-R283 PolarHBondContact O-N 2.95Å; E280-R283 IonicContact OE2-CZ 3.16Å; E280-R283 VanDerWaalsContact OE2-CZ 3.28Å; E280-R283 IonicContact OE2-NE 3.33Å; E280-R283 PolarHBondContact OE2-NE 2.67Å; E280-R283 IonicContact OE2-NH2 3.46Å; E280-R283 PolarHBondContact OE2-NH2 2.77Å; N281-R283 PolarHBondContact O-N 3.16Å; R283-D285 VanDerWaalsContact C-N 3.28Å; R283-D285 PolarHBondContact O-N 2.99Å; R283-D286 PolarHBondContact O-N 3.28Å; R283-W287 WeakPolarHBondContact O-CB 3.41Å; R283-W287 VanDerWaalsContact O-CD1 3.22Å; R283-W287 PolarHBondContact O-N 2.77Å; R283-G313 WeakPolarHBondContact CD-O 3.43Å; R283-P315 HydrophobicContact CB-CG 4.35Å; R283-Y528 PolarHBondContact NH1-OH 3.49Å; R283-H581 PolarHBondContact NH1-NE2 3.22Å
284L93.2Very high86.9Confident51 Ų5168.2 Ų68.227%0.26734%0.344SS..Hα-helixtrans-59.3-39.5177.9-75.6167.6000112.3E280 N281 K282 K288 P315E280-L284 WeakPolarHBondContact O-CG 3.43Å; E280-L284 PolarHBondContact O-N 2.92Å; N281-L284 WeakPolarHBondContact O-CB 3.47Å; N281-L284 PolarHBondContact O-N 2.8Å; K282-L284 VanDerWaalsContact C-N 3.3Å; K282-L284 PolarHBondContact O-N 3.43Å; L284-K288 VanDerWaalsContact O-CG 3.26Å; L284-K288 WeakPolarHBondContact O-CG 3.27Å; L284-K288 PolarHBondContact O-N 3.44Å; L284-P315 HydrophobicContact CD2-CB 3.54Å; L284-P315 HydrophobicContact CD2-CG 4.06Å; L284-P315 HydrophobicContact CG-CB 4.04Å
285D95.5Very high88.6Confident88 Ų8862.9 Ų62.947%0.47132%0.317SS..Hα-helixtrans-71.8-42.5179.3-69.9-20000112.3N281 K282 R283 W287 K288 E289N281-D285 PolarHBondContact O-N 3.05Å; K282-D285 PolarHBondContact O-N 2.9Å; K282-D285 VanDerWaalsContact O-N 3.17Å; R283-D285 VanDerWaalsContact C-N 3.28Å; R283-D285 PolarHBondContact O-N 2.99Å; D285-W287 VanDerWaalsContact C-N 3.27Å; D285-W287 PolarHBondContact O-N 3.48Å; D285-K288 PolarHBondContact O-N 3.18Å; D285-K288 IonicContact OD1-NZ 3.27Å; D285-K288 PolarHBondContact OD1-NZ 2.89Å; D285-E289 PolarHBondContact O-N 3.44Å
286D95.5Very high89.9Confident50 Ų5063.3 Ų63.327%0.26732%0.322SS..Hα-helixtrans-59-39.9175-68.2-21.3000111.3K282 R283 Y290 L309K282-D286 PolarHBondContact O-N 2.94Å; R283-D286 PolarHBondContact O-N 3.28Å; D286-Y290 PolarHBondContact O-N 3.11Å; D286-L309 HydrophobicContact CB-CD2 3.69Å
287W95.7Very high90.6Very high5 Ų560.2 Ų60.22%0.01931%0.308CS..Hα-helixtrans-71.3-37.3176-86.687.3000113.2R283 D285 Y290 F291 L306 L309 V310 L314 P315 L322R283-W287 WeakPolarHBondContact O-CB 3.41Å; R283-W287 VanDerWaalsContact O-CD1 3.22Å; R283-W287 PolarHBondContact O-N 2.77Å; D285-W287 VanDerWaalsContact C-N 3.27Å; D285-W287 PolarHBondContact O-N 3.48Å; W287-Y290 WeakPolarHBondContact O-CB 3.28Å; W287-Y290 PolarHBondContact O-N 2.98Å; W287-F291 HydrophobicContact CB-CE2 4.42Å; W287-F291 HydrophobicContact CD2-CZ 4.38Å; W287-F291 HydrophobicContact CE3-CD1 4.41Å; W287-F291 AromaticContact CE3-CE1 3.52Å; W287-F291 HydrophobicContact CE3-CE1 3.52Å; W287-F291 AromaticContact CE3-CE2 3.98Å; W287-F291 HydrophobicContact CE3-CE2 3.98Å; W287-F291 AromaticContact CE3-CZ 3.27Å; W287-F291 HydrophobicContact CE3-CZ 3.27Å; W287-F291 AromaticContact CZ3-CE1 3.67Å; W287-F291 HydrophobicContact CZ3-CE1 3.67Å; W287-F291 AromaticContact CZ3-CZ 3.69Å; W287-F291 HydrophobicContact CZ3-CZ 3.69Å; W287-F291 VanDerWaalsContact O-CD2 3.22Å; W287-F291 WeakPolarHBondContact O-CD2 3.5Å; W287-F291 VanDerWaalsContact O-CG 3.26Å; W287-F291 WeakPolarHBondContact O-CG 3.49Å; W287-F291 PolarHBondContact O-N 3.05Å; W287-L306 HydrophobicContact CH2-CD1 3.55Å; W287-L306 HydrophobicContact CZ2-CD1 4.34Å; W287-L306 HydrophobicContact CZ3-CD1 3.94Å; W287-L309 HydrophobicContact CD2-CD1 4.41Å; W287-L309 HydrophobicContact CZ2-CB 3.89Å; W287-V310 HydrophobicContact CH2-CG2 4.48Å; W287-V310 HydrophobicContact CZ2-CG2 4.35Å; W287-L314 HydrophobicContact CH2-CD2 3.75Å; W287-L314 HydrophobicContact CZ2-CD2 3.19Å; W287-P315 HydrophobicContact CB-CG 4.32Å; W287-P315 HydrophobicContact CG-CG 3.89Å; W287-L322 HydrophobicContact CD2-CD1 4.34Å; W287-L322 HydrophobicContact CE3-CD1 4.05Å; W287-L322 HydrophobicContact CE3-CD2 4.43Å; W287-L322 HydrophobicContact CH2-CD1 3.76Å; W287-L322 HydrophobicContact CH2-CD2 3.99Å; W287-L322 HydrophobicContact CH2-CG 4.48Å; W287-L322 HydrophobicContact CZ2-CD1 4.12Å; W287-L322 HydrophobicContact CZ3-CD1 3.73Å; W287-L322 HydrophobicContact CZ3-CD2 3.61Å; W287-L322 HydrophobicContact CZ3-CG 4.35Å
288K95.3Very high91Very high109 Ų10956 Ų5647%0.47428%0.28SS..Hα-helixtrans-62.1-44.6173.7-75.8170.2-157.2155.60111.2L284 D285 Y290 F291 Q292L284-K288 VanDerWaalsContact O-CG 3.26Å; L284-K288 WeakPolarHBondContact O-CG 3.27Å; L284-K288 PolarHBondContact O-N 3.44Å; D285-K288 PolarHBondContact O-N 3.18Å; D285-K288 IonicContact OD1-NZ 3.27Å; D285-K288 PolarHBondContact OD1-NZ 2.89Å; K288-Y290 VanDerWaalsContact C-N 3.3Å; K288-Y290 PolarHBondContact O-N 3.4Å; K288-F291 PolarHBondContact O-N 2.77Å; K288-Q292 VanDerWaalsContact O-CG 3.31Å; K288-Q292 WeakPolarHBondContact O-CG 3.45Å; K288-Q292 PolarHBondContact O-N 3.49Å
289E95.6Very high91.4Very high92 Ų9250.6 Ų50.643%0.4325%0.252SS..Hα-helixtrans-60-44.7176.6-167.8-167.1151.200110.4D285 F291 Q292 E293 R305D285-E289 PolarHBondContact O-N 3.44Å; E289-F291 PolarHBondContact O-N 3.04Å; E289-Q292 PolarHBondContact O-N 3.46Å; E289-E293 PolarHBondContact O-N 3.32Å; E289-R305 IonicContact OE1-CZ 3.82Å; E289-R305 IonicContact OE1-NH1 3.29Å; E289-R305 PolarHBondContact OE1-NH1 2.98Å; E289-R305 IonicContact OE1-NH2 3.93Å; E289-R305 PolarHBondContact OE1-NH2 3.12Å; E289-R305 IonicContact OE2-NH2 2.68Å; E289-R305 PolarHBondContact OE2-NH2 3.38Å
290Y94.7Very high91.8Very high0 Ų048.9 Ų48.90%024%0.237CC..Hα-helixtrans-58.2-49.5176.3-169.3-92.6000112.7D286 W287 K288 Q292 E293 Y294 M300 Y301 N303 R305 L306 L309D286-Y290 PolarHBondContact O-N 3.11Å; W287-Y290 WeakPolarHBondContact O-CB 3.28Å; W287-Y290 PolarHBondContact O-N 2.98Å; K288-Y290 VanDerWaalsContact C-N 3.3Å; K288-Y290 PolarHBondContact O-N 3.4Å; Y290-Q292 VanDerWaalsContact C-N 3.28Å; Y290-Q292 PolarHBondContact O-N 3Å; Y290-E293 PolarHBondContact O-N 2.89Å; Y290-E293 VanDerWaalsContact O-N 3.17Å; Y290-Y294 AromaticContact CD2-CD2 3.55Å; Y290-Y294 HydrophobicContact CD2-CD2 3.55Å; Y290-Y294 HydrophobicContact CD2-CE2 4.14Å; Y290-Y294 HydrophobicContact CD2-CG 4.42Å; Y290-Y294 HydrophobicContact CE1-CD2 4.38Å; Y290-Y294 HydrophobicContact CE1-CG 4.37Å; Y290-Y294 AromaticContact CE2-CD2 3.33Å; Y290-Y294 HydrophobicContact CE2-CD2 3.33Å; Y290-Y294 AromaticContact CE2-CE2 3.92Å; Y290-Y294 HydrophobicContact CE2-CE2 3.92Å; Y290-Y294 AromaticContact CE2-CG 3.9Å; Y290-Y294 HydrophobicContact CE2-CG 3.9Å; Y290-Y294 HydrophobicContact CG-CD2 4.16Å; Y290-Y294 AromaticContact CZ-CD2 3.77Å; Y290-Y294 AromaticContact CZ-CG 3.86Å; Y290-Y294 WeakPolarHBondContact O-CB 3.41Å; Y290-Y294 PolarHBondContact O-N 3.13Å; Y290-M300 HydrophobicContact CE1-SD 4.39Å; Y290-Y301 PolarHBondContact OH-O 3.05Å; Y290-N303 WeakPolarHBondContact CE2-OD1 2.94Å; Y290-N303 PolarHBondContact OH-OD1 2.92Å; Y290-R305 HydrophobicContact CD2-CB 4.35Å; Y290-R305 HydrophobicContact CD2-CG 3.84Å; Y290-R305 HydrophobicContact CE2-CB 3.9Å; Y290-R305 HydrophobicContact CE2-CG 3.92Å; Y290-L306 HydrophobicContact CE1-CB 4.32Å; Y290-L306 HydrophobicContact CE1-CD1 4.19Å; Y290-L306 HydrophobicContact CE2-CB 4.21Å; Y290-L306 WeakPolarHBondContact OH-CB 3.22Å; Y290-L309 HydrophobicContact CD1-CD1 4.33Å; Y290-L309 HydrophobicContact CD2-CD1 3.53Å; Y290-L309 HydrophobicContact CE2-CD1 4.38Å; Y290-L309 HydrophobicContact CG-CD1 3.51Å
291F93.7Very high92.1Very high42 Ų4248.4 Ų48.418%0.18423%0.234CC..Hα-helixtrans-64.2-32.7-179.3-65.4-35.1000113.2W287 K288 E289 E293 G295 L322W287-F291 HydrophobicContact CB-CE2 4.42Å; W287-F291 HydrophobicContact CD2-CZ 4.38Å; W287-F291 HydrophobicContact CE3-CD1 4.41Å; W287-F291 AromaticContact CE3-CE1 3.52Å; W287-F291 HydrophobicContact CE3-CE1 3.52Å; W287-F291 AromaticContact CE3-CE2 3.98Å; W287-F291 HydrophobicContact CE3-CE2 3.98Å; W287-F291 AromaticContact CE3-CZ 3.27Å; W287-F291 HydrophobicContact CE3-CZ 3.27Å; W287-F291 AromaticContact CZ3-CE1 3.67Å; W287-F291 HydrophobicContact CZ3-CE1 3.67Å; W287-F291 AromaticContact CZ3-CZ 3.69Å; W287-F291 HydrophobicContact CZ3-CZ 3.69Å; W287-F291 VanDerWaalsContact O-CD2 3.22Å; W287-F291 WeakPolarHBondContact O-CD2 3.5Å; W287-F291 VanDerWaalsContact O-CG 3.26Å; W287-F291 WeakPolarHBondContact O-CG 3.49Å; W287-F291 PolarHBondContact O-N 3.05Å; K288-F291 PolarHBondContact O-N 2.77Å; E289-F291 PolarHBondContact O-N 3.04Å; F291-E293 VanDerWaalsContact C-N 3.33Å; F291-G295 WeakPolarHBondContact CA-O 3.29Å; F291-G295 WeakPolarHBondContact CD1-O 3.42Å; F291-G295 CarbonylContact O-C 3.41Å; F291-G295 WeakPolarHBondContact O-CA 3.22Å; F291-G295 PolarHBondContact O-N 3.04Å; F291-L322 HydrophobicContact CZ-CD2 4.15Å
292Q90.6Very high92.3Very high167 Ų16745.5 Ų45.578%0.7822%0.217SC*.Hα-helixtrans-66.5-36.7175.5-74.5173.39.500112.1K288 E289 Y290K288-Q292 VanDerWaalsContact O-CG 3.31Å; K288-Q292 WeakPolarHBondContact O-CG 3.45Å; K288-Q292 PolarHBondContact O-N 3.49Å; E289-Q292 PolarHBondContact O-N 3.46Å; Y290-Q292 VanDerWaalsContact C-N 3.28Å; Y290-Q292 PolarHBondContact O-N 3Å
293E88.5Confident92.3Very high76 Ų7639.9 Ų39.936%0.35519%0.193SC..Hα-helixtrans-88.3-41.3-176.6-165-169.7159.400113.1R134 E289 Y290 F291 R305R134-E293 IonicContact CZ-OE1 3.01Å; R134-E293 IonicContact NH1-OE1 2.73Å; R134-E293 PolarHBondContact NH1-OE1 3.5Å; R134-E293 VanDerWaalsContact NH1-OE1 3.13Å; R134-E293 IonicContact NH2-OE1 2.75Å; R134-E293 PolarHBondContact NH2-OE1 3.29Å; E289-E293 PolarHBondContact O-N 3.32Å; Y290-E293 PolarHBondContact O-N 2.89Å; Y290-E293 VanDerWaalsContact O-N 3.17Å; F291-E293 VanDerWaalsContact C-N 3.33Å; E293-R305 IonicContact OE2-NH1 2.76Å; E293-R305 PolarHBondContact OE2-NH1 3.13Å
294Y90.6Very high92.3Very high37 Ų3743.4 Ų43.415%0.14521%0.21CC..Hα-helixtrans-114.46.3-168.5-65.7-69.7000113.5Y290 M300 Y301 N303Y290-Y294 AromaticContact CD2-CD2 3.55Å; Y290-Y294 HydrophobicContact CD2-CD2 3.55Å; Y290-Y294 HydrophobicContact CD2-CE2 4.14Å; Y290-Y294 HydrophobicContact CD2-CG 4.42Å; Y290-Y294 HydrophobicContact CE1-CD2 4.38Å; Y290-Y294 HydrophobicContact CE1-CG 4.37Å; Y290-Y294 AromaticContact CE2-CD2 3.33Å; Y290-Y294 HydrophobicContact CE2-CD2 3.33Å; Y290-Y294 AromaticContact CE2-CE2 3.92Å; Y290-Y294 HydrophobicContact CE2-CE2 3.92Å; Y290-Y294 AromaticContact CE2-CG 3.9Å; Y290-Y294 HydrophobicContact CE2-CG 3.9Å; Y290-Y294 HydrophobicContact CG-CD2 4.16Å; Y290-Y294 AromaticContact CZ-CD2 3.77Å; Y290-Y294 AromaticContact CZ-CG 3.86Å; Y290-Y294 WeakPolarHBondContact O-CB 3.41Å; Y290-Y294 PolarHBondContact O-N 3.13Å; Y294-M300 WeakPolarHBondContact O-CA 3.36Å; Y294-Y301 HydrophobicContact CD1-CG 4.29Å; Y294-Y301 WeakPolarHBondContact O-CD2 3.32Å; Y294-Y301 PolarHBondContact O-N 3.5Å; Y294-N303 VanDerWaalsContact CD1-ND2 3.31Å; Y294-N303 WeakPolarHBondContact CD1-ND2 3.31Å; Y294-N303 WeakPolarHBondContact CE1-ND2 3.48Å
295G89.7Confident92.4Very high4 Ų444.8 Ų44.84%0.04121%0.212CC..  trans78.2172.9-179.500000113.9F291 M300F291-G295 WeakPolarHBondContact CA-O 3.29Å; F291-G295 WeakPolarHBondContact CD1-O 3.42Å; F291-G295 CarbonylContact O-C 3.41Å; F291-G295 WeakPolarHBondContact O-CA 3.22Å; F291-G295 PolarHBondContact O-N 3.04Å; G295-M300 WeakPolarHBondContact O-CB 3.31Å
296S89.7Confident92.4Very high30 Ų3040.6 Ų40.621%0.2119%0.19CC..  trans-121.1-178.9177.554.70000111.6E193 M300E193-S296 VanDerWaalsContact OE2-C 3.27Å; E193-S296 PolarHBondContact OE2-N 3.33Å; E193-S296 PolarHBondContact OE2-OG 3.04Å; S296-M300 PolarHBondContact O-N 3.46Å
297G90.2Very high92.4Very high8 Ų839.5 Ų39.58%0.08218%0.183CC..SBendtrans65.9-160.5176.200000113.8S299 M300G297-S299 VanDerWaalsContact C-N 3.31Å; G297-S299 PolarHBondContact O-N 3.46Å; G297-M300 WeakPolarHBondContact O-CE 3.33Å; G297-M300 WeakPolarHBondContact O-CG 3.24Å; G297-M300 PolarHBondContact O-N 3.22Å
298M88.2Confident92.3Very high0 Ų043 Ų430%020%0.199CC..THydrogen-bonded Turntrans-66.8-35.2-176-16562.8-172.200112.7I164 P166 M300 I325 N331I164-M298 HydrophobicContact CB-CE 4.12Å; I164-M298 HydrophobicContact CD1-CE 3.8Å; I164-M298 HydrophobicContact CG2-CE 3.7Å; I164-M298 HydrophobicContact CG2-CG 4.42Å; I164-M298 CarbonylContact O-C 3.6Å; I164-M298 VanDerWaalsContact O-O 3.14Å; P166-M298 HydrophobicContact CG-CB 3.99Å; P166-M298 HydrophobicContact CG-CG 3.72Å; M298-M300 VanDerWaalsContact C-N 3.26Å; M298-M300 PolarHBondContact O-N 3.18Å; M298-I325 HydrophobicContact SD-CG2 4.07Å; M298-N331 WeakPolarHBondContact CE-ND2 3.31Å
299S91.1Very high92.4Very high1 Ų138.4 Ų38.41%0.00718%0.179CC..THydrogen-bonded Turntrans-75.4-5.6-177.8-66.30000114.3I164 E169 Y197 G297I164-S299 WeakPolarHBondContact O-CA 3.43Å; E169-S299 PolarHBondContact OE2-OG 3.45Å; Y197-S299 PolarHBondContact OH-O 2.66Å; G297-S299 VanDerWaalsContact C-N 3.31Å; G297-S299 PolarHBondContact O-N 3.46Å
300M92.4Very high92.4Very high0 Ų034 Ų340%016%0.159CC..SBendtrans-54.8149.7-179.777.5174102.700112.9Y290 Y294 G295 S296 G297 M298 R302 L306 L322 I325Y290-M300 HydrophobicContact CE1-SD 4.39Å; Y294-M300 WeakPolarHBondContact O-CA 3.36Å; G295-M300 WeakPolarHBondContact O-CB 3.31Å; S296-M300 PolarHBondContact O-N 3.46Å; G297-M300 WeakPolarHBondContact O-CE 3.33Å; G297-M300 WeakPolarHBondContact O-CG 3.24Å; G297-M300 PolarHBondContact O-N 3.22Å; M298-M300 VanDerWaalsContact C-N 3.26Å; M298-M300 PolarHBondContact O-N 3.18Å; M300-R302 HydrophobicContact CG-CG 4.48Å; M300-R302 PolarHBondContact O-N 3.11Å; M300-L306 HydrophobicContact SD-CD1 4.47Å; M300-L306 HydrophobicContact SD-CD2 4.28Å; M300-L322 HydrophobicContact CE-CD2 4.36Å; M300-I325 HydrophobicContact CE-CB 4.49Å; M300-I325 HydrophobicContact CE-CD1 4.48Å; M300-I325 HydrophobicContact CE-CG2 3.53Å
301Y92Very high92.3Very high18 Ų1834.2 Ų34.27%0.07116%0.16CC..  trans-65.1133.5169.5-71.1-111.9000108.7L132 R134 T161 I163 Y197 Y290 Y294L132-Y301 HydrophobicContact CD2-CE1 3.85Å; R134-Y301 HydrophobicContact CG-CE1 4.23Å; T161-Y301 HydrophobicContact CG2-CD1 4.17Å; I163-Y301 HydrophobicContact CD1-CD1 3.91Å; I163-Y301 HydrophobicContact CD1-CE1 3.77Å; I163-Y301 HydrophobicContact CD1-CG 4.49Å; I163-Y301 HydrophobicContact CG1-CD1 4.33Å; Y197-Y301 HydrophobicContact CD1-CE2 4.18Å; Y197-Y301 AromaticContact CD1-CZ 3.94Å; Y197-Y301 HydrophobicContact CE1-CD2 4.19Å; Y197-Y301 AromaticContact CE1-CE2 3.52Å; Y197-Y301 HydrophobicContact CE1-CE2 3.52Å; Y197-Y301 AromaticContact CE1-CZ 3.74Å; Y290-Y301 PolarHBondContact OH-O 3.05Å; Y294-Y301 HydrophobicContact CD1-CG 4.29Å; Y294-Y301 WeakPolarHBondContact O-CD2 3.32Å; Y294-Y301 PolarHBondContact O-N 3.5Å
302R93.4Very high92.2Very high26 Ų2634.6 Ų34.610%0.09816%0.164CC..EExtended strand (participates in β ladder)trans-108.1100.8174.1-57.9-178.3-179-155.4-5.4108.5T161 K162 I164 M300 L306 I325T161-R302 CarbonylContact C-O 3.51Å; T161-R302 VanDerWaalsContact CA-O 3.26Å; T161-R302 WeakPolarHBondContact CA-O 3.35Å; K162-R302 HydrophobicContact CB-CB 4.24Å; K162-R302 PolarHBondContact N-O 3.09Å; K162-R302 WeakPolarHBondContact O-CB 3.49Å; K162-R302 PolarHBondContact O-N 3.09Å; I164-R302 VanDerWaalsContact CD1-CZ 3.47Å; M300-R302 HydrophobicContact CG-CG 4.48Å; M300-R302 PolarHBondContact O-N 3.11Å; R302-L306 HydrophobicContact CB-CD2 3.98Å; R302-L306 HydrophobicContact CG-CD2 3.96Å; R302-I325 PolarHBondContact NH2-O 3.44Å
303N92.3Very high92.3Very high18 Ų1826.7 Ų26.710%0.09613%0.127CC..EExtended strand (participates in β ladder)trans-129.7-177.9-174.464.117.7000112.8S160 Y290 Y294 R305 L306 K307S160-N303 WeakPolarHBondContact O-CA 3.48Å; Y290-N303 WeakPolarHBondContact CE2-OD1 2.94Å; Y290-N303 PolarHBondContact OH-OD1 2.92Å; Y294-N303 VanDerWaalsContact CD1-ND2 3.31Å; Y294-N303 WeakPolarHBondContact CD1-ND2 3.31Å; Y294-N303 WeakPolarHBondContact CE1-ND2 3.48Å; N303-R305 PolarHBondContact O-N 3.34Å; N303-R305 PolarHBondContact OD1-N 3.47Å; N303-L306 WeakPolarHBondContact O-CB 3.23Å; N303-L306 PolarHBondContact O-N 2.79Å; N303-L306 PolarHBondContact OD1-N 3.06Å; N303-L306 VanDerWaalsContact OD1-N 3.11Å; N303-K307 PolarHBondContact O-N 3.17Å
304E91Very high92.6Very high90 Ų9023 Ų2342%0.42111%0.11SC..Hα-helixtrans-59.7-31.7-178.8-167.965.9-174.800113K307 H308E304-K307 VanDerWaalsContact CD-NZ 3.3Å; E304-K307 WeakPolarHBondContact O-CB 3.36Å; E304-K307 PolarHBondContact O-N 3.39Å; E304-K307 WeakPolarHBondContact OE1-CE 3.46Å; E304-K307 IonicContact OE1-NZ 3.5Å; E304-K307 PolarHBondContact OE1-NZ 2.71Å; E304-K307 WeakPolarHBondContact OE2-CE 3.4Å; E304-K307 IonicContact OE2-NZ 3.91Å; E304-K307 PolarHBondContact OE2-NZ 3.26Å; E304-K307 VanDerWaalsContact OE2-NZ 3.16Å; E304-H308 PolarHBondContact O-CD2 3.42Å; E304-H308 PolarHBondContact O-N 3.11Å
305R94.4Very high92.7Very high80 Ų8021.3 Ų21.330%0.30210%0.103SC..Hα-helixtrans-66.9-38.3175.5-174.7-178.6-177.2166.77.6111.4E289 Y290 E293 N303 K307 H308 L309E289-R305 IonicContact OE1-CZ 3.82Å; E289-R305 IonicContact OE1-NH1 3.29Å; E289-R305 PolarHBondContact OE1-NH1 2.98Å; E289-R305 IonicContact OE1-NH2 3.93Å; E289-R305 PolarHBondContact OE1-NH2 3.12Å; E289-R305 IonicContact OE2-NH2 2.68Å; E289-R305 PolarHBondContact OE2-NH2 3.38Å; Y290-R305 HydrophobicContact CD2-CB 4.35Å; Y290-R305 HydrophobicContact CD2-CG 3.84Å; Y290-R305 HydrophobicContact CE2-CB 3.9Å; Y290-R305 HydrophobicContact CE2-CG 3.92Å; E293-R305 IonicContact OE2-NH1 2.76Å; E293-R305 PolarHBondContact OE2-NH1 3.13Å; N303-R305 PolarHBondContact O-N 3.34Å; N303-R305 PolarHBondContact OD1-N 3.47Å; R305-K307 VanDerWaalsContact C-N 3.34Å; R305-K307 PolarHBondContact O-N 3.07Å; R305-H308 PolarHBondContact O-N 3.41Å; R305-L309 WeakPolarHBondContact O-CG 3.44Å; R305-L309 PolarHBondContact O-N 2.87Å
306L96.1Very high92.6Very high0 Ų022.9 Ų22.90%011%0.109CC..Hα-helixtrans-59.4-45.4170.9-179.459.9000111.1W287 Y290 M300 R302 N303 H308 L309 V310 L326 Y535W287-L306 HydrophobicContact CH2-CD1 3.55Å; W287-L306 HydrophobicContact CZ2-CD1 4.34Å; W287-L306 HydrophobicContact CZ3-CD1 3.94Å; Y290-L306 HydrophobicContact CE1-CB 4.32Å; Y290-L306 HydrophobicContact CE1-CD1 4.19Å; Y290-L306 HydrophobicContact CE2-CB 4.21Å; Y290-L306 WeakPolarHBondContact OH-CB 3.22Å; M300-L306 HydrophobicContact SD-CD1 4.47Å; M300-L306 HydrophobicContact SD-CD2 4.28Å; R302-L306 HydrophobicContact CB-CD2 3.98Å; R302-L306 HydrophobicContact CG-CD2 3.96Å; N303-L306 WeakPolarHBondContact O-CB 3.23Å; N303-L306 PolarHBondContact O-N 2.79Å; N303-L306 PolarHBondContact OD1-N 3.06Å; N303-L306 VanDerWaalsContact OD1-N 3.11Å; L306-H308 VanDerWaalsContact C-N 3.28Å; L306-H308 PolarHBondContact O-N 2.76Å; L306-L309 WeakPolarHBondContact O-CB 3.2Å; L306-L309 PolarHBondContact O-N 3.38Å; L306-L309 VanDerWaalsContact O-N 3.11Å; L306-V310 HydrophobicContact CD1-CG2 4.2Å; L306-V310 HydrophobicContact CG-CG2 4.34Å; L306-V310 WeakPolarHBondContact O-CG2 3.23Å; L306-V310 PolarHBondContact O-N 2.74Å; L306-L326 HydrophobicContact CD2-CD2 4.18Å; L306-Y535 HydrophobicContact CD2-CD2 4.29Å; L306-Y535 HydrophobicContact CD2-CE2 3.91Å; L306-Y535 HydrophobicContact CG-CD2 4.33Å; L306-Y535 HydrophobicContact CG-CE2 3.98Å
307K94.8Very high92.5Very high27 Ų2724.4 Ų24.412%0.11713%0.13CC..Hα-helixtrans-56.3-44.5177.4-169.8177.166.3175.20111.6N303 E304 R305 L309 V310 L311 F532 Y535 D598N303-K307 PolarHBondContact O-N 3.17Å; E304-K307 VanDerWaalsContact CD-NZ 3.3Å; E304-K307 WeakPolarHBondContact O-CB 3.36Å; E304-K307 PolarHBondContact O-N 3.39Å; E304-K307 WeakPolarHBondContact OE1-CE 3.46Å; E304-K307 IonicContact OE1-NZ 3.5Å; E304-K307 PolarHBondContact OE1-NZ 2.71Å; E304-K307 WeakPolarHBondContact OE2-CE 3.4Å; E304-K307 IonicContact OE2-NZ 3.91Å; E304-K307 PolarHBondContact OE2-NZ 3.26Å; E304-K307 VanDerWaalsContact OE2-NZ 3.16Å; R305-K307 VanDerWaalsContact C-N 3.34Å; R305-K307 PolarHBondContact O-N 3.07Å; K307-L309 PolarHBondContact O-N 3.49Å; K307-V310 PolarHBondContact O-N 2.93Å; K307-L311 HydrophobicContact CG-CD1 4.2Å; K307-L311 WeakPolarHBondContact O-CB 3.27Å; K307-L311 WeakPolarHBondContact O-CG 3.02Å; K307-L311 PolarHBondContact O-N 2.98Å; K307-F532 HydrophobicContact CG-CE2 4.24Å; K307-Y535 HydrophobicContact CB-CE1 3.92Å; K307-Y535 WeakPolarHBondContact CB-OH 2.91Å; K307-Y535 HydrophobicContact CD-CE1 4.15Å; K307-Y535 HydrophobicContact CG-CD1 4.47Å; K307-Y535 HydrophobicContact CG-CE1 3.64Å; K307-D598 WeakPolarHBondContact CE-OD2 2.9Å; K307-D598 IonicContact NZ-OD2 3.52Å; K307-D598 PolarHBondContact NZ-OD2 3.11Å
308H94.7Very high92.6Very high77 Ų7726.6 Ų26.636%0.35614%0.137SC..Hα-helixtrans-62.5-40.5177-75.8-58.2000112.9E304 R305 L306 L311 N312E304-H308 PolarHBondContact O-CD2 3.42Å; E304-H308 PolarHBondContact O-N 3.11Å; R305-H308 PolarHBondContact O-N 3.41Å; L306-H308 VanDerWaalsContact C-N 3.28Å; L306-H308 PolarHBondContact O-N 2.76Å; H308-L311 PolarHBondContact O-N 3.48Å; H308-N312 PolarHBondContact O-N 2.79Å; H308-N312 VanDerWaalsContact O-N 3.1Å; H308-N312 PolarHBondContact O-ND2 3.17Å
309L96.1Very high92.9Very high13 Ų1327 Ų277%0.06814%0.138CC..Hα-helixtrans-64.5-42.2175.7-68.2174000112D286 W287 Y290 R305 L306 K307 N312 G313D286-L309 HydrophobicContact CB-CD2 3.69Å; W287-L309 HydrophobicContact CD2-CD1 4.41Å; W287-L309 HydrophobicContact CZ2-CB 3.89Å; Y290-L309 HydrophobicContact CD1-CD1 4.33Å; Y290-L309 HydrophobicContact CD2-CD1 3.53Å; Y290-L309 HydrophobicContact CE2-CD1 4.38Å; Y290-L309 HydrophobicContact CG-CD1 3.51Å; R305-L309 WeakPolarHBondContact O-CG 3.44Å; R305-L309 PolarHBondContact O-N 2.87Å; L306-L309 WeakPolarHBondContact O-CB 3.2Å; L306-L309 PolarHBondContact O-N 3.38Å; L306-L309 VanDerWaalsContact O-N 3.11Å; K307-L309 PolarHBondContact O-N 3.49Å; L309-N312 PolarHBondContact O-N 3.37Å; L309-G313 PolarHBondContact O-N 2.9Å
310V96.1Very high93Very high0 Ų027.1 Ų27.10%014%0.141CC..Hα-helixtrans-64.6-42.8176.31770000111.1W287 L306 K307 N312 G313 L314 L326 D531 F532 Y535W287-V310 HydrophobicContact CH2-CG2 4.48Å; W287-V310 HydrophobicContact CZ2-CG2 4.35Å; L306-V310 HydrophobicContact CD1-CG2 4.2Å; L306-V310 HydrophobicContact CG-CG2 4.34Å; L306-V310 WeakPolarHBondContact O-CG2 3.23Å; L306-V310 PolarHBondContact O-N 2.74Å; K307-V310 PolarHBondContact O-N 2.93Å; V310-N312 VanDerWaalsContact C-N 3.25Å; V310-N312 PolarHBondContact O-N 3.15Å; V310-G313 WeakPolarHBondContact O-CA 3.24Å; V310-G313 PolarHBondContact O-N 3.36Å; V310-L314 HydrophobicContact CG2-CD2 4.09Å; V310-L326 HydrophobicContact CG2-CD1 4.22Å; V310-D531 WeakPolarHBondContact CG1-O 3.31Å; V310-F532 HydrophobicContact CG1-CB 4.35Å; V310-F532 HydrophobicContact CG1-CD2 4.05Å; V310-Y535 HydrophobicContact CB-CG 4.41Å; V310-Y535 HydrophobicContact CG1-CG 4.22Å; V310-Y535 HydrophobicContact CG2-CD2 4.02Å; V310-Y535 HydrophobicContact CG2-CG 4.11Å
311L93.6Very high93.1Very high4 Ų428.2 Ų28.22%0.02115%0.148CC..Hα-helixtrans-61.1-34.5176.8-76.7169.9000112.4K307 H308 G313 F532 Y591 L594K307-L311 HydrophobicContact CG-CD1 4.2Å; K307-L311 WeakPolarHBondContact O-CB 3.27Å; K307-L311 WeakPolarHBondContact O-CG 3.02Å; K307-L311 PolarHBondContact O-N 2.98Å; H308-L311 PolarHBondContact O-N 3.48Å; L311-G313 PolarHBondContact O-N 2.84Å; L311-F532 HydrophobicContact CD2-CD1 4.1Å; L311-F532 HydrophobicContact CD2-CD2 3.97Å; L311-F532 HydrophobicContact CD2-CE1 3.99Å; L311-F532 HydrophobicContact CD2-CE2 3.86Å; L311-F532 HydrophobicContact CD2-CG 4.12Å; L311-F532 HydrophobicContact CD2-CZ 3.88Å; L311-F532 HydrophobicContact CG-CD2 4.38Å; L311-F532 HydrophobicContact CG-CE2 4.19Å; L311-Y591 HydrophobicContact CB-CE2 4.26Å; L311-Y591 WeakPolarHBondContact O-CD2 3.29Å; L311-L594 HydrophobicContact CD2-CB 3.81Å
312N91.3Very high93.4Very high51 Ų5127.5 Ų27.527%0.27315%0.146SC..THydrogen-bonded Turntrans-73.1-6.3173.8-73.8-28.3000113.7H308 L309 V310 Y528 Y591H308-N312 PolarHBondContact O-N 2.79Å; H308-N312 VanDerWaalsContact O-N 3.1Å; H308-N312 PolarHBondContact O-ND2 3.17Å; L309-N312 PolarHBondContact O-N 3.37Å; V310-N312 VanDerWaalsContact C-N 3.25Å; V310-N312 PolarHBondContact O-N 3.15Å; N312-Y528 WeakPolarHBondContact O-CE1 3.5Å; N312-Y591 WeakPolarHBondContact OD1-CE2 3.39Å
313G92.1Very high93.6Very high0 Ų026.3 Ų26.30%014%0.141CC..  trans91.9145.3-175.800000113.4R283 L309 V310 L311R283-G313 WeakPolarHBondContact CD-O 3.43Å; L309-G313 PolarHBondContact O-N 2.9Å; V310-G313 WeakPolarHBondContact O-CA 3.24Å; V310-G313 PolarHBondContact O-N 3.36Å; L311-G313 PolarHBondContact O-N 2.84Å
314L94.2Very high93.8Very high0 Ų025.4 Ų25.40%014%0.136CC..  trans-77.7145.9175.4-55.8-175.7000110.6W287 V310 E316 R319 L322 L326 D531W287-L314 HydrophobicContact CH2-CD2 3.75Å; W287-L314 HydrophobicContact CZ2-CD2 3.19Å; V310-L314 HydrophobicContact CG2-CD2 4.09Å; L314-E316 PolarHBondContact O-N 2.93Å; L314-R319 HydrophobicContact CB-CG 3.77Å; L314-R319 HydrophobicContact CD1-CG 4.48Å; L314-R319 PolarHBondContact O-NE 3.41Å; L314-R319 PolarHBondContact O-NH2 2.85Å; L314-L322 HydrophobicContact CB-CD1 4.43Å; L314-L322 HydrophobicContact CD1-CB 3.81Å; L314-L322 HydrophobicContact CD1-CD1 4.39Å; L314-L322 HydrophobicContact CD2-CD1 4.11Å; L314-L326 HydrophobicContact CD1-CD1 4.42Å; L314-D531 HydrophobicContact CD1-CB 4.12Å; L314-D531 WeakPolarHBondContact CD1-OD1 3.48Å; L314-D531 HydrophobicContact CG-CB 3.83Å; L314-D531 VanDerWaalsContact CG-CG 3.45Å; L314-D531 PolarHBondContact N-OD2 2.74Å
315P92.8Very high94Very high0 Ų021.3 Ų21.30%012%0.117CC..  trans-58.7136.7171.3-20.230.5000110.7E280 R283 L284 W287 G317 K318 R319E280-P315 WeakPolarHBondContact OE1-CA 3.33Å; R283-P315 HydrophobicContact CB-CG 4.35Å; L284-P315 HydrophobicContact CD2-CB 3.54Å; L284-P315 HydrophobicContact CD2-CG 4.06Å; L284-P315 HydrophobicContact CG-CB 4.04Å; W287-P315 HydrophobicContact CB-CG 4.32Å; W287-P315 HydrophobicContact CG-CG 3.89Å; P315-G317 VanDerWaalsContact C-N 3.33Å; P315-G317 PolarHBondContact O-N 2.92Å; P315-K318 HydrophobicContact CB-CB 4.22Å; P315-K318 HydrophobicContact CB-CG 4.33Å; P315-K318 CarbonylContact O-C 3.56Å; P315-K318 PolarHBondContact O-N 2.85Å; P315-R319 PolarHBondContact O-N 2.88Å
316E88.1Confident94.1Very high37 Ų3717.6 Ų17.617%0.17310%0.103CC..G310 helixtrans-57-46.3-171-178.6165.9-166.600111.8S273 E280 L314 K318 R319 Y411S273-E316 PolarHBondContact OG-OE2 2.73Å; S273-E316 VanDerWaalsContact OG-OE2 3.05Å; E280-E316 PolarHBondContact OE1-N 3.44Å; L314-E316 PolarHBondContact O-N 2.93Å; E316-K318 PolarHBondContact O-N 3.49Å; E316-R319 PolarHBondContact O-N 3.37Å; E316-Y411 HydrophobicContact CG-CE1 4.22Å
317G87.2Confident94Very high62 Ų6217.6 Ų17.664%0.63910%0.103SC*.G310 helixtrans-71.5-7.8178.400000115.2P315P315-G317 VanDerWaalsContact C-N 3.33Å; P315-G317 PolarHBondContact O-N 2.92Å
318K91.9Very high94Very high54 Ų5416.3 Ų16.324%0.23510%0.098CC..G310 helixtrans-112.7-9.8-179.1-66-67.9-171.5177.80113.4F255 P315 E316 G320 S321 L322F255-K318 VanDerWaalsContact CB-NZ 3.34Å; F255-K318 HydrophobicContact CD1-CD 4.45Å; P315-K318 HydrophobicContact CB-CB 4.22Å; P315-K318 HydrophobicContact CB-CG 4.33Å; P315-K318 CarbonylContact O-C 3.56Å; P315-K318 PolarHBondContact O-N 2.85Å; E316-K318 PolarHBondContact O-N 3.49Å; K318-G320 PolarHBondContact O-N 3.19Å; K318-S321 PolarHBondContact O-N 2.9Å; K318-S321 PolarHBondContact O-OG 3.16Å; K318-L322 HydrophobicContact CB-CD1 3.79Å; K318-L322 HydrophobicContact CB-CG 4.35Å; K318-L322 WeakPolarHBondContact O-CB 3.32Å; K318-L322 WeakPolarHBondContact O-CG 3.41Å; K318-L322 PolarHBondContact O-N 3.47Å
319R94.9Very high94Very high8 Ų812.6 Ų12.63%0.038%0.081CC..Hα-helixtrans-49.5-55.9-178-84.9-176-170.9113.610112.9L314 P315 E316 S321 L322 W323 Y411 D531L314-R319 HydrophobicContact CB-CG 3.77Å; L314-R319 HydrophobicContact CD1-CG 4.48Å; L314-R319 PolarHBondContact O-NE 3.41Å; L314-R319 PolarHBondContact O-NH2 2.85Å; P315-R319 PolarHBondContact O-N 2.88Å; E316-R319 PolarHBondContact O-N 3.37Å; R319-S321 PolarHBondContact O-N 3.36Å; R319-L322 PolarHBondContact O-N 3.21Å; R319-L322 VanDerWaalsContact O-N 3.11Å; R319-W323 HydrophobicContact CB-CZ2 4.47Å; R319-W323 HydrophobicContact CG-CZ2 4.49Å; R319-W323 WeakPolarHBondContact O-CB 3.25Å; R319-W323 VanDerWaalsContact O-CG 3.24Å; R319-W323 PolarHBondContact O-N 3.29Å; R319-Y411 HydrophobicContact CB-CD1 3.99Å; R319-Y411 HydrophobicContact CB-CG 4.13Å; R319-D531 IonicContact NE-OD1 3.36Å; R319-D531 IonicContact NE-OD2 3.58Å
320G94.3Very high93.9Very high5 Ų513.6 Ų13.65%0.0529%0.085CC..Hα-helixtrans-55-50.4-176.800000113K318 L322 W323 M324 Y411 C412K318-G320 PolarHBondContact O-N 3.19Å; G320-L322 PolarHBondContact O-N 2.92Å; G320-W323 PolarHBondContact O-N 2.88Å; G320-M324 VanDerWaalsContact O-CG 3.29Å; G320-M324 WeakPolarHBondContact O-CG 3.44Å; G320-M324 PolarHBondContact O-N 3.35Å; G320-M324 VanDerWaalsContact O-N 3.14Å; G320-Y411 WeakPolarHBondContact CA-O 3.16Å; G320-C412 VanDerWaalsContact CA-SG 3.53Å
321S94.8Very high93.7Very high23 Ų2313.8 Ų13.816%0.1619%0.086CC..Hα-helixtrans-64-40.617751.20000113.3K318 R319 M324 I325K318-S321 PolarHBondContact O-N 2.9Å; K318-S321 PolarHBondContact O-OG 3.16Å; R319-S321 PolarHBondContact O-N 3.36Å; S321-M324 WeakPolarHBondContact O-CB 3.44Å; S321-M324 PolarHBondContact O-N 3.35Å; S321-I325 WeakPolarHBondContact O-CD1 3.5Å; S321-I325 VanDerWaalsContact O-CG1 3.31Å; S321-I325 WeakPolarHBondContact O-CG1 3.47Å; S321-I325 PolarHBondContact O-N 3.44Å; S321-I325 VanDerWaalsContact O-N 3.09Å
322L96.9Very high93.5Very high3 Ų314.3 Ų14.32%0.0169%0.088CC..Hα-helixtrans-72.9-35.5-178.5-75171.3000111.9W287 F291 M300 L314 K318 R319 G320 M324 I325 L326W287-L322 HydrophobicContact CD2-CD1 4.34Å; W287-L322 HydrophobicContact CE3-CD1 4.05Å; W287-L322 HydrophobicContact CE3-CD2 4.43Å; W287-L322 HydrophobicContact CH2-CD1 3.76Å; W287-L322 HydrophobicContact CH2-CD2 3.99Å; W287-L322 HydrophobicContact CH2-CG 4.48Å; W287-L322 HydrophobicContact CZ2-CD1 4.12Å; W287-L322 HydrophobicContact CZ3-CD1 3.73Å; W287-L322 HydrophobicContact CZ3-CD2 3.61Å; W287-L322 HydrophobicContact CZ3-CG 4.35Å; F291-L322 HydrophobicContact CZ-CD2 4.15Å; M300-L322 HydrophobicContact CE-CD2 4.36Å; L314-L322 HydrophobicContact CB-CD1 4.43Å; L314-L322 HydrophobicContact CD1-CB 3.81Å; L314-L322 HydrophobicContact CD1-CD1 4.39Å; L314-L322 HydrophobicContact CD2-CD1 4.11Å; K318-L322 HydrophobicContact CB-CD1 3.79Å; K318-L322 HydrophobicContact CB-CG 4.35Å; K318-L322 WeakPolarHBondContact O-CB 3.32Å; K318-L322 WeakPolarHBondContact O-CG 3.41Å; K318-L322 PolarHBondContact O-N 3.47Å; R319-L322 PolarHBondContact O-N 3.21Å; R319-L322 VanDerWaalsContact O-N 3.11Å; G320-L322 PolarHBondContact O-N 2.92Å; L322-M324 VanDerWaalsContact C-N 3.33Å; L322-I325 PolarHBondContact O-N 3.17Å; L322-L326 HydrophobicContact CB-CD1 4.5Å; L322-L326 VanDerWaalsContact O-CB 3.23Å; L322-L326 WeakPolarHBondContact O-CB 3.45Å; L322-L326 WeakPolarHBondContact O-CG 3.5Å; L322-L326 PolarHBondContact O-N 3.35Å
323W97.5Very high93.6Very high0 Ų013.3 Ų13.30%08%0.082CC..Hα-helixtrans-60.1-44.9171-69.7-5.8000110.9R319 G320 I325 S327 V407 L408 Y411 L420 V527 L530 D531 F534R319-W323 HydrophobicContact CB-CZ2 4.47Å; R319-W323 HydrophobicContact CG-CZ2 4.49Å; R319-W323 WeakPolarHBondContact O-CB 3.25Å; R319-W323 VanDerWaalsContact O-CG 3.24Å; R319-W323 PolarHBondContact O-N 3.29Å; G320-W323 PolarHBondContact O-N 2.88Å; W323-I325 PolarHBondContact O-N 2.77Å; W323-S327 WeakPolarHBondContact O-CB 3.47Å; W323-S327 PolarHBondContact O-N 3.34Å; W323-S327 PolarHBondContact O-OG 3.32Å; W323-V407 HydrophobicContact CH2-CG1 4.48Å; W323-L408 HydrophobicContact CE3-CD2 4.05Å; W323-L408 HydrophobicContact CZ3-CD2 3.96Å; W323-Y411 AromaticContact CH2-CD2 3.4Å; W323-Y411 HydrophobicContact CH2-CD2 3.4Å; W323-Y411 AromaticContact CH2-CE2 3.9Å; W323-Y411 HydrophobicContact CH2-CE2 3.9Å; W323-Y411 HydrophobicContact CH2-CG 4.15Å; W323-Y411 HydrophobicContact CZ2-CD2 4.34Å; W323-Y411 AromaticContact CZ3-CD2 3.61Å; W323-Y411 HydrophobicContact CZ3-CD2 3.61Å; W323-Y411 HydrophobicContact CZ3-CG 4.15Å; W323-L420 HydrophobicContact CB-CD1 4.05Å; W323-L420 HydrophobicContact CB-CD2 4.08Å; W323-L420 HydrophobicContact CE3-CD1 4.35Å; W323-V527 HydrophobicContact CH2-CG1 4.48Å; W323-V527 HydrophobicContact CZ2-CG1 4.08Å; W323-L530 HydrophobicContact CH2-CB 4.45Å; W323-L530 HydrophobicContact CH2-CD1 4.02Å; W323-L530 HydrophobicContact CZ2-CB 3.98Å; W323-L530 HydrophobicContact CZ2-CD1 4.37Å; W323-D531 PolarHBondContact NE1-OD1 2.58Å; W323-F534 HydrophobicContact CB-CD2 3.81Å; W323-F534 HydrophobicContact CB-CE2 4.02Å; W323-F534 HydrophobicContact CB-CG 4.32Å; W323-F534 AromaticContact CD1-CD2 3.52Å; W323-F534 AromaticContact CD2-CD2 3.73Å; W323-F534 HydrophobicContact CD2-CD2 3.73Å; W323-F534 AromaticContact CD2-CE2 3.57Å; W323-F534 HydrophobicContact CD2-CE2 3.57Å; W323-F534 AromaticContact CE2-CD2 3.97Å; W323-F534 HydrophobicContact CE3-CD2 4.45Å; W323-F534 AromaticContact CE3-CE2 3.84Å; W323-F534 HydrophobicContact CE3-CE2 3.84Å; W323-F534 AromaticContact CG-CD2 3.41Å; W323-F534 HydrophobicContact CG-CD2 3.41Å; W323-F534 VanDerWaalsContact CG-CD2 3.41Å; W323-F534 AromaticContact CG-CE2 3.68Å; W323-F534 HydrophobicContact CG-CE2 3.68Å; W323-F534 HydrophobicContact CG-CG 4.29Å; W323-F534 HydrophobicContact CZ3-CE2 4.47Å; W323-F534 AromaticContact NE1-CD2 3.85Å
324M97.1Very high93.4Very high0 Ų018.5 Ų18.50%011%0.105CC..Hα-helixtrans-57.7-46176.1-70.5-65.4-65.700112.1G320 S321 L322 S327 G328 A329 E330 M333 Q416 W419 L420G320-M324 VanDerWaalsContact O-CG 3.29Å; G320-M324 WeakPolarHBondContact O-CG 3.44Å; G320-M324 PolarHBondContact O-N 3.35Å; G320-M324 VanDerWaalsContact O-N 3.14Å; S321-M324 WeakPolarHBondContact O-CB 3.44Å; S321-M324 PolarHBondContact O-N 3.35Å; L322-M324 VanDerWaalsContact C-N 3.33Å; M324-S327 PolarHBondContact O-OG 2.91Å; M324-G328 PolarHBondContact O-N 3.33Å; M324-A329 HydrophobicContact CE-CB 4.08Å; M324-A329 PolarHBondContact O-N 2.87Å; M324-A329 VanDerWaalsContact O-N 3.15Å; M324-A329 HydrophobicContact SD-CB 4.01Å; M324-E330 HydrophobicContact CB-CB 4.11Å; M324-E330 HydrophobicContact CE-CB 4.4Å; M324-E330 PolarHBondContact O-N 2.77Å; M324-E330 VanDerWaalsContact O-N 3.13Å; M324-M333 HydrophobicContact CE-CB 4.2Å; M324-M333 HydrophobicContact CE-CE 4.07Å; M324-M333 HydrophobicContact CE-SD 3.74Å; M324-Q416 HydrophobicContact CE-CB 4.31Å; M324-Q416 HydrophobicContact CE-CG 4.11Å; M324-Q416 HydrophobicContact CG-CB 4.29Å; M324-Q416 HydrophobicContact CG-CG 4.19Å; M324-Q416 HydrophobicContact SD-CB 3.77Å; M324-Q416 HydrophobicContact SD-CG 4.04Å; M324-W419 HydrophobicContact CE-CB 4.19Å; M324-L420 HydrophobicContact CG-CD1 4.39Å; M324-L420 HydrophobicContact SD-CD1 3.91Å; M324-L420 HydrophobicContact SD-CD2 4.14Å; M324-L420 HydrophobicContact SD-CG 3.58Å; M324-L420 VanDerWaalsContact SD-CG 3.58Å
325I95.3Very high93Very high4 Ų420.8 Ų20.82%0.02112%0.124CC..Hα-helixtrans-70.3-48.4-179.2-65.9160.5000111.9M298 M300 R302 S321 L322 W323 G328 E330M298-I325 HydrophobicContact SD-CG2 4.07Å; M300-I325 HydrophobicContact CE-CB 4.49Å; M300-I325 HydrophobicContact CE-CD1 4.48Å; M300-I325 HydrophobicContact CE-CG2 3.53Å; R302-I325 PolarHBondContact NH2-O 3.44Å; S321-I325 WeakPolarHBondContact O-CD1 3.5Å; S321-I325 VanDerWaalsContact O-CG1 3.31Å; S321-I325 WeakPolarHBondContact O-CG1 3.47Å; S321-I325 PolarHBondContact O-N 3.44Å; S321-I325 VanDerWaalsContact O-N 3.09Å; L322-I325 PolarHBondContact O-N 3.17Å; W323-I325 PolarHBondContact O-N 2.77Å; I325-G328 PolarHBondContact O-N 2.87Å; I325-E330 WeakPolarHBondContact CG1-OE2 3.41Å
326L95.8Very high92.9Very high1 Ų123.3 Ų23.31%0.00514%0.137CC..Hα-helixtrans-69.2-39.6-173.7-67.2174.7000111.5H117 L306 V310 L314 L322 G328 F534 Y535H117-L326 PolarHBondContact ND1-O 2.94Å; L306-L326 HydrophobicContact CD2-CD2 4.18Å; V310-L326 HydrophobicContact CG2-CD1 4.22Å; L314-L326 HydrophobicContact CD1-CD1 4.42Å; L322-L326 HydrophobicContact CB-CD1 4.5Å; L322-L326 VanDerWaalsContact O-CB 3.23Å; L322-L326 WeakPolarHBondContact O-CB 3.45Å; L322-L326 WeakPolarHBondContact O-CG 3.5Å; L322-L326 PolarHBondContact O-N 3.35Å; L326-G328 VanDerWaalsContact C-N 3.29Å; L326-G328 PolarHBondContact O-N 3.34Å; L326-F534 CarbonylContact C-O 3.33Å; L326-F534 HydrophobicContact CB-CB 4.45Å; L326-Y535 HydrophobicContact CD2-CD2 4.18Å
327S95.3Very high93Very high0 Ų026.6 Ų26.60%016%0.162CC..Hα-helixtrans-74.1-15.4175.9690000114.3W323 M324 A329 L420 R427 F534W323-S327 WeakPolarHBondContact O-CB 3.47Å; W323-S327 PolarHBondContact O-N 3.34Å; W323-S327 PolarHBondContact O-OG 3.32Å; M324-S327 PolarHBondContact O-OG 2.91Å; S327-A329 PolarHBondContact O-N 3.32Å; S327-A329 VanDerWaalsContact OG-CB 3.29Å; S327-A329 WeakPolarHBondContact OG-CB 3.45Å; S327-A329 PolarHBondContact OG-N 3.19Å; S327-L420 VanDerWaalsContact OG-CD2 3.27Å; S327-L420 WeakPolarHBondContact OG-CD2 3.41Å; S327-R427 PolarHBondContact O-NH1 3.31Å; S327-R427 PolarHBondContact O-NH2 3.13Å; S327-F534 PolarHBondContact N-O 2.78Å
328G93.7Very high93.3Very high0 Ų025.1 Ų25.10%015%0.147CC..SBendtrans75.51.4-17200000114.9M324 I325 L326 E330 N331M324-G328 PolarHBondContact O-N 3.33Å; I325-G328 PolarHBondContact O-N 2.87Å; L326-G328 VanDerWaalsContact C-N 3.29Å; L326-G328 PolarHBondContact O-N 3.34Å; G328-E330 PolarHBondContact O-N 3.2Å; G328-N331 WeakPolarHBondContact O-CB 3.38Å; G328-N331 PolarHBondContact O-N 2.92Å; G328-N331 VanDerWaalsContact O-N 3.09Å
329A95.6Very high93.4Very high0 Ų025.7 Ų25.70%015%0.148CC..Hα-helixtrans-59.1-28.417800000112.9M324 S327 N331 E332 M333 W419 L420 A423M324-A329 HydrophobicContact CE-CB 4.08Å; M324-A329 PolarHBondContact O-N 2.87Å; M324-A329 VanDerWaalsContact O-N 3.15Å; M324-A329 HydrophobicContact SD-CB 4.01Å; S327-A329 PolarHBondContact O-N 3.32Å; S327-A329 VanDerWaalsContact OG-CB 3.29Å; S327-A329 WeakPolarHBondContact OG-CB 3.45Å; S327-A329 PolarHBondContact OG-N 3.19Å; A329-N331 VanDerWaalsContact C-N 3.27Å; A329-N331 PolarHBondContact O-N 3.27Å; A329-E332 PolarHBondContact O-N 3.05Å; A329-M333 PolarHBondContact O-N 3.28Å; A329-W419 HydrophobicContact CB-CB 4.25Å; A329-L420 HydrophobicContact CB-CD2 3.96Å; A329-L420 HydrophobicContact CB-CG 4.31Å; A329-A423 HydrophobicContact CB-CB 4.08Å
330E93.8Very high93.5Very high33 Ų3325.8 Ų25.815%0.15415%0.148CC..Hα-helixtrans-57.7-40175.1-170.5166.4-113.400112.4M324 I325 G328 E332 M333 F334M324-E330 HydrophobicContact CB-CB 4.11Å; M324-E330 HydrophobicContact CE-CB 4.4Å; M324-E330 PolarHBondContact O-N 2.77Å; M324-E330 VanDerWaalsContact O-N 3.13Å; I325-E330 WeakPolarHBondContact CG1-OE2 3.41Å; G328-E330 PolarHBondContact O-N 3.2Å; E330-E332 PolarHBondContact O-N 3.44Å; E330-M333 PolarHBondContact O-N 3.27Å; E330-F334 HydrophobicContact CG-CD2 3.58Å; E330-F334 HydrophobicContact CG-CE2 3.49Å; E330-F334 VanDerWaalsContact CG-CE2 3.49Å; E330-F334 VanDerWaalsContact O-CD2 3.23Å; E330-F334 WeakPolarHBondContact O-CD2 3.33Å; E330-F334 PolarHBondContact O-N 3Å
331N91.2Very high93.5Very high4 Ų430 Ų302%0.02117%0.17CC..Hα-helixtrans-65.6-41179.6-73-32.2000112.5P119 F151 M298 G328 A329 A335P119-N331 HydrophobicContact CG-CB 4.46Å; F151-N331 HydrophobicContact CE1-CB 4.26Å; F151-N331 VanDerWaalsContact CE1-ND2 3.34Å; F151-N331 WeakPolarHBondContact CE1-ND2 3.4Å; F151-N331 HydrophobicContact CZ-CB 3.86Å; M298-N331 WeakPolarHBondContact CE-ND2 3.31Å; G328-N331 WeakPolarHBondContact O-CB 3.38Å; G328-N331 PolarHBondContact O-N 2.92Å; G328-N331 VanDerWaalsContact O-N 3.09Å; A329-N331 VanDerWaalsContact C-N 3.27Å; A329-N331 PolarHBondContact O-N 3.27Å; N331-A335 VanDerWaalsContact O-CB 3.29Å; N331-A335 WeakPolarHBondContact O-CB 3.16Å; N331-A335 PolarHBondContact O-N 3.22Å
332E90.1Very high93.5Very high16 Ų1634.7 Ų34.78%0.07519%0.187CC..Hα-helixtrans-66.9-41.9177.9-68.1-177.3-139.500111.1P119 A329 E330 A335 N336 W419 R427P119-E332 HydrophobicContact CB-CG 4.09Å; P119-E332 HydrophobicContact CG-CG 3.83Å; A329-E332 PolarHBondContact O-N 3.05Å; E330-E332 PolarHBondContact O-N 3.44Å; E332-A335 PolarHBondContact O-N 2.68Å; E332-N336 WeakPolarHBondContact O-CB 3.22Å; E332-N336 PolarHBondContact O-N 3.15Å; E332-N336 PolarHBondContact O-ND2 2.92Å; E332-W419 HydrophobicContact CB-CD2 4.42Å; E332-W419 HydrophobicContact CB-CE3 3.62Å; E332-W419 HydrophobicContact CB-CH2 4.49Å; E332-W419 HydrophobicContact CB-CZ3 3.67Å; E332-R427 IonicContact OE1-CZ 2.67Å; E332-R427 IonicContact OE1-NE 3.65Å; E332-R427 PolarHBondContact OE1-NE 2.78Å; E332-R427 IonicContact OE1-NH2 3.88Å; E332-R427 PolarHBondContact OE1-NH2 3.47Å
333M93.1Very high93.3Very high29 Ų2935.2 Ų35.214%0.14319%0.19CC..Hα-helixtrans-58.8-50.1174.7-174.2176.879.900111.7M324 A329 E330 A335 N336 E415 Q416 W419M324-M333 HydrophobicContact CE-CB 4.2Å; M324-M333 HydrophobicContact CE-CE 4.07Å; M324-M333 HydrophobicContact CE-SD 3.74Å; A329-M333 PolarHBondContact O-N 3.28Å; E330-M333 PolarHBondContact O-N 3.27Å; M333-A335 VanDerWaalsContact C-N 3.31Å; M333-A335 PolarHBondContact O-N 2.75Å; M333-N336 CarbonylContact O-C 3.53Å; M333-N336 PolarHBondContact O-N 2.92Å; M333-E415 HydrophobicContact CG-CG 4.29Å; M333-E415 HydrophobicContact SD-CG 4.11Å; M333-Q416 HydrophobicContact SD-CG 4.05Å; M333-W419 HydrophobicContact CB-CB 4.38Å; M333-W419 VanDerWaalsContact CB-CD1 3.41Å; M333-W419 HydrophobicContact CB-CD2 4.17Å; M333-W419 HydrophobicContact CB-CG 3.75Å; M333-W419 HydrophobicContact CG-CG 4.2Å
334F88.8Confident93Very high109 Ų10936.3 Ų36.348%0.47820%0.196SC..Hα-helixtrans-65.4-32.9179.3-86.5-68.4000113.5E330 N336E330-F334 HydrophobicContact CG-CD2 3.58Å; E330-F334 HydrophobicContact CG-CE2 3.49Å; E330-F334 VanDerWaalsContact CG-CE2 3.49Å; E330-F334 VanDerWaalsContact O-CD2 3.23Å; E330-F334 WeakPolarHBondContact O-CD2 3.33Å; E330-F334 PolarHBondContact O-N 3Å; F334-N336 PolarHBondContact O-N 3.11Å
335A85.1Confident92.8Very high49 Ų4941.4 Ų41.441%0.40522%0.223SC..Hα-helixtrans-72.6-16.9177.800000113.2Y121 N331 E332 M333 P337Y121-A335 WeakPolarHBondContact OH-CB 3.5Å; N331-A335 VanDerWaalsContact O-CB 3.29Å; N331-A335 WeakPolarHBondContact O-CB 3.16Å; N331-A335 PolarHBondContact O-N 3.22Å; E332-A335 PolarHBondContact O-N 2.68Å; M333-A335 VanDerWaalsContact C-N 3.31Å; M333-A335 PolarHBondContact O-N 2.75Å; A335-P337 VanDerWaalsContact C-CD 3.41Å; A335-P337 WeakPolarHBondContact O-CD 3.39Å
336N90Very high92.3Very high52 Ų5242.8 Ų42.828%0.27824%0.238SC..SBendtrans-12760-173.7-64-81.9000111.9E332 M333 F334 G338 Y339 W419E332-N336 WeakPolarHBondContact O-CB 3.22Å; E332-N336 PolarHBondContact O-N 3.15Å; E332-N336 PolarHBondContact O-ND2 2.92Å; M333-N336 CarbonylContact O-C 3.53Å; M333-N336 PolarHBondContact O-N 2.92Å; F334-N336 PolarHBondContact O-N 3.11Å; N336-G338 PolarHBondContact O-N 3.44Å; N336-Y339 HydrophobicContact CB-CG 4.3Å; N336-Y339 WeakPolarHBondContact O-CB 3.44Å; N336-Y339 PolarHBondContact O-N 2.8Å; N336-Y339 VanDerWaalsContact O-N 3.16Å; N336-W419 HydrophobicContact CB-CH2 3.66Å; N336-W419 HydrophobicContact CB-CZ2 3.61Å
337P91.1Very high91.8Very high107 Ų10743.5 Ų43.570%0.69524%0.242SC*.THydrogen-bonded Turntrans-61.8131-177.126.3-34.1000111.8A335 Y339A335-P337 VanDerWaalsContact C-CD 3.41Å; A335-P337 WeakPolarHBondContact O-CD 3.39Å; P337-Y339 PolarHBondContact O-N 3.16Å
338G93.2Very high91Very high30 Ų3050.4 Ų50.431%0.30928%0.275SS..THydrogen-bonded Turntrans745.9-18000000114.8N336 D341 K342N336-G338 PolarHBondContact O-N 3.44Å; G338-D341 PolarHBondContact O-N 3.3Å; G338-K342 WeakPolarHBondContact O-CG 3.37Å; G338-K342 PolarHBondContact O-N 2.96Å
339Y94.6Very high90.1Very high67 Ų6754.4 Ų54.426%0.26332%0.316SS..Hα-helixtrans-65-42.5-178.1-178.5-101.6000112.6N336 P337 D341 K342 L343 R391 F418 W419N336-Y339 HydrophobicContact CB-CG 4.3Å; N336-Y339 WeakPolarHBondContact O-CB 3.44Å; N336-Y339 PolarHBondContact O-N 2.8Å; N336-Y339 VanDerWaalsContact O-N 3.16Å; P337-Y339 PolarHBondContact O-N 3.16Å; Y339-D341 PolarHBondContact O-N 2.87Å; Y339-K342 PolarHBondContact O-N 3.33Å; Y339-L343 HydrophobicContact CD1-CD1 3.84Å; Y339-L343 HydrophobicContact CD1-CG 4.28Å; Y339-L343 HydrophobicContact CE1-CD1 3.34Å; Y339-L343 HydrophobicContact CE1-CD2 4.29Å; Y339-L343 HydrophobicContact CE1-CG 3.91Å; Y339-L343 WeakPolarHBondContact O-CG 3.34Å; Y339-L343 PolarHBondContact O-N 2.96Å; Y339-R391 VanDerWaalsContact CE1-NH1 3.25Å; Y339-R391 PolarHBondContact OH-NH1 3.05Å; Y339-F418 HydrophobicContact CD1-CE1 4.09Å; Y339-F418 HydrophobicContact CD1-CZ 4.26Å; Y339-F418 HydrophobicContact CE1-CE1 4.23Å; Y339-F418 AromaticContact CE1-CZ 3.97Å; Y339-F418 HydrophobicContact CE1-CZ 3.97Å; Y339-W419 AromaticContact CD1-CH2 3.86Å; Y339-W419 HydrophobicContact CD1-CH2 3.86Å; Y339-W419 AromaticContact CD1-CZ2 3.76Å; Y339-W419 HydrophobicContact CD1-CZ2 3.76Å; Y339-W419 HydrophobicContact CE1-CH2 4.36Å; Y339-W419 HydrophobicContact CG-CH2 4.5Å; Y339-W419 HydrophobicContact CG-CZ2 4.3Å
340Y95.9Very high88.9Confident9 Ų957.4 Ų57.44%0.03534%0.336CS..Hα-helixtrans-61.5-45.1178-178.4-107.6000111.9K342 L343 I344 A387 E414 E415 F418Y340-K342 VanDerWaalsContact C-N 3.34Å; Y340-K342 PolarHBondContact O-N 3.14Å; Y340-L343 WeakPolarHBondContact O-CB 3.42Å; Y340-L343 PolarHBondContact O-N 3.39Å; Y340-L343 VanDerWaalsContact O-N 3.16Å; Y340-I344 HydrophobicContact CD1-CG1 4.2Å; Y340-I344 HydrophobicContact CD2-CG1 4.47Å; Y340-I344 HydrophobicContact CE1-CD1 4.36Å; Y340-I344 HydrophobicContact CE1-CG1 3.78Å; Y340-I344 HydrophobicContact CE2-CD1 4.12Å; Y340-I344 HydrophobicContact CE2-CG1 4.08Å; Y340-I344 WeakPolarHBondContact O-CG1 3.39Å; Y340-I344 PolarHBondContact O-N 3.33Å; Y340-A387 HydrophobicContact CD2-CB 4.1Å; Y340-A387 HydrophobicContact CE2-CB 3.61Å; Y340-E414 HydrophobicContact CE1-CB 4.12Å; Y340-E415 HydrophobicContact CD1-CB 4.1Å; Y340-E415 HydrophobicContact CG-CB 4.28Å; Y340-E415 HydrophobicContact CG-CG 4.33Å; Y340-F418 HydrophobicContact CD2-CB 3.7Å; Y340-F418 AromaticContact CD2-CD1 3.71Å; Y340-F418 HydrophobicContact CD2-CD1 3.71Å; Y340-F418 AromaticContact CD2-CD2 3.85Å; Y340-F418 HydrophobicContact CD2-CD2 3.85Å; Y340-F418 HydrophobicContact CD2-CE1 4.28Å; Y340-F418 HydrophobicContact CD2-CE2 4.39Å; Y340-F418 AromaticContact CD2-CG 3.46Å; Y340-F418 HydrophobicContact CD2-CG 3.46Å; Y340-F418 VanDerWaalsContact CD2-CG 3.46Å; Y340-F418 HydrophobicContact CE2-CB 3.65Å; Y340-F418 HydrophobicContact CE2-CD1 4.47Å; Y340-F418 AromaticContact CE2-CD2 3.95Å; Y340-F418 HydrophobicContact CE2-CD2 3.95Å; Y340-F418 AromaticContact CE2-CG 3.77Å; Y340-F418 HydrophobicContact CE2-CG 3.77Å; Y340-F418 HydrophobicContact CG-CD1 4.47Å
341D94.9Very high87.8Confident95 Ų9561.8 Ų61.851%0.50836%0.361SS..Hα-helixtrans-61.8-42.3176.9-65.8-34000111.8G338 Y339 L343 I344 N345G338-D341 PolarHBondContact O-N 3.3Å; Y339-D341 PolarHBondContact O-N 2.87Å; D341-L343 VanDerWaalsContact C-N 3.32Å; D341-L343 PolarHBondContact O-N 3.13Å; D341-I344 PolarHBondContact O-N 3.06Å; D341-N345 WeakPolarHBondContact O-CB 3.41Å; D341-N345 PolarHBondContact O-N 3.29Å; D341-N345 PolarHBondContact O-ND2 3.26Å
342K94.4Very high87.1Confident121 Ų12164.8 Ų64.853%0.52638%0.377SS..Hα-helixtrans-58.7-43.4174.2-72.9-174.6-170.4-156.20111.6G338 Y339 Y340 G346 E821G338-K342 WeakPolarHBondContact O-CG 3.37Å; G338-K342 PolarHBondContact O-N 2.96Å; Y339-K342 PolarHBondContact O-N 3.33Å; Y340-K342 VanDerWaalsContact C-N 3.34Å; Y340-K342 PolarHBondContact O-N 3.14Å; K342-G346 PolarHBondContact O-N 3.3Å; K342-E821 IonicContact NZ-OE1 3.81Å; K342-E821 PolarHBondContact NZ-OE1 2.79Å
343L91.9Very high86.4Confident13 Ų1365.6 Ų65.67%0.06838%0.38CS..Hα-helixtrans-61.8-52.9175.7-68.8175.3000111Y339 Y340 D341 N345 G346 V347 A387 Y390 R391 F418Y339-L343 HydrophobicContact CD1-CD1 3.84Å; Y339-L343 HydrophobicContact CD1-CG 4.28Å; Y339-L343 HydrophobicContact CE1-CD1 3.34Å; Y339-L343 HydrophobicContact CE1-CD2 4.29Å; Y339-L343 HydrophobicContact CE1-CG 3.91Å; Y339-L343 WeakPolarHBondContact O-CG 3.34Å; Y339-L343 PolarHBondContact O-N 2.96Å; Y340-L343 WeakPolarHBondContact O-CB 3.42Å; Y340-L343 PolarHBondContact O-N 3.39Å; Y340-L343 VanDerWaalsContact O-N 3.16Å; D341-L343 VanDerWaalsContact C-N 3.32Å; D341-L343 PolarHBondContact O-N 3.13Å; L343-N345 VanDerWaalsContact C-N 3.26Å; L343-N345 PolarHBondContact O-N 3.45Å; L343-G346 CarbonylContact O-C 3.49Å; L343-G346 WeakPolarHBondContact O-CA 3.41Å; L343-G346 PolarHBondContact O-N 3.34Å; L343-V347 WeakPolarHBondContact O-CG2 3.35Å; L343-V347 PolarHBondContact O-N 3.11Å; L343-A387 HydrophobicContact CB-CB 4.39Å; L343-A387 HydrophobicContact CD1-CB 4.46Å; L343-Y390 HydrophobicContact CD2-CD1 3.68Å; L343-Y390 HydrophobicContact CD2-CE1 4.17Å; L343-R391 HydrophobicContact CD1-CB 4.09Å; L343-F418 HydrophobicContact CD1-CE1 4.25Å; L343-F418 HydrophobicContact CD1-CE2 3.75Å; L343-F418 HydrophobicContact CD1-CZ 3.36Å
344I92.7Very high85.8Confident24 Ų2464.9 Ų64.912%0.12338%0.378CS..Hα-helixtrans-56.7-41.9-178.2-67.9-62.8000111.7Y340 D341 G346 V347 Q348 R383 A387Y340-I344 HydrophobicContact CD1-CG1 4.2Å; Y340-I344 HydrophobicContact CD2-CG1 4.47Å; Y340-I344 HydrophobicContact CE1-CD1 4.36Å; Y340-I344 HydrophobicContact CE1-CG1 3.78Å; Y340-I344 HydrophobicContact CE2-CD1 4.12Å; Y340-I344 HydrophobicContact CE2-CG1 4.08Å; Y340-I344 WeakPolarHBondContact O-CG1 3.39Å; Y340-I344 PolarHBondContact O-N 3.33Å; D341-I344 PolarHBondContact O-N 3.06Å; I344-G346 VanDerWaalsContact C-N 3.34Å; I344-V347 PolarHBondContact O-N 3.47Å; I344-Q348 PolarHBondContact O-N 3.25Å; I344-R383 HydrophobicContact CD1-CB 3.68Å; I344-R383 HydrophobicContact CD1-CG 3.98Å; I344-R383 WeakPolarHBondContact CD1-O 3.45Å; I344-A387 HydrophobicContact CD1-CB 3.83Å
345N91.7Very high85.7Confident106 Ų10660.9 Ų60.957%0.56736%0.361SS*.Hα-helixtrans-65.9-37.8175.5-67.1-25.2000111.9D341 L343 Q348D341-N345 WeakPolarHBondContact O-CB 3.41Å; D341-N345 PolarHBondContact O-N 3.29Å; D341-N345 PolarHBondContact O-ND2 3.26Å; L343-N345 VanDerWaalsContact C-N 3.26Å; L343-N345 PolarHBondContact O-N 3.45Å; N345-Q348 PolarHBondContact O-N 2.84Å
346G86Confident85.7Confident34 Ų3462.9 Ų62.935%0.35136%0.362SS..Hα-helixtrans-67.8-29.6177.500000114.8K342 L343 I344K342-G346 PolarHBondContact O-N 3.3Å; L343-G346 CarbonylContact O-C 3.49Å; L343-G346 WeakPolarHBondContact O-CA 3.41Å; L343-G346 PolarHBondContact O-N 3.34Å; I344-G346 VanDerWaalsContact C-N 3.34Å
347V85.1Confident85.6Confident15 Ų1562.9 Ų62.99%0.09136%0.361CS..Hα-helixtrans-89.7-8177-102.40000114.4L343 I344 G349 C350 T386 Y390L343-V347 WeakPolarHBondContact O-CG2 3.35Å; L343-V347 PolarHBondContact O-N 3.11Å; I344-V347 PolarHBondContact O-N 3.47Å; V347-G349 PolarHBondContact O-N 2.81Å; V347-C350 WeakPolarHBondContact O-CB 3.44Å; V347-C350 PolarHBondContact O-N 3.09Å; V347-C350 VanDerWaalsContact O-N 3.09Å; V347-T386 HydrophobicContact CB-CG2 3.86Å; V347-T386 HydrophobicContact CG1-CG2 3.77Å; V347-T386 HydrophobicContact CG2-CG2 4.03Å; V347-Y390 HydrophobicContact CG1-CD1 4.31Å; V347-Y390 HydrophobicContact CG1-CD2 3.62Å; V347-Y390 HydrophobicContact CG1-CE2 4.33Å; V347-Y390 HydrophobicContact CG1-CG 3.61Å
348Q78.5Confident85.6Confident145 Ų14557.9 Ų57.968%0.67833%0.328SS*.THydrogen-bonded Turntrans-60.4123.4178.4-85.5-173.44.100111.4I344 N345 C350I344-Q348 PolarHBondContact O-N 3.25Å; N345-Q348 PolarHBondContact O-N 2.84Å; Q348-C350 VanDerWaalsContact C-N 3.25Å; Q348-C350 PolarHBondContact O-N 3.38Å
349G74.1Confident85.5Confident85 Ų8560 Ų6088%0.87633%0.33SS*.THydrogen-bonded Turntrans81.3-4.4179.900000114.9V347 N351V347-G349 PolarHBondContact O-N 2.81Å; G349-N351 PolarHBondContact O-N 3.01Å
350C70Confident85.2Confident62 Ų6262 Ų6242%0.41934%0.337SS..  trans-74.6118170.5-61.80000109.2V347 Q348 N355V347-C350 WeakPolarHBondContact O-CB 3.44Å; V347-C350 PolarHBondContact O-N 3.09Å; V347-C350 VanDerWaalsContact O-N 3.09Å; Q348-C350 VanDerWaalsContact C-N 3.25Å; Q348-C350 PolarHBondContact O-N 3.38Å; C350-N355 PolarHBondContact O-ND2 2.73Å
351N71Confident84.9Confident125 Ų12562.4 Ų62.467%0.66834%0.339SS*.  trans-110.8123.6166.9-164.925.5000108.6G349G349-N351 PolarHBondContact O-N 3.01Å
352N76.1Confident84.8Confident68 Ų6857.9 Ų57.936%0.36432%0.315SS..  trans-142.8169.7176.165.411.3000108.9V354 N355 E356N352-V354 PolarHBondContact O-N 2.94Å; N352-V354 PolarHBondContact OD1-N 3.42Å; N352-N355 WeakPolarHBondContact O-CB 2.97Å; N352-N355 PolarHBondContact O-N 3.03Å; N352-N355 VanDerWaalsContact OD1-CG 3.23Å; N352-N355 PolarHBondContact OD1-N 3.23Å; N352-N355 PolarHBondContact OD1-ND2 3.44Å; N352-E356 PolarHBondContact O-N 3.04Å
353F76.6Confident84.2Confident33 Ų3358.2 Ų58.215%0.14532%0.319CS..Hα-helixtrans-55.6-37.3-178.1-177.4-87.5000113.2N355 E356 E357 P677 N678F353-N355 VanDerWaalsContact C-N 3.32Å; F353-N355 PolarHBondContact O-N 3.26Å; F353-E356 WeakPolarHBondContact O-CB 3.48Å; F353-E356 PolarHBondContact O-N 2.91Å; F353-E356 VanDerWaalsContact O-N 3.11Å; F353-E357 HydrophobicContact CD1-CG 4.27Å; F353-E357 HydrophobicContact CE1-CG 3.52Å; F353-E357 WeakPolarHBondContact CE1-OE2 3.5Å; F353-E357 HydrophobicContact CZ-CG 4Å; F353-E357 PolarHBondContact O-N 3.08Å; F353-P677 HydrophobicContact CD1-CG 3.83Å; F353-P677 HydrophobicContact CE1-CG 3.02Å; F353-P677 HydrophobicContact CE2-CG 4.33Å; F353-P677 HydrophobicContact CZ-CG 3.31Å; F353-N678 WeakPolarHBondContact CE2-ND2 3.22Å
354V80.6Confident83.8Confident14 Ų1462.7 Ų62.79%0.08534%0.335CS..Hα-helixtrans-61.2-40.9178.3-179.90000111.5N352 E356 E357 I358 A389 N675N352-V354 PolarHBondContact O-N 2.94Å; N352-V354 PolarHBondContact OD1-N 3.42Å; V354-E356 VanDerWaalsContact C-N 3.31Å; V354-E356 PolarHBondContact O-N 3.41Å; V354-E357 WeakPolarHBondContact O-CB 3.19Å; V354-E357 PolarHBondContact O-N 3.05Å; V354-I358 HydrophobicContact CG1-CD1 4.17Å; V354-I358 WeakPolarHBondContact O-CG1 3.22Å; V354-I358 PolarHBondContact O-N 3.27Å; V354-A389 HydrophobicContact CG1-CB 3.73Å; V354-N675 HydrophobicContact CG2-CB 4.09Å
355N85.7Confident83.3Confident25 Ų2561.6 Ų61.613%0.13433%0.329CS..Hα-helixtrans-65.8-34.9175.7-70.6-18.2000112C350 N352 F353 I358 E359 T386C350-N355 PolarHBondContact O-ND2 2.73Å; N352-N355 WeakPolarHBondContact O-CB 2.97Å; N352-N355 PolarHBondContact O-N 3.03Å; N352-N355 VanDerWaalsContact OD1-CG 3.23Å; N352-N355 PolarHBondContact OD1-N 3.23Å; N352-N355 PolarHBondContact OD1-ND2 3.44Å; F353-N355 VanDerWaalsContact C-N 3.32Å; F353-N355 PolarHBondContact O-N 3.26Å; N355-I358 PolarHBondContact O-N 2.52Å; N355-E359 WeakPolarHBondContact O-CB 3.34Å; N355-E359 PolarHBondContact O-N 2.71Å; N355-T386 WeakPolarHBondContact OD1-CG2 3.32Å
356E85.9Confident82.7Confident91 Ų9158.5 Ų58.543%0.42531%0.311SS..Hα-helixtrans-67.8-37.1174.3-60.6-178.4172.800112.3N352 F353 V354 E359 R360N352-E356 PolarHBondContact O-N 3.04Å; F353-E356 WeakPolarHBondContact O-CB 3.48Å; F353-E356 PolarHBondContact O-N 2.91Å; F353-E356 VanDerWaalsContact O-N 3.11Å; V354-E356 VanDerWaalsContact C-N 3.31Å; V354-E356 PolarHBondContact O-N 3.41Å; E356-E359 PolarHBondContact O-N 2.99Å; E356-R360 WeakPolarHBondContact O-CG 3.46Å; E356-R360 PolarHBondContact O-N 2.94Å; E356-R360 VanDerWaalsContact O-N 3.11Å; E356-R360 PolarHBondContact O-NH1 3.08Å
357E86.9Confident82Confident52 Ų5260.5 Ų60.524%0.24332%0.317CS..Hα-helixtrans-62.1-49.3172.3-90.2-173.1146.700112.4F353 V354 E359 R360 D361 Y397F353-E357 HydrophobicContact CD1-CG 4.27Å; F353-E357 HydrophobicContact CE1-CG 3.52Å; F353-E357 WeakPolarHBondContact CE1-OE2 3.5Å; F353-E357 HydrophobicContact CZ-CG 4Å; F353-E357 PolarHBondContact O-N 3.08Å; V354-E357 WeakPolarHBondContact O-CB 3.19Å; V354-E357 PolarHBondContact O-N 3.05Å; E357-E359 VanDerWaalsContact C-N 3.29Å; E357-E359 PolarHBondContact O-N 3.26Å; E357-R360 PolarHBondContact O-N 3.34Å; E357-R360 IonicContact OE1-NH2 3.16Å; E357-D361 PolarHBondContact O-N 2.71Å; E357-Y397 HydrophobicContact CB-CD1 3.89Å; E357-Y397 HydrophobicContact CB-CE1 4.22Å
358I91.3Very high81.6Confident1 Ų166.9 Ų66.91%0.00535%0.346CS..Hα-helixtrans-53.8-51.8175.5-69.8166.2000108.9V354 N355 R360 D361 L362 L385 A389 Y397V354-I358 HydrophobicContact CG1-CD1 4.17Å; V354-I358 WeakPolarHBondContact O-CG1 3.22Å; V354-I358 PolarHBondContact O-N 3.27Å; N355-I358 PolarHBondContact O-N 2.52Å; I358-R360 VanDerWaalsContact C-N 3.3Å; I358-R360 PolarHBondContact O-N 3.27Å; I358-D361 PolarHBondContact O-N 3.17Å; I358-L362 HydrophobicContact CG2-CD1 4.39Å; I358-L362 HydrophobicContact CG2-CD2 4.03Å; I358-L362 HydrophobicContact CG2-CG 4.1Å; I358-L362 WeakPolarHBondContact O-CG 3.19Å; I358-L362 PolarHBondContact O-N 3.42Å; I358-L385 HydrophobicContact CD1-CB 4.01Å; I358-L385 HydrophobicContact CG1-CB 4.22Å; I358-L385 HydrophobicContact CG2-CB 4.07Å; I358-L385 HydrophobicContact CG2-CD1 4.04Å; I358-A389 HydrophobicContact CD1-CB 4.43Å; I358-Y397 HydrophobicContact CD1-CD2 4.21Å; I358-Y397 HydrophobicContact CD1-CG 4.32Å; I358-Y397 HydrophobicContact CG1-CD1 4.1Å; I358-Y397 HydrophobicContact CG1-CD2 3.49Å; I358-Y397 VanDerWaalsContact CG1-CD2 3.49Å; I358-Y397 HydrophobicContact CG1-CE1 4.49Å; I358-Y397 HydrophobicContact CG1-CE2 3.98Å; I358-Y397 HydrophobicContact CG1-CG 3.59Å
359E91.4Very high81.7Confident75 Ų7560.1 Ų60.135%0.3532%0.315SS..Hα-helixtrans-58.6-38.1-176.9-162.962.8-158.100113.1N355 E356 E357 D361 L362 R382N355-E359 WeakPolarHBondContact O-CB 3.34Å; N355-E359 PolarHBondContact O-N 2.71Å; E356-E359 PolarHBondContact O-N 2.99Å; E357-E359 VanDerWaalsContact C-N 3.29Å; E357-E359 PolarHBondContact O-N 3.26Å; E359-D361 VanDerWaalsContact C-N 3.26Å; E359-D361 PolarHBondContact O-N 3.43Å; E359-L362 VanDerWaalsContact OE2-CD1 3.3Å; E359-L362 WeakPolarHBondContact OE2-CD1 3.35Å; E359-R382 VanDerWaalsContact CD-NH2 3.27Å; E359-R382 IonicContact OE1-CZ 3.6Å; E359-R382 IonicContact OE1-NE 2.62Å; E359-R382 IonicContact OE1-NH2 3.48Å; E359-R382 PolarHBondContact OE1-NH2 3.49Å; E359-R382 IonicContact OE2-CZ 3.8Å; E359-R382 VanDerWaalsContact OE2-CZ 3.29Å; E359-R382 IonicContact OE2-NE 3.49Å; E359-R382 PolarHBondContact OE2-NE 2.85Å; E359-R382 IonicContact OE2-NH2 2.76Å; E359-R382 PolarHBondContact OE2-NH2 2.86Å
360R89Confident82.1Confident110 Ų11058 Ų5842%0.41529%0.286SS..Hα-helixtrans-65.9-26.5176.2-74.2-170.2-57.7-95.315.8113.7E356 E357 I358 R364E356-R360 WeakPolarHBondContact O-CG 3.46Å; E356-R360 PolarHBondContact O-N 2.94Å; E356-R360 VanDerWaalsContact O-N 3.11Å; E356-R360 PolarHBondContact O-NH1 3.08Å; E357-R360 PolarHBondContact O-N 3.34Å; E357-R360 IonicContact OE1-NH2 3.16Å; I358-R360 VanDerWaalsContact C-N 3.3Å; I358-R360 PolarHBondContact O-N 3.27Å; R360-R364 PolarHBondContact O-NE 2.92Å; R360-R364 VanDerWaalsContact O-NE 3.17Å; R360-R364 PolarHBondContact O-NH2 3.34Å
361D89.5Confident82.8Confident16 Ų1655.1 Ų55.19%0.08627%0.266CS..Hα-helixtrans-99.5-22.7-174.4-81.5-5.4000113.4E357 I358 E359 H363 R364 S365 Y397E357-D361 PolarHBondContact O-N 2.71Å; I358-D361 PolarHBondContact O-N 3.17Å; E359-D361 VanDerWaalsContact C-N 3.26Å; E359-D361 PolarHBondContact O-N 3.43Å; D361-H363 VanDerWaalsContact C-N 3.26Å; D361-H363 PolarHBondContact O-N 3.19Å; D361-R364 PolarHBondContact O-N 2.98Å; D361-S365 PolarHBondContact O-N 3.19Å; D361-S365 PolarHBondContact O-OG 3.46Å; D361-Y397 WeakPolarHBondContact CB-OH 3.22Å; D361-Y397 WeakPolarHBondContact OD2-CE1 3.41Å; D361-Y397 PolarHBondContact OD2-OH 3.28Å
362L91.3Very high83.7Confident1 Ų149.7 Ų49.71%0.00524%0.236CC..Hα-helixtrans-50.3-45.9179.5-72.5177.9000112.2I358 E359 R364 S365 I378 L381 R382 L385I358-L362 HydrophobicContact CG2-CD1 4.39Å; I358-L362 HydrophobicContact CG2-CD2 4.03Å; I358-L362 HydrophobicContact CG2-CG 4.1Å; I358-L362 WeakPolarHBondContact O-CG 3.19Å; I358-L362 PolarHBondContact O-N 3.42Å; E359-L362 VanDerWaalsContact OE2-CD1 3.3Å; E359-L362 WeakPolarHBondContact OE2-CD1 3.35Å; L362-R364 VanDerWaalsContact C-N 3.28Å; L362-R364 PolarHBondContact O-N 2.88Å; L362-S365 WeakPolarHBondContact O-CB 3.24Å; L362-S365 PolarHBondContact O-N 3.09Å; L362-S365 PolarHBondContact O-OG 3.04Å; L362-I378 HydrophobicContact CB-CG2 4.2Å; L362-I378 HydrophobicContact CD1-CG2 4Å; L362-L381 HydrophobicContact CD2-CB 3.97Å; L362-L381 HydrophobicContact CD2-CD2 3.73Å; L362-L381 HydrophobicContact CD2-CG 3.58Å; L362-R382 HydrophobicContact CD1-CB 3.76Å; L362-R382 HydrophobicContact CD1-CG 4.07Å; L362-R382 VanDerWaalsContact CD1-CZ 3.49Å; L362-R382 VanDerWaalsContact CD1-NH2 3.29Å; L362-R382 HydrophobicContact CD2-CB 4.26Å; L362-L385 HydrophobicContact CD2-CD1 4.15Å
363H83.5Confident84.2Confident128 Ų12852.6 Ų52.659%0.59325%0.247SC*.THydrogen-bonded Turntrans-75.6-13.2-178-62.4-60.4000114.7D361D361-H363 VanDerWaalsContact C-N 3.26Å; D361-H363 PolarHBondContact O-N 3.19Å
364R83.7Confident84.7Confident107 Ų10752.6 Ų52.640%0.40425%0.25SC..THydrogen-bonded Turntrans-97.3-1.6174.9-56.9-175.2-122.1-166.94.4112.2R360 D361 L362 F366R360-R364 PolarHBondContact O-NE 2.92Å; R360-R364 VanDerWaalsContact O-NE 3.17Å; R360-R364 PolarHBondContact O-NH2 3.34Å; D361-R364 PolarHBondContact O-N 2.98Å; L362-R364 VanDerWaalsContact C-N 3.28Å; L362-R364 PolarHBondContact O-N 2.88Å; R364-F366 PolarHBondContact O-N 3.16Å
365S81.6Confident85.2Confident1 Ų157.4 Ų57.41%0.00728%0.281CS..SBendtrans-84.798.2-174.5-550000110.8D361 L362 N402D361-S365 PolarHBondContact O-N 3.19Å; D361-S365 PolarHBondContact O-OG 3.46Å; L362-S365 WeakPolarHBondContact O-CB 3.24Å; L362-S365 PolarHBondContact O-N 3.09Å; L362-S365 PolarHBondContact O-OG 3.04Å; S365-N402 WeakPolarHBondContact OG-CB 3.25Å; S365-N402 PolarHBondContact OG-ND2 3.04Å
366F78.5Confident85.4Confident41 Ų4160.3 Ų60.318%0.1829%0.294CS..SBendtrans53.356.3178.3-153.6-126.9000113.8R364 E368 H369 Y372 L410 F523R364-F366 PolarHBondContact O-N 3.16Å; F366-E368 PolarHBondContact O-N 2.83Å; F366-H369 HydrophobicContact CD1-CB 3.31Å; F366-H369 HydrophobicContact CE1-CB 3.45Å; F366-H369 VanDerWaalsContact CE1-CB 3.45Å; F366-H369 AromaticContact CE1-CD2 3.86Å; F366-H369 AromaticContact CE1-CG 3.92Å; F366-H369 HydrophobicContact CG-CB 4.36Å; F366-H369 PolarHBondContact O-N 3.1Å; F366-H369 VanDerWaalsContact O-N 3.13Å; F366-Y372 HydrophobicContact CB-CD2 4.19Å; F366-Y372 HydrophobicContact CB-CE2 4.4Å; F366-Y372 HydrophobicContact CD1-CD2 4.49Å; F366-Y372 HydrophobicContact CD1-CE2 4.45Å; F366-L410 HydrophobicContact CD1-CD1 4.49Å; F366-L410 HydrophobicContact CE1-CD1 4.24Å; F366-F523 AromaticContact CE1-CD2 3.78Å; F366-F523 HydrophobicContact CE1-CD2 3.78Å; F366-F523 AromaticContact CE1-CE2 3.93Å; F366-F523 HydrophobicContact CE1-CE2 3.93Å; F366-F523 HydrophobicContact CE1-CG 4.32Å; F366-F523 HydrophobicContact CE2-CB 4.32Å; F366-F523 AromaticContact CE2-CD2 3.98Å; F366-F523 HydrophobicContact CE2-CD2 3.98Å; F366-F523 HydrophobicContact CE2-CG 4.43Å; F366-F523 HydrophobicContact CZ-CB 3.84Å; F366-F523 HydrophobicContact CZ-CD1 4.49Å; F366-F523 AromaticContact CZ-CD2 3.27Å; F366-F523 HydrophobicContact CZ-CD2 3.27Å; F366-F523 AromaticContact CZ-CE2 3.92Å; F366-F523 HydrophobicContact CZ-CE2 3.92Å; F366-F523 AromaticContact CZ-CG 3.61Å; F366-F523 HydrophobicContact CZ-CG 3.61Å
367P71.2Confident85.7Confident76 Ų7656 Ų5649%0.49427%0.274SS..THydrogen-bonded Turntrans-69-7-168.430.9-37.5000113.9H373P367-H373 PolarHBondContact O-NE2 3.48Å
368E76.1Confident86Confident149 Ų14954.2 Ų54.270%0.69627%0.266SS*.THydrogen-bonded Turntrans-84.4-18176.5-58-157.9174.200112.9F272 F366F272-E368 HydrophobicContact CZ-CB 4.09Å; F366-E368 PolarHBondContact O-N 2.83Å
369H82Confident86.1Confident3 Ų357.7 Ų57.71%0.01428%0.282CS..SBendtrans-87.2129.1-175.2-166.1-81.2000112.4F272 F366 A371 Y372 L410F272-H369 AromaticContact CD2-CD2 3.62Å; F272-H369 HydrophobicContact CE2-CB 4.39Å; F272-H369 AromaticContact CE2-CD2 3.92Å; F366-H369 HydrophobicContact CD1-CB 3.31Å; F366-H369 HydrophobicContact CE1-CB 3.45Å; F366-H369 VanDerWaalsContact CE1-CB 3.45Å; F366-H369 AromaticContact CE1-CD2 3.86Å; F366-H369 AromaticContact CE1-CG 3.92Å; F366-H369 HydrophobicContact CG-CB 4.36Å; F366-H369 PolarHBondContact O-N 3.1Å; F366-H369 VanDerWaalsContact O-N 3.13Å; H369-A371 VanDerWaalsContact ND1-CB 3.3Å; H369-A371 WeakPolarHBondContact ND1-CB 3.44Å; H369-A371 PolarHBondContact ND1-N 3.03Å; H369-A371 PolarHBondContact O-N 3.44Å; H369-Y372 HydrophobicContact CB-CD2 4.29Å; H369-Y372 PolarHBondContact O-N 3.28Å; H369-L410 WeakPolarHBondContact CE1-CD2 3.49Å
370P83Confident86.3Confident41 Ų4154.2 Ų54.227%0.26627%0.266SS..G310 helixtrans-54.8-31.1-175-28.234.2000115Y266 Y372 H373Y266-P370 HydrophobicContact CD1-CB 4.49Å; P370-Y372 PolarHBondContact O-N 3.05Å; P370-H373 WeakPolarHBondContact O-CB 3.32Å; P370-H373 PolarHBondContact O-N 2.93Å; P370-H373 VanDerWaalsContact O-N 3.11Å
371A84.1Confident86.6Confident0 Ų049 Ų490%025%0.246CC..G310 helixtrans-54.6-39.7178.200000112.7F262 Y266 H369 H373 T374 G377 L410F262-A371 HydrophobicContact CB-CB 3.96Å; F262-A371 HydrophobicContact CD2-CB 4.29Å; F262-A371 HydrophobicContact CG-CB 4.08Å; Y266-A371 HydrophobicContact CD2-CB 3.65Å; Y266-A371 HydrophobicContact CE2-CB 3.62Å; Y266-A371 HydrophobicContact CG-CB 4.46Å; H369-A371 VanDerWaalsContact ND1-CB 3.3Å; H369-A371 WeakPolarHBondContact ND1-CB 3.44Å; H369-A371 PolarHBondContact ND1-N 3.03Å; H369-A371 PolarHBondContact O-N 3.44Å; A371-H373 VanDerWaalsContact C-N 3.31Å; A371-H373 PolarHBondContact O-N 3.21Å; A371-T374 PolarHBondContact O-N 3.19Å; A371-T374 PolarHBondContact O-OG1 2.95Å; A371-G377 WeakPolarHBondContact O-CA 3.31Å; A371-L410 HydrophobicContact CB-CD2 4.07Å
372Y88.8Confident86.8Confident12 Ų1250.6 Ų50.65%0.04725%0.251CS..G310 helixtrans-88.12.8-176.7-60.3-60.8000113.8F366 H369 P370 T374 I378 L381 S406 L409 L410F366-Y372 HydrophobicContact CB-CD2 4.19Å; F366-Y372 HydrophobicContact CB-CE2 4.4Å; F366-Y372 HydrophobicContact CD1-CD2 4.49Å; F366-Y372 HydrophobicContact CD1-CE2 4.45Å; H369-Y372 HydrophobicContact CB-CD2 4.29Å; H369-Y372 PolarHBondContact O-N 3.28Å; P370-Y372 PolarHBondContact O-N 3.05Å; Y372-T374 VanDerWaalsContact C-N 3.31Å; Y372-I378 HydrophobicContact CD1-CD1 4.29Å; Y372-I378 WeakPolarHBondContact O-CD1 3.35Å; Y372-L381 HydrophobicContact CD1-CD2 4.5Å; Y372-L381 HydrophobicContact CE1-CB 4.3Å; Y372-L381 HydrophobicContact CE1-CD2 4.33Å; Y372-S406 VanDerWaalsContact OH-C 3.24Å; Y372-S406 VanDerWaalsContact OH-CA 3.22Å; Y372-S406 WeakPolarHBondContact OH-CA 3.31Å; Y372-S406 PolarHBondContact OH-O 3.35Å; Y372-L409 WeakPolarHBondContact OH-CB 3.38Å; Y372-L410 HydrophobicContact CE2-CD2 4.12Å
373H87.4Confident87Confident128 Ų12854.1 Ų54.159%0.59326%0.264SS*.G310 helixtrans-86.1-8.2165.5-57.7157.5000112.4P367 P370 A371P367-H373 PolarHBondContact O-NE2 3.48Å; P370-H373 WeakPolarHBondContact O-CB 3.32Å; P370-H373 PolarHBondContact O-N 2.93Å; P370-H373 VanDerWaalsContact O-N 3.11Å; A371-H373 VanDerWaalsContact C-N 3.31Å; A371-H373 PolarHBondContact O-N 3.21Å
374T87.9Confident87.7Confident34 Ų3448 Ų4821%0.20924%0.236CC..SBendtrans-98.9146.8179.172.60000111.3Y266 A371 Y372 E376 G377 I378Y266-T374 HydrophobicContact CE1-CG2 3.93Å; Y266-T374 VanDerWaalsContact OH-CG2 3.23Å; Y266-T374 WeakPolarHBondContact OH-CG2 3.42Å; Y266-T374 PolarHBondContact OH-OG1 3.26Å; A371-T374 PolarHBondContact O-N 3.19Å; A371-T374 PolarHBondContact O-OG1 2.95Å; Y372-T374 VanDerWaalsContact C-N 3.31Å; T374-E376 PolarHBondContact O-N 3.21Å; T374-G377 PolarHBondContact O-N 2.88Å; T374-G377 PolarHBondContact OG1-N 3.12Å; T374-G377 VanDerWaalsContact OG1-N 3.11Å; T374-I378 PolarHBondContact O-N 3.46Å
375P90.8Very high88.2Confident114 Ų11442.9 Ų42.974%0.7422%0.217SC*.Hα-helixtrans-61.7-29.7174.625-33.7000112Q379P375-Q379 WeakPolarHBondContact O-CB 3.21Å; P375-Q379 PolarHBondContact O-N 3.41Å
376E90.6Very high88.8Confident86 Ų8643.7 Ų43.740%0.40222%0.222SC..Hα-helixtrans-63.4-51.7175.9-170.9-179.8-173.300111.3F262 R265 T374 I378 Q379 S380F262-E376 HydrophobicContact CE1-CG 4.14Å; F262-E376 HydrophobicContact CZ-CG 4.45Å; R265-E376 IonicContact CZ-OE1 2.71Å; R265-E376 VanDerWaalsContact NH1-CD 3.29Å; R265-E376 IonicContact NH1-OE1 3.86Å; R265-E376 PolarHBondContact NH1-OE1 3.34Å; R265-E376 IonicContact NH1-OE2 2.83Å; R265-E376 PolarHBondContact NH1-OE2 3.17Å; R265-E376 IonicContact NH2-OE1 3.68Å; T374-E376 PolarHBondContact O-N 3.21Å; E376-I378 VanDerWaalsContact C-N 3.35Å; E376-I378 PolarHBondContact O-N 3.4Å; E376-Q379 PolarHBondContact O-N 3.15Å; E376-Q379 VanDerWaalsContact O-N 3.13Å; E376-S380 PolarHBondContact O-N 2.81Å; E376-S380 PolarHBondContact O-OG 3.26Å; E376-S380 VanDerWaalsContact O-OG 3.12Å
377G90.7Very high89.5Confident0 Ų041.7 Ų41.70%021%0.213CC..Hα-helixtrans-56.8-46.1178.500000113.5F262 A371 T374 S380 L381F262-G377 VanDerWaalsContact CZ-CA 3.44Å; A371-G377 WeakPolarHBondContact O-CA 3.31Å; T374-G377 PolarHBondContact O-N 2.88Å; T374-G377 PolarHBondContact OG1-N 3.12Å; T374-G377 VanDerWaalsContact OG1-N 3.11Å; G377-S380 PolarHBondContact O-N 3.38Å; G377-L381 PolarHBondContact O-N 3.17Å; G377-L381 VanDerWaalsContact O-N 3.08Å
378I93.6Very high90.6Very high15 Ų1538.1 Ų38.18%0.07719%0.189CC..Hα-helixtrans-64.8-40.5176.9-64.2-59.1000111.5L362 Y372 T374 E376 L381 R382L362-I378 HydrophobicContact CB-CG2 4.2Å; L362-I378 HydrophobicContact CD1-CG2 4Å; Y372-I378 HydrophobicContact CD1-CD1 4.29Å; Y372-I378 WeakPolarHBondContact O-CD1 3.35Å; T374-I378 PolarHBondContact O-N 3.46Å; E376-I378 VanDerWaalsContact C-N 3.35Å; E376-I378 PolarHBondContact O-N 3.4Å; I378-L381 PolarHBondContact O-N 3.43Å; I378-R382 WeakPolarHBondContact O-CB 3.27Å; I378-R382 PolarHBondContact O-N 3.12Å
379Q93.9Very high91.2Very high74 Ų7431.5 Ų31.535%0.34616%0.16SC..Hα-helixtrans-69.5-37.5-179.9-173.565.745.400112.5P375 E376 R382 R383P375-Q379 WeakPolarHBondContact O-CB 3.21Å; P375-Q379 PolarHBondContact O-N 3.41Å; E376-Q379 PolarHBondContact O-N 3.15Å; E376-Q379 VanDerWaalsContact O-N 3.13Å; Q379-R382 PolarHBondContact O-N 3.19Å; Q379-R383 PolarHBondContact O-N 2.85Å
380S94.6Very high91.5Very high2 Ų237.1 Ų37.11%0.01418%0.182CC..Hα-helixtrans-62.3-46173.1-62.70000111.4F262 E376 G377 R382 R383 V384 E414F262-S380 WeakPolarHBondContact CZ-OG 3.49Å; E376-S380 PolarHBondContact O-N 2.81Å; E376-S380 PolarHBondContact O-OG 3.26Å; E376-S380 VanDerWaalsContact O-OG 3.12Å; G377-S380 PolarHBondContact O-N 3.38Å; S380-R382 PolarHBondContact O-N 3.27Å; S380-R383 PolarHBondContact O-N 3.19Å; S380-V384 WeakPolarHBondContact O-CG2 3.42Å; S380-V384 PolarHBondContact O-N 3.17Å; S380-E414 WeakPolarHBondContact CA-OE1 3.31Å; S380-E414 WeakPolarHBondContact CB-OE1 2.91Å; S380-E414 PolarHBondContact OG-OE1 3.28Å
381L95.5Very high91.7Very high0 Ų037.6 Ų37.60%018%0.179CC..Hα-helixtrans-60.8-44.1176.3-176.760.9000111.7L362 Y372 G377 I378 R383 V384 L385 A405 L409L362-L381 HydrophobicContact CD2-CB 3.97Å; L362-L381 HydrophobicContact CD2-CD2 3.73Å; L362-L381 HydrophobicContact CD2-CG 3.58Å; Y372-L381 HydrophobicContact CD1-CD2 4.5Å; Y372-L381 HydrophobicContact CE1-CB 4.3Å; Y372-L381 HydrophobicContact CE1-CD2 4.33Å; G377-L381 PolarHBondContact O-N 3.17Å; G377-L381 VanDerWaalsContact O-N 3.08Å; I378-L381 PolarHBondContact O-N 3.43Å; L381-R383 PolarHBondContact O-N 3.01Å; L381-V384 PolarHBondContact O-N 3.38Å; L381-L385 HydrophobicContact CD1-CD1 3.85Å; L381-L385 HydrophobicContact CD1-CG 4.12Å; L381-L385 HydrophobicContact CG-CD1 3.88Å; L381-L385 WeakPolarHBondContact O-CB 3.48Å; L381-L385 WeakPolarHBondContact O-CG 3.36Å; L381-L385 PolarHBondContact O-N 3.42Å; L381-L385 VanDerWaalsContact O-N 3.08Å; L381-A405 HydrophobicContact CD1-CB 3.72Å; L381-L409 HydrophobicContact CB-CD1 3.99Å; L381-L409 HydrophobicContact CD1-CD1 4.02Å
382R95.1Very high91.6Very high50 Ų5039.1 Ų39.119%0.18919%0.187CC..Hα-helixtrans-55.6-52.4174.1-173.9-177.3-67.4100.54.5111.4E359 L362 I378 Q379 S380 V384 L385 T386E359-R382 VanDerWaalsContact CD-NH2 3.27Å; E359-R382 IonicContact OE1-CZ 3.6Å; E359-R382 IonicContact OE1-NE 2.62Å; E359-R382 IonicContact OE1-NH2 3.48Å; E359-R382 PolarHBondContact OE1-NH2 3.49Å; E359-R382 IonicContact OE2-CZ 3.8Å; E359-R382 VanDerWaalsContact OE2-CZ 3.29Å; E359-R382 IonicContact OE2-NE 3.49Å; E359-R382 PolarHBondContact OE2-NE 2.85Å; E359-R382 IonicContact OE2-NH2 2.76Å; E359-R382 PolarHBondContact OE2-NH2 2.86Å; L362-R382 HydrophobicContact CD1-CB 3.76Å; L362-R382 HydrophobicContact CD1-CG 4.07Å; L362-R382 VanDerWaalsContact CD1-CZ 3.49Å; L362-R382 VanDerWaalsContact CD1-NH2 3.29Å; L362-R382 HydrophobicContact CD2-CB 4.26Å; I378-R382 WeakPolarHBondContact O-CB 3.27Å; I378-R382 PolarHBondContact O-N 3.12Å; Q379-R382 PolarHBondContact O-N 3.19Å; S380-R382 PolarHBondContact O-N 3.27Å; R382-V384 PolarHBondContact O-N 2.96Å; R382-L385 PolarHBondContact O-N 2.93Å; R382-T386 VanDerWaalsContact O-CB 3.31Å; R382-T386 WeakPolarHBondContact O-CB 3.4Å; R382-T386 PolarHBondContact O-N 2.9Å; R382-T386 PolarHBondContact O-OG1 2.75Å; R382-T386 VanDerWaalsContact O-OG1 3.04Å
383R95.3Very high91Very high75 Ų7541.5 Ų41.528%0.28320%0.204SC..Hα-helixtrans-59.7-46.4-178.2-80-166-66.7-95.6-6.8112.4I344 Q379 S380 L381 A387 E414I344-R383 HydrophobicContact CD1-CB 3.68Å; I344-R383 HydrophobicContact CD1-CG 3.98Å; I344-R383 WeakPolarHBondContact CD1-O 3.45Å; Q379-R383 PolarHBondContact O-N 2.85Å; S380-R383 PolarHBondContact O-N 3.19Å; L381-R383 PolarHBondContact O-N 3.01Å; R383-A387 WeakPolarHBondContact O-CB 3.13Å; R383-A387 PolarHBondContact O-N 3.38Å; R383-E414 IonicContact CZ-OE1 2.87Å; R383-E414 IonicContact CZ-OE2 3.27Å; R383-E414 IonicContact NE-OE1 2.93Å; R383-E414 IonicContact NE-OE2 2.73Å; R383-E414 PolarHBondContact NE-OE2 3.3Å; R383-E414 IonicContact NH2-OE1 3.73Å; R383-E414 PolarHBondContact NH2-OE1 2.97Å; R383-E414 IonicContact NH2-OE2 3.02Å; R383-E414 PolarHBondContact NH2-OE2 3.24Å
384V96.7Very high90.3Very high0 Ų038.7 Ų38.70%019%0.193CC..Hα-helixtrans-62.3-47.7179.5172.20000111.7S380 L381 R382 A387 Y388 A405 L409 E414 F418 L421S380-V384 WeakPolarHBondContact O-CG2 3.42Å; S380-V384 PolarHBondContact O-N 3.17Å; L381-V384 PolarHBondContact O-N 3.38Å; R382-V384 PolarHBondContact O-N 2.96Å; V384-A387 PolarHBondContact O-N 2.59Å; V384-Y388 PolarHBondContact O-N 2.8Å; V384-A405 HydrophobicContact CG1-CB 4.47Å; V384-L409 HydrophobicContact CG2-CD1 4.38Å; V384-L409 HydrophobicContact CG2-CD2 4.1Å; V384-E414 HydrophobicContact CG2-CB 4.16Å; V384-E414 HydrophobicContact CG2-CG 4.33Å; V384-F418 HydrophobicContact CG1-CB 4.33Å; V384-L421 HydrophobicContact CG1-CD2 4.21Å
385L95.5Very high90Very high0 Ų038.1 Ų38.10%019%0.19CC..Hα-helixtrans-66.2-44.8-179.4-67.7172.1000112I358 L362 L381 R382 Y388 A389 Y397 M401 N402 A405 L421I358-L385 HydrophobicContact CD1-CB 4.01Å; I358-L385 HydrophobicContact CG1-CB 4.22Å; I358-L385 HydrophobicContact CG2-CB 4.07Å; I358-L385 HydrophobicContact CG2-CD1 4.04Å; L362-L385 HydrophobicContact CD2-CD1 4.15Å; L381-L385 HydrophobicContact CD1-CD1 3.85Å; L381-L385 HydrophobicContact CD1-CG 4.12Å; L381-L385 HydrophobicContact CG-CD1 3.88Å; L381-L385 WeakPolarHBondContact O-CB 3.48Å; L381-L385 WeakPolarHBondContact O-CG 3.36Å; L381-L385 PolarHBondContact O-N 3.42Å; L381-L385 VanDerWaalsContact O-N 3.08Å; R382-L385 PolarHBondContact O-N 2.93Å; L385-Y388 PolarHBondContact O-N 2.85Å; L385-A389 WeakPolarHBondContact O-CB 3.34Å; L385-A389 PolarHBondContact O-N 2.85Å; L385-Y397 HydrophobicContact CD1-CE2 3.99Å; L385-Y397 HydrophobicContact CD2-CD2 4.27Å; L385-Y397 HydrophobicContact CD2-CE2 4.06Å; L385-Y397 HydrophobicContact CG-CE2 4.48Å; L385-M401 HydrophobicContact CD2-CB 4.39Å; L385-M401 HydrophobicContact CD2-CE 3.89Å; L385-M401 HydrophobicContact CD2-CG 4.04Å; L385-N402 HydrophobicContact CD1-CB 3.91Å; L385-A405 HydrophobicContact CD2-CB 3.73Å; L385-A405 HydrophobicContact CG-CB 4.3Å; L385-L421 HydrophobicContact CD2-CD2 4.37Å
386T93.9Very high89.6Confident17 Ų1732.7 Ų32.710%0.10416%0.155CC..Hα-helixtrans-65.4-40.1177.9-61.60000111.5V347 N355 R382 Y388 A389 Y390V347-T386 HydrophobicContact CB-CG2 3.86Å; V347-T386 HydrophobicContact CG1-CG2 3.77Å; V347-T386 HydrophobicContact CG2-CG2 4.03Å; N355-T386 WeakPolarHBondContact OD1-CG2 3.32Å; R382-T386 VanDerWaalsContact O-CB 3.31Å; R382-T386 WeakPolarHBondContact O-CB 3.4Å; R382-T386 PolarHBondContact O-N 2.9Å; R382-T386 PolarHBondContact O-OG1 2.75Å; R382-T386 VanDerWaalsContact O-OG1 3.04Å; T386-Y388 PolarHBondContact O-N 3.43Å; T386-A389 PolarHBondContact O-N 3.45Å; T386-Y390 WeakPolarHBondContact O-CB 3.34Å; T386-Y390 PolarHBondContact O-N 3.03Å
387A94.1Very high89.5Confident0 Ų029.4 Ų29.40%014%0.139CC..Hα-helixtrans-61.5-43.2175.400000112Y340 L343 I344 R383 V384 Y390 R391 F418Y340-A387 HydrophobicContact CD2-CB 4.1Å; Y340-A387 HydrophobicContact CE2-CB 3.61Å; L343-A387 HydrophobicContact CB-CB 4.39Å; L343-A387 HydrophobicContact CD1-CB 4.46Å; I344-A387 HydrophobicContact CD1-CB 3.83Å; R383-A387 WeakPolarHBondContact O-CB 3.13Å; R383-A387 PolarHBondContact O-N 3.38Å; V384-A387 PolarHBondContact O-N 2.59Å; A387-Y390 PolarHBondContact O-N 2.91Å; A387-R391 WeakPolarHBondContact O-CB 3.31Å; A387-R391 PolarHBondContact O-N 2.83Å; A387-F418 HydrophobicContact CB-CD2 3.93Å; A387-F418 HydrophobicContact CB-CE2 3.97Å
388Y93.3Very high89.2Confident0 Ų030.2 Ų30.20%014%0.144CC..Hα-helixtrans-66.4-45.8177.4-179-92.2000111.9V384 L385 T386 Y390 R391 N392 V395 M401 L421 C425 E426V384-Y388 PolarHBondContact O-N 2.8Å; L385-Y388 PolarHBondContact O-N 2.85Å; T386-Y388 PolarHBondContact O-N 3.43Å; Y388-Y390 PolarHBondContact O-N 3.39Å; Y388-R391 WeakPolarHBondContact O-CB 3.48Å; Y388-R391 PolarHBondContact O-N 2.86Å; Y388-R391 VanDerWaalsContact O-N 3.11Å; Y388-N392 PolarHBondContact O-N 2.87Å; Y388-V395 HydrophobicContact CE1-CB 4.22Å; Y388-V395 HydrophobicContact CE1-CG1 3.78Å; Y388-M401 HydrophobicContact CD1-CE 3.71Å; Y388-M401 HydrophobicContact CD1-SD 3.56Å; Y388-M401 VanDerWaalsContact CD1-SD 3.56Å; Y388-M401 HydrophobicContact CE1-CE 4.32Å; Y388-M401 HydrophobicContact CE1-SD 3.75Å; Y388-M401 HydrophobicContact CG-SD 4.45Å; Y388-L421 HydrophobicContact CD2-CD2 4.47Å; Y388-L421 HydrophobicContact CD2-CG 4.39Å; Y388-L421 HydrophobicContact CG-CD2 4.04Å; Y388-L421 HydrophobicContact CG-CG 4.38Å; Y388-C425 HydrophobicContact CE1-CB 4.25Å; Y388-C425 HydrophobicContact CE2-CB 3.98Å; Y388-C425 VanDerWaalsContact CZ-CB 3.48Å; Y388-C425 WeakPolarHBondContact OH-CB 3.3Å; Y388-E426 HydrophobicContact CE2-CG 4.44Å
389A89.5Confident88.6Confident10 Ų1034.2 Ų34.28%0.08316%0.162CC..Hα-helixtrans-58.4-36.4177.200000112.6V354 I358 L385 T386 N392 G396V354-A389 HydrophobicContact CG1-CB 3.73Å; I358-A389 HydrophobicContact CD1-CB 4.43Å; L385-A389 WeakPolarHBondContact O-CB 3.34Å; L385-A389 PolarHBondContact O-N 2.85Å; T386-A389 PolarHBondContact O-N 3.45Å; A389-N392 CarbonylContact O-C 3.54Å; A389-G396 WeakPolarHBondContact CA-O 3.41Å
390Y87.5Confident88.2Confident121 Ų12131 Ų3148%0.47515%0.148SC..Hα-helixtrans-74.2-38.2175.3-171.5-108.7000113L343 V347 T386 A387 Y388 N392L343-Y390 HydrophobicContact CD2-CD1 3.68Å; L343-Y390 HydrophobicContact CD2-CE1 4.17Å; V347-Y390 HydrophobicContact CG1-CD1 4.31Å; V347-Y390 HydrophobicContact CG1-CD2 3.62Å; V347-Y390 HydrophobicContact CG1-CE2 4.33Å; V347-Y390 HydrophobicContact CG1-CG 3.61Å; T386-Y390 WeakPolarHBondContact O-CB 3.34Å; T386-Y390 PolarHBondContact O-N 3.03Å; A387-Y390 PolarHBondContact O-N 2.91Å; Y388-Y390 PolarHBondContact O-N 3.39Å; Y390-N392 VanDerWaalsContact C-N 3.32Å; Y390-N392 PolarHBondContact O-N 3.41Å
391R87.5Confident88.1Confident51 Ų5130.9 Ų30.919%0.19215%0.147CC..Hα-helixtrans-57.8-45.3175.2168.6-178.2173.592.8-4.4111.5Y339 L343 A387 Y388 F418 E426Y339-R391 VanDerWaalsContact CE1-NH1 3.25Å; Y339-R391 PolarHBondContact OH-NH1 3.05Å; L343-R391 HydrophobicContact CD1-CB 4.09Å; A387-R391 WeakPolarHBondContact O-CB 3.31Å; A387-R391 PolarHBondContact O-N 2.83Å; Y388-R391 WeakPolarHBondContact O-CB 3.48Å; Y388-R391 PolarHBondContact O-N 2.86Å; Y388-R391 VanDerWaalsContact O-N 3.11Å; R391-F418 HydrophobicContact CB-CE2 4.47Å; R391-F418 HydrophobicContact CB-CZ 4.44Å; R391-E426 IonicContact CZ-OE1 3.31Å; R391-E426 IonicContact CZ-OE2 3.29Å; R391-E426 IonicContact NE-OE1 3.88Å; R391-E426 PolarHBondContact NE-OE1 2.97Å; R391-E426 IonicContact NE-OE2 3.47Å; R391-E426 PolarHBondContact NE-OE2 2.87Å; R391-E426 IonicContact NH2-OE1 2.77Å; R391-E426 IonicContact NH2-OE2 3.16Å; R391-E426 PolarHBondContact NH2-OE2 3.42Å
392N81.4Confident88Confident33 Ų3331.2 Ų31.218%0.17615%0.149CC..  trans-129.482.3-174.8-167.3-17000111.1Y388 A389 Y390 N394 V395 G396 E426Y388-N392 PolarHBondContact O-N 2.87Å; A389-N392 CarbonylContact O-C 3.54Å; Y390-N392 VanDerWaalsContact C-N 3.32Å; Y390-N392 PolarHBondContact O-N 3.41Å; N392-N394 PolarHBondContact O-N 3.06Å; N392-N394 VanDerWaalsContact O-N 3.1Å; N392-N394 PolarHBondContact OD1-N 3.11Å; N392-V395 HydrophobicContact CB-CB 4.49Å; N392-V395 PolarHBondContact O-N 2.93Å; N392-G396 PolarHBondContact O-N 3.31Å; N392-E426 PolarHBondContact ND2-OE1 3.45Å
393P76.7Confident87.9Confident62 Ų6230.4 Ų30.440%0.40315%0.148SC..THydrogen-bonded Turntrans-61.4-21.2-177.8-24.434.6000114.2V395 N675P393-V395 VanDerWaalsContact C-N 3.32Å; P393-N675 PolarHBondContact O-ND2 3.1Å
394N72.4Confident87.8Confident68 Ų6826.9 Ų26.936%0.36414%0.135SC..THydrogen-bonded Turntrans-69.3-33.9176.3-65.8-37.6000112.3S80 N392S80-N394 WeakPolarHBondContact CB-OD1 3.35Å; N392-N394 PolarHBondContact O-N 3.06Å; N392-N394 VanDerWaalsContact O-N 3.1Å; N392-N394 PolarHBondContact OD1-N 3.11Å
395V80.6Confident87.8Confident22 Ų2226.9 Ų26.913%0.13314%0.135CC..THydrogen-bonded Turntrans-87.1-45.7175-1790000109Y388 N392 P393 Y397 Y433Y388-V395 HydrophobicContact CE1-CB 4.22Å; Y388-V395 HydrophobicContact CE1-CG1 3.78Å; N392-V395 HydrophobicContact CB-CB 4.49Å; N392-V395 PolarHBondContact O-N 2.93Å; P393-V395 VanDerWaalsContact C-N 3.32Å; V395-Y397 PolarHBondContact O-N 3.23Å; V395-Y433 WeakPolarHBondContact CG1-O 3.49Å
396G83.1Confident87.7Confident1 Ų126.9 Ų26.91%0.0114%0.135CC..  trans60.8-121.8-177.700000111.2A389 N392A389-G396 WeakPolarHBondContact CA-O 3.41Å; N392-G396 PolarHBondContact O-N 3.31Å
397Y88.4Confident87.7Confident16 Ų1626.2 Ų26.26%0.06313%0.131CC..  trans-123.7130.2174.1174.5-99.4000109.5E357 I358 D361 L385 V395 M401 N402E357-Y397 HydrophobicContact CB-CD1 3.89Å; E357-Y397 HydrophobicContact CB-CE1 4.22Å; I358-Y397 HydrophobicContact CD1-CD2 4.21Å; I358-Y397 HydrophobicContact CD1-CG 4.32Å; I358-Y397 HydrophobicContact CG1-CD1 4.1Å; I358-Y397 HydrophobicContact CG1-CD2 3.49Å; I358-Y397 VanDerWaalsContact CG1-CD2 3.49Å; I358-Y397 HydrophobicContact CG1-CE1 4.49Å; I358-Y397 HydrophobicContact CG1-CE2 3.98Å; I358-Y397 HydrophobicContact CG1-CG 3.59Å; D361-Y397 WeakPolarHBondContact CB-OH 3.22Å; D361-Y397 WeakPolarHBondContact OD2-CE1 3.41Å; D361-Y397 PolarHBondContact OD2-OH 3.28Å; L385-Y397 HydrophobicContact CD1-CE2 3.99Å; L385-Y397 HydrophobicContact CD2-CD2 4.27Å; L385-Y397 HydrophobicContact CD2-CE2 4.06Å; L385-Y397 HydrophobicContact CG-CE2 4.48Å; V395-Y397 PolarHBondContact O-N 3.23Å; Y397-M401 HydrophobicContact CD2-CB 4.46Å; Y397-M401 HydrophobicContact CD2-CE 3.5Å; Y397-M401 VanDerWaalsContact CD2-CE 3.5Å; Y397-M401 HydrophobicContact CE2-CB 4.26Å; Y397-M401 HydrophobicContact CE2-CE 4.28Å; Y397-M401 HydrophobicContact CG-CE 4.26Å; Y397-N402 HydrophobicContact CE2-CB 4.19Å; Y397-N402 VanDerWaalsContact OH-CB 3.3Å; Y397-N402 WeakPolarHBondContact OH-CB 3.36Å; Y397-N402 VanDerWaalsContact OH-CG 3.22Å; Y397-N402 PolarHBondContact OH-OD1 2.98Å
398C85.5Confident87.7Confident17 Ų1726.2 Ų26.212%0.11513%0.131CC..  trans-115.1132.6171.8178.80000109.4S400 M401 Y433C398-S400 PolarHBondContact O-N 3.47Å; C398-M401 WeakPolarHBondContact O-CB 3.47Å; C398-M401 PolarHBondContact O-N 3.42Å; C398-Y433 HydrophobicContact CB-CD1 4.1Å; C398-Y433 HydrophobicContact CB-CG 4.46Å; C398-Y433 WeakPolarHBondContact CB-O 3.22Å
399Q79.8Confident87.8Confident99 Ų9926.3 Ų26.346%0.46313%0.131SC..THydrogen-bonded Turntrans-57.1122.2175.1-173.2-176.78.300109.5
400S86.7Confident87.9Confident6 Ų625.9 Ų25.94%0.04213%0.128CC..THydrogen-bonded Turntrans116.4-28.6-16962.40000112.8C398 N402 I403 V404 Y433 L514C398-S400 PolarHBondContact O-N 3.47Å; S400-N402 WeakPolarHBondContact CA-OD1 3.3Å; S400-N402 PolarHBondContact N-OD1 3.18Å; S400-N402 PolarHBondContact O-N 2.86Å; S400-I403 WeakPolarHBondContact O-CB 3.4Å; S400-I403 PolarHBondContact O-N 3.48Å; S400-V404 PolarHBondContact O-N 3.28Å; S400-Y433 WeakPolarHBondContact OG-CE1 3.25Å; S400-L514 WeakPolarHBondContact OG-CD2 3.35Å; S400-L514 WeakPolarHBondContact OG-CG 3.29Å
401M91.7Very high88.1Confident0 Ų021 Ų210%011%0.109CC..Hα-helixtrans-63.6-33.4-179.2-165.81696600111.3L385 Y388 Y397 C398 I403 V404 A405 L421 Y433L385-M401 HydrophobicContact CD2-CB 4.39Å; L385-M401 HydrophobicContact CD2-CE 3.89Å; L385-M401 HydrophobicContact CD2-CG 4.04Å; Y388-M401 HydrophobicContact CD1-CE 3.71Å; Y388-M401 HydrophobicContact CD1-SD 3.56Å; Y388-M401 VanDerWaalsContact CD1-SD 3.56Å; Y388-M401 HydrophobicContact CE1-CE 4.32Å; Y388-M401 HydrophobicContact CE1-SD 3.75Å; Y388-M401 HydrophobicContact CG-SD 4.45Å; Y397-M401 HydrophobicContact CD2-CB 4.46Å; Y397-M401 HydrophobicContact CD2-CE 3.5Å; Y397-M401 VanDerWaalsContact CD2-CE 3.5Å; Y397-M401 HydrophobicContact CE2-CB 4.26Å; Y397-M401 HydrophobicContact CE2-CE 4.28Å; Y397-M401 HydrophobicContact CG-CE 4.26Å; C398-M401 WeakPolarHBondContact O-CB 3.47Å; C398-M401 PolarHBondContact O-N 3.42Å; M401-I403 VanDerWaalsContact C-N 3.3Å; M401-I403 PolarHBondContact O-N 2.92Å; M401-V404 PolarHBondContact O-N 3.45Å; M401-A405 WeakPolarHBondContact O-CB 3.38Å; M401-A405 PolarHBondContact O-N 2.71Å; M401-L421 HydrophobicContact CG-CD1 3.74Å; M401-L421 HydrophobicContact CG-CD2 4.09Å; M401-L421 HydrophobicContact CG-CG 4.39Å; M401-L421 HydrophobicContact SD-CD1 4.27Å; M401-L421 HydrophobicContact SD-CD2 4.11Å; M401-L421 HydrophobicContact SD-CG 4.42Å; M401-Y433 HydrophobicContact CB-CD1 4.24Å; M401-Y433 HydrophobicContact CB-CE1 4.49Å
402N93.3Very high88.5Confident8 Ų818.7 Ų18.74%0.04310%0.1CC..Hα-helixtrans-58.2-37.8171.763.6-42.8000113.4S365 L385 Y397 S400 S406S365-N402 WeakPolarHBondContact OG-CB 3.25Å; S365-N402 PolarHBondContact OG-ND2 3.04Å; L385-N402 HydrophobicContact CD1-CB 3.91Å; Y397-N402 HydrophobicContact CE2-CB 4.19Å; Y397-N402 VanDerWaalsContact OH-CB 3.3Å; Y397-N402 WeakPolarHBondContact OH-CB 3.36Å; Y397-N402 VanDerWaalsContact OH-CG 3.22Å; Y397-N402 PolarHBondContact OH-OD1 2.98Å; S400-N402 WeakPolarHBondContact CA-OD1 3.3Å; S400-N402 PolarHBondContact N-OD1 3.18Å; S400-N402 PolarHBondContact O-N 2.86Å; N402-S406 WeakPolarHBondContact O-CB 3.43Å; N402-S406 PolarHBondContact O-N 3.38Å; N402-S406 PolarHBondContact O-OG 3.38Å
403I92.5Very high89.1Confident33 Ų3319.4 Ų19.417%0.16911%0.106CC..Hα-helixtrans-66.4-49.6177.7-61172.7000109.3S400 M401 S406 V407 T515 L518S400-I403 WeakPolarHBondContact O-CB 3.4Å; S400-I403 PolarHBondContact O-N 3.48Å; M401-I403 VanDerWaalsContact C-N 3.3Å; M401-I403 PolarHBondContact O-N 2.92Å; I403-S406 PolarHBondContact O-N 2.97Å; I403-S406 PolarHBondContact O-OG 3.25Å; I403-V407 PolarHBondContact O-N 3.13Å; I403-T515 HydrophobicContact CD1-CG2 4.19Å; I403-L518 HydrophobicContact CG2-CB 3.86Å; I403-L518 HydrophobicContact CG2-CD1 4.16Å
404V94.7Very high90Very high1 Ų118.5 Ų18.51%0.00610%0.096CC..Hα-helixtrans-60.2-53.1178.7-179.70000110.6S400 M401 S406 V407 L408 L421 I424 L516 L518S400-V404 PolarHBondContact O-N 3.28Å; M401-V404 PolarHBondContact O-N 3.45Å; V404-S406 VanDerWaalsContact C-N 3.27Å; V404-S406 PolarHBondContact O-N 3.18Å; V404-V407 PolarHBondContact O-N 2.92Å; V404-L408 HydrophobicContact CG1-CD1 4.23Å; V404-L408 HydrophobicContact CG1-CG 4.46Å; V404-L408 WeakPolarHBondContact O-CG 3.41Å; V404-L408 PolarHBondContact O-N 3.33Å; V404-L408 VanDerWaalsContact O-N 3.09Å; V404-L421 HydrophobicContact CG1-CD1 4.39Å; V404-I424 HydrophobicContact CG1-CD1 3.69Å; V404-L516 HydrophobicContact CG1-CD1 4.39Å; V404-L518 HydrophobicContact CB-CD1 4.47Å; V404-L518 HydrophobicContact CG2-CD1 4.14Å
405A96Very high91.1Very high0 Ų018 Ų180%09%0.092CC..Hα-helixtrans-58.3-38.6179.700000112.5L381 V384 L385 M401 V407 L408 L409 L421L381-A405 HydrophobicContact CD1-CB 3.72Å; V384-A405 HydrophobicContact CG1-CB 4.47Å; L385-A405 HydrophobicContact CD2-CB 3.73Å; L385-A405 HydrophobicContact CG-CB 4.3Å; M401-A405 WeakPolarHBondContact O-CB 3.38Å; M401-A405 PolarHBondContact O-N 2.71Å; A405-V407 VanDerWaalsContact C-N 3.32Å; A405-V407 PolarHBondContact O-N 2.69Å; A405-L408 PolarHBondContact O-N 3.46Å; A405-L409 PolarHBondContact O-N 3.01Å; A405-L409 VanDerWaalsContact O-N 3.07Å; A405-L421 HydrophobicContact CB-CD2 4.31Å
406S93.3Very high91.9Very high0 Ų019 Ų190%010%0.095CC..Hα-helixtrans-63.2-35.8176.676.10000112.5Y372 N402 I403 V404 L410Y372-S406 VanDerWaalsContact OH-C 3.24Å; Y372-S406 VanDerWaalsContact OH-CA 3.22Å; Y372-S406 WeakPolarHBondContact OH-CA 3.31Å; Y372-S406 PolarHBondContact OH-O 3.35Å; N402-S406 WeakPolarHBondContact O-CB 3.43Å; N402-S406 PolarHBondContact O-N 3.38Å; N402-S406 PolarHBondContact O-OG 3.38Å; I403-S406 PolarHBondContact O-N 2.97Å; I403-S406 PolarHBondContact O-OG 3.25Å; V404-S406 VanDerWaalsContact C-N 3.27Å; V404-S406 PolarHBondContact O-N 3.18Å; S406-L410 WeakPolarHBondContact O-CG 3.19Å
407V93Very high92.6Very high2 Ų219 Ų191%0.01210%0.095CC..Hα-helixtrans-74.8-37.2176.6176.30000111.2W323 I403 V404 A405 L409 L410 Y411 L518 F523 V527 L530W323-V407 HydrophobicContact CH2-CG1 4.48Å; I403-V407 PolarHBondContact O-N 3.13Å; V404-V407 PolarHBondContact O-N 2.92Å; A405-V407 VanDerWaalsContact C-N 3.32Å; A405-V407 PolarHBondContact O-N 2.69Å; V407-L409 VanDerWaalsContact C-N 3.33Å; V407-L409 PolarHBondContact O-N 3.26Å; V407-L410 WeakPolarHBondContact O-CB 3.49Å; V407-L410 PolarHBondContact O-N 3.11Å; V407-Y411 HydrophobicContact CG1-CE2 4.5Å; V407-L518 HydrophobicContact CB-CD1 4.16Å; V407-L518 HydrophobicContact CB-CD2 4.3Å; V407-L518 HydrophobicContact CG1-CD2 4.14Å; V407-L518 HydrophobicContact CG2-CD1 3.88Å; V407-L518 HydrophobicContact CG2-CD2 3.85Å; V407-L518 HydrophobicContact CG2-CG 4.4Å; V407-F523 HydrophobicContact CG1-CE2 4.05Å; V407-F523 HydrophobicContact CG2-CE2 4.15Å; V407-V527 HydrophobicContact CG1-CG2 4.42Å; V407-L530 HydrophobicContact CG1-CD1 3.79Å
408L95.4Very high93.1Very high0 Ų018.2 Ų18.20%09%0.092CC..Hα-helixtrans-60.3-42.4177.2-60.7177.6000112.1W323 V404 A405 L410 Y411 C412 S417 L420 L421 I424 F534W323-L408 HydrophobicContact CE3-CD2 4.05Å; W323-L408 HydrophobicContact CZ3-CD2 3.96Å; V404-L408 HydrophobicContact CG1-CD1 4.23Å; V404-L408 HydrophobicContact CG1-CG 4.46Å; V404-L408 WeakPolarHBondContact O-CG 3.41Å; V404-L408 PolarHBondContact O-N 3.33Å; V404-L408 VanDerWaalsContact O-N 3.09Å; A405-L408 PolarHBondContact O-N 3.46Å; L408-L410 PolarHBondContact O-N 3.47Å; L408-Y411 PolarHBondContact O-N 2.94Å; L408-Y411 VanDerWaalsContact O-N 3.13Å; L408-C412 WeakPolarHBondContact O-CB 3.44Å; L408-C412 PolarHBondContact O-N 3.05Å; L408-C412 PolarHBondContact O-SG 3.41Å; L408-C412 VanDerWaalsContact O-SG 3.39Å; L408-S417 VanDerWaalsContact C-OG 3.26Å; L408-S417 PolarHBondContact O-OG 3.32Å; L408-L420 HydrophobicContact CD1-CB 3.83Å; L408-L420 HydrophobicContact CD2-CB 4.25Å; L408-L420 HydrophobicContact CD2-CD1 4.17Å; L408-L421 HydrophobicContact CD1-CB 4.23Å; L408-I424 HydrophobicContact CD1-CD1 4.27Å; L408-F534 HydrophobicContact CD2-CE2 4.15Å; L408-F534 HydrophobicContact CD2-CZ 3.82Å
409L94.3Very high93.6Very high2 Ų217.4 Ų17.41%0.019%0.086CC..Hα-helixtrans-65.6-17.4179.6-81.4169.2000113.8F262 Y372 L381 V384 A405 V407 E414 S417F262-L409 HydrophobicContact CD2-CB 4.09Å; F262-L409 WeakPolarHBondContact CD2-O 3.17Å; F262-L409 HydrophobicContact CE2-CB 4.19Å; F262-L409 PolarHBondContact N-O 3.48Å; Y372-L409 WeakPolarHBondContact OH-CB 3.38Å; L381-L409 HydrophobicContact CB-CD1 3.99Å; L381-L409 HydrophobicContact CD1-CD1 4.02Å; V384-L409 HydrophobicContact CG2-CD1 4.38Å; V384-L409 HydrophobicContact CG2-CD2 4.1Å; A405-L409 PolarHBondContact O-N 3.01Å; A405-L409 VanDerWaalsContact O-N 3.07Å; V407-L409 VanDerWaalsContact C-N 3.33Å; V407-L409 PolarHBondContact O-N 3.26Å; L409-E414 HydrophobicContact CD2-CG 3.92Å; L409-S417 WeakPolarHBondContact CA-OG 3.24Å; L409-S417 PolarHBondContact N-OG 2.94Å
410L91.4Very high94.5Very high2 Ų212.7 Ų12.71%0.016%0.064CC..Hα-helixtrans-68-40.6172.8-61.5-179.4000111F262 A263 F366 H369 A371 Y372 S406 V407 L408 F523F262-L410 HydrophobicContact CB-CD2 4.2Å; F262-L410 PolarHBondContact N-O 2.92Å; A263-L410 WeakPolarHBondContact CB-O 3Å; A263-L410 PolarHBondContact N-O 3.11Å; F366-L410 HydrophobicContact CD1-CD1 4.49Å; F366-L410 HydrophobicContact CE1-CD1 4.24Å; H369-L410 WeakPolarHBondContact CE1-CD2 3.49Å; A371-L410 HydrophobicContact CB-CD2 4.07Å; Y372-L410 HydrophobicContact CE2-CD2 4.12Å; S406-L410 WeakPolarHBondContact O-CG 3.19Å; V407-L410 WeakPolarHBondContact O-CB 3.49Å; V407-L410 PolarHBondContact O-N 3.11Å; L408-L410 PolarHBondContact O-N 3.47Å; L410-F523 HydrophobicContact CD1-CE2 3.73Å; L410-F523 HydrophobicContact CD1-CZ 3.56Å
411Y92.8Very high95Very high19 Ų1912.4 Ų12.48%0.0756%0.062CC..Hα-helixtrans-103.9-15.8-171.8-60.8-74000114.1A263 E316 R319 G320 W323 V407 L408 F523 V527A263-Y411 HydrophobicContact CB-CD1 4.38Å; A263-Y411 HydrophobicContact CB-CE1 4.45Å; E316-Y411 HydrophobicContact CG-CE1 4.22Å; R319-Y411 HydrophobicContact CB-CD1 3.99Å; R319-Y411 HydrophobicContact CB-CG 4.13Å; G320-Y411 WeakPolarHBondContact CA-O 3.16Å; W323-Y411 AromaticContact CH2-CD2 3.4Å; W323-Y411 HydrophobicContact CH2-CD2 3.4Å; W323-Y411 AromaticContact CH2-CE2 3.9Å; W323-Y411 HydrophobicContact CH2-CE2 3.9Å; W323-Y411 HydrophobicContact CH2-CG 4.15Å; W323-Y411 HydrophobicContact CZ2-CD2 4.34Å; W323-Y411 AromaticContact CZ3-CD2 3.61Å; W323-Y411 HydrophobicContact CZ3-CD2 3.61Å; W323-Y411 HydrophobicContact CZ3-CG 4.15Å; V407-Y411 HydrophobicContact CG1-CE2 4.5Å; L408-Y411 PolarHBondContact O-N 2.94Å; L408-Y411 VanDerWaalsContact O-N 3.13Å; Y411-F523 HydrophobicContact CE2-CZ 4.12Å; Y411-F523 WeakPolarHBondContact OH-CZ 3.42Å; Y411-V527 HydrophobicContact CE2-CG1 4.22Å; Y411-V527 HydrophobicContact CE2-CG2 4.02Å
412C94.7Very high95.2Very high1 Ų112.4 Ų12.41%0.0076%0.062CC..SBendtrans-123.1166.5-172.5-47.40000112C261 G320 L408 Q416 L420C261-C412 WeakPolarHBondContact CB-O 3.46Å; G320-C412 VanDerWaalsContact CA-SG 3.53Å; L408-C412 WeakPolarHBondContact O-CB 3.44Å; L408-C412 PolarHBondContact O-N 3.05Å; L408-C412 PolarHBondContact O-SG 3.41Å; L408-C412 VanDerWaalsContact O-SG 3.39Å; C412-Q416 HydrophobicContact CB-CB 3.69Å; C412-L420 WeakPolarHBondContact SG-CD1 3.21Å
413T94.6Very high95.2Very high49 Ų4912 Ų1230%0.3016%0.06SC..  trans-73.7167.9164.566.50000110.9E415 Q416 S417T413-E415 PolarHBondContact O-N 2.97Å; T413-Q416 PolarHBondContact O-N 3.27Å; T413-Q416 WeakPolarHBondContact OG1-CB 3.29Å; T413-Q416 VanDerWaalsContact OG1-CG 3.27Å; T413-Q416 WeakPolarHBondContact OG1-CG 3.43Å; T413-Q416 PolarHBondContact OG1-N 3.19Å; T413-Q416 PolarHBondContact OG1-OE1 3.08Å; T413-S417 WeakPolarHBondContact O-CB 3.18Å; T413-S417 PolarHBondContact O-N 3.29Å; T413-S417 PolarHBondContact O-OG 3.38Å; T413-S417 VanDerWaalsContact O-OG 3.12Å
414E95.5Very high95.3Very high43 Ų4310.5 Ų10.520%0.2015%0.052CC..Hα-helixtrans-56.3-48.5178.5-76.1178.4-158.200113.3Y340 S380 R383 V384 L409 Q416 S417 F418Y340-E414 HydrophobicContact CE1-CB 4.12Å; S380-E414 WeakPolarHBondContact CA-OE1 3.31Å; S380-E414 WeakPolarHBondContact CB-OE1 2.91Å; S380-E414 PolarHBondContact OG-OE1 3.28Å; R383-E414 IonicContact CZ-OE1 2.87Å; R383-E414 IonicContact CZ-OE2 3.27Å; R383-E414 IonicContact NE-OE1 2.93Å; R383-E414 IonicContact NE-OE2 2.73Å; R383-E414 PolarHBondContact NE-OE2 3.3Å; R383-E414 IonicContact NH2-OE1 3.73Å; R383-E414 PolarHBondContact NH2-OE1 2.97Å; R383-E414 IonicContact NH2-OE2 3.02Å; R383-E414 PolarHBondContact NH2-OE2 3.24Å; V384-E414 HydrophobicContact CG2-CB 4.16Å; V384-E414 HydrophobicContact CG2-CG 4.33Å; L409-E414 HydrophobicContact CD2-CG 3.92Å; E414-Q416 PolarHBondContact O-N 3.32Å; E414-S417 PolarHBondContact O-N 3.49Å; E414-F418 WeakPolarHBondContact O-CB 3.3Å; E414-F418 PolarHBondContact O-N 3Å
415E96.6Very high95.2Very high57 Ų5710.7 Ų10.727%0.2665%0.054SC..Hα-helixtrans-63.4-42.5178.8179.8174.7-15700111.5M333 Y340 T413 S417 F418 W419M333-E415 HydrophobicContact CG-CG 4.29Å; M333-E415 HydrophobicContact SD-CG 4.11Å; Y340-E415 HydrophobicContact CD1-CB 4.1Å; Y340-E415 HydrophobicContact CG-CB 4.28Å; Y340-E415 HydrophobicContact CG-CG 4.33Å; T413-E415 PolarHBondContact O-N 2.97Å; E415-S417 PolarHBondContact O-N 2.82Å; E415-F418 WeakPolarHBondContact O-CB 3.4Å; E415-F418 PolarHBondContact O-N 2.75Å; E415-W419 PolarHBondContact O-N 3.2Å
416Q97.5Very high94.9Very high44 Ų4413.9 Ų13.921%0.2067%0.069CC..Hα-helixtrans-62.8-43.7175.8-73.2174.7-22.700111.8M324 M333 C412 T413 E414 F418 W419 L420M324-Q416 HydrophobicContact CE-CB 4.31Å; M324-Q416 HydrophobicContact CE-CG 4.11Å; M324-Q416 HydrophobicContact CG-CB 4.29Å; M324-Q416 HydrophobicContact CG-CG 4.19Å; M324-Q416 HydrophobicContact SD-CB 3.77Å; M324-Q416 HydrophobicContact SD-CG 4.04Å; M333-Q416 HydrophobicContact SD-CG 4.05Å; C412-Q416 HydrophobicContact CB-CB 3.69Å; T413-Q416 PolarHBondContact O-N 3.27Å; T413-Q416 WeakPolarHBondContact OG1-CB 3.29Å; T413-Q416 VanDerWaalsContact OG1-CG 3.27Å; T413-Q416 WeakPolarHBondContact OG1-CG 3.43Å; T413-Q416 PolarHBondContact OG1-N 3.19Å; T413-Q416 PolarHBondContact OG1-OE1 3.08Å; E414-Q416 PolarHBondContact O-N 3.32Å; Q416-F418 VanDerWaalsContact C-N 3.29Å; Q416-F418 PolarHBondContact O-N 3.32Å; Q416-W419 PolarHBondContact O-N 3.32Å; Q416-L420 PolarHBondContact O-N 2.72Å
417S98.1Very high94.6Very high0 Ų015.3 Ų15.30%07%0.074CC..Hα-helixtrans-60.7-39.2175.2-65.60000111.9L408 L409 T413 E414 E415 L421L408-S417 VanDerWaalsContact C-OG 3.26Å; L408-S417 PolarHBondContact O-OG 3.32Å; L409-S417 WeakPolarHBondContact CA-OG 3.24Å; L409-S417 PolarHBondContact N-OG 2.94Å; T413-S417 WeakPolarHBondContact O-CB 3.18Å; T413-S417 PolarHBondContact O-N 3.29Å; T413-S417 PolarHBondContact O-OG 3.38Å; T413-S417 VanDerWaalsContact O-OG 3.12Å; E414-S417 PolarHBondContact O-N 3.49Å; E415-S417 PolarHBondContact O-N 2.82Å; S417-L421 VanDerWaalsContact O-CB 3.28Å; S417-L421 WeakPolarHBondContact O-CB 3.47Å; S417-L421 PolarHBondContact O-N 3.35Å
418F97.8Very high94.5Very high0 Ų015.7 Ų15.70%08%0.076CC..Hα-helixtrans-61.9-45.3174.4165.5-95.3000112.4Y339 Y340 L343 V384 A387 R391 E414 E415 Q416 L421 T422Y339-F418 HydrophobicContact CD1-CE1 4.09Å; Y339-F418 HydrophobicContact CD1-CZ 4.26Å; Y339-F418 HydrophobicContact CE1-CE1 4.23Å; Y339-F418 AromaticContact CE1-CZ 3.97Å; Y339-F418 HydrophobicContact CE1-CZ 3.97Å; Y340-F418 HydrophobicContact CD2-CB 3.7Å; Y340-F418 AromaticContact CD2-CD1 3.71Å; Y340-F418 HydrophobicContact CD2-CD1 3.71Å; Y340-F418 AromaticContact CD2-CD2 3.85Å; Y340-F418 HydrophobicContact CD2-CD2 3.85Å; Y340-F418 HydrophobicContact CD2-CE1 4.28Å; Y340-F418 HydrophobicContact CD2-CE2 4.39Å; Y340-F418 AromaticContact CD2-CG 3.46Å; Y340-F418 HydrophobicContact CD2-CG 3.46Å; Y340-F418 VanDerWaalsContact CD2-CG 3.46Å; Y340-F418 HydrophobicContact CE2-CB 3.65Å; Y340-F418 HydrophobicContact CE2-CD1 4.47Å; Y340-F418 AromaticContact CE2-CD2 3.95Å; Y340-F418 HydrophobicContact CE2-CD2 3.95Å; Y340-F418 AromaticContact CE2-CG 3.77Å; Y340-F418 HydrophobicContact CE2-CG 3.77Å; Y340-F418 HydrophobicContact CG-CD1 4.47Å; L343-F418 HydrophobicContact CD1-CE1 4.25Å; L343-F418 HydrophobicContact CD1-CE2 3.75Å; L343-F418 HydrophobicContact CD1-CZ 3.36Å; V384-F418 HydrophobicContact CG1-CB 4.33Å; A387-F418 HydrophobicContact CB-CD2 3.93Å; A387-F418 HydrophobicContact CB-CE2 3.97Å; R391-F418 HydrophobicContact CB-CE2 4.47Å; R391-F418 HydrophobicContact CB-CZ 4.44Å; E414-F418 WeakPolarHBondContact O-CB 3.3Å; E414-F418 PolarHBondContact O-N 3Å; E415-F418 WeakPolarHBondContact O-CB 3.4Å; E415-F418 PolarHBondContact O-N 2.75Å; Q416-F418 VanDerWaalsContact C-N 3.29Å; Q416-F418 PolarHBondContact O-N 3.32Å; F418-L421 PolarHBondContact O-N 3.4Å; F418-T422 WeakPolarHBondContact O-CB 3.26Å; F418-T422 PolarHBondContact O-N 3.32Å; F418-T422 PolarHBondContact O-OG1 3.46Å
419W97.1Very high94.4Very high0 Ų015.7 Ų15.70%08%0.076CC..Hα-helixtrans-71.2-35.2178.7-74.4112.3000113.1M324 A329 E332 M333 N336 Y339 E415 Q416 T422 A423M324-W419 HydrophobicContact CE-CB 4.19Å; A329-W419 HydrophobicContact CB-CB 4.25Å; E332-W419 HydrophobicContact CB-CD2 4.42Å; E332-W419 HydrophobicContact CB-CE3 3.62Å; E332-W419 HydrophobicContact CB-CH2 4.49Å; E332-W419 HydrophobicContact CB-CZ3 3.67Å; M333-W419 HydrophobicContact CB-CB 4.38Å; M333-W419 VanDerWaalsContact CB-CD1 3.41Å; M333-W419 HydrophobicContact CB-CD2 4.17Å; M333-W419 HydrophobicContact CB-CG 3.75Å; M333-W419 HydrophobicContact CG-CG 4.2Å; N336-W419 HydrophobicContact CB-CH2 3.66Å; N336-W419 HydrophobicContact CB-CZ2 3.61Å; Y339-W419 AromaticContact CD1-CH2 3.86Å; Y339-W419 HydrophobicContact CD1-CH2 3.86Å; Y339-W419 AromaticContact CD1-CZ2 3.76Å; Y339-W419 HydrophobicContact CD1-CZ2 3.76Å; Y339-W419 HydrophobicContact CE1-CH2 4.36Å; Y339-W419 HydrophobicContact CG-CH2 4.5Å; Y339-W419 HydrophobicContact CG-CZ2 4.3Å; E415-W419 PolarHBondContact O-N 3.2Å; Q416-W419 PolarHBondContact O-N 3.32Å; W419-T422 HydrophobicContact CE3-CG2 4.31Å; W419-T422 HydrophobicContact CZ3-CG2 4.41Å; W419-T422 WeakPolarHBondContact O-CB 2.95Å; W419-T422 PolarHBondContact O-N 3.02Å; W419-A423 WeakPolarHBondContact O-CB 3.32Å; W419-A423 PolarHBondContact O-N 2.79Å
420L98Very high93.9Very high0 Ų017.3 Ų17.30%09%0.086CC..Hα-helixtrans-64-43.2170.8-77.9168.1000111.5W323 M324 S327 A329 L408 C412 Q416 T422 A423 I424 F534W323-L420 HydrophobicContact CB-CD1 4.05Å; W323-L420 HydrophobicContact CB-CD2 4.08Å; W323-L420 HydrophobicContact CE3-CD1 4.35Å; M324-L420 HydrophobicContact CG-CD1 4.39Å; M324-L420 HydrophobicContact SD-CD1 3.91Å; M324-L420 HydrophobicContact SD-CD2 4.14Å; M324-L420 HydrophobicContact SD-CG 3.58Å; M324-L420 VanDerWaalsContact SD-CG 3.58Å; S327-L420 VanDerWaalsContact OG-CD2 3.27Å; S327-L420 WeakPolarHBondContact OG-CD2 3.41Å; A329-L420 HydrophobicContact CB-CD2 3.96Å; A329-L420 HydrophobicContact CB-CG 4.31Å; L408-L420 HydrophobicContact CD1-CB 3.83Å; L408-L420 HydrophobicContact CD2-CB 4.25Å; L408-L420 HydrophobicContact CD2-CD1 4.17Å; C412-L420 WeakPolarHBondContact SG-CD1 3.21Å; Q416-L420 PolarHBondContact O-N 2.72Å; L420-T422 VanDerWaalsContact C-N 3.31Å; L420-T422 PolarHBondContact O-N 3Å; L420-A423 PolarHBondContact O-N 2.98Å; L420-I424 VanDerWaalsContact O-CG1 3.29Å; L420-I424 WeakPolarHBondContact O-CG1 3.17Å; L420-I424 PolarHBondContact O-N 3.48Å; L420-F534 HydrophobicContact CD2-CD1 4.33Å; L420-F534 HydrophobicContact CD2-CE1 3.81Å; L420-F534 HydrophobicContact CD2-CZ 3.96Å
421L97.4Very high93.6Very high0 Ų018.5 Ų18.50%09%0.093CC..Hα-helixtrans-61.7-43.4175.6-174.363.1000111V384 L385 Y388 M401 V404 A405 L408 S417 F418 A423 I424 C425V384-L421 HydrophobicContact CG1-CD2 4.21Å; L385-L421 HydrophobicContact CD2-CD2 4.37Å; Y388-L421 HydrophobicContact CD2-CD2 4.47Å; Y388-L421 HydrophobicContact CD2-CG 4.39Å; Y388-L421 HydrophobicContact CG-CD2 4.04Å; Y388-L421 HydrophobicContact CG-CG 4.38Å; M401-L421 HydrophobicContact CG-CD1 3.74Å; M401-L421 HydrophobicContact CG-CD2 4.09Å; M401-L421 HydrophobicContact CG-CG 4.39Å; M401-L421 HydrophobicContact SD-CD1 4.27Å; M401-L421 HydrophobicContact SD-CD2 4.11Å; M401-L421 HydrophobicContact SD-CG 4.42Å; V404-L421 HydrophobicContact CG1-CD1 4.39Å; A405-L421 HydrophobicContact CB-CD2 4.31Å; L408-L421 HydrophobicContact CD1-CB 4.23Å; S417-L421 VanDerWaalsContact O-CB 3.28Å; S417-L421 WeakPolarHBondContact O-CB 3.47Å; S417-L421 PolarHBondContact O-N 3.35Å; F418-L421 PolarHBondContact O-N 3.4Å; L421-A423 PolarHBondContact O-N 3.02Å; L421-I424 PolarHBondContact O-N 3.18Å; L421-C425 PolarHBondContact O-N 3.48Å; L421-C425 PolarHBondContact O-SG 3.11Å
422T94.9Very high93.5Very high0 Ų017.6 Ų17.60%09%0.089CC..Hα-helixtrans-57.5-48.8174.3-58.60000111.2F418 W419 L420 I424 C425 E426F418-T422 WeakPolarHBondContact O-CB 3.26Å; F418-T422 PolarHBondContact O-N 3.32Å; F418-T422 PolarHBondContact O-OG1 3.46Å; W419-T422 HydrophobicContact CE3-CG2 4.31Å; W419-T422 HydrophobicContact CZ3-CG2 4.41Å; W419-T422 WeakPolarHBondContact O-CB 2.95Å; W419-T422 PolarHBondContact O-N 3.02Å; L420-T422 VanDerWaalsContact C-N 3.31Å; L420-T422 PolarHBondContact O-N 3Å; T422-I424 VanDerWaalsContact C-N 3.32Å; T422-I424 PolarHBondContact O-N 2.8Å; T422-C425 PolarHBondContact O-N 3.03Å; T422-E426 HydrophobicContact CG2-CG 4.27Å; T422-E426 WeakPolarHBondContact CG2-OE2 3.3Å; T422-E426 VanDerWaalsContact O-CB 3.31Å; T422-E426 WeakPolarHBondContact O-CB 3.29Å; T422-E426 PolarHBondContact O-N 2.76Å
423A94.3Very high93.1Very high0 Ų017.7 Ų17.70%09%0.089CC..Hα-helixtrans-61.1-39.1177.300000112.4A329 W419 L420 L421 R427 L428A329-A423 HydrophobicContact CB-CB 4.08Å; W419-A423 WeakPolarHBondContact O-CB 3.32Å; W419-A423 PolarHBondContact O-N 2.79Å; L420-A423 PolarHBondContact O-N 2.98Å; L421-A423 PolarHBondContact O-N 3.02Å; A423-R427 WeakPolarHBondContact O-CB 3.22Å; A423-R427 PolarHBondContact O-N 3.11Å; A423-L428 PolarHBondContact O-N 3.24Å
424I95.1Very high92.4Very high0 Ų016 Ų160%08%0.079CC..Iπ-helixtrans-62.6-55175.9-69.9169.5000110.5V404 L408 L420 L421 T422 L428 L429 Y433 L516 F533 F534V404-I424 HydrophobicContact CG1-CD1 3.69Å; L408-I424 HydrophobicContact CD1-CD1 4.27Å; L420-I424 VanDerWaalsContact O-CG1 3.29Å; L420-I424 WeakPolarHBondContact O-CG1 3.17Å; L420-I424 PolarHBondContact O-N 3.48Å; L421-I424 PolarHBondContact O-N 3.18Å; T422-I424 VanDerWaalsContact C-N 3.32Å; T422-I424 PolarHBondContact O-N 2.8Å; I424-L428 HydrophobicContact CG1-CD1 4.32Å; I424-L429 HydrophobicContact CG2-CD1 4.4Å; I424-L429 WeakPolarHBondContact O-CA 3.03Å; I424-L429 PolarHBondContact O-N 2.97Å; I424-Y433 HydrophobicContact CG2-CE2 3.91Å; I424-L516 HydrophobicContact CD1-CD1 4.21Å; I424-F533 HydrophobicContact CG1-CE1 4.17Å; I424-F534 HydrophobicContact CD1-CE1 3.97Å; I424-F534 HydrophobicContact CD1-CZ 3.91Å; I424-F534 HydrophobicContact CG1-CE1 3.94Å; I424-F534 HydrophobicContact CG1-CZ 4.4Å
425C92.5Very high91.4Very high6 Ų617.8 Ų17.84%0.04110%0.096CC..Iπ-helixtrans-76.9-33-169.9-59.40000113.6Y388 L421 T422 Y433Y388-C425 HydrophobicContact CE1-CB 4.25Å; Y388-C425 HydrophobicContact CE2-CB 3.98Å; Y388-C425 VanDerWaalsContact CZ-CB 3.48Å; Y388-C425 WeakPolarHBondContact OH-CB 3.3Å; L421-C425 PolarHBondContact O-N 3.48Å; L421-C425 PolarHBondContact O-SG 3.11Å; T422-C425 PolarHBondContact O-N 3.03Å; C425-Y433 HydrophobicContact CB-CD2 4.08Å; C425-Y433 WeakPolarHBondContact SG-CD2 3.29Å
426E88.6Confident90.5Very high67 Ų6716.8 Ų16.831%0.3139%0.09SC..Iπ-helixtrans-97.3-25.3-173.6-60.9-176.7-179.700113.2Y388 R391 N392 T422Y388-E426 HydrophobicContact CE2-CG 4.44Å; R391-E426 IonicContact CZ-OE1 3.31Å; R391-E426 IonicContact CZ-OE2 3.29Å; R391-E426 IonicContact NE-OE1 3.88Å; R391-E426 PolarHBondContact NE-OE1 2.97Å; R391-E426 IonicContact NE-OE2 3.47Å; R391-E426 PolarHBondContact NE-OE2 2.87Å; R391-E426 IonicContact NH2-OE1 2.77Å; R391-E426 IonicContact NH2-OE2 3.16Å; R391-E426 PolarHBondContact NH2-OE2 3.42Å; N392-E426 PolarHBondContact ND2-OE1 3.45Å; T422-E426 HydrophobicContact CG2-CG 4.27Å; T422-E426 WeakPolarHBondContact CG2-OE2 3.3Å; T422-E426 VanDerWaalsContact O-CB 3.31Å; T422-E426 WeakPolarHBondContact O-CB 3.29Å; T422-E426 PolarHBondContact O-N 2.76Å
427R87.9Confident89.9Confident29 Ų2915.9 Ų15.911%0.1099%0.087CC..Iπ-helixtrans-126.4-52.6-171.7-177.4159.747.376.3-3.6114.6L118 S327 E332 A423L118-R427 VanDerWaalsContact O-CD 3.31Å; L118-R427 WeakPolarHBondContact O-CD 3.22Å; S327-R427 PolarHBondContact O-NH1 3.31Å; S327-R427 PolarHBondContact O-NH2 3.13Å; E332-R427 IonicContact OE1-CZ 2.67Å; E332-R427 IonicContact OE1-NE 3.65Å; E332-R427 PolarHBondContact OE1-NE 2.78Å; E332-R427 IonicContact OE1-NH2 3.88Å; E332-R427 PolarHBondContact OE1-NH2 3.47Å; A423-R427 WeakPolarHBondContact O-CB 3.22Å; A423-R427 PolarHBondContact O-N 3.11Å
428L91Very high89.3Confident10 Ų1015.9 Ų15.95%0.0529%0.087CC..Iπ-helixtrans-74-38.8-175.5-61.2173.8000112A423 I424 F533 F534A423-L428 PolarHBondContact O-N 3.24Å; I424-L428 HydrophobicContact CG1-CD1 4.32Å; L428-F533 HydrophobicContact CB-CZ 3.85Å; L428-F533 HydrophobicContact CD1-CE1 3.77Å; L428-F533 HydrophobicContact CD1-CZ 3.89Å; L428-F533 HydrophobicContact CG-CZ 4.47Å; L428-F534 HydrophobicContact CD1-CD1 4.11Å; L428-F534 HydrophobicContact CD1-CE1 4.33Å
429L91.8Very high88.8Confident0 Ų016 Ų160%09%0.089CC..SBendtrans-136.166.1-177.2-62.7176.5000110.9I424 Y432 L516 F533 A538 I541I424-L429 HydrophobicContact CG2-CD1 4.4Å; I424-L429 WeakPolarHBondContact O-CA 3.03Å; I424-L429 PolarHBondContact O-N 2.97Å; L429-Y432 HydrophobicContact CB-CD1 4.07Å; L429-Y432 HydrophobicContact CB-CD2 3.79Å; L429-Y432 HydrophobicContact CB-CE1 4.46Å; L429-Y432 HydrophobicContact CB-CE2 4.17Å; L429-Y432 HydrophobicContact CB-CG 3.74Å; L429-Y432 HydrophobicContact CD1-CD2 3.75Å; L429-Y432 HydrophobicContact CD1-CE2 3.74Å; L429-Y432 HydrophobicContact CD2-CD2 4.31Å; L429-Y432 HydrophobicContact CD2-CE1 4.27Å; L429-Y432 HydrophobicContact CD2-CE2 3.8Å; L429-Y432 HydrophobicContact CG-CD2 4.17Å; L429-Y432 HydrophobicContact CG-CE2 4.12Å; L429-Y432 WeakPolarHBondContact O-CB 3.35Å; L429-Y432 PolarHBondContact O-N 2.9Å; L429-L516 HydrophobicContact CD1-CD2 3.51Å; L429-L516 HydrophobicContact CD1-CG 4.43Å; L429-F533 HydrophobicContact CD1-CE2 4.07Å; L429-F533 HydrophobicContact CD1-CZ 3.85Å; L429-F533 HydrophobicContact CD2-CE2 4.38Å; L429-F533 HydrophobicContact CG-CE2 4.19Å; L429-F533 HydrophobicContact CG-CZ 4.02Å; L429-A538 HydrophobicContact CD2-CB 3.95Å; L429-I541 HydrophobicContact CD2-CD1 3.89Å
430P84.9Confident88.4Confident36 Ų3616 Ų1623%0.2349%0.089CC..THydrogen-bonded Turntrans-61.8144.3-178.927.3-34.8000111.3Y432P430-Y432 PolarHBondContact O-N 3.18Å
431D85.3Confident87.9Confident27 Ų2718.1 Ų18.114%0.14410%0.096CC..THydrogen-bonded Turntrans64.87.9-179.9-50.9-34.4000115R70 A438 G439R70-D431 IonicContact CZ-OD1 3.32Å; R70-D431 IonicContact CZ-OD2 3.23Å; R70-D431 IonicContact NE-OD1 3.96Å; R70-D431 IonicContact NE-OD2 3.28Å; R70-D431 PolarHBondContact NE-OD2 3.36Å; R70-D431 VanDerWaalsContact NH2-CG 3.31Å; R70-D431 IonicContact NH2-OD1 2.72Å; R70-D431 PolarHBondContact NH2-OD1 3.19Å; R70-D431 IonicContact NH2-OD2 2.8Å; R70-D431 PolarHBondContact NH2-OD2 3.35Å; R70-D431 VanDerWaalsContact NH2-OD2 3.16Å; D431-A438 PolarHBondContact O-N 3.33Å; D431-G439 WeakPolarHBondContact O-CA 3.47Å; D431-G439 PolarHBondContact O-N 2.76Å
432Y89.3Confident87.4Confident1 Ų118.1 Ų18.10%0.00410%0.097CC..THydrogen-bonded Turntrans-69-36.9178.6-95.738.2000113.4L429 P430 V437 G439 V440 D443 F513 L514 I541L429-Y432 HydrophobicContact CB-CD1 4.07Å; L429-Y432 HydrophobicContact CB-CD2 3.79Å; L429-Y432 HydrophobicContact CB-CE1 4.46Å; L429-Y432 HydrophobicContact CB-CE2 4.17Å; L429-Y432 HydrophobicContact CB-CG 3.74Å; L429-Y432 HydrophobicContact CD1-CD2 3.75Å; L429-Y432 HydrophobicContact CD1-CE2 3.74Å; L429-Y432 HydrophobicContact CD2-CD2 4.31Å; L429-Y432 HydrophobicContact CD2-CE1 4.27Å; L429-Y432 HydrophobicContact CD2-CE2 3.8Å; L429-Y432 HydrophobicContact CG-CD2 4.17Å; L429-Y432 HydrophobicContact CG-CE2 4.12Å; L429-Y432 WeakPolarHBondContact O-CB 3.35Å; L429-Y432 PolarHBondContact O-N 2.9Å; P430-Y432 PolarHBondContact O-N 3.18Å; Y432-V437 WeakPolarHBondContact O-CG1 3.43Å; Y432-G439 VanDerWaalsContact CE1-C 3.46Å; Y432-V440 HydrophobicContact CD1-CG2 3.77Å; Y432-V440 HydrophobicContact CD2-CG2 3.56Å; Y432-V440 HydrophobicContact CE1-CB 4.5Å; Y432-V440 HydrophobicContact CE1-CG2 4.05Å; Y432-V440 HydrophobicContact CE2-CG2 3.89Å; Y432-V440 HydrophobicContact CG-CG2 3.48Å; Y432-V440 VanDerWaalsContact CG-CG2 3.48Å; Y432-D443 HydrophobicContact CE1-CB 4.18Å; Y432-D443 WeakPolarHBondContact CE1-OD2 3.23Å; Y432-D443 VanDerWaalsContact CZ-OD2 3.25Å; Y432-D443 WeakPolarHBondContact OH-CB 3.37Å; Y432-D443 PolarHBondContact OH-OD2 3.46Å; Y432-F513 HydrophobicContact CE2-CB 3.71Å; Y432-F513 VanDerWaalsContact OH-CD2 3.26Å; Y432-F513 WeakPolarHBondContact OH-CD2 3.3Å; Y432-L514 WeakPolarHBondContact O-CD1 3.47Å; Y432-I541 HydrophobicContact CE2-CD1 4.33Å; Y432-I541 WeakPolarHBondContact OH-CD1 3.26Å
433Y87Confident87.2Confident2 Ų218.2 Ų18.21%0.00810%0.097CC..THydrogen-bonded Turntrans-108.517.7-171.7-59.8-78.4000112.4V395 C398 S400 M401 I424 C425 L514V395-Y433 WeakPolarHBondContact CG1-O 3.49Å; C398-Y433 HydrophobicContact CB-CD1 4.1Å; C398-Y433 HydrophobicContact CB-CG 4.46Å; C398-Y433 WeakPolarHBondContact CB-O 3.22Å; S400-Y433 WeakPolarHBondContact OG-CE1 3.25Å; M401-Y433 HydrophobicContact CB-CD1 4.24Å; M401-Y433 HydrophobicContact CB-CE1 4.49Å; I424-Y433 HydrophobicContact CG2-CE2 3.91Å; C425-Y433 HydrophobicContact CB-CD2 4.08Å; C425-Y433 WeakPolarHBondContact SG-CD2 3.29Å; Y433-L514 HydrophobicContact CD1-CD1 3.96Å; Y433-L514 HydrophobicContact CE1-CD1 3.87Å; Y433-L514 HydrophobicContact CE1-CG 4.38Å; Y433-L514 WeakPolarHBondContact CE1-O 3.27Å; Y433-L514 PolarHBondContact OH-O 3.21Å
434D78.9Confident86.9Confident15 Ų1518.4 Ų18.48%0.0810%0.098CC..SBendtrans-72168.2169.174.625.6000111.1R436 V437 A438D434-R436 PolarHBondContact O-N 3.08Å; D434-R436 VanDerWaalsContact OD1-C 3.28Å; D434-R436 WeakPolarHBondContact OD1-CA 3.35Å; D434-R436 PolarHBondContact OD1-N 3.21Å; D434-V437 PolarHBondContact O-N 2.8Å; D434-V437 WeakPolarHBondContact OD1-CA 3.44Å; D434-V437 PolarHBondContact OD1-N 2.86Å; D434-A438 PolarHBondContact OD1-N 3.25Å; D434-A438 WeakPolarHBondContact OD2-CB 3.15Å
435S76.1Confident86.5Confident79 Ų7920.2 Ų20.255%0.55211%0.106SC*.THydrogen-bonded Turntrans-58-21.6-177.559.80000114.5
436R78Confident86.4Confident37 Ų3719.9 Ų19.914%0.1410%0.104CC..THydrogen-bonded Turntrans-109.43.2-178.3-71.3176.5-67.2-117.2-37.5113.1L73 D75 D434 A438 R441 L623L73-R436 VanDerWaalsContact CA-CZ 3.41Å; L73-R436 VanDerWaalsContact CD2-NE 3.28Å; L73-R436 PolarHBondContact O-NH2 3.15Å; D75-R436 IonicContact OD1-CZ 3.33Å; D75-R436 IonicContact OD1-NH1 3.02Å; D75-R436 PolarHBondContact OD1-NH1 3.2Å; D75-R436 IonicContact OD1-NH2 2.99Å; D75-R436 IonicContact OD2-NH2 3.02Å; D434-R436 PolarHBondContact O-N 3.08Å; D434-R436 VanDerWaalsContact OD1-C 3.28Å; D434-R436 WeakPolarHBondContact OD1-CA 3.35Å; D434-R436 PolarHBondContact OD1-N 3.21Å; R436-A438 PolarHBondContact O-N 3.3Å; R436-R441 PolarHBondContact O-NE 3.16Å; R436-L623 HydrophobicContact CB-CD1 4.33Å
437V84.7Confident86.5Confident24 Ų2416.8 Ų16.815%0.1459%0.09CC..  trans43.343.7-171.1-65.90000111.9Y432 D434 G439 V440 R441 L510 L514Y432-V437 WeakPolarHBondContact O-CG1 3.43Å; D434-V437 PolarHBondContact O-N 2.8Å; D434-V437 WeakPolarHBondContact OD1-CA 3.44Å; D434-V437 PolarHBondContact OD1-N 2.86Å; V437-G439 VanDerWaalsContact C-N 3.3Å; V437-G439 PolarHBondContact O-N 3.29Å; V437-V440 HydrophobicContact CB-CB 4.44Å; V437-V440 HydrophobicContact CB-CG2 4.34Å; V437-V440 PolarHBondContact O-N 3.44Å; V437-V440 VanDerWaalsContact O-N 3.13Å; V437-R441 PolarHBondContact O-N 3.16Å; V437-R441 VanDerWaalsContact O-N 3.17Å; V437-L510 HydrophobicContact CG2-CD1 4.26Å; V437-L514 HydrophobicContact CG1-CD1 4.07Å
438A84.2Confident86.4Confident1 Ų117.4 Ų17.41%0.0089%0.094CC..Hα-helixtrans-60.5-39.5-168.300000112.1L73 D431 D434 R436 V440 R441 V442 L623L73-A438 HydrophobicContact CD1-CB 3.79Å; L73-A438 HydrophobicContact CD2-CB 4.29Å; D431-A438 PolarHBondContact O-N 3.33Å; D434-A438 PolarHBondContact OD1-N 3.25Å; D434-A438 WeakPolarHBondContact OD2-CB 3.15Å; R436-A438 PolarHBondContact O-N 3.3Å; A438-V440 PolarHBondContact O-N 2.99Å; A438-R441 PolarHBondContact O-N 2.67Å; A438-V442 WeakPolarHBondContact O-CG2 3.4Å; A438-V442 PolarHBondContact O-N 2.56Å; A438-L623 HydrophobicContact CB-CD1 3.94Å
439G87Confident86.3Confident3 Ų317.6 Ų17.63%0.03110%0.097CC..Hα-helixtrans-61.5-42176.900000112.8D431 Y432 V437 R441 V442 D443D431-G439 WeakPolarHBondContact O-CA 3.47Å; D431-G439 PolarHBondContact O-N 2.76Å; Y432-G439 VanDerWaalsContact CE1-C 3.46Å; V437-G439 VanDerWaalsContact C-N 3.3Å; V437-G439 PolarHBondContact O-N 3.29Å; G439-R441 VanDerWaalsContact C-N 3.35Å; G439-R441 PolarHBondContact O-N 3.23Å; G439-V442 WeakPolarHBondContact O-CB 3.3Å; G439-V442 PolarHBondContact O-N 3.38Å; G439-D443 WeakPolarHBondContact O-CB 3.47Å; G439-D443 PolarHBondContact O-N 3.28Å
440V89.5Confident86.2Confident0 Ų017.6 Ų17.60%010%0.097CC..Hα-helixtrans-65.8-40.4177.8-172.50000110.9Y432 V437 A438 V442 D443 Q444 L510 F513 L514Y432-V440 HydrophobicContact CD1-CG2 3.77Å; Y432-V440 HydrophobicContact CD2-CG2 3.56Å; Y432-V440 HydrophobicContact CE1-CB 4.5Å; Y432-V440 HydrophobicContact CE1-CG2 4.05Å; Y432-V440 HydrophobicContact CE2-CG2 3.89Å; Y432-V440 HydrophobicContact CG-CG2 3.48Å; Y432-V440 VanDerWaalsContact CG-CG2 3.48Å; V437-V440 HydrophobicContact CB-CB 4.44Å; V437-V440 HydrophobicContact CB-CG2 4.34Å; V437-V440 PolarHBondContact O-N 3.44Å; V437-V440 VanDerWaalsContact O-N 3.13Å; A438-V440 PolarHBondContact O-N 2.99Å; V440-V442 VanDerWaalsContact C-N 3.32Å; V440-V442 PolarHBondContact O-N 3.45Å; V440-D443 CarbonylContact O-C 3.55Å; V440-D443 PolarHBondContact O-N 3.07Å; V440-D443 VanDerWaalsContact O-N 3.14Å; V440-Q444 WeakPolarHBondContact O-CG 3.37Å; V440-Q444 PolarHBondContact O-N 3.3Å; V440-L510 HydrophobicContact CB-CD1 4.19Å; V440-L510 HydrophobicContact CG1-CD1 3.65Å; V440-F513 HydrophobicContact CG1-CB 4.09Å; V440-L514 HydrophobicContact CG2-CB 4.48Å; V440-L514 HydrophobicContact CG2-CD1 3.99Å
441R86.6Confident86.5Confident43 Ų4315.9 Ų15.916%0.1629%0.085CC..Hα-helixtrans-65.8-34.7176.8-66.5177.5179.7-96.26.9112.4R436 V437 A438 G439 Q445 I473 V619R436-R441 PolarHBondContact O-NE 3.16Å; V437-R441 PolarHBondContact O-N 3.16Å; V437-R441 VanDerWaalsContact O-N 3.17Å; A438-R441 PolarHBondContact O-N 2.67Å; G439-R441 VanDerWaalsContact C-N 3.35Å; G439-R441 PolarHBondContact O-N 3.23Å; R441-Q445 PolarHBondContact O-N 2.83Å; R441-I473 PolarHBondContact NH1-O 2.89Å; R441-V619 HydrophobicContact CB-CG1 3.75Å
442V87.7Confident86.5Confident1 Ų116.3 Ų16.31%0.0069%0.087CC..Hα-helixtrans-62.8-47.8169.6173.80000110.1A438 G439 V440 Q444 Q445 V446 R612 R616 V619A438-V442 WeakPolarHBondContact O-CG2 3.4Å; A438-V442 PolarHBondContact O-N 2.56Å; G439-V442 WeakPolarHBondContact O-CB 3.3Å; G439-V442 PolarHBondContact O-N 3.38Å; V440-V442 VanDerWaalsContact C-N 3.32Å; V440-V442 PolarHBondContact O-N 3.45Å; V442-Q444 VanDerWaalsContact C-N 3.28Å; V442-Q444 PolarHBondContact O-N 3.32Å; V442-Q445 WeakPolarHBondContact O-CA 3.44Å; V442-Q445 WeakPolarHBondContact O-CB 3.49Å; V442-Q445 PolarHBondContact O-N 2.83Å; V442-V446 HydrophobicContact CG1-CG2 4.34Å; V442-V446 WeakPolarHBondContact O-CG2 3.47Å; V442-V446 PolarHBondContact O-N 3.39Å; V442-R612 HydrophobicContact CG1-CB 4.05Å; V442-R612 HydrophobicContact CG1-CG 3.99Å; V442-R616 HydrophobicContact CG1-CB 4.29Å; V442-R616 HydrophobicContact CG2-CB 3.86Å; V442-R616 HydrophobicContact CG2-CG 3.92Å; V442-V619 HydrophobicContact CG2-CB 3.93Å; V442-V619 HydrophobicContact CG2-CG1 3.95Å; V442-V619 HydrophobicContact CG2-CG2 4.19Å
443D91.4Very high86.5Confident1 Ų122.3 Ų22.31%0.00512%0.115CC..Hα-helixtrans-69.6-23.9-176.8-79.21.2000113.3Y432 G439 V440 V446 L447 F513 F542 R612Y432-D443 HydrophobicContact CE1-CB 4.18Å; Y432-D443 WeakPolarHBondContact CE1-OD2 3.23Å; Y432-D443 VanDerWaalsContact CZ-OD2 3.25Å; Y432-D443 WeakPolarHBondContact OH-CB 3.37Å; Y432-D443 PolarHBondContact OH-OD2 3.46Å; G439-D443 WeakPolarHBondContact O-CB 3.47Å; G439-D443 PolarHBondContact O-N 3.28Å; V440-D443 CarbonylContact O-C 3.55Å; V440-D443 PolarHBondContact O-N 3.07Å; V440-D443 VanDerWaalsContact O-N 3.14Å; D443-V446 PolarHBondContact O-N 3.41Å; D443-L447 WeakPolarHBondContact O-CB 3.48Å; D443-L447 PolarHBondContact O-N 3.35Å; D443-F513 HydrophobicContact CB-CD2 3.91Å; D443-F513 HydrophobicContact CB-CE2 3.94Å; D443-F542 HydrophobicContact CB-CE1 4.26Å; D443-F542 HydrophobicContact CB-CZ 3.61Å; D443-F542 VanDerWaalsContact CG-CZ 3.46Å; D443-F542 WeakPolarHBondContact O-CE1 3.47Å; D443-R612 WeakPolarHBondContact OD1-CG 3.49Å; D443-R612 IonicContact OD1-CZ 3.65Å; D443-R612 IonicContact OD1-NE 3.7Å; D443-R612 PolarHBondContact OD1-NE 3.01Å; D443-R612 IonicContact OD1-NH2 3.28Å; D443-R612 IonicContact OD2-CZ 3.21Å; D443-R612 IonicContact OD2-NE 2.71Å; D443-R612 PolarHBondContact OD2-NE 2.92Å; D443-R612 IonicContact OD2-NH2 3Å; D443-R612 PolarHBondContact OD2-NH2 2.78Å
444Q88.2Confident86.7Confident5 Ų525.5 Ų25.52%0.02313%0.128CC..Hα-helixtrans-60.7-43.6165.4-75.4172.6-14.600111.9V440 V442 L447 H448 S506 P509V440-Q444 WeakPolarHBondContact O-CG 3.37Å; V440-Q444 PolarHBondContact O-N 3.3Å; V442-Q444 VanDerWaalsContact C-N 3.28Å; V442-Q444 PolarHBondContact O-N 3.32Å; Q444-L447 PolarHBondContact O-N 2.98Å; Q444-H448 WeakPolarHBondContact O-CB 3.47Å; Q444-H448 PolarHBondContact O-N 3.46Å; Q444-S506 PolarHBondContact NE2-O 2.95Å; Q444-P509 HydrophobicContact CG-CB 4.01Å; Q444-P509 HydrophobicContact CG-CG 4.27Å
445Q86.3Confident87.3Confident37 Ų3724.8 Ų24.817%0.17312%0.124CC..Hα-helixtrans-69.1-37.4176.6-63.3-57.2115.600111.9R441 V442 H448 A449 Y615 V619R441-Q445 PolarHBondContact O-N 2.83Å; V442-Q445 WeakPolarHBondContact O-CA 3.44Å; V442-Q445 WeakPolarHBondContact O-CB 3.49Å; V442-Q445 PolarHBondContact O-N 2.83Å; Q445-H448 PolarHBondContact O-N 3.49Å; Q445-A449 WeakPolarHBondContact O-CB 3.43Å; Q445-A449 PolarHBondContact O-N 2.86Å; Q445-Y615 HydrophobicContact CB-CD1 4.12Å; Q445-Y615 HydrophobicContact CB-CG 4.05Å; Q445-V619 HydrophobicContact CG-CG2 3.73Å
446V89.9Confident87.8Confident0 Ų024.8 Ų24.80%012%0.122CC..Hα-helixtrans-61.9-49.3173.5176.80000110V442 D443 H448 A449 L450 F542 I608 M611 R612 Y615V442-V446 HydrophobicContact CG1-CG2 4.34Å; V442-V446 WeakPolarHBondContact O-CG2 3.47Å; V442-V446 PolarHBondContact O-N 3.39Å; D443-V446 PolarHBondContact O-N 3.41Å; V446-H448 VanDerWaalsContact C-N 3.35Å; V446-H448 PolarHBondContact O-N 3.34Å; V446-A449 WeakPolarHBondContact O-CB 3.41Å; V446-A449 PolarHBondContact O-N 2.91Å; V446-L450 HydrophobicContact CG1-CD1 3.9Å; V446-L450 HydrophobicContact CG1-CG 4.42Å; V446-L450 WeakPolarHBondContact O-CG 3.32Å; V446-L450 PolarHBondContact O-N 3.47Å; V446-F542 HydrophobicContact CB-CE1 3.89Å; V446-F542 HydrophobicContact CB-CZ 4.12Å; V446-F542 HydrophobicContact CG1-CD1 4.4Å; V446-F542 HydrophobicContact CG1-CE1 3.65Å; V446-F542 HydrophobicContact CG1-CZ 3.89Å; V446-I608 HydrophobicContact CG1-CD1 3.89Å; V446-M611 HydrophobicContact CB-CB 4.46Å; V446-M611 HydrophobicContact CG1-CB 3.88Å; V446-M611 HydrophobicContact CG1-CE 4.11Å; V446-M611 HydrophobicContact CG1-SD 4.07Å; V446-M611 HydrophobicContact CG2-CB 3.9Å; V446-R612 HydrophobicContact CG2-CG 4.23Å; V446-Y615 HydrophobicContact CG2-CD2 4.12Å
447L91.4Very high88.3Confident1 Ų128.2 Ų28.21%0.00514%0.14CC..Hα-helixtrans-61-44.4178.2-178.568.1000111.1D443 Q444 A449 L450 V451 P509 F513 F542 A545 L546D443-L447 WeakPolarHBondContact O-CB 3.48Å; D443-L447 PolarHBondContact O-N 3.35Å; Q444-L447 PolarHBondContact O-N 2.98Å; L447-A449 VanDerWaalsContact C-N 3.28Å; L447-A449 PolarHBondContact O-N 2.94Å; L447-L450 CarbonylContact O-C 3.51Å; L447-L450 PolarHBondContact O-N 2.79Å; L447-L450 VanDerWaalsContact O-N 3.14Å; L447-V451 HydrophobicContact CD1-CG2 4.37Å; L447-V451 HydrophobicContact CG-CG2 4.27Å; L447-V451 VanDerWaalsContact O-CG2 3.31Å; L447-V451 WeakPolarHBondContact O-CG2 3.35Å; L447-V451 PolarHBondContact O-N 2.85Å; L447-P509 HydrophobicContact CD2-CB 3.89Å; L447-P509 HydrophobicContact CD2-CG 3.4Å; L447-F513 HydrophobicContact CB-CZ 4.42Å; L447-F513 HydrophobicContact CD2-CZ 4.04Å; L447-F542 HydrophobicContact CB-CD1 4.1Å; L447-F542 HydrophobicContact CB-CE1 4.01Å; L447-F542 HydrophobicContact CD1-CD1 4.04Å; L447-A545 HydrophobicContact CD1-CB 4Å; L447-A545 HydrophobicContact CD2-CB 4.18Å; L447-L546 HydrophobicContact CD1-CD2 3.94Å; L447-L546 HydrophobicContact CD1-CG 3.88Å
448H86.3Confident88.3Confident43 Ų4327.2 Ų27.220%0.19913%0.134CC..Hα-helixtrans-56.3-43.9176.2178.2-91.8000112Q444 Q445 V446 V451 I452 I505Q444-H448 WeakPolarHBondContact O-CB 3.47Å; Q444-H448 PolarHBondContact O-N 3.46Å; Q445-H448 PolarHBondContact O-N 3.49Å; V446-H448 VanDerWaalsContact C-N 3.35Å; V446-H448 PolarHBondContact O-N 3.34Å; H448-V451 PolarHBondContact O-N 2.77Å; H448-I452 WeakPolarHBondContact CE1-CD1 3.3Å; H448-I452 WeakPolarHBondContact O-CG1 3.44Å; H448-I452 PolarHBondContact O-N 3.02Å; H448-I452 VanDerWaalsContact O-N 3.13Å; H448-I505 HydrophobicContact CB-CG2 3.83Å
449A87.1Confident88.1Confident13 Ų1331.2 Ų31.211%0.10715%0.151CC..Hα-helixtrans-64.6-42.4176.300000112.1Q445 V446 L447 I452 E453 M611 Y615Q445-A449 WeakPolarHBondContact O-CB 3.43Å; Q445-A449 PolarHBondContact O-N 2.86Å; V446-A449 WeakPolarHBondContact O-CB 3.41Å; V446-A449 PolarHBondContact O-N 2.91Å; L447-A449 VanDerWaalsContact C-N 3.28Å; L447-A449 PolarHBondContact O-N 2.94Å; A449-I452 PolarHBondContact O-N 2.95Å; A449-E453 PolarHBondContact O-N 3.3Å; A449-E453 VanDerWaalsContact O-N 3.09Å; A449-M611 HydrophobicContact CB-CE 3.45Å; A449-M611 VanDerWaalsContact CB-CE 3.45Å; A449-Y615 HydrophobicContact CB-CE2 3.94Å; A449-Y615 VanDerWaalsContact CB-OH 3.27Å; A449-Y615 WeakPolarHBondContact CB-OH 3.19Å
450L91.3Very high87.5Confident0 Ų035.2 Ų35.20%018%0.179CC..Hα-helixtrans-64.7-38.8175.9-67.6167.6000112.2V446 L447 I452 E453 Y454 F542 L546 I603 L607 I608 M611V446-L450 HydrophobicContact CG1-CD1 3.9Å; V446-L450 HydrophobicContact CG1-CG 4.42Å; V446-L450 WeakPolarHBondContact O-CG 3.32Å; V446-L450 PolarHBondContact O-N 3.47Å; L447-L450 CarbonylContact O-C 3.51Å; L447-L450 PolarHBondContact O-N 2.79Å; L447-L450 VanDerWaalsContact O-N 3.14Å; L450-I452 VanDerWaalsContact C-N 3.32Å; L450-I452 PolarHBondContact O-N 2.96Å; L450-E453 PolarHBondContact O-N 2.82Å; L450-Y454 HydrophobicContact CB-CD2 4.33Å; L450-Y454 HydrophobicContact CD2-CD2 4.07Å; L450-Y454 HydrophobicContact CD2-CE2 3.66Å; L450-Y454 WeakPolarHBondContact O-CB 3.48Å; L450-Y454 WeakPolarHBondContact O-CD2 3.41Å; L450-Y454 PolarHBondContact O-N 3.49Å; L450-F542 HydrophobicContact CD1-CB 4.36Å; L450-F542 HydrophobicContact CD1-CD1 3.68Å; L450-F542 HydrophobicContact CD1-CE1 4.27Å; L450-F542 HydrophobicContact CD1-CG 4.23Å; L450-L546 HydrophobicContact CB-CD1 4.02Å; L450-L546 HydrophobicContact CB-CD2 4.06Å; L450-L546 HydrophobicContact CD1-CD1 4.37Å; L450-I603 HydrophobicContact CD1-CD1 4.17Å; L450-I603 HydrophobicContact CD2-CD1 4.14Å; L450-I603 HydrophobicContact CD2-CG1 4.45Å; L450-L607 HydrophobicContact CD2-CD2 4.48Å; L450-I608 HydrophobicContact CD1-CD1 3.76Å; L450-M611 HydrophobicContact CD2-CE 4.22Å; L450-M611 HydrophobicContact CD2-SD 3.88Å; L450-M611 HydrophobicContact CG-CE 4.08Å; L450-M611 HydrophobicContact CG-SD 4.19Å
451V89.4Confident86.7Confident0 Ų036.5 Ų36.50%019%0.186CC..Hα-helixtrans-61.3-43.5175.3170.10000110.4L447 H448 E453 I455 L458 L462 I505 L546 L549L447-V451 HydrophobicContact CD1-CG2 4.37Å; L447-V451 HydrophobicContact CG-CG2 4.27Å; L447-V451 VanDerWaalsContact O-CG2 3.31Å; L447-V451 WeakPolarHBondContact O-CG2 3.35Å; L447-V451 PolarHBondContact O-N 2.85Å; H448-V451 PolarHBondContact O-N 2.77Å; V451-E453 VanDerWaalsContact C-N 3.26Å; V451-E453 PolarHBondContact O-N 3.4Å; V451-I455 HydrophobicContact CG1-CB 4.4Å; V451-I455 HydrophobicContact CG1-CD1 4.41Å; V451-I455 CarbonylContact O-C 3.56Å; V451-I455 WeakPolarHBondContact O-CA 3.49Å; V451-I455 WeakPolarHBondContact O-CB 3.14Å; V451-I455 PolarHBondContact O-N 3.37Å; V451-L458 HydrophobicContact CG1-CB 4.15Å; V451-L458 HydrophobicContact CG1-CD1 4.17Å; V451-L462 HydrophobicContact CG1-CD1 3.44Å; V451-L462 VanDerWaalsContact CG1-CD1 3.44Å; V451-I505 HydrophobicContact CG1-CD1 4.26Å; V451-L546 HydrophobicContact CB-CD2 4.4Å; V451-L546 HydrophobicContact CG2-CD2 3.63Å; V451-L549 HydrophobicContact CG2-CD1 3.68Å
452I86Confident85.8Confident36 Ų3634.7 Ų34.719%0.18518%0.18CC..Hα-helixtrans-62.2-35.3176.8-75.1174.9000112.1H448 A449 L450 K459 Q463H448-I452 WeakPolarHBondContact CE1-CD1 3.3Å; H448-I452 WeakPolarHBondContact O-CG1 3.44Å; H448-I452 PolarHBondContact O-N 3.02Å; H448-I452 VanDerWaalsContact O-N 3.13Å; A449-I452 PolarHBondContact O-N 2.95Å; L450-I452 VanDerWaalsContact C-N 3.32Å; L450-I452 PolarHBondContact O-N 2.96Å; I452-K459 HydrophobicContact CG1-CG 4.49Å; I452-K459 HydrophobicContact CG2-CD 3.92Å; I452-K459 HydrophobicContact CG2-CG 3.97Å; I452-Q463 HydrophobicContact CD1-CG 4.12Å
453E89.1Confident84.5Confident127 Ų12740.1 Ų40.159%0.59321%0.205SC*.Hα-helixtrans-79.4-48.5-177.8-175.6168.1-175.100112.5A449 L450 V451A449-E453 PolarHBondContact O-N 3.3Å; A449-E453 VanDerWaalsContact O-N 3.09Å; L450-E453 PolarHBondContact O-N 2.82Å; V451-E453 VanDerWaalsContact C-N 3.26Å; V451-E453 PolarHBondContact O-N 3.4Å
454Y91.9Very high82.4Confident69 Ų6941.6 Ų41.627%0.27121%0.213SC..Hα-helixtrans-96-17-171.7-70.2-84.4000114.4L450 P456 F601 N602 I603L450-Y454 HydrophobicContact CB-CD2 4.33Å; L450-Y454 HydrophobicContact CD2-CD2 4.07Å; L450-Y454 HydrophobicContact CD2-CE2 3.66Å; L450-Y454 WeakPolarHBondContact O-CB 3.48Å; L450-Y454 WeakPolarHBondContact O-CD2 3.41Å; L450-Y454 PolarHBondContact O-N 3.49Å; Y454-P456 VanDerWaalsContact C-CD 3.5Å; Y454-P456 WeakPolarHBondContact O-CD 3.34Å; Y454-F601 AromaticContact CD1-CD1 3.98Å; Y454-F601 HydrophobicContact CD1-CD1 3.98Å; Y454-F601 AromaticContact CG-CD1 3.99Å; Y454-F601 HydrophobicContact CG-CD1 3.99Å; Y454-F601 HydrophobicContact CG-CE1 4.41Å; Y454-N602 PolarHBondContact OH-O 3.36Å; Y454-I603 HydrophobicContact CE2-CD1 4.26Å; Y454-I603 HydrophobicContact CE2-CG1 4.11Å
455I91.3Very high79.9Confident0 Ų045.9 Ų45.90%024%0.241CC..  trans-127.169-179.8-44.5173.9000109.2V451 E457 L458 K459 L546 L549 R550 T553V451-I455 HydrophobicContact CG1-CB 4.4Å; V451-I455 HydrophobicContact CG1-CD1 4.41Å; V451-I455 CarbonylContact O-C 3.56Å; V451-I455 WeakPolarHBondContact O-CA 3.49Å; V451-I455 WeakPolarHBondContact O-CB 3.14Å; V451-I455 PolarHBondContact O-N 3.37Å; I455-E457 PolarHBondContact O-N 3.44Å; I455-L458 HydrophobicContact CB-CD1 4.48Å; I455-L458 HydrophobicContact CD1-CD1 4.49Å; I455-L458 HydrophobicContact CG2-CB 4.17Å; I455-L458 HydrophobicContact CG2-CD1 3.86Å; I455-L458 HydrophobicContact CG2-CG 3.78Å; I455-L458 PolarHBondContact O-N 3.45Å; I455-K459 PolarHBondContact O-N 3.46Å; I455-L546 HydrophobicContact CD1-CD2 4.22Å; I455-L549 HydrophobicContact CD1-CB 3.98Å; I455-R550 HydrophobicContact CD1-CB 3.9Å; I455-R550 HydrophobicContact CG1-CB 4.26Å; I455-T553 HydrophobicContact CG2-CG2 4.46Å; I455-T553 WeakPolarHBondContact CG2-OG1 3.12Å
456P87.8Confident77.8Confident79 Ų7949.7 Ų49.751%0.51327%0.267SS..Hα-helixtrans-60-22.5-17425.3-34.9000113.6Y454 L458 K459Y454-P456 VanDerWaalsContact C-CD 3.5Å; Y454-P456 WeakPolarHBondContact O-CD 3.34Å; P456-L458 PolarHBondContact O-N 3.34Å; P456-K459 VanDerWaalsContact O-CB 3.25Å; P456-K459 WeakPolarHBondContact O-CB 3.46Å; P456-K459 PolarHBondContact O-N 3.42Å
457E86.9Confident75.3Confident109 Ų10958.5 Ų58.551%0.50931%0.308SS..Hα-helixtrans-63.8-30.3174.4-5984.1175.900112.7I455 T553I455-E457 PolarHBondContact O-N 3.44Å; E457-T553 HydrophobicContact CB-CG2 3.59Å; E457-T553 HydrophobicContact CG-CG2 4.36Å
458L85.2Confident72.5Confident3 Ų363.7 Ų63.72%0.01634%0.335CS..Hα-helixtrans-88-18.2175.6-66.5-178.1000112.2V451 I455 P456 S460 V461 L462 T553 I556V451-L458 HydrophobicContact CG1-CB 4.15Å; V451-L458 HydrophobicContact CG1-CD1 4.17Å; I455-L458 HydrophobicContact CB-CD1 4.48Å; I455-L458 HydrophobicContact CD1-CD1 4.49Å; I455-L458 HydrophobicContact CG2-CB 4.17Å; I455-L458 HydrophobicContact CG2-CD1 3.86Å; I455-L458 HydrophobicContact CG2-CG 3.78Å; I455-L458 PolarHBondContact O-N 3.45Å; P456-L458 PolarHBondContact O-N 3.34Å; L458-S460 VanDerWaalsContact C-N 3.29Å; L458-S460 PolarHBondContact O-N 3.5Å; L458-V461 WeakPolarHBondContact O-CA 3.17Å; L458-V461 WeakPolarHBondContact O-CB 3.47Å; L458-V461 PolarHBondContact O-N 3.16Å; L458-L462 HydrophobicContact CB-CD1 3.63Å; L458-L462 HydrophobicContact CB-CG 4.31Å; L458-L462 WeakPolarHBondContact O-CB 3.26Å; L458-L462 VanDerWaalsContact O-CG 3.25Å; L458-L462 WeakPolarHBondContact O-CG 3.48Å; L458-L462 PolarHBondContact O-N 2.98Å; L458-T553 HydrophobicContact CD2-CG2 3.88Å; L458-T553 HydrophobicContact CG-CG2 3.94Å; L458-I556 HydrophobicContact CD1-CD1 4.45Å; L458-I556 HydrophobicContact CD2-CB 4.19Å; L458-I556 HydrophobicContact CD2-CG2 3.91Å
459K80.9Confident70.3Confident85 Ų8563.3 Ų63.337%0.3734%0.338SS..Hα-helixtrans-53.7-43.7178.7-178.1176.8-176.1174.70112.8I452 I455 P456 V461 L462 Q463I452-K459 HydrophobicContact CG1-CG 4.49Å; I452-K459 HydrophobicContact CG2-CD 3.92Å; I452-K459 HydrophobicContact CG2-CG 3.97Å; I455-K459 PolarHBondContact O-N 3.46Å; P456-K459 VanDerWaalsContact O-CB 3.25Å; P456-K459 WeakPolarHBondContact O-CB 3.46Å; P456-K459 PolarHBondContact O-N 3.42Å; K459-V461 PolarHBondContact O-N 2.79Å; K459-L462 PolarHBondContact O-N 2.87Å; K459-Q463 HydrophobicContact CG-CG 3.95Å; K459-Q463 VanDerWaalsContact O-CB 3.28Å; K459-Q463 WeakPolarHBondContact O-CB 3.36Å; K459-Q463 VanDerWaalsContact O-CG 3.31Å; K459-Q463 WeakPolarHBondContact O-CG 3.19Å; K459-Q463 PolarHBondContact O-N 3.12Å
460S73.5Confident68Low88 Ų8864.6 Ų64.662%0.61534%0.343SS*.Hα-helixtrans-69.2-23.8179.5630000113.4L458L458-S460 VanDerWaalsContact C-N 3.29Å; L458-S460 PolarHBondContact O-N 3.5Å
461V72.8Confident65.4Low26 Ų2671.9 Ų71.916%0.15837%0.374CS..Hα-helixtrans-86.5-31-178.5-177.20000110.7L458 K459 K557 V560L458-V461 WeakPolarHBondContact O-CA 3.17Å; L458-V461 WeakPolarHBondContact O-CB 3.47Å; L458-V461 PolarHBondContact O-N 3.16Å; K459-V461 PolarHBondContact O-N 2.79Å; V461-K557 HydrophobicContact CG2-CB 4.16Å; V461-K557 HydrophobicContact CG2-CD 4.06Å; V461-K557 HydrophobicContact CG2-CG 3.71Å; V461-V560 HydrophobicContact CG1-CB 3.53Å; V461-V560 HydrophobicContact CG1-CG1 3.41Å; V461-V560 VanDerWaalsContact CG1-CG1 3.41Å; V461-V560 HydrophobicContact CG1-CG2 3.88Å
462L68.4Low63Low6 Ų672.3 Ų72.33%0.03138%0.377CS..Hα-helixtrans-102.3-17.7-172.3-60.7167.4000114.1V451 L458 K459 I464 G501 I505V451-L462 HydrophobicContact CG1-CD1 3.44Å; V451-L462 VanDerWaalsContact CG1-CD1 3.44Å; L458-L462 HydrophobicContact CB-CD1 3.63Å; L458-L462 HydrophobicContact CB-CG 4.31Å; L458-L462 WeakPolarHBondContact O-CB 3.26Å; L458-L462 VanDerWaalsContact O-CG 3.25Å; L458-L462 WeakPolarHBondContact O-CG 3.48Å; L458-L462 PolarHBondContact O-N 2.98Å; K459-L462 PolarHBondContact O-N 2.87Å; L462-I464 PolarHBondContact O-N 2.94Å; L462-G501 VanDerWaalsContact CD2-O 3.23Å; L462-G501 WeakPolarHBondContact CD2-O 3.42Å; L462-I505 HydrophobicContact CD1-CD1 3.31Å; L462-I505 HydrophobicContact CD2-CD1 3.55Å; L462-I505 HydrophobicContact CD2-CG1 4.08Å; L462-I505 HydrophobicContact CG-CD1 3.97Å
463Q59.4Low60.7Low115 Ų11571.6 Ų71.654%0.53737%0.374SS..  trans-75.7116.7180-82.9-168.3-22.800113.1I452 K459I452-Q463 HydrophobicContact CD1-CG 4.12Å; K459-Q463 HydrophobicContact CG-CG 3.95Å; K459-Q463 VanDerWaalsContact O-CB 3.28Å; K459-Q463 WeakPolarHBondContact O-CB 3.36Å; K459-Q463 VanDerWaalsContact O-CG 3.31Å; K459-Q463 WeakPolarHBondContact O-CG 3.19Å; K459-Q463 PolarHBondContact O-N 3.12Å
464I47.2Very low58.4Low32 Ų3267.1 Ų67.116%0.16436%0.355CS..  trans-113.8146.6166-57.3160.2000107.3L462 V466 S499L462-I464 PolarHBondContact O-N 2.94Å; I464-V466 PolarHBondContact O-N 3.48Å; I464-S499 VanDerWaalsContact CD1-O 3.3Å; I464-S499 WeakPolarHBondContact CD1-O 3.42Å; I464-S499 WeakPolarHBondContact CD1-OG 3.44Å; I464-S499 WeakPolarHBondContact CG1-OG 3.45Å
465P36.8Very low55.7Low95 Ų9567.6 Ų67.662%0.61737%0.365SS*.  trans-55.9130.5178.7-20.331.4000111Q467 D468P465-Q467 PolarHBondContact O-N 3.3Å; P465-D468 PolarHBondContact O-N 2.88Å
466V41.4Very low53Low117 Ų11769.6 Ų69.671%0.70938%0.379SS*.THydrogen-bonded Turntrans-53.9-8.6-170.6176.40000115I464I464-V466 PolarHBondContact O-N 3.48Å
467Q36.5Very low50.5Low185 Ų18571.8 Ų71.886%0.86438%0.383SS*.THydrogen-bonded Turntrans-86.5-20.3-179-80.4-179.6-27.400115.1P465P465-Q467 PolarHBondContact O-N 3.3Å
468D33.8Very low48Very low109 Ų10974.4 Ų74.458%0.58339%0.389SS*.THydrogen-bonded Turntrans-112.4-9.9-172.9-72.8-40.5000115.7P465 L470P465-D468 PolarHBondContact O-N 2.88Å; D468-L470 VanDerWaalsContact C-N 3.28Å; D468-L470 PolarHBondContact O-N 2.98Å
469S39.3Very low45.5Very low35 Ų3579.3 Ų79.325%0.24542%0.415CS..THydrogen-bonded Turntrans-72.7-0.2-167.7-48.70000117.1
470L39.4Very low43.1Very low41 Ų4179.9 Ų79.922%0.21542%0.421CS..THydrogen-bonded Turntrans-112.5-3-176-79.2-175.6000115.6D468 S472 I473 K618D468-L470 VanDerWaalsContact C-N 3.28Å; D468-L470 PolarHBondContact O-N 2.98Å; L470-S472 VanDerWaalsContact C-N 3.28Å; L470-I473 HydrophobicContact CD2-CB 4.49Å; L470-I473 HydrophobicContact CD2-CD1 3.63Å; L470-I473 HydrophobicContact CD2-CG1 4.2Å; L470-K618 HydrophobicContact CD1-CD 3.81Å; L470-K618 HydrophobicContact CD1-CG 3.68Å
471K37Very low40.9Very low152 Ų15281 Ų8166%0.66142%0.417SS*.SBendtrans-72.3-24.1167.8-77.1178.2179.8174.50111.8M496K471-M496 HydrophobicContact CB-CE 4.14Å; K471-M496 HydrophobicContact CB-CG 4.47Å; K471-M496 HydrophobicContact CB-SD 3.85Å
472S37.9Very low39Very low10 Ų1083.7 Ų83.77%0.0744%0.437CS..SBendtrans-89.3-26-174.636.10000116.5L470 V474 T475 M496L470-S472 VanDerWaalsContact C-N 3.28Å; S472-V474 PolarHBondContact O-N 3.25Å; S472-V474 VanDerWaalsContact O-N 3.16Å; S472-T475 PolarHBondContact O-N 3.48Å; S472-T475 PolarHBondContact O-OG1 2.82Å; S472-T475 VanDerWaalsContact O-OG1 3.13Å; S472-M496 WeakPolarHBondContact CA-SD 3.4Å; S472-M496 VanDerWaalsContact CB-SD 3.59Å; S472-M496 PolarHBondContact N-SD 3.48Å
473I38.1Very low37.2Very low20 Ų2088.6 Ų88.610%0.10346%0.461CS..THydrogen-bonded Turntrans-69.4-15.3-179-57-169.8000111.2R441 L470R441-I473 PolarHBondContact NH1-O 2.89Å; L470-I473 HydrophobicContact CD2-CB 4.49Å; L470-I473 HydrophobicContact CD2-CD1 3.63Å; L470-I473 HydrophobicContact CD2-CG1 4.2Å
474V40.4Very low35.8Very low34 Ų3486 Ų8621%0.20645%0.453CS..THydrogen-bonded Turntrans-89.7-8.9-178.2179.60000112.7S472 Y626S472-V474 PolarHBondContact O-N 3.25Å; S472-V474 VanDerWaalsContact O-N 3.16Å; V474-Y626 HydrophobicContact CB-CD2 4.48Å; V474-Y626 HydrophobicContact CG1-CD2 3.02Å; V474-Y626 HydrophobicContact CG1-CE2 3.73Å; V474-Y626 HydrophobicContact CG1-CG 3.49Å; V474-Y626 VanDerWaalsContact CG1-CG 3.49Å
475T35.4Very low34.7Very low78 Ų7887.7 Ų87.748%0.47948%0.478SS..SBendtrans-106.9-0.8178.148.80000114.5S472 E477S472-T475 PolarHBondContact O-N 3.48Å; S472-T475 PolarHBondContact O-OG1 2.82Å; S472-T475 VanDerWaalsContact O-OG1 3.13Å; T475-E477 PolarHBondContact O-N 2.93Å
476S35.5Very low34.1Very low43 Ų4385.8 Ų85.830%0.30148%0.476SS..  trans-84.462.9171.970.40000110.9
477E35.1Very low33.3Very low125 Ų12587.9 Ų87.958%0.58448%0.476SS*.  trans-106.915.2166.3-131.5169.9-148.300111.6T475 Y626T475-E477 PolarHBondContact O-N 2.93Å; E477-Y626 PolarHBondContact OE2-OH 3.34Å
478Y34.7Very low32.6Very low164 Ų16484.1 Ų84.164%0.64347%0.47SS*.SBendtrans-126.588176-79.5-83.6000111
479N31.4Very low32.1Very low105 Ų10584.7 Ų84.756%0.56148%0.478SS*.SBendtrans-173.29.4141.9-108.5-28.4000116.6E481 S482N479-E481 VanDerWaalsContact C-N 3.3Å; N479-E481 PolarHBondContact O-N 3.44Å; N479-S482 PolarHBondContact O-OG 2.86Å; N479-S482 PolarHBondContact OD1-OG 2.98Å; N479-S482 VanDerWaalsContact OD1-OG 3.08Å
480I31Very low31.2Very low98 Ų9888.1 Ų88.150%0.50350%0.501SS..THydrogen-bonded Turntrans-80.2-11.5176.1-59.6-177.9000112.7S482 L510I480-S482 VanDerWaalsContact C-N 3.31Å; I480-S482 PolarHBondContact O-N 2.93Å; I480-L510 HydrophobicContact CD1-CD2 4.16Å
481E27.7Very low30.5Very low110 Ų11094.9 Ų94.951%0.51453%0.529SS..THydrogen-bonded Turntrans-77.5-10.4171.6-68.7-171.2147.500114.4N479N479-E481 VanDerWaalsContact C-N 3.3Å; N479-E481 PolarHBondContact O-N 3.44Å
482S31.9Very low29.7Very low84 Ų8494 Ų9459%0.58753%0.532SS*.THydrogen-bonded Turntrans-107.3-7.5-176.276.40000115.2N479 I480N479-S482 PolarHBondContact O-OG 2.86Å; N479-S482 PolarHBondContact OD1-OG 2.98Å; N479-S482 VanDerWaalsContact OD1-OG 3.08Å; I480-S482 VanDerWaalsContact C-N 3.31Å; I480-S482 PolarHBondContact O-N 2.93Å
483M32Very low29.1Very low108 Ų108100.8 Ų100.853%0.53256%0.562SS.*THydrogen-bonded Turntrans-106.8-2.1171.6-70.9-172.482.900113.9
484V28.7Very low28.3Very low60 Ų60107.1 Ų107.136%0.36459%0.591SS.*THydrogen-bonded Turntrans-139.1113.8168.5-1730000106.5G486V484-G486 PolarHBondContact O-N 3.24Å
485G24Very low27.5Very low68 Ų68115.1 Ų115.170%0.70162%0.624SS**THydrogen-bonded Turntrans-48.5124.1-158.400000117
486G24.3Very low27Very low56 Ų56114.4 Ų114.458%0.57762%0.616SS**  trans78.184.4132.600000117.1V484V484-G486 PolarHBondContact O-N 3.24Å
487F26.4Very low26.4Very low161 Ų161123.8 Ų123.871%0.70665%0.646SS**  trans-140.5147.2144.3-88.6-81.7000109.5
488S21.1Very low26.2Very low105 Ų105121 Ų12173%0.73463%0.633SS**  trans-118.7135.7-178.973.60000109.6
489T22.8Very low26.2Very low122 Ų122116.1 Ų116.175%0.74862%0.623SS**  trans-161.2128.9137.135.80000111.2
490S21.3Very low26.6Very low106 Ų106114 Ų11474%0.74161%0.612SS**  trans-51.4147170.6-90.70000114.1
491F23.1Very low27.3Very low183 Ų183109.6 Ų109.680%0.80359%0.59SS**  -175.2150115.9-100.4-73.1000113.7
492N21.8Very low28.6Very low134 Ų134105.3 Ų105.372%0.71757%0.572SS**  trans-82.6150.7-169.3-63.1-47000115.2
493H24.2Very low29.9Very low153 Ų153103.8 Ų103.871%0.70856%0.556SS**  157.6108.8102.4-110.6-78.6000112.5
494Q21.9Very low31.5Very low152 Ų15299 Ų9971%0.7153%0.532SS*.  49.286.7117.6-163.9163.83.300118.1
495F24.2Very low33.2Very low202 Ų20296.7 Ų96.789%0.88652%0.518SS*.  trans-173.598.2142.2-100.6-71.8000109.5
496M24Very low35.2Very low64 Ų6494 Ų9432%0.31549%0.489SS..  trans-163.4125148.3-115.4-160.679.200114.2K471 S472 Q498K471-M496 HydrophobicContact CB-CE 4.14Å; K471-M496 HydrophobicContact CB-CG 4.47Å; K471-M496 HydrophobicContact CB-SD 3.85Å; S472-M496 WeakPolarHBondContact CA-SD 3.4Å; S472-M496 VanDerWaalsContact CB-SD 3.59Å; S472-M496 PolarHBondContact N-SD 3.48Å; M496-Q498 HydrophobicContact CE-CB 4.34Å; M496-Q498 HydrophobicContact CE-CG 4.15Å; M496-Q498 PolarHBondContact O-N 3.46Å
497Y23.3Very low37.3Very low239 Ų23995 Ų9594%0.93748%0.479SS*.  trans-69106.9156.7-84.1-91.1000107.5
498Q30.1Very low39.6Very low67 Ų6787.7 Ų87.731%0.31345%0.447SS..  trans-116.1134.9-173.6-149.3162.424.700108.2M496 E503M496-Q498 HydrophobicContact CE-CB 4.34Å; M496-Q498 HydrophobicContact CE-CG 4.15Å; M496-Q498 PolarHBondContact O-N 3.46Å; Q498-E503 VanDerWaalsContact CD-OE1 3.26Å; Q498-E503 HydrophobicContact CG-CG 4.35Å; Q498-E503 PolarHBondContact NE2-OE1 3.46Å; Q498-E503 PolarHBondContact OE1-OE1 2.77Å
499S35.7Very low42Very low61 Ų6182.8 Ų82.843%0.42741%0.413SS..  trans-101.8124.2165166.50000108.5I464 G501 S502I464-S499 VanDerWaalsContact CD1-O 3.3Å; I464-S499 WeakPolarHBondContact CD1-O 3.42Å; I464-S499 WeakPolarHBondContact CD1-OG 3.44Å; I464-S499 WeakPolarHBondContact CG1-OG 3.45Å; S499-G501 PolarHBondContact O-N 3.31Å; S499-S502 PolarHBondContact O-OG 2.95Å
500L38.9Very low44.7Very low62 Ų6278.8 Ų78.833%0.32539%0.387SS..THydrogen-bonded Turntrans-67.4-29.4-154.3-7898.2000115.6S502 N563L500-S502 VanDerWaalsContact C-N 3.25Å; L500-S502 PolarHBondContact O-N 2.9Å; L500-N563 HydrophobicContact CD2-CB 3.43Å; L500-N563 VanDerWaalsContact CD2-CB 3.43Å; L500-N563 WeakPolarHBondContact CD2-OD1 3.35Å
501G46.9Very low47.5Very low4 Ų475.2 Ų75.24%0.04136%0.362CS..Hα-helixtrans-67.2-20.8-175.200000115.2L462 S499L462-G501 VanDerWaalsContact CD2-O 3.23Å; L462-G501 WeakPolarHBondContact CD2-O 3.42Å; S499-G501 PolarHBondContact O-N 3.31Å
502S54.1Low50.7Low21 Ų2166.6 Ų66.615%0.14732%0.324CS..Hα-helixtrans-79.5-27.7-176.563.30000114.5S499 L500 L504 I505 S506S499-S502 PolarHBondContact O-OG 2.95Å; L500-S502 VanDerWaalsContact C-N 3.25Å; L500-S502 PolarHBondContact O-N 2.9Å; S502-L504 VanDerWaalsContact C-N 3.34Å; S502-L504 PolarHBondContact O-N 3.38Å; S502-I505 PolarHBondContact O-N 3.41Å; S502-S506 PolarHBondContact O-N 3.11Å; S502-S506 VanDerWaalsContact O-N 3.12Å; S502-S506 PolarHBondContact O-OG 3.25Å
503E60.4Low54.1Low51 Ų5160.2 Ų60.224%0.23829%0.29CS..Hα-helixtrans-67.8-35.8-179.1-77.7-168.4123.800112.2Q498 I505 S506 M507Q498-E503 VanDerWaalsContact CD-OE1 3.26Å; Q498-E503 HydrophobicContact CG-CG 4.35Å; Q498-E503 PolarHBondContact NE2-OE1 3.46Å; Q498-E503 PolarHBondContact OE1-OE1 2.77Å; E503-I505 VanDerWaalsContact C-N 3.34Å; E503-I505 PolarHBondContact O-N 3.48Å; E503-S506 WeakPolarHBondContact CA-OG 3.38Å; E503-S506 PolarHBondContact O-N 3.23Å; E503-S506 PolarHBondContact O-OG 3.37Å; E503-M507 HydrophobicContact CB-CE 4.16Å; E503-M507 WeakPolarHBondContact O-CB 3.37Å; E503-M507 VanDerWaalsContact O-CG 3.31Å; E503-M507 WeakPolarHBondContact O-CG 3.05Å; E503-M507 PolarHBondContact O-N 3.4Å
504L64Low57.1Low7 Ų753.7 Ų53.74%0.03726%0.26CS..Hα-helixtrans-59.6-43.5177.9-115.3162.4000112.4S502 M507 L508 V560 D565 V568S502-L504 VanDerWaalsContact C-N 3.34Å; S502-L504 PolarHBondContact O-N 3.38Å; L504-M507 PolarHBondContact O-N 3.17Å; L504-L508 HydrophobicContact CD2-CD1 3.58Å; L504-L508 HydrophobicContact CD2-CG 4.06Å; L504-L508 WeakPolarHBondContact O-CG 3.3Å; L504-L508 PolarHBondContact O-N 3.37Å; L504-L508 VanDerWaalsContact O-N 3.1Å; L504-V560 HydrophobicContact CD1-CG2 3.85Å; L504-D565 HydrophobicContact CD1-CB 3.95Å; L504-D565 VanDerWaalsContact CD1-OD1 3.29Å; L504-D565 WeakPolarHBondContact CD1-OD1 3.15Å; L504-D565 HydrophobicContact CG-CB 3.94Å; L504-V568 HydrophobicContact CD1-CB 4.16Å; L504-V568 HydrophobicContact CD1-CG1 4.34Å; L504-V568 HydrophobicContact CD1-CG2 3.98Å; L504-V568 HydrophobicContact CD2-CB 3.88Å; L504-V568 HydrophobicContact CD2-CG1 3.6Å
505I64.4Low60.4Low13 Ų1346.7 Ų46.77%0.06723%0.228CC..Hα-helixtrans-79.4-21.7178.6-65.1-174.8000112.1H448 V451 L462 S502 E503 P509H448-I505 HydrophobicContact CB-CG2 3.83Å; V451-I505 HydrophobicContact CG1-CD1 4.26Å; L462-I505 HydrophobicContact CD1-CD1 3.31Å; L462-I505 HydrophobicContact CD2-CD1 3.55Å; L462-I505 HydrophobicContact CD2-CG1 4.08Å; L462-I505 HydrophobicContact CG-CD1 3.97Å; S502-I505 PolarHBondContact O-N 3.41Å; E503-I505 VanDerWaalsContact C-N 3.34Å; E503-I505 PolarHBondContact O-N 3.48Å; I505-P509 WeakPolarHBondContact O-CD 3.48Å; I505-P509 WeakPolarHBondContact O-CG 3.12Å
506S65.5Low63.7Low12 Ų1237.1 Ų37.18%0.08419%0.186CC..Hα-helixtrans-80.1-25.417065.30000112.8Q444 S502 E503Q444-S506 PolarHBondContact NE2-O 2.95Å; S502-S506 PolarHBondContact O-N 3.11Å; S502-S506 VanDerWaalsContact O-N 3.12Å; S502-S506 PolarHBondContact O-OG 3.25Å; E503-S506 WeakPolarHBondContact CA-OG 3.38Å; E503-S506 PolarHBondContact O-N 3.23Å; E503-S506 PolarHBondContact O-OG 3.37Å
507M68.8Low67Low77 Ų7734 Ų3438%0.37917%0.171SC..Hα-helixtrans-85.9-49.8-179.7-73.6-168.7-74.300113.4E503 L504 L510E503-M507 HydrophobicContact CB-CE 4.16Å; E503-M507 WeakPolarHBondContact O-CB 3.37Å; E503-M507 VanDerWaalsContact O-CG 3.31Å; E503-M507 WeakPolarHBondContact O-CG 3.05Å; E503-M507 PolarHBondContact O-N 3.4Å; L504-M507 PolarHBondContact O-N 3.17Å; M507-L510 PolarHBondContact O-N 3.43Å
508L75Confident70.2Confident7 Ų723.3 Ų23.34%0.03713%0.13CC..Hα-helixtrans-59.7-48.9-171.8-69.9169.3000114.1L504 L510 S511 W512 L549 L569 L572L504-L508 HydrophobicContact CD2-CD1 3.58Å; L504-L508 HydrophobicContact CD2-CG 4.06Å; L504-L508 WeakPolarHBondContact O-CG 3.3Å; L504-L508 PolarHBondContact O-N 3.37Å; L504-L508 VanDerWaalsContact O-N 3.1Å; L508-L510 PolarHBondContact O-N 3.4Å; L508-S511 PolarHBondContact O-OG 3Å; L508-W512 HydrophobicContact CB-CH2 4.14Å; L508-W512 HydrophobicContact CB-CZ2 4.07Å; L508-W512 HydrophobicContact CB-CZ3 4.42Å; L508-W512 HydrophobicContact CD1-CH2 4.23Å; L508-W512 HydrophobicContact CD1-CZ2 4.45Å; L508-W512 HydrophobicContact CD2-CH2 4.42Å; L508-W512 HydrophobicContact CD2-CZ2 3.83Å; L508-W512 HydrophobicContact CG-CZ2 4.35Å; L508-W512 VanDerWaalsContact O-CG 3.32Å; L508-L549 HydrophobicContact CD1-CD2 4.28Å; L508-L569 HydrophobicContact CD2-CD1 3.52Å; L508-L572 HydrophobicContact CD1-CD1 3.64Å; L508-L572 HydrophobicContact CD2-CD1 3.92Å; L508-L572 HydrophobicContact CG-CD1 4.47Å
509P71.9Confident72.9Confident1 Ų123.5 Ų23.51%0.00613%0.133CC..Hα-helixtrans-72.3-20.7-171.4-17.634.1000112.4Q444 L447 I505 S511 W512 F513Q444-P509 HydrophobicContact CG-CB 4.01Å; Q444-P509 HydrophobicContact CG-CG 4.27Å; L447-P509 HydrophobicContact CD2-CB 3.89Å; L447-P509 HydrophobicContact CD2-CG 3.4Å; I505-P509 WeakPolarHBondContact O-CD 3.48Å; I505-P509 WeakPolarHBondContact O-CG 3.12Å; P509-S511 PolarHBondContact O-N 2.94Å; P509-W512 PolarHBondContact O-N 3.28Å; P509-F513 HydrophobicContact CB-CD1 4.33Å; P509-F513 HydrophobicContact CB-CD2 4.22Å; P509-F513 HydrophobicContact CB-CE1 4.3Å; P509-F513 HydrophobicContact CB-CE2 4.19Å; P509-F513 HydrophobicContact CB-CG 4.3Å; P509-F513 HydrophobicContact CB-CZ 4.24Å; P509-F513 WeakPolarHBondContact O-CB 3.12Å; P509-F513 VanDerWaalsContact O-CG 3.3Å; P509-F513 WeakPolarHBondContact O-CG 3.2Å; P509-F513 PolarHBondContact O-N 2.67Å
510L79.3Confident75.3Confident38 Ų3821 Ų2120%0.19912%0.115CC..Hα-helixtrans-59.4-51.2-177.9-167.465.1000110.7V437 V440 I480 M507 L508 L514V437-L510 HydrophobicContact CG2-CD1 4.26Å; V440-L510 HydrophobicContact CB-CD1 4.19Å; V440-L510 HydrophobicContact CG1-CD1 3.65Å; I480-L510 HydrophobicContact CD1-CD2 4.16Å; M507-L510 PolarHBondContact O-N 3.43Å; L508-L510 PolarHBondContact O-N 3.4Å; L510-L514 WeakPolarHBondContact O-CB 3.34Å; L510-L514 PolarHBondContact O-N 3.06Å; L510-L514 VanDerWaalsContact O-N 3.12Å
511S80Confident77.7Confident32 Ų3218.6 Ų18.622%0.22410%0.102CC..Hα-helixtrans-70.9-40.2179.961.90000112.2L508 P509 T515L508-S511 PolarHBondContact O-OG 3Å; P509-S511 PolarHBondContact O-N 2.94Å; S511-T515 PolarHBondContact O-N 3.16Å; S511-T515 PolarHBondContact O-OG1 3.49Å
512W91Very high79.6Confident1 Ų120.1 Ų20.10%0.00411%0.112CC..Hα-helixtrans-62.7-47.1-179-64.41.3000111.6L508 P509 L516 F517 T520 A545 V548 L572 F576L508-W512 HydrophobicContact CB-CH2 4.14Å; L508-W512 HydrophobicContact CB-CZ2 4.07Å; L508-W512 HydrophobicContact CB-CZ3 4.42Å; L508-W512 HydrophobicContact CD1-CH2 4.23Å; L508-W512 HydrophobicContact CD1-CZ2 4.45Å; L508-W512 HydrophobicContact CD2-CH2 4.42Å; L508-W512 HydrophobicContact CD2-CZ2 3.83Å; L508-W512 HydrophobicContact CG-CZ2 4.35Å; L508-W512 VanDerWaalsContact O-CG 3.32Å; P509-W512 PolarHBondContact O-N 3.28Å; W512-L516 CarbonylContact O-C 3.54Å; W512-L516 WeakPolarHBondContact O-CA 3.49Å; W512-L516 PolarHBondContact O-N 2.78Å; W512-F517 HydrophobicContact CB-CD1 4.02Å; W512-F517 HydrophobicContact CB-CE1 3.59Å; W512-F517 HydrophobicContact CB-CE2 4.39Å; W512-F517 HydrophobicContact CB-CZ 3.8Å; W512-F517 AromaticContact CD2-CE1 3.74Å; W512-F517 HydrophobicContact CD2-CE1 3.74Å; W512-F517 HydrophobicContact CD2-CZ 4.35Å; W512-F517 AromaticContact CE3-CE1 3.99Å; W512-F517 HydrophobicContact CE3-CE1 3.99Å; W512-F517 HydrophobicContact CE3-CZ 4.25Å; W512-F517 HydrophobicContact CG-CD1 4.05Å; W512-F517 AromaticContact CG-CE1 3.57Å; W512-F517 HydrophobicContact CG-CE1 3.57Å; W512-F517 HydrophobicContact CG-CZ 4.21Å; W512-F517 PolarHBondContact O-N 3.5Å; W512-T520 VanDerWaalsContact CD1-CG2 3.46Å; W512-A545 HydrophobicContact CE3-CB 3.89Å; W512-A545 HydrophobicContact CZ3-CB 3.93Å; W512-V548 HydrophobicContact CH2-CG1 4.38Å; W512-L572 HydrophobicContact CH2-CD1 4.04Å; W512-L572 HydrophobicContact CZ2-CD1 4.05Å; W512-F576 AromaticContact CE2-CE2 3.89Å; W512-F576 HydrophobicContact CH2-CE2 4.46Å; W512-F576 AromaticContact CZ2-CE2 3.74Å; W512-F576 HydrophobicContact CZ2-CE2 3.74Å; W512-F576 HydrophobicContact CZ2-CZ 4.26Å
513F92.3Very high81.2Confident0 Ų019.9 Ų19.90%011%0.108CC..Hα-helixtrans-81-42.9-171.9-71.511.8000110.8Y432 V440 D443 L447 P509 T515 L516 I541 F542 A545Y432-F513 HydrophobicContact CE2-CB 3.71Å; Y432-F513 VanDerWaalsContact OH-CD2 3.26Å; Y432-F513 WeakPolarHBondContact OH-CD2 3.3Å; V440-F513 HydrophobicContact CG1-CB 4.09Å; D443-F513 HydrophobicContact CB-CD2 3.91Å; D443-F513 HydrophobicContact CB-CE2 3.94Å; L447-F513 HydrophobicContact CB-CZ 4.42Å; L447-F513 HydrophobicContact CD2-CZ 4.04Å; P509-F513 HydrophobicContact CB-CD1 4.33Å; P509-F513 HydrophobicContact CB-CD2 4.22Å; P509-F513 HydrophobicContact CB-CE1 4.3Å; P509-F513 HydrophobicContact CB-CE2 4.19Å; P509-F513 HydrophobicContact CB-CG 4.3Å; P509-F513 HydrophobicContact CB-CZ 4.24Å; P509-F513 WeakPolarHBondContact O-CB 3.12Å; P509-F513 VanDerWaalsContact O-CG 3.3Å; P509-F513 WeakPolarHBondContact O-CG 3.2Å; P509-F513 PolarHBondContact O-N 2.67Å; F513-T515 VanDerWaalsContact C-N 3.32Å; F513-T515 PolarHBondContact O-N 3.08Å; F513-L516 PolarHBondContact O-N 3.23Å; F513-I541 HydrophobicContact CB-CD1 4.35Å; F513-I541 HydrophobicContact CD1-CB 4.31Å; F513-I541 HydrophobicContact CD1-CD1 4.11Å; F513-I541 HydrophobicContact CD2-CD1 4.07Å; F513-I541 HydrophobicContact CE1-CB 4.26Å; F513-I541 HydrophobicContact CE1-CD1 4.4Å; F513-I541 HydrophobicContact CE2-CD1 4.36Å; F513-I541 HydrophobicContact CG-CD1 3.94Å; F513-F542 HydrophobicContact CE2-CD1 4.16Å; F513-F542 AromaticContact CE2-CE1 3.74Å; F513-F542 HydrophobicContact CE2-CE1 3.74Å; F513-F542 HydrophobicContact CE2-CE2 4.47Å; F513-F542 AromaticContact CE2-CZ 3.94Å; F513-F542 HydrophobicContact CE2-CZ 3.94Å; F513-F542 AromaticContact CZ-CD1 3.95Å; F513-F542 HydrophobicContact CZ-CD1 3.95Å; F513-F542 HydrophobicContact CZ-CE1 4.03Å; F513-F542 HydrophobicContact CZ-CG 4.36Å; F513-F542 HydrophobicContact CZ-CZ 4.49Å; F513-A545 HydrophobicContact CE1-CB 3.99Å; F513-A545 HydrophobicContact CZ-CB 4.37Å
514L87.4Confident82.4Confident16 Ų1619 Ų198%0.08410%0.104CC..Hα-helixtrans-65.8-34-177-170.570.1000112.6S400 Y432 Y433 V437 V440 L510S400-L514 WeakPolarHBondContact OG-CD2 3.35Å; S400-L514 WeakPolarHBondContact OG-CG 3.29Å; Y432-L514 WeakPolarHBondContact O-CD1 3.47Å; Y433-L514 HydrophobicContact CD1-CD1 3.96Å; Y433-L514 HydrophobicContact CE1-CD1 3.87Å; Y433-L514 HydrophobicContact CE1-CG 4.38Å; Y433-L514 WeakPolarHBondContact CE1-O 3.27Å; Y433-L514 PolarHBondContact OH-O 3.21Å; V437-L514 HydrophobicContact CG1-CD1 4.07Å; V440-L514 HydrophobicContact CG2-CB 4.48Å; V440-L514 HydrophobicContact CG2-CD1 3.99Å; L510-L514 WeakPolarHBondContact O-CB 3.34Å; L510-L514 PolarHBondContact O-N 3.06Å; L510-L514 VanDerWaalsContact O-N 3.12Å
515T90.4Very high83.7Confident5 Ų518.7 Ų18.73%0.03110%0.102CC..THydrogen-bonded Turntrans-103.66.317969.70000114.4I403 S511 F513 F517 L518 N519I403-T515 HydrophobicContact CD1-CG2 4.19Å; S511-T515 PolarHBondContact O-N 3.16Å; S511-T515 PolarHBondContact O-OG1 3.49Å; F513-T515 VanDerWaalsContact C-N 3.32Å; F513-T515 PolarHBondContact O-N 3.08Å; T515-F517 PolarHBondContact O-N 3.2Å; T515-L518 WeakPolarHBondContact O-CB 3.47Å; T515-L518 WeakPolarHBondContact O-CD1 3.37Å; T515-L518 WeakPolarHBondContact O-CG 3.37Å; T515-L518 PolarHBondContact O-N 3.36Å; T515-N519 WeakPolarHBondContact CG2-ND2 3.26Å; T515-N519 VanDerWaalsContact OG1-CG 3.31Å; T515-N519 PolarHBondContact OG1-OD1 3.16Å
516L94Very high85Confident1 Ų118 Ų181%0.00510%0.099CC..THydrogen-bonded Turntrans52.240.8-175.4-60.4172.9000112.5V404 I424 L429 W512 F513 L518 L530 F533 I541V404-L516 HydrophobicContact CG1-CD1 4.39Å; I424-L516 HydrophobicContact CD1-CD1 4.21Å; L429-L516 HydrophobicContact CD1-CD2 3.51Å; L429-L516 HydrophobicContact CD1-CG 4.43Å; W512-L516 CarbonylContact O-C 3.54Å; W512-L516 WeakPolarHBondContact O-CA 3.49Å; W512-L516 PolarHBondContact O-N 2.78Å; F513-L516 PolarHBondContact O-N 3.23Å; L516-L518 PolarHBondContact O-N 3.29Å; L516-L518 VanDerWaalsContact O-N 3.11Å; L516-L530 HydrophobicContact CB-CD2 3.88Å; L516-L530 HydrophobicContact CD1-CD2 3.67Å; L516-L530 HydrophobicContact CG-CD2 4.41Å; L516-F533 HydrophobicContact CD1-CD1 4.28Å; L516-F533 HydrophobicContact CD1-CE1 3.97Å; L516-F533 HydrophobicContact CD1-CZ 4.4Å; L516-F533 HydrophobicContact CD2-CD1 4.49Å; L516-F533 HydrophobicContact CD2-CD2 4.24Å; L516-F533 HydrophobicContact CD2-CE1 4.24Å; L516-F533 HydrophobicContact CD2-CE2 3.97Å; L516-F533 HydrophobicContact CD2-CG 4.49Å; L516-F533 HydrophobicContact CD2-CZ 3.97Å; L516-I541 HydrophobicContact CD2-CG2 4.01Å
517F93.2Very high86.3Confident0 Ų017.6 Ų17.60%010%0.096CC..THydrogen-bonded Turntrans62.71.9-174.5-61.1-92.2000116.7W512 T515 N519 T520 M521 V529 I541 I544 F576W512-F517 HydrophobicContact CB-CD1 4.02Å; W512-F517 HydrophobicContact CB-CE1 3.59Å; W512-F517 HydrophobicContact CB-CE2 4.39Å; W512-F517 HydrophobicContact CB-CZ 3.8Å; W512-F517 AromaticContact CD2-CE1 3.74Å; W512-F517 HydrophobicContact CD2-CE1 3.74Å; W512-F517 HydrophobicContact CD2-CZ 4.35Å; W512-F517 AromaticContact CE3-CE1 3.99Å; W512-F517 HydrophobicContact CE3-CE1 3.99Å; W512-F517 HydrophobicContact CE3-CZ 4.25Å; W512-F517 HydrophobicContact CG-CD1 4.05Å; W512-F517 AromaticContact CG-CE1 3.57Å; W512-F517 HydrophobicContact CG-CE1 3.57Å; W512-F517 HydrophobicContact CG-CZ 4.21Å; W512-F517 PolarHBondContact O-N 3.5Å; T515-F517 PolarHBondContact O-N 3.2Å; F517-N519 PolarHBondContact O-N 3.46Å; F517-N519 VanDerWaalsContact O-N 3.11Å; F517-T520 VanDerWaalsContact CA-OG1 3.29Å; F517-T520 WeakPolarHBondContact CA-OG1 3.5Å; F517-T520 WeakPolarHBondContact CB-OG1 3.23Å; F517-T520 WeakPolarHBondContact CD1-OG1 3.46Å; F517-T520 PolarHBondContact O-N 3.2Å; F517-T520 PolarHBondContact O-OG1 3.18Å; F517-M521 HydrophobicContact CB-CE 3.59Å; F517-M521 HydrophobicContact CD1-CE 3.84Å; F517-M521 HydrophobicContact CG-CE 3.91Å; F517-M521 PolarHBondContact O-N 3.48Å; F517-V529 HydrophobicContact CD2-CG1 4.07Å; F517-I541 HydrophobicContact CD2-CG2 4.48Å; F517-I541 HydrophobicContact CE2-CB 4.15Å; F517-I541 HydrophobicContact CE2-CG2 4.11Å; F517-I544 HydrophobicContact CE1-CG2 4.15Å; F517-I544 HydrophobicContact CE2-CB 4.4Å; F517-I544 HydrophobicContact CE2-CG2 4.23Å; F517-I544 HydrophobicContact CZ-CB 4.26Å; F517-I544 HydrophobicContact CZ-CG2 3.84Å; F517-F576 HydrophobicContact CD1-CE1 4.27Å; F517-F576 HydrophobicContact CD1-CZ 4.19Å; F517-F576 HydrophobicContact CE1-CE1 4.33Å; F517-F576 AromaticContact CE1-CZ 3.97Å; F517-F576 HydrophobicContact CE1-CZ 3.97Å
518L90.8Very high87.5Confident14 Ų1414 Ų147%0.0738%0.078CC..THydrogen-bonded Turntrans-58.5-28-176-70.1171.4000114.2I403 V404 V407 T515 L516 A526 L530I403-L518 HydrophobicContact CG2-CB 3.86Å; I403-L518 HydrophobicContact CG2-CD1 4.16Å; V404-L518 HydrophobicContact CB-CD1 4.47Å; V404-L518 HydrophobicContact CG2-CD1 4.14Å; V407-L518 HydrophobicContact CB-CD1 4.16Å; V407-L518 HydrophobicContact CB-CD2 4.3Å; V407-L518 HydrophobicContact CG1-CD2 4.14Å; V407-L518 HydrophobicContact CG2-CD1 3.88Å; V407-L518 HydrophobicContact CG2-CD2 3.85Å; V407-L518 HydrophobicContact CG2-CG 4.4Å; T515-L518 WeakPolarHBondContact O-CB 3.47Å; T515-L518 WeakPolarHBondContact O-CD1 3.37Å; T515-L518 WeakPolarHBondContact O-CG 3.37Å; T515-L518 PolarHBondContact O-N 3.36Å; L516-L518 PolarHBondContact O-N 3.29Å; L516-L518 VanDerWaalsContact O-N 3.11Å; L518-A526 HydrophobicContact CD2-CB 3.7Å; L518-L530 HydrophobicContact CD1-CD1 4.44Å; L518-L530 HydrophobicContact CD2-CD1 3.83Å; L518-L530 HydrophobicContact CD2-CG 4.27Å
519N86.3Confident88.5Confident71 Ų7113.7 Ų13.738%0.388%0.077SC..THydrogen-bonded Turntrans-99.40.3177.974.5-3.1000114.2T515 F517T515-N519 WeakPolarHBondContact CG2-ND2 3.26Å; T515-N519 VanDerWaalsContact OG1-CG 3.31Å; T515-N519 PolarHBondContact OG1-OD1 3.16Å; F517-N519 PolarHBondContact O-N 3.46Å; F517-N519 VanDerWaalsContact O-N 3.11Å
520T87.2Confident89.7Confident8 Ų813.7 Ų13.75%0.0498%0.077CC..THydrogen-bonded Turntrans-105.4-25.1-17259.80000114.5W512 F517 F576W512-T520 VanDerWaalsContact CD1-CG2 3.46Å; F517-T520 VanDerWaalsContact CA-OG1 3.29Å; F517-T520 WeakPolarHBondContact CA-OG1 3.5Å; F517-T520 WeakPolarHBondContact CB-OG1 3.23Å; F517-T520 WeakPolarHBondContact CD1-OG1 3.46Å; F517-T520 PolarHBondContact O-N 3.2Å; F517-T520 PolarHBondContact O-OG1 3.18Å; T520-F576 WeakPolarHBondContact O-CB 3.3Å
521M88.7Confident90.5Very high11 Ų1111.9 Ų11.95%0.0547%0.067CC..SBendtrans-130.8173.7-17965.1-178.173.200110.5F517 C525 A526 V529 F576 I590F517-M521 HydrophobicContact CB-CE 3.59Å; F517-M521 HydrophobicContact CD1-CE 3.84Å; F517-M521 HydrophobicContact CG-CE 3.91Å; F517-M521 PolarHBondContact O-N 3.48Å; M521-C525 HydrophobicContact CB-CB 4.41Å; M521-C525 HydrophobicContact CG-CB 3.99Å; M521-C525 VanDerWaalsContact SD-C 3.58Å; M521-C525 HydrophobicContact SD-CB 3.52Å; M521-C525 VanDerWaalsContact SD-CB 3.52Å; M521-A526 HydrophobicContact CG-CB 3.82Å; M521-A526 HydrophobicContact SD-CB 4.34Å; M521-V529 HydrophobicContact CE-CG2 4.04Å; M521-V529 HydrophobicContact SD-CG2 3.9Å; M521-F576 HydrophobicContact CB-CB 3.96Å; M521-F576 HydrophobicContact CB-CD1 4.24Å; M521-F576 HydrophobicContact CB-CG 4.45Å; M521-F576 HydrophobicContact CE-CD1 3.62Å; M521-F576 HydrophobicContact CE-CE1 3.69Å; M521-I590 HydrophobicContact SD-CD1 4.26Å
522S87.3Confident91.3Very high36 Ų3610.4 Ų10.425%0.2526%0.057SC..  trans-56.6144174.575.60000111H524 C525 A526S522-H524 PolarHBondContact O-N 3.31Å; S522-H524 VanDerWaalsContact O-N 3.16Å; S522-C525 PolarHBondContact O-N 3.31Å; S522-C525 PolarHBondContact OG-N 3.37Å; S522-C525 PolarHBondContact OG-SG 3.33Å; S522-C525 VanDerWaalsContact OG-SG 3.32Å; S522-A526 PolarHBondContact O-N 2.77Å
523F87.2Confident91.6Very high16 Ų1610.4 Ų10.47%0.076%0.057CC..Hα-helixtrans-47.8-46.6-179.5170-104.5000112.3F272 F366 V407 L410 Y411 C525 A526 V527F272-F523 HydrophobicContact CB-CD1 3.95Å; F272-F523 HydrophobicContact CB-CE1 4.15Å; F272-F523 HydrophobicContact CD1-CB 4.47Å; F272-F523 HydrophobicContact CD1-CD1 4.25Å; F272-F523 HydrophobicContact CG-CD1 4.32Å; F366-F523 AromaticContact CE1-CD2 3.78Å; F366-F523 HydrophobicContact CE1-CD2 3.78Å; F366-F523 AromaticContact CE1-CE2 3.93Å; F366-F523 HydrophobicContact CE1-CE2 3.93Å; F366-F523 HydrophobicContact CE1-CG 4.32Å; F366-F523 HydrophobicContact CE2-CB 4.32Å; F366-F523 AromaticContact CE2-CD2 3.98Å; F366-F523 HydrophobicContact CE2-CD2 3.98Å; F366-F523 HydrophobicContact CE2-CG 4.43Å; F366-F523 HydrophobicContact CZ-CB 3.84Å; F366-F523 HydrophobicContact CZ-CD1 4.49Å; F366-F523 AromaticContact CZ-CD2 3.27Å; F366-F523 HydrophobicContact CZ-CD2 3.27Å; F366-F523 AromaticContact CZ-CE2 3.92Å; F366-F523 HydrophobicContact CZ-CE2 3.92Å; F366-F523 AromaticContact CZ-CG 3.61Å; F366-F523 HydrophobicContact CZ-CG 3.61Å; V407-F523 HydrophobicContact CG1-CE2 4.05Å; V407-F523 HydrophobicContact CG2-CE2 4.15Å; L410-F523 HydrophobicContact CD1-CE2 3.73Å; L410-F523 HydrophobicContact CD1-CZ 3.56Å; Y411-F523 HydrophobicContact CE2-CZ 4.12Å; Y411-F523 WeakPolarHBondContact OH-CZ 3.42Å; F523-C525 PolarHBondContact O-N 2.94Å; F523-A526 PolarHBondContact O-N 2.8Å; F523-V527 HydrophobicContact CD1-CG2 4.49Å; F523-V527 HydrophobicContact CD2-CG2 4.25Å; F523-V527 HydrophobicContact CE1-CG2 4.06Å; F523-V527 HydrophobicContact CE2-CG2 3.79Å; F523-V527 HydrophobicContact CZ-CG2 3.69Å; F523-V527 WeakPolarHBondContact O-CG2 3.34Å; F523-V527 PolarHBondContact O-N 2.96Å
524H85.4Confident91.8Very high33 Ų3310.4 Ų10.415%0.1536%0.057CC..Hα-helixtrans-55.4-52.9176.9-75.1-75.2000112.6F272 L274 S522 A526 V527 Y528F272-H524 VanDerWaalsContact C-NE2 3.34Å; F272-H524 WeakPolarHBondContact CA-NE2 3.47Å; F272-H524 PolarHBondContact O-CE1 3.09Å; F272-H524 PolarHBondContact O-NE2 2.92Å; L274-H524 PolarHBondContact N-CE1 2.91Å; S522-H524 PolarHBondContact O-N 3.31Å; S522-H524 VanDerWaalsContact O-N 3.16Å; H524-A526 VanDerWaalsContact C-N 3.26Å; H524-A526 PolarHBondContact O-N 3.23Å; H524-V527 PolarHBondContact O-N 3.04Å; H524-Y528 WeakPolarHBondContact O-CD2 3.19Å; H524-Y528 PolarHBondContact O-N 2.94Å
525C91.4Very high92.2Very high0 Ų012 Ų120%06%0.062CC..Hα-helixtrans-61.9-38179.7-65.50000111.6M521 S522 F523 V527 Y528 V529 L579 I590M521-C525 HydrophobicContact CB-CB 4.41Å; M521-C525 HydrophobicContact CG-CB 3.99Å; M521-C525 VanDerWaalsContact SD-C 3.58Å; M521-C525 HydrophobicContact SD-CB 3.52Å; M521-C525 VanDerWaalsContact SD-CB 3.52Å; S522-C525 PolarHBondContact O-N 3.31Å; S522-C525 PolarHBondContact OG-N 3.37Å; S522-C525 PolarHBondContact OG-SG 3.33Å; S522-C525 VanDerWaalsContact OG-SG 3.32Å; F523-C525 PolarHBondContact O-N 2.94Å; C525-V527 VanDerWaalsContact C-N 3.35Å; C525-V527 PolarHBondContact O-N 3.41Å; C525-Y528 PolarHBondContact O-N 2.95Å; C525-V529 PolarHBondContact O-N 3.27Å; C525-V529 VanDerWaalsContact O-N 3.15Å; C525-L579 PolarHBondContact SG-O 3.38Å; C525-L579 VanDerWaalsContact SG-O 3.42Å; C525-I590 HydrophobicContact CB-CB 4.21Å; C525-I590 HydrophobicContact CB-CD1 4.16Å; C525-I590 HydrophobicContact CB-CG1 4.03Å
526A92.4Very high92.2Very high0 Ų012 Ų120%06%0.062CC..Hα-helixtrans-66.3-35.4179.700000112.7L518 M521 S522 F523 H524 Y528 V529 L530L518-A526 HydrophobicContact CD2-CB 3.7Å; M521-A526 HydrophobicContact CG-CB 3.82Å; M521-A526 HydrophobicContact SD-CB 4.34Å; S522-A526 PolarHBondContact O-N 2.77Å; F523-A526 PolarHBondContact O-N 2.8Å; H524-A526 VanDerWaalsContact C-N 3.26Å; H524-A526 PolarHBondContact O-N 3.23Å; A526-Y528 VanDerWaalsContact C-N 3.3Å; A526-Y528 PolarHBondContact O-N 3.36Å; A526-V529 WeakPolarHBondContact O-CA 3.33Å; A526-V529 WeakPolarHBondContact O-CB 3.29Å; A526-V529 PolarHBondContact O-N 2.99Å; A526-V529 VanDerWaalsContact O-N 3.12Å; A526-L530 PolarHBondContact O-N 3.4Å
527V92.5Very high92.2Very high2 Ų212 Ų121%0.0126%0.063CC..Hα-helixtrans-62.6-36.81741720000111.6W323 V407 Y411 F523 H524 C525 V529 L530 D531W323-V527 HydrophobicContact CH2-CG1 4.48Å; W323-V527 HydrophobicContact CZ2-CG1 4.08Å; V407-V527 HydrophobicContact CG1-CG2 4.42Å; Y411-V527 HydrophobicContact CE2-CG1 4.22Å; Y411-V527 HydrophobicContact CE2-CG2 4.02Å; F523-V527 HydrophobicContact CD1-CG2 4.49Å; F523-V527 HydrophobicContact CD2-CG2 4.25Å; F523-V527 HydrophobicContact CE1-CG2 4.06Å; F523-V527 HydrophobicContact CE2-CG2 3.79Å; F523-V527 HydrophobicContact CZ-CG2 3.69Å; F523-V527 WeakPolarHBondContact O-CG2 3.34Å; F523-V527 PolarHBondContact O-N 2.96Å; H524-V527 PolarHBondContact O-N 3.04Å; C525-V527 VanDerWaalsContact C-N 3.35Å; C525-V527 PolarHBondContact O-N 3.41Å; V527-V529 VanDerWaalsContact C-N 3.32Å; V527-L530 WeakPolarHBondContact O-CB 3.32Å; V527-L530 PolarHBondContact O-N 2.91Å; V527-D531 PolarHBondContact O-N 3.49Å
528Y93.9Very high92.2Very high2 Ų212.2 Ų12.21%0.0087%0.065CC..Hα-helixtrans-69.9-31.4174.7-77-111.8000112.1D275 R283 N312 H524 C525 A526 L530 F532 H581D275-Y528 PolarHBondContact OD2-OH 3.3Å; R283-Y528 PolarHBondContact NH1-OH 3.49Å; N312-Y528 WeakPolarHBondContact O-CE1 3.5Å; H524-Y528 WeakPolarHBondContact O-CD2 3.19Å; H524-Y528 PolarHBondContact O-N 2.94Å; C525-Y528 PolarHBondContact O-N 2.95Å; A526-Y528 VanDerWaalsContact C-N 3.3Å; A526-Y528 PolarHBondContact O-N 3.36Å; Y528-L530 VanDerWaalsContact C-N 3.34Å; Y528-F532 PolarHBondContact O-N 3.07Å; Y528-F532 VanDerWaalsContact O-N 3.16Å; Y528-H581 AromaticContact CD1-ND1 3.95Å; Y528-H581 AromaticContact CE1-CE1 3.22Å; Y528-H581 WeakPolarHBondContact CE1-CE1 3.36Å; Y528-H581 AromaticContact CE1-ND1 3.22Å; Y528-H581 WeakPolarHBondContact CE1-ND1 3.28Å; Y528-H581 AromaticContact CZ-CE1 3.42Å; Y528-H581 VanDerWaalsContact CZ-CE1 3.42Å; Y528-H581 AromaticContact CZ-CG 3.69Å; Y528-H581 AromaticContact CZ-ND1 3.3Å; Y528-H581 VanDerWaalsContact CZ-ND1 3.3Å; Y528-H581 AromaticContact CZ-NE2 3.86Å; Y528-H581 PolarHBondContact OH-CD2 2.79Å; Y528-H581 PolarHBondContact OH-CE1 3.39Å; Y528-H581 PolarHBondContact OH-ND1 2.83Å; Y528-H581 PolarHBondContact OH-NE2 2.91Å; Y528-H581 VanDerWaalsContact OH-NE2 3.15Å
529V96.1Very high92.4Very high1 Ų113.3 Ų13.31%0.0067%0.068CC..Hα-helixtrans-63.8-42.7169.7175.60000110.2F517 M521 C525 A526 V527 F532 F533 I544 I590 L594F517-V529 HydrophobicContact CD2-CG1 4.07Å; M521-V529 HydrophobicContact CE-CG2 4.04Å; M521-V529 HydrophobicContact SD-CG2 3.9Å; C525-V529 PolarHBondContact O-N 3.27Å; C525-V529 VanDerWaalsContact O-N 3.15Å; A526-V529 WeakPolarHBondContact O-CA 3.33Å; A526-V529 WeakPolarHBondContact O-CB 3.29Å; A526-V529 PolarHBondContact O-N 2.99Å; A526-V529 VanDerWaalsContact O-N 3.12Å; V527-V529 VanDerWaalsContact C-N 3.32Å; V529-F532 PolarHBondContact O-N 2.95Å; V529-F533 VanDerWaalsContact O-CB 3.22Å; V529-F533 WeakPolarHBondContact O-CB 3.2Å; V529-F533 PolarHBondContact O-N 2.83Å; V529-I544 HydrophobicContact CB-CD1 4.37Å; V529-I544 HydrophobicContact CG1-CD1 3.65Å; V529-I544 HydrophobicContact CG2-CD1 4Å; V529-I590 HydrophobicContact CG2-CD1 4.14Å; V529-L594 HydrophobicContact CG2-CD2 4.27Å
530L96.8Very high92.8Very high1 Ų110 Ų101%0.0055%0.05CC..Hα-helixtrans-63.6-43.2175.5-70.1-177.4000112.7W323 V407 L516 L518 A526 V527 Y528 F532 F533 F534W323-L530 HydrophobicContact CH2-CB 4.45Å; W323-L530 HydrophobicContact CH2-CD1 4.02Å; W323-L530 HydrophobicContact CZ2-CB 3.98Å; W323-L530 HydrophobicContact CZ2-CD1 4.37Å; V407-L530 HydrophobicContact CG1-CD1 3.79Å; L516-L530 HydrophobicContact CB-CD2 3.88Å; L516-L530 HydrophobicContact CD1-CD2 3.67Å; L516-L530 HydrophobicContact CG-CD2 4.41Å; L518-L530 HydrophobicContact CD1-CD1 4.44Å; L518-L530 HydrophobicContact CD2-CD1 3.83Å; L518-L530 HydrophobicContact CD2-CG 4.27Å; A526-L530 PolarHBondContact O-N 3.4Å; V527-L530 WeakPolarHBondContact O-CB 3.32Å; V527-L530 PolarHBondContact O-N 2.91Å; Y528-L530 VanDerWaalsContact C-N 3.34Å; L530-F532 VanDerWaalsContact C-N 3.28Å; L530-F532 PolarHBondContact O-N 2.98Å; L530-F533 PolarHBondContact O-N 3.45Å; L530-F534 HydrophobicContact CB-CD2 4.47Å; L530-F534 HydrophobicContact CB-CE2 4.34Å; L530-F534 VanDerWaalsContact O-CD2 3.24Å; L530-F534 WeakPolarHBondContact O-CD2 3.21Å; L530-F534 PolarHBondContact O-N 3.04Å
531D96.9Very high93.3Very high0 Ų09.6 Ų9.60%05%0.047CC..Hα-helixtrans-51.6-50.2174.2-73.9-11.6000110.6V310 L314 R319 W323 V527 Y535V310-D531 WeakPolarHBondContact CG1-O 3.31Å; L314-D531 HydrophobicContact CD1-CB 4.12Å; L314-D531 WeakPolarHBondContact CD1-OD1 3.48Å; L314-D531 HydrophobicContact CG-CB 3.83Å; L314-D531 VanDerWaalsContact CG-CG 3.45Å; L314-D531 PolarHBondContact N-OD2 2.74Å; R319-D531 IonicContact NE-OD1 3.36Å; R319-D531 IonicContact NE-OD2 3.58Å; W323-D531 PolarHBondContact NE1-OD1 2.58Å; V527-D531 PolarHBondContact O-N 3.49Å; D531-Y535 PolarHBondContact O-N 3.34Å
532F96.8Very high93.6Very high1 Ų19 Ų90%0.0045%0.045CC..Hα-helixtrans-74-34.6179.9-167.8-138.2000113K307 V310 L311 Y528 V529 L530 Y535 G536 V540 L594 D598K307-F532 HydrophobicContact CG-CE2 4.24Å; V310-F532 HydrophobicContact CG1-CB 4.35Å; V310-F532 HydrophobicContact CG1-CD2 4.05Å; L311-F532 HydrophobicContact CD2-CD1 4.1Å; L311-F532 HydrophobicContact CD2-CD2 3.97Å; L311-F532 HydrophobicContact CD2-CE1 3.99Å; L311-F532 HydrophobicContact CD2-CE2 3.86Å; L311-F532 HydrophobicContact CD2-CG 4.12Å; L311-F532 HydrophobicContact CD2-CZ 3.88Å; L311-F532 HydrophobicContact CG-CD2 4.38Å; L311-F532 HydrophobicContact CG-CE2 4.19Å; Y528-F532 PolarHBondContact O-N 3.07Å; Y528-F532 VanDerWaalsContact O-N 3.16Å; V529-F532 PolarHBondContact O-N 2.95Å; L530-F532 VanDerWaalsContact C-N 3.28Å; L530-F532 PolarHBondContact O-N 2.98Å; F532-Y535 AromaticContact CD2-CD1 3.97Å; F532-Y535 HydrophobicContact CD2-CD1 3.97Å; F532-Y535 AromaticContact CE2-CD1 3.82Å; F532-Y535 HydrophobicContact CE2-CD1 3.82Å; F532-Y535 HydrophobicContact CE2-CE1 4.25Å; F532-Y535 PolarHBondContact O-N 3.12Å; F532-G536 PolarHBondContact O-N 3.42Å; F532-V540 HydrophobicContact CB-CG1 4.29Å; F532-V540 HydrophobicContact CD1-CB 4.18Å; F532-V540 HydrophobicContact CD1-CG1 3.42Å; F532-V540 VanDerWaalsContact CD1-CG1 3.42Å; F532-V540 HydrophobicContact CD1-CG2 3.7Å; F532-V540 HydrophobicContact CE1-CB 4.46Å; F532-V540 HydrophobicContact CE1-CG1 4.05Å; F532-V540 HydrophobicContact CE1-CG2 3.76Å; F532-V540 HydrophobicContact CG-CG1 4.11Å; F532-V540 HydrophobicContact CG-CG2 4.11Å; F532-V540 HydrophobicContact CZ-CG2 4.23Å; F532-L594 HydrophobicContact CD1-CD2 4.24Å; F532-D598 HydrophobicContact CE1-CB 4.29Å; F532-D598 HydrophobicContact CZ-CB 4.01Å
533F97.2Very high94.1Very high1 Ų17.4 Ų7.40%0.0043%0.033CC..Hα-helixtrans-63-45176168.2-101000112.3I424 L428 L429 L516 V529 L530 Y535 G536 G537 V540 I541I424-F533 HydrophobicContact CG1-CE1 4.17Å; L428-F533 HydrophobicContact CB-CZ 3.85Å; L428-F533 HydrophobicContact CD1-CE1 3.77Å; L428-F533 HydrophobicContact CD1-CZ 3.89Å; L428-F533 HydrophobicContact CG-CZ 4.47Å; L429-F533 HydrophobicContact CD1-CE2 4.07Å; L429-F533 HydrophobicContact CD1-CZ 3.85Å; L429-F533 HydrophobicContact CD2-CE2 4.38Å; L429-F533 HydrophobicContact CG-CE2 4.19Å; L429-F533 HydrophobicContact CG-CZ 4.02Å; L516-F533 HydrophobicContact CD1-CD1 4.28Å; L516-F533 HydrophobicContact CD1-CE1 3.97Å; L516-F533 HydrophobicContact CD1-CZ 4.4Å; L516-F533 HydrophobicContact CD2-CD1 4.49Å; L516-F533 HydrophobicContact CD2-CD2 4.24Å; L516-F533 HydrophobicContact CD2-CE1 4.24Å; L516-F533 HydrophobicContact CD2-CE2 3.97Å; L516-F533 HydrophobicContact CD2-CG 4.49Å; L516-F533 HydrophobicContact CD2-CZ 3.97Å; V529-F533 VanDerWaalsContact O-CB 3.22Å; V529-F533 WeakPolarHBondContact O-CB 3.2Å; V529-F533 PolarHBondContact O-N 2.83Å; L530-F533 PolarHBondContact O-N 3.45Å; F533-Y535 PolarHBondContact O-N 2.84Å; F533-G536 PolarHBondContact O-N 3.48Å; F533-G537 WeakPolarHBondContact CD2-O 3.35Å; F533-G537 VanDerWaalsContact O-CA 3.32Å; F533-G537 WeakPolarHBondContact O-CA 3.47Å; F533-G537 PolarHBondContact O-N 3.2Å; F533-V540 HydrophobicContact CB-CG1 4.48Å; F533-I541 HydrophobicContact CD2-CG2 4.23Å
534F96.5Very high94.5Very high0 Ų06.7 Ų6.70%03%0.03CC..Hα-helixtrans-66.9-26.1177.7-73.7-55.6000113.2W323 L326 S327 L408 L420 I424 L428 L530W323-F534 HydrophobicContact CB-CD2 3.81Å; W323-F534 HydrophobicContact CB-CE2 4.02Å; W323-F534 HydrophobicContact CB-CG 4.32Å; W323-F534 AromaticContact CD1-CD2 3.52Å; W323-F534 AromaticContact CD2-CD2 3.73Å; W323-F534 HydrophobicContact CD2-CD2 3.73Å; W323-F534 AromaticContact CD2-CE2 3.57Å; W323-F534 HydrophobicContact CD2-CE2 3.57Å; W323-F534 AromaticContact CE2-CD2 3.97Å; W323-F534 HydrophobicContact CE3-CD2 4.45Å; W323-F534 AromaticContact CE3-CE2 3.84Å; W323-F534 HydrophobicContact CE3-CE2 3.84Å; W323-F534 AromaticContact CG-CD2 3.41Å; W323-F534 HydrophobicContact CG-CD2 3.41Å; W323-F534 VanDerWaalsContact CG-CD2 3.41Å; W323-F534 AromaticContact CG-CE2 3.68Å; W323-F534 HydrophobicContact CG-CE2 3.68Å; W323-F534 HydrophobicContact CG-CG 4.29Å; W323-F534 HydrophobicContact CZ3-CE2 4.47Å; W323-F534 AromaticContact NE1-CD2 3.85Å; L326-F534 CarbonylContact C-O 3.33Å; L326-F534 HydrophobicContact CB-CB 4.45Å; S327-F534 PolarHBondContact N-O 2.78Å; L408-F534 HydrophobicContact CD2-CE2 4.15Å; L408-F534 HydrophobicContact CD2-CZ 3.82Å; L420-F534 HydrophobicContact CD2-CD1 4.33Å; L420-F534 HydrophobicContact CD2-CE1 3.81Å; L420-F534 HydrophobicContact CD2-CZ 3.96Å; I424-F534 HydrophobicContact CD1-CE1 3.97Å; I424-F534 HydrophobicContact CD1-CZ 3.91Å; I424-F534 HydrophobicContact CG1-CE1 3.94Å; I424-F534 HydrophobicContact CG1-CZ 4.4Å; L428-F534 HydrophobicContact CD1-CD1 4.11Å; L428-F534 HydrophobicContact CD1-CE1 4.33Å; L530-F534 HydrophobicContact CB-CD2 4.47Å; L530-F534 HydrophobicContact CB-CE2 4.34Å; L530-F534 VanDerWaalsContact O-CD2 3.24Å; L530-F534 WeakPolarHBondContact O-CD2 3.21Å; L530-F534 PolarHBondContact O-N 3.04Å
535Y94.5Very high95Very high49 Ų495.1 Ų5.119%0.1922%0.023CC..Hα-helixtrans-77-50.5170.5171.4-97000112.7L306 K307 V310 L326 D531 F532 F533L306-Y535 HydrophobicContact CD2-CD2 4.29Å; L306-Y535 HydrophobicContact CD2-CE2 3.91Å; L306-Y535 HydrophobicContact CG-CD2 4.33Å; L306-Y535 HydrophobicContact CG-CE2 3.98Å; K307-Y535 HydrophobicContact CB-CE1 3.92Å; K307-Y535 WeakPolarHBondContact CB-OH 2.91Å; K307-Y535 HydrophobicContact CD-CE1 4.15Å; K307-Y535 HydrophobicContact CG-CD1 4.47Å; K307-Y535 HydrophobicContact CG-CE1 3.64Å; V310-Y535 HydrophobicContact CB-CG 4.41Å; V310-Y535 HydrophobicContact CG1-CG 4.22Å; V310-Y535 HydrophobicContact CG2-CD2 4.02Å; V310-Y535 HydrophobicContact CG2-CG 4.11Å; L326-Y535 HydrophobicContact CD2-CD2 4.18Å; D531-Y535 PolarHBondContact O-N 3.34Å; F532-Y535 AromaticContact CD2-CD1 3.97Å; F532-Y535 HydrophobicContact CD2-CD1 3.97Å; F532-Y535 AromaticContact CE2-CD1 3.82Å; F532-Y535 HydrophobicContact CE2-CD1 3.82Å; F532-Y535 HydrophobicContact CE2-CE1 4.25Å; F532-Y535 PolarHBondContact O-N 3.12Å; F533-Y535 PolarHBondContact O-N 2.84Å
536G92Very high95.1Very high4 Ų45.1 Ų5.14%0.0412%0.023CC..Hα-helixtrans-92.9-16.8-166.600000115.1F532 F533 R539 N605F532-G536 PolarHBondContact O-N 3.42Å; F533-G536 PolarHBondContact O-N 3.48Å; G536-R539 WeakPolarHBondContact O-CG 3.46Å; G536-R539 PolarHBondContact O-NE 3.21Å; G536-N605 PolarHBondContact O-ND2 3.17Å
537G93.4Very high95.2Very high1 Ų15.1 Ų5.11%0.012%0.023CC..  trans73.6-158.3-173.700000113.4F533 R539 V540F533-G537 WeakPolarHBondContact CD2-O 3.35Å; F533-G537 VanDerWaalsContact O-CA 3.32Å; F533-G537 WeakPolarHBondContact O-CA 3.47Å; F533-G537 PolarHBondContact O-N 3.2Å; G537-R539 VanDerWaalsContact C-N 3.26Å; G537-R539 PolarHBondContact O-N 3.08Å; G537-R539 VanDerWaalsContact O-N 3.17Å; G537-V540 PolarHBondContact O-N 2.62Å
538A93.1Very high95.3Very high5 Ų55 Ų54%0.0412%0.022CC..THydrogen-bonded Turntrans-59.1-28.6-174.200000114.3L429 V540 I541 F542 N605L429-A538 HydrophobicContact CD2-CB 3.95Å; A538-V540 PolarHBondContact O-N 2.81Å; A538-I541 WeakPolarHBondContact O-CG1 3.46Å; A538-I541 PolarHBondContact O-N 3.15Å; A538-F542 WeakPolarHBondContact O-CD2 3.38Å; A538-N605 PolarHBondContact N-OD1 2.8Å
539R94.5Very high95.2Very high38 Ų385.3 Ų5.314%0.1432%0.024CC..Hα-helixtrans-54.4-30.917972.6-176.9-178.998-4.9113.1G536 G537 I541 F542 Q543 D598 I603 N605G536-R539 WeakPolarHBondContact O-CG 3.46Å; G536-R539 PolarHBondContact O-NE 3.21Å; G537-R539 VanDerWaalsContact C-N 3.26Å; G537-R539 PolarHBondContact O-N 3.08Å; G537-R539 VanDerWaalsContact O-N 3.17Å; R539-I541 PolarHBondContact O-N 3.07Å; R539-F542 PolarHBondContact O-N 2.94Å; R539-Q543 VanDerWaalsContact NH1-OE1 3.09Å; R539-Q543 VanDerWaalsContact O-CG 3.3Å; R539-Q543 WeakPolarHBondContact O-CG 3.44Å; R539-Q543 PolarHBondContact O-N 3.5Å; R539-D598 IonicContact CZ-OD1 2.65Å; R539-D598 IonicContact NH1-OD1 3.55Å; R539-D598 PolarHBondContact NH1-OD1 3.23Å; R539-D598 IonicContact NH2-OD1 3.58Å; R539-I603 HydrophobicContact CB-CG2 4.29Å; R539-I603 VanDerWaalsContact CD-O 3.32Å; R539-I603 WeakPolarHBondContact CD-O 3.37Å; R539-N605 WeakPolarHBondContact CB-OD1 3.3Å; R539-N605 PolarHBondContact N-OD1 3.19Å
540V96.2Very high95Very high0 Ų09.4 Ų9.40%04%0.039CC..Hα-helixtrans-62.9-43.6-174.6173.10000111.4F532 F533 G537 A538 F542 Q543 I544F532-V540 HydrophobicContact CB-CG1 4.29Å; F532-V540 HydrophobicContact CD1-CB 4.18Å; F532-V540 HydrophobicContact CD1-CG1 3.42Å; F532-V540 VanDerWaalsContact CD1-CG1 3.42Å; F532-V540 HydrophobicContact CD1-CG2 3.7Å; F532-V540 HydrophobicContact CE1-CB 4.46Å; F532-V540 HydrophobicContact CE1-CG1 4.05Å; F532-V540 HydrophobicContact CE1-CG2 3.76Å; F532-V540 HydrophobicContact CG-CG1 4.11Å; F532-V540 HydrophobicContact CG-CG2 4.11Å; F532-V540 HydrophobicContact CZ-CG2 4.23Å; F533-V540 HydrophobicContact CB-CG1 4.48Å; G537-V540 PolarHBondContact O-N 2.62Å; A538-V540 PolarHBondContact O-N 2.81Å; V540-F542 VanDerWaalsContact C-N 3.29Å; V540-F542 PolarHBondContact O-N 3.36Å; V540-Q543 PolarHBondContact O-N 2.93Å; V540-I544 HydrophobicContact CG1-CD1 3.71Å; V540-I544 HydrophobicContact CG1-CG1 4.4Å; V540-I544 VanDerWaalsContact O-CG1 3.29Å; V540-I544 WeakPolarHBondContact O-CG1 3.18Å; V540-I544 PolarHBondContact O-N 3.27Å
541I95.9Very high94.8Very high0 Ų013 Ų130%06%0.056CC..Hα-helixtrans-64.3-36.1179.454.8161.5000111.6L429 Y432 F513 L516 F517 F533 A538 R539 A545L429-I541 HydrophobicContact CD2-CD1 3.89Å; Y432-I541 HydrophobicContact CE2-CD1 4.33Å; Y432-I541 WeakPolarHBondContact OH-CD1 3.26Å; F513-I541 HydrophobicContact CB-CD1 4.35Å; F513-I541 HydrophobicContact CD1-CB 4.31Å; F513-I541 HydrophobicContact CD1-CD1 4.11Å; F513-I541 HydrophobicContact CD2-CD1 4.07Å; F513-I541 HydrophobicContact CE1-CB 4.26Å; F513-I541 HydrophobicContact CE1-CD1 4.4Å; F513-I541 HydrophobicContact CE2-CD1 4.36Å; F513-I541 HydrophobicContact CG-CD1 3.94Å; L516-I541 HydrophobicContact CD2-CG2 4.01Å; F517-I541 HydrophobicContact CD2-CG2 4.48Å; F517-I541 HydrophobicContact CE2-CB 4.15Å; F517-I541 HydrophobicContact CE2-CG2 4.11Å; F533-I541 HydrophobicContact CD2-CG2 4.23Å; A538-I541 WeakPolarHBondContact O-CG1 3.46Å; A538-I541 PolarHBondContact O-N 3.15Å; R539-I541 PolarHBondContact O-N 3.07Å; I541-A545 VanDerWaalsContact O-CB 3.32Å; I541-A545 WeakPolarHBondContact O-CB 3.47Å; I541-A545 PolarHBondContact O-N 3.27Å; I541-A545 VanDerWaalsContact O-N 3.07Å
542F96.2Very high94.5Very high0 Ų014.1 Ų14.10%06%0.061CC..Hα-helixtrans-69.7-45.1174.9-72.1-85.1000112.2D443 V446 L447 L450 F513 A538 R539 V540 I544 A545 L546 I608D443-F542 HydrophobicContact CB-CE1 4.26Å; D443-F542 HydrophobicContact CB-CZ 3.61Å; D443-F542 VanDerWaalsContact CG-CZ 3.46Å; D443-F542 WeakPolarHBondContact O-CE1 3.47Å; V446-F542 HydrophobicContact CB-CE1 3.89Å; V446-F542 HydrophobicContact CB-CZ 4.12Å; V446-F542 HydrophobicContact CG1-CD1 4.4Å; V446-F542 HydrophobicContact CG1-CE1 3.65Å; V446-F542 HydrophobicContact CG1-CZ 3.89Å; L447-F542 HydrophobicContact CB-CD1 4.1Å; L447-F542 HydrophobicContact CB-CE1 4.01Å; L447-F542 HydrophobicContact CD1-CD1 4.04Å; L450-F542 HydrophobicContact CD1-CB 4.36Å; L450-F542 HydrophobicContact CD1-CD1 3.68Å; L450-F542 HydrophobicContact CD1-CE1 4.27Å; L450-F542 HydrophobicContact CD1-CG 4.23Å; F513-F542 HydrophobicContact CE2-CD1 4.16Å; F513-F542 AromaticContact CE2-CE1 3.74Å; F513-F542 HydrophobicContact CE2-CE1 3.74Å; F513-F542 HydrophobicContact CE2-CE2 4.47Å; F513-F542 AromaticContact CE2-CZ 3.94Å; F513-F542 HydrophobicContact CE2-CZ 3.94Å; F513-F542 AromaticContact CZ-CD1 3.95Å; F513-F542 HydrophobicContact CZ-CD1 3.95Å; F513-F542 HydrophobicContact CZ-CE1 4.03Å; F513-F542 HydrophobicContact CZ-CG 4.36Å; F513-F542 HydrophobicContact CZ-CZ 4.49Å; A538-F542 WeakPolarHBondContact O-CD2 3.38Å; R539-F542 PolarHBondContact O-N 2.94Å; V540-F542 VanDerWaalsContact C-N 3.29Å; V540-F542 PolarHBondContact O-N 3.36Å; F542-I544 VanDerWaalsContact C-N 3.33Å; F542-I544 PolarHBondContact O-N 2.94Å; F542-A545 PolarHBondContact O-N 3.31Å; F542-L546 WeakPolarHBondContact O-CB 3.09Å; F542-L546 VanDerWaalsContact O-CG 3.26Å; F542-L546 WeakPolarHBondContact O-CG 3.19Å; F542-L546 PolarHBondContact O-N 3.01Å; F542-I608 HydrophobicContact CB-CD1 4.33Å; F542-I608 HydrophobicContact CD1-CD1 4.11Å; F542-I608 HydrophobicContact CD2-CD1 3.64Å; F542-I608 HydrophobicContact CD2-CG1 4.03Å; F542-I608 HydrophobicContact CD2-CG2 4.29Å; F542-I608 HydrophobicContact CE1-CD1 4.28Å; F542-I608 HydrophobicContact CE2-CD1 3.85Å; F542-I608 HydrophobicContact CE2-CG1 4.2Å; F542-I608 HydrophobicContact CE2-CG2 3.63Å; F542-I608 HydrophobicContact CG-CD1 3.77Å; F542-I608 HydrophobicContact CZ-CD1 4.14Å; F542-I608 HydrophobicContact CZ-CG2 4.11Å
543Q96.9Very high94.3Very high2 Ų215 Ų151%0.0097%0.067CC..Hα-helixtrans-60.7-43.8179.5-71.9176.9-5000111.1R539 V540 D547 A597 F601 I603R539-Q543 VanDerWaalsContact NH1-OE1 3.09Å; R539-Q543 VanDerWaalsContact O-CG 3.3Å; R539-Q543 WeakPolarHBondContact O-CG 3.44Å; R539-Q543 PolarHBondContact O-N 3.5Å; V540-Q543 PolarHBondContact O-N 2.93Å; Q543-D547 WeakPolarHBondContact O-CB 3.27Å; Q543-D547 PolarHBondContact O-N 3.13Å; Q543-A597 HydrophobicContact CB-CB 4Å; Q543-F601 HydrophobicContact CG-CB 4.16Å; Q543-F601 PolarHBondContact NE2-O 3.47Å; Q543-I603 HydrophobicContact CG-CB 4.35Å
544I96.3Very high93.9Very high1 Ų119.6 Ų19.61%0.00510%0.099CC..Hα-helixtrans-63.8-48.7176.7-66166.8000110.3F517 V529 V540 F542 L546 D547 V548 L593 L594 A597F517-I544 HydrophobicContact CE1-CG2 4.15Å; F517-I544 HydrophobicContact CE2-CB 4.4Å; F517-I544 HydrophobicContact CE2-CG2 4.23Å; F517-I544 HydrophobicContact CZ-CB 4.26Å; F517-I544 HydrophobicContact CZ-CG2 3.84Å; V529-I544 HydrophobicContact CB-CD1 4.37Å; V529-I544 HydrophobicContact CG1-CD1 3.65Å; V529-I544 HydrophobicContact CG2-CD1 4Å; V540-I544 HydrophobicContact CG1-CD1 3.71Å; V540-I544 HydrophobicContact CG1-CG1 4.4Å; V540-I544 VanDerWaalsContact O-CG1 3.29Å; V540-I544 WeakPolarHBondContact O-CG1 3.18Å; V540-I544 PolarHBondContact O-N 3.27Å; F542-I544 VanDerWaalsContact C-N 3.33Å; F542-I544 PolarHBondContact O-N 2.94Å; I544-L546 VanDerWaalsContact C-N 3.34Å; I544-L546 PolarHBondContact O-N 3.29Å; I544-D547 PolarHBondContact O-N 2.84Å; I544-V548 HydrophobicContact CG2-CG2 4.41Å; I544-V548 WeakPolarHBondContact O-CG2 3.33Å; I544-V548 PolarHBondContact O-N 3.26Å; I544-L593 HydrophobicContact CG2-CD2 4.25Å; I544-L594 HydrophobicContact CD1-CD2 3.57Å; I544-L594 HydrophobicContact CG1-CD2 3.94Å; I544-A597 HydrophobicContact CG1-CB 4.34Å
545A94.7Very high93.6Very high0 Ų022.8 Ų22.80%011%0.113CC..Hα-helixtrans-58.5-45.4179.400000112L447 W512 F513 I541 F542 V548 L549L447-A545 HydrophobicContact CD1-CB 4Å; L447-A545 HydrophobicContact CD2-CB 4.18Å; W512-A545 HydrophobicContact CE3-CB 3.89Å; W512-A545 HydrophobicContact CZ3-CB 3.93Å; F513-A545 HydrophobicContact CE1-CB 3.99Å; F513-A545 HydrophobicContact CZ-CB 4.37Å; I541-A545 VanDerWaalsContact O-CB 3.32Å; I541-A545 WeakPolarHBondContact O-CB 3.47Å; I541-A545 PolarHBondContact O-N 3.27Å; I541-A545 VanDerWaalsContact O-N 3.07Å; F542-A545 PolarHBondContact O-N 3.31Å; A545-V548 PolarHBondContact O-N 2.99Å; A545-L549 WeakPolarHBondContact O-CB 3.46Å; A545-L549 VanDerWaalsContact O-CG 3.23Å; A545-L549 WeakPolarHBondContact O-CG 3.29Å; A545-L549 PolarHBondContact O-N 3.17Å
546L94.6Very high93.3Very high0 Ų020.9 Ų20.90%011%0.106CC..Hα-helixtrans-64-42.3177.7-72.9167000112.3L447 L450 V451 I455 F542 I544 L549 R550 F601 I603L447-L546 HydrophobicContact CD1-CD2 3.94Å; L447-L546 HydrophobicContact CD1-CG 3.88Å; L450-L546 HydrophobicContact CB-CD1 4.02Å; L450-L546 HydrophobicContact CB-CD2 4.06Å; L450-L546 HydrophobicContact CD1-CD1 4.37Å; V451-L546 HydrophobicContact CB-CD2 4.4Å; V451-L546 HydrophobicContact CG2-CD2 3.63Å; I455-L546 HydrophobicContact CD1-CD2 4.22Å; F542-L546 WeakPolarHBondContact O-CB 3.09Å; F542-L546 VanDerWaalsContact O-CG 3.26Å; F542-L546 WeakPolarHBondContact O-CG 3.19Å; F542-L546 PolarHBondContact O-N 3.01Å; I544-L546 VanDerWaalsContact C-N 3.34Å; I544-L546 PolarHBondContact O-N 3.29Å; L546-L549 PolarHBondContact O-N 3.37Å; L546-R550 VanDerWaalsContact O-CB 3.27Å; L546-R550 WeakPolarHBondContact O-CB 3.47Å; L546-R550 PolarHBondContact O-N 3.49Å; L546-F601 HydrophobicContact CB-CD1 3.99Å; L546-F601 HydrophobicContact CB-CD2 4.22Å; L546-F601 HydrophobicContact CB-CE1 3.71Å; L546-F601 HydrophobicContact CB-CE2 3.99Å; L546-F601 HydrophobicContact CB-CG 4.23Å; L546-F601 HydrophobicContact CB-CZ 3.7Å; L546-F601 HydrophobicContact CD1-CD1 3.97Å; L546-F601 HydrophobicContact CD1-CE1 4.37Å; L546-F601 HydrophobicContact CD1-CG 4.31Å; L546-I603 HydrophobicContact CD1-CD1 3.19Å
547D95.2Very high93Very high0 Ų024.5 Ų24.50%012%0.121CC..Hα-helixtrans-66.3-42.5-179.8-16049.4000111.7Q543 I544 L549 R550 Q551 L593 S596 A597 F601Q543-D547 WeakPolarHBondContact O-CB 3.27Å; Q543-D547 PolarHBondContact O-N 3.13Å; I544-D547 PolarHBondContact O-N 2.84Å; D547-L549 PolarHBondContact O-N 3.35Å; D547-R550 PolarHBondContact O-N 3.31Å; D547-R550 IonicContact OD1-CZ 3.59Å; D547-R550 VanDerWaalsContact OD1-CZ 3.28Å; D547-R550 IonicContact OD1-NE 2.95Å; D547-R550 PolarHBondContact OD1-NE 3.31Å; D547-R550 IonicContact OD1-NH2 3.29Å; D547-R550 PolarHBondContact OD1-NH2 2.91Å; D547-Q551 WeakPolarHBondContact O-CB 3.46Å; D547-Q551 VanDerWaalsContact O-CG 3.29Å; D547-Q551 WeakPolarHBondContact O-CG 3.42Å; D547-Q551 PolarHBondContact O-N 3Å; D547-Q551 PolarHBondContact OD2-NE2 3.14Å; D547-L593 HydrophobicContact CB-CD1 4.18Å; D547-S596 PolarHBondContact OD1-OG 3.45Å; D547-S596 VanDerWaalsContact OD2-CB 3.25Å; D547-S596 WeakPolarHBondContact OD2-CB 3.13Å; D547-S596 PolarHBondContact OD2-OG 2.88Å; D547-A597 HydrophobicContact CB-CB 4.04Å; D547-F601 VanDerWaalsContact CA-CE2 3.5Å; D547-F601 HydrophobicContact CB-CD2 4.41Å; D547-F601 HydrophobicContact CB-CE2 3.65Å
548V93.5Very high92.6Very high0 Ų030.3 Ų30.30%015%0.146CC..Hα-helixtrans-60.9-45.4176.1172.40000111W512 I544 A545 Q551 H552 L572 Y575 F576 L593W512-V548 HydrophobicContact CH2-CG1 4.38Å; I544-V548 HydrophobicContact CG2-CG2 4.41Å; I544-V548 WeakPolarHBondContact O-CG2 3.33Å; I544-V548 PolarHBondContact O-N 3.26Å; A545-V548 PolarHBondContact O-N 2.99Å; V548-Q551 PolarHBondContact O-N 3.4Å; V548-H552 PolarHBondContact O-N 2.79Å; V548-H552 PolarHBondContact O-ND1 3.27Å; V548-L572 HydrophobicContact CG1-CD2 3.85Å; V548-Y575 HydrophobicContact CG1-CD1 4.41Å; V548-Y575 HydrophobicContact CG2-CE1 4.06Å; V548-F576 HydrophobicContact CB-CZ 4.34Å; V548-F576 HydrophobicContact CG1-CE2 4.23Å; V548-F576 HydrophobicContact CG1-CZ 3.91Å; V548-F576 HydrophobicContact CG2-CE1 3.92Å; V548-F576 HydrophobicContact CG2-CZ 3.82Å; V548-L593 HydrophobicContact CG2-CD1 3.86Å; V548-L593 HydrophobicContact CG2-CD2 4.2Å
549L91.7Very high92.2Very high8 Ų830.2 Ų30.24%0.04215%0.145CC..Hα-helixtrans-62.7-44.4176.5-70.9172.6000111.4V451 I455 L508 A545 L546 D547 Q551 H552 T553 I556V451-L549 HydrophobicContact CG2-CD1 3.68Å; I455-L549 HydrophobicContact CD1-CB 3.98Å; L508-L549 HydrophobicContact CD1-CD2 4.28Å; A545-L549 WeakPolarHBondContact O-CB 3.46Å; A545-L549 VanDerWaalsContact O-CG 3.23Å; A545-L549 WeakPolarHBondContact O-CG 3.29Å; A545-L549 PolarHBondContact O-N 3.17Å; L546-L549 PolarHBondContact O-N 3.37Å; D547-L549 PolarHBondContact O-N 3.35Å; L549-Q551 VanDerWaalsContact C-N 3.35Å; L549-Q551 PolarHBondContact O-N 2.66Å; L549-H552 CarbonylContact O-C 3.42Å; L549-H552 PolarHBondContact O-N 3.12Å; L549-H552 VanDerWaalsContact O-N 3.11Å; L549-T553 PolarHBondContact O-N 3.47Å; L549-T553 PolarHBondContact O-OG1 3.03Å; L549-I556 HydrophobicContact CD2-CD1 3.79Å
550R92.6Very high91.4Very high86 Ų8629.1 Ų29.133%0.32514%0.142SC..Hα-helixtrans-60.6-43.4179-174-173.967.3159.63.9111.8I455 L546 D547 H552 T553 S596 N600 F601I455-R550 HydrophobicContact CD1-CB 3.9Å; I455-R550 HydrophobicContact CG1-CB 4.26Å; L546-R550 VanDerWaalsContact O-CB 3.27Å; L546-R550 WeakPolarHBondContact O-CB 3.47Å; L546-R550 PolarHBondContact O-N 3.49Å; D547-R550 PolarHBondContact O-N 3.31Å; D547-R550 IonicContact OD1-CZ 3.59Å; D547-R550 VanDerWaalsContact OD1-CZ 3.28Å; D547-R550 IonicContact OD1-NE 2.95Å; D547-R550 PolarHBondContact OD1-NE 3.31Å; D547-R550 IonicContact OD1-NH2 3.29Å; D547-R550 PolarHBondContact OD1-NH2 2.91Å; R550-H552 PolarHBondContact O-N 3.38Å; R550-T553 WeakPolarHBondContact CA-OG1 3.48Å; R550-T553 WeakPolarHBondContact O-CB 3.37Å; R550-T553 PolarHBondContact O-N 3.49Å; R550-T553 PolarHBondContact O-OG1 2.96Å; R550-S596 PolarHBondContact NH2-OG 3.3Å; R550-N600 VanDerWaalsContact NH1-CB 3.32Å; R550-N600 PolarHBondContact NH1-ND2 3.37Å; R550-N600 PolarHBondContact NH1-OD1 3.05Å; R550-N600 VanDerWaalsContact NH1-OD1 3.12Å; R550-N600 VanDerWaalsContact NH2-CG 3.33Å; R550-N600 PolarHBondContact NH2-ND2 3Å; R550-F601 HydrophobicContact CB-CZ 4.21Å
551Q91.9Very high90.5Very high78 Ų7835.6 Ų35.636%0.36417%0.173SC..Hα-helixtrans-63.9-26.4178.3-72.2-178.245.900112.6D547 V548 L549 Y575D547-Q551 WeakPolarHBondContact O-CB 3.46Å; D547-Q551 VanDerWaalsContact O-CG 3.29Å; D547-Q551 WeakPolarHBondContact O-CG 3.42Å; D547-Q551 PolarHBondContact O-N 3Å; D547-Q551 PolarHBondContact OD2-NE2 3.14Å; V548-Q551 PolarHBondContact O-N 3.4Å; L549-Q551 VanDerWaalsContact C-N 3.35Å; L549-Q551 PolarHBondContact O-N 2.66Å; Q551-Y575 PolarHBondContact OE1-OH 3.04Å
552H91.9Very high89.8Confident22 Ų2241.4 Ų41.410%0.10220%0.2CC..Hα-helixtrans-108.78.2-176.9-64.286.1000114.1V548 L549 R550 S554 F555 I556 L572 Y575V548-H552 PolarHBondContact O-N 2.79Å; V548-H552 PolarHBondContact O-ND1 3.27Å; L549-H552 CarbonylContact O-C 3.42Å; L549-H552 PolarHBondContact O-N 3.12Å; L549-H552 VanDerWaalsContact O-N 3.11Å; R550-H552 PolarHBondContact O-N 3.38Å; H552-S554 VanDerWaalsContact C-N 3.27Å; H552-S554 PolarHBondContact O-N 3.07Å; H552-S554 VanDerWaalsContact O-N 3.13Å; H552-F555 PolarHBondContact O-N 2.98Å; H552-I556 HydrophobicContact CB-CD1 4.12Å; H552-I556 HydrophobicContact CB-CG1 4.37Å; H552-I556 WeakPolarHBondContact O-CG1 3.24Å; H552-I556 PolarHBondContact O-N 3.38Å; H552-L572 HydrophobicContact CB-CD2 3.9Å; H552-Y575 AromaticContact CE1-CD1 3.95Å; H552-Y575 AromaticContact CE1-CD2 3.63Å; H552-Y575 AromaticContact CE1-CG 3.54Å; H552-Y575 AromaticContact NE2-CD2 3.87Å; H552-Y575 AromaticContact NE2-CG 3.88Å
553T90.9Very high88.7Confident19 Ų1946.5 Ų46.512%0.11723%0.227CC..Hα-helixtrans-46.7-45.7-177.9-70.70000113.8I455 E457 L458 L549 R550 F555 I556 K557I455-T553 HydrophobicContact CG2-CG2 4.46Å; I455-T553 WeakPolarHBondContact CG2-OG1 3.12Å; E457-T553 HydrophobicContact CB-CG2 3.59Å; E457-T553 HydrophobicContact CG-CG2 4.36Å; L458-T553 HydrophobicContact CD2-CG2 3.88Å; L458-T553 HydrophobicContact CG-CG2 3.94Å; L549-T553 PolarHBondContact O-N 3.47Å; L549-T553 PolarHBondContact O-OG1 3.03Å; R550-T553 WeakPolarHBondContact CA-OG1 3.48Å; R550-T553 WeakPolarHBondContact O-CB 3.37Å; R550-T553 PolarHBondContact O-N 3.49Å; R550-T553 PolarHBondContact O-OG1 2.96Å; T553-F555 PolarHBondContact O-N 2.98Å; T553-I556 PolarHBondContact O-N 2.87Å; T553-K557 WeakPolarHBondContact O-CB 3.24Å; T553-K557 PolarHBondContact O-N 2.8Å
554S90Very high87.8Confident98 Ų9849.6 Ų49.669%0.68524%0.244SC*.Hα-helixtrans-65.8-37.5-177.756.30000112.8H552 K558H552-S554 VanDerWaalsContact C-N 3.27Å; H552-S554 PolarHBondContact O-N 3.07Å; H552-S554 VanDerWaalsContact O-N 3.13Å; S554-K558 PolarHBondContact O-N 2.72Å
555F90.1Very high86.6Confident67 Ų6750.6 Ų50.629%0.29425%0.249SC..Hα-helixtrans-71.8-47.3175.7-175.7-92.6000110.8H552 T553 K557 K558 S559 V568 K571H552-F555 PolarHBondContact O-N 2.98Å; T553-F555 PolarHBondContact O-N 2.98Å; F555-K557 VanDerWaalsContact C-N 3.33Å; F555-K557 PolarHBondContact O-N 3.34Å; F555-K558 PolarHBondContact O-N 3.44Å; F555-K558 VanDerWaalsContact O-N 3.16Å; F555-S559 WeakPolarHBondContact CE1-OG 3.48Å; F555-S559 PolarHBondContact O-N 3.35Å; F555-S559 PolarHBondContact O-OG 2.84Å; F555-V568 HydrophobicContact CD1-CG2 4.35Å; F555-V568 HydrophobicContact CE1-CG2 4.15Å; F555-K571 HydrophobicContact CD1-CB 4.09Å; F555-K571 HydrophobicContact CD1-CG 3.94Å; F555-K571 HydrophobicContact CE1-CB 3.64Å; F555-K571 HydrophobicContact CE1-CG 3.92Å; F555-K571 HydrophobicContact CG-CG 4.29Å; F555-K571 HydrophobicContact CZ-CB 4.05Å; F555-K571 HydrophobicContact CZ-CG 4.25Å
556I87.8Confident85.9Confident9 Ų954.6 Ų54.65%0.04628%0.277CS..Hα-helixtrans-55.9-49.6178.8-66.2167.4000110.3L458 L549 H552 T553 K558 S559 V560 V568L458-I556 HydrophobicContact CD1-CD1 4.45Å; L458-I556 HydrophobicContact CD2-CB 4.19Å; L458-I556 HydrophobicContact CD2-CG2 3.91Å; L549-I556 HydrophobicContact CD2-CD1 3.79Å; H552-I556 HydrophobicContact CB-CD1 4.12Å; H552-I556 HydrophobicContact CB-CG1 4.37Å; H552-I556 WeakPolarHBondContact O-CG1 3.24Å; H552-I556 PolarHBondContact O-N 3.38Å; T553-I556 PolarHBondContact O-N 2.87Å; I556-K558 VanDerWaalsContact C-N 3.31Å; I556-K558 PolarHBondContact O-N 3.27Å; I556-S559 PolarHBondContact O-N 2.84Å; I556-V560 HydrophobicContact CG2-CG2 4.21Å; I556-V560 WeakPolarHBondContact O-CG2 3.47Å; I556-V560 PolarHBondContact O-N 2.92Å; I556-V568 HydrophobicContact CG1-CG1 3.86Å
557K85.6Confident85.4Confident81 Ų8155.8 Ų55.835%0.35229%0.285SS..Hα-helixtrans-56-46.5178.8178.5168.1-177.9-179.80112V461 T553 F555 E561V461-K557 HydrophobicContact CG2-CB 4.16Å; V461-K557 HydrophobicContact CG2-CD 4.06Å; V461-K557 HydrophobicContact CG2-CG 3.71Å; T553-K557 WeakPolarHBondContact O-CB 3.24Å; T553-K557 PolarHBondContact O-N 2.8Å; F555-K557 VanDerWaalsContact C-N 3.33Å; F555-K557 PolarHBondContact O-N 3.34Å; K557-E561 VanDerWaalsContact CE-OE1 3.26Å; K557-E561 WeakPolarHBondContact CE-OE1 3.45Å; K557-E561 VanDerWaalsContact O-CG 3.31Å; K557-E561 WeakPolarHBondContact O-CG 3.46Å; K557-E561 PolarHBondContact O-N 2.84Å; K557-E561 VanDerWaalsContact O-N 3.1Å
558K86.1Confident84.9Confident122 Ų12255.8 Ų55.853%0.5329%0.285SS..Hα-helixtrans-64.7-42.6179.1-175.1-179.7175.9-175.90112.3S554 F555 I556 E561 Q562S554-K558 PolarHBondContact O-N 2.72Å; F555-K558 PolarHBondContact O-N 3.44Å; F555-K558 VanDerWaalsContact O-N 3.16Å; I556-K558 VanDerWaalsContact C-N 3.31Å; I556-K558 PolarHBondContact O-N 3.27Å; K558-E561 PolarHBondContact O-N 3.32Å; K558-Q562 VanDerWaalsContact O-CG 3.29Å; K558-Q562 WeakPolarHBondContact O-CG 3.48Å; K558-Q562 PolarHBondContact O-N 2.84Å
559S84.5Confident84.4Confident4 Ų458.6 Ų58.63%0.02830%0.3CS..Hα-helixtrans-68.2-39.6179.9-69.40000112.4F555 I556 Q562 N563 D564 S567F555-S559 WeakPolarHBondContact CE1-OG 3.48Å; F555-S559 PolarHBondContact O-N 3.35Å; F555-S559 PolarHBondContact O-OG 2.84Å; I556-S559 PolarHBondContact O-N 2.84Å; S559-Q562 CarbonylContact O-C 3.55Å; S559-Q562 WeakPolarHBondContact O-CA 3.26Å; S559-Q562 PolarHBondContact O-N 2.92Å; S559-N563 PolarHBondContact O-N 2.94Å; S559-N563 VanDerWaalsContact O-N 3.08Å; S559-D564 PolarHBondContact O-N 3.1Å; S559-S567 PolarHBondContact OG-OG 2.85Å
560V76.4Confident84.2Confident15 Ų1562.5 Ų62.59%0.09132%0.324CS..Hα-helixtrans-65.9-39.8176.4175.90000111.1V461 L504 I556 Q562 N563V461-V560 HydrophobicContact CG1-CB 3.53Å; V461-V560 HydrophobicContact CG1-CG1 3.41Å; V461-V560 VanDerWaalsContact CG1-CG1 3.41Å; V461-V560 HydrophobicContact CG1-CG2 3.88Å; L504-V560 HydrophobicContact CD1-CG2 3.85Å; I556-V560 HydrophobicContact CG2-CG2 4.21Å; I556-V560 WeakPolarHBondContact O-CG2 3.47Å; I556-V560 PolarHBondContact O-N 2.92Å; V560-Q562 PolarHBondContact O-N 3.36Å; V560-Q562 VanDerWaalsContact O-N 3.15Å; V560-N563 PolarHBondContact O-N 3.32Å; V560-N563 VanDerWaalsContact O-N 3.15Å
561E77.8Confident84Confident136 Ų13663 Ų6364%0.63633%0.329SS*.Hα-helixtrans-60.7-22172.7-73.7170.6-171.900112.8K557 K558K557-E561 VanDerWaalsContact CE-OE1 3.26Å; K557-E561 WeakPolarHBondContact CE-OE1 3.45Å; K557-E561 VanDerWaalsContact O-CG 3.31Å; K557-E561 WeakPolarHBondContact O-CG 3.46Å; K557-E561 PolarHBondContact O-N 2.84Å; K557-E561 VanDerWaalsContact O-N 3.1Å; K558-E561 PolarHBondContact O-N 3.32Å
562Q80.5Confident84Confident122 Ų12259.3 Ų59.357%0.5731%0.312SS*.THydrogen-bonded Turntrans-101.91.9-179.4-67.4179.2-1300113.7K558 S559 V560 D564K558-Q562 VanDerWaalsContact O-CG 3.29Å; K558-Q562 WeakPolarHBondContact O-CG 3.48Å; K558-Q562 PolarHBondContact O-N 2.84Å; S559-Q562 CarbonylContact O-C 3.55Å; S559-Q562 WeakPolarHBondContact O-CA 3.26Å; S559-Q562 PolarHBondContact O-N 2.92Å; V560-Q562 PolarHBondContact O-N 3.36Å; V560-Q562 VanDerWaalsContact O-N 3.15Å; Q562-D564 VanDerWaalsContact C-N 3.29Å; Q562-D564 PolarHBondContact O-N 3.12Å
563N73.6Confident83.8Confident106 Ų10659.9 Ų59.957%0.56732%0.315SS*.THydrogen-bonded Turntrans55.838.3-174.7-56.8-28.8000113.5L500 S559 V560L500-N563 HydrophobicContact CD2-CB 3.43Å; L500-N563 VanDerWaalsContact CD2-CB 3.43Å; L500-N563 WeakPolarHBondContact CD2-OD1 3.35Å; S559-N563 PolarHBondContact O-N 2.94Å; S559-N563 VanDerWaalsContact O-N 3.08Å; V560-N563 PolarHBondContact O-N 3.32Å; V560-N563 VanDerWaalsContact O-N 3.15Å
564D78.9Confident83.8Confident68 Ų6861 Ų6136%0.36433%0.326SS..  trans-120.573-177.8-174.22.6000112.6S559 Q562 S566 S567S559-D564 PolarHBondContact O-N 3.1Å; Q562-D564 VanDerWaalsContact C-N 3.29Å; Q562-D564 PolarHBondContact O-N 3.12Å; D564-S566 VanDerWaalsContact C-N 3.33Å; D564-S566 PolarHBondContact O-N 3.12Å; D564-S567 VanDerWaalsContact CG-CB 3.47Å; D564-S567 PolarHBondContact O-N 3.27Å; D564-S567 PolarHBondContact O-OG 2.9Å; D564-S567 WeakPolarHBondContact OD1-CB 3.44Å; D564-S567 PolarHBondContact OD1-N 2.85Å; D564-S567 VanDerWaalsContact OD2-CB 3.26Å; D564-S567 WeakPolarHBondContact OD2-CB 2.97Å; D564-S567 PolarHBondContact OD2-OG 2.82Å
565D71.3Confident83.9Confident22 Ų2257.6 Ų57.612%0.11830%0.299CS..Hα-helixtrans-69-30.7-179.6-66.5-3.6000112.8L504 S567 V568 L569L504-D565 HydrophobicContact CD1-CB 3.95Å; L504-D565 VanDerWaalsContact CD1-OD1 3.29Å; L504-D565 WeakPolarHBondContact CD1-OD1 3.15Å; L504-D565 HydrophobicContact CG-CB 3.94Å; D565-S567 VanDerWaalsContact C-N 3.29Å; D565-S567 PolarHBondContact O-N 2.93Å; D565-V568 WeakPolarHBondContact O-CB 3.26Å; D565-V568 PolarHBondContact O-N 3.17Å; D565-V568 VanDerWaalsContact O-N 3.08Å; D565-L569 PolarHBondContact O-N 3.4Å
566S78.8Confident84Confident83 Ų8354.4 Ų54.458%0.5829%0.285SS*.Hα-helixtrans-62.9-36.8179.3-173.70000111.8D564 V568 L569 T570D564-S566 VanDerWaalsContact C-N 3.33Å; D564-S566 PolarHBondContact O-N 3.12Å; S566-V568 VanDerWaalsContact C-N 3.29Å; S566-V568 PolarHBondContact O-N 2.81Å; S566-L569 PolarHBondContact O-N 2.87Å; S566-T570 WeakPolarHBondContact O-CB 3.4Å; S566-T570 PolarHBondContact O-N 3.49Å; S566-T570 PolarHBondContact O-OG1 3.45Å
567S84.1Confident84Confident25 Ų2558.7 Ų58.718%0.17531%0.308CS..Hα-helixtrans-62-35.6173.873.90000113.1S559 D564 D565 K571S559-S567 PolarHBondContact OG-OG 2.85Å; D564-S567 VanDerWaalsContact CG-CB 3.47Å; D564-S567 PolarHBondContact O-N 3.27Å; D564-S567 PolarHBondContact O-OG 2.9Å; D564-S567 WeakPolarHBondContact OD1-CB 3.44Å; D564-S567 PolarHBondContact OD1-N 2.85Å; D564-S567 VanDerWaalsContact OD2-CB 3.26Å; D564-S567 WeakPolarHBondContact OD2-CB 2.97Å; D564-S567 PolarHBondContact OD2-OG 2.82Å; D565-S567 VanDerWaalsContact C-N 3.29Å; D565-S567 PolarHBondContact O-N 2.93Å; S567-K571 VanDerWaalsContact O-CB 3.28Å; S567-K571 WeakPolarHBondContact O-CB 3.41Å; S567-K571 PolarHBondContact O-N 3.4Å
568V84.5Confident84.2Confident1 Ų160 Ų601%0.00631%0.313CS..Hα-helixtrans-66.8-50178.5178.60000110.1L504 F555 I556 D565 S566 T570 K571 L572L504-V568 HydrophobicContact CD1-CB 4.16Å; L504-V568 HydrophobicContact CD1-CG1 4.34Å; L504-V568 HydrophobicContact CD1-CG2 3.98Å; L504-V568 HydrophobicContact CD2-CB 3.88Å; L504-V568 HydrophobicContact CD2-CG1 3.6Å; F555-V568 HydrophobicContact CD1-CG2 4.35Å; F555-V568 HydrophobicContact CE1-CG2 4.15Å; I556-V568 HydrophobicContact CG1-CG1 3.86Å; D565-V568 WeakPolarHBondContact O-CB 3.26Å; D565-V568 PolarHBondContact O-N 3.17Å; D565-V568 VanDerWaalsContact O-N 3.08Å; S566-V568 VanDerWaalsContact C-N 3.29Å; S566-V568 PolarHBondContact O-N 2.81Å; V568-T570 VanDerWaalsContact C-N 3.3Å; V568-T570 PolarHBondContact O-N 3.32Å; V568-K571 PolarHBondContact O-N 3.46Å; V568-K571 VanDerWaalsContact O-N 3.15Å; V568-L572 HydrophobicContact CG1-CD1 3.91Å; V568-L572 HydrophobicContact CG1-CG 4.28Å; V568-L572 WeakPolarHBondContact O-CG 3Å; V568-L572 PolarHBondContact O-N 3.21Å
569L83.1Confident84.4Confident59 Ų5954.1 Ų54.131%0.30929%0.288SS..Hα-helixtrans-57.6-45.9177-178.664.3000111.3L508 D565 S566 K571 L572 N573L508-L569 HydrophobicContact CD2-CD1 3.52Å; D565-L569 PolarHBondContact O-N 3.4Å; S566-L569 PolarHBondContact O-N 2.87Å; L569-K571 VanDerWaalsContact C-N 3.33Å; L569-K571 PolarHBondContact O-N 3.27Å; L569-L572 PolarHBondContact O-N 3.08Å; L569-N573 WeakPolarHBondContact O-CB 3.37Å; L569-N573 VanDerWaalsContact O-CG 3.29Å; L569-N573 PolarHBondContact O-N 2.71Å; L569-N573 PolarHBondContact O-ND2 2.91Å
570T87.5Confident84.4Confident89 Ų8959.8 Ų59.855%0.54631%0.309SS..Hα-helixtrans-60.3-43.1177.7-560000111.5S566 V568 A574S566-T570 WeakPolarHBondContact O-CB 3.4Å; S566-T570 PolarHBondContact O-N 3.49Å; S566-T570 PolarHBondContact O-OG1 3.45Å; V568-T570 VanDerWaalsContact C-N 3.3Å; V568-T570 PolarHBondContact O-N 3.32Å; T570-A574 VanDerWaalsContact O-CB 3.29Å; T570-A574 WeakPolarHBondContact O-CB 3.48Å; T570-A574 PolarHBondContact O-N 3Å
571K90Very high84.3Confident97 Ų9759.8 Ų59.842%0.42231%0.308SS..Hα-helixtrans-65.9-43.8179.6-177.263.8176.6-175.90112.2F555 S567 V568 L569 A574 Y575F555-K571 HydrophobicContact CD1-CB 4.09Å; F555-K571 HydrophobicContact CD1-CG 3.94Å; F555-K571 HydrophobicContact CE1-CB 3.64Å; F555-K571 HydrophobicContact CE1-CG 3.92Å; F555-K571 HydrophobicContact CG-CG 4.29Å; F555-K571 HydrophobicContact CZ-CB 4.05Å; F555-K571 HydrophobicContact CZ-CG 4.25Å; S567-K571 VanDerWaalsContact O-CB 3.28Å; S567-K571 WeakPolarHBondContact O-CB 3.41Å; S567-K571 PolarHBondContact O-N 3.4Å; V568-K571 PolarHBondContact O-N 3.46Å; V568-K571 VanDerWaalsContact O-N 3.15Å; L569-K571 VanDerWaalsContact C-N 3.33Å; L569-K571 PolarHBondContact O-N 3.27Å; K571-A574 PolarHBondContact O-N 3.21Å; K571-Y575 PolarHBondContact O-N 2.92Å
572L90.7Very high83.8Confident1 Ų158.3 Ų58.31%0.00530%0.301CS..Hα-helixtrans-67.9-43.8179.3-66.2178.7000111.4L508 W512 V548 H552 V568 L569 A574 Y575 F576L508-L572 HydrophobicContact CD1-CD1 3.64Å; L508-L572 HydrophobicContact CD2-CD1 3.92Å; L508-L572 HydrophobicContact CG-CD1 4.47Å; W512-L572 HydrophobicContact CH2-CD1 4.04Å; W512-L572 HydrophobicContact CZ2-CD1 4.05Å; V548-L572 HydrophobicContact CG1-CD2 3.85Å; H552-L572 HydrophobicContact CB-CD2 3.9Å; V568-L572 HydrophobicContact CG1-CD1 3.91Å; V568-L572 HydrophobicContact CG1-CG 4.28Å; V568-L572 WeakPolarHBondContact O-CG 3Å; V568-L572 PolarHBondContact O-N 3.21Å; L569-L572 PolarHBondContact O-N 3.08Å; L572-A574 VanDerWaalsContact C-N 3.29Å; L572-A574 PolarHBondContact O-N 3.28Å; L572-Y575 WeakPolarHBondContact O-CB 3.29Å; L572-Y575 PolarHBondContact O-N 2.95Å; L572-F576 WeakPolarHBondContact O-CD2 3.49Å; L572-F576 PolarHBondContact O-N 3.49Å
573N88.7Confident82.9Confident33 Ų3356.1 Ų56.118%0.17629%0.293CS..Hα-helixtrans-61.1-39.7173.7-71.9-18.6000111.5L569 Y575 F576 N577L569-N573 WeakPolarHBondContact O-CB 3.37Å; L569-N573 VanDerWaalsContact O-CG 3.29Å; L569-N573 PolarHBondContact O-N 2.71Å; L569-N573 PolarHBondContact O-ND2 2.91Å; N573-Y575 VanDerWaalsContact C-N 3.3Å; N573-Y575 PolarHBondContact O-N 2.65Å; N573-F576 PolarHBondContact O-N 3.03Å; N573-N577 WeakPolarHBondContact O-CB 3.48Å; N573-N577 VanDerWaalsContact O-CG 3.29Å; N573-N577 PolarHBondContact O-N 2.9Å; N573-N577 PolarHBondContact O-ND2 3.09Å
574A90.8Very high82.6Confident43 Ų4355.3 Ų55.336%0.35529%0.286SS..Hα-helixtrans-64.4-33.1174.200000112.9T570 K571 L572 K578T570-A574 VanDerWaalsContact O-CB 3.29Å; T570-A574 WeakPolarHBondContact O-CB 3.48Å; T570-A574 PolarHBondContact O-N 3Å; K571-A574 PolarHBondContact O-N 3.21Å; L572-A574 VanDerWaalsContact C-N 3.29Å; L572-A574 PolarHBondContact O-N 3.28Å; A574-K578 VanDerWaalsContact O-CG 3.3Å; A574-K578 WeakPolarHBondContact O-CG 3.41Å; A574-K578 PolarHBondContact O-N 3.09Å
575Y92.4Very high81.8Confident27 Ų2758.9 Ų58.911%0.10631%0.31CS..Hα-helixtrans-65.8-51.3172.6171.1-98.6000111.1V548 Q551 H552 K571 L572 N573 N577 K578 L579 L593V548-Y575 HydrophobicContact CG1-CD1 4.41Å; V548-Y575 HydrophobicContact CG2-CE1 4.06Å; Q551-Y575 PolarHBondContact OE1-OH 3.04Å; H552-Y575 AromaticContact CE1-CD1 3.95Å; H552-Y575 AromaticContact CE1-CD2 3.63Å; H552-Y575 AromaticContact CE1-CG 3.54Å; H552-Y575 AromaticContact NE2-CD2 3.87Å; H552-Y575 AromaticContact NE2-CG 3.88Å; K571-Y575 PolarHBondContact O-N 2.92Å; L572-Y575 WeakPolarHBondContact O-CB 3.29Å; L572-Y575 PolarHBondContact O-N 2.95Å; N573-Y575 VanDerWaalsContact C-N 3.3Å; N573-Y575 PolarHBondContact O-N 2.65Å; Y575-N577 VanDerWaalsContact C-N 3.29Å; Y575-N577 PolarHBondContact O-N 3.5Å; Y575-K578 WeakPolarHBondContact O-CB 3.39Å; Y575-K578 PolarHBondContact O-N 2.95Å; Y575-L579 HydrophobicContact CE1-CD1 4.1Å; Y575-L579 HydrophobicContact CE1-CD2 4.2Å; Y575-L579 HydrophobicContact CE1-CG 4.36Å; Y575-L579 HydrophobicContact CE2-CD2 4.35Å; Y575-L579 PolarHBondContact O-N 3.39Å; Y575-L593 HydrophobicContact CE1-CD2 4.47Å
576F91.5Very high81.7Confident0 Ų059.3 Ų59.30%032%0.315CS..Hα-helixtrans-59-38.9178.4-74.3-62000113W512 F517 T520 M521 V548 L572 N573 K578 L579W512-F576 AromaticContact CE2-CE2 3.89Å; W512-F576 HydrophobicContact CH2-CE2 4.46Å; W512-F576 AromaticContact CZ2-CE2 3.74Å; W512-F576 HydrophobicContact CZ2-CE2 3.74Å; W512-F576 HydrophobicContact CZ2-CZ 4.26Å; F517-F576 HydrophobicContact CD1-CE1 4.27Å; F517-F576 HydrophobicContact CD1-CZ 4.19Å; F517-F576 HydrophobicContact CE1-CE1 4.33Å; F517-F576 AromaticContact CE1-CZ 3.97Å; F517-F576 HydrophobicContact CE1-CZ 3.97Å; T520-F576 WeakPolarHBondContact O-CB 3.3Å; M521-F576 HydrophobicContact CB-CB 3.96Å; M521-F576 HydrophobicContact CB-CD1 4.24Å; M521-F576 HydrophobicContact CB-CG 4.45Å; M521-F576 HydrophobicContact CE-CD1 3.62Å; M521-F576 HydrophobicContact CE-CE1 3.69Å; V548-F576 HydrophobicContact CB-CZ 4.34Å; V548-F576 HydrophobicContact CG1-CE2 4.23Å; V548-F576 HydrophobicContact CG1-CZ 3.91Å; V548-F576 HydrophobicContact CG2-CE1 3.92Å; V548-F576 HydrophobicContact CG2-CZ 3.82Å; L572-F576 WeakPolarHBondContact O-CD2 3.49Å; L572-F576 PolarHBondContact O-N 3.49Å; N573-F576 PolarHBondContact O-N 3.03Å; F576-K578 PolarHBondContact O-N 2.71Å; F576-L579 HydrophobicContact CD1-CD1 3.92Å; F576-L579 PolarHBondContact O-N 3.33Å
577N87.6Confident81.2Confident98 Ų9862.2 Ų62.252%0.52432%0.324SS..Hα-helixtrans-66.5-20.9177.3-76.5-26.1000114.1N573 Y575 R580N573-N577 WeakPolarHBondContact O-CB 3.48Å; N573-N577 VanDerWaalsContact O-CG 3.29Å; N573-N577 PolarHBondContact O-N 2.9Å; N573-N577 PolarHBondContact O-ND2 3.09Å; Y575-N577 VanDerWaalsContact C-N 3.29Å; Y575-N577 PolarHBondContact O-N 3.5Å; N577-R580 PolarHBondContact O-NH1 3.06Å; N577-R580 PolarHBondContact O-NH2 3.46Å
578K89.4Confident81Confident108 Ų10865 Ų6547%0.4733%0.334SS..Hα-helixtrans-87.2-19.3176.9-73.8173.8170.7-154.90113.4A574 Y575 F576 R580 E588A574-K578 VanDerWaalsContact O-CG 3.3Å; A574-K578 WeakPolarHBondContact O-CG 3.41Å; A574-K578 PolarHBondContact O-N 3.09Å; Y575-K578 WeakPolarHBondContact O-CB 3.39Å; Y575-K578 PolarHBondContact O-N 2.95Å; F576-K578 PolarHBondContact O-N 2.71Å; K578-R580 PolarHBondContact O-N 3.42Å; K578-R580 PolarHBondContact O-NH1 3.2Å; K578-E588 IonicContact NZ-OE1 3.49Å
579L90.4Very high81.3Confident0 Ų065 Ų650%033%0.334CS..  trans-59.5137-178.1-67.6174.8000111.3C525 Y575 F576 E588 I590 L593C525-L579 PolarHBondContact SG-O 3.38Å; C525-L579 VanDerWaalsContact SG-O 3.42Å; Y575-L579 HydrophobicContact CE1-CD1 4.1Å; Y575-L579 HydrophobicContact CE1-CD2 4.2Å; Y575-L579 HydrophobicContact CE1-CG 4.36Å; Y575-L579 HydrophobicContact CE2-CD2 4.35Å; Y575-L579 PolarHBondContact O-N 3.39Å; F576-L579 HydrophobicContact CD1-CD1 3.92Å; F576-L579 PolarHBondContact O-N 3.33Å; L579-E588 CarbonylContact C-O 3.59Å; L579-E588 VanDerWaalsContact CA-O 3.26Å; L579-E588 WeakPolarHBondContact CA-O 3.15Å; L579-I590 HydrophobicContact CD1-CD1 4.38Å; L579-L593 HydrophobicContact CD1-CD2 3.74Å
580R84.8Confident81.7Confident122 Ų12262.1 Ų62.146%0.4632%0.319SS..BIsolated β-bridgetrans-133.5158.5176.7-61.3-63.9178.1-95.50.4110.3N577 K578 E588 S589 I590N577-R580 PolarHBondContact O-NH1 3.06Å; N577-R580 PolarHBondContact O-NH2 3.46Å; K578-R580 PolarHBondContact O-N 3.42Å; K578-R580 PolarHBondContact O-NH1 3.2Å; R580-E588 PolarHBondContact N-O 2.91Å; R580-S589 VanDerWaalsContact O-CA 3.3Å; R580-S589 WeakPolarHBondContact O-CA 3.38Å; R580-I590 PolarHBondContact O-N 3Å
581H74.3Confident81.9Confident15 Ų1560 Ų607%0.06930%0.301CS..SBendtrans-78.7-49.5175176.361.3000112.6D275 R283 Y528 D583 I590D275-H581 IonicContact OD1-CD2 2.86Å; D275-H581 PolarHBondContact OD1-CD2 2.85Å; D275-H581 IonicContact OD1-CG 3.83Å; D275-H581 IonicContact OD2-CD2 3.46Å; R283-H581 PolarHBondContact NH1-NE2 3.22Å; Y528-H581 AromaticContact CD1-ND1 3.95Å; Y528-H581 AromaticContact CE1-CE1 3.22Å; Y528-H581 WeakPolarHBondContact CE1-CE1 3.36Å; Y528-H581 AromaticContact CE1-ND1 3.22Å; Y528-H581 WeakPolarHBondContact CE1-ND1 3.28Å; Y528-H581 AromaticContact CZ-CE1 3.42Å; Y528-H581 VanDerWaalsContact CZ-CE1 3.42Å; Y528-H581 AromaticContact CZ-CG 3.69Å; Y528-H581 AromaticContact CZ-ND1 3.3Å; Y528-H581 VanDerWaalsContact CZ-ND1 3.3Å; Y528-H581 AromaticContact CZ-NE2 3.86Å; Y528-H581 PolarHBondContact OH-CD2 2.79Å; Y528-H581 PolarHBondContact OH-CE1 3.39Å; Y528-H581 PolarHBondContact OH-ND1 2.83Å; Y528-H581 PolarHBondContact OH-NE2 2.91Å; Y528-H581 VanDerWaalsContact OH-NE2 3.15Å; H581-D583 VanDerWaalsContact C-N 3.28Å; H581-D583 PolarHBondContact O-N 2.65Å; H581-I590 HydrophobicContact CB-CG2 4.27Å
582Q67.1Low82.1Confident105 Ų10557.8 Ų57.849%0.49129%0.294SS..SBendtrans-70.8-17.2-162.3-63.7-179.82.900115.3L274 H584L274-Q582 PolarHBondContact O-NE2 3.43Å; Q582-H584 PolarHBondContact O-N 2.91Å
583D61.4Low82.2Confident77 Ų7757.8 Ų57.841%0.41229%0.294SS..  trans-9258.9-173.8-65.4-35.9000112.5H581 T585 S586 S589H581-D583 VanDerWaalsContact C-N 3.28Å; H581-D583 PolarHBondContact O-N 2.65Å; D583-T585 PolarHBondContact O-N 2.78Å; D583-S586 VanDerWaalsContact CB-OG 3.31Å; D583-S586 WeakPolarHBondContact CB-OG 3.08Å; D583-S586 PolarHBondContact O-N 3.34Å; D583-S586 PolarHBondContact O-OG 3.35Å; D583-S589 VanDerWaalsContact O-CB 3.26Å; D583-S589 WeakPolarHBondContact O-CB 3.36Å
584H66.4Low82.5Confident89 Ų8956.2 Ų56.241%0.41229%0.286SS..THydrogen-bonded Turntrans-52.2-21.4179.3-65.5-67.6000114.2Q582 Y591 N592Q582-H584 PolarHBondContact O-N 2.91Å; H584-Y591 AromaticContact ND1-CD1 3.6Å; H584-Y591 AromaticContact ND1-CG 3.63Å; H584-N592 PolarHBondContact O-ND2 3.06Å
585T63Low82.7Confident142 Ų14254.6 Ų54.687%0.87127%0.271SS*.THydrogen-bonded Turntrans-84.6-12.2178.254.60000114.4D583D583-T585 PolarHBondContact O-N 2.78Å
586S68.3Low82.8Confident32 Ų3254.6 Ų54.622%0.22428%0.275CS..SBendtrans-102151.5-176.586.40000112D583 E588 S589 N592D583-S586 VanDerWaalsContact CB-OG 3.31Å; D583-S586 WeakPolarHBondContact CB-OG 3.08Å; D583-S586 PolarHBondContact O-N 3.34Å; D583-S586 PolarHBondContact O-OG 3.35Å; S586-E588 PolarHBondContact O-N 3.19Å; S586-E588 VanDerWaalsContact O-N 3.15Å; S586-E588 PolarHBondContact OG-N 3.26Å; S586-E588 VanDerWaalsContact OG-N 3.16Å; S586-S589 WeakPolarHBondContact O-CB 3.26Å; S586-S589 PolarHBondContact O-N 3.45Å; S586-N592 PolarHBondContact O-ND2 3.28Å
587N69.6Low83Confident143 Ų14354.6 Ų54.677%0.76528%0.275SS*.THydrogen-bonded Turntrans-65.1-10169.4-75.7-7.8000112.6S589N587-S589 VanDerWaalsContact C-N 3.28Å
588E80.3Confident83.3Confident84 Ų8451 Ų5139%0.39326%0.256SS..THydrogen-bonded Turntrans-93.718.2178.6-58.7-177.9159.200111.3K578 L579 R580 S586K578-E588 IonicContact NZ-OE1 3.49Å; L579-E588 CarbonylContact C-O 3.59Å; L579-E588 VanDerWaalsContact CA-O 3.26Å; L579-E588 WeakPolarHBondContact CA-O 3.15Å; R580-E588 PolarHBondContact N-O 2.91Å; S586-E588 PolarHBondContact O-N 3.19Å; S586-E588 VanDerWaalsContact O-N 3.15Å; S586-E588 PolarHBondContact OG-N 3.26Å; S586-E588 VanDerWaalsContact OG-N 3.16Å
589S89.4Confident83.5Confident0 Ų054.4 Ų54.40%027%0.266CS..BIsolated β-bridgetrans-88.6131.8174.3-174.30000112.9R580 D583 S586 N587 Y591 N592 L593R580-S589 VanDerWaalsContact O-CA 3.3Å; R580-S589 WeakPolarHBondContact O-CA 3.38Å; D583-S589 VanDerWaalsContact O-CB 3.26Å; D583-S589 WeakPolarHBondContact O-CB 3.36Å; S586-S589 WeakPolarHBondContact O-CB 3.26Å; S586-S589 PolarHBondContact O-N 3.45Å; N587-S589 VanDerWaalsContact C-N 3.28Å; S589-Y591 VanDerWaalsContact C-N 3.25Å; S589-Y591 PolarHBondContact O-N 3.24Å; S589-Y591 PolarHBondContact OG-N 2.8Å; S589-N592 PolarHBondContact O-N 3.41Å; S589-L593 PolarHBondContact O-N 3.02Å; S589-L593 VanDerWaalsContact O-N 3.08Å
590I92.7Very high83.6Confident0 Ų058 Ų580%029%0.285CS..Hα-helixtrans-60.5-36.2170.2-172.457.6000111.8M521 C525 V529 L579 R580 H581 N592 L593 L594M521-I590 HydrophobicContact SD-CD1 4.26Å; C525-I590 HydrophobicContact CB-CB 4.21Å; C525-I590 HydrophobicContact CB-CD1 4.16Å; C525-I590 HydrophobicContact CB-CG1 4.03Å; V529-I590 HydrophobicContact CG2-CD1 4.14Å; L579-I590 HydrophobicContact CD1-CD1 4.38Å; R580-I590 PolarHBondContact O-N 3Å; H581-I590 HydrophobicContact CB-CG2 4.27Å; I590-N592 VanDerWaalsContact C-N 3.32Å; I590-N592 PolarHBondContact O-N 2.75Å; I590-L593 HydrophobicContact CD1-CD2 4.12Å; I590-L593 PolarHBondContact O-N 2.95Å; I590-L594 HydrophobicContact CD1-CG 4.27Å; I590-L594 HydrophobicContact CG1-CD1 4.24Å; I590-L594 HydrophobicContact CG1-CG 4.3Å; I590-L594 WeakPolarHBondContact O-CG 3.39Å; I590-L594 PolarHBondContact O-N 3.36Å
591Y92Very high84Confident44 Ų4452.3 Ų52.317%0.17326%0.264CS..Hα-helixtrans-61-43.2176.5172.2-98.6000111.5L311 N312 H584 S589 L594 T595L311-Y591 HydrophobicContact CB-CE2 4.26Å; L311-Y591 WeakPolarHBondContact O-CD2 3.29Å; N312-Y591 WeakPolarHBondContact OD1-CE2 3.39Å; H584-Y591 AromaticContact ND1-CD1 3.6Å; H584-Y591 AromaticContact ND1-CG 3.63Å; S589-Y591 VanDerWaalsContact C-N 3.25Å; S589-Y591 PolarHBondContact O-N 3.24Å; S589-Y591 PolarHBondContact OG-N 2.8Å; Y591-L594 PolarHBondContact O-N 2.91Å; Y591-T595 WeakPolarHBondContact O-CB 3.4Å; Y591-T595 PolarHBondContact O-N 3.14Å; Y591-T595 PolarHBondContact O-OG1 3.47Å
592N92.4Very high84.7Confident50 Ų5058.2 Ų58.227%0.26730%0.296SS..Hα-helixtrans-67.7-37.7178.6-71-24.1000111.6H584 S586 S589 I590 S596H584-N592 PolarHBondContact O-ND2 3.06Å; S586-N592 PolarHBondContact O-ND2 3.28Å; S589-N592 PolarHBondContact O-N 3.41Å; I590-N592 VanDerWaalsContact C-N 3.32Å; I590-N592 PolarHBondContact O-N 2.75Å; N592-S596 WeakPolarHBondContact O-CB 3.4Å; N592-S596 PolarHBondContact O-N 3.1Å
593L94.3Very high85.9Confident2 Ų253.3 Ų53.31%0.0127%0.273CS..Hα-helixtrans-61.4-52.3173175.760.4000111.4I544 D547 V548 Y575 L579 S589 I590 T595 S596 A597I544-L593 HydrophobicContact CG2-CD2 4.25Å; D547-L593 HydrophobicContact CB-CD1 4.18Å; V548-L593 HydrophobicContact CG2-CD1 3.86Å; V548-L593 HydrophobicContact CG2-CD2 4.2Å; Y575-L593 HydrophobicContact CE1-CD2 4.47Å; L579-L593 HydrophobicContact CD1-CD2 3.74Å; S589-L593 PolarHBondContact O-N 3.02Å; S589-L593 VanDerWaalsContact O-N 3.08Å; I590-L593 HydrophobicContact CD1-CD2 4.12Å; I590-L593 PolarHBondContact O-N 2.95Å; L593-T595 VanDerWaalsContact C-N 3.35Å; L593-T595 PolarHBondContact O-N 3.46Å; L593-S596 PolarHBondContact O-N 3.22Å; L593-A597 WeakPolarHBondContact O-CB 3.48Å; L593-A597 PolarHBondContact O-N 3.2Å
594L95Very high87.3Confident0 Ų052.5 Ų52.50%027%0.271CS..Hα-helixtrans-61.9-43.2-179.5-65.2179.3000111.8L311 V529 F532 I544 I590 Y591 A597 D598L311-L594 HydrophobicContact CD2-CB 3.81Å; V529-L594 HydrophobicContact CG2-CD2 4.27Å; F532-L594 HydrophobicContact CD1-CD2 4.24Å; I544-L594 HydrophobicContact CD1-CD2 3.57Å; I544-L594 HydrophobicContact CG1-CD2 3.94Å; I590-L594 HydrophobicContact CD1-CG 4.27Å; I590-L594 HydrophobicContact CG1-CD1 4.24Å; I590-L594 HydrophobicContact CG1-CG 4.3Å; I590-L594 WeakPolarHBondContact O-CG 3.39Å; I590-L594 PolarHBondContact O-N 3.36Å; Y591-L594 PolarHBondContact O-N 2.91Å; L594-A597 PolarHBondContact O-N 2.76Å; L594-D598 PolarHBondContact O-N 2.83Å
595T94.2Very high88.4Confident8 Ų850.3 Ų50.35%0.04926%0.262CS..Hα-helixtrans-67.8-40.2178.7-58.80000111.8Y591 L593 R599Y591-T595 WeakPolarHBondContact O-CB 3.4Å; Y591-T595 PolarHBondContact O-N 3.14Å; Y591-T595 PolarHBondContact O-OG1 3.47Å; L593-T595 VanDerWaalsContact C-N 3.35Å; L593-T595 PolarHBondContact O-N 3.46Å; T595-R599 HydrophobicContact CG2-CG 4.43Å; T595-R599 VanDerWaalsContact O-CB 3.31Å; T595-R599 WeakPolarHBondContact O-CB 3.38Å; T595-R599 WeakPolarHBondContact O-CG 2.88Å; T595-R599 PolarHBondContact O-N 2.96Å
596S94.5Very high89.5Confident27 Ų2748.9 Ų48.919%0.18925%0.246CC..Hα-helixtrans-63.5-44.9174.1175.70000110.8D547 R550 N592 L593 R599 N600D547-S596 PolarHBondContact OD1-OG 3.45Å; D547-S596 VanDerWaalsContact OD2-CB 3.25Å; D547-S596 WeakPolarHBondContact OD2-CB 3.13Å; D547-S596 PolarHBondContact OD2-OG 2.88Å; R550-S596 PolarHBondContact NH2-OG 3.3Å; N592-S596 WeakPolarHBondContact O-CB 3.4Å; N592-S596 PolarHBondContact O-N 3.1Å; L593-S596 PolarHBondContact O-N 3.22Å; S596-R599 PolarHBondContact O-N 3.16Å; S596-N600 WeakPolarHBondContact O-CB 3.5Å; S596-N600 VanDerWaalsContact O-CG 3.31Å; S596-N600 PolarHBondContact O-N 3.39Å; S596-N600 PolarHBondContact O-ND2 3.33Å; S596-N600 PolarHBondContact OG-ND2 2.95Å
597A95.8Very high90.6Very high0 Ų048.5 Ų48.50%024%0.241CC..Hα-helixtrans-60.4-47.5177.800000112.3Q543 I544 D547 L593 L594 F601Q543-A597 HydrophobicContact CB-CB 4Å; I544-A597 HydrophobicContact CG1-CB 4.34Å; D547-A597 HydrophobicContact CB-CB 4.04Å; L593-A597 WeakPolarHBondContact O-CB 3.48Å; L593-A597 PolarHBondContact O-N 3.2Å; L594-A597 PolarHBondContact O-N 2.76Å; A597-F601 PolarHBondContact O-N 3.3Å
598D94.1Very high91.7Very high23 Ų2341.7 Ų41.712%0.12321%0.205CC..Hα-helixtrans-65.9-40.5178.1-171.767.2000112.2K307 F532 R539 L594K307-D598 WeakPolarHBondContact CE-OD2 2.9Å; K307-D598 IonicContact NZ-OD2 3.52Å; K307-D598 PolarHBondContact NZ-OD2 3.11Å; F532-D598 HydrophobicContact CE1-CB 4.29Å; F532-D598 HydrophobicContact CZ-CB 4.01Å; R539-D598 IonicContact CZ-OD1 2.65Å; R539-D598 IonicContact NH1-OD1 3.55Å; R539-D598 PolarHBondContact NH1-OD1 3.23Å; R539-D598 IonicContact NH2-OD1 3.58Å; L594-D598 PolarHBondContact O-N 2.83Å
599R93.6Very high92Very high180 Ų18039.8 Ų39.868%0.67920%0.197SC*.Hα-helixtrans-74.4-38.6-176.6-73.7177-178.3168.23.4114T595 S596T595-R599 HydrophobicContact CG2-CG 4.43Å; T595-R599 VanDerWaalsContact O-CB 3.31Å; T595-R599 WeakPolarHBondContact O-CB 3.38Å; T595-R599 WeakPolarHBondContact O-CG 2.88Å; T595-R599 PolarHBondContact O-N 2.96Å; S596-R599 PolarHBondContact O-N 3.16Å
600N93.4Very high91.8Very high74 Ų7447.3 Ų47.340%0.39623%0.225SC..Hα-helixtrans-87-21.2-169.3-71.5-62.5000113.6R550 S596R550-N600 VanDerWaalsContact NH1-CB 3.32Å; R550-N600 PolarHBondContact NH1-ND2 3.37Å; R550-N600 PolarHBondContact NH1-OD1 3.05Å; R550-N600 VanDerWaalsContact NH1-OD1 3.12Å; R550-N600 VanDerWaalsContact NH2-CG 3.33Å; R550-N600 PolarHBondContact NH2-ND2 3Å; S596-N600 WeakPolarHBondContact O-CB 3.5Å; S596-N600 VanDerWaalsContact O-CG 3.31Å; S596-N600 PolarHBondContact O-N 3.39Å; S596-N600 PolarHBondContact O-ND2 3.33Å; S596-N600 PolarHBondContact OG-ND2 2.95Å
601F93.1Very high91.7Very high3 Ų347.9 Ų47.91%0.01323%0.228CC..  trans-124.1100.7-174.8-57.7-79000109.9Y454 Q543 L546 D547 R550 A597 I603Y454-F601 AromaticContact CD1-CD1 3.98Å; Y454-F601 HydrophobicContact CD1-CD1 3.98Å; Y454-F601 AromaticContact CG-CD1 3.99Å; Y454-F601 HydrophobicContact CG-CD1 3.99Å; Y454-F601 HydrophobicContact CG-CE1 4.41Å; Q543-F601 HydrophobicContact CG-CB 4.16Å; Q543-F601 PolarHBondContact NE2-O 3.47Å; L546-F601 HydrophobicContact CB-CD1 3.99Å; L546-F601 HydrophobicContact CB-CD2 4.22Å; L546-F601 HydrophobicContact CB-CE1 3.71Å; L546-F601 HydrophobicContact CB-CE2 3.99Å; L546-F601 HydrophobicContact CB-CG 4.23Å; L546-F601 HydrophobicContact CB-CZ 3.7Å; L546-F601 HydrophobicContact CD1-CD1 3.97Å; L546-F601 HydrophobicContact CD1-CE1 4.37Å; L546-F601 HydrophobicContact CD1-CG 4.31Å; D547-F601 VanDerWaalsContact CA-CE2 3.5Å; D547-F601 HydrophobicContact CB-CD2 4.41Å; D547-F601 HydrophobicContact CB-CE2 3.65Å; R550-F601 HydrophobicContact CB-CZ 4.21Å; A597-F601 PolarHBondContact O-N 3.3Å; F601-I603 HydrophobicContact CB-CD1 3.89Å; F601-I603 HydrophobicContact CB-CG1 4.15Å; F601-I603 PolarHBondContact O-N 3.41Å
602N87.9Confident91.6Very high139 Ų13946.2 Ų46.274%0.74322%0.222SC*.  trans-77.169175.4-171.326.9000110.9Y454Y454-N602 PolarHBondContact OH-O 3.36Å
603I92.3Very high91.2Very high3 Ų344.7 Ų44.72%0.01521%0.214CC..  trans-107.9123.9-178.6-64172.2000108.1L450 Y454 R539 Q543 L546 F601 L607 I608L450-I603 HydrophobicContact CD1-CD1 4.17Å; L450-I603 HydrophobicContact CD2-CD1 4.14Å; L450-I603 HydrophobicContact CD2-CG1 4.45Å; Y454-I603 HydrophobicContact CE2-CD1 4.26Å; Y454-I603 HydrophobicContact CE2-CG1 4.11Å; R539-I603 HydrophobicContact CB-CG2 4.29Å; R539-I603 VanDerWaalsContact CD-O 3.32Å; R539-I603 WeakPolarHBondContact CD-O 3.37Å; Q543-I603 HydrophobicContact CG-CB 4.35Å; L546-I603 HydrophobicContact CD1-CD1 3.19Å; F601-I603 HydrophobicContact CB-CD1 3.89Å; F601-I603 HydrophobicContact CB-CG1 4.15Å; F601-I603 PolarHBondContact O-N 3.41Å; I603-L607 HydrophobicContact CG2-CD2 4.41Å; I603-I608 HydrophobicContact CG2-CD1 3.64Å; I603-I608 HydrophobicContact CG2-CG1 3.77Å
604T90.9Very high90.8Very high60 Ų6048.5 Ų48.537%0.36823%0.231SC..  trans-100.5157.5176.3640000110.8E606 L607 I608T604-E606 VanDerWaalsContact C-N 3.25Å; T604-E606 PolarHBondContact O-N 3.24Å; T604-L607 WeakPolarHBondContact O-CB 3.5Å; T604-L607 PolarHBondContact O-N 3.43Å; T604-L607 WeakPolarHBondContact OG1-CB 3.32Å; T604-L607 PolarHBondContact OG1-N 3.47Å; T604-L607 VanDerWaalsContact OG1-N 3.11Å; T604-I608 PolarHBondContact O-N 2.88Å
605N89.7Confident90.4Very high43 Ų4351.4 Ų51.423%0.2324%0.243CC..Hα-helixtrans-60.4-38.9172.2-69-42.6000110.9G536 A538 R539 L607 I608 D609G536-N605 PolarHBondContact O-ND2 3.17Å; A538-N605 PolarHBondContact N-OD1 2.8Å; R539-N605 WeakPolarHBondContact CB-OD1 3.3Å; R539-N605 PolarHBondContact N-OD1 3.19Å; N605-L607 VanDerWaalsContact C-N 3.31Å; N605-L607 PolarHBondContact O-N 3.14Å; N605-I608 WeakPolarHBondContact O-CA 3.4Å; N605-I608 WeakPolarHBondContact O-CB 3.21Å; N605-I608 PolarHBondContact O-N 2.64Å; N605-D609 PolarHBondContact O-N 3.06Å
606E86.2Confident90.1Very high111 Ų11152 Ų5252%0.51924%0.244SC..Hα-helixtrans-57.2-41.3175.2-168.9-169.1176.100112.6H111 T604 D609 R610H111-E606 IonicContact NE2-OE1 3.13Å; H111-E606 IonicContact NE2-OE2 2.97Å; T604-E606 VanDerWaalsContact C-N 3.25Å; T604-E606 PolarHBondContact O-N 3.24Å; E606-D609 PolarHBondContact O-N 3.47Å; E606-R610 WeakPolarHBondContact O-CB 3.43Å; E606-R610 PolarHBondContact O-N 2.89Å
607L90.7Very high89.8Confident25 Ų2550.8 Ų50.813%0.13124%0.235CC..Hα-helixtrans-62-46.8174.3173.362.6000111L450 I603 T604 N605 R610 M611L450-L607 HydrophobicContact CD2-CD2 4.48Å; I603-L607 HydrophobicContact CG2-CD2 4.41Å; T604-L607 WeakPolarHBondContact O-CB 3.5Å; T604-L607 PolarHBondContact O-N 3.43Å; T604-L607 WeakPolarHBondContact OG1-CB 3.32Å; T604-L607 PolarHBondContact OG1-N 3.47Å; T604-L607 VanDerWaalsContact OG1-N 3.11Å; N605-L607 VanDerWaalsContact C-N 3.31Å; N605-L607 PolarHBondContact O-N 3.14Å; L607-R610 PolarHBondContact O-N 3.43Å; L607-M611 HydrophobicContact CD1-CG 4.21Å; L607-M611 HydrophobicContact CD1-SD 4.01Å; L607-M611 HydrophobicContact CG-SD 4.13Å; L607-M611 VanDerWaalsContact O-CG 3.3Å; L607-M611 WeakPolarHBondContact O-CG 3.44Å; L607-M611 PolarHBondContact O-N 3.03Å
608I92.9Very high89.3Confident0 Ų054 Ų540%025%0.249CC..Hα-helixtrans-59.7-46.9178.5-65.2-57.8000110.6V446 L450 F542 I603 T604 N605 R610 M611 R612V446-I608 HydrophobicContact CG1-CD1 3.89Å; L450-I608 HydrophobicContact CD1-CD1 3.76Å; F542-I608 HydrophobicContact CB-CD1 4.33Å; F542-I608 HydrophobicContact CD1-CD1 4.11Å; F542-I608 HydrophobicContact CD2-CD1 3.64Å; F542-I608 HydrophobicContact CD2-CG1 4.03Å; F542-I608 HydrophobicContact CD2-CG2 4.29Å; F542-I608 HydrophobicContact CE1-CD1 4.28Å; F542-I608 HydrophobicContact CE2-CD1 3.85Å; F542-I608 HydrophobicContact CE2-CG1 4.2Å; F542-I608 HydrophobicContact CE2-CG2 3.63Å; F542-I608 HydrophobicContact CG-CD1 3.77Å; F542-I608 HydrophobicContact CZ-CD1 4.14Å; F542-I608 HydrophobicContact CZ-CG2 4.11Å; I603-I608 HydrophobicContact CG2-CD1 3.64Å; I603-I608 HydrophobicContact CG2-CG1 3.77Å; T604-I608 PolarHBondContact O-N 2.88Å; N605-I608 WeakPolarHBondContact O-CA 3.4Å; N605-I608 WeakPolarHBondContact O-CB 3.21Å; N605-I608 PolarHBondContact O-N 2.64Å; I608-R610 PolarHBondContact O-N 3.42Å; I608-M611 CarbonylContact O-C 3.5Å; I608-M611 PolarHBondContact O-N 3.06Å; I608-M611 VanDerWaalsContact O-N 3.16Å; I608-R612 HydrophobicContact CG2-CG 4.33Å; I608-R612 WeakPolarHBondContact O-CG 3.4Å; I608-R612 PolarHBondContact O-N 3.35Å
609D87.3Confident88.9Confident44 Ų4453.2 Ų53.224%0.23525%0.245CC..Hα-helixtrans-67.5-37.1-178.2-65.8-37.6000112.5N605 E606 M611 R612 L613N605-D609 PolarHBondContact O-N 3.06Å; E606-D609 PolarHBondContact O-N 3.47Å; D609-M611 PolarHBondContact O-N 2.8Å; D609-R612 WeakPolarHBondContact O-CB 3.48Å; D609-R612 PolarHBondContact O-N 3.22Å; D609-R612 WeakPolarHBondContact OD1-CD 3.36Å; D609-R612 IonicContact OD1-CZ 3.86Å; D609-R612 IonicContact OD1-NH1 3.54Å; D609-R612 PolarHBondContact OD1-NH1 2.97Å; D609-L613 WeakPolarHBondContact O-CG 3.35Å; D609-L613 PolarHBondContact O-N 2.69Å
610R85.7Confident88.5Confident157 Ų15744.7 Ų44.759%0.59221%0.213SC*.Hα-helixtrans-61.5-43.4170.9-174.9178.664.7-174.50.4111.8E606 L607 I608 L613 Q614E606-R610 WeakPolarHBondContact O-CB 3.43Å; E606-R610 PolarHBondContact O-N 2.89Å; L607-R610 PolarHBondContact O-N 3.43Å; I608-R610 PolarHBondContact O-N 3.42Å; R610-L613 PolarHBondContact O-N 3.26Å; R610-Q614 PolarHBondContact O-N 3.16Å; R610-Q614 VanDerWaalsContact O-N 3.12Å
611M89.8Confident88.2Confident13 Ų1341.5 Ų41.56%0.06420%0.196CC..Hα-helixtrans-67.8-39.7176.9-68.3179.876.300111.5V446 A449 L450 L607 I608 D609 L613 Q614 Y615V446-M611 HydrophobicContact CB-CB 4.46Å; V446-M611 HydrophobicContact CG1-CB 3.88Å; V446-M611 HydrophobicContact CG1-CE 4.11Å; V446-M611 HydrophobicContact CG1-SD 4.07Å; V446-M611 HydrophobicContact CG2-CB 3.9Å; A449-M611 HydrophobicContact CB-CE 3.45Å; A449-M611 VanDerWaalsContact CB-CE 3.45Å; L450-M611 HydrophobicContact CD2-CE 4.22Å; L450-M611 HydrophobicContact CD2-SD 3.88Å; L450-M611 HydrophobicContact CG-CE 4.08Å; L450-M611 HydrophobicContact CG-SD 4.19Å; L607-M611 HydrophobicContact CD1-CG 4.21Å; L607-M611 HydrophobicContact CD1-SD 4.01Å; L607-M611 HydrophobicContact CG-SD 4.13Å; L607-M611 VanDerWaalsContact O-CG 3.3Å; L607-M611 WeakPolarHBondContact O-CG 3.44Å; L607-M611 PolarHBondContact O-N 3.03Å; I608-M611 CarbonylContact O-C 3.5Å; I608-M611 PolarHBondContact O-N 3.06Å; I608-M611 VanDerWaalsContact O-N 3.16Å; D609-M611 PolarHBondContact O-N 2.8Å; M611-L613 PolarHBondContact O-N 3.08Å; M611-Q614 WeakPolarHBondContact O-CB 3.31Å; M611-Q614 PolarHBondContact O-N 3.08Å; M611-Q614 VanDerWaalsContact O-N 3.1Å; M611-Y615 HydrophobicContact CB-CD2 4.34Å; M611-Y615 HydrophobicContact CB-CE2 4.41Å; M611-Y615 HydrophobicContact CE-CE2 4Å; M611-Y615 WeakPolarHBondContact O-CD2 3.43Å; M611-Y615 PolarHBondContact O-N 3.03Å
612R89.5Confident87.8Confident9 Ų942 Ų423%0.03420%0.199CC..Hα-helixtrans-55.3-49.8172.7-76.2167.9171.5169.1-7111.1V442 D443 V446 I608 D609 Q614 Y615 R616V442-R612 HydrophobicContact CG1-CB 4.05Å; V442-R612 HydrophobicContact CG1-CG 3.99Å; D443-R612 WeakPolarHBondContact OD1-CG 3.49Å; D443-R612 IonicContact OD1-CZ 3.65Å; D443-R612 IonicContact OD1-NE 3.7Å; D443-R612 PolarHBondContact OD1-NE 3.01Å; D443-R612 IonicContact OD1-NH2 3.28Å; D443-R612 IonicContact OD2-CZ 3.21Å; D443-R612 IonicContact OD2-NE 2.71Å; D443-R612 PolarHBondContact OD2-NE 2.92Å; D443-R612 IonicContact OD2-NH2 3Å; D443-R612 PolarHBondContact OD2-NH2 2.78Å; V446-R612 HydrophobicContact CG2-CG 4.23Å; I608-R612 HydrophobicContact CG2-CG 4.33Å; I608-R612 WeakPolarHBondContact O-CG 3.4Å; I608-R612 PolarHBondContact O-N 3.35Å; D609-R612 WeakPolarHBondContact O-CB 3.48Å; D609-R612 PolarHBondContact O-N 3.22Å; D609-R612 WeakPolarHBondContact OD1-CD 3.36Å; D609-R612 IonicContact OD1-CZ 3.86Å; D609-R612 IonicContact OD1-NH1 3.54Å; D609-R612 PolarHBondContact OD1-NH1 2.97Å; R612-Q614 VanDerWaalsContact C-N 3.26Å; R612-Q614 PolarHBondContact O-N 3.13Å; R612-Y615 PolarHBondContact O-N 3.09Å; R612-R616 WeakPolarHBondContact O-CB 3.05Å; R612-R616 PolarHBondContact O-N 3.29Å
613L85.3Confident87.7Confident18 Ų1835.8 Ų35.89%0.09417%0.166CC..Hα-helixtrans-58.6-37.4176.4-73.7168.1000112.6N66 D609 R610 M611 P617N66-L613 HydrophobicContact CB-CD2 3.83Å; N66-L613 WeakPolarHBondContact ND2-CD2 3.27Å; D609-L613 WeakPolarHBondContact O-CG 3.35Å; D609-L613 PolarHBondContact O-N 2.69Å; R610-L613 PolarHBondContact O-N 3.26Å; M611-L613 PolarHBondContact O-N 3.08Å; L613-P617 VanDerWaalsContact O-CD 3.29Å; L613-P617 WeakPolarHBondContact O-CD 3.47Å
614Q84.2Confident87.3Confident81 Ų8135.9 Ų35.938%0.37917%0.167SC..Hα-helixtrans-71.4-42.7179.7-172.7179.93.500113.1R610 M611 R612R610-Q614 PolarHBondContact O-N 3.16Å; R610-Q614 VanDerWaalsContact O-N 3.12Å; M611-Q614 WeakPolarHBondContact O-CB 3.31Å; M611-Q614 PolarHBondContact O-N 3.08Å; M611-Q614 VanDerWaalsContact O-N 3.1Å; R612-Q614 VanDerWaalsContact C-N 3.26Å; R612-Q614 PolarHBondContact O-N 3.13Å
615Y86.7Confident87.1Confident62 Ų6235.3 Ų35.324%0.24316%0.162CC..Hα-helixtrans-88-26-174.5-72.6-69.4000113.8Q445 V446 A449 M611 R612 K618 V619Q445-Y615 HydrophobicContact CB-CD1 4.12Å; Q445-Y615 HydrophobicContact CB-CG 4.05Å; V446-Y615 HydrophobicContact CG2-CD2 4.12Å; A449-Y615 HydrophobicContact CB-CE2 3.94Å; A449-Y615 VanDerWaalsContact CB-OH 3.27Å; A449-Y615 WeakPolarHBondContact CB-OH 3.19Å; M611-Y615 HydrophobicContact CB-CD2 4.34Å; M611-Y615 HydrophobicContact CB-CE2 4.41Å; M611-Y615 HydrophobicContact CE-CE2 4Å; M611-Y615 WeakPolarHBondContact O-CD2 3.43Å; M611-Y615 PolarHBondContact O-N 3.03Å; R612-Y615 PolarHBondContact O-N 3.09Å; Y615-K618 PolarHBondContact O-N 3.37Å; Y615-K618 VanDerWaalsContact O-N 3.13Å; Y615-V619 PolarHBondContact O-N 2.87Å
616R89.1Confident86.8Confident21 Ų2136.4 Ų36.48%0.07916%0.163CC..Hα-helixtrans-57.5-43-174.4-176.1-174.4-72124.31.3114.8N66 V442 R612 K618 V619 I620N66-R616 WeakPolarHBondContact OD1-CD 3.33Å; N66-R616 PolarHBondContact OD1-NH1 3.42Å; V442-R616 HydrophobicContact CG1-CB 4.29Å; V442-R616 HydrophobicContact CG2-CB 3.86Å; V442-R616 HydrophobicContact CG2-CG 3.92Å; R612-R616 WeakPolarHBondContact O-CB 3.05Å; R612-R616 PolarHBondContact O-N 3.29Å; R616-K618 PolarHBondContact O-N 3.13Å; R616-V619 PolarHBondContact O-N 2.81Å; R616-I620 HydrophobicContact CG-CD1 3.4Å; R616-I620 HydrophobicContact CG-CG1 3.84Å; R616-I620 WeakPolarHBondContact O-CG1 3.49Å; R616-I620 PolarHBondContact O-N 2.83Å
617P86.9Confident86.7Confident0 Ų032.4 Ų32.40%015%0.146CC..Hα-helixtrans-53.5-43.6175.8-28.136.3000112.7T27 V69 L613 Q621T27-P617 CarbonylContact O-C 3.31Å; V69-P617 HydrophobicContact CG1-CB 4.17Å; V69-P617 HydrophobicContact CG2-CB 4.3Å; V69-P617 HydrophobicContact CG2-CG 4.3Å; L613-P617 VanDerWaalsContact O-CD 3.29Å; L613-P617 WeakPolarHBondContact O-CD 3.47Å; P617-Q621 WeakPolarHBondContact O-CB 3.49Å; P617-Q621 WeakPolarHBondContact O-CG 3.27Å; P617-Q621 PolarHBondContact O-N 3.45Å
618K85.5Confident86.7Confident68 Ų6831.2 Ų31.230%0.29614%0.141SC..Hα-helixtrans-67.9-41.6-178.9-158-172.9-176.8-176.20111.9T27 L470 Y615 R616 S622T27-K618 VanDerWaalsContact O-CA 3.27Å; T27-K618 WeakPolarHBondContact O-CA 3.41Å; T27-K618 WeakPolarHBondContact O-CB 3.32Å; T27-K618 PolarHBondContact O-N 3.45Å; T27-K618 VanDerWaalsContact O-N 3.08Å; L470-K618 HydrophobicContact CD1-CD 3.81Å; L470-K618 HydrophobicContact CD1-CG 3.68Å; Y615-K618 PolarHBondContact O-N 3.37Å; Y615-K618 VanDerWaalsContact O-N 3.13Å; R616-K618 PolarHBondContact O-N 3.13Å; K618-S622 PolarHBondContact O-N 3.36Å
619V86.2Confident86.5Confident7 Ų736.9 Ų36.94%0.04217%0.165CC..Hα-helixtrans-67.6-49.3179.6173.70000110.9R441 V442 Q445 Y615 R616 Q621 S622 L623R441-V619 HydrophobicContact CB-CG1 3.75Å; V442-V619 HydrophobicContact CG2-CB 3.93Å; V442-V619 HydrophobicContact CG2-CG1 3.95Å; V442-V619 HydrophobicContact CG2-CG2 4.19Å; Q445-V619 HydrophobicContact CG-CG2 3.73Å; Y615-V619 PolarHBondContact O-N 2.87Å; R616-V619 PolarHBondContact O-N 2.81Å; V619-Q621 VanDerWaalsContact C-N 3.3Å; V619-Q621 PolarHBondContact O-N 3.46Å; V619-S622 PolarHBondContact O-N 3.18Å; V619-S622 PolarHBondContact O-OG 2.83Å; V619-L623 HydrophobicContact CG1-CD1 4.32Å; V619-L623 PolarHBondContact O-N 2.86Å
620I85.7Confident86.5Confident1 Ų137 Ų371%0.00516%0.164CC..Hα-helixtrans-63.7-38.1-179.5-64.3-178.9000111.3V69 R70 L72 L73 R616 S622 L623 S624V69-I620 HydrophobicContact CB-CB 4.37Å; V69-I620 HydrophobicContact CB-CG2 4.29Å; V69-I620 HydrophobicContact CG2-CB 4.46Å; V69-I620 HydrophobicContact CG2-CD1 3.97Å; V69-I620 WeakPolarHBondContact O-CG2 3.39Å; R70-I620 HydrophobicContact CB-CD1 4.48Å; R70-I620 HydrophobicContact CG-CD1 3.74Å; L72-I620 HydrophobicContact CB-CG2 3.85Å; L72-I620 HydrophobicContact CD1-CG2 4.17Å; L73-I620 HydrophobicContact CD1-CD1 3.64Å; L73-I620 HydrophobicContact CD1-CG1 4.04Å; L73-I620 HydrophobicContact CD2-CG1 4.28Å; L73-I620 HydrophobicContact CD2-CG2 3.86Å; L73-I620 HydrophobicContact CG-CD1 4.08Å; L73-I620 HydrophobicContact CG-CG1 4.27Å; L73-I620 HydrophobicContact CG-CG2 3.92Å; R616-I620 HydrophobicContact CG-CD1 3.4Å; R616-I620 HydrophobicContact CG-CG1 3.84Å; R616-I620 WeakPolarHBondContact O-CG1 3.49Å; R616-I620 PolarHBondContact O-N 2.83Å; I620-S622 VanDerWaalsContact C-N 3.31Å; I620-S622 PolarHBondContact O-N 3.13Å; I620-L623 PolarHBondContact O-N 3.03Å; I620-S624 WeakPolarHBondContact O-CB 3.48Å; I620-S624 PolarHBondContact O-N 2.83Å
621Q87.2Confident86.7Confident7 Ų729.6 Ų29.63%0.03314%0.136CC..Hα-helixtrans-58.4-43.2172.6-73.8-73.8-10.400112.2I24 I26 T27 P617 V619 L623 S624 D625I24-Q621 PolarHBondContact O-NE2 3.46Å; I26-Q621 PolarHBondContact O-NE2 2.87Å; I26-Q621 VanDerWaalsContact O-NE2 3.16Å; T27-Q621 HydrophobicContact CG2-CG 4.03Å; P617-Q621 WeakPolarHBondContact O-CB 3.49Å; P617-Q621 WeakPolarHBondContact O-CG 3.27Å; P617-Q621 PolarHBondContact O-N 3.45Å; V619-Q621 VanDerWaalsContact C-N 3.3Å; V619-Q621 PolarHBondContact O-N 3.46Å; Q621-L623 PolarHBondContact O-N 2.82Å; Q621-S624 PolarHBondContact O-N 2.92Å; Q621-D625 PolarHBondContact O-N 3.3Å
622S85.1Confident86.8Confident12 Ų1230.1 Ų30.18%0.08414%0.14CC..Hα-helixtrans-65.8-35.9177.672.20000113.2K618 V619 I620 D625 Y626K618-S622 PolarHBondContact O-N 3.36Å; V619-S622 PolarHBondContact O-N 3.18Å; V619-S622 PolarHBondContact O-OG 2.83Å; I620-S622 VanDerWaalsContact C-N 3.31Å; I620-S622 PolarHBondContact O-N 3.13Å; S622-D625 PolarHBondContact O-N 3.45Å; S622-Y626 PolarHBondContact O-N 2.76Å
623L83.9Confident86.8Confident9 Ų937.6 Ų37.65%0.04717%0.169CC..Hα-helixtrans-67.5-40.9174-69.9174.6000111.8L73 R436 A438 V619 I620 Q621 D625 Y626 T627L73-L623 HydrophobicContact CD2-CD1 4.23Å; R436-L623 HydrophobicContact CB-CD1 4.33Å; A438-L623 HydrophobicContact CB-CD1 3.94Å; V619-L623 HydrophobicContact CG1-CD1 4.32Å; V619-L623 PolarHBondContact O-N 2.86Å; I620-L623 PolarHBondContact O-N 3.03Å; Q621-L623 PolarHBondContact O-N 2.82Å; L623-D625 VanDerWaalsContact C-N 3.32Å; L623-D625 PolarHBondContact O-N 2.96Å; L623-Y626 WeakPolarHBondContact O-CB 3.21Å; L623-Y626 PolarHBondContact O-N 3.25Å; L623-T627 PolarHBondContact O-N 3.48Å; L623-T627 PolarHBondContact O-OG1 3.34Å
624S85.8Confident87.1Confident6 Ų638.9 Ų38.94%0.04218%0.179CC..Hα-helixtrans-63.9-38.4174.8-174.60000111.7I620 Q621 T627 S628 R651I620-S624 WeakPolarHBondContact O-CB 3.48Å; I620-S624 PolarHBondContact O-N 2.83Å; Q621-S624 PolarHBondContact O-N 2.92Å; S624-T627 PolarHBondContact O-N 3.49Å; S624-S628 WeakPolarHBondContact O-CB 3.13Å; S624-S628 PolarHBondContact O-N 3.36Å; S624-S628 PolarHBondContact O-OG 2.72Å; S624-R651 PolarHBondContact OG-NH1 3.39Å
625D86.1Confident87.6Confident47 Ų4735 Ų3525%0.25116%0.161SC..Hα-helixtrans-64.5-40.1174.3-75.7-22.6000112.7R42 Q621 S622 L623 S628 K629R42-D625 IonicContact CZ-OD1 3.84Å; R42-D625 IonicContact CZ-OD2 3.49Å; R42-D625 IonicContact NH1-OD1 3.26Å; R42-D625 PolarHBondContact NH1-OD1 3.21Å; R42-D625 IonicContact NH2-OD1 3.59Å; R42-D625 PolarHBondContact NH2-OD1 3.28Å; R42-D625 IonicContact NH2-OD2 3.87Å; Q621-D625 PolarHBondContact O-N 3.3Å; S622-D625 PolarHBondContact O-N 3.45Å; L623-D625 VanDerWaalsContact C-N 3.32Å; L623-D625 PolarHBondContact O-N 2.96Å; D625-S628 PolarHBondContact O-N 3.04Å; D625-K629 WeakPolarHBondContact O-CG 3.39Å; D625-K629 PolarHBondContact O-N 3.44Å
626Y83.6Confident87.6Confident66 Ų6633.9 Ų33.926%0.25917%0.168SC..Hα-helixtrans-61.4-52.4173.9177.5-123000111.1V474 E477 S622 L623 S628 K629 E630V474-Y626 HydrophobicContact CB-CD2 4.48Å; V474-Y626 HydrophobicContact CG1-CD2 3.02Å; V474-Y626 HydrophobicContact CG1-CE2 3.73Å; V474-Y626 HydrophobicContact CG1-CG 3.49Å; V474-Y626 VanDerWaalsContact CG1-CG 3.49Å; E477-Y626 PolarHBondContact OE2-OH 3.34Å; S622-Y626 PolarHBondContact O-N 2.76Å; L623-Y626 WeakPolarHBondContact O-CB 3.21Å; L623-Y626 PolarHBondContact O-N 3.25Å; Y626-S628 PolarHBondContact O-N 2.71Å; Y626-K629 PolarHBondContact O-N 3.49Å; Y626-E630 WeakPolarHBondContact O-CB 3.44Å; Y626-E630 PolarHBondContact O-N 3.37Å
627T84.4Confident87.5Confident27 Ų2744.8 Ų44.817%0.16621%0.209CC..Hα-helixtrans-55-43.9179-52.10000110.7L623 S624 K629 E630 V631 V684L623-T627 PolarHBondContact O-N 3.48Å; L623-T627 PolarHBondContact O-OG1 3.34Å; S624-T627 PolarHBondContact O-N 3.49Å; T627-K629 PolarHBondContact O-N 3.11Å; T627-E630 PolarHBondContact O-N 2.82Å; T627-V631 WeakPolarHBondContact O-CG2 3.37Å; T627-V631 PolarHBondContact O-N 3.38Å; T627-V684 HydrophobicContact CG2-CG1 4.35Å; T627-V684 HydrophobicContact CG2-CG2 4.48Å
628S89.3Confident87.5Confident1 Ų149.7 Ų49.71%0.00723%0.232CC..Hα-helixtrans-61.7-45.1178.1-54.60000112.2S624 D625 Y626 E630 V632 R651S624-S628 WeakPolarHBondContact O-CB 3.13Å; S624-S628 PolarHBondContact O-N 3.36Å; S624-S628 PolarHBondContact O-OG 2.72Å; D625-S628 PolarHBondContact O-N 3.04Å; Y626-S628 PolarHBondContact O-N 2.71Å; S628-E630 VanDerWaalsContact C-N 3.34Å; S628-V632 VanDerWaalsContact O-CG2 3.31Å; S628-V632 WeakPolarHBondContact O-CG2 3.37Å; S628-V632 PolarHBondContact O-N 2.9Å; S628-V632 VanDerWaalsContact O-N 3.13Å; S628-R651 PolarHBondContact OG-NH1 2.94Å
629K88.6Confident87.7Confident119 Ų11947 Ų4752%0.51722%0.22SC..Hα-helixtrans-66.2-38.1176.6-71.7170.6-174.3169.90112.1D625 Y626 T627 V632 R633 I644D625-K629 WeakPolarHBondContact O-CG 3.39Å; D625-K629 PolarHBondContact O-N 3.44Å; Y626-K629 PolarHBondContact O-N 3.49Å; T627-K629 PolarHBondContact O-N 3.11Å; K629-V632 PolarHBondContact O-N 2.89Å; K629-R633 VanDerWaalsContact O-CB 3.22Å; K629-R633 WeakPolarHBondContact O-CB 3.4Å; K629-R633 PolarHBondContact O-N 3.1Å; K629-I644 HydrophobicContact CG-CD1 4.47Å
630E87.3Confident87.2Confident47 Ų4752.5 Ų52.522%0.2226%0.256CS..Hα-helixtrans-66.3-43.6179.4-179.252.2-152.500111.4Y626 T627 S628 V632 R633 S634 A681Y626-E630 WeakPolarHBondContact O-CB 3.44Å; Y626-E630 PolarHBondContact O-N 3.37Å; T627-E630 PolarHBondContact O-N 2.82Å; S628-E630 VanDerWaalsContact C-N 3.34Å; E630-V632 PolarHBondContact O-N 3.15Å; E630-R633 PolarHBondContact O-N 3.08Å; E630-R633 IonicContact OE1-CZ 2.7Å; E630-R633 IonicContact OE1-NE 3.16Å; E630-R633 IonicContact OE1-NH2 3.87Å; E630-R633 PolarHBondContact OE1-NH2 2.96Å; E630-R633 IonicContact OE2-CZ 2.85Å; E630-R633 VanDerWaalsContact OE2-CZ 3.26Å; E630-R633 IonicContact OE2-NE 3.44Å; E630-R633 PolarHBondContact OE2-NE 2.97Å; E630-R633 IonicContact OE2-NH2 3.17Å; E630-R633 PolarHBondContact OE2-NH2 3.04Å; E630-S634 WeakPolarHBondContact O-CB 3.4Å; E630-S634 PolarHBondContact O-N 3.16Å; E630-A681 HydrophobicContact CG-CB 4.04Å
631V90.5Very high86.9Confident0 Ų054.4 Ų54.40%028%0.276CS..Hα-helixtrans-54.4-53.2170.8172.80000110.6T627 R633 S634 L635 F647 A681 F727T627-V631 WeakPolarHBondContact O-CG2 3.37Å; T627-V631 PolarHBondContact O-N 3.38Å; V631-R633 PolarHBondContact O-N 3.16Å; V631-S634 PolarHBondContact O-N 3.25Å; V631-S634 PolarHBondContact O-OG 3.05Å; V631-L635 PolarHBondContact O-N 3.12Å; V631-F647 HydrophobicContact CB-CD2 4.4Å; V631-F647 HydrophobicContact CB-CE1 4.42Å; V631-F647 HydrophobicContact CB-CE2 4.2Å; V631-F647 HydrophobicContact CB-CZ 4.19Å; V631-F647 HydrophobicContact CG1-CD2 3.76Å; V631-F647 HydrophobicContact CG1-CE2 3.77Å; V631-F647 HydrophobicContact CG1-CG 4.25Å; V631-F647 HydrophobicContact CG1-CZ 4.28Å; V631-F647 HydrophobicContact CG2-CE1 4.04Å; V631-F647 HydrophobicContact CG2-CE2 3.87Å; V631-F647 HydrophobicContact CG2-CZ 3.56Å; V631-A681 HydrophobicContact CG2-CB 4.27Å; V631-A681 WeakPolarHBondContact CG2-O 3.06Å; V631-F727 HydrophobicContact CG1-CD1 3.56Å; V631-F727 HydrophobicContact CG1-CE1 4.01Å
632V91.4Very high86.8Confident25 Ų2560.1 Ų60.115%0.15231%0.307CS..Hα-helixtrans-62.1-43.4-179174.40000111.3S628 K629 E630 S634 L635 G636 L643 I644S628-V632 VanDerWaalsContact O-CG2 3.31Å; S628-V632 WeakPolarHBondContact O-CG2 3.37Å; S628-V632 PolarHBondContact O-N 2.9Å; S628-V632 VanDerWaalsContact O-N 3.13Å; K629-V632 PolarHBondContact O-N 2.89Å; E630-V632 PolarHBondContact O-N 3.15Å; V632-S634 VanDerWaalsContact C-N 3.33Å; V632-S634 PolarHBondContact O-N 3.32Å; V632-L635 PolarHBondContact O-N 3.28Å; V632-L635 VanDerWaalsContact O-N 3.15Å; V632-G636 PolarHBondContact O-N 3.1Å; V632-L643 HydrophobicContact CG1-CB 4.29Å; V632-L643 HydrophobicContact CG2-CB 4.04Å; V632-I644 HydrophobicContact CG2-CB 4.4Å; V632-I644 HydrophobicContact CG2-CD1 3.91Å
633R91Very high87.2Confident166 Ų16659.8 Ų59.863%0.62630%0.304SS*.Hα-helixtrans-62-40178.2-171.3-17069.577.1-3.5111.8K629 E630 V631 L635 G636K629-R633 VanDerWaalsContact O-CB 3.22Å; K629-R633 WeakPolarHBondContact O-CB 3.4Å; K629-R633 PolarHBondContact O-N 3.1Å; E630-R633 PolarHBondContact O-N 3.08Å; E630-R633 IonicContact OE1-CZ 2.7Å; E630-R633 IonicContact OE1-NE 3.16Å; E630-R633 IonicContact OE1-NH2 3.87Å; E630-R633 PolarHBondContact OE1-NH2 2.96Å; E630-R633 IonicContact OE2-CZ 2.85Å; E630-R633 VanDerWaalsContact OE2-CZ 3.26Å; E630-R633 IonicContact OE2-NE 3.44Å; E630-R633 PolarHBondContact OE2-NE 2.97Å; E630-R633 IonicContact OE2-NH2 3.17Å; E630-R633 PolarHBondContact OE2-NH2 3.04Å; V631-R633 PolarHBondContact O-N 3.16Å; R633-L635 PolarHBondContact O-N 2.96Å; R633-G636 PolarHBondContact O-N 3.4Å
634S91.4Very high87.6Confident44 Ų4461.2 Ų61.231%0.30831%0.311SS..Hα-helixtrans-62.8-29.5177.879.40000112.5E630 V631 V632E630-S634 WeakPolarHBondContact O-CB 3.4Å; E630-S634 PolarHBondContact O-N 3.16Å; V631-S634 PolarHBondContact O-N 3.25Å; V631-S634 PolarHBondContact O-OG 3.05Å; V632-S634 VanDerWaalsContact C-N 3.33Å; V632-S634 PolarHBondContact O-N 3.32Å
635L93.1Very high87.8Confident1 Ų163 Ų631%0.00532%0.32CS..Hα-helixtrans-94.4-17-179.1-69.3-175.8000114V631 V632 R633 R637 E638 F639 L643 Y682 F727 K728 V731V631-L635 PolarHBondContact O-N 3.12Å; V632-L635 PolarHBondContact O-N 3.28Å; V632-L635 VanDerWaalsContact O-N 3.15Å; R633-L635 PolarHBondContact O-N 2.96Å; L635-R637 PolarHBondContact O-N 3.21Å; L635-E638 PolarHBondContact O-N 3.24Å; L635-F639 HydrophobicContact CB-CD2 4.13Å; L635-F639 HydrophobicContact CD2-CD2 4.37Å; L635-F639 HydrophobicContact CD2-CE2 4.39Å; L635-F639 PolarHBondContact O-N 2.87Å; L635-L643 HydrophobicContact CB-CD1 4.29Å; L635-L643 HydrophobicContact CD1-CD1 4.41Å; L635-Y682 HydrophobicContact CD2-CD1 3.52Å; L635-Y682 HydrophobicContact CD2-CE1 4.15Å; L635-Y682 HydrophobicContact CD2-CG 4Å; L635-Y682 HydrophobicContact CG-CD1 4.19Å; L635-F727 HydrophobicContact CD1-CD1 3.74Å; L635-F727 HydrophobicContact CD1-CE1 4Å; L635-K728 HydrophobicContact CD2-CB 3.99Å; L635-K728 HydrophobicContact CD2-CD 4.02Å; L635-K728 HydrophobicContact CD2-CG 3.85Å; L635-V731 HydrophobicContact CD1-CG2 4.37Å
636G88.4Confident88.2Confident38 Ų3860.9 Ų60.939%0.39231%0.309SS..THydrogen-bonded Turntrans-60.8-18.3-170.700000116.2V632 R633V632-G636 PolarHBondContact O-N 3.1Å; R633-G636 PolarHBondContact O-N 3.4Å
637R86.8Confident88.8Confident250 Ų25057.8 Ų57.894%0.94330%0.297SS*.THydrogen-bonded Turntrans-75-35.2172.3-70.7-174.1-179179.92.2112.8L635L635-R637 PolarHBondContact O-N 3.21Å
638E86.7Confident89.1Confident102 Ų10257.4 Ų57.448%0.47729%0.293SS..THydrogen-bonded Turntrans-88.2-34-179.2-67.4-176.5-144.100111.2L635 K728L635-E638 PolarHBondContact O-N 3.24Å; E638-K728 IonicContact OE1-NZ 3.62Å; E638-K728 PolarHBondContact OE1-NZ 3.43Å; E638-K728 WeakPolarHBondContact OE2-CE 3.41Å; E638-K728 IonicContact OE2-NZ 2.76Å; E638-K728 PolarHBondContact OE2-NZ 2.73Å
639F88.3Confident89.3Confident12 Ų1257.4 Ų57.45%0.05329%0.293CS..  trans-129.395.6-173.2-56.4-65.5000110L635 G641 L643 K728 V731 W732 E735L635-F639 HydrophobicContact CB-CD2 4.13Å; L635-F639 HydrophobicContact CD2-CD2 4.37Å; L635-F639 HydrophobicContact CD2-CE2 4.39Å; L635-F639 PolarHBondContact O-N 2.87Å; F639-G641 PolarHBondContact O-N 3.41Å; F639-G641 VanDerWaalsContact O-N 3.09Å; F639-L643 HydrophobicContact CB-CD1 3.88Å; F639-K728 HydrophobicContact CE2-CG 4.22Å; F639-V731 HydrophobicContact CB-CG1 4.24Å; F639-V731 HydrophobicContact CD1-CG1 3.94Å; F639-V731 HydrophobicContact CD2-CG1 3.8Å; F639-V731 HydrophobicContact CE1-CG1 4.16Å; F639-V731 HydrophobicContact CE2-CG1 4.06Å; F639-V731 HydrophobicContact CG-CG1 3.71Å; F639-V731 HydrophobicContact CZ-CG1 4.22Å; F639-W732 HydrophobicContact CE1-CB 4.38Å; F639-W732 HydrophobicContact CZ-CB 4.02Å; F639-E735 HydrophobicContact CD1-CG 4.33Å; F639-E735 WeakPolarHBondContact CD1-OE1 3.28Å; F639-E735 WeakPolarHBondContact CD1-OE2 3.47Å
640P76.9Confident89.5Confident123 Ų12351.7 Ų51.780%0.79927%0.268SS*.  trans-74.87.8-172.528.6-33.9000115.1
641G80.2Confident89.7Confident40 Ų4049.7 Ų49.741%0.41226%0.259SS..SBendtrans-87163.6179.800000114.7F639 L643F639-G641 PolarHBondContact O-N 3.41Å; F639-G641 VanDerWaalsContact O-N 3.09Å; G641-L643 PolarHBondContact O-N 2.91Å
642D84.8Confident89.7Confident128 Ų12849.7 Ų49.768%0.68426%0.259SS*.  trans-77.7100.1170-170.7-2.5000110.4I644D642-I644 WeakPolarHBondContact OD1-CB 3.32Å; D642-I644 WeakPolarHBondContact OD1-CG2 3.44Å; D642-I644 PolarHBondContact OD1-N 3.37Å; D642-I644 VanDerWaalsContact OD1-N 3.15Å
643L92.1Very high89.6Confident4 Ų448.9 Ų48.92%0.02125%0.253CS..  trans-91.30.7-176.1-61.8175.2000113.3V632 L635 F639 G641 L645 L646 F647 V731V632-L643 HydrophobicContact CG1-CB 4.29Å; V632-L643 HydrophobicContact CG2-CB 4.04Å; L635-L643 HydrophobicContact CB-CD1 4.29Å; L635-L643 HydrophobicContact CD1-CD1 4.41Å; F639-L643 HydrophobicContact CB-CD1 3.88Å; G641-L643 PolarHBondContact O-N 2.91Å; L643-L645 PolarHBondContact O-N 3.15Å; L643-L646 HydrophobicContact CD2-CD2 4.39Å; L643-L646 PolarHBondContact O-N 3.01Å; L643-F647 PolarHBondContact O-N 3.33Å; L643-V731 HydrophobicContact CD1-CG1 3.78Å; L643-V731 HydrophobicContact CD1-CG2 4.14Å; L643-V731 HydrophobicContact CD2-CG1 3.85Å; L643-V731 HydrophobicContact CD2-CG2 4.33Å; L643-V731 HydrophobicContact CG-CG1 4.49Å
644I92.4Very high89.4Confident40 Ų4041.2 Ų41.221%0.20522%0.224CC..Hα-helixtrans-61.7-46.5-169-161.467.2000112.1K629 V632 D642 L646 F647 E648K629-I644 HydrophobicContact CG-CD1 4.47Å; V632-I644 HydrophobicContact CG2-CB 4.4Å; V632-I644 HydrophobicContact CG2-CD1 3.91Å; D642-I644 WeakPolarHBondContact OD1-CB 3.32Å; D642-I644 WeakPolarHBondContact OD1-CG2 3.44Å; D642-I644 PolarHBondContact OD1-N 3.37Å; D642-I644 VanDerWaalsContact OD1-N 3.15Å; I644-L646 VanDerWaalsContact C-N 3.31Å; I644-L646 PolarHBondContact O-N 3.36Å; I644-F647 PolarHBondContact O-N 2.87Å; I644-E648 WeakPolarHBondContact O-CG 3.47Å; I644-E648 PolarHBondContact O-N 3.23Å
645L91.4Very high89Confident44 Ų4439.5 Ų39.523%0.2321%0.211CC..Hα-helixtrans-67.3-33.1-179.6-77.6166.3000112.3L643 C649 E993 C996 R1000L643-L645 PolarHBondContact O-N 3.15Å; L645-C649 PolarHBondContact O-N 3.1Å; L645-C649 VanDerWaalsContact O-N 3.08Å; L645-C649 PolarHBondContact O-SG 2.91Å; L645-E993 HydrophobicContact CD1-CG 3.61Å; L645-C996 HydrophobicContact CB-CB 4.37Å; L645-R1000 VanDerWaalsContact CD2-NH1 3.27Å
646L94.6Very high88.5Confident2 Ų239.7 Ų39.71%0.0121%0.213CC..Hα-helixtrans-67.8-44.5175.1-175.263.2000110.8L643 I644 C649 Y650 L699 F727 F730 V731 M734 I992L643-L646 HydrophobicContact CD2-CD2 4.39Å; L643-L646 PolarHBondContact O-N 3.01Å; I644-L646 VanDerWaalsContact C-N 3.31Å; I644-L646 PolarHBondContact O-N 3.36Å; L646-C649 PolarHBondContact O-N 3.21Å; L646-Y650 WeakPolarHBondContact O-CB 3.41Å; L646-Y650 PolarHBondContact O-N 3.02Å; L646-L699 HydrophobicContact CD1-CD1 3.87Å; L646-F727 HydrophobicContact CB-CZ 4.34Å; L646-F727 HydrophobicContact CD2-CE2 4.39Å; L646-F727 HydrophobicContact CD2-CZ 4.36Å; L646-F727 HydrophobicContact CG-CE2 4.02Å; L646-F727 HydrophobicContact CG-CZ 4.18Å; L646-F730 HydrophobicContact CD1-CE1 4.03Å; L646-V731 HydrophobicContact CD2-CG2 4.1Å; L646-M734 HydrophobicContact CD1-CE 4.45Å; L646-M734 HydrophobicContact CD1-CG 4.36Å; L646-M734 HydrophobicContact CD2-CB 4.18Å; L646-M734 HydrophobicContact CD2-CG 4.16Å; L646-I992 HydrophobicContact CB-CG2 4.08Å; L646-I992 HydrophobicContact CD1-CG2 4.05Å; L646-I992 HydrophobicContact CD2-CG2 4.05Å; L646-I992 HydrophobicContact CG-CG2 4.28Å
647F94.8Very high87.9Confident1 Ų138.5 Ų38.50%0.00420%0.198CC..Hα-helixtrans-63-42.8176.3-176.4-109.7000111.8V631 L643 I644 C649 Y650 R651 H685 F727V631-F647 HydrophobicContact CB-CD2 4.4Å; V631-F647 HydrophobicContact CB-CE1 4.42Å; V631-F647 HydrophobicContact CB-CE2 4.2Å; V631-F647 HydrophobicContact CB-CZ 4.19Å; V631-F647 HydrophobicContact CG1-CD2 3.76Å; V631-F647 HydrophobicContact CG1-CE2 3.77Å; V631-F647 HydrophobicContact CG1-CG 4.25Å; V631-F647 HydrophobicContact CG1-CZ 4.28Å; V631-F647 HydrophobicContact CG2-CE1 4.04Å; V631-F647 HydrophobicContact CG2-CE2 3.87Å; V631-F647 HydrophobicContact CG2-CZ 3.56Å; L643-F647 PolarHBondContact O-N 3.33Å; I644-F647 PolarHBondContact O-N 2.87Å; F647-C649 VanDerWaalsContact C-N 3.33Å; F647-C649 PolarHBondContact O-N 3.37Å; F647-Y650 PolarHBondContact O-N 2.93Å; F647-R651 WeakPolarHBondContact O-CB 3.48Å; F647-R651 PolarHBondContact O-N 3.37Å; F647-H685 AromaticContact CE2-ND1 3.99Å; F647-H685 AromaticContact CZ-CE1 3.99Å; F647-H685 AromaticContact CZ-ND1 3.59Å; F647-F727 VanDerWaalsContact CA-CE2 3.45Å; F647-F727 VanDerWaalsContact CA-CZ 3.42Å; F647-F727 HydrophobicContact CB-CE1 3.79Å; F647-F727 HydrophobicContact CB-CE2 3.96Å; F647-F727 HydrophobicContact CB-CZ 3.47Å; F647-F727 VanDerWaalsContact CB-CZ 3.47Å; F647-F727 HydrophobicContact CD2-CB 4.31Å; F647-F727 AromaticContact CD2-CD1 3.6Å; F647-F727 HydrophobicContact CD2-CD1 3.6Å; F647-F727 AromaticContact CD2-CD2 3.79Å; F647-F727 HydrophobicContact CD2-CD2 3.79Å; F647-F727 AromaticContact CD2-CE1 3.74Å; F647-F727 HydrophobicContact CD2-CE1 3.74Å; F647-F727 AromaticContact CD2-CE2 3.94Å; F647-F727 HydrophobicContact CD2-CE2 3.94Å; F647-F727 AromaticContact CD2-CG 3.62Å; F647-F727 HydrophobicContact CD2-CG 3.62Å; F647-F727 AromaticContact CD2-CZ 3.92Å; F647-F727 HydrophobicContact CD2-CZ 3.92Å; F647-F727 HydrophobicContact CE2-CB 4.38Å; F647-F727 HydrophobicContact CE2-CD1 4.3Å; F647-F727 HydrophobicContact CE2-CG 4.17Å; F647-F727 HydrophobicContact CG-CD1 4.45Å; F647-F727 HydrophobicContact CG-CE1 4.18Å; F647-F727 HydrophobicContact CG-CE2 4.47Å; F647-F727 HydrophobicContact CG-CZ 4.2Å
648E91.7Very high86.9Confident19 Ų1928 Ų289%0.08916%0.159CC..Hα-helixtrans-62.8-40.1177.1-66.5-177.115400111.8R42 I644 D652 R1000R42-E648 IonicContact CZ-OE1 2.7Å; R42-E648 IonicContact NH1-OE1 3.14Å; R42-E648 PolarHBondContact NH1-OE1 3.37Å; I644-E648 WeakPolarHBondContact O-CG 3.47Å; I644-E648 PolarHBondContact O-N 3.23Å; E648-D652 WeakPolarHBondContact O-CB 3.16Å; E648-D652 PolarHBondContact O-N 2.75Å; E648-R1000 IonicContact OE2-CZ 3.9Å; E648-R1000 IonicContact OE2-NH1 3.03Å; E648-R1000 PolarHBondContact OE2-NH1 3.17Å; E648-R1000 VanDerWaalsContact OE2-NH1 3.16Å; E648-R1000 IonicContact OE2-NH2 3Å; E648-R1000 PolarHBondContact OE2-NH2 3.38Å
649C92.7Very high85.4Confident0 Ų025.3 Ų25.30%015%0.145CC..Hα-helixtrans-64.3-42.6174.6-67.20000112.2L645 L646 F647 H653 F999L645-C649 PolarHBondContact O-N 3.1Å; L645-C649 VanDerWaalsContact O-N 3.08Å; L645-C649 PolarHBondContact O-SG 2.91Å; L646-C649 PolarHBondContact O-N 3.21Å; F647-C649 VanDerWaalsContact C-N 3.33Å; F647-C649 PolarHBondContact O-N 3.37Å; C649-H653 VanDerWaalsContact O-CB 3.32Å; C649-H653 WeakPolarHBondContact O-CB 3.29Å; C649-H653 PolarHBondContact O-N 2.94Å; C649-F999 HydrophobicContact CB-CD1 3.94Å; C649-F999 HydrophobicContact CB-CE1 4.2Å
650Y93.8Very high83.8Confident0 Ų031.8 Ų31.80%018%0.176CC..Hα-helixtrans-60.5-49.7177.1-179.2-79.8000111.3L646 F647 Y654 H685 I687 L695 I725 F727 F730L646-Y650 WeakPolarHBondContact O-CB 3.41Å; L646-Y650 PolarHBondContact O-N 3.02Å; F647-Y650 PolarHBondContact O-N 2.93Å; Y650-Y654 WeakPolarHBondContact O-CB 3.47Å; Y650-Y654 PolarHBondContact O-N 2.95Å; Y650-H685 HydrophobicContact CD1-CB 4.28Å; Y650-H685 HydrophobicContact CE1-CB 3.74Å; Y650-H685 WeakPolarHBondContact CE1-O 3.39Å; Y650-H685 PolarHBondContact OH-O 3.17Å; Y650-H685 VanDerWaalsContact OH-O 3.06Å; Y650-I687 HydrophobicContact CD2-CD1 4.1Å; Y650-I687 HydrophobicContact CE1-CG2 4.11Å; Y650-I687 HydrophobicContact CE2-CD1 3.42Å; Y650-I687 VanDerWaalsContact CE2-CD1 3.42Å; Y650-I687 HydrophobicContact CE2-CG1 3.82Å; Y650-I687 HydrophobicContact CE2-CG2 4.19Å; Y650-I687 PolarHBondContact OH-N 3.47Å; Y650-L695 HydrophobicContact CD2-CD2 3.57Å; Y650-L695 HydrophobicContact CE2-CD2 4.27Å; Y650-L695 HydrophobicContact CG-CD2 4.2Å; Y650-I725 PolarHBondContact OH-O 3.3Å; Y650-F727 HydrophobicContact CD1-CD2 4.01Å; Y650-F727 AromaticContact CD2-CD2 3.82Å; Y650-F727 HydrophobicContact CD2-CD2 3.82Å; Y650-F727 HydrophobicContact CD2-CE2 4.46Å; Y650-F727 HydrophobicContact CE1-CB 4.36Å; Y650-F727 HydrophobicContact CE2-CD2 4.32Å; Y650-F727 AromaticContact CG-CD2 3.65Å; Y650-F727 HydrophobicContact CG-CD2 3.65Å; Y650-F727 HydrophobicContact CG-CE2 4.21Å; Y650-F730 HydrophobicContact CD2-CB 4.22Å; Y650-F730 AromaticContact CD2-CD1 3.8Å; Y650-F730 HydrophobicContact CD2-CD1 3.8Å; Y650-F730 HydrophobicContact CD2-CE1 4.35Å; Y650-F730 AromaticContact CD2-CG 3.96Å; Y650-F730 HydrophobicContact CD2-CG 3.96Å; Y650-F730 HydrophobicContact CE2-CB 3.92Å; Y650-F730 HydrophobicContact CE2-CD1 4.34Å; Y650-F730 HydrophobicContact CE2-CG 4.02Å
651R91.5Very high82.9Confident5 Ų528 Ų282%0.01915%0.145CC..Hα-helixtrans-61.7-50.5176175-167.571.6-147-9.9111.8S624 S628 F647 H653 Y654 I655 H685S624-R651 PolarHBondContact OG-NH1 3.39Å; S628-R651 PolarHBondContact OG-NH1 2.94Å; F647-R651 WeakPolarHBondContact O-CB 3.48Å; F647-R651 PolarHBondContact O-N 3.37Å; R651-H653 PolarHBondContact O-N 2.83Å; R651-Y654 WeakPolarHBondContact O-CB 3.39Å; R651-Y654 PolarHBondContact O-N 3.26Å; R651-Y654 VanDerWaalsContact O-N 3.16Å; R651-I655 HydrophobicContact CG-CD1 3.77Å; R651-I655 HydrophobicContact CG-CG1 4.41Å; R651-I655 WeakPolarHBondContact O-CG1 3.38Å; R651-I655 PolarHBondContact O-N 3.41Å; R651-H685 VanDerWaalsContact CG-CE1 3.4Å; R651-H685 WeakPolarHBondContact CG-CE1 3.26Å
652D89.9Confident81.5Confident0 Ų033.5 Ų33.50%016%0.164CC..Hα-helixtrans-61.5-38.8-175.4-66-5.3000109.9I24 H25 E648 L656 R1000 Y1004I24-D652 HydrophobicContact CD1-CB 4Å; H25-D652 IonicContact CE1-OD2 2.77Å; H25-D652 IonicContact NE2-OD1 2.77Å; H25-D652 IonicContact NE2-OD2 2.85Å; H25-D652 PolarHBondContact NE2-OD2 3.31Å; E648-D652 WeakPolarHBondContact O-CB 3.16Å; E648-D652 PolarHBondContact O-N 2.75Å; D652-L656 VanDerWaalsContact O-CB 3.3Å; D652-L656 WeakPolarHBondContact O-CB 3.49Å; D652-L656 WeakPolarHBondContact O-CG 3.33Å; D652-L656 PolarHBondContact O-N 2.98Å; D652-R1000 IonicContact OD2-NH2 2.63Å; D652-Y1004 WeakPolarHBondContact CB-OH 3.44Å; D652-Y1004 PolarHBondContact OD2-OH 3.4Å
653H88.8Confident79.9Confident8 Ų834.9 Ų34.94%0.03717%0.166CC..Hα-helixtrans-67.7-43.1173.7-172.4-94.8000113C649 R651 I655 S657 Q691 S694 L695 F999C649-H653 VanDerWaalsContact O-CB 3.32Å; C649-H653 WeakPolarHBondContact O-CB 3.29Å; C649-H653 PolarHBondContact O-N 2.94Å; R651-H653 PolarHBondContact O-N 2.83Å; H653-I655 VanDerWaalsContact C-N 3.3Å; H653-I655 PolarHBondContact O-N 3.43Å; H653-S657 WeakPolarHBondContact O-CB 3.34Å; H653-S657 PolarHBondContact O-N 2.9Å; H653-S657 PolarHBondContact O-OG 3.3Å; H653-Q691 PolarHBondContact CE1-O 2.93Å; H653-S694 WeakPolarHBondContact NE2-CB 3.32Å; H653-S694 PolarHBondContact NE2-OG 2.91Å; H653-L695 HydrophobicContact CB-CD1 3.93Å; H653-F999 HydrophobicContact CB-CE1 4.36Å; H653-F999 HydrophobicContact CB-CZ 4.26Å; H653-F999 AromaticContact CD2-CZ 3.7Å
654Y87.6Confident78.1Confident4 Ų439.1 Ų39.12%0.01619%0.185CC..Hα-helixtrans-53.7-47.4174.1168.8-102.2000111.5D75 D76 C77 Y78 Y650 R651 S657 H685 R686 I687 Q691D75-Y654 PolarHBondContact O-OH 3.04Å; D76-Y654 WeakPolarHBondContact CA-OH 3.32Å; C77-Y654 HydrophobicContact CB-CE1 4.39Å; C77-Y654 HydrophobicContact CB-CE2 4.34Å; C77-Y654 WeakPolarHBondContact CB-OH 3.43Å; C77-Y654 PolarHBondContact N-OH 2.7Å; C77-Y654 VanDerWaalsContact SG-CE2 3.51Å; C77-Y654 VanDerWaalsContact SG-CZ 3.59Å; C77-Y654 PolarHBondContact SG-OH 2.86Å; Y78-Y654 HydrophobicContact CE2-CE2 4.25Å; Y650-Y654 WeakPolarHBondContact O-CB 3.47Å; Y650-Y654 PolarHBondContact O-N 2.95Å; R651-Y654 WeakPolarHBondContact O-CB 3.39Å; R651-Y654 PolarHBondContact O-N 3.26Å; R651-Y654 VanDerWaalsContact O-N 3.16Å; Y654-S657 PolarHBondContact O-OG 3.5Å; Y654-H685 HydrophobicContact CD1-CB 4.01Å; Y654-H685 AromaticContact CD1-CD2 3.48Å; Y654-H685 VanDerWaalsContact CD1-CD2 3.48Å; Y654-H685 WeakPolarHBondContact CD1-CD2 3.49Å; Y654-H685 AromaticContact CD1-CG 3.84Å; Y654-H685 HydrophobicContact CD2-CB 4.43Å; Y654-H685 HydrophobicContact CE1-CB 4.22Å; Y654-H685 AromaticContact CE1-CD2 3.34Å; Y654-H685 WeakPolarHBondContact CE1-CD2 3.4Å; Y654-H685 HydrophobicContact CG-CB 4.1Å; Y654-R686 WeakPolarHBondContact CD2-O 3.35Å; Y654-R686 WeakPolarHBondContact CE2-O 3.39Å; Y654-I687 HydrophobicContact CD2-CG2 4.02Å; Y654-Q691 PolarHBondContact O-NE2 2.95Å; Y654-Q691 VanDerWaalsContact O-NE2 3.15Å
655I83.3Confident76.3Confident8 Ų842.4 Ų42.44%0.04120%0.202CC..Hα-helixtrans-71.5-51-178.3-63.5172.6000111.6I24 Q71 L72 R651 H653 S657 K658I24-I655 HydrophobicContact CG2-CG2 3.92Å; Q71-I655 HydrophobicContact CB-CG2 3.7Å; Q71-I655 HydrophobicContact CG-CG2 4.48Å; L72-I655 HydrophobicContact CD2-CD1 3.66Å; R651-I655 HydrophobicContact CG-CD1 3.77Å; R651-I655 HydrophobicContact CG-CG1 4.41Å; R651-I655 WeakPolarHBondContact O-CG1 3.38Å; R651-I655 PolarHBondContact O-N 3.41Å; H653-I655 VanDerWaalsContact C-N 3.3Å; H653-I655 PolarHBondContact O-N 3.43Å; I655-S657 PolarHBondContact O-N 3.31Å; I655-K658 WeakPolarHBondContact O-CB 3.31Å; I655-K658 PolarHBondContact O-N 3.01Å
656L80.9Confident74.5Confident6 Ų644.3 Ų44.33%0.03122%0.224CC..Hα-helixtrans-71.4-34.7-170.7-67.6171.3000112.9N6 P22 I24 D652 K658 Y659 L1003 Y1004N6-L656 HydrophobicContact CB-CD2 4.1Å; P22-L656 HydrophobicContact CB-CD1 4.44Å; P22-L656 HydrophobicContact CB-CD2 4.35Å; P22-L656 HydrophobicContact CG-CD1 4.38Å; I24-L656 HydrophobicContact CD1-CD1 4.06Å; I24-L656 HydrophobicContact CD1-CD2 4.25Å; I24-L656 HydrophobicContact CD1-CG 4.02Å; I24-L656 HydrophobicContact CG1-CD2 4.41Å; D652-L656 VanDerWaalsContact O-CB 3.3Å; D652-L656 WeakPolarHBondContact O-CB 3.49Å; D652-L656 WeakPolarHBondContact O-CG 3.33Å; D652-L656 PolarHBondContact O-N 2.98Å; L656-K658 PolarHBondContact O-N 3.48Å; L656-Y659 PolarHBondContact O-N 3.23Å; L656-L1003 HydrophobicContact CD1-CD2 4.26Å; L656-Y1004 HydrophobicContact CD1-CE1 3.78Å
657S77Confident72.5Confident13 Ų1345.5 Ų45.59%0.09123%0.232CC..Hα-helixtrans-68-18.317962.10000113.9H653 Y654 I655 Y659 E660 Q691H653-S657 WeakPolarHBondContact O-CB 3.34Å; H653-S657 PolarHBondContact O-N 2.9Å; H653-S657 PolarHBondContact O-OG 3.3Å; Y654-S657 PolarHBondContact O-OG 3.5Å; I655-S657 PolarHBondContact O-N 3.31Å; S657-Y659 VanDerWaalsContact C-N 3.27Å; S657-Y659 PolarHBondContact O-N 3.04Å; S657-E660 PolarHBondContact O-N 2.89Å; S657-Q691 WeakPolarHBondContact OG-CG 3.35Å; S657-Q691 PolarHBondContact OG-NE2 3.39Å
658K64.7Low70.3Confident29 Ų2947.1 Ų47.113%0.12625%0.246CC..G310 helixtrans-58.6-39.2177.5-172.7-177.1-173.5-1800112.1C77 I655 L656 R661C77-K658 HydrophobicContact CB-CD 4.11Å; I655-K658 WeakPolarHBondContact O-CB 3.31Å; I655-K658 PolarHBondContact O-N 3.01Å; L656-K658 PolarHBondContact O-N 3.48Å; K658-R661 PolarHBondContact O-N 3.43Å
659Y56.5Low68.1Low46 Ų4656.2 Ų56.218%0.1829%0.285CS..G310 helixtrans-82.4-17.2-171.2-72.6-87.7000114N6 Y67 Q71 L656 S657 R661N6-Y659 VanDerWaalsContact ND2-CB 3.27Å; N6-Y659 WeakPolarHBondContact ND2-CB 3.13Å; N6-Y659 VanDerWaalsContact OD1-CD2 3.3Å; N6-Y659 WeakPolarHBondContact OD1-CD2 3.1Å; Y67-Y659 HydrophobicContact CE1-CE1 4.11Å; Y67-Y659 VanDerWaalsContact OH-CE1 3.29Å; Y67-Y659 WeakPolarHBondContact OH-CE1 3.14Å; Y67-Y659 PolarHBondContact OH-OH 3.41Å; Q71-Y659 VanDerWaalsContact CD-CE2 3.5Å; Q71-Y659 VanDerWaalsContact CD-OH 3.28Å; Q71-Y659 VanDerWaalsContact NE2-CZ 3.29Å; Q71-Y659 PolarHBondContact NE2-OH 3.26Å; Q71-Y659 VanDerWaalsContact OE1-CE2 3.3Å; L656-Y659 PolarHBondContact O-N 3.23Å; S657-Y659 VanDerWaalsContact C-N 3.27Å; S657-Y659 PolarHBondContact O-N 3.04Å; Y659-R661 PolarHBondContact O-N 2.96Å
660E54.6Low66Low148 Ų14861.5 Ų61.569%0.69232%0.318SS*.G310 helixtrans-78.4-3.5173.2-62.7-168.5155.400112.4S657S657-E660 PolarHBondContact O-N 2.89Å
661R58Low63.9Low43 Ų4362.6 Ų62.616%0.16232%0.323CS..  trans-109.9120.9-172.8-62.5175.8-179-163.1-4.1111.3K658 Y659 D688 R690K658-R661 PolarHBondContact O-N 3.43Å; Y659-R661 PolarHBondContact O-N 2.96Å; R661-D688 IonicContact CZ-OD1 2.78Å; R661-D688 IonicContact CZ-OD2 3.3Å; R661-D688 VanDerWaalsContact NH1-CG 3.25Å; R661-D688 IonicContact NH1-OD1 3.77Å; R661-D688 PolarHBondContact NH1-OD1 2.82Å; R661-D688 IonicContact NH1-OD2 2.71Å; R661-D688 PolarHBondContact NH1-OD2 3.31Å; R661-D688 IonicContact NH2-OD1 3.53Å; R661-D688 PolarHBondContact NH2-OD1 3.21Å; R661-D688 IonicContact NH2-OD2 3.03Å; R661-R690 VanDerWaalsContact NH2-CB 3.32Å
662I50.8Low61.9Low156 Ų15669 Ų6980%0.836%0.358SS*.SBendtrans-75.4-29.5174-58.1173000110.7
663H50.6Low60.1Low157 Ų15775.4 Ų75.473%0.72739%0.387SS*.SBendtrans-125.1129-179.4-58.3-59.2000110.2
664Q55.2Low58.3Low92 Ų9276.1 Ų76.143%0.4339%0.392SS..PPolyproline II helixtrans-84.8133.5169.1-69.1-176.4-38.600108.7C77 A666C77-Q664 PolarHBondContact O-NE2 2.87Å; C77-Q664 VanDerWaalsContact O-NE2 3.13Å; Q664-A666 PolarHBondContact O-N 3.47Å
665I54.1Low56.5Low109 Ų10978.1 Ų78.156%0.55940%0.403SS*.PPolyproline II helixtrans-75.2119.1164.4-61171.9000105.3
666A53.3Low55.4Low84 Ų8479.6 Ų79.669%0.69441%0.411SS*.PPolyproline II helixtrans-66.3130.2172.800000108.3Q664Q664-A666 PolarHBondContact O-N 3.47Å
667P52.7Low54.3Low27 Ų2783.3 Ų83.318%0.17544%0.436CS..PPolyproline II helixtrans-56157.7172.2-21.931.5000111.1Y78 H671 L724Y78-P667 HydrophobicContact CD1-CG 3.92Å; Y78-P667 HydrophobicContact CD2-CG 4.16Å; Y78-P667 HydrophobicContact CG-CG 3.54Å; P667-H671 HydrophobicContact CB-CB 3.57Å; P667-H671 WeakPolarHBondContact CB-CD2 3.31Å; P667-H671 HydrophobicContact CG-CB 4.03Å; P667-H671 WeakPolarHBondContact CG-CD2 3.39Å; P667-L724 HydrophobicContact CB-CD1 4.01Å; P667-L724 HydrophobicContact CG-CD1 4.24Å
668A49Very low53.7Low36 Ų3688.4 Ų88.430%0.29846%0.462SS..PPolyproline II helixtrans-56.8154.1172.300000111.2T670 H671A668-T670 PolarHBondContact O-N 2.86Å; A668-H671 PolarHBondContact O-N 3.21Å
669K46.1Very low54.1Low210 Ų21089.4 Ų89.491%0.91347%0.465SS*.THydrogen-bonded Turntrans-47.8-9.1-165.3-77.8178.9174.6177.60118.3
670T47.8Very low55.4Low111 Ų11189.8 Ų89.868%0.68147%0.473SS*.THydrogen-bonded Turntrans-91.1-1.6-176.239.60000114.7A668 N672A668-T670 PolarHBondContact O-N 2.86Å; T670-N672 VanDerWaalsContact C-N 3.26Å; T670-N672 PolarHBondContact O-N 3.01Å; T670-N672 VanDerWaalsContact O-N 3.08Å
671H49.8Very low56.9Low22 Ų2283.8 Ų83.810%0.10245%0.449CS..  trans-7811.3-169.5-159.8-74000116.4D76 Y78 T79 P667 A668 E673 L724D76-H671 IonicContact OD1-CE1 2.7Å; D76-H671 PolarHBondContact OD1-CE1 3.12Å; D76-H671 IonicContact OD1-NE2 2.66Å; D76-H671 PolarHBondContact OD1-NE2 3.43Å; D76-H671 IonicContact OD2-CE1 3.28Å; D76-H671 PolarHBondContact OD2-CE1 3.41Å; D76-H671 VanDerWaalsContact OD2-CE1 3.29Å; D76-H671 IonicContact OD2-NE2 3.63Å; Y78-H671 AromaticContact CD2-NE2 3.91Å; T79-H671 WeakPolarHBondContact CG2-ND1 3.49Å; T79-H671 WeakPolarHBondContact CG2-O 3.33Å; P667-H671 HydrophobicContact CB-CB 3.57Å; P667-H671 WeakPolarHBondContact CB-CD2 3.31Å; P667-H671 HydrophobicContact CG-CB 4.03Å; P667-H671 WeakPolarHBondContact CG-CD2 3.39Å; A668-H671 PolarHBondContact O-N 3.21Å; H671-E673 VanDerWaalsContact C-N 3.26Å; H671-E673 PolarHBondContact O-N 3.47Å; H671-L724 WeakPolarHBondContact CD2-CD1 3.46Å; H671-L724 WeakPolarHBondContact NE2-CD1 3.45Å
672N49.2Very low58.4Low141 Ų14184.1 Ų84.175%0.75445%0.45SS*.  trans-82.510.2-173.6-74.5-13.8000115.2T670T670-N672 VanDerWaalsContact C-N 3.26Å; T670-N672 PolarHBondContact O-N 3.01Å; T670-N672 VanDerWaalsContact O-N 3.08Å
673E51.5Low60Low134 Ų13477.7 Ų77.763%0.62642%0.417SS*.  trans-99.935.9-179.7-63.6-168.5-175.300114.1H671 N675 N676H671-E673 VanDerWaalsContact C-N 3.26Å; H671-E673 PolarHBondContact O-N 3.47Å; E673-N675 PolarHBondContact O-N 3.13Å; E673-N675 VanDerWaalsContact O-N 3.08Å; E673-N676 HydrophobicContact CB-CB 4.5Å; E673-N676 PolarHBondContact O-N 3.41Å; E673-N676 VanDerWaalsContact O-N 3.16Å; E673-N676 PolarHBondContact OE2-ND2 2.96Å
674T50.8Low61.5Low23 Ų2371.2 Ų71.214%0.14139%0.389CS..THydrogen-bonded Turntrans-70.2-9.2-169.247.70000116.8D76 T79D76-T674 HydrophobicContact CB-CG2 3.57Å; T79-T674 WeakPolarHBondContact CB-OG1 3.42Å; T79-T674 HydrophobicContact CG2-CG2 3.18Å; T79-T674 WeakPolarHBondContact OG1-CB 3.39Å; T79-T674 VanDerWaalsContact OG1-CG2 3.24Å; T79-T674 WeakPolarHBondContact OG1-CG2 3.07Å; T79-T674 PolarHBondContact OG1-OG1 3.44Å
675N51Low63Low46 Ų4667.1 Ų67.125%0.24637%0.37CS..THydrogen-bonded Turntrans-116.852.1168.7-77.3-7.3000111V354 P393 E673 P677V354-N675 HydrophobicContact CG2-CB 4.09Å; P393-N675 PolarHBondContact O-ND2 3.1Å; E673-N675 PolarHBondContact O-N 3.13Å; E673-N675 VanDerWaalsContact O-N 3.08Å; N675-P677 VanDerWaalsContact O-CD 3.32Å; N675-P677 WeakPolarHBondContact O-CD 3.32Å
676N58.9Low64.5Low39 Ų3963 Ų6321%0.20935%0.347CS..  trans-93104.3165.9-170.1-12.8000108.6E673 N678 R679E673-N676 HydrophobicContact CB-CB 4.5Å; E673-N676 PolarHBondContact O-N 3.41Å; E673-N676 VanDerWaalsContact O-N 3.16Å; E673-N676 PolarHBondContact OE2-ND2 2.96Å; N676-N678 PolarHBondContact O-N 3.42Å; N676-N678 VanDerWaalsContact OD1-CB 3.26Å; N676-N678 WeakPolarHBondContact OD1-CB 3.28Å; N676-N678 PolarHBondContact OD1-N 3.34Å; N676-N678 PolarHBondContact OD1-ND2 3.36Å; N676-R679 WeakPolarHBondContact O-CB 3.38Å; N676-R679 PolarHBondContact O-N 3.3Å
677P59.5Low66.2Low84 Ų8459 Ų5955%0.54531%0.314SS..THydrogen-bonded Turntrans-68.6-10.4176.230-32.9000112.8F353 N675F353-P677 HydrophobicContact CD1-CG 3.83Å; F353-P677 HydrophobicContact CE1-CG 3.02Å; F353-P677 HydrophobicContact CE2-CG 4.33Å; F353-P677 HydrophobicContact CZ-CG 3.31Å; N675-P677 VanDerWaalsContact O-CD 3.32Å; N675-P677 WeakPolarHBondContact O-CD 3.32Å
678N63.5Low67.8Low119 Ų11958 Ų5864%0.63631%0.308SS*.THydrogen-bonded Turntrans-81.2-2167.7-56.1-54.7000112.6F353 N676F353-N678 WeakPolarHBondContact CE2-ND2 3.22Å; N676-N678 PolarHBondContact O-N 3.42Å; N676-N678 VanDerWaalsContact OD1-CB 3.26Å; N676-N678 WeakPolarHBondContact OD1-CB 3.28Å; N676-N678 PolarHBondContact OD1-N 3.34Å; N676-N678 PolarHBondContact OD1-ND2 3.36Å
679R74.1Confident69.7Low51 Ų5158.2 Ų58.219%0.19231%0.309CS..SBendtrans-57.9129.1173.4-175.5178.1-163.3179.511.5108.9D76 N676 D683D76-R679 IonicContact OD2-CZ 2.65Å; D76-R679 IonicContact OD2-NH1 3.04Å; D76-R679 PolarHBondContact OD2-NH1 3.3Å; D76-R679 IonicContact OD2-NH2 3.75Å; D76-R679 PolarHBondContact OD2-NH2 3.04Å; N676-R679 WeakPolarHBondContact O-CB 3.38Å; N676-R679 PolarHBondContact O-N 3.3Å; R679-D683 HydrophobicContact CG-CB 3.8Å; R679-D683 IonicContact CZ-OD2 2.98Å; R679-D683 VanDerWaalsContact CZ-OD2 3.3Å; R679-D683 PolarHBondContact NE-O 2.94Å; R679-D683 VanDerWaalsContact NE-O 3.09Å; R679-D683 IonicContact NE-OD2 3.38Å; R679-D683 PolarHBondContact NE-OD2 2.91Å; R679-D683 PolarHBondContact NH1-O 2.94Å; R679-D683 PolarHBondContact NH2-O 2.86Å; R679-D683 IonicContact NH2-OD2 3.52Å; R679-D683 PolarHBondContact NH2-OD2 2.91Å
680P83.1Confident71.7Confident54 Ų5455.7 Ų55.735%0.35129%0.294SS..  trans-58142.3177.1-22.932.5000111.5Y682 D683P680-Y682 HydrophobicContact CB-CD1 3.9Å; P680-Y682 HydrophobicContact CB-CD2 4.18Å; P680-Y682 HydrophobicContact CB-CE1 3.41Å; P680-Y682 VanDerWaalsContact CB-CE1 3.41Å; P680-Y682 HydrophobicContact CB-CE2 3.73Å; P680-Y682 HydrophobicContact CB-CG 4.27Å; P680-Y682 HydrophobicContact CG-CE1 4.32Å; P680-Y682 HydrophobicContact CG-CE2 4.21Å; P680-Y682 PolarHBondContact O-N 3.26Å; P680-Y682 VanDerWaalsContact O-N 3.1Å; P680-D683 WeakPolarHBondContact O-CB 3.49Å; P680-D683 PolarHBondContact O-N 3.11Å
681A85.7Confident73.7Confident22 Ų2250.5 Ų50.518%0.18226%0.262CS..G310 helixtrans-55.2-35.3-176.700000113.6E630 V631 D683 V684E630-A681 HydrophobicContact CG-CB 4.04Å; V631-A681 HydrophobicContact CG2-CB 4.27Å; V631-A681 WeakPolarHBondContact CG2-O 3.06Å; A681-D683 PolarHBondContact O-N 2.91Å; A681-V684 WeakPolarHBondContact O-CG2 3.39Å; A681-V684 PolarHBondContact O-N 2.61Å
682Y89.1Confident75.7Confident50 Ų5049.5 Ų49.520%0.19626%0.257CS..G310 helixtrans-70.8-8.9177.557.5-105.3000115L635 P680 F727 K728L635-Y682 HydrophobicContact CD2-CD1 3.52Å; L635-Y682 HydrophobicContact CD2-CE1 4.15Å; L635-Y682 HydrophobicContact CD2-CG 4Å; L635-Y682 HydrophobicContact CG-CD1 4.19Å; P680-Y682 HydrophobicContact CB-CD1 3.9Å; P680-Y682 HydrophobicContact CB-CD2 4.18Å; P680-Y682 HydrophobicContact CB-CE1 3.41Å; P680-Y682 VanDerWaalsContact CB-CE1 3.41Å; P680-Y682 HydrophobicContact CB-CE2 3.73Å; P680-Y682 HydrophobicContact CB-CG 4.27Å; P680-Y682 HydrophobicContact CG-CE1 4.32Å; P680-Y682 HydrophobicContact CG-CE2 4.21Å; P680-Y682 PolarHBondContact O-N 3.26Å; P680-Y682 VanDerWaalsContact O-N 3.1Å; Y682-F727 VanDerWaalsContact O-CB 3.31Å; Y682-F727 WeakPolarHBondContact O-CB 3.47Å; Y682-F727 PolarHBondContact O-N 2.91Å; Y682-K728 HydrophobicContact CD1-CB 4.38Å; Y682-K728 HydrophobicContact CD1-CD 4.45Å; Y682-K728 HydrophobicContact CD2-CB 3.51Å; Y682-K728 HydrophobicContact CD2-CD 4.38Å; Y682-K728 HydrophobicContact CE1-CD 4.02Å; Y682-K728 HydrophobicContact CE2-CB 3.86Å; Y682-K728 HydrophobicContact CE2-CD 3.95Å; Y682-K728 HydrophobicContact CG-CB 3.79Å
683D85.8Confident77.8Confident20 Ų2044.9 Ų44.911%0.10723%0.232CC..G310 helixtrans-95-4.2-179.3-15651.2000112R679 P680 A681 H685 R686 N726R679-D683 HydrophobicContact CG-CB 3.8Å; R679-D683 IonicContact CZ-OD2 2.98Å; R679-D683 VanDerWaalsContact CZ-OD2 3.3Å; R679-D683 PolarHBondContact NE-O 2.94Å; R679-D683 VanDerWaalsContact NE-O 3.09Å; R679-D683 IonicContact NE-OD2 3.38Å; R679-D683 PolarHBondContact NE-OD2 2.91Å; R679-D683 PolarHBondContact NH1-O 2.94Å; R679-D683 PolarHBondContact NH2-O 2.86Å; R679-D683 IonicContact NH2-OD2 3.52Å; R679-D683 PolarHBondContact NH2-OD2 2.91Å; P680-D683 WeakPolarHBondContact O-CB 3.49Å; P680-D683 PolarHBondContact O-N 3.11Å; A681-D683 PolarHBondContact O-N 2.91Å; D683-H685 PolarHBondContact O-N 3.08Å; D683-H685 VanDerWaalsContact O-N 3.09Å; D683-R686 VanDerWaalsContact OD1-CD 3.29Å; D683-R686 WeakPolarHBondContact OD1-CD 3.22Å; D683-R686 IonicContact OD1-NE 3.42Å; D683-R686 PolarHBondContact OD1-NE 2.93Å; D683-N726 WeakPolarHBondContact OD1-CB 3.39Å; D683-N726 PolarHBondContact OD1-ND2 3.29Å
684V81.7Confident79.6Confident22 Ų2240.3 Ų40.313%0.13322%0.215CC..SBendtrans-50.6-38.3-179.3169.90000112.8D75 T627 A681D75-V684 CarbonylContact C-O 3.59Å; D75-V684 HydrophobicContact CB-CG1 4.1Å; T627-V684 HydrophobicContact CG2-CG1 4.35Å; T627-V684 HydrophobicContact CG2-CG2 4.48Å; A681-V684 WeakPolarHBondContact O-CG2 3.39Å; A681-V684 PolarHBondContact O-N 2.61Å
685H85.9Confident81.6Confident6 Ų639.2 Ų39.23%0.02821%0.208CC..SBendtrans-120.2128.6173.8-56.1123.2000109.1F647 Y650 R651 Y654 D683F647-H685 AromaticContact CE2-ND1 3.99Å; F647-H685 AromaticContact CZ-CE1 3.99Å; F647-H685 AromaticContact CZ-ND1 3.59Å; Y650-H685 HydrophobicContact CD1-CB 4.28Å; Y650-H685 HydrophobicContact CE1-CB 3.74Å; Y650-H685 WeakPolarHBondContact CE1-O 3.39Å; Y650-H685 PolarHBondContact OH-O 3.17Å; Y650-H685 VanDerWaalsContact OH-O 3.06Å; R651-H685 VanDerWaalsContact CG-CE1 3.4Å; R651-H685 WeakPolarHBondContact CG-CE1 3.26Å; Y654-H685 HydrophobicContact CD1-CB 4.01Å; Y654-H685 AromaticContact CD1-CD2 3.48Å; Y654-H685 VanDerWaalsContact CD1-CD2 3.48Å; Y654-H685 WeakPolarHBondContact CD1-CD2 3.49Å; Y654-H685 AromaticContact CD1-CG 3.84Å; Y654-H685 HydrophobicContact CD2-CB 4.43Å; Y654-H685 HydrophobicContact CE1-CB 4.22Å; Y654-H685 AromaticContact CE1-CD2 3.34Å; Y654-H685 WeakPolarHBondContact CE1-CD2 3.4Å; Y654-H685 HydrophobicContact CG-CB 4.1Å; D683-H685 PolarHBondContact O-N 3.08Å; D683-H685 VanDerWaalsContact O-N 3.09Å
686R86.1Confident83.7Confident22 Ų2237 Ų378%0.08320%0.197CC..EExtended strand (participates in β ladder)trans-123.3136.3172.8-54.2-177.373.1175.96.6110.7Y654 D683 D720 D722 L724 I725 N726Y654-R686 WeakPolarHBondContact CD2-O 3.35Å; Y654-R686 WeakPolarHBondContact CE2-O 3.39Å; D683-R686 VanDerWaalsContact OD1-CD 3.29Å; D683-R686 WeakPolarHBondContact OD1-CD 3.22Å; D683-R686 IonicContact OD1-NE 3.42Å; D683-R686 PolarHBondContact OD1-NE 2.93Å; R686-D720 IonicContact NH2-OD2 3.87Å; R686-D720 PolarHBondContact NH2-OD2 3.18Å; R686-D722 IonicContact CZ-OD1 3.57Å; R686-D722 IonicContact CZ-OD2 3.7Å; R686-D722 IonicContact NH1-OD2 2.86Å; R686-D722 PolarHBondContact NH1-OD2 2.63Å; R686-D722 IonicContact NH2-OD1 3.55Å; R686-D722 PolarHBondContact NH2-OD1 2.68Å; R686-D722 IonicContact NH2-OD2 2.61Å; R686-D722 PolarHBondContact NH2-OD2 2.96Å; R686-L724 HydrophobicContact CB-CB 3.95Å; R686-L724 HydrophobicContact CB-CD1 4.4Å; R686-L724 HydrophobicContact CB-CD2 4.46Å; R686-L724 PolarHBondContact NH2-O 3.43Å; R686-I725 WeakPolarHBondContact CA-O 3.49Å; R686-N726 HydrophobicContact CG-CB 4.13Å
687I88.3Confident85.3Confident0 Ų039.7 Ų39.70%021%0.208CC..EExtended strand (participates in β ladder)trans-108.6139-175.360.3178.4000111.7Y650 Y654 Q691 F692 L695 I725Y650-I687 HydrophobicContact CD2-CD1 4.1Å; Y650-I687 HydrophobicContact CE1-CG2 4.11Å; Y650-I687 HydrophobicContact CE2-CD1 3.42Å; Y650-I687 VanDerWaalsContact CE2-CD1 3.42Å; Y650-I687 HydrophobicContact CE2-CG1 3.82Å; Y650-I687 HydrophobicContact CE2-CG2 4.19Å; Y650-I687 PolarHBondContact OH-N 3.47Å; Y654-I687 HydrophobicContact CD2-CG2 4.02Å; I687-Q691 HydrophobicContact CB-CB 3.69Å; I687-Q691 HydrophobicContact CG2-CB 4.02Å; I687-Q691 HydrophobicContact CG2-CG 4.43Å; I687-F692 HydrophobicContact CD1-CB 3.97Å; I687-F692 HydrophobicContact CD1-CD2 4.03Å; I687-F692 HydrophobicContact CD1-CG 4.47Å; I687-F692 HydrophobicContact CG1-CB 4.22Å; I687-L695 HydrophobicContact CD1-CD2 3.8Å; I687-I725 HydrophobicContact CG1-CB 4.21Å; I687-I725 PolarHBondContact N-O 2.93Å; I687-I725 PolarHBondContact O-N 3.1Å
688D87.4Confident86.7Confident7 Ų737 Ų374%0.03720%0.195CC..  trans-79.8176.4174.676.34000112.5Y78 R661 R690 Q691 F692 F714 L724Y78-D688 PolarHBondContact OH-N 3.31Å; R661-D688 IonicContact CZ-OD1 2.78Å; R661-D688 IonicContact CZ-OD2 3.3Å; R661-D688 VanDerWaalsContact NH1-CG 3.25Å; R661-D688 IonicContact NH1-OD1 3.77Å; R661-D688 PolarHBondContact NH1-OD1 2.82Å; R661-D688 IonicContact NH1-OD2 2.71Å; R661-D688 PolarHBondContact NH1-OD2 3.31Å; R661-D688 IonicContact NH2-OD1 3.53Å; R661-D688 PolarHBondContact NH2-OD1 3.21Å; R661-D688 IonicContact NH2-OD2 3.03Å; D688-R690 VanDerWaalsContact C-N 3.27Å; D688-R690 PolarHBondContact O-N 3.1Å; D688-R690 PolarHBondContact OD1-N 2.86Å; D688-R690 VanDerWaalsContact OD1-N 3.08Å; D688-Q691 PolarHBondContact O-N 3.43Å; D688-Q691 WeakPolarHBondContact OD1-CB 3.42Å; D688-Q691 PolarHBondContact OD1-N 2.82Å; D688-F692 VanDerWaalsContact O-CB 3.26Å; D688-F692 WeakPolarHBondContact O-CB 3.23Å; D688-F692 PolarHBondContact O-N 3.06Å; D688-F714 VanDerWaalsContact C-CE2 3.49Å; D688-L724 HydrophobicContact CB-CD2 4.21Å
689A88.5Confident88.1Confident39 Ų3931.3 Ų31.332%0.32216%0.164SC..Hα-helixtrans-55.7-38.7-177.800000113.3N693 F714A689-N693 WeakPolarHBondContact O-CB 3.48Å; A689-N693 PolarHBondContact O-N 3.5Å; A689-N693 PolarHBondContact O-ND2 3.4Å; A689-F714 HydrophobicContact CB-CD1 4Å; A689-F714 HydrophobicContact CB-CD2 4.12Å; A689-F714 HydrophobicContact CB-CE1 3.84Å; A689-F714 HydrophobicContact CB-CE2 3.93Å; A689-F714 HydrophobicContact CB-CG 4.13Å; A689-F714 HydrophobicContact CB-CZ 3.79Å
690R87.6Confident89Confident158 Ų15829.2 Ų29.260%0.59616%0.157SC*.Hα-helixtrans-74.5-39.3-178.4177.6178.9179.8176.1-0.7111.4R661 D688 S694R661-R690 VanDerWaalsContact NH2-CB 3.32Å; D688-R690 VanDerWaalsContact C-N 3.27Å; D688-R690 PolarHBondContact O-N 3.1Å; D688-R690 PolarHBondContact OD1-N 2.86Å; D688-R690 VanDerWaalsContact OD1-N 3.08Å; R690-S694 PolarHBondContact O-N 3.19Å
691Q89.5Confident89.3Confident2 Ų228.3 Ų28.31%0.00915%0.151CC..Hα-helixtrans-63.9-50.4174.2-95.4159-15.100109.6Y78 H653 Y654 S657 I687 D688 N693 S694 L695Y78-Q691 PolarHBondContact OH-OE1 2.57Å; H653-Q691 PolarHBondContact CE1-O 2.93Å; Y654-Q691 PolarHBondContact O-NE2 2.95Å; Y654-Q691 VanDerWaalsContact O-NE2 3.15Å; S657-Q691 WeakPolarHBondContact OG-CG 3.35Å; S657-Q691 PolarHBondContact OG-NE2 3.39Å; I687-Q691 HydrophobicContact CB-CB 3.69Å; I687-Q691 HydrophobicContact CG2-CB 4.02Å; I687-Q691 HydrophobicContact CG2-CG 4.43Å; D688-Q691 PolarHBondContact O-N 3.43Å; D688-Q691 WeakPolarHBondContact OD1-CB 3.42Å; D688-Q691 PolarHBondContact OD1-N 2.82Å; Q691-N693 VanDerWaalsContact C-N 3.34Å; Q691-N693 PolarHBondContact O-N 3.07Å; Q691-S694 PolarHBondContact O-N 2.96Å; Q691-L695 WeakPolarHBondContact O-CB 3.2Å; Q691-L695 PolarHBondContact O-N 3.24Å
692F93.6Very high89.5Confident0 Ų027.7 Ų27.70%014%0.144CC..Hα-helixtrans-52.8-50.5176.7-179.2-84.9000111.8I687 D688 S694 L695 F696 G710 C713 F714 L717 I725 F730 L733I687-F692 HydrophobicContact CD1-CB 3.97Å; I687-F692 HydrophobicContact CD1-CD2 4.03Å; I687-F692 HydrophobicContact CD1-CG 4.47Å; I687-F692 HydrophobicContact CG1-CB 4.22Å; D688-F692 VanDerWaalsContact O-CB 3.26Å; D688-F692 WeakPolarHBondContact O-CB 3.23Å; D688-F692 PolarHBondContact O-N 3.06Å; F692-S694 PolarHBondContact O-N 3.23Å; F692-L695 PolarHBondContact O-N 3.34Å; F692-F696 HydrophobicContact CD1-CB 4.23Å; F692-F696 HydrophobicContact CE1-CB 3.96Å; F692-F696 HydrophobicContact CE1-CD2 4.02Å; F692-F696 HydrophobicContact CE1-CG 4.03Å; F692-F696 HydrophobicContact CZ-CB 4.41Å; F692-F696 AromaticContact CZ-CD2 3.93Å; F692-F696 HydrophobicContact CZ-CD2 3.93Å; F692-F696 HydrophobicContact CZ-CG 4.38Å; F692-F696 WeakPolarHBondContact O-CA 3.25Å; F692-F696 WeakPolarHBondContact O-CB 3.43Å; F692-F696 PolarHBondContact O-N 3.05Å; F692-G710 VanDerWaalsContact CE1-O 3.22Å; F692-G710 WeakPolarHBondContact CE1-O 3.36Å; F692-C713 HydrophobicContact CE1-CB 3.84Å; F692-C713 HydrophobicContact CZ-CB 3.84Å; F692-F714 HydrophobicContact CB-CD2 3.65Å; F692-F714 HydrophobicContact CB-CE2 4.21Å; F692-F714 HydrophobicContact CD1-CB 3.78Å; F692-F714 HydrophobicContact CD1-CD2 4.04Å; F692-F714 HydrophobicContact CD1-CG 4.41Å; F692-F714 HydrophobicContact CD2-CD2 4.2Å; F692-F714 HydrophobicContact CE1-CB 4.01Å; F692-F714 HydrophobicContact CG-CB 4.29Å; F692-F714 AromaticContact CG-CD2 3.7Å; F692-F714 HydrophobicContact CG-CD2 3.7Å; F692-F714 HydrophobicContact CG-CG 4.49Å; F692-L717 HydrophobicContact CE2-CD1 3.71Å; F692-L717 HydrophobicContact CZ-CD1 4.08Å; F692-I725 HydrophobicContact CD2-CB 4.27Å; F692-I725 HydrophobicContact CD2-CG1 4.14Å; F692-I725 HydrophobicContact CD2-CG2 4.25Å; F692-I725 HydrophobicContact CE2-CG2 4.34Å; F692-F730 HydrophobicContact CD2-CD2 4.06Å; F692-F730 HydrophobicContact CD2-CE2 4.31Å; F692-F730 AromaticContact CE2-CD2 3.71Å; F692-F730 HydrophobicContact CE2-CD2 3.71Å; F692-F730 HydrophobicContact CE2-CE2 4.01Å; F692-L733 HydrophobicContact CE2-CD2 4.17Å; F692-L733 HydrophobicContact CZ-CD2 3.62Å
693N92.1Very high89.4Confident45 Ų4527 Ų2724%0.24115%0.153CC..Hα-helixtrans-60.3-43.5-178.8-83.1-58.9000112.7A689 Q691 Q697 G710 S711A689-N693 WeakPolarHBondContact O-CB 3.48Å; A689-N693 PolarHBondContact O-N 3.5Å; A689-N693 PolarHBondContact O-ND2 3.4Å; Q691-N693 VanDerWaalsContact C-N 3.34Å; Q691-N693 PolarHBondContact O-N 3.07Å; N693-Q697 WeakPolarHBondContact O-CB 3.46Å; N693-Q697 PolarHBondContact O-N 2.92Å; N693-G710 WeakPolarHBondContact OD1-CA 3.36Å; N693-S711 PolarHBondContact OD1-N 2.96Å
694S89.9Confident89.5Confident37 Ų3729 Ų2926%0.25917%0.172SC..Hα-helixtrans-66.7-43.9178.1171.20000112H653 R690 Q691 F692 G698H653-S694 WeakPolarHBondContact NE2-CB 3.32Å; H653-S694 PolarHBondContact NE2-OG 2.91Å; R690-S694 PolarHBondContact O-N 3.19Å; Q691-S694 PolarHBondContact O-N 2.96Å; F692-S694 PolarHBondContact O-N 3.23Å; S694-G698 PolarHBondContact O-N 3.37Å; S694-G698 VanDerWaalsContact O-N 3.11Å
695L92.9Very high89.9Confident0 Ų027.9 Ų27.90%017%0.165CC..Hα-helixtrans-65.4-45.2177.6-175.764.4000111.4Y650 H653 I687 Q691 F692 G698 L699 F730 F999Y650-L695 HydrophobicContact CD2-CD2 3.57Å; Y650-L695 HydrophobicContact CE2-CD2 4.27Å; Y650-L695 HydrophobicContact CG-CD2 4.2Å; H653-L695 HydrophobicContact CB-CD1 3.93Å; I687-L695 HydrophobicContact CD1-CD2 3.8Å; Q691-L695 WeakPolarHBondContact O-CB 3.2Å; Q691-L695 PolarHBondContact O-N 3.24Å; F692-L695 PolarHBondContact O-N 3.34Å; L695-G698 PolarHBondContact O-N 2.83Å; L695-L699 HydrophobicContact CD1-CD1 3.54Å; L695-L699 HydrophobicContact CD1-CG 4.19Å; L695-L699 HydrophobicContact CG-CD1 3.83Å; L695-L699 WeakPolarHBondContact O-CB 3.29Å; L695-L699 PolarHBondContact O-N 3.46Å; L695-F730 HydrophobicContact CD2-CE1 3.97Å; L695-F730 HydrophobicContact CD2-CE2 4.03Å; L695-F730 HydrophobicContact CD2-CZ 3.7Å; L695-F730 HydrophobicContact CG-CE1 4.4Å; L695-F730 HydrophobicContact CG-CE2 4.34Å; L695-F730 HydrophobicContact CG-CZ 3.84Å; L695-F999 HydrophobicContact CD1-CD1 4.34Å; L695-F999 HydrophobicContact CD1-CE1 3.55Å; L695-F999 HydrophobicContact CD1-CE2 4.23Å; L695-F999 HydrophobicContact CD1-CZ 3.48Å; L695-F999 VanDerWaalsContact CD1-CZ 3.48Å
696F94.7Very high90.2Very high0 Ų027.7 Ų27.70%016%0.164CC..Hα-helixtrans-61.2-48.7177.9-177.3-95000111F692 G698 L699 V700 W702 A706 L709 C713 L733 I737F692-F696 HydrophobicContact CD1-CB 4.23Å; F692-F696 HydrophobicContact CE1-CB 3.96Å; F692-F696 HydrophobicContact CE1-CD2 4.02Å; F692-F696 HydrophobicContact CE1-CG 4.03Å; F692-F696 HydrophobicContact CZ-CB 4.41Å; F692-F696 AromaticContact CZ-CD2 3.93Å; F692-F696 HydrophobicContact CZ-CD2 3.93Å; F692-F696 HydrophobicContact CZ-CG 4.38Å; F692-F696 WeakPolarHBondContact O-CA 3.25Å; F692-F696 WeakPolarHBondContact O-CB 3.43Å; F692-F696 PolarHBondContact O-N 3.05Å; F696-G698 PolarHBondContact O-N 3.33Å; F696-L699 PolarHBondContact O-N 2.99Å; F696-V700 HydrophobicContact CD1-CG2 4.37Å; F696-V700 HydrophobicContact CD2-CB 4.5Å; F696-V700 HydrophobicContact CD2-CG2 3.53Å; F696-V700 HydrophobicContact CE1-CB 4.38Å; F696-V700 HydrophobicContact CE1-CG1 4.42Å; F696-V700 HydrophobicContact CE1-CG2 4.32Å; F696-V700 HydrophobicContact CE2-CB 4.32Å; F696-V700 HydrophobicContact CE2-CG1 4.48Å; F696-V700 HydrophobicContact CE2-CG2 3.46Å; F696-V700 VanDerWaalsContact CE2-CG2 3.46Å; F696-V700 HydrophobicContact CG-CG2 4Å; F696-V700 HydrophobicContact CZ-CB 4.25Å; F696-V700 HydrophobicContact CZ-CG1 4.1Å; F696-V700 HydrophobicContact CZ-CG2 3.87Å; F696-V700 WeakPolarHBondContact O-CB 2.98Å; F696-V700 WeakPolarHBondContact O-CG2 3.45Å; F696-V700 PolarHBondContact O-N 2.74Å; F696-W702 HydrophobicContact CZ-CE3 4.39Å; F696-W702 HydrophobicContact CZ-CZ3 4.35Å; F696-A706 HydrophobicContact CD1-CB 4.24Å; F696-A706 WeakPolarHBondContact CD1-O 3.44Å; F696-A706 HydrophobicContact CE1-CB 4.06Å; F696-A706 VanDerWaalsContact CE1-O 3.32Å; F696-A706 WeakPolarHBondContact CE1-O 3.49Å; F696-L709 HydrophobicContact CE1-CB 4.15Å; F696-L709 HydrophobicContact CZ-CB 4.42Å; F696-C713 HydrophobicContact CE2-CB 4.16Å; F696-C713 HydrophobicContact CZ-CB 4.31Å; F696-C713 VanDerWaalsContact CZ-SG 3.57Å; F696-L733 HydrophobicContact CD2-CD2 3.91Å; F696-L733 HydrophobicContact CE2-CD2 3.65Å; F696-L733 HydrophobicContact CE2-CG 4.34Å; F696-I737 HydrophobicContact CE2-CD1 3.75Å; F696-I737 HydrophobicContact CZ-CD1 4.09Å
697Q92.2Very high90.4Very high96 Ų9632.8 Ų32.845%0.44919%0.189SC..Hα-helixtrans-60.2-35.6177-176.4178.70.400112.4N693N693-Q697 WeakPolarHBondContact O-CB 3.46Å; N693-Q697 PolarHBondContact O-N 2.92Å
698G89.9Confident90.4Very high26 Ų2638.5 Ų38.527%0.26821%0.211SC..Hα-helixtrans-79.6-30.4-179.100000114.9S694 L695 F696S694-G698 PolarHBondContact O-N 3.37Å; S694-G698 VanDerWaalsContact O-N 3.11Å; L695-G698 PolarHBondContact O-N 2.83Å; F696-G698 PolarHBondContact O-N 3.33Å
699L93Very high90.7Very high0 Ų038.1 Ų38.10%021%0.209CC..Hα-helixtrans-98-28.8-177.2-73.8173.9000113.9L646 L695 F696 F730 M734 Q995 C996 F999L646-L699 HydrophobicContact CD1-CD1 3.87Å; L695-L699 HydrophobicContact CD1-CD1 3.54Å; L695-L699 HydrophobicContact CD1-CG 4.19Å; L695-L699 HydrophobicContact CG-CD1 3.83Å; L695-L699 WeakPolarHBondContact O-CB 3.29Å; L695-L699 PolarHBondContact O-N 3.46Å; F696-L699 PolarHBondContact O-N 2.99Å; L699-F730 HydrophobicContact CD1-CE1 3.87Å; L699-F730 HydrophobicContact CD1-CZ 3.88Å; L699-M734 HydrophobicContact CB-CE 4.19Å; L699-M734 HydrophobicContact CB-SD 4.4Å; L699-Q995 WeakPolarHBondContact O-CB 3.13Å; L699-C996 HydrophobicContact CD2-CB 4.48Å; L699-F999 HydrophobicContact CD2-CB 3.5Å; L699-F999 VanDerWaalsContact CD2-CB 3.5Å; L699-F999 HydrophobicContact CD2-CD1 4.08Å; L699-F999 HydrophobicContact CD2-CG 3.81Å; L699-F999 HydrophobicContact CG-CB 4.15Å; L699-F999 HydrophobicContact CG-CD1 4.3Å; L699-F999 HydrophobicContact CG-CD2 4.35Å; L699-F999 HydrophobicContact CG-CG 4.01Å
700V92.3Very high90.9Very high7 Ų736.3 Ų36.34%0.04219%0.194CC..  trans-83.9125.5-172.9172.20000111.3F696 W702 A706 M734 I737F696-V700 HydrophobicContact CD1-CG2 4.37Å; F696-V700 HydrophobicContact CD2-CB 4.5Å; F696-V700 HydrophobicContact CD2-CG2 3.53Å; F696-V700 HydrophobicContact CE1-CB 4.38Å; F696-V700 HydrophobicContact CE1-CG1 4.42Å; F696-V700 HydrophobicContact CE1-CG2 4.32Å; F696-V700 HydrophobicContact CE2-CB 4.32Å; F696-V700 HydrophobicContact CE2-CG1 4.48Å; F696-V700 HydrophobicContact CE2-CG2 3.46Å; F696-V700 VanDerWaalsContact CE2-CG2 3.46Å; F696-V700 HydrophobicContact CG-CG2 4Å; F696-V700 HydrophobicContact CZ-CB 4.25Å; F696-V700 HydrophobicContact CZ-CG1 4.1Å; F696-V700 HydrophobicContact CZ-CG2 3.87Å; F696-V700 WeakPolarHBondContact O-CB 2.98Å; F696-V700 WeakPolarHBondContact O-CG2 3.45Å; F696-V700 PolarHBondContact O-N 2.74Å; V700-W702 HydrophobicContact CG1-CB 3.87Å; V700-W702 HydrophobicContact CG1-CD2 3.67Å; V700-W702 HydrophobicContact CG1-CE3 3.77Å; V700-W702 HydrophobicContact CG1-CG 3.7Å; V700-W702 PolarHBondContact O-N 2.98Å; V700-A706 HydrophobicContact CB-CB 4.25Å; V700-A706 HydrophobicContact CG1-CB 4.29Å; V700-M734 HydrophobicContact CG2-SD 4Å; V700-I737 HydrophobicContact CG1-CD1 4.25Å; V700-I737 HydrophobicContact CG1-CG2 4.12Å; V700-I737 HydrophobicContact CG2-CD1 4.09Å
701P88.4Confident91.1Very high35 Ų3531.3 Ų31.323%0.22718%0.183CC..SBendtrans-81.444-175.434.1-36.4000113L990P701-L990 HydrophobicContact CB-CD1 4.18Å; P701-L990 HydrophobicContact CG-CD1 3.4Å
702W90.4Very high91.2Very high9 Ų931.6 Ų31.63%0.03419%0.185CC..SBendtrans-110.910.6178.8-70.6-13000113F696 V700 A704 A705 A706 L709 I737 L748 L749 I898F696-W702 HydrophobicContact CZ-CE3 4.39Å; F696-W702 HydrophobicContact CZ-CZ3 4.35Å; V700-W702 HydrophobicContact CG1-CB 3.87Å; V700-W702 HydrophobicContact CG1-CD2 3.67Å; V700-W702 HydrophobicContact CG1-CE3 3.77Å; V700-W702 HydrophobicContact CG1-CG 3.7Å; V700-W702 PolarHBondContact O-N 2.98Å; W702-A704 PolarHBondContact O-N 3.38Å; W702-A705 HydrophobicContact CB-CB 4.27Å; W702-A705 WeakPolarHBondContact O-CB 3.4Å; W702-A705 PolarHBondContact O-N 2.65Å; W702-A706 HydrophobicContact CB-CB 4.34Å; W702-L709 HydrophobicContact CE3-CD1 3.43Å; W702-L709 VanDerWaalsContact CE3-CD1 3.43Å; W702-L709 HydrophobicContact CZ3-CD1 3.49Å; W702-L709 VanDerWaalsContact CZ3-CD1 3.49Å; W702-I737 HydrophobicContact CD2-CG2 4.4Å; W702-I737 HydrophobicContact CH2-CD1 3.86Å; W702-I737 HydrophobicContact CH2-CG1 3.67Å; W702-I737 HydrophobicContact CH2-CG2 4.27Å; W702-I737 HydrophobicContact CZ2-CB 4.25Å; W702-I737 HydrophobicContact CZ2-CD1 4.35Å; W702-I737 HydrophobicContact CZ2-CG1 3.87Å; W702-I737 HydrophobicContact CZ2-CG2 3.67Å; W702-I737 HydrophobicContact CZ3-CD1 3.95Å; W702-I737 HydrophobicContact CZ3-CG1 4.28Å; W702-L748 HydrophobicContact CH2-CD2 4.19Å; W702-L749 HydrophobicContact CH2-CD2 3.89Å; W702-L749 HydrophobicContact CH2-CG 4.43Å; W702-L749 HydrophobicContact CZ2-CD2 4.38Å; W702-L749 HydrophobicContact CZ3-CD2 4.19Å; W702-I898 HydrophobicContact CB-CG1 3.98Å; W702-I898 HydrophobicContact CD2-CD1 4.02Å; W702-I898 HydrophobicContact CD2-CG1 4.43Å; W702-I898 HydrophobicContact CG-CD1 4.05Å; W702-I898 HydrophobicContact CG-CG1 3.96Å; W702-I898 HydrophobicContact CG-CG2 4.44Å
703G86.4Confident91.3Very high37 Ų3731.6 Ų31.638%0.38119%0.185SC..THydrogen-bonded Turntrans54.8-132.8178.100000112.4A705 A706G703-A705 PolarHBondContact O-N 2.77Å; G703-A706 WeakPolarHBondContact O-CB 3.25Å; G703-A706 PolarHBondContact O-N 3.12Å
704A88Confident91.4Very high60 Ų6029.6 Ų29.650%0.49617%0.174SC..Hα-helixtrans-62.8-22.2179.700000113.6W702 A706 Q707 V897W702-A704 PolarHBondContact O-N 3.38Å; A704-A706 VanDerWaalsContact C-N 3.26Å; A704-A706 PolarHBondContact O-N 3.02Å; A704-Q707 PolarHBondContact O-N 2.77Å; A704-V897 HydrophobicContact CB-CG1 3.87Å
705A91.7Very high91.4Very high0 Ų032.2 Ų32.20%018%0.182CC..Hα-helixtrans-68.4-27.3175.700000111.9W702 G703 Q707 R708 L709 T894 V897 I898W702-A705 HydrophobicContact CB-CB 4.27Å; W702-A705 WeakPolarHBondContact O-CB 3.4Å; W702-A705 PolarHBondContact O-N 2.65Å; G703-A705 PolarHBondContact O-N 2.77Å; A705-Q707 VanDerWaalsContact C-N 3.27Å; A705-Q707 PolarHBondContact O-N 3.32Å; A705-R708 PolarHBondContact O-N 3.1Å; A705-R708 VanDerWaalsContact O-N 3.1Å; A705-L709 HydrophobicContact CB-CD1 4.46Å; A705-L709 WeakPolarHBondContact O-CB 3Å; A705-L709 WeakPolarHBondContact O-CG 3.29Å; A705-L709 PolarHBondContact O-N 3.32Å; A705-T894 HydrophobicContact CB-CG2 4.4Å; A705-V897 HydrophobicContact CB-CB 4.17Å; A705-V897 HydrophobicContact CB-CG1 3.8Å; A705-I898 HydrophobicContact CB-CD1 4.49Å; A705-I898 HydrophobicContact CB-CG1 3.62Å
706A92.2Very high91.4Very high1 Ų132.3 Ų32.31%0.00818%0.183CC..Hα-helixtrans-61.4-37.717600000111.8F696 V700 W702 G703 A704 R708 L709 G710F696-A706 HydrophobicContact CD1-CB 4.24Å; F696-A706 WeakPolarHBondContact CD1-O 3.44Å; F696-A706 HydrophobicContact CE1-CB 4.06Å; F696-A706 VanDerWaalsContact CE1-O 3.32Å; F696-A706 WeakPolarHBondContact CE1-O 3.49Å; V700-A706 HydrophobicContact CB-CB 4.25Å; V700-A706 HydrophobicContact CG1-CB 4.29Å; W702-A706 HydrophobicContact CB-CB 4.34Å; G703-A706 WeakPolarHBondContact O-CB 3.25Å; G703-A706 PolarHBondContact O-N 3.12Å; A704-A706 VanDerWaalsContact C-N 3.26Å; A704-A706 PolarHBondContact O-N 3.02Å; A706-R708 VanDerWaalsContact C-N 3.3Å; A706-R708 PolarHBondContact O-N 3.42Å; A706-L709 PolarHBondContact O-N 3.05Å; A706-G710 PolarHBondContact O-N 3.24Å
707Q89.1Confident91.3Very high129 Ų12932.5 Ų32.560%0.60318%0.184SC*.Hα-helixtrans-64-35.5175.6-170.7-178.16.600112.2A704 A705A704-Q707 PolarHBondContact O-N 2.77Å; A705-Q707 VanDerWaalsContact C-N 3.27Å; A705-Q707 PolarHBondContact O-N 3.32Å
708R88.9Confident91.1Very high120 Ų12028.7 Ų28.745%0.45317%0.166SC..Hα-helixtrans-75.7-35.7178.5-61.6-176.8-178.8177.42.5112.2A705 A706 P712 W758 E893A705-R708 PolarHBondContact O-N 3.1Å; A705-R708 VanDerWaalsContact O-N 3.1Å; A706-R708 VanDerWaalsContact C-N 3.3Å; A706-R708 PolarHBondContact O-N 3.42Å; R708-P712 WeakPolarHBondContact O-CD 3.33Å; R708-W758 HydrophobicContact CB-CH2 4.25Å; R708-E893 IonicContact NH1-OE1 2.77Å
709L93.1Very high90.8Very high0 Ų032.1 Ų32.10%018%0.175CC..Hα-helixtrans-89.7-13.2-174-69.6166.7000114.1F696 W702 A705 A706 S711 P712 C713 L749 L752 W758 T894F696-L709 HydrophobicContact CE1-CB 4.15Å; F696-L709 HydrophobicContact CZ-CB 4.42Å; W702-L709 HydrophobicContact CE3-CD1 3.43Å; W702-L709 VanDerWaalsContact CE3-CD1 3.43Å; W702-L709 HydrophobicContact CZ3-CD1 3.49Å; W702-L709 VanDerWaalsContact CZ3-CD1 3.49Å; A705-L709 HydrophobicContact CB-CD1 4.46Å; A705-L709 WeakPolarHBondContact O-CB 3Å; A705-L709 WeakPolarHBondContact O-CG 3.29Å; A705-L709 PolarHBondContact O-N 3.32Å; A706-L709 PolarHBondContact O-N 3.05Å; L709-S711 PolarHBondContact O-N 3.37Å; L709-P712 WeakPolarHBondContact O-CD 3.31Å; L709-C713 WeakPolarHBondContact O-CB 3.25Å; L709-C713 PolarHBondContact O-N 2.85Å; L709-C713 PolarHBondContact O-SG 2.87Å; L709-L749 HydrophobicContact CD1-CD2 4.22Å; L709-L752 HydrophobicContact CD2-CB 4.24Å; L709-L752 HydrophobicContact CD2-CD1 4.03Å; L709-W758 HydrophobicContact CD2-CE3 4.43Å; L709-W758 HydrophobicContact CD2-CZ3 3.7Å; L709-T894 HydrophobicContact CD1-CG2 3.66Å; L709-T894 HydrophobicContact CD2-CG2 4.17Å; L709-T894 HydrophobicContact CG-CG2 4.15Å
710G92.9Very high90.3Very high0 Ų036.7 Ų36.70%020%0.2CC..Hα-helixtrans-58.8-46.4-176.300000113.6F692 N693 A706 C713 F714F692-G710 VanDerWaalsContact CE1-O 3.22Å; F692-G710 WeakPolarHBondContact CE1-O 3.36Å; N693-G710 WeakPolarHBondContact OD1-CA 3.36Å; A706-G710 PolarHBondContact O-N 3.24Å; G710-C713 PolarHBondContact O-N 2.77Å; G710-F714 WeakPolarHBondContact O-CB 3.47Å; G710-F714 PolarHBondContact O-N 3.33Å
711S91.2Very high89.8Confident53 Ų5343.9 Ų43.937%0.37123%0.233SC..Hα-helixtrans-67.5-45.6177.4-179.20000112.7N693 L709 C713 F714 H715N693-S711 PolarHBondContact OD1-N 2.96Å; L709-S711 PolarHBondContact O-N 3.37Å; S711-C713 VanDerWaalsContact C-N 3.32Å; S711-C713 PolarHBondContact O-N 3.33Å; S711-F714 WeakPolarHBondContact O-CB 3.38Å; S711-F714 PolarHBondContact O-N 2.85Å; S711-H715 PolarHBondContact O-N 3.48Å; S711-H715 VanDerWaalsContact O-N 3.12Å; S711-H715 PolarHBondContact O-ND1 3.04Å; S711-H715 PolarHBondContact OG-CE1 2.98Å; S711-H715 PolarHBondContact OG-ND1 2.89Å
712P93.3Very high89.4Confident8 Ų843 Ų435%0.05223%0.226CC..Hα-helixtrans-54.2-43.6170.3-2933.3000114.1R708 L709 L716 L752 Y757 W758R708-P712 WeakPolarHBondContact O-CD 3.33Å; L709-P712 WeakPolarHBondContact O-CD 3.31Å; P712-L716 WeakPolarHBondContact O-CB 2.99Å; P712-L716 PolarHBondContact O-N 3.39Å; P712-L752 HydrophobicContact CB-CB 4.4Å; P712-L752 HydrophobicContact CB-CD2 3.93Å; P712-Y757 WeakPolarHBondContact CA-O 3.15Å; P712-W758 HydrophobicContact CB-CE3 4.32Å; P712-W758 HydrophobicContact CG-CE3 3.57Å; P712-W758 HydrophobicContact CG-CZ3 3.95Å
713C95.1Very high89.1Confident0 Ų046.6 Ų46.60%025%0.246CC..Hα-helixtrans-65-39.9177.5-74.80000112.2F692 F696 L709 G710 S711 L716 L717 L733 L752F692-C713 HydrophobicContact CE1-CB 3.84Å; F692-C713 HydrophobicContact CZ-CB 3.84Å; F696-C713 HydrophobicContact CE2-CB 4.16Å; F696-C713 HydrophobicContact CZ-CB 4.31Å; F696-C713 VanDerWaalsContact CZ-SG 3.57Å; L709-C713 WeakPolarHBondContact O-CB 3.25Å; L709-C713 PolarHBondContact O-N 2.85Å; L709-C713 PolarHBondContact O-SG 2.87Å; G710-C713 PolarHBondContact O-N 2.77Å; S711-C713 VanDerWaalsContact C-N 3.32Å; S711-C713 PolarHBondContact O-N 3.33Å; C713-L716 PolarHBondContact O-N 3.42Å; C713-L717 WeakPolarHBondContact O-CG 3.46Å; C713-L717 PolarHBondContact O-N 3.27Å; C713-L717 VanDerWaalsContact O-N 3.16Å; C713-L733 HydrophobicContact CB-CD2 3.93Å; C713-L752 HydrophobicContact CB-CD2 4.43Å; C713-L752 VanDerWaalsContact SG-CD1 3.54Å
714F93.4Very high89.2Confident4 Ų445 Ų452%0.01823%0.229CC..Hα-helixtrans-59.5-53.3176.6-179.1-90.4000111.2D688 A689 F692 G710 S711 L716 L717 D718 N723 I725D688-F714 VanDerWaalsContact C-CE2 3.49Å; A689-F714 HydrophobicContact CB-CD1 4Å; A689-F714 HydrophobicContact CB-CD2 4.12Å; A689-F714 HydrophobicContact CB-CE1 3.84Å; A689-F714 HydrophobicContact CB-CE2 3.93Å; A689-F714 HydrophobicContact CB-CG 4.13Å; A689-F714 HydrophobicContact CB-CZ 3.79Å; F692-F714 HydrophobicContact CB-CD2 3.65Å; F692-F714 HydrophobicContact CB-CE2 4.21Å; F692-F714 HydrophobicContact CD1-CB 3.78Å; F692-F714 HydrophobicContact CD1-CD2 4.04Å; F692-F714 HydrophobicContact CD1-CG 4.41Å; F692-F714 HydrophobicContact CD2-CD2 4.2Å; F692-F714 HydrophobicContact CE1-CB 4.01Å; F692-F714 HydrophobicContact CG-CB 4.29Å; F692-F714 AromaticContact CG-CD2 3.7Å; F692-F714 HydrophobicContact CG-CD2 3.7Å; F692-F714 HydrophobicContact CG-CG 4.49Å; G710-F714 WeakPolarHBondContact O-CB 3.47Å; G710-F714 PolarHBondContact O-N 3.33Å; S711-F714 WeakPolarHBondContact O-CB 3.38Å; S711-F714 PolarHBondContact O-N 2.85Å; F714-L716 PolarHBondContact O-N 2.89Å; F714-L717 PolarHBondContact O-N 3.36Å; F714-D718 HydrophobicContact CE1-CB 4.27Å; F714-D718 WeakPolarHBondContact O-CB 3.43Å; F714-D718 PolarHBondContact O-N 3.02Å; F714-N723 WeakPolarHBondContact CZ-O 3.42Å; F714-I725 HydrophobicContact CD2-CD1 4.32Å; F714-I725 HydrophobicContact CD2-CG1 3.55Å; F714-I725 HydrophobicContact CE2-CD1 4.24Å; F714-I725 HydrophobicContact CE2-CG1 3.5Å; F714-I725 VanDerWaalsContact CE2-CG1 3.5Å; F714-I725 HydrophobicContact CG-CG1 4.45Å; F714-I725 HydrophobicContact CZ-CG1 4.32Å
715H90.5Very high89.3Confident92 Ų9242.2 Ų42.243%0.42621%0.206SC..Hα-helixtrans-63.6-27.5178.8-63.3106.1000113.1S711 L717 Y757S711-H715 PolarHBondContact O-N 3.48Å; S711-H715 VanDerWaalsContact O-N 3.12Å; S711-H715 PolarHBondContact O-ND1 3.04Å; S711-H715 PolarHBondContact OG-CE1 2.98Å; S711-H715 PolarHBondContact OG-ND1 2.89Å; H715-L717 VanDerWaalsContact C-N 3.35Å; H715-Y757 HydrophobicContact CB-CD1 4.06Å
716L92.4Very high89.3Confident1 Ų143.4 Ų43.41%0.00521%0.212CC..Hα-helixtrans-68-36.4174176.265.6000112.1P712 C713 F714 L748 L751 L752 Y757 P864 L865 I868P712-L716 WeakPolarHBondContact O-CB 2.99Å; P712-L716 PolarHBondContact O-N 3.39Å; C713-L716 PolarHBondContact O-N 3.42Å; F714-L716 PolarHBondContact O-N 2.89Å; L716-L748 HydrophobicContact CD2-CD1 3.51Å; L716-L751 HydrophobicContact CD1-CD2 3.78Å; L716-L751 HydrophobicContact CD1-CG 4.42Å; L716-L752 HydrophobicContact CB-CD2 4.17Å; L716-L752 HydrophobicContact CD2-CD2 3.78Å; L716-L752 HydrophobicContact CD2-CG 4.45Å; L716-Y757 HydrophobicContact CB-CD1 4.11Å; L716-Y757 HydrophobicContact CB-CE1 4.22Å; L716-Y757 HydrophobicContact CD1-CE1 4.08Å; L716-Y757 HydrophobicContact CD1-CE2 4.26Å; L716-P864 HydrophobicContact CD1-CB 3.58Å; L716-L865 HydrophobicContact CG-CD2 4.45Å; L716-I868 HydrophobicContact CD2-CD1 3.89Å
717L92.2Very high89.4Confident5 Ų543.3 Ų43.33%0.02621%0.212CC..Hα-helixtrans-86.1-28.2-177.5-66.4-178.1000113.5F692 C713 F714 H715 Q719 I725 W732 L733 L865F692-L717 HydrophobicContact CE2-CD1 3.71Å; F692-L717 HydrophobicContact CZ-CD1 4.08Å; C713-L717 WeakPolarHBondContact O-CG 3.46Å; C713-L717 PolarHBondContact O-N 3.27Å; C713-L717 VanDerWaalsContact O-N 3.16Å; F714-L717 PolarHBondContact O-N 3.36Å; H715-L717 VanDerWaalsContact C-N 3.35Å; L717-Q719 PolarHBondContact O-N 2.91Å; L717-I725 HydrophobicContact CB-CD1 3.53Å; L717-I725 HydrophobicContact CB-CG1 4.28Å; L717-I725 HydrophobicContact CB-CG2 4.42Å; L717-I725 HydrophobicContact CD1-CG2 3.95Å; L717-W732 HydrophobicContact CD2-CE3 3.84Å; L717-W732 HydrophobicContact CD2-CZ3 4.1Å; L717-L733 HydrophobicContact CD1-CB 4.06Å; L717-L733 HydrophobicContact CD1-CD2 3.79Å; L717-L733 HydrophobicContact CD2-CB 4.38Å; L717-L865 HydrophobicContact CD2-CD2 3.9Å
718D88.7Confident89.7Confident15 Ų1539.5 Ų39.58%0.0819%0.193CC..  trans-77.664.3179.2-172.923.2000110.9F714 D720 E721 D722 N723 I725F714-D718 HydrophobicContact CE1-CB 4.27Å; F714-D718 WeakPolarHBondContact O-CB 3.43Å; F714-D718 PolarHBondContact O-N 3.02Å; D718-D720 VanDerWaalsContact C-N 3.32Å; D718-E721 PolarHBondContact O-N 3.42Å; D718-E721 WeakPolarHBondContact OD1-CA 3.4Å; D718-E721 PolarHBondContact OD1-N 3.42Å; D718-D722 PolarHBondContact OD1-N 3.29Å; D718-N723 PolarHBondContact OD1-N 2.78Å; D718-N723 VanDerWaalsContact OD2-CA 3.3Å; D718-N723 WeakPolarHBondContact OD2-CA 3.4Å; D718-N723 PolarHBondContact OD2-N 2.86Å; D718-I725 HydrophobicContact CB-CD1 3.82Å
719Q83.5Confident89.9Confident98 Ų9835 Ų3546%0.45818%0.18SC..THydrogen-bonded Turntrans-74.2-24-176.6-64.3-166.5-26.900113.5L717L717-Q719 PolarHBondContact O-N 2.91Å
720D82.4Confident90Very high96 Ų9635 Ų3551%0.51318%0.18SC..THydrogen-bonded Turntrans-89.4-2.6177.351.8-19.2000113.2R686 D718 D722R686-D720 IonicContact NH2-OD2 3.87Å; R686-D720 PolarHBondContact NH2-OD2 3.18Å; D718-D720 VanDerWaalsContact C-N 3.32Å; D720-D722 PolarHBondContact O-N 3.02Å
721E81.6Confident90.1Very high159 Ų15935 Ų3574%0.74318%0.18SC*.SBendtrans56.729.7176.1-57.1-176.6171.800113.6D718D718-E721 PolarHBondContact O-N 3.42Å; D718-E721 WeakPolarHBondContact OD1-CA 3.4Å; D718-E721 PolarHBondContact OD1-N 3.42Å
722D81Confident90.2Very high15 Ų1534 Ų348%0.0817%0.168CC..SBendtrans-94.20.4179.978.31.6000113.4R686 D718 D720 L724R686-D722 IonicContact CZ-OD1 3.57Å; R686-D722 IonicContact CZ-OD2 3.7Å; R686-D722 IonicContact NH1-OD2 2.86Å; R686-D722 PolarHBondContact NH1-OD2 2.63Å; R686-D722 IonicContact NH2-OD1 3.55Å; R686-D722 PolarHBondContact NH2-OD1 2.68Å; R686-D722 IonicContact NH2-OD2 2.61Å; R686-D722 PolarHBondContact NH2-OD2 2.96Å; D718-D722 PolarHBondContact OD1-N 3.29Å; D720-D722 PolarHBondContact O-N 3.02Å; D722-L724 VanDerWaalsContact C-N 3.25Å; D722-L724 PolarHBondContact O-N 3.42Å; D722-L724 WeakPolarHBondContact OD1-CB 3.27Å; D722-L724 PolarHBondContact OD1-N 3.4Å
723N84.7Confident90.3Very high85 Ų8533.7 Ų33.746%0.45517%0.166SC..SBendtrans6426.4-179.3-56.3-89.5000113.4F714 D718F714-N723 WeakPolarHBondContact CZ-O 3.42Å; D718-N723 PolarHBondContact OD1-N 2.78Å; D718-N723 VanDerWaalsContact OD2-CA 3.3Å; D718-N723 WeakPolarHBondContact OD2-CA 3.4Å; D718-N723 PolarHBondContact OD2-N 2.86Å
724L87.1Confident90.3Very high5 Ų533.7 Ų33.73%0.02617%0.166CC..  trans-138.2124-179.2-68.6176.5000112.4Y78 P667 H671 R686 D688 D722Y78-L724 HydrophobicContact CD2-CD1 4.46Å; Y78-L724 HydrophobicContact CD2-CD2 4.32Å; Y78-L724 HydrophobicContact CE2-CD1 4.5Å; Y78-L724 HydrophobicContact CE2-CD2 3.64Å; P667-L724 HydrophobicContact CB-CD1 4.01Å; P667-L724 HydrophobicContact CG-CD1 4.24Å; H671-L724 WeakPolarHBondContact CD2-CD1 3.46Å; H671-L724 WeakPolarHBondContact NE2-CD1 3.45Å; R686-L724 HydrophobicContact CB-CB 3.95Å; R686-L724 HydrophobicContact CB-CD1 4.4Å; R686-L724 HydrophobicContact CB-CD2 4.46Å; R686-L724 PolarHBondContact NH2-O 3.43Å; D688-L724 HydrophobicContact CB-CD2 4.21Å; D722-L724 VanDerWaalsContact C-N 3.25Å; D722-L724 PolarHBondContact O-N 3.42Å; D722-L724 WeakPolarHBondContact OD1-CB 3.27Å; D722-L724 PolarHBondContact OD1-N 3.4Å
725I90.8Very high90.1Very high1 Ų136.5 Ų36.51%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-98126177.1-57.6-50.8000109.8Y650 R686 I687 F692 F714 L717 D718 F730Y650-I725 PolarHBondContact OH-O 3.3Å; R686-I725 WeakPolarHBondContact CA-O 3.49Å; I687-I725 HydrophobicContact CG1-CB 4.21Å; I687-I725 PolarHBondContact N-O 2.93Å; I687-I725 PolarHBondContact O-N 3.1Å; F692-I725 HydrophobicContact CD2-CB 4.27Å; F692-I725 HydrophobicContact CD2-CG1 4.14Å; F692-I725 HydrophobicContact CD2-CG2 4.25Å; F692-I725 HydrophobicContact CE2-CG2 4.34Å; F714-I725 HydrophobicContact CD2-CD1 4.32Å; F714-I725 HydrophobicContact CD2-CG1 3.55Å; F714-I725 HydrophobicContact CE2-CD1 4.24Å; F714-I725 HydrophobicContact CE2-CG1 3.5Å; F714-I725 VanDerWaalsContact CE2-CG1 3.5Å; F714-I725 HydrophobicContact CG-CG1 4.45Å; F714-I725 HydrophobicContact CZ-CG1 4.32Å; L717-I725 HydrophobicContact CB-CD1 3.53Å; L717-I725 HydrophobicContact CB-CG1 4.28Å; L717-I725 HydrophobicContact CB-CG2 4.42Å; L717-I725 HydrophobicContact CD1-CG2 3.95Å; D718-I725 HydrophobicContact CB-CD1 3.82Å; I725-F730 HydrophobicContact CG2-CB 4.45Å
726N91.5Very high90.2Very high24 Ų2432.6 Ų32.613%0.12816%0.162CC..EExtended strand (participates in β ladder)trans-85.6171.1173.667.835.6000113.1D683 R686 K728 S729 F730D683-N726 WeakPolarHBondContact OD1-CB 3.39Å; D683-N726 PolarHBondContact OD1-ND2 3.29Å; R686-N726 HydrophobicContact CG-CB 4.13Å; N726-K728 VanDerWaalsContact C-N 3.32Å; N726-K728 PolarHBondContact O-N 3.5Å; N726-K728 WeakPolarHBondContact OD1-CB 3.24Å; N726-K728 PolarHBondContact OD1-N 3.49Å; N726-S729 PolarHBondContact O-N 3.49Å; N726-S729 PolarHBondContact OD1-N 2.99Å; N726-S729 PolarHBondContact OD1-OG 3.28Å; N726-F730 PolarHBondContact O-N 3.27Å
727F94.8Very high90.2Very high0 Ų032.5 Ų32.50%016%0.162CC..Hα-helixtrans-64.7-35.2-176-174.8-117.3000112.8V631 L635 L646 F647 Y650 Y682 F730 V731V631-F727 HydrophobicContact CG1-CD1 3.56Å; V631-F727 HydrophobicContact CG1-CE1 4.01Å; L635-F727 HydrophobicContact CD1-CD1 3.74Å; L635-F727 HydrophobicContact CD1-CE1 4Å; L646-F727 HydrophobicContact CB-CZ 4.34Å; L646-F727 HydrophobicContact CD2-CE2 4.39Å; L646-F727 HydrophobicContact CD2-CZ 4.36Å; L646-F727 HydrophobicContact CG-CE2 4.02Å; L646-F727 HydrophobicContact CG-CZ 4.18Å; F647-F727 VanDerWaalsContact CA-CE2 3.45Å; F647-F727 VanDerWaalsContact CA-CZ 3.42Å; F647-F727 HydrophobicContact CB-CE1 3.79Å; F647-F727 HydrophobicContact CB-CE2 3.96Å; F647-F727 HydrophobicContact CB-CZ 3.47Å; F647-F727 VanDerWaalsContact CB-CZ 3.47Å; F647-F727 HydrophobicContact CD2-CB 4.31Å; F647-F727 AromaticContact CD2-CD1 3.6Å; F647-F727 HydrophobicContact CD2-CD1 3.6Å; F647-F727 AromaticContact CD2-CD2 3.79Å; F647-F727 HydrophobicContact CD2-CD2 3.79Å; F647-F727 AromaticContact CD2-CE1 3.74Å; F647-F727 HydrophobicContact CD2-CE1 3.74Å; F647-F727 AromaticContact CD2-CE2 3.94Å; F647-F727 HydrophobicContact CD2-CE2 3.94Å; F647-F727 AromaticContact CD2-CG 3.62Å; F647-F727 HydrophobicContact CD2-CG 3.62Å; F647-F727 AromaticContact CD2-CZ 3.92Å; F647-F727 HydrophobicContact CD2-CZ 3.92Å; F647-F727 HydrophobicContact CE2-CB 4.38Å; F647-F727 HydrophobicContact CE2-CD1 4.3Å; F647-F727 HydrophobicContact CE2-CG 4.17Å; F647-F727 HydrophobicContact CG-CD1 4.45Å; F647-F727 HydrophobicContact CG-CE1 4.18Å; F647-F727 HydrophobicContact CG-CE2 4.47Å; F647-F727 HydrophobicContact CG-CZ 4.2Å; Y650-F727 HydrophobicContact CD1-CD2 4.01Å; Y650-F727 AromaticContact CD2-CD2 3.82Å; Y650-F727 HydrophobicContact CD2-CD2 3.82Å; Y650-F727 HydrophobicContact CD2-CE2 4.46Å; Y650-F727 HydrophobicContact CE1-CB 4.36Å; Y650-F727 HydrophobicContact CE2-CD2 4.32Å; Y650-F727 AromaticContact CG-CD2 3.65Å; Y650-F727 HydrophobicContact CG-CD2 3.65Å; Y650-F727 HydrophobicContact CG-CE2 4.21Å; Y682-F727 VanDerWaalsContact O-CB 3.31Å; Y682-F727 WeakPolarHBondContact O-CB 3.47Å; Y682-F727 PolarHBondContact O-N 2.91Å; F727-F730 PolarHBondContact O-N 3.24Å; F727-V731 HydrophobicContact CD1-CG2 3.84Å; F727-V731 HydrophobicContact CD2-CG2 4.18Å; F727-V731 HydrophobicContact CE1-CG2 3.41Å; F727-V731 VanDerWaalsContact CE1-CG2 3.41Å; F727-V731 HydrophobicContact CE2-CG2 3.79Å; F727-V731 HydrophobicContact CG-CG2 4.21Å; F727-V731 HydrophobicContact CZ-CG2 3.38Å; F727-V731 VanDerWaalsContact O-CG2 3.28Å; F727-V731 WeakPolarHBondContact O-CG2 3.43Å; F727-V731 PolarHBondContact O-N 2.97Å
728K94.3Very high90.1Very high49 Ų4932.4 Ų32.421%0.21316%0.161CC..Hα-helixtrans-60.3-49.4178.6179175.9178.71670111.7L635 E638 F639 Y682 N726 F730 V731 W732L635-K728 HydrophobicContact CD2-CB 3.99Å; L635-K728 HydrophobicContact CD2-CD 4.02Å; L635-K728 HydrophobicContact CD2-CG 3.85Å; E638-K728 IonicContact OE1-NZ 3.62Å; E638-K728 PolarHBondContact OE1-NZ 3.43Å; E638-K728 WeakPolarHBondContact OE2-CE 3.41Å; E638-K728 IonicContact OE2-NZ 2.76Å; E638-K728 PolarHBondContact OE2-NZ 2.73Å; F639-K728 HydrophobicContact CE2-CG 4.22Å; Y682-K728 HydrophobicContact CD1-CB 4.38Å; Y682-K728 HydrophobicContact CD1-CD 4.45Å; Y682-K728 HydrophobicContact CD2-CB 3.51Å; Y682-K728 HydrophobicContact CD2-CD 4.38Å; Y682-K728 HydrophobicContact CE1-CD 4.02Å; Y682-K728 HydrophobicContact CE2-CB 3.86Å; Y682-K728 HydrophobicContact CE2-CD 3.95Å; Y682-K728 HydrophobicContact CG-CB 3.79Å; N726-K728 VanDerWaalsContact C-N 3.32Å; N726-K728 PolarHBondContact O-N 3.5Å; N726-K728 WeakPolarHBondContact OD1-CB 3.24Å; N726-K728 PolarHBondContact OD1-N 3.49Å; K728-F730 VanDerWaalsContact C-N 3.28Å; K728-F730 PolarHBondContact O-N 3.36Å; K728-V731 PolarHBondContact O-N 3.16Å; K728-W732 PolarHBondContact O-N 3.46Å
729S94Very high90.1Very high26 Ų2632.7 Ų32.718%0.18217%0.167CC..Hα-helixtrans-62.1-37.8177.6-64.80000111.5N726 L733N726-S729 PolarHBondContact O-N 3.49Å; N726-S729 PolarHBondContact OD1-N 2.99Å; N726-S729 PolarHBondContact OD1-OG 3.28Å; S729-L733 PolarHBondContact O-N 3.5Å
730F95.6Very high90.2Very high0 Ų034.1 Ų34.10%017%0.174CC..Hα-helixtrans-66.8-42.5175.5-168.4-102.1000113.1L646 Y650 F692 L695 L699 I725 N726 F727 K728 W732 L733 M734L646-F730 HydrophobicContact CD1-CE1 4.03Å; Y650-F730 HydrophobicContact CD2-CB 4.22Å; Y650-F730 AromaticContact CD2-CD1 3.8Å; Y650-F730 HydrophobicContact CD2-CD1 3.8Å; Y650-F730 HydrophobicContact CD2-CE1 4.35Å; Y650-F730 AromaticContact CD2-CG 3.96Å; Y650-F730 HydrophobicContact CD2-CG 3.96Å; Y650-F730 HydrophobicContact CE2-CB 3.92Å; Y650-F730 HydrophobicContact CE2-CD1 4.34Å; Y650-F730 HydrophobicContact CE2-CG 4.02Å; F692-F730 HydrophobicContact CD2-CD2 4.06Å; F692-F730 HydrophobicContact CD2-CE2 4.31Å; F692-F730 AromaticContact CE2-CD2 3.71Å; F692-F730 HydrophobicContact CE2-CD2 3.71Å; F692-F730 HydrophobicContact CE2-CE2 4.01Å; L695-F730 HydrophobicContact CD2-CE1 3.97Å; L695-F730 HydrophobicContact CD2-CE2 4.03Å; L695-F730 HydrophobicContact CD2-CZ 3.7Å; L695-F730 HydrophobicContact CG-CE1 4.4Å; L695-F730 HydrophobicContact CG-CE2 4.34Å; L695-F730 HydrophobicContact CG-CZ 3.84Å; L699-F730 HydrophobicContact CD1-CE1 3.87Å; L699-F730 HydrophobicContact CD1-CZ 3.88Å; I725-F730 HydrophobicContact CG2-CB 4.45Å; N726-F730 PolarHBondContact O-N 3.27Å; F727-F730 PolarHBondContact O-N 3.24Å; K728-F730 VanDerWaalsContact C-N 3.28Å; K728-F730 PolarHBondContact O-N 3.36Å; F730-W732 PolarHBondContact O-N 3.22Å; F730-L733 PolarHBondContact O-N 3.25Å; F730-M734 HydrophobicContact CD1-CG 4.08Å; F730-M734 HydrophobicContact CE1-CG 3.71Å; F730-M734 HydrophobicContact CE1-SD 4.32Å; F730-M734 HydrophobicContact CZ-CG 4.09Å; F730-M734 HydrophobicContact CZ-SD 4.2Å; F730-M734 WeakPolarHBondContact O-CG 3.28Å; F730-M734 PolarHBondContact O-N 3.3Å
731V95.1Very high90.5Very high0 Ų032.7 Ų32.70%017%0.166CC..Hα-helixtrans-60-46175.4168.70000110.8L635 F639 L643 L646 F727 K728 L733 M734 E735L635-V731 HydrophobicContact CD1-CG2 4.37Å; F639-V731 HydrophobicContact CB-CG1 4.24Å; F639-V731 HydrophobicContact CD1-CG1 3.94Å; F639-V731 HydrophobicContact CD2-CG1 3.8Å; F639-V731 HydrophobicContact CE1-CG1 4.16Å; F639-V731 HydrophobicContact CE2-CG1 4.06Å; F639-V731 HydrophobicContact CG-CG1 3.71Å; F639-V731 HydrophobicContact CZ-CG1 4.22Å; L643-V731 HydrophobicContact CD1-CG1 3.78Å; L643-V731 HydrophobicContact CD1-CG2 4.14Å; L643-V731 HydrophobicContact CD2-CG1 3.85Å; L643-V731 HydrophobicContact CD2-CG2 4.33Å; L643-V731 HydrophobicContact CG-CG1 4.49Å; L646-V731 HydrophobicContact CD2-CG2 4.1Å; F727-V731 HydrophobicContact CD1-CG2 3.84Å; F727-V731 HydrophobicContact CD2-CG2 4.18Å; F727-V731 HydrophobicContact CE1-CG2 3.41Å; F727-V731 VanDerWaalsContact CE1-CG2 3.41Å; F727-V731 HydrophobicContact CE2-CG2 3.79Å; F727-V731 HydrophobicContact CG-CG2 4.21Å; F727-V731 HydrophobicContact CZ-CG2 3.38Å; F727-V731 VanDerWaalsContact O-CG2 3.28Å; F727-V731 WeakPolarHBondContact O-CG2 3.43Å; F727-V731 PolarHBondContact O-N 2.97Å; K728-V731 PolarHBondContact O-N 3.16Å; V731-L733 VanDerWaalsContact C-N 3.26Å; V731-L733 PolarHBondContact O-N 2.85Å; V731-M734 PolarHBondContact O-N 3.44Å; V731-M734 VanDerWaalsContact O-N 3.16Å; V731-E735 PolarHBondContact O-N 2.91Å
732W93.4Very high91Very high32 Ų3225.2 Ų25.212%0.12113%0.132CC..Hα-helixtrans-55.9-42.4177.1178.289.7000112F639 L717 K728 F730 S736 L865 I868F639-W732 HydrophobicContact CE1-CB 4.38Å; F639-W732 HydrophobicContact CZ-CB 4.02Å; L717-W732 HydrophobicContact CD2-CE3 3.84Å; L717-W732 HydrophobicContact CD2-CZ3 4.1Å; K728-W732 PolarHBondContact O-N 3.46Å; F730-W732 PolarHBondContact O-N 3.22Å; W732-S736 WeakPolarHBondContact O-CB 3.35Å; W732-S736 PolarHBondContact O-N 3.26Å; W732-S736 PolarHBondContact O-OG 2.84Å; W732-L865 HydrophobicContact CD2-CD2 4.09Å; W732-L865 HydrophobicContact CE3-CD2 3.64Å; W732-L865 HydrophobicContact CH2-CB 4.29Å; W732-L865 HydrophobicContact CH2-CD2 3.38Å; W732-L865 HydrophobicContact CH2-CG 4.42Å; W732-L865 HydrophobicContact CZ2-CB 3.88Å; W732-L865 HydrophobicContact CZ2-CD2 3.83Å; W732-L865 HydrophobicContact CZ2-CG 4.44Å; W732-L865 WeakPolarHBondContact CZ2-O 3.36Å; W732-L865 HydrophobicContact CZ3-CD2 3.29Å; W732-I868 HydrophobicContact CH2-CB 3.86Å; W732-I868 HydrophobicContact CH2-CD1 3.71Å; W732-I868 HydrophobicContact CH2-CG1 4.39Å; W732-I868 HydrophobicContact CH2-CG2 3.67Å; W732-I868 HydrophobicContact CZ2-CB 3.86Å; W732-I868 HydrophobicContact CZ2-CG2 3.72Å
733L94.8Very high91.5Very high0 Ų026.9 Ų26.90%014%0.14CC..Hα-helixtrans-67.2-44.9178-178.464.1000111.4F692 F696 C713 L717 S729 F730 V731 E735 S736 I737 L748F692-L733 HydrophobicContact CE2-CD2 4.17Å; F692-L733 HydrophobicContact CZ-CD2 3.62Å; F696-L733 HydrophobicContact CD2-CD2 3.91Å; F696-L733 HydrophobicContact CE2-CD2 3.65Å; F696-L733 HydrophobicContact CE2-CG 4.34Å; C713-L733 HydrophobicContact CB-CD2 3.93Å; L717-L733 HydrophobicContact CD1-CB 4.06Å; L717-L733 HydrophobicContact CD1-CD2 3.79Å; L717-L733 HydrophobicContact CD2-CB 4.38Å; S729-L733 PolarHBondContact O-N 3.5Å; F730-L733 PolarHBondContact O-N 3.25Å; V731-L733 VanDerWaalsContact C-N 3.26Å; V731-L733 PolarHBondContact O-N 2.85Å; L733-E735 VanDerWaalsContact C-N 3.35Å; L733-E735 PolarHBondContact O-N 3.45Å; L733-S736 WeakPolarHBondContact O-CB 3.36Å; L733-S736 PolarHBondContact O-N 3.37Å; L733-I737 HydrophobicContact CD1-CD1 3.91Å; L733-I737 HydrophobicContact CD1-CG1 4.34Å; L733-I737 HydrophobicContact CG-CD1 3.91Å; L733-I737 WeakPolarHBondContact O-CG1 3.4Å; L733-I737 PolarHBondContact O-N 3.13Å; L733-L748 HydrophobicContact CD1-CD1 4.13Å; L733-L748 HydrophobicContact CD1-CD2 3.92Å
734M94Very high91.8Very high0 Ų023.7 Ų23.70%012%0.124CC..Hα-helixtrans-61.4-42.2178.1-74.6-61.3-64.300111.9L646 L699 V700 F730 V731 I737 C738 I992L646-M734 HydrophobicContact CD1-CE 4.45Å; L646-M734 HydrophobicContact CD1-CG 4.36Å; L646-M734 HydrophobicContact CD2-CB 4.18Å; L646-M734 HydrophobicContact CD2-CG 4.16Å; L699-M734 HydrophobicContact CB-CE 4.19Å; L699-M734 HydrophobicContact CB-SD 4.4Å; V700-M734 HydrophobicContact CG2-SD 4Å; F730-M734 HydrophobicContact CD1-CG 4.08Å; F730-M734 HydrophobicContact CE1-CG 3.71Å; F730-M734 HydrophobicContact CE1-SD 4.32Å; F730-M734 HydrophobicContact CZ-CG 4.09Å; F730-M734 HydrophobicContact CZ-SD 4.2Å; F730-M734 WeakPolarHBondContact O-CG 3.28Å; F730-M734 PolarHBondContact O-N 3.3Å; V731-M734 PolarHBondContact O-N 3.44Å; V731-M734 VanDerWaalsContact O-N 3.16Å; M734-I737 PolarHBondContact O-N 3.04Å; M734-C738 WeakPolarHBondContact O-CB 3.26Å; M734-C738 PolarHBondContact O-N 3.25Å; M734-I992 HydrophobicContact CB-CD1 4.47Å
735E90.7Very high92Very high63 Ų6323.6 Ų23.629%0.29412%0.123SC..Hα-helixtrans-65.5-39.7174-76.1-159174.300112.4F639 V731 L733 I737 G739F639-E735 HydrophobicContact CD1-CG 4.33Å; F639-E735 WeakPolarHBondContact CD1-OE1 3.28Å; F639-E735 WeakPolarHBondContact CD1-OE2 3.47Å; V731-E735 PolarHBondContact O-N 2.91Å; L733-E735 VanDerWaalsContact C-N 3.35Å; L733-E735 PolarHBondContact O-N 3.45Å; E735-I737 VanDerWaalsContact C-N 3.25Å; E735-I737 PolarHBondContact O-N 3.31Å; E735-G739 VanDerWaalsContact O-CA 3.29Å; E735-G739 WeakPolarHBondContact O-CA 3.45Å; E735-G739 PolarHBondContact O-N 3.48Å
736S91.2Very high92.1Very high10 Ų1023.6 Ų23.67%0.0712%0.123CC..Hα-helixtrans-62.5-33.7177.3-62.20000112.4W732 L733 K745W732-S736 WeakPolarHBondContact O-CB 3.35Å; W732-S736 PolarHBondContact O-N 3.26Å; W732-S736 PolarHBondContact O-OG 2.84Å; L733-S736 WeakPolarHBondContact O-CB 3.36Å; L733-S736 PolarHBondContact O-N 3.37Å; S736-K745 VanDerWaalsContact O-CG 3.25Å; S736-K745 WeakPolarHBondContact O-CG 3.48Å
737I92.7Very high92.2Very high0 Ų023.9 Ų23.90%012%0.122CC..Hα-helixtrans-85.5-45.3-179.7-66.7174000112.1F696 V700 W702 L733 M734 E735 K745 L748F696-I737 HydrophobicContact CE2-CD1 3.75Å; F696-I737 HydrophobicContact CZ-CD1 4.09Å; V700-I737 HydrophobicContact CG1-CD1 4.25Å; V700-I737 HydrophobicContact CG1-CG2 4.12Å; V700-I737 HydrophobicContact CG2-CD1 4.09Å; W702-I737 HydrophobicContact CD2-CG2 4.4Å; W702-I737 HydrophobicContact CH2-CD1 3.86Å; W702-I737 HydrophobicContact CH2-CG1 3.67Å; W702-I737 HydrophobicContact CH2-CG2 4.27Å; W702-I737 HydrophobicContact CZ2-CB 4.25Å; W702-I737 HydrophobicContact CZ2-CD1 4.35Å; W702-I737 HydrophobicContact CZ2-CG1 3.87Å; W702-I737 HydrophobicContact CZ2-CG2 3.67Å; W702-I737 HydrophobicContact CZ3-CD1 3.95Å; W702-I737 HydrophobicContact CZ3-CG1 4.28Å; L733-I737 HydrophobicContact CD1-CD1 3.91Å; L733-I737 HydrophobicContact CD1-CG1 4.34Å; L733-I737 HydrophobicContact CG-CD1 3.91Å; L733-I737 WeakPolarHBondContact O-CG1 3.4Å; L733-I737 PolarHBondContact O-N 3.13Å; M734-I737 PolarHBondContact O-N 3.04Å; E735-I737 VanDerWaalsContact C-N 3.25Å; E735-I737 PolarHBondContact O-N 3.31Å; I737-K745 WeakPolarHBondContact O-CE 3.48Å; I737-K745 PolarHBondContact O-NZ 3.31Å; I737-L748 HydrophobicContact CD1-CD2 4.33Å; I737-L748 HydrophobicContact CG1-CD2 3.67Å
738C91Very high92.1Very high3 Ų323.9 Ų23.92%0.0212%0.122CC..Hα-helixtrans-88.5-17.7-173.6-68.80000113.6M734 E989 L990 I992M734-C738 WeakPolarHBondContact O-CB 3.26Å; M734-C738 PolarHBondContact O-N 3.25Å; C738-E989 WeakPolarHBondContact O-CA 3.4Å; C738-L990 HydrophobicContact CB-CB 4.19Å; C738-L990 WeakPolarHBondContact CB-O 3.39Å; C738-L990 PolarHBondContact O-N 3.48Å; C738-I992 HydrophobicContact CB-CD1 4.46Å; C738-I992 HydrophobicContact CB-CG1 3.91Å
739G88Confident92Very high20 Ų2021.5 Ų21.521%0.20611%0.112CC..SBendtrans-65.6176.8-179.400000114E735 K745E735-G739 VanDerWaalsContact O-CA 3.29Å; E735-G739 WeakPolarHBondContact O-CA 3.45Å; E735-G739 PolarHBondContact O-N 3.48Å; G739-K745 WeakPolarHBondContact O-CE 3.38Å; G739-K745 PolarHBondContact O-NZ 3.36Å
740H85.7Confident92Very high129 Ų12920.3 Ų20.360%0.59710%0.104SC*.SBendtrans-91.1-12.3-177.559-90.3000114L742 E989H740-L742 PolarHBondContact O-N 2.71Å; H740-L742 VanDerWaalsContact O-N 3.1Å; H740-E989 HydrophobicContact CB-CB 4.36Å
741D89.7Confident91.7Very high65 Ų6520.4 Ų20.435%0.34810%0.104SC..  trans-77.4101-177.7-178.516.4000112.1N743 T744 K745D741-N743 VanDerWaalsContact C-N 3.26Å; D741-N743 PolarHBondContact O-N 3.08Å; D741-N743 PolarHBondContact OD1-N 3.42Å; D741-T744 PolarHBondContact O-N 3.07Å; D741-T744 WeakPolarHBondContact OD2-CB 3.49Å; D741-T744 PolarHBondContact OD2-N 3.38Å; D741-T744 PolarHBondContact OD2-OG1 3.32Å; D741-K745 PolarHBondContact O-N 2.9Å
742L90.8Very high91.6Very high3 Ų320.4 Ų20.42%0.01610%0.104CC..Hα-helixtrans-55.7-39.1174.8179.960.8000112.6H740 T744 K745 L746 F976 W977 R983 F986H740-L742 PolarHBondContact O-N 2.71Å; H740-L742 VanDerWaalsContact O-N 3.1Å; L742-T744 PolarHBondContact O-N 2.88Å; L742-K745 PolarHBondContact O-N 2.83Å; L742-L746 HydrophobicContact CD1-CD1 4.1Å; L742-L746 HydrophobicContact CD1-CD2 4.29Å; L742-L746 HydrophobicContact CD1-CG 3.94Å; L742-L746 HydrophobicContact CD2-CD1 4.43Å; L742-L746 HydrophobicContact CG-CD1 3.88Å; L742-L746 HydrophobicContact CG-CG 4.14Å; L742-L746 WeakPolarHBondContact O-CB 3.31Å; L742-L746 VanDerWaalsContact O-CG 3.26Å; L742-L746 WeakPolarHBondContact O-CG 3.33Å; L742-L746 PolarHBondContact O-N 3.48Å; L742-F976 HydrophobicContact CD1-CD1 4.34Å; L742-F976 HydrophobicContact CD1-CE1 3.94Å; L742-F976 HydrophobicContact CD2-CD1 4.47Å; L742-W977 HydrophobicContact CB-CZ2 4.49Å; L742-W977 HydrophobicContact CD2-CD2 4.23Å; L742-W977 HydrophobicContact CD2-CH2 4.31Å; L742-W977 HydrophobicContact CD2-CZ2 3.88Å; L742-R983 HydrophobicContact CD2-CB 4.38Å; L742-R983 HydrophobicContact CD2-CG 3.77Å; L742-F986 HydrophobicContact CD1-CB 3.45Å; L742-F986 VanDerWaalsContact CD1-CB 3.45Å; L742-F986 HydrophobicContact CD1-CG 4.49Å
743N91.1Very high91.4Very high49 Ų4918.9 Ų18.926%0.26210%0.098SC..Hα-helixtrans-68.8-37.6-176.1-69.4-60.7000111.6D741 L746 R747 Q973 W977D741-N743 VanDerWaalsContact C-N 3.26Å; D741-N743 PolarHBondContact O-N 3.08Å; D741-N743 PolarHBondContact OD1-N 3.42Å; N743-L746 PolarHBondContact O-N 2.98Å; N743-R747 WeakPolarHBondContact O-CB 3.17Å; N743-R747 VanDerWaalsContact O-CG 3.23Å; N743-R747 WeakPolarHBondContact O-CG 3.29Å; N743-R747 PolarHBondContact O-N 2.93Å; N743-Q973 PolarHBondContact OD1-NE2 3.04Å; N743-W977 PolarHBondContact OD1-NE1 3.48Å
744T90.8Very high91Very high18 Ų1819.7 Ų19.711%0.1110%0.102CC..Hα-helixtrans-58.6-48.1171.6-71.30000110.9D741 L742 L746 R747 L748 I868D741-T744 PolarHBondContact O-N 3.07Å; D741-T744 WeakPolarHBondContact OD2-CB 3.49Å; D741-T744 PolarHBondContact OD2-N 3.38Å; D741-T744 PolarHBondContact OD2-OG1 3.32Å; L742-T744 PolarHBondContact O-N 2.88Å; T744-L746 PolarHBondContact O-N 2.84Å; T744-R747 PolarHBondContact O-N 3.27Å; T744-L748 WeakPolarHBondContact O-CB 3.35Å; T744-L748 PolarHBondContact O-N 3.48Å; T744-I868 HydrophobicContact CG2-CG2 3.79Å
745K93Very high89.9Confident4 Ų422.1 Ų22.12%0.01712%0.118CC..Hα-helixtrans-60.5-45.4176.7-66.5-177.5-165.8-168.30112.7S736 I737 G739 D741 L742 L748 L749 F986 K988S736-K745 VanDerWaalsContact O-CG 3.25Å; S736-K745 WeakPolarHBondContact O-CG 3.48Å; I737-K745 WeakPolarHBondContact O-CE 3.48Å; I737-K745 PolarHBondContact O-NZ 3.31Å; G739-K745 WeakPolarHBondContact O-CE 3.38Å; G739-K745 PolarHBondContact O-NZ 3.36Å; D741-K745 PolarHBondContact O-N 2.9Å; L742-K745 PolarHBondContact O-N 2.83Å; K745-L748 PolarHBondContact O-N 3.16Å; K745-L749 WeakPolarHBondContact O-CG 3.4Å; K745-L749 PolarHBondContact O-N 3.13Å; K745-F986 VanDerWaalsContact CD-O 3.23Å; K745-F986 WeakPolarHBondContact CD-O 3.44Å; K745-F986 VanDerWaalsContact CE-O 3.28Å; K745-F986 WeakPolarHBondContact CE-O 3.32Å; K745-F986 PolarHBondContact NZ-O 3.49Å; K745-K988 PolarHBondContact NZ-O 3.02Å
746L93.1Very high88.9Confident0 Ų023.1 Ų23.10%013%0.13CC..Hα-helixtrans-66.4-38.4179.8-67-179.7000111.7L742 N743 T744 F750 F972 Q973 F976L742-L746 HydrophobicContact CD1-CD1 4.1Å; L742-L746 HydrophobicContact CD1-CD2 4.29Å; L742-L746 HydrophobicContact CD1-CG 3.94Å; L742-L746 HydrophobicContact CD2-CD1 4.43Å; L742-L746 HydrophobicContact CG-CD1 3.88Å; L742-L746 HydrophobicContact CG-CG 4.14Å; L742-L746 WeakPolarHBondContact O-CB 3.31Å; L742-L746 VanDerWaalsContact O-CG 3.26Å; L742-L746 WeakPolarHBondContact O-CG 3.33Å; L742-L746 PolarHBondContact O-N 3.48Å; N743-L746 PolarHBondContact O-N 2.98Å; T744-L746 PolarHBondContact O-N 2.84Å; L746-F750 WeakPolarHBondContact O-CB 3.33Å; L746-F750 PolarHBondContact O-N 3.48Å; L746-F972 HydrophobicContact CB-CE1 3.97Å; L746-F972 HydrophobicContact CD2-CE1 3.75Å; L746-F972 HydrophobicContact CD2-CZ 3.85Å; L746-F972 HydrophobicContact CG-CE1 4.33Å; L746-Q973 HydrophobicContact CB-CG 4.32Å; L746-Q973 HydrophobicContact CD1-CG 4.13Å; L746-F976 HydrophobicContact CD1-CB 4.02Å; L746-F976 HydrophobicContact CD1-CD1 3.92Å; L746-F976 HydrophobicContact CD1-CG 3.94Å; L746-F976 HydrophobicContact CD2-CB 4.43Å; L746-F976 HydrophobicContact CD2-CD1 3.84Å; L746-F976 HydrophobicContact CD2-CD2 3.6Å; L746-F976 HydrophobicContact CD2-CE1 3.93Å; L746-F976 HydrophobicContact CD2-CE2 3.7Å; L746-F976 HydrophobicContact CD2-CG 3.68Å; L746-F976 HydrophobicContact CD2-CZ 3.86Å; L746-F976 HydrophobicContact CG-CD1 4.45Å; L746-F976 HydrophobicContact CG-CG 4.48Å
747R92Very high88.1Confident30 Ų3024.1 Ų24.111%0.11313%0.133CC..Hα-helixtrans-65-43.5174-76.8169-176.9-177-1.2112.1N743 T744 F750 L751 F867 I868 N870 L969N743-R747 WeakPolarHBondContact O-CB 3.17Å; N743-R747 VanDerWaalsContact O-CG 3.23Å; N743-R747 WeakPolarHBondContact O-CG 3.29Å; N743-R747 PolarHBondContact O-N 2.93Å; T744-R747 PolarHBondContact O-N 3.27Å; R747-F750 PolarHBondContact O-N 3.06Å; R747-L751 VanDerWaalsContact O-CB 3.27Å; R747-L751 WeakPolarHBondContact O-CB 3.34Å; R747-L751 PolarHBondContact O-N 3.36Å; R747-F867 HydrophobicContact CG-CE1 4.44Å; R747-F867 PolarHBondContact NH1-O 3.44Å; R747-I868 HydrophobicContact CB-CG1 4.3Å; R747-I868 WeakPolarHBondContact CD-O 3.32Å; R747-I868 PolarHBondContact NH1-O 3.04Å; R747-N870 PolarHBondContact NH1-OD1 3.25Å; R747-N870 PolarHBondContact NH2-OD1 3.16Å; R747-L969 HydrophobicContact CG-CD1 4.27Å; R747-L969 HydrophobicContact CG-CD2 3.79Å
748L93.2Very high86.8Confident0 Ų026 Ų260%014%0.14CC..Hα-helixtrans-58.6-55.1175.3175.563.9000110.2W702 L716 L733 I737 T744 K745 F750 L751 L752 I868W702-L748 HydrophobicContact CH2-CD2 4.19Å; L716-L748 HydrophobicContact CD2-CD1 3.51Å; L733-L748 HydrophobicContact CD1-CD1 4.13Å; L733-L748 HydrophobicContact CD1-CD2 3.92Å; I737-L748 HydrophobicContact CD1-CD2 4.33Å; I737-L748 HydrophobicContact CG1-CD2 3.67Å; T744-L748 WeakPolarHBondContact O-CB 3.35Å; T744-L748 PolarHBondContact O-N 3.48Å; K745-L748 PolarHBondContact O-N 3.16Å; L748-F750 VanDerWaalsContact C-N 3.34Å; L748-F750 PolarHBondContact O-N 3.19Å; L748-L751 PolarHBondContact O-N 3.21Å; L748-L752 HydrophobicContact CD1-CD1 3.88Å; L748-L752 HydrophobicContact CD1-CD2 4.37Å; L748-L752 HydrophobicContact CD1-CG 3.98Å; L748-L752 HydrophobicContact CG-CD1 3.88Å; L748-L752 HydrophobicContact CG-CG 4.37Å; L748-L752 WeakPolarHBondContact O-CB 3.21Å; L748-L752 VanDerWaalsContact O-CG 3.24Å; L748-L752 WeakPolarHBondContact O-CG 3.36Å; L748-L752 PolarHBondContact O-N 3.34Å; L748-I868 HydrophobicContact CB-CD1 4.3Å; L748-I868 HydrophobicContact CB-CG2 4.27Å; L748-I868 HydrophobicContact CD1-CD1 3.8Å
749L93.4Very high85.2Confident0 Ų030 Ų300%016%0.164CC..Hα-helixtrans-58.3-45.3178.8-73.3172.9000111.9W702 L709 K745 L751 L752 H753 L891 T894 I898 F986W702-L749 HydrophobicContact CH2-CD2 3.89Å; W702-L749 HydrophobicContact CH2-CG 4.43Å; W702-L749 HydrophobicContact CZ2-CD2 4.38Å; W702-L749 HydrophobicContact CZ3-CD2 4.19Å; L709-L749 HydrophobicContact CD1-CD2 4.22Å; K745-L749 WeakPolarHBondContact O-CG 3.4Å; K745-L749 PolarHBondContact O-N 3.13Å; L749-L751 VanDerWaalsContact C-N 3.33Å; L749-L751 PolarHBondContact O-N 2.91Å; L749-L752 PolarHBondContact O-N 3.43Å; L749-H753 PolarHBondContact O-N 3.16Å; L749-H753 PolarHBondContact O-ND1 3.39Å; L749-L891 HydrophobicContact CB-CD1 3.9Å; L749-T894 HydrophobicContact CD2-CG2 4.31Å; L749-I898 HydrophobicContact CD2-CD1 4.23Å; L749-F986 HydrophobicContact CD1-CE1 3.99Å
750F92.4Very high83.3Confident1 Ų131 Ų310%0.00417%0.166CC..Hα-helixtrans-61.1-42.6178.3-170.5-90.3000111.7L746 R747 L748 I881 L883 L891 L967 L969 F972L746-F750 WeakPolarHBondContact O-CB 3.33Å; L746-F750 PolarHBondContact O-N 3.48Å; R747-F750 PolarHBondContact O-N 3.06Å; L748-F750 VanDerWaalsContact C-N 3.34Å; L748-F750 PolarHBondContact O-N 3.19Å; F750-I881 HydrophobicContact CD1-CG2 4.44Å; F750-I881 HydrophobicContact CE1-CB 4.38Å; F750-I881 HydrophobicContact CE1-CG2 3.75Å; F750-L883 HydrophobicContact CD1-CG 4.46Å; F750-L883 HydrophobicContact CD2-CD1 3.6Å; F750-L883 HydrophobicContact CD2-CG 4.06Å; F750-L883 HydrophobicContact CE1-CD2 4.39Å; F750-L883 HydrophobicContact CE1-CG 4.07Å; F750-L883 HydrophobicContact CE2-CB 4.49Å; F750-L883 HydrophobicContact CE2-CD1 3.57Å; F750-L883 HydrophobicContact CE2-CG 3.61Å; F750-L883 HydrophobicContact CG-CD1 4.17Å; F750-L883 HydrophobicContact CG-CG 4.46Å; F750-L883 HydrophobicContact CZ-CB 4.49Å; F750-L883 HydrophobicContact CZ-CD1 4.12Å; F750-L883 HydrophobicContact CZ-CD2 4.42Å; F750-L883 HydrophobicContact CZ-CG 3.63Å; F750-L891 HydrophobicContact CD2-CD2 4.12Å; F750-L967 WeakPolarHBondContact CZ-O 3.33Å; F750-L969 HydrophobicContact CB-CD1 3.77Å; F750-L969 HydrophobicContact CD1-CB 4.11Å; F750-L969 HydrophobicContact CD1-CD1 3.98Å; F750-L969 HydrophobicContact CD2-CD1 4.02Å; F750-L969 HydrophobicContact CE1-CB 3.84Å; F750-L969 HydrophobicContact CE2-CB 4.3Å; F750-L969 HydrophobicContact CG-CB 4.43Å; F750-L969 HydrophobicContact CG-CD1 3.67Å; F750-L969 HydrophobicContact CZ-CB 3.94Å; F750-F972 HydrophobicContact CB-CD1 4.49Å; F750-F972 HydrophobicContact CD2-CB 4.23Å; F750-F972 AromaticContact CD2-CD1 3.87Å; F750-F972 HydrophobicContact CD2-CD1 3.87Å; F750-F972 HydrophobicContact CD2-CG 4.18Å; F750-F972 HydrophobicContact CE2-CB 4.22Å
751L90.3Very high81.1Confident1 Ų132.1 Ų32.11%0.00518%0.175CC..Hα-helixtrans-70-39.3-179.6-170.659.3000112.7L716 R747 L748 L749 H753 R754 Y757 I861 P864 I868L716-L751 HydrophobicContact CD1-CD2 3.78Å; L716-L751 HydrophobicContact CD1-CG 4.42Å; R747-L751 VanDerWaalsContact O-CB 3.27Å; R747-L751 WeakPolarHBondContact O-CB 3.34Å; R747-L751 PolarHBondContact O-N 3.36Å; L748-L751 PolarHBondContact O-N 3.21Å; L749-L751 VanDerWaalsContact C-N 3.33Å; L749-L751 PolarHBondContact O-N 2.91Å; L751-H753 PolarHBondContact O-N 2.91Å; L751-R754 WeakPolarHBondContact O-CB 3.35Å; L751-R754 PolarHBondContact O-N 3.16Å; L751-Y757 HydrophobicContact CD1-CE2 4.12Å; L751-Y757 HydrophobicContact CG-CD2 4.41Å; L751-Y757 HydrophobicContact CG-CE2 4.07Å; L751-I861 HydrophobicContact CD1-CD1 3.36Å; L751-I861 HydrophobicContact CD2-CD1 4.25Å; L751-I861 HydrophobicContact CG-CD1 4.47Å; L751-P864 HydrophobicContact CD2-CB 3.96Å; L751-I868 HydrophobicContact CD2-CD1 3.77Å; L751-I868 HydrophobicContact CD2-CG1 4.13Å
752L91.7Very high78.6Confident0 Ų036.5 Ų36.50%019%0.194CC..Hα-helixtrans-62.3-22.1-180-72.4173.7000113.7L709 P712 C713 L716 L748 L749 W758L709-L752 HydrophobicContact CD2-CB 4.24Å; L709-L752 HydrophobicContact CD2-CD1 4.03Å; P712-L752 HydrophobicContact CB-CB 4.4Å; P712-L752 HydrophobicContact CB-CD2 3.93Å; C713-L752 HydrophobicContact CB-CD2 4.43Å; C713-L752 VanDerWaalsContact SG-CD1 3.54Å; L716-L752 HydrophobicContact CB-CD2 4.17Å; L716-L752 HydrophobicContact CD2-CD2 3.78Å; L716-L752 HydrophobicContact CD2-CG 4.45Å; L748-L752 HydrophobicContact CD1-CD1 3.88Å; L748-L752 HydrophobicContact CD1-CD2 4.37Å; L748-L752 HydrophobicContact CD1-CG 3.98Å; L748-L752 HydrophobicContact CG-CD1 3.88Å; L748-L752 HydrophobicContact CG-CG 4.37Å; L748-L752 WeakPolarHBondContact O-CB 3.21Å; L748-L752 VanDerWaalsContact O-CG 3.24Å; L748-L752 WeakPolarHBondContact O-CG 3.36Å; L748-L752 PolarHBondContact O-N 3.34Å; L749-L752 PolarHBondContact O-N 3.43Å; L752-W758 WeakPolarHBondContact O-CB 3.31Å
753H91Very high76Confident0 Ų042.4 Ų42.40%022%0.221CC..THydrogen-bonded Turntrans-92.23.6177.3-66.182.3000113.1L749 L751 W758 Q887 C890 L891 T894L749-H753 PolarHBondContact O-N 3.16Å; L749-H753 PolarHBondContact O-ND1 3.39Å; L751-H753 PolarHBondContact O-N 2.91Å; H753-W758 AromaticContact CD2-CD2 3.98Å; H753-W758 AromaticContact CD2-CE3 3.88Å; H753-W758 AromaticContact NE2-CH2 3.93Å; H753-W758 AromaticContact NE2-CZ3 3.79Å; H753-Q887 WeakPolarHBondContact O-CB 3.17Å; H753-Q887 WeakPolarHBondContact O-CG 3.44Å; H753-C890 PolarHBondContact NE2-O 3.27Å; H753-L891 HydrophobicContact CB-CB 4.31Å; H753-L891 PolarHBondContact CD2-N 3.42Å; H753-T894 WeakPolarHBondContact NE2-CB 3.22Å; H753-T894 PolarHBondContact NE2-OG1 2.8Å
754R85.8Confident73.1Confident18 Ų1849.1 Ų49.17%0.06824%0.243CC..SBendtrans-92.8151.3174.8-134.5-170.582.6178.69.8110.9L751 Y757 W758 I859 L883L751-R754 WeakPolarHBondContact O-CB 3.35Å; L751-R754 PolarHBondContact O-N 3.16Å; R754-Y757 PolarHBondContact O-N 3.24Å; R754-W758 PolarHBondContact O-N 2.89Å; R754-W758 VanDerWaalsContact O-N 3.1Å; R754-I859 PolarHBondContact NH1-O 3.35Å; R754-I859 VanDerWaalsContact NH2-C 3.29Å; R754-I859 PolarHBondContact NH2-O 3.24Å; R754-L883 HydrophobicContact CB-CD2 4.24Å; R754-L883 HydrophobicContact CG-CD2 3.99Å
755S69.9Low70Confident50 Ų5054.6 Ų54.635%0.3527%0.272SS..THydrogen-bonded Turntrans-65.3138.1164-178.30000109.5
756P70.4Confident66.8Low84 Ų8463 Ų6355%0.54531%0.311SS..THydrogen-bonded Turncis-90.5-2.911.236.1-36.4000116
757Y75.3Confident63.5Low32 Ų3268.1 Ų68.113%0.12535%0.347CS..THydrogen-bonded Turntrans-73.1-39.3-169.3-46.7-65.9000113.4P712 H715 L716 L751 R754 P864P712-Y757 WeakPolarHBondContact CA-O 3.15Å; H715-Y757 HydrophobicContact CB-CD1 4.06Å; L716-Y757 HydrophobicContact CB-CD1 4.11Å; L716-Y757 HydrophobicContact CB-CE1 4.22Å; L716-Y757 HydrophobicContact CD1-CE1 4.08Å; L716-Y757 HydrophobicContact CD1-CE2 4.26Å; L751-Y757 HydrophobicContact CD1-CE2 4.12Å; L751-Y757 HydrophobicContact CG-CD2 4.41Å; L751-Y757 HydrophobicContact CG-CE2 4.07Å; R754-Y757 PolarHBondContact O-N 3.24Å; Y757-P864 WeakPolarHBondContact OH-CG 3.3Å
758W65.6Low60.3Low40 Ų4075.3 Ų75.315%0.15238%0.379CS..  trans-95.6113.8174.9-161.9-94.5000110.8R708 L709 P712 L752 H753 R754 C890R708-W758 HydrophobicContact CB-CH2 4.25Å; L709-W758 HydrophobicContact CD2-CE3 4.43Å; L709-W758 HydrophobicContact CD2-CZ3 3.7Å; P712-W758 HydrophobicContact CB-CE3 4.32Å; P712-W758 HydrophobicContact CG-CE3 3.57Å; P712-W758 HydrophobicContact CG-CZ3 3.95Å; L752-W758 WeakPolarHBondContact O-CB 3.31Å; H753-W758 AromaticContact CD2-CD2 3.98Å; H753-W758 AromaticContact CD2-CE3 3.88Å; H753-W758 AromaticContact NE2-CH2 3.93Å; H753-W758 AromaticContact NE2-CZ3 3.79Å; R754-W758 PolarHBondContact O-N 2.89Å; R754-W758 VanDerWaalsContact O-N 3.1Å; W758-C890 HydrophobicContact CZ2-CB 4.04Å
759V56.3Low57.1Low86 Ų8686.5 Ų86.552%0.52142%0.421SS..  trans-106.6108.8172.6-176.10000108Q763V759-Q763 HydrophobicContact CG1-CB 4.48Å
760T47.6Very low53.8Low40 Ų4094.3 Ų94.325%0.24546%0.463CS..  trans-66.2139.7170.935.20000109.5E762 Q763T760-E762 PolarHBondContact O-N 3.26Å; T760-Q763 PolarHBondContact O-N 3.06Å
761L41.1Very low50.6Low153 Ų153102 Ų10280%0.80150%0.502SS*.G310 helixtrans-51.2-23.3177.5-96143.4000113.6
762E36.9Very low47.4Very low157 Ų157110.2 Ų110.273%0.73455%0.546SS*.G310 helixtrans-74.2-23.6177.2-66.7177.8161.300114T760 R764T760-E762 PolarHBondContact O-N 3.26Å; E762-R764 VanDerWaalsContact C-N 3.33Å; E762-R764 PolarHBondContact O-N 3.19Å
763Q34.5Very low44.2Very low127 Ų127114 Ų11459%0.59359%0.585SS**G310 helixtrans-83.6-4.6178.5-71.4-176.5-18.500113.9V759 T760 N765V759-Q763 HydrophobicContact CG1-CB 4.48Å; T760-Q763 PolarHBondContact O-N 3.06Å; Q763-N765 VanDerWaalsContact C-N 3.26Å; Q763-N765 PolarHBondContact O-N 3.07Å
764R30.9Very low41Very low190 Ų190117.7 Ų117.772%0.71762%0.622SS**G310 helixtrans-77.7-6.3172.4-89.1-173.3176.8-173.8-0.7114.1E762E762-R764 VanDerWaalsContact C-N 3.33Å; E762-R764 PolarHBondContact O-N 3.19Å
765N25.5Very low38.1Very low133 Ų133125.9 Ų125.971%0.71166%0.663SS**G310 helixtrans-109.413.6-170.1-77.5-15.4000115.9Q763Q763-N765 VanDerWaalsContact C-N 3.26Å; Q763-N765 PolarHBondContact O-N 3.07Å
766E25.2Very low35.8Very low182 Ų182131.4 Ų131.485%0.8569%0.688SS**SBendtrans-111.145.2172.1-71-168.7167.500112.5
767S25.7Very low33.8Very low106 Ų106133.2 Ų133.274%0.74170%0.7SS**SBendtrans175.7112.7139.736.40000110.8
768K24.7Very low31.3Very low182 Ų182141.1 Ų141.179%0.79174%0.736SS**SBendtrans75.590.1175.5-61.5178.5173.5176.30116.5
769W25.1Very low29.3Very low234 Ų234146.1 Ų146.189%0.88677%0.765SS**  160.3114.1104.2-78.1109.3000109.5
770N23.8Very low27.8Very low165 Ų165149.6 Ų149.688%0.88278%0.781SS**  trans-80.2116.5173.4-86.4-28.7000110.5
771I25.4Very low26.6Very low161 Ų161155.3 Ų155.383%0.82681%0.808SS**  trans-145.8122.5143.1-59.1-172000109.1
772L23.8Very low25.8Very low175 Ų175156.2 Ų156.292%0.91681%0.808SS**  trans-10140.4165.9-63.7123000117.2
773G23.5Very low25.2Very low80 Ų80154.2 Ų154.283%0.82581%0.812SS**  cis149.6140.91400000107.9
774G23.5Very low24.5Very low76 Ų76154 Ų15478%0.78482%0.823SS**  trans129.9119.5160.700000117.4
775M24.6Very low24.3Very low190 Ų190154.6 Ų154.694%0.93683%0.83SS**  trans105.685.9152.4-60.1-162.4142.300117.9
776L23.5Very low24.2Very low166 Ų166156.9 Ų156.987%0.86983%0.834SS**  trans-103.2149.7133.6-72.2169.1000107.7
777P27.3Very low24.2Very low122 Ų122154.4 Ų154.479%0.79283%0.827SS**  trans-140.4116.8138.432.7-15.8000112.4
778F22.4Very low24.2Very low199 Ų199154.2 Ų154.287%0.87383%0.826SS**  trans-112114.8145.1-89.1-80.2000107.4
779N23.7Very low24.1Very low145 Ų145152.6 Ų152.678%0.77583%0.826SS**  trans168116.1139.9-86.5-17000109
780N25.2Very low24.3Very low158 Ų158149.1 Ų149.185%0.84582%0.824SS**  177.3122.1111.7-87.9-20000111.3
781I22Very low24.3Very low161 Ų161145.9 Ų145.983%0.82682%0.815SS**  trans-77.3124.3150.8-63.8169.7000105.8
782E23.9Very low24.3Very low171 Ų171146 Ų14680%0.79982%0.816SS**  171.3114128.4-95.2-173.7167.100113.3
783S24.4Very low24.3Very low116 Ų116142.4 Ų142.481%0.81181%0.805SS**  trans74.4133.1132.879.70000122.6
784C21.3Very low24.2Very low121 Ų121144.3 Ų144.382%0.81881%0.805SS**  trans-57.4144.8175.7-61.40000116.5
785K26.7Very low24.2Very low203 Ų203148.1 Ų148.188%0.88381%0.807SS**  trans-177.4105.8134-98.4164.1-173.1-179.70108
786K23.4Very low24.1Very low182 Ų182145.9 Ų145.979%0.79181%0.805SS**  68.5120.391.8-95.6-166.3174.4-168.40116.6
787D24.1Very low24.3Very low130 Ų130142.5 Ų142.570%0.69580%0.795SS**  trans90.3105.7140.4-57.1-21.7000121.1
788S25.8Very low24.2Very low102 Ų102145 Ų14571%0.71380%0.8SS**  118.1119.3111.8690000119.6
789N23.6Very low24.3Very low148 Ų148142 Ų14279%0.79179%0.792SS**  trans52.5114138.1-59.9-13.5000121.1
790N28.8Very low24.3Very low161 Ų161139 Ų13986%0.86178%0.783SS**  -172.5146.4100.7-102.3-14.3000113.6
791S22.5Very low24.2Very low97 Ų97143 Ų14368%0.67879%0.788SS**  trans-78.6151.2-177.951.90000115.5
792L25.6Very low24.3Very low163 Ų163143.3 Ų143.385%0.85379%0.786SS**  trans151.6148.5140.1-107.381.8000107.4
793S24.4Very low24.3Very low99 Ų99142.4 Ų142.469%0.69279%0.785SS**  cis-167.8156.5-11.438.60000105.1
794C21.3Very low24.3Very low121 Ų121142.1 Ų142.182%0.81878%0.782SS**  trans-49136.2175.1-56.40000113.1
795D24Very low24.4Very low155 Ų155141.4 Ų141.483%0.82978%0.778SS**  trans-148.4119.9142.1-96.8-31.3000110.2S797D795-S797 PolarHBondContact O-N 3.39Å
796T23.3Very low24.4Very low144 Ų144140 Ų14088%0.88377%0.772SS**  trans-68.6114.1167.638.20000109.7
797S26.4Very low24.5Very low95 Ų95136.4 Ų136.466%0.66477%0.77SS**  trans-132.8117.4158.146.70000109.2D795 D799D795-S797 PolarHBondContact O-N 3.39Å; S797-D799 PolarHBondContact O-N 2.88Å
798I24.6Very low24.5Very low174 Ų174136.4 Ų136.489%0.89277%0.77SS**  trans-78107.3167.4-69.4164.5000104.6
799D24.6Very low24.7Very low135 Ų135141.6 Ų141.672%0.72278%0.78SS**  trans-128.6114.9173.5-92.8-37.4000111.7S797S797-D799 PolarHBondContact O-N 2.88Å
800S24.7Very low24.9Very low83 Ų83141 Ų14158%0.5878%0.776SS**  trans43.9104.8141.354.10000119.4H802S800-H802 PolarHBondContact O-N 2.89Å
801Y22.7Very low24.7Very low241 Ų241138.7 Ų138.795%0.94577%0.768SS**  trans-60.886.7149.6-78.3-88.2000109.5I803Y801-I803 PolarHBondContact O-N 3.37Å
802H24.8Very low24.9Very low169 Ų169141 Ų14178%0.78278%0.778SS**  trans-74104.6163-103.8-68.6000108.6S800 C804S800-H802 PolarHBondContact O-N 2.89Å; H802-C804 PolarHBondContact O-N 3.31Å; H802-C804 VanDerWaalsContact O-N 3.12Å
803I24.3Very low24.9Very low152 Ų152141.6 Ų141.678%0.77978%0.776SS**  trans-56.8112159.6-65.8169.6000106.5Y801 S805Y801-I803 PolarHBondContact O-N 3.37Å; I803-S805 VanDerWaalsContact C-N 3.32Å; I803-S805 PolarHBondContact O-N 3.18Å
804C23.1Very low24.8Very low110 Ų110145.1 Ų145.174%0.74379%0.786SS**  trans-70.492.9172.9-169.40000108.4H802 K806H802-C804 PolarHBondContact O-N 3.31Å; H802-C804 VanDerWaalsContact O-N 3.12Å; C804-K806 PolarHBondContact O-N 2.93Å
805S24.2Very low25.1Very low105 Ų105142.5 Ų142.573%0.73478%0.779SS**  trans-7199.915759.50000108.4I803I803-S805 VanDerWaalsContact C-N 3.32Å; I803-S805 PolarHBondContact O-N 3.18Å
806K25.7Very low25.1Very low175 Ų175140.3 Ų140.376%0.76177%0.771SS**  trans-12692.1153.6-85.7-169.7174.1-174.20108.4C804C804-K806 PolarHBondContact O-N 2.93Å
807S26.3Very low25.1Very low106 Ų106140 Ų14074%0.74176%0.764SS**  trans-58.2123150.747.60000109.2
808D23.9Very low25.1Very low130 Ų130143.4 Ų143.470%0.69577%0.773SS**  trans-151.771.9156.5-78.7-37.4000106.9
809F29.1Very low25Very low211 Ų211141.8 Ų141.893%0.92577%0.765SS**  trans-110.585.1152.7-95.4-81.3000105.3T811F809-T811 PolarHBondContact O-N 3.4Å
810D27.8Very low25Very low135 Ų135139.8 Ų139.872%0.72277%0.767SS**  trans-71.6122.9177-107.9-29000110.2
811T25.1Very low25.1Very low113 Ų113142.6 Ų142.669%0.69377%0.771SS**  trans51.485.8137.821.90000117.7F809F809-T811 PolarHBondContact O-N 3.4Å
812V26.2Very low25.2Very low145 Ų145139.9 Ų139.988%0.87977%0.767SS**  trans-89.9116.3136.71780000106.4
813E25.5Very low25.3Very low175 Ų175138.3 Ų138.382%0.81877%0.774SS**  trans-51.2138.4175.6-76.5178.4144.100111.7G815E813-G815 PolarHBondContact O-N 2.7Å
814I24.1Very low25.3Very low174 Ų174138.3 Ų138.389%0.89277%0.774SS**  trans-57113.2168.5-65.7161.8000108.3
815G26Very low25.4Very low65 Ų65139.9 Ų139.967%0.6777%0.77SS**  trans-124.880.4169.200000110.1E813E813-G815 PolarHBondContact O-N 2.7Å
816T24.5Very low25.6Very low110 Ų110143.1 Ų143.168%0.67577%0.771SS**  trans40.1115.8141.141.50000119.9
817D23.8Very low25.4Very low138 Ų138143.3 Ų143.374%0.73878%0.775SS**  33.7105129.9-58.5-31.6000117.6
818I25.7Very low25.5Very low166 Ų166147.9 Ų147.985%0.85178%0.781SS**  trans-100.476.8150.7-55.4179.4000107A820I818-A820 HydrophobicContact CG2-CB 4.49Å
819I23.6Very low25.4Very low139 Ų139148.1 Ų148.171%0.71379%0.787SS**  trans-81.7106146.2-59.7174.7000104.3E821I819-E821 PolarHBondContact O-N 3.16Å; I819-E821 VanDerWaalsContact O-N 3.13Å
820A24.7Very low25.7Very low94 Ų94143 Ų14378%0.77778%0.775SS**  trans-77.392.2169.700000108.5I818I818-A820 HydrophobicContact CG2-CB 4.49Å
821E26.4Very low25.5Very low142 Ų142143.6 Ų143.666%0.66478%0.779SS**  trans-119.9131.9152.5-92.1-174.2-178.200108.9K342 I819K342-E821 IonicContact NZ-OE1 3.81Å; K342-E821 PolarHBondContact NZ-OE1 2.79Å; I819-E821 PolarHBondContact O-N 3.16Å; I819-E821 VanDerWaalsContact O-N 3.13Å
822E24.8Very low25.7Very low183 Ų183145.2 Ų145.286%0.85578%0.783SS**  trans-61.8140.6179.1-65.3172.9127.100112.2
823C27Very low25.7Very low137 Ų137146.5 Ų146.593%0.92678%0.777SS**  trans-150.8133.9141.9-101.40000111.9
824I24Very low25.5Very low151 Ų151145.7 Ų145.777%0.77478%0.778SS**  trans-78.4160.3-176.6-73.1163.5000111
825E24.1Very low25.8Very low144 Ų144142.4 Ų142.467%0.67378%0.777SS**  trans90.5100.6154.3-100.5-179.9-152.500120.4
826K28.4Very low25.7Very low173 Ų173148.3 Ų148.375%0.75279%0.787SS**  158.8117.198.2-92.5164.9-177.3139.60114.8
827Q23.2Very low25.9Very low178 Ų178149.6 Ų149.683%0.83279%0.794SS**  trans-2.6129.5146.5-62.7176.3-14.900119.6
828K26.7Very low25.9Very low203 Ų203148.2 Ų148.288%0.88380%0.795SS**  171.8134.4110.4-92.8173.9-177.7-179.60113.2
829T23.8Very low26Very low134 Ų134150.2 Ų150.282%0.82280%0.798SS**  trans-91-175.3161.948.20000110.1
830P34.4Very low26.2Very low103 Ų103149 Ų14967%0.66980%0.802SS**  cis-132-171.8-49.235.2-15.9000113.6
831D23.3Very low26.2Very low149 Ų149153.7 Ų153.780%0.79781%0.807SS**  trans78.8116.5155.8-65.5-21.2000123.5
832N29.3Very low26.3Very low146 Ų146153.5 Ų153.578%0.78182%0.816SS**  175.5117.7124.8-109.8-22.1000110.5
833K25.8Very low26.4Very low173 Ų173149 Ų14975%0.75280%0.804SS**  56.6112.490.3-70.1-171.9179.2177.20117.2
834N23.1Very low26.3Very low157 Ų157151.5 Ų151.584%0.8480%0.802SS**  trans67.4112.3139.1-58.6-5.9000120
835A29.6Very low26.4Very low105 Ų105154.2 Ų154.287%0.86880%0.804SS**  trans-153.4132137.700000110.5
836E23.1Very low26.6Very low190 Ų190153.6 Ų153.689%0.88881%0.806SS**  trans-72.4142.4-172.5-61.6159138.700113.2
837V28.6Very low26.6Very low136 Ų136151 Ų15182%0.82480%0.799SS**  trans-139.5117.3145.9-178.30000109.7
838S24Very low26.9Very low109 Ų109150.7 Ų150.776%0.76280%0.798SS**  trans-27.9120.716431.70000116.8
839K28.6Very low27Very low208 Ų208148 Ų14890%0.90479%0.792SS**  trans-134134.8150-81.8-172.5179.4176.40111.2
840S28.2Very low27.2Very low113 Ų113145.1 Ų145.179%0.7978%0.781SS**  trans-62.2141.3-175.345.60000114.2V842S840-V842 PolarHBondContact O-N 3.03Å
841H23.9Very low27Very low194 Ų194146.6 Ų146.690%0.89878%0.779SS**  trans-46.7118.6162.9-80.6-39.1000113.5
842V28.4Very low27.4Very low138 Ų138148.3 Ų148.384%0.83678%0.78SS**  trans-142.1135.8138.1-179.10000107.4S840S840-V842 PolarHBondContact O-N 3.03Å
843S26.9Very low27.5Very low89 Ų89150.7 Ų150.762%0.62278%0.783SS**  trans-53.7128.6-16255.80000117.8Y845S843-Y845 VanDerWaalsContact C-N 3.26Å; S843-Y845 PolarHBondContact O-N 3.07Å
844E25.5Very low27.9Very low189 Ų189146.5 Ų146.588%0.88378%0.78SS**SBendtrans-85.532.7173.9-151.6169-15500113
845Y26.8Very low28.4Very low207 Ų207145.8 Ų145.881%0.81278%0.777SS**  trans-114.510.8-173.9-140.2-95.8000115S843S843-Y845 VanDerWaalsContact C-N 3.26Å; S843-Y845 PolarHBondContact O-N 3.07Å
846N28.1Very low29.3Very low132 Ų132146.6 Ų146.671%0.70676%0.762SS**SBendtrans-122.48.8-179.1-79.3-27.1000115.1
847L28.7Very low30.6Very low118 Ų118144.8 Ų144.862%0.61876%0.757SS**SBendtrans-95.4-11.8-179.8-92.1148.3000114.7
848E27.5Very low31.9Very low171 Ų171141.7 Ų141.780%0.79974%0.74SS**THydrogen-bonded Turntrans-86.1-7.4179.8-81.8-171.2145.900115.1
849I29.6Very low33.7Very low147 Ų147139.9 Ų139.975%0.75472%0.721SS**THydrogen-bonded Turntrans-103.2-19.1180-61179.5000112.3
850A28.7Very low35.4Very low73 Ų73135.6 Ų135.660%0.60371%0.712SS**THydrogen-bonded Turntrans-83.4-26.417600000113.8K852A850-K852 PolarHBondContact O-N 3.17Å
851H30Very low37.5Very low135 Ų135130.8 Ų130.863%0.62568%0.677SS**THydrogen-bonded Turntrans-82.7-2.3-177.9-85.8-74.2000115.7
852K30.3Very low39.6Very low185 Ų185127.3 Ų127.380%0.80467%0.672SS**THydrogen-bonded Turntrans-95.6-0-179.1-88.4-178.2177.4172.80115.7A850A850-K852 PolarHBondContact O-N 3.17Å
853K32.9Very low42Very low195 Ų195123 Ų12385%0.84864%0.644SS**SBendtrans-116.43.2-176.9-83.1-173.8174.5-177.70116.4
854A32.7Very low44.4Very low85 Ų85119.1 Ų119.170%0.70262%0.617SS**SBendtrans-110.80178.700000115E856A854-E856 PolarHBondContact O-N 3.36Å
855N34.8Very low47.2Very low142 Ų142111.4 Ų111.476%0.75958%0.582SS**  trans-96.676.2-174.8-75.6-12.3000112.3
856E47.5Very low49.6Very low122 Ų122101.7 Ų101.757%0.5754%0.544SS*.PPolyproline II helixtrans-88.9117.7143.5-89.7177.3-161.900107A854 P858 R966A854-E856 PolarHBondContact O-N 3.36Å; E856-P858 VanDerWaalsContact O-CD 3.28Å; E856-P858 WeakPolarHBondContact O-CD 3.45Å; E856-P858 VanDerWaalsContact O-N 3.11Å; E856-R966 IonicContact OE1-CZ 3.24Å; E856-R966 IonicContact OE1-NE 3.16Å; E856-R966 PolarHBondContact OE1-NE 3.1Å; E856-R966 IonicContact OE1-NH2 3.36Å; E856-R966 PolarHBondContact OE1-NH2 3.37Å; E856-R966 IonicContact OE2-CZ 3.51Å; E856-R966 IonicContact OE2-NE 2.96Å; E856-R966 PolarHBondContact OE2-NE 2.7Å; E856-R966 IonicContact OE2-NH2 3.75Å; E856-R966 PolarHBondContact OE2-NH2 3.49Å
857I50.1Low52.1Low153 Ų15395.6 Ų95.679%0.78551%0.512SS*.PPolyproline II helixtrans-57.7117170.2-61.3167.6000105.9I859I857-I859 PolarHBondContact O-N 2.91Å; I857-I859 VanDerWaalsContact O-N 3.11Å
858P56.4Low54.4Low71 Ų7190 Ų9046%0.46148%0.482SS..PPolyproline II helixtrans-58.1123.2-18020.2-29.4000108.5E856 V860E856-P858 VanDerWaalsContact O-CD 3.28Å; E856-P858 WeakPolarHBondContact O-CD 3.45Å; E856-P858 VanDerWaalsContact O-N 3.11Å; P858-V860 PolarHBondContact O-N 3.5Å
859I62.6Low56.8Low71 Ų7183.6 Ų83.636%0.36446%0.456SS..  trans-63.494.1-178.8-66.6158.2000108.7R754 I857 I861 Q880R754-I859 PolarHBondContact NH1-O 3.35Å; R754-I859 VanDerWaalsContact NH2-C 3.29Å; R754-I859 PolarHBondContact NH2-O 3.24Å; I857-I859 PolarHBondContact O-N 2.91Å; I857-I859 VanDerWaalsContact O-N 3.11Å; I859-I861 PolarHBondContact O-N 3.35Å; I859-I861 VanDerWaalsContact O-N 3.12Å; I859-Q880 HydrophobicContact CD1-CB 4Å; I859-Q880 WeakPolarHBondContact CD1-O 3.43Å
860V64.6Low58.9Low118 Ų11880.8 Ų80.872%0.71544%0.443SS*.  trans-62.5118.6-179.4-177.40000108.1P858 P862P858-V860 PolarHBondContact O-N 3.5Å; V860-P862 VanDerWaalsContact O-CD 3.29Å; V860-P862 WeakPolarHBondContact O-CD 3.28Å
861I71.3Confident60.6Low11 Ų1184.8 Ų84.86%0.05645%0.447CS..  trans-78.9117174.7-56.7-177.3000106.1L751 I859 D863 P864 F867 I881L751-I861 HydrophobicContact CD1-CD1 3.36Å; L751-I861 HydrophobicContact CD2-CD1 4.25Å; L751-I861 HydrophobicContact CG-CD1 4.47Å; I859-I861 PolarHBondContact O-N 3.35Å; I859-I861 VanDerWaalsContact O-N 3.12Å; I861-D863 VanDerWaalsContact C-N 3.26Å; I861-D863 PolarHBondContact O-N 2.95Å; I861-P864 HydrophobicContact CB-CG 4.46Å; I861-P864 WeakPolarHBondContact O-CD 3.31Å; I861-F867 HydrophobicContact CD1-CD1 4.18Å; I861-F867 HydrophobicContact CD1-CE1 4.46Å; I861-F867 HydrophobicContact CD1-CG 4.45Å; I861-F867 HydrophobicContact CG2-CB 4Å; I861-F867 HydrophobicContact CG2-CG 4.45Å; I861-I881 HydrophobicContact CD1-CD1 3.47Å; I861-I881 VanDerWaalsContact CD1-CD1 3.47Å; I861-I881 HydrophobicContact CD1-CG1 4.27Å; I861-I881 HydrophobicContact CG1-CD1 4.14Å
862P68.3Low61.9Low121 Ų12184.1 Ų84.179%0.78644%0.439SS*.SBendtrans-66-28.8-174.2-21.833.7000113.6V860V860-P862 VanDerWaalsContact O-CD 3.29Å; V860-P862 WeakPolarHBondContact O-CD 3.28Å
863D78.2Confident62.9Low47 Ų4781.4 Ų81.425%0.25144%0.444SS..  trans-13784.2175.3-179.93.1000109.8I861 L865 G866 F867 Y872I861-D863 VanDerWaalsContact C-N 3.26Å; I861-D863 PolarHBondContact O-N 2.95Å; D863-L865 VanDerWaalsContact C-N 3.27Å; D863-L865 PolarHBondContact O-N 2.99Å; D863-L865 PolarHBondContact OD1-N 3.5Å; D863-G866 PolarHBondContact O-N 3.27Å; D863-G866 PolarHBondContact OD1-N 3.38Å; D863-G866 WeakPolarHBondContact OD2-CA 3.26Å; D863-F867 PolarHBondContact O-N 3.34Å; D863-Y872 HydrophobicContact CB-CE2 4.2Å; D863-Y872 VanDerWaalsContact OD2-CE2 3.25Å; D863-Y872 WeakPolarHBondContact OD2-CE2 3.38Å; D863-Y872 PolarHBondContact OD2-OH 3.48Å
864P78Confident63.9Low9 Ų972.8 Ų72.86%0.05841%0.408CS..Hα-helixtrans-54.6-39179.2-27.434.1000113.8L716 L751 Y757 I861 I868L716-P864 HydrophobicContact CD1-CB 3.58Å; L751-P864 HydrophobicContact CD2-CB 3.96Å; Y757-P864 WeakPolarHBondContact OH-CG 3.3Å; I861-P864 HydrophobicContact CB-CG 4.46Å; I861-P864 WeakPolarHBondContact O-CD 3.31Å; P864-I868 WeakPolarHBondContact O-CG1 3.29Å; P864-I868 PolarHBondContact O-N 3.18Å; P864-I868 VanDerWaalsContact O-N 3.15Å
865L83.4Confident65Low27 Ų2778.7 Ų78.714%0.14141%0.412CS..Hα-helixtrans-76.1-40.4-176.2-55.3175.3000111.1L716 L717 W732 D863 F867 I868 S869L716-L865 HydrophobicContact CG-CD2 4.45Å; L717-L865 HydrophobicContact CD2-CD2 3.9Å; W732-L865 HydrophobicContact CD2-CD2 4.09Å; W732-L865 HydrophobicContact CE3-CD2 3.64Å; W732-L865 HydrophobicContact CH2-CB 4.29Å; W732-L865 HydrophobicContact CH2-CD2 3.38Å; W732-L865 HydrophobicContact CH2-CG 4.42Å; W732-L865 HydrophobicContact CZ2-CB 3.88Å; W732-L865 HydrophobicContact CZ2-CD2 3.83Å; W732-L865 HydrophobicContact CZ2-CG 4.44Å; W732-L865 WeakPolarHBondContact CZ2-O 3.36Å; W732-L865 HydrophobicContact CZ3-CD2 3.29Å; D863-L865 VanDerWaalsContact C-N 3.27Å; D863-L865 PolarHBondContact O-N 2.99Å; D863-L865 PolarHBondContact OD1-N 3.5Å; L865-F867 VanDerWaalsContact C-N 3.32Å; L865-F867 PolarHBondContact O-N 2.98Å; L865-I868 PolarHBondContact O-N 2.97Å; L865-S869 WeakPolarHBondContact O-CB 3.25Å; L865-S869 PolarHBondContact O-N 3.21Å; L865-S869 PolarHBondContact O-OG 2.77Å
866G78.8Confident66Low2 Ų277.6 Ų77.62%0.02141%0.406CS..Hα-helixtrans-63.6-36172.600000113D863 S869 N870 K871D863-G866 PolarHBondContact O-N 3.27Å; D863-G866 PolarHBondContact OD1-N 3.38Å; D863-G866 WeakPolarHBondContact OD2-CA 3.26Å; G866-S869 WeakPolarHBondContact CA-OG 3.47Å; G866-S869 PolarHBondContact O-OG 3.35Å; G866-N870 PolarHBondContact O-N 3.45Å; G866-K871 PolarHBondContact O-N 3.47Å; G866-K871 VanDerWaalsContact O-N 3.12Å
867F79.1Confident66.7Low5 Ų574.3 Ų74.32%0.02239%0.392CS..Hα-helixtrans-62.9-48.2173.1173.9-102000112R747 I861 D863 L865 S869 N870 I877 I881 L969R747-F867 HydrophobicContact CG-CE1 4.44Å; R747-F867 PolarHBondContact NH1-O 3.44Å; I861-F867 HydrophobicContact CD1-CD1 4.18Å; I861-F867 HydrophobicContact CD1-CE1 4.46Å; I861-F867 HydrophobicContact CD1-CG 4.45Å; I861-F867 HydrophobicContact CG2-CB 4Å; I861-F867 HydrophobicContact CG2-CG 4.45Å; D863-F867 PolarHBondContact O-N 3.34Å; L865-F867 VanDerWaalsContact C-N 3.32Å; L865-F867 PolarHBondContact O-N 2.98Å; F867-S869 PolarHBondContact O-N 3.37Å; F867-N870 PolarHBondContact O-N 3.26Å; F867-I877 HydrophobicContact CD2-CB 4.45Å; F867-I877 HydrophobicContact CD2-CG2 3.93Å; F867-I877 HydrophobicContact CE2-CB 4.37Å; F867-I877 HydrophobicContact CE2-CG2 3.9Å; F867-I881 HydrophobicContact CD2-CD1 4.36Å; F867-I881 HydrophobicContact CE1-CD1 3.88Å; F867-I881 HydrophobicContact CE2-CD1 3.66Å; F867-I881 HydrophobicContact CZ-CD1 3.37Å; F867-L969 HydrophobicContact CE1-CD2 4.18Å; F867-L969 HydrophobicContact CZ-CD2 3.57Å
868I78Confident67.3Low0 Ų068.1 Ų68.10%036%0.363CS..Hα-helixtrans-60.4-48.5179.2-72.3167.8000110.4L716 W732 T744 R747 L748 L751 P864 L865 N870L716-I868 HydrophobicContact CD2-CD1 3.89Å; W732-I868 HydrophobicContact CH2-CB 3.86Å; W732-I868 HydrophobicContact CH2-CD1 3.71Å; W732-I868 HydrophobicContact CH2-CG1 4.39Å; W732-I868 HydrophobicContact CH2-CG2 3.67Å; W732-I868 HydrophobicContact CZ2-CB 3.86Å; W732-I868 HydrophobicContact CZ2-CG2 3.72Å; T744-I868 HydrophobicContact CG2-CG2 3.79Å; R747-I868 HydrophobicContact CB-CG1 4.3Å; R747-I868 WeakPolarHBondContact CD-O 3.32Å; R747-I868 PolarHBondContact NH1-O 3.04Å; L748-I868 HydrophobicContact CB-CD1 4.3Å; L748-I868 HydrophobicContact CB-CG2 4.27Å; L748-I868 HydrophobicContact CD1-CD1 3.8Å; L751-I868 HydrophobicContact CD2-CD1 3.77Å; L751-I868 HydrophobicContact CD2-CG1 4.13Å; P864-I868 WeakPolarHBondContact O-CG1 3.29Å; P864-I868 PolarHBondContact O-N 3.18Å; P864-I868 VanDerWaalsContact O-N 3.15Å; L865-I868 PolarHBondContact O-N 2.97Å; I868-N870 PolarHBondContact O-N 3.33Å
869S77.8Confident67.6Low36 Ų3670.2 Ų70.225%0.25237%0.366SS..THydrogen-bonded Turntrans-76.24.3-178.258.20000115.8L865 G866 F867 K871L865-S869 WeakPolarHBondContact O-CB 3.25Å; L865-S869 PolarHBondContact O-N 3.21Å; L865-S869 PolarHBondContact O-OG 2.77Å; G866-S869 WeakPolarHBondContact CA-OG 3.47Å; G866-S869 PolarHBondContact O-OG 3.35Å; F867-S869 PolarHBondContact O-N 3.37Å; S869-K871 PolarHBondContact O-N 3.26Å
870N73.9Confident67.9Low89 Ų8972.2 Ų72.248%0.47637%0.374SS..THydrogen-bonded Turntrans57.824.4-179.5-148.839.4000115.4R747 G866 F867 I868 Y872R747-N870 PolarHBondContact NH1-OD1 3.25Å; R747-N870 PolarHBondContact NH2-OD1 3.16Å; G866-N870 PolarHBondContact O-N 3.45Å; F867-N870 PolarHBondContact O-N 3.26Å; I868-N870 PolarHBondContact O-N 3.33Å; N870-Y872 PolarHBondContact O-N 3.15Å; N870-Y872 VanDerWaalsContact O-N 3.17Å
871K64.1Low68.5Low157 Ų15766.7 Ų66.768%0.68334%0.34SS*.  trans-65.2-18.5-177.6-82.8-177.6176.8177.80113.6G866 S869G866-K871 PolarHBondContact O-N 3.47Å; G866-K871 VanDerWaalsContact O-N 3.12Å; S869-K871 PolarHBondContact O-N 3.26Å
872Y57.6Low69.3Low120 Ų12067.5 Ų67.547%0.47135%0.347SS..SBendtrans-113.6146.7177.6-50.3-71.5000111.3D863 N870 S874D863-Y872 HydrophobicContact CB-CE2 4.2Å; D863-Y872 VanDerWaalsContact OD2-CE2 3.25Å; D863-Y872 WeakPolarHBondContact OD2-CE2 3.38Å; D863-Y872 PolarHBondContact OD2-OH 3.48Å; N870-Y872 PolarHBondContact O-N 3.15Å; N870-Y872 VanDerWaalsContact O-N 3.17Å; Y872-S874 PolarHBondContact O-N 3.23Å
873S51.5Low70.1Confident128 Ų12861.7 Ų61.790%0.89531%0.31SS*.  trans-70.463.3170.163.80000111R875S873-R875 PolarHBondContact O-N 2.8Å
874S53.3Low70.6Confident15 Ų1562.2 Ų62.211%0.10531%0.312CS..  trans-95.460-168.162.70000112.5Y872 D876 S878Y872-S874 PolarHBondContact O-N 3.23Å; S874-D876 PolarHBondContact O-N 2.89Å; S874-S878 PolarHBondContact O-N 3.33Å; S874-S878 PolarHBondContact O-OG 3.38Å
875R55.9Low71Confident208 Ų20863.6 Ų63.679%0.78532%0.317SS*.Hα-helixtrans-56.4-41.9163.8-83.5-174.8176.3175.1-1.1110.1S873 I877 S878 E879S873-R875 PolarHBondContact O-N 2.8Å; R875-I877 PolarHBondContact O-N 2.88Å; R875-S878 PolarHBondContact O-N 3.15Å; R875-S878 PolarHBondContact O-OG 3.15Å; R875-E879 PolarHBondContact O-N 3.5Å
876D54.9Low71.1Confident119 Ų11965.4 Ų65.464%0.63633%0.326SS*.Hα-helixtrans-66.6-37.7-175.8-61.7-22000114.2S874 Q880S874-D876 PolarHBondContact O-N 2.89Å; D876-Q880 VanDerWaalsContact O-CG 3.29Å; D876-Q880 WeakPolarHBondContact O-CG 3.41Å
877I63.3Low71.6Confident53 Ų5366.8 Ų66.827%0.27233%0.332SS..Hα-helixtrans-75.9-39.6-179-55.6175.3000110.5F867 R875 E879 Q880 I881F867-I877 HydrophobicContact CD2-CB 4.45Å; F867-I877 HydrophobicContact CD2-CG2 3.93Å; F867-I877 HydrophobicContact CE2-CB 4.37Å; F867-I877 HydrophobicContact CE2-CG2 3.9Å; R875-I877 PolarHBondContact O-N 2.88Å; I877-E879 PolarHBondContact O-N 3.33Å; I877-Q880 PolarHBondContact O-N 3.01Å; I877-Q880 VanDerWaalsContact O-N 3.15Å; I877-I881 HydrophobicContact CG2-CD1 3.62Å; I877-I881 HydrophobicContact CG2-CG1 4.17Å; I877-I881 WeakPolarHBondContact O-CG1 3.35Å; I877-I881 PolarHBondContact O-N 3.41Å
878S63.2Low72.1Confident24 Ų2466.5 Ų66.517%0.16833%0.331CS..Hα-helixtrans-62.9-27-179.2730000113.8S874 R875S874-S878 PolarHBondContact O-N 3.33Å; S874-S878 PolarHBondContact O-OG 3.38Å; R875-S878 PolarHBondContact O-N 3.15Å; R875-S878 PolarHBondContact O-OG 3.15Å
879E62.4Low72.6Confident115 Ų11570.1 Ų70.154%0.53735%0.348SS..Hα-helixtrans-84.4-19178.5-70.4-175.7-177.700113.7R875 I877R875-E879 PolarHBondContact O-N 3.5Å; I877-E879 PolarHBondContact O-N 3.33Å
880Q68Low73.2Confident113 Ų11369.8 Ų69.853%0.52835%0.345SS..Hα-helixtrans-91.6-27-178.8-69.8176.97.800112.6I859 D876 I877I859-Q880 HydrophobicContact CD1-CB 4Å; I859-Q880 WeakPolarHBondContact CD1-O 3.43Å; D876-Q880 VanDerWaalsContact O-CG 3.29Å; D876-Q880 WeakPolarHBondContact O-CG 3.41Å; I877-Q880 PolarHBondContact O-N 3.01Å; I877-Q880 VanDerWaalsContact O-N 3.15Å
881I77.5Confident74.1Confident1 Ų165.6 Ų65.61%0.00532%0.323CS..  trans-82.9127.4-179.4-50.6158.2000110.1F750 I861 F867 I877F750-I881 HydrophobicContact CD1-CG2 4.44Å; F750-I881 HydrophobicContact CE1-CB 4.38Å; F750-I881 HydrophobicContact CE1-CG2 3.75Å; I861-I881 HydrophobicContact CD1-CD1 3.47Å; I861-I881 VanDerWaalsContact CD1-CD1 3.47Å; I861-I881 HydrophobicContact CD1-CG1 4.27Å; I861-I881 HydrophobicContact CG1-CD1 4.14Å; F867-I881 HydrophobicContact CD2-CD1 4.36Å; F867-I881 HydrophobicContact CE1-CD1 3.88Å; F867-I881 HydrophobicContact CE2-CD1 3.66Å; F867-I881 HydrophobicContact CZ-CD1 3.37Å; I877-I881 HydrophobicContact CG2-CD1 3.62Å; I877-I881 HydrophobicContact CG2-CG1 4.17Å; I877-I881 WeakPolarHBondContact O-CG1 3.35Å; I877-I881 PolarHBondContact O-N 3.41Å
882S87.1Confident75.4Confident28 Ų2858.6 Ų58.620%0.19629%0.293CS..EExtended strand (participates in β ladder)trans-137.1157.217458.10000112.2R966 L967S882-R966 VanDerWaalsContact OG-CD 3.31Å; S882-R966 WeakPolarHBondContact OG-CD 3.36Å; S882-L967 CarbonylContact C-O 3.58Å; S882-L967 WeakPolarHBondContact CA-O 3.14Å; S882-L967 WeakPolarHBondContact CB-O 3.45Å
883L87.2Confident77Confident0 Ų056 Ų560%029%0.285CS..EExtended strand (participates in β ladder)trans-102.1137.1170.7-62.3179000109.8F750 R754 Q887 L891 W965 L967F750-L883 HydrophobicContact CD1-CG 4.46Å; F750-L883 HydrophobicContact CD2-CD1 3.6Å; F750-L883 HydrophobicContact CD2-CG 4.06Å; F750-L883 HydrophobicContact CE1-CD2 4.39Å; F750-L883 HydrophobicContact CE1-CG 4.07Å; F750-L883 HydrophobicContact CE2-CB 4.49Å; F750-L883 HydrophobicContact CE2-CD1 3.57Å; F750-L883 HydrophobicContact CE2-CG 3.61Å; F750-L883 HydrophobicContact CG-CD1 4.17Å; F750-L883 HydrophobicContact CG-CG 4.46Å; F750-L883 HydrophobicContact CZ-CB 4.49Å; F750-L883 HydrophobicContact CZ-CD1 4.12Å; F750-L883 HydrophobicContact CZ-CD2 4.42Å; F750-L883 HydrophobicContact CZ-CG 3.63Å; R754-L883 HydrophobicContact CB-CD2 4.24Å; R754-L883 HydrophobicContact CG-CD2 3.99Å; L883-Q887 HydrophobicContact CB-CB 3.95Å; L883-Q887 HydrophobicContact CD2-CB 4.01Å; L883-Q887 HydrophobicContact CG-CB 4.4Å; L883-L891 HydrophobicContact CD1-CB 4.32Å; L883-L891 HydrophobicContact CD1-CD2 3.63Å; L883-W965 VanDerWaalsContact O-CD1 3.29Å; L883-L967 PolarHBondContact N-O 3.33Å; L883-L967 PolarHBondContact O-N 2.82Å; L883-L967 VanDerWaalsContact O-N 3.09Å
884N88Confident79Confident57 Ų5749.9 Ų49.931%0.30524%0.243SC..  trans-72.4172167.671.537000110.6N886 Q887 F888N884-N886 PolarHBondContact O-N 2.81Å; N884-N886 PolarHBondContact OD1-N 3.09Å; N884-N886 VanDerWaalsContact OD1-N 3.15Å; N884-Q887 PolarHBondContact O-N 3.03Å; N884-Q887 WeakPolarHBondContact OD1-CB 3.49Å; N884-Q887 VanDerWaalsContact OD1-CG 3.26Å; N884-Q887 WeakPolarHBondContact OD1-CG 3.38Å; N884-Q887 PolarHBondContact OD1-N 3.43Å; N884-F888 WeakPolarHBondContact O-CB 3.49Å; N884-F888 PolarHBondContact O-N 2.9Å
885Y86Confident81Confident39 Ų3949.2 Ų49.215%0.15324%0.238CC..Hα-helixtrans-58-44.5-175.4-177.1-109.9000113.3Q887 F888 Q889 F921 I961 W965Y885-Q887 PolarHBondContact O-N 2.91Å; Y885-F888 HydrophobicContact CD2-CD1 4.12Å; Y885-F888 HydrophobicContact CE2-CD1 4.21Å; Y885-F888 HydrophobicContact CE2-CE1 4.37Å; Y885-F888 WeakPolarHBondContact O-CB 3.01Å; Y885-F888 PolarHBondContact O-N 3.46Å; Y885-Q889 HydrophobicContact CD1-CG 4.43Å; Y885-Q889 HydrophobicContact CE1-CG 4.03Å; Y885-Q889 VanDerWaalsContact CE1-NE2 3.29Å; Y885-Q889 HydrophobicContact CE2-CG 4.29Å; Y885-Q889 WeakPolarHBondContact O-CG 3.41Å; Y885-Q889 PolarHBondContact O-N 3Å; Y885-Q889 PolarHBondContact OH-NE2 3.17Å; Y885-Q889 VanDerWaalsContact OH-NE2 3.1Å; Y885-F921 AromaticContact CE2-CD2 3.94Å; Y885-F921 HydrophobicContact CE2-CD2 3.94Å; Y885-F921 AromaticContact CE2-CE2 3.7Å; Y885-F921 HydrophobicContact CE2-CE2 3.7Å; Y885-I961 HydrophobicContact CD1-CG2 4Å; Y885-I961 HydrophobicContact CD2-CG2 3.53Å; Y885-I961 HydrophobicContact CE1-CG2 4.43Å; Y885-I961 HydrophobicContact CE2-CG2 4.02Å; Y885-I961 HydrophobicContact CG-CG2 3.51Å; Y885-W965 AromaticContact CD2-CD2 3.82Å; Y885-W965 HydrophobicContact CD2-CD2 3.82Å; Y885-W965 AromaticContact CD2-CE3 3.76Å; Y885-W965 HydrophobicContact CD2-CE3 3.76Å; Y885-W965 HydrophobicContact CD2-CG 4.41Å; Y885-W965 AromaticContact CD2-CH2 3.96Å; Y885-W965 HydrophobicContact CD2-CH2 3.96Å; Y885-W965 HydrophobicContact CD2-CZ2 4.12Å; Y885-W965 AromaticContact CD2-CZ3 3.82Å; Y885-W965 HydrophobicContact CD2-CZ3 3.82Å; Y885-W965 HydrophobicContact CE2-CE3 4.4Å; Y885-W965 HydrophobicContact CE2-CH2 4.1Å; Y885-W965 HydrophobicContact CE2-CZ3 4.03Å
886N85.5Confident82.7Confident65 Ų6543.3 Ų43.335%0.34822%0.216SC..Hα-helixtrans-64.6-43179.9-64.5-8000111.3N884 F888 Q889 C890N884-N886 PolarHBondContact O-N 2.81Å; N884-N886 PolarHBondContact OD1-N 3.09Å; N884-N886 VanDerWaalsContact OD1-N 3.15Å; N886-F888 VanDerWaalsContact C-N 3.34Å; N886-F888 PolarHBondContact O-N 2.95Å; N886-Q889 PolarHBondContact O-N 3.15Å; N886-C890 PolarHBondContact O-N 2.89Å; N886-C890 PolarHBondContact O-SG 3.14Å; N886-C890 VanDerWaalsContact O-SG 3.33Å
887Q89.3Confident84.5Confident30 Ų3038 Ų3814%0.1419%0.187CC..Hα-helixtrans-64.4-38.9176.3-68.1171.4-25.700111.9H753 L883 N884 Y885 C890 L891H753-Q887 WeakPolarHBondContact O-CB 3.17Å; H753-Q887 WeakPolarHBondContact O-CG 3.44Å; L883-Q887 HydrophobicContact CB-CB 3.95Å; L883-Q887 HydrophobicContact CD2-CB 4.01Å; L883-Q887 HydrophobicContact CG-CB 4.4Å; N884-Q887 PolarHBondContact O-N 3.03Å; N884-Q887 WeakPolarHBondContact OD1-CB 3.49Å; N884-Q887 VanDerWaalsContact OD1-CG 3.26Å; N884-Q887 WeakPolarHBondContact OD1-CG 3.38Å; N884-Q887 PolarHBondContact OD1-N 3.43Å; Y885-Q887 PolarHBondContact O-N 2.91Å; Q887-C890 PolarHBondContact O-N 3.36Å; Q887-L891 WeakPolarHBondContact O-CB 3.46Å; Q887-L891 PolarHBondContact O-N 2.94Å
888F90.4Very high85.9Confident0 Ų035.5 Ų35.50%017%0.174CC..Hα-helixtrans-60.8-47.9172.7157.3-106.4000111.6N884 Y885 N886 C890 L891 T892 F917 L920 W965 L967N884-F888 WeakPolarHBondContact O-CB 3.49Å; N884-F888 PolarHBondContact O-N 2.9Å; Y885-F888 HydrophobicContact CD2-CD1 4.12Å; Y885-F888 HydrophobicContact CE2-CD1 4.21Å; Y885-F888 HydrophobicContact CE2-CE1 4.37Å; Y885-F888 WeakPolarHBondContact O-CB 3.01Å; Y885-F888 PolarHBondContact O-N 3.46Å; N886-F888 VanDerWaalsContact C-N 3.34Å; N886-F888 PolarHBondContact O-N 2.95Å; F888-C890 VanDerWaalsContact C-N 3.33Å; F888-C890 PolarHBondContact O-N 3.35Å; F888-L891 WeakPolarHBondContact O-CB 3.42Å; F888-L891 PolarHBondContact O-N 2.89Å; F888-L891 VanDerWaalsContact O-N 3.16Å; F888-T892 HydrophobicContact CD2-CG2 3.91Å; F888-T892 HydrophobicContact CE2-CG2 3.43Å; F888-T892 VanDerWaalsContact CE2-CG2 3.43Å; F888-T892 HydrophobicContact CZ-CG2 3.93Å; F888-T892 PolarHBondContact O-N 2.95Å; F888-T892 PolarHBondContact O-OG1 2.92Å; F888-F917 HydrophobicContact CD1-CE2 4.43Å; F888-F917 AromaticContact CE1-CD2 3.86Å; F888-F917 HydrophobicContact CE1-CD2 3.86Å; F888-F917 AromaticContact CE1-CE2 3.43Å; F888-F917 HydrophobicContact CE1-CE2 3.43Å; F888-F917 VanDerWaalsContact CE1-CE2 3.43Å; F888-F917 HydrophobicContact CE1-CZ 4.04Å; F888-F917 HydrophobicContact CE2-CD2 4.47Å; F888-F917 AromaticContact CZ-CD2 3.56Å; F888-F917 HydrophobicContact CZ-CD2 3.56Å; F888-F917 AromaticContact CZ-CE2 3.67Å; F888-F917 HydrophobicContact CZ-CE2 3.67Å; F888-F917 HydrophobicContact CZ-CG 4.25Å; F888-F917 HydrophobicContact CZ-CZ 4.44Å; F888-L920 HydrophobicContact CE2-CB 3.84Å; F888-L920 HydrophobicContact CE2-CD1 3.92Å; F888-L920 HydrophobicContact CZ-CB 4.14Å; F888-W965 HydrophobicContact CB-CZ2 4.22Å; F888-W965 AromaticContact CD1-CH2 3.82Å; F888-W965 HydrophobicContact CD1-CH2 3.82Å; F888-W965 AromaticContact CD1-CZ2 3.28Å; F888-W965 HydrophobicContact CD1-CZ2 3.28Å; F888-W965 HydrophobicContact CD2-CZ2 4.16Å; F888-W965 AromaticContact CE1-CH2 3.65Å; F888-W965 HydrophobicContact CE1-CH2 3.65Å; F888-W965 AromaticContact CE1-CZ2 3.53Å; F888-W965 HydrophobicContact CE1-CZ2 3.53Å; F888-W965 HydrophobicContact CE2-CZ2 4.35Å; F888-W965 AromaticContact CG-CZ2 3.61Å; F888-W965 HydrophobicContact CG-CZ2 3.61Å; F888-W965 HydrophobicContact CZ-CH2 4.25Å; F888-W965 HydrophobicContact CZ-CZ2 4.06Å; F888-L967 HydrophobicContact CB-CD2 4.32Å; F888-L967 HydrophobicContact CD2-CD2 3.48Å; F888-L967 VanDerWaalsContact CD2-CD2 3.48Å; F888-L967 HydrophobicContact CE2-CD2 4.17Å; F888-L967 HydrophobicContact CG-CD2 4.23Å
889Q88.4Confident87.3Confident76 Ų7634.3 Ų34.336%0.35517%0.166SC..Hα-helixtrans-58.5-46177.3-73.7-177.1-46.200111.2Y885 N886 L891 T892 E893Y885-Q889 HydrophobicContact CD1-CG 4.43Å; Y885-Q889 HydrophobicContact CE1-CG 4.03Å; Y885-Q889 VanDerWaalsContact CE1-NE2 3.29Å; Y885-Q889 HydrophobicContact CE2-CG 4.29Å; Y885-Q889 WeakPolarHBondContact O-CG 3.41Å; Y885-Q889 PolarHBondContact O-N 3Å; Y885-Q889 PolarHBondContact OH-NE2 3.17Å; Y885-Q889 VanDerWaalsContact OH-NE2 3.1Å; N886-Q889 PolarHBondContact O-N 3.15Å; Q889-L891 PolarHBondContact O-N 3.37Å; Q889-T892 WeakPolarHBondContact CA-OG1 3.49Å; Q889-T892 PolarHBondContact O-N 3.29Å; Q889-T892 PolarHBondContact O-OG1 3.32Å; Q889-E893 WeakPolarHBondContact O-CB 3.39Å; Q889-E893 PolarHBondContact O-N 3.42Å
890C89.4Confident88.6Confident29 Ų2932 Ų3220%0.19616%0.156CC..Hα-helixtrans-60.5-43.1175.6-66.20000112.1H753 W758 N886 Q887 F888 T892 E893 T894H753-C890 PolarHBondContact NE2-O 3.27Å; W758-C890 HydrophobicContact CZ2-CB 4.04Å; N886-C890 PolarHBondContact O-N 2.89Å; N886-C890 PolarHBondContact O-SG 3.14Å; N886-C890 VanDerWaalsContact O-SG 3.33Å; Q887-C890 PolarHBondContact O-N 3.36Å; F888-C890 VanDerWaalsContact C-N 3.33Å; F888-C890 PolarHBondContact O-N 3.35Å; C890-T892 PolarHBondContact O-N 2.87Å; C890-E893 PolarHBondContact O-N 2.81Å; C890-T894 WeakPolarHBondContact O-CB 3.34Å; C890-T894 PolarHBondContact O-N 2.88Å; C890-T894 PolarHBondContact O-OG1 2.75Å
891L92.9Very high89.4Confident0 Ų029.2 Ų29.20%015%0.148CC..Hα-helixtrans-59.2-48176.6172.863.8000111.5L749 F750 H753 L883 Q887 F888 Q889 T894 I895 F972L749-L891 HydrophobicContact CB-CD1 3.9Å; F750-L891 HydrophobicContact CD2-CD2 4.12Å; H753-L891 HydrophobicContact CB-CB 4.31Å; H753-L891 PolarHBondContact CD2-N 3.42Å; L883-L891 HydrophobicContact CD1-CB 4.32Å; L883-L891 HydrophobicContact CD1-CD2 3.63Å; Q887-L891 WeakPolarHBondContact O-CB 3.46Å; Q887-L891 PolarHBondContact O-N 2.94Å; F888-L891 WeakPolarHBondContact O-CB 3.42Å; F888-L891 PolarHBondContact O-N 2.89Å; F888-L891 VanDerWaalsContact O-N 3.16Å; Q889-L891 PolarHBondContact O-N 3.37Å; L891-T894 WeakPolarHBondContact O-CB 3.34Å; L891-T894 PolarHBondContact O-N 3.16Å; L891-I895 HydrophobicContact CD1-CD1 4.12Å; L891-I895 HydrophobicContact CD1-CG1 4.49Å; L891-I895 HydrophobicContact CG-CD1 4.13Å; L891-I895 WeakPolarHBondContact O-CG1 3.21Å; L891-I895 PolarHBondContact O-N 3.34Å; L891-F972 HydrophobicContact CD1-CZ 4.43Å; L891-F972 HydrophobicContact CD2-CD1 4.47Å; L891-F972 HydrophobicContact CD2-CD2 4.08Å; L891-F972 HydrophobicContact CD2-CE1 4.23Å; L891-F972 HydrophobicContact CD2-CE2 3.84Å; L891-F972 HydrophobicContact CD2-CG 4.4Å; L891-F972 HydrophobicContact CD2-CZ 3.92Å; L891-F972 HydrophobicContact CG-CE2 4.42Å; L891-F972 HydrophobicContact CG-CZ 4.41Å
892T91.9Very high89.8Confident10 Ų1030.4 Ų30.46%0.06116%0.156CC..Hα-helixtrans-66.6-37.5179.950.10000112.5F888 Q889 C890 I895 R896 F917F888-T892 HydrophobicContact CD2-CG2 3.91Å; F888-T892 HydrophobicContact CE2-CG2 3.43Å; F888-T892 VanDerWaalsContact CE2-CG2 3.43Å; F888-T892 HydrophobicContact CZ-CG2 3.93Å; F888-T892 PolarHBondContact O-N 2.95Å; F888-T892 PolarHBondContact O-OG1 2.92Å; Q889-T892 WeakPolarHBondContact CA-OG1 3.49Å; Q889-T892 PolarHBondContact O-N 3.29Å; Q889-T892 PolarHBondContact O-OG1 3.32Å; C890-T892 PolarHBondContact O-N 2.87Å; T892-I895 PolarHBondContact O-N 3Å; T892-R896 WeakPolarHBondContact O-CB 3.2Å; T892-R896 PolarHBondContact O-N 2.92Å; T892-F917 HydrophobicContact CG2-CD2 3.94Å
893E91.4Very high89.4Confident65 Ų6536.9 Ų36.930%0.30419%0.188SC..Hα-helixtrans-68.2-37.6175.2178.758.4-165.400111.3R708 Q889 C890 I895 R896 V897R708-E893 IonicContact NH1-OE1 2.77Å; Q889-E893 WeakPolarHBondContact O-CB 3.39Å; Q889-E893 PolarHBondContact O-N 3.42Å; C890-E893 PolarHBondContact O-N 2.81Å; E893-I895 PolarHBondContact O-N 3.5Å; E893-R896 WeakPolarHBondContact O-CB 3.39Å; E893-R896 PolarHBondContact O-N 3Å; E893-R896 IonicContact OE1-NH1 3.99Å; E893-R896 PolarHBondContact OE1-NH1 3.47Å; E893-R896 IonicContact OE2-NH1 2.79Å; E893-R896 PolarHBondContact OE2-NH1 2.99Å; E893-R896 VanDerWaalsContact OE2-NH1 3.16Å; E893-V897 WeakPolarHBondContact O-CG2 3.21Å; E893-V897 PolarHBondContact O-N 3.2Å
894T93.3Very high89.2Confident1 Ų144 Ų441%0.00622%0.221CC..Hα-helixtrans-60.7-45.5172.4-68.50000111.3A705 L709 L749 H753 C890 L891 R896 V897 I898A705-T894 HydrophobicContact CB-CG2 4.4Å; L709-T894 HydrophobicContact CD1-CG2 3.66Å; L709-T894 HydrophobicContact CD2-CG2 4.17Å; L709-T894 HydrophobicContact CG-CG2 4.15Å; L749-T894 HydrophobicContact CD2-CG2 4.31Å; H753-T894 WeakPolarHBondContact NE2-CB 3.22Å; H753-T894 PolarHBondContact NE2-OG1 2.8Å; C890-T894 WeakPolarHBondContact O-CB 3.34Å; C890-T894 PolarHBondContact O-N 2.88Å; C890-T894 PolarHBondContact O-OG1 2.75Å; L891-T894 WeakPolarHBondContact O-CB 3.34Å; L891-T894 PolarHBondContact O-N 3.16Å; T894-R896 VanDerWaalsContact C-N 3.31Å; T894-R896 PolarHBondContact O-N 2.92Å; T894-V897 PolarHBondContact O-N 3.38Å; T894-I898 HydrophobicContact CG2-CD1 4.13Å; T894-I898 VanDerWaalsContact O-CG1 3.29Å; T894-I898 WeakPolarHBondContact O-CG1 3.44Å; T894-I898 PolarHBondContact O-N 3.19Å
895I94.2Very high89.1Confident0 Ų045.9 Ų45.90%023%0.231CC..Hα-helixtrans-61.3-42.6175.9-65.7161.8000110.6L891 T892 E893 I898 V899 V913 L916 F972 F976 F986L891-I895 HydrophobicContact CD1-CD1 4.12Å; L891-I895 HydrophobicContact CD1-CG1 4.49Å; L891-I895 HydrophobicContact CG-CD1 4.13Å; L891-I895 WeakPolarHBondContact O-CG1 3.21Å; L891-I895 PolarHBondContact O-N 3.34Å; T892-I895 PolarHBondContact O-N 3Å; E893-I895 PolarHBondContact O-N 3.5Å; I895-I898 PolarHBondContact O-N 3.19Å; I895-V899 WeakPolarHBondContact O-CG2 3.45Å; I895-V899 PolarHBondContact O-N 2.63Å; I895-V913 HydrophobicContact CG2-CG1 4.39Å; I895-V913 HydrophobicContact CG2-CG2 3.96Å; I895-L916 HydrophobicContact CD1-CD2 4.39Å; I895-F972 HydrophobicContact CD1-CE2 3.89Å; I895-F972 HydrophobicContact CD1-CZ 3.83Å; I895-F976 HydrophobicContact CD1-CE2 4.12Å; I895-F976 HydrophobicContact CG2-CE2 4.32Å; I895-F986 HydrophobicContact CG2-CE2 4.48Å; I895-F986 HydrophobicContact CG2-CZ 4.4Å
896R93.5Very high89.3Confident85 Ų8547.7 Ų47.732%0.32124%0.24SC..Hα-helixtrans-57.2-49.8175.3-175.8171.9166.2-83.5-19.9111.5T892 E893 T894 I898 V899 E900 L910 V913T892-R896 WeakPolarHBondContact O-CB 3.2Å; T892-R896 PolarHBondContact O-N 2.92Å; E893-R896 WeakPolarHBondContact O-CB 3.39Å; E893-R896 PolarHBondContact O-N 3Å; E893-R896 IonicContact OE1-NH1 3.99Å; E893-R896 PolarHBondContact OE1-NH1 3.47Å; E893-R896 IonicContact OE2-NH1 2.79Å; E893-R896 PolarHBondContact OE2-NH1 2.99Å; E893-R896 VanDerWaalsContact OE2-NH1 3.16Å; T894-R896 VanDerWaalsContact C-N 3.31Å; T894-R896 PolarHBondContact O-N 2.92Å; R896-I898 VanDerWaalsContact C-N 3.33Å; R896-I898 PolarHBondContact O-N 3.18Å; R896-V899 PolarHBondContact O-N 3.43Å; R896-V899 VanDerWaalsContact O-N 3.14Å; R896-E900 IonicContact CZ-OE1 3.77Å; R896-E900 IonicContact NE-OE1 2.75Å; R896-E900 IonicContact NH1-OE1 3.59Å; R896-E900 PolarHBondContact NH1-OE1 3.37Å; R896-E900 IonicContact NH2-OE1 3.57Å; R896-E900 PolarHBondContact NH2-OE1 3.15Å; R896-E900 WeakPolarHBondContact O-CG 3.45Å; R896-E900 PolarHBondContact O-N 2.84Å; R896-L910 HydrophobicContact CG-CD2 3.83Å; R896-V913 HydrophobicContact CB-CG1 4.07Å
897V92.1Very high89.5Confident6 Ų651.2 Ų51.24%0.03626%0.255CS..Hα-helixtrans-64.9-34.8179.1175.70000112.4A704 A705 E893 T894 E900A704-V897 HydrophobicContact CB-CG1 3.87Å; A705-V897 HydrophobicContact CB-CB 4.17Å; A705-V897 HydrophobicContact CB-CG1 3.8Å; E893-V897 WeakPolarHBondContact O-CG2 3.21Å; E893-V897 PolarHBondContact O-N 3.2Å; T894-V897 PolarHBondContact O-N 3.38Å; V897-E900 PolarHBondContact O-N 3.01Å
898I92.7Very high89.6Confident1 Ų155 Ų551%0.00527%0.273CS..Hα-helixtrans-60.4-48.5172.4-68.3167.9000109.7W702 A705 L749 T894 I895 R896 E900 S901 F986W702-I898 HydrophobicContact CB-CG1 3.98Å; W702-I898 HydrophobicContact CD2-CD1 4.02Å; W702-I898 HydrophobicContact CD2-CG1 4.43Å; W702-I898 HydrophobicContact CG-CD1 4.05Å; W702-I898 HydrophobicContact CG-CG1 3.96Å; W702-I898 HydrophobicContact CG-CG2 4.44Å; A705-I898 HydrophobicContact CB-CD1 4.49Å; A705-I898 HydrophobicContact CB-CG1 3.62Å; L749-I898 HydrophobicContact CD2-CD1 4.23Å; T894-I898 HydrophobicContact CG2-CD1 4.13Å; T894-I898 VanDerWaalsContact O-CG1 3.29Å; T894-I898 WeakPolarHBondContact O-CG1 3.44Å; T894-I898 PolarHBondContact O-N 3.19Å; I895-I898 PolarHBondContact O-N 3.19Å; R896-I898 VanDerWaalsContact C-N 3.33Å; R896-I898 PolarHBondContact O-N 3.18Å; I898-E900 VanDerWaalsContact C-N 3.32Å; I898-E900 PolarHBondContact O-N 3.08Å; I898-S901 PolarHBondContact O-N 3.15Å; I898-S901 PolarHBondContact O-OG 3.46Å; I898-F986 HydrophobicContact CB-CZ 4.26Å; I898-F986 HydrophobicContact CD1-CE1 4.24Å; I898-F986 HydrophobicContact CD1-CZ 4.23Å; I898-F986 HydrophobicContact CG2-CE1 4.22Å; I898-F986 HydrophobicContact CG2-CE2 4.49Å; I898-F986 HydrophobicContact CG2-CZ 3.72Å
899V92.7Very high89.7Confident0 Ų055.4 Ų55.40%027%0.274CS..Hα-helixtrans-64.9-35.1179.3170.70000112.2I895 R896 S901 V902 M909 L910 V913 L982I895-V899 WeakPolarHBondContact O-CG2 3.45Å; I895-V899 PolarHBondContact O-N 2.63Å; R896-V899 PolarHBondContact O-N 3.43Å; R896-V899 VanDerWaalsContact O-N 3.14Å; V899-S901 PolarHBondContact O-N 3.04Å; V899-S901 VanDerWaalsContact O-N 3.09Å; V899-V902 WeakPolarHBondContact O-CB 3.19Å; V899-V902 WeakPolarHBondContact O-CG2 3.29Å; V899-V902 PolarHBondContact O-N 3.3Å; V899-M909 HydrophobicContact CG1-CB 3.4Å; V899-M909 HydrophobicContact CG1-CE 4.48Å; V899-M909 HydrophobicContact CG2-CB 4.49Å; V899-L910 HydrophobicContact CB-CD2 4.43Å; V899-L910 HydrophobicContact CG1-CD2 4Å; V899-L910 HydrophobicContact CG1-CG 4.01Å; V899-V913 HydrophobicContact CB-CG2 4.44Å; V899-V913 HydrophobicContact CG2-CG2 3.94Å; V899-L982 HydrophobicContact CG2-CD2 3.76Å
900E90.3Very high89.9Confident66 Ų6652.9 Ų52.931%0.30826%0.263SS..Hα-helixtrans-60.5-21.9177.7-76.6178.9164.800113.6R896 V897 I898 V902 K906 L910R896-E900 IonicContact CZ-OE1 3.77Å; R896-E900 IonicContact NE-OE1 2.75Å; R896-E900 IonicContact NH1-OE1 3.59Å; R896-E900 PolarHBondContact NH1-OE1 3.37Å; R896-E900 IonicContact NH2-OE1 3.57Å; R896-E900 PolarHBondContact NH2-OE1 3.15Å; R896-E900 WeakPolarHBondContact O-CG 3.45Å; R896-E900 PolarHBondContact O-N 2.84Å; V897-E900 PolarHBondContact O-N 3.01Å; I898-E900 VanDerWaalsContact C-N 3.32Å; I898-E900 PolarHBondContact O-N 3.08Å; E900-V902 VanDerWaalsContact C-N 3.34Å; E900-K906 WeakPolarHBondContact O-CE 3.09Å; E900-K906 PolarHBondContact O-NZ 3.04Å; E900-L910 HydrophobicContact CG-CD2 4.01Å
901S84.1Confident90.1Very high54 Ų5456.1 Ų56.138%0.37828%0.279SS..THydrogen-bonded Turntrans-85.9117875.30000114.6I898 V899I898-S901 PolarHBondContact O-N 3.15Å; I898-S901 PolarHBondContact O-OG 3.46Å; V899-S901 PolarHBondContact O-N 3.04Å; V899-S901 VanDerWaalsContact O-N 3.09Å
902V85.2Confident90.2Very high26 Ų2656.9 Ų56.916%0.15828%0.284CS..  trans-93.4137.1180-1670000110.9V899 E900 E904 M909 H985V899-V902 WeakPolarHBondContact O-CB 3.19Å; V899-V902 WeakPolarHBondContact O-CG2 3.29Å; V899-V902 PolarHBondContact O-N 3.3Å; E900-V902 VanDerWaalsContact C-N 3.34Å; V902-E904 WeakPolarHBondContact CG1-O 3.29Å; V902-M909 HydrophobicContact CB-CE 3.81Å; V902-M909 HydrophobicContact CG1-CE 3.66Å; V902-M909 HydrophobicContact CG2-CE 4.23Å; V902-H985 WeakPolarHBondContact CG2-CE1 3.43Å
903D79.3Confident90.2Very high164 Ų16456.6 Ų56.688%0.87728%0.282SS*.SBendtrans-82.2-40-179.3-65-42.2000113.2
904E83.4Confident90.3Very high149 Ų14957.2 Ų57.270%0.69629%0.287SS*.SBendtrans-93.5141.8-178.3-68.3179.1167.800111.3V902 K906 M909V902-E904 WeakPolarHBondContact CG1-O 3.29Å; E904-K906 PolarHBondContact O-N 3.3Å; E904-M909 WeakPolarHBondContact O-CE 3.47Å
905D85.5Confident90.3Very high97 Ų9760.2 Ų60.252%0.51931%0.307SS..SBendtrans5422.1175.3-51.6-29.1000115.7E907 E908 M909D905-E907 PolarHBondContact O-N 3.15Å; D905-E908 PolarHBondContact O-N 3.48Å; D905-M909 HydrophobicContact CB-CE 4.25Å; D905-M909 PolarHBondContact O-N 3.3Å
906K89.4Confident90.3Very high77 Ų7760.2 Ų60.234%0.33531%0.308SS..Hα-helixtrans-53.4-51.1-173.7175.6173.6167.8163.60113.8E900 E904 M909 L910E900-K906 WeakPolarHBondContact O-CE 3.09Å; E900-K906 PolarHBondContact O-NZ 3.04Å; E904-K906 PolarHBondContact O-N 3.3Å; K906-M909 PolarHBondContact O-N 3.45Å; K906-L910 HydrophobicContact CG-CD1 4.06Å; K906-L910 HydrophobicContact CG-CG 4.5Å; K906-L910 WeakPolarHBondContact O-CG 3.38Å; K906-L910 PolarHBondContact O-N 3.47Å
907E90.8Very high90.3Very high139 Ų13958.8 Ų58.865%0.6530%0.304SS*.Hα-helixtrans-61.9-45.5-178.3-68.1-70.7151.700111.2D905 M909 L910 D911D905-E907 PolarHBondContact O-N 3.15Å; E907-M909 VanDerWaalsContact C-N 3.33Å; E907-M909 PolarHBondContact O-N 3.14Å; E907-L910 WeakPolarHBondContact O-CB 3.5Å; E907-L910 PolarHBondContact O-N 3.44Å; E907-L910 VanDerWaalsContact O-N 3.17Å; E907-D911 PolarHBondContact O-N 2.91Å
908E91.2Very high90.2Very high111 Ų11163.2 Ų63.252%0.51933%0.327SS..Hα-helixtrans-66.8-34.5179.5-56.9-177.9172.600112.2D905 S912 L981D905-E908 PolarHBondContact O-N 3.48Å; E908-S912 PolarHBondContact O-N 3.3Å; E908-S912 PolarHBondContact O-OG 2.89Å; E908-L981 HydrophobicContact CB-CD1 3.57Å
909M91.8Very high90.2Very high8 Ų865.5 Ų65.54%0.03934%0.338CS..Hα-helixtrans-69.8-39.5172.1-76.5-172.6-71.200112.1V899 V902 E904 D905 K906 E907 D911 S912 V913 L981 L982 H985V899-M909 HydrophobicContact CG1-CB 3.4Å; V899-M909 HydrophobicContact CG1-CE 4.48Å; V899-M909 HydrophobicContact CG2-CB 4.49Å; V902-M909 HydrophobicContact CB-CE 3.81Å; V902-M909 HydrophobicContact CG1-CE 3.66Å; V902-M909 HydrophobicContact CG2-CE 4.23Å; E904-M909 WeakPolarHBondContact O-CE 3.47Å; D905-M909 HydrophobicContact CB-CE 4.25Å; D905-M909 PolarHBondContact O-N 3.3Å; K906-M909 PolarHBondContact O-N 3.45Å; E907-M909 VanDerWaalsContact C-N 3.33Å; E907-M909 PolarHBondContact O-N 3.14Å; M909-D911 VanDerWaalsContact C-N 3.31Å; M909-D911 PolarHBondContact O-N 2.96Å; M909-S912 CarbonylContact O-C 3.58Å; M909-S912 WeakPolarHBondContact O-CA 3.4Å; M909-S912 VanDerWaalsContact O-CB 3.3Å; M909-S912 WeakPolarHBondContact O-CB 3.43Å; M909-S912 PolarHBondContact O-N 3.42Å; M909-S912 VanDerWaalsContact O-N 3.09Å; M909-V913 WeakPolarHBondContact O-CG2 3.2Å; M909-V913 PolarHBondContact O-N 3.04Å; M909-L981 HydrophobicContact CG-CB 3.97Å; M909-L982 HydrophobicContact CB-CD2 4.37Å; M909-H985 HydrophobicContact SD-CB 3.94Å
910L93.3Very high90.1Very high23 Ų2365.6 Ų65.612%0.1234%0.338CS..Hα-helixtrans-62-40.3174.6-74.9171.9000111.3R896 V899 E900 K906 E907 S912 V913 N914R896-L910 HydrophobicContact CG-CD2 3.83Å; V899-L910 HydrophobicContact CB-CD2 4.43Å; V899-L910 HydrophobicContact CG1-CD2 4Å; V899-L910 HydrophobicContact CG1-CG 4.01Å; E900-L910 HydrophobicContact CG-CD2 4.01Å; K906-L910 HydrophobicContact CG-CD1 4.06Å; K906-L910 HydrophobicContact CG-CG 4.5Å; K906-L910 WeakPolarHBondContact O-CG 3.38Å; K906-L910 PolarHBondContact O-N 3.47Å; E907-L910 WeakPolarHBondContact O-CB 3.5Å; E907-L910 PolarHBondContact O-N 3.44Å; E907-L910 VanDerWaalsContact O-N 3.17Å; L910-S912 VanDerWaalsContact C-N 3.3Å; L910-S912 PolarHBondContact O-N 3.05Å; L910-V913 WeakPolarHBondContact O-CB 3.48Å; L910-V913 PolarHBondContact O-N 3.09Å; L910-V913 VanDerWaalsContact O-N 3.13Å; L910-N914 PolarHBondContact O-N 3.43Å; L910-N914 PolarHBondContact O-ND2 2.67Å
911D93.2Very high90Very high97 Ų9764.9 Ų64.952%0.51933%0.334SS..Hα-helixtrans-60.5-40.4171.4-77.8-20.2000111.8E907 M909 V913 N914 C915E907-D911 PolarHBondContact O-N 2.91Å; M909-D911 VanDerWaalsContact C-N 3.31Å; M909-D911 PolarHBondContact O-N 2.96Å; D911-V913 VanDerWaalsContact C-N 3.32Å; D911-V913 PolarHBondContact O-N 3.22Å; D911-N914 PolarHBondContact O-N 3.39Å; D911-C915 WeakPolarHBondContact O-CB 3.42Å; D911-C915 PolarHBondContact O-N 3.49Å; D911-C915 PolarHBondContact O-SG 3.39Å
912S94.1Very high90.1Very high15 Ų1565.7 Ų65.711%0.10534%0.337CS..Hα-helixtrans-63.9-35174-57.40000112.6E908 M909 L910 C915 L916E908-S912 PolarHBondContact O-N 3.3Å; E908-S912 PolarHBondContact O-OG 2.89Å; M909-S912 CarbonylContact O-C 3.58Å; M909-S912 WeakPolarHBondContact O-CA 3.4Å; M909-S912 VanDerWaalsContact O-CB 3.3Å; M909-S912 WeakPolarHBondContact O-CB 3.43Å; M909-S912 PolarHBondContact O-N 3.42Å; M909-S912 VanDerWaalsContact O-N 3.09Å; L910-S912 VanDerWaalsContact C-N 3.3Å; L910-S912 PolarHBondContact O-N 3.05Å; S912-C915 PolarHBondContact O-N 3.23Å; S912-L916 WeakPolarHBondContact O-CB 3.4Å; S912-L916 PolarHBondContact O-N 3.16Å
913V93.6Very high90.2Very high4 Ų467.1 Ų67.12%0.02434%0.342CS..Hα-helixtrans-67.1-42.8173179.50000111I895 R896 V899 M909 L910 D911 C915 L916 F917 L982I895-V913 HydrophobicContact CG2-CG1 4.39Å; I895-V913 HydrophobicContact CG2-CG2 3.96Å; R896-V913 HydrophobicContact CB-CG1 4.07Å; V899-V913 HydrophobicContact CB-CG2 4.44Å; V899-V913 HydrophobicContact CG2-CG2 3.94Å; M909-V913 WeakPolarHBondContact O-CG2 3.2Å; M909-V913 PolarHBondContact O-N 3.04Å; L910-V913 WeakPolarHBondContact O-CB 3.48Å; L910-V913 PolarHBondContact O-N 3.09Å; L910-V913 VanDerWaalsContact O-N 3.13Å; D911-V913 VanDerWaalsContact C-N 3.32Å; D911-V913 PolarHBondContact O-N 3.22Å; V913-C915 VanDerWaalsContact C-N 3.32Å; V913-C915 PolarHBondContact O-N 3Å; V913-L916 WeakPolarHBondContact O-CB 3.36Å; V913-L916 PolarHBondContact O-N 2.87Å; V913-F917 PolarHBondContact O-N 3.26Å; V913-L982 HydrophobicContact CG2-CD1 3.98Å; V913-L982 HydrophobicContact CG2-CD2 3.74Å; V913-L982 HydrophobicContact CG2-CG 4.47Å
914N92.7Very high90.4Very high79 Ų7959.7 Ų59.742%0.42230%0.302SS..Hα-helixtrans-62.6-40.9175.8-69.3-32.1000111.2L910 D911 F917 L918L910-N914 PolarHBondContact O-N 3.43Å; L910-N914 PolarHBondContact O-ND2 2.67Å; D911-N914 PolarHBondContact O-N 3.39Å; N914-F917 PolarHBondContact O-N 3.3Å; N914-L918 WeakPolarHBondContact O-CB 3.33Å; N914-L918 VanDerWaalsContact O-CG 3.3Å; N914-L918 WeakPolarHBondContact O-CG 3.45Å; N914-L918 PolarHBondContact O-N 3.33Å
915C93.5Very high90.4Very high63 Ų6354.6 Ų54.643%0.42628%0.279SS..Hα-helixtrans-62.5-43.1174.1-68.60000111.7D911 S912 V913 L918 E919D911-C915 WeakPolarHBondContact O-CB 3.42Å; D911-C915 PolarHBondContact O-N 3.49Å; D911-C915 PolarHBondContact O-SG 3.39Å; S912-C915 PolarHBondContact O-N 3.23Å; V913-C915 VanDerWaalsContact C-N 3.32Å; V913-C915 PolarHBondContact O-N 3Å; C915-L918 PolarHBondContact O-N 3.07Å; C915-E919 VanDerWaalsContact O-CB 3.28Å; C915-E919 WeakPolarHBondContact O-CB 3.32Å; C915-E919 PolarHBondContact O-N 2.99Å
916L93.5Very high90.2Very high1 Ų154.2 Ų54.21%0.00527%0.274CS..Hα-helixtrans-58.6-47.7174.3-179.462.7000111.7I895 S912 V913 E919 L920 F972 A975 F976 Q979 L982I895-L916 HydrophobicContact CD1-CD2 4.39Å; S912-L916 WeakPolarHBondContact O-CB 3.4Å; S912-L916 PolarHBondContact O-N 3.16Å; V913-L916 WeakPolarHBondContact O-CB 3.36Å; V913-L916 PolarHBondContact O-N 2.87Å; L916-E919 PolarHBondContact O-N 3.45Å; L916-L920 HydrophobicContact CD1-CD1 3.87Å; L916-L920 HydrophobicContact CD1-CG 4.27Å; L916-L920 HydrophobicContact CG-CD1 4.03Å; L916-L920 WeakPolarHBondContact O-CB 3.36Å; L916-L920 WeakPolarHBondContact O-CG 3.16Å; L916-L920 PolarHBondContact O-N 3.42Å; L916-F972 HydrophobicContact CD2-CE2 4.39Å; L916-A975 HydrophobicContact CD1-CB 3.68Å; L916-F976 HydrophobicContact CD1-CB 4.36Å; L916-F976 HydrophobicContact CD2-CD2 3.57Å; L916-F976 HydrophobicContact CD2-CE2 4.04Å; L916-F976 HydrophobicContact CD2-CG 4.46Å; L916-Q979 HydrophobicContact CB-CG 4.09Å; L916-Q979 HydrophobicContact CD1-CG 4.33Å; L916-L982 HydrophobicContact CD2-CD1 4.18Å
917F93.2Very high89.7Confident54 Ų5453.1 Ų53.124%0.23727%0.272CS..Hα-helixtrans-59.4-50.9178.4178.9-87.1000111.1F888 T892 V913 N914 E919 L920 F921F888-F917 HydrophobicContact CD1-CE2 4.43Å; F888-F917 AromaticContact CE1-CD2 3.86Å; F888-F917 HydrophobicContact CE1-CD2 3.86Å; F888-F917 AromaticContact CE1-CE2 3.43Å; F888-F917 HydrophobicContact CE1-CE2 3.43Å; F888-F917 VanDerWaalsContact CE1-CE2 3.43Å; F888-F917 HydrophobicContact CE1-CZ 4.04Å; F888-F917 HydrophobicContact CE2-CD2 4.47Å; F888-F917 AromaticContact CZ-CD2 3.56Å; F888-F917 HydrophobicContact CZ-CD2 3.56Å; F888-F917 AromaticContact CZ-CE2 3.67Å; F888-F917 HydrophobicContact CZ-CE2 3.67Å; F888-F917 HydrophobicContact CZ-CG 4.25Å; F888-F917 HydrophobicContact CZ-CZ 4.44Å; T892-F917 HydrophobicContact CG2-CD2 3.94Å; V913-F917 PolarHBondContact O-N 3.26Å; N914-F917 PolarHBondContact O-N 3.3Å; F917-E919 PolarHBondContact O-N 3.42Å; F917-L920 PolarHBondContact O-N 3.46Å; F917-F921 HydrophobicContact CE1-CB 4.32Å; F917-F921 HydrophobicContact CE1-CD2 4.46Å; F917-F921 HydrophobicContact CE1-CG 4.4Å; F917-F921 HydrophobicContact CZ-CD2 4.4Å; F917-F921 WeakPolarHBondContact O-CB 3.35Å; F917-F921 PolarHBondContact O-N 3.33Å
918L91.2Very high88.9Confident100 Ų10046.8 Ų46.852%0.52424%0.243SC..Hα-helixtrans-63.6-40.1-178.7-72.1170.7000112.3N914 C915 T922N914-L918 WeakPolarHBondContact O-CB 3.33Å; N914-L918 VanDerWaalsContact O-CG 3.3Å; N914-L918 WeakPolarHBondContact O-CG 3.45Å; N914-L918 PolarHBondContact O-N 3.33Å; C915-L918 PolarHBondContact O-N 3.07Å; L918-T922 WeakPolarHBondContact O-CB 3.46Å; L918-T922 PolarHBondContact O-N 3.43Å; L918-T922 PolarHBondContact O-OG1 3.17Å
919E91.7Very high88.1Confident49 Ų4947 Ų4723%0.22924%0.244CC..Hα-helixtrans-62.4-51.1177.5-177.6174.3-176.100111.1C915 L916 F917 F921 T922 Q923 K978C915-E919 VanDerWaalsContact O-CB 3.28Å; C915-E919 WeakPolarHBondContact O-CB 3.32Å; C915-E919 PolarHBondContact O-N 2.99Å; L916-E919 PolarHBondContact O-N 3.45Å; F917-E919 PolarHBondContact O-N 3.42Å; E919-F921 VanDerWaalsContact C-N 3.35Å; E919-F921 PolarHBondContact O-N 3.45Å; E919-T922 PolarHBondContact O-N 2.77Å; E919-Q923 VanDerWaalsContact O-CB 3.31Å; E919-Q923 WeakPolarHBondContact O-CB 3.26Å; E919-Q923 PolarHBondContact O-N 3.44Å; E919-K978 WeakPolarHBondContact OE1-CD 3.47Å; E919-K978 WeakPolarHBondContact OE1-CE 3.23Å; E919-K978 IonicContact OE1-NZ 2.63Å; E919-K978 PolarHBondContact OE1-NZ 2.88Å
920L90.8Very high87.1Confident1 Ų153.9 Ų53.91%0.00527%0.269CS..Hα-helixtrans-64.1-41.1178.6-70.8174.2000111.8F888 L916 F917 Q923 E924 L967 F972 A975F888-L920 HydrophobicContact CE2-CB 3.84Å; F888-L920 HydrophobicContact CE2-CD1 3.92Å; F888-L920 HydrophobicContact CZ-CB 4.14Å; L916-L920 HydrophobicContact CD1-CD1 3.87Å; L916-L920 HydrophobicContact CD1-CG 4.27Å; L916-L920 HydrophobicContact CG-CD1 4.03Å; L916-L920 WeakPolarHBondContact O-CB 3.36Å; L916-L920 WeakPolarHBondContact O-CG 3.16Å; L916-L920 PolarHBondContact O-N 3.42Å; F917-L920 PolarHBondContact O-N 3.46Å; L920-Q923 PolarHBondContact O-N 2.98Å; L920-E924 PolarHBondContact O-N 2.87Å; L920-L967 HydrophobicContact CD1-CD2 4.4Å; L920-L967 HydrophobicContact CD2-CD1 3.83Å; L920-F972 HydrophobicContact CD1-CD2 3.89Å; L920-A975 HydrophobicContact CD1-CB 4.41Å; L920-A975 HydrophobicContact CD2-CB 3.45Å; L920-A975 VanDerWaalsContact CD2-CB 3.45Å; L920-A975 HydrophobicContact CG-CB 3.81Å
921F88.6Confident85.7Confident51 Ų5155.1 Ų55.122%0.22428%0.28CS..Hα-helixtrans-62.8-45.6177.9-174.4-98.3000112.5Y885 F917 E919 L925 W965Y885-F921 AromaticContact CE2-CD2 3.94Å; Y885-F921 HydrophobicContact CE2-CD2 3.94Å; Y885-F921 AromaticContact CE2-CE2 3.7Å; Y885-F921 HydrophobicContact CE2-CE2 3.7Å; F917-F921 HydrophobicContact CE1-CB 4.32Å; F917-F921 HydrophobicContact CE1-CD2 4.46Å; F917-F921 HydrophobicContact CE1-CG 4.4Å; F917-F921 HydrophobicContact CZ-CD2 4.4Å; F917-F921 WeakPolarHBondContact O-CB 3.35Å; F917-F921 PolarHBondContact O-N 3.33Å; E919-F921 VanDerWaalsContact C-N 3.35Å; E919-F921 PolarHBondContact O-N 3.45Å; F921-L925 HydrophobicContact CD1-CD1 3.57Å; F921-L925 HydrophobicContact CD2-CD1 4.49Å; F921-L925 HydrophobicContact CE1-CD1 3.09Å; F921-L925 HydrophobicContact CE2-CD1 4.09Å; F921-L925 HydrophobicContact CG-CD1 4.25Å; F921-L925 HydrophobicContact CZ-CD1 3.39Å; F921-L925 WeakPolarHBondContact O-CB 3.5Å; F921-L925 PolarHBondContact O-N 3.24Å; F921-W965 HydrophobicContact CB-CH2 4.26Å; F921-W965 AromaticContact CD2-CH2 3.68Å; F921-W965 HydrophobicContact CD2-CH2 3.68Å; F921-W965 AromaticContact CD2-CZ3 3.71Å; F921-W965 HydrophobicContact CD2-CZ3 3.71Å; F921-W965 HydrophobicContact CE2-CH2 4.48Å; F921-W965 HydrophobicContact CE2-CZ3 4.13Å; F921-W965 HydrophobicContact CG-CH2 4.33Å; F921-W965 HydrophobicContact CG-CZ3 4.46Å
922T86.8Confident84.2Confident72 Ų7253.4 Ų53.444%0.44227%0.27SS..Hα-helixtrans-67.3-41.2178.1-52.40000111.4L918 E919 Q926L918-T922 WeakPolarHBondContact O-CB 3.46Å; L918-T922 PolarHBondContact O-N 3.43Å; L918-T922 PolarHBondContact O-OG1 3.17Å; E919-T922 PolarHBondContact O-N 2.77Å; T922-Q926 WeakPolarHBondContact O-CG 3.33Å; T922-Q926 PolarHBondContact O-N 2.84Å; T922-Q926 VanDerWaalsContact O-N 3.11Å
923Q86.1Confident82.4Confident56 Ų5658.3 Ų58.326%0.26230%0.296SS..Hα-helixtrans-62.7-46.6178.9-178.8176-24.500111.7E919 L920 Q926 N927 D971E919-Q923 VanDerWaalsContact O-CB 3.31Å; E919-Q923 WeakPolarHBondContact O-CB 3.26Å; E919-Q923 PolarHBondContact O-N 3.44Å; L920-Q923 PolarHBondContact O-N 2.98Å; Q923-Q926 PolarHBondContact O-N 3.39Å; Q923-N927 PolarHBondContact O-N 3.15Å; Q923-N927 VanDerWaalsContact O-N 3.15Å; Q923-N927 PolarHBondContact O-ND2 3.29Å; Q923-D971 PolarHBondContact NE2-OD1 2.93Å
924E84.3Confident80.2Confident8 Ų862.8 Ų62.84%0.03733%0.326CS..Hα-helixtrans-72.2-36.2179.7-78.8-60.6106.900112.6L920 Q926 N927 V928 W965 R966 L967L920-E924 PolarHBondContact O-N 2.87Å; E924-Q926 VanDerWaalsContact C-N 3.3Å; E924-Q926 PolarHBondContact O-N 3.04Å; E924-N927 CarbonylContact O-C 3.56Å; E924-N927 WeakPolarHBondContact O-CA 3.29Å; E924-N927 WeakPolarHBondContact O-CB 3.3Å; E924-N927 PolarHBondContact O-N 2.82Å; E924-N927 PolarHBondContact OE1-ND2 3.31Å; E924-V928 WeakPolarHBondContact O-CG2 3.45Å; E924-V928 PolarHBondContact O-N 3.48Å; E924-W965 HydrophobicContact CB-CD2 3.97Å; E924-W965 HydrophobicContact CB-CE3 3.74Å; E924-W965 HydrophobicContact CB-CH2 3.84Å; E924-W965 HydrophobicContact CB-CZ2 3.96Å; E924-W965 HydrophobicContact CB-CZ3 3.69Å; E924-W965 HydrophobicContact CG-CD2 4.38Å; E924-W965 HydrophobicContact CG-CH2 4.45Å; E924-W965 HydrophobicContact CG-CZ2 4.1Å; E924-R966 PolarHBondContact OE2-N 3.47Å; E924-L967 HydrophobicContact CG-CB 4.42Å; E924-L967 HydrophobicContact CG-CD1 4.3Å
925L82.1Confident78.1Confident42 Ų4263.9 Ų63.922%0.2234%0.336CS..Hα-helixtrans-57-43.7171.2-106.3149.2000112F921 N927 V928 E929F921-L925 HydrophobicContact CD1-CD1 3.57Å; F921-L925 HydrophobicContact CD2-CD1 4.49Å; F921-L925 HydrophobicContact CE1-CD1 3.09Å; F921-L925 HydrophobicContact CE2-CD1 4.09Å; F921-L925 HydrophobicContact CG-CD1 4.25Å; F921-L925 HydrophobicContact CZ-CD1 3.39Å; F921-L925 WeakPolarHBondContact O-CB 3.5Å; F921-L925 PolarHBondContact O-N 3.24Å; L925-N927 VanDerWaalsContact C-N 3.28Å; L925-N927 PolarHBondContact O-N 3.48Å; L925-V928 PolarHBondContact O-N 3.31Å; L925-E929 WeakPolarHBondContact O-CG 3.45Å; L925-E929 PolarHBondContact O-N 2.94Å
926Q82.8Confident75.8Confident89 Ų8965.1 Ų65.142%0.41635%0.345SS..Hα-helixtrans-63.3-34.6175.1-71.5176.68.800112.3T922 Q923 E924 R930T922-Q926 WeakPolarHBondContact O-CG 3.33Å; T922-Q926 PolarHBondContact O-N 2.84Å; T922-Q926 VanDerWaalsContact O-N 3.11Å; Q923-Q926 PolarHBondContact O-N 3.39Å; E924-Q926 VanDerWaalsContact C-N 3.3Å; E924-Q926 PolarHBondContact O-N 3.04Å; Q926-R930 WeakPolarHBondContact O-CB 3.38Å; Q926-R930 WeakPolarHBondContact O-CG 3.25Å; Q926-R930 PolarHBondContact O-N 3.39Å
927N79.4Confident72.9Confident53 Ų5369.8 Ų69.828%0.28338%0.378SS..Hα-helixtrans-69.8-38.8175.3-69.9-22000112Q923 E924 L925 R930 S931Q923-N927 PolarHBondContact O-N 3.15Å; Q923-N927 VanDerWaalsContact O-N 3.15Å; Q923-N927 PolarHBondContact O-ND2 3.29Å; E924-N927 CarbonylContact O-C 3.56Å; E924-N927 WeakPolarHBondContact O-CA 3.29Å; E924-N927 WeakPolarHBondContact O-CB 3.3Å; E924-N927 PolarHBondContact O-N 2.82Å; E924-N927 PolarHBondContact OE1-ND2 3.31Å; L925-N927 VanDerWaalsContact C-N 3.28Å; L925-N927 PolarHBondContact O-N 3.48Å; N927-R930 PolarHBondContact O-N 3.18Å; N927-S931 PolarHBondContact O-N 3.12Å; N927-S931 PolarHBondContact O-OG 3.36Å
928V73.3Confident69.9Low6 Ų672.3 Ų72.34%0.03640%0.402CS..Hα-helixtrans-64.2-43.3173.4173.30000110.8E924 L925 S931 N932 M960 F964E924-V928 WeakPolarHBondContact O-CG2 3.45Å; E924-V928 PolarHBondContact O-N 3.48Å; L925-V928 PolarHBondContact O-N 3.31Å; V928-S931 WeakPolarHBondContact CA-OG 3.23Å; V928-S931 PolarHBondContact O-N 3.22Å; V928-S931 PolarHBondContact O-OG 3.37Å; V928-N932 PolarHBondContact O-N 3.11Å; V928-N932 VanDerWaalsContact O-N 3.16Å; V928-M960 HydrophobicContact CG1-CG 4.12Å; V928-M960 HydrophobicContact CG1-SD 4.45Å; V928-F964 HydrophobicContact CB-CB 4.38Å; V928-F964 HydrophobicContact CG1-CB 3.89Å; V928-F964 HydrophobicContact CG1-CD2 4.49Å; V928-F964 HydrophobicContact CG1-CG 4.5Å; V928-F964 HydrophobicContact CG2-CB 3.87Å
929E74.2Confident67.2Low116 Ų11673 Ų7354%0.54241%0.413SS..Hα-helixtrans-65.1-41176.2-73.1179.1172.900112.4L925 N932 N933L925-E929 WeakPolarHBondContact O-CG 3.45Å; L925-E929 PolarHBondContact O-N 2.94Å; E929-N932 PolarHBondContact O-N 3.4Å; E929-N933 PolarHBondContact O-N 2.87Å; E929-N933 VanDerWaalsContact O-N 3.07Å
930R70.7Confident64.3Low153 Ų15376.5 Ų76.558%0.57744%0.438SS*.Hα-helixtrans-64.5-41.4176.9-77.3172-176.1165.84.3112.6Q926 N927 N932 N933 C934Q926-R930 WeakPolarHBondContact O-CB 3.38Å; Q926-R930 WeakPolarHBondContact O-CG 3.25Å; Q926-R930 PolarHBondContact O-N 3.39Å; N927-R930 PolarHBondContact O-N 3.18Å; R930-N932 VanDerWaalsContact C-N 3.28Å; R930-N932 PolarHBondContact O-N 2.98Å; R930-N933 PolarHBondContact O-N 3.47Å; R930-C934 PolarHBondContact O-N 3.38Å
931S64.8Low61.5Low49 Ų4983.8 Ų83.834%0.34348%0.476SS..Hα-helixtrans-66.3-31.5177.546.80000112.2N927 V928 C934N927-S931 PolarHBondContact O-N 3.12Å; N927-S931 PolarHBondContact O-OG 3.36Å; V928-S931 WeakPolarHBondContact CA-OG 3.23Å; V928-S931 PolarHBondContact O-N 3.22Å; V928-S931 PolarHBondContact O-OG 3.37Å; S931-C934 PolarHBondContact O-N 3.19Å
932N61.4Low58.7Low60 Ų6088.5 Ų88.532%0.32150%0.504SS..Hα-helixtrans-75.4-29.6175.3-142.511.7000113.6V928 E929 R930 C934 T935 S936V928-N932 PolarHBondContact O-N 3.11Å; V928-N932 VanDerWaalsContact O-N 3.16Å; E929-N932 PolarHBondContact O-N 3.4Å; R930-N932 VanDerWaalsContact C-N 3.28Å; R930-N932 PolarHBondContact O-N 2.98Å; N932-C934 VanDerWaalsContact C-N 3.31Å; N932-T935 PolarHBondContact O-OG1 3.06Å; N932-S936 PolarHBondContact O-OG 2.97Å
933N55.5Low56.1Low118 Ų11892.1 Ų92.163%0.63153%0.526SS*.Hα-helixtrans-74.1-21.1173.9-74.7-23.3000113E929 R930 S936E929-N933 PolarHBondContact O-N 2.87Å; E929-N933 VanDerWaalsContact O-N 3.07Å; R930-N933 PolarHBondContact O-N 3.47Å; N933-S936 PolarHBondContact O-OG 3.4Å
934C47.8Very low53.3Low99 Ų9994.2 Ų94.267%0.66955%0.546SS*.Hα-helixtrans-81.3-19.6175.1-72.50000113.6R930 S931 N932R930-C934 PolarHBondContact O-N 3.38Å; S931-C934 PolarHBondContact O-N 3.19Å; N932-C934 VanDerWaalsContact C-N 3.31Å
935T48.5Very low50.7Low101 Ų10199.1 Ų99.162%0.6258%0.577SS**SBendtrans-89.5-8.8178.349.70000113.5N932N932-T935 PolarHBondContact O-OG1 3.06Å
936S44.2Very low48.3Very low89 Ų89105.6 Ų105.662%0.62261%0.606SS**SBendtrans-97.310.6-177.946.70000114.9N932 N933N932-S936 PolarHBondContact O-OG 2.97Å; N933-S936 PolarHBondContact O-OG 3.4Å
937S33.2Very low45.8Very low99 Ų99106.3 Ų106.369%0.69262%0.62SS**  trans-110.270.2176.155.90000112.9
938S30.8Very low43.3Very low107 Ų107110 Ų11075%0.74865%0.645SS**  trans-137.7118.7154.756.60000109.8
939P33.4Very low41.2Very low115 Ų115118.9 Ų118.975%0.74769%0.686SS**  trans-90.1141.3171.433.5-26.6000110.3
940T31.1Very low39.2Very low123 Ų123123.7 Ų123.776%0.75570%0.701SS**  trans66.4107.6157.9620000118.6
941D32.6Very low37.5Very low153 Ų153124 Ų12482%0.81871%0.714SS**  -171.9150.599.5-96.2-25.9000114.1
942N29Very low36.3Very low151 Ų151128.6 Ų128.681%0.80774%0.735SS**  trans-59138.6-168.1-60-60.7000116.4
943V33.3Very low35.6Very low148 Ų148129 Ų12990%0.89775%0.753SS**  -155.8134.9126.5178.20000109.5
944S27.8Very low35.4Very low99 Ų99133.9 Ų133.969%0.69276%0.763SS**  trans-94.8159.3-17854.90000114.8
945V29.1Very low35.7Very low112 Ų112132.4 Ų132.468%0.67975%0.752SS**  trans95.397.9151.7-157.30000117.8
946H32.6Very low36.4Very low178 Ų178131 Ų13182%0.82475%0.746SS**  -171138.798.2-103.9-61.6000111.7
947S28.4Very low37.4Very low103 Ų103131.7 Ų131.772%0.7275%0.746SS**  trans-85.3124.7-175.647.30000113.1
948T27.6Very low38.9Very low130 Ų130133.6 Ų133.680%0.79874%0.744SS**  trans-159.5121.7149.337.50000109.6
949E28.6Very low40.6Very low193 Ų193130.9 Ų130.990%0.90273%0.725SS**  trans49.489.6156.8-65.3176.5174.800118.1D951E949-D951 PolarHBondContact O-N 3.19Å
950Y32.2Very low42.1Very low218 Ų218127.2 Ų127.286%0.85570%0.699SS**  trans-79.4101.3160-85.1-91.5000109.4
951D35.7Very low44.1Very low159 Ų159122.1 Ų122.185%0.8567%0.667SS**SBendtrans-82.2132.2135.5-145-2.6000105.3E949 G953E949-D951 PolarHBondContact O-N 3.19Å; D951-G953 PolarHBondContact O-N 2.88Å
952D40.4Very low46Very low146 Ų146119.5 Ų119.578%0.78165%0.65SS**  trans-41.4113.7-166.4-88.6-35.5000112.5R954D952-R954 PolarHBondContact O-N 3.42Å
953G47Very low47.9Very low69 Ų69115 Ų11571%0.71163%0.629SS**SBendtrans-67.232.1-172.500000116.2D951D951-G953 PolarHBondContact O-N 2.88Å
954R51.2Low49.8Very low220 Ų220112.5 Ų112.583%0.8361%0.607SS**SBendtrans-90.9122.6163.7-79.7-176.5176.4-172-1.3108.4D952 S956D952-R954 PolarHBondContact O-N 3.42Å; R954-S956 PolarHBondContact O-N 3.32Å
955P53.6Low52.5Low67 Ų67107.8 Ų107.844%0.43557%0.574SS.*PPolyproline II helixtrans-54.2139.8168.921.9-29.3000108.6V957 M960P955-V957 PolarHBondContact O-N 3.41Å; P955-M960 HydrophobicContact CG-CE 3.78Å
956S62.5Low55.1Low72 Ų72105.8 Ų105.850%0.50355%0.554SS.*PPolyproline II helixtrans-51144.6175.365.60000109.1R954 E958 S959 M960R954-S956 PolarHBondContact O-N 3.32Å; S956-E958 PolarHBondContact O-N 3.41Å; S956-S959 WeakPolarHBondContact O-CA 3.28Å; S956-S959 WeakPolarHBondContact O-CB 3.48Å; S956-S959 PolarHBondContact O-N 2.91Å; S956-S959 WeakPolarHBondContact OG-CB 3.48Å; S956-S959 PolarHBondContact OG-N 2.72Å; S956-S959 VanDerWaalsContact OG-N 3.16Å; S956-M960 PolarHBondContact O-N 2.58Å
957V65.6Low57.8Low104 Ų10497.4 Ų97.463%0.6352%0.515SS*.Hα-helixtrans-50.5-36.7179.7175.20000110.5P955 M960 I961P955-V957 PolarHBondContact O-N 3.41Å; V957-M960 PolarHBondContact O-N 2.95Å; V957-I961 HydrophobicContact CG1-CD1 3.83Å; V957-I961 HydrophobicContact CG1-CG1 4.4Å; V957-I961 WeakPolarHBondContact O-CB 2.86Å; V957-I961 VanDerWaalsContact O-CG1 3.25Å; V957-I961 WeakPolarHBondContact O-CG1 3Å; V957-I961 PolarHBondContact O-N 3.43Å
958E64.6Low60.7Low138 Ų13896.6 Ų96.665%0.64550%0.499SS*.Hα-helixtrans-64.6-46175.5-164.7164.4-160.500113.4S956 M960 I961 Q962S956-E958 PolarHBondContact O-N 3.41Å; E958-M960 VanDerWaalsContact C-N 3.29Å; E958-M960 PolarHBondContact O-N 3.49Å; E958-I961 PolarHBondContact O-N 2.85Å; E958-Q962 WeakPolarHBondContact O-CG 3.46Å; E958-Q962 PolarHBondContact O-N 3.42Å
959S65.6Low63.7Low50 Ų5090.4 Ų90.435%0.3546%0.461SS..Hα-helixtrans-62.6-37.2173.11770000111.9S956 S963S956-S959 WeakPolarHBondContact O-CA 3.28Å; S956-S959 WeakPolarHBondContact O-CB 3.48Å; S956-S959 PolarHBondContact O-N 2.91Å; S956-S959 WeakPolarHBondContact OG-CB 3.48Å; S956-S959 PolarHBondContact OG-N 2.72Å; S956-S959 VanDerWaalsContact OG-N 3.16Å; S959-S963 WeakPolarHBondContact O-CB 3.3Å; S959-S963 PolarHBondContact O-N 3.06Å; S959-S963 PolarHBondContact O-OG 3.45Å
960M66Low66.5Low39 Ų3982.8 Ų82.819%0.19243%0.429CS..Hα-helixtrans-67.9-45.1178.2-164.1-178.8-6800111.4V928 P955 S956 V957 E958 S963 F964V928-M960 HydrophobicContact CG1-CG 4.12Å; V928-M960 HydrophobicContact CG1-SD 4.45Å; P955-M960 HydrophobicContact CG-CE 3.78Å; S956-M960 PolarHBondContact O-N 2.58Å; V957-M960 PolarHBondContact O-N 2.95Å; E958-M960 VanDerWaalsContact C-N 3.29Å; E958-M960 PolarHBondContact O-N 3.49Å; M960-S963 PolarHBondContact O-N 2.91Å; M960-F964 HydrophobicContact CG-CD2 3.95Å; M960-F964 HydrophobicContact CG-CE2 4.29Å; M960-F964 WeakPolarHBondContact O-CD2 3.45Å; M960-F964 PolarHBondContact O-N 2.91Å; M960-F964 VanDerWaalsContact O-N 3.1Å
961I72.5Confident69.3Low16 Ų1673.5 Ų73.58%0.08239%0.394CS..Hα-helixtrans-59.1-51.5174.7-72.8167.9000110Y885 V957 E958 S963 F964 W965Y885-I961 HydrophobicContact CD1-CG2 4Å; Y885-I961 HydrophobicContact CD2-CG2 3.53Å; Y885-I961 HydrophobicContact CE1-CG2 4.43Å; Y885-I961 HydrophobicContact CE2-CG2 4.02Å; Y885-I961 HydrophobicContact CG-CG2 3.51Å; V957-I961 HydrophobicContact CG1-CD1 3.83Å; V957-I961 HydrophobicContact CG1-CG1 4.4Å; V957-I961 WeakPolarHBondContact O-CB 2.86Å; V957-I961 VanDerWaalsContact O-CG1 3.25Å; V957-I961 WeakPolarHBondContact O-CG1 3Å; V957-I961 PolarHBondContact O-N 3.43Å; E958-I961 PolarHBondContact O-N 2.85Å; I961-S963 PolarHBondContact O-N 3.38Å; I961-F964 PolarHBondContact O-N 3.27Å; I961-W965 HydrophobicContact CG2-CB 4.44Å; I961-W965 HydrophobicContact CG2-CE3 3.97Å; I961-W965 WeakPolarHBondContact O-CB 3.42Å; I961-W965 PolarHBondContact O-N 3.23Å
962Q71.9Confident72Confident98 Ų9865.9 Ų65.946%0.45835%0.353SS..Hα-helixtrans-61-34.5-179.1-72-177.71.800113E958E958-Q962 WeakPolarHBondContact O-CG 3.46Å; E958-Q962 PolarHBondContact O-N 3.42Å
963S69.3Low74.5Confident55 Ų5560.3 Ų60.339%0.38532%0.322SS..Hα-helixtrans-74.7-40.6-177.6-59.60000113.4S959 M960 I961S959-S963 WeakPolarHBondContact O-CB 3.3Å; S959-S963 PolarHBondContact O-N 3.06Å; S959-S963 PolarHBondContact O-OG 3.45Å; M960-S963 PolarHBondContact O-N 2.91Å; I961-S963 PolarHBondContact O-N 3.38Å
964F73.4Confident76.6Confident96 Ų9663 Ų6342%0.42131%0.314SS..Hα-helixtrans-109.5-14.5-168.6-68.2-74.9000114.9V928 M960 I961 R966V928-F964 HydrophobicContact CB-CB 4.38Å; V928-F964 HydrophobicContact CG1-CB 3.89Å; V928-F964 HydrophobicContact CG1-CD2 4.49Å; V928-F964 HydrophobicContact CG1-CG 4.5Å; V928-F964 HydrophobicContact CG2-CB 3.87Å; M960-F964 HydrophobicContact CG-CD2 3.95Å; M960-F964 HydrophobicContact CG-CE2 4.29Å; M960-F964 WeakPolarHBondContact O-CD2 3.45Å; M960-F964 PolarHBondContact O-N 2.91Å; M960-F964 VanDerWaalsContact O-N 3.1Å; I961-F964 PolarHBondContact O-N 3.27Å; F964-R966 PolarHBondContact O-N 3.3Å
965W83.8Confident78.6Confident0 Ų052.5 Ų52.50%028%0.275CS..  trans-65.2123.8-177.9-177.1-73000112.2L883 Y885 F888 F921 E924 I961L883-W965 VanDerWaalsContact O-CD1 3.29Å; Y885-W965 AromaticContact CD2-CD2 3.82Å; Y885-W965 HydrophobicContact CD2-CD2 3.82Å; Y885-W965 AromaticContact CD2-CE3 3.76Å; Y885-W965 HydrophobicContact CD2-CE3 3.76Å; Y885-W965 HydrophobicContact CD2-CG 4.41Å; Y885-W965 AromaticContact CD2-CH2 3.96Å; Y885-W965 HydrophobicContact CD2-CH2 3.96Å; Y885-W965 HydrophobicContact CD2-CZ2 4.12Å; Y885-W965 AromaticContact CD2-CZ3 3.82Å; Y885-W965 HydrophobicContact CD2-CZ3 3.82Å; Y885-W965 HydrophobicContact CE2-CE3 4.4Å; Y885-W965 HydrophobicContact CE2-CH2 4.1Å; Y885-W965 HydrophobicContact CE2-CZ3 4.03Å; F888-W965 HydrophobicContact CB-CZ2 4.22Å; F888-W965 AromaticContact CD1-CH2 3.82Å; F888-W965 HydrophobicContact CD1-CH2 3.82Å; F888-W965 AromaticContact CD1-CZ2 3.28Å; F888-W965 HydrophobicContact CD1-CZ2 3.28Å; F888-W965 HydrophobicContact CD2-CZ2 4.16Å; F888-W965 AromaticContact CE1-CH2 3.65Å; F888-W965 HydrophobicContact CE1-CH2 3.65Å; F888-W965 AromaticContact CE1-CZ2 3.53Å; F888-W965 HydrophobicContact CE1-CZ2 3.53Å; F888-W965 HydrophobicContact CE2-CZ2 4.35Å; F888-W965 AromaticContact CG-CZ2 3.61Å; F888-W965 HydrophobicContact CG-CZ2 3.61Å; F888-W965 HydrophobicContact CZ-CH2 4.25Å; F888-W965 HydrophobicContact CZ-CZ2 4.06Å; F921-W965 HydrophobicContact CB-CH2 4.26Å; F921-W965 AromaticContact CD2-CH2 3.68Å; F921-W965 HydrophobicContact CD2-CH2 3.68Å; F921-W965 AromaticContact CD2-CZ3 3.71Å; F921-W965 HydrophobicContact CD2-CZ3 3.71Å; F921-W965 HydrophobicContact CE2-CH2 4.48Å; F921-W965 HydrophobicContact CE2-CZ3 4.13Å; F921-W965 HydrophobicContact CG-CH2 4.33Å; F921-W965 HydrophobicContact CG-CZ3 4.46Å; E924-W965 HydrophobicContact CB-CD2 3.97Å; E924-W965 HydrophobicContact CB-CE3 3.74Å; E924-W965 HydrophobicContact CB-CH2 3.84Å; E924-W965 HydrophobicContact CB-CZ2 3.96Å; E924-W965 HydrophobicContact CB-CZ3 3.69Å; E924-W965 HydrophobicContact CG-CD2 4.38Å; E924-W965 HydrophobicContact CG-CH2 4.45Å; E924-W965 HydrophobicContact CG-CZ2 4.1Å; I961-W965 HydrophobicContact CG2-CB 4.44Å; I961-W965 HydrophobicContact CG2-CE3 3.97Å; I961-W965 WeakPolarHBondContact O-CB 3.42Å; I961-W965 PolarHBondContact O-N 3.23Å
966R84.8Confident80.6Confident71 Ų7149.3 Ų49.327%0.26825%0.254SS..  trans-144.875.5179.7-67-66-179.4-79.7-5.6110.2E856 S882 E924 F964 K968E856-R966 IonicContact OE1-CZ 3.24Å; E856-R966 IonicContact OE1-NE 3.16Å; E856-R966 PolarHBondContact OE1-NE 3.1Å; E856-R966 IonicContact OE1-NH2 3.36Å; E856-R966 PolarHBondContact OE1-NH2 3.37Å; E856-R966 IonicContact OE2-CZ 3.51Å; E856-R966 IonicContact OE2-NE 2.96Å; E856-R966 PolarHBondContact OE2-NE 2.7Å; E856-R966 IonicContact OE2-NH2 3.75Å; E856-R966 PolarHBondContact OE2-NH2 3.49Å; S882-R966 VanDerWaalsContact OG-CD 3.31Å; S882-R966 WeakPolarHBondContact OG-CD 3.36Å; E924-R966 PolarHBondContact OE2-N 3.47Å; F964-R966 PolarHBondContact O-N 3.3Å; R966-K968 PolarHBondContact O-N 3.31Å; R966-K968 VanDerWaalsContact O-N 3.15Å
967L89.5Confident82Confident1 Ų151.2 Ų51.21%0.00525%0.25CS..EExtended strand (participates in β ladder)trans-66.1115.1177.8174.763.8000110.4F750 S882 L883 F888 L920 E924 D971 F972F750-L967 WeakPolarHBondContact CZ-O 3.33Å; S882-L967 CarbonylContact C-O 3.58Å; S882-L967 WeakPolarHBondContact CA-O 3.14Å; S882-L967 WeakPolarHBondContact CB-O 3.45Å; L883-L967 PolarHBondContact N-O 3.33Å; L883-L967 PolarHBondContact O-N 2.82Å; L883-L967 VanDerWaalsContact O-N 3.09Å; F888-L967 HydrophobicContact CB-CD2 4.32Å; F888-L967 HydrophobicContact CD2-CD2 3.48Å; F888-L967 VanDerWaalsContact CD2-CD2 3.48Å; F888-L967 HydrophobicContact CE2-CD2 4.17Å; F888-L967 HydrophobicContact CG-CD2 4.23Å; L920-L967 HydrophobicContact CD1-CD2 4.4Å; L920-L967 HydrophobicContact CD2-CD1 3.83Å; E924-L967 HydrophobicContact CG-CB 4.42Å; E924-L967 HydrophobicContact CG-CD1 4.3Å; L967-D971 HydrophobicContact CD1-CB 4.25Å; L967-F972 HydrophobicContact CD1-CB 4.48Å; L967-F972 HydrophobicContact CD2-CB 4.37Å; L967-F972 HydrophobicContact CG-CB 4.48Å
968K89.7Confident83.3Confident86 Ų8652.3 Ų52.337%0.37425%0.247SC..EExtended strand (participates in β ladder)trans-82151177-60.1-175.9179.9-170.70111.9R966 C970 D971 F972R966-K968 PolarHBondContact O-N 3.31Å; R966-K968 VanDerWaalsContact O-N 3.15Å; K968-C970 VanDerWaalsContact C-N 3.27Å; K968-C970 PolarHBondContact O-N 2.91Å; K968-D971 PolarHBondContact O-N 3.09Å; K968-F972 PolarHBondContact O-N 3.43Å
969L89Confident84.7Confident0 Ų047 Ų470%022%0.222CC..Hα-helixtrans-56.3-41.6176.7173.765.6000112.2R747 F750 F867 D971 F972 Q973R747-L969 HydrophobicContact CG-CD1 4.27Å; R747-L969 HydrophobicContact CG-CD2 3.79Å; F750-L969 HydrophobicContact CB-CD1 3.77Å; F750-L969 HydrophobicContact CD1-CB 4.11Å; F750-L969 HydrophobicContact CD1-CD1 3.98Å; F750-L969 HydrophobicContact CD2-CD1 4.02Å; F750-L969 HydrophobicContact CE1-CB 3.84Å; F750-L969 HydrophobicContact CE2-CB 4.3Å; F750-L969 HydrophobicContact CG-CB 4.43Å; F750-L969 HydrophobicContact CG-CD1 3.67Å; F750-L969 HydrophobicContact CZ-CB 3.94Å; F867-L969 HydrophobicContact CE1-CD2 4.18Å; F867-L969 HydrophobicContact CZ-CD2 3.57Å; L969-D971 VanDerWaalsContact C-N 3.3Å; L969-D971 PolarHBondContact O-N 3.46Å; L969-F972 HydrophobicContact CD1-CD1 4.37Å; L969-F972 PolarHBondContact O-N 2.9Å; L969-Q973 HydrophobicContact CD1-CG 3.99Å; L969-Q973 HydrophobicContact CG-CG 4.31Å; L969-Q973 WeakPolarHBondContact O-CB 3.49Å; L969-Q973 VanDerWaalsContact O-CG 3.32Å; L969-Q973 WeakPolarHBondContact O-CG 2.99Å; L969-Q973 PolarHBondContact O-N 3.23Å
970C88.2Confident86Confident33 Ų3348.1 Ų48.122%0.22323%0.227CC..Hα-helixtrans-66.8-32.2-177.364.10000112.6K968 K974K968-C970 VanDerWaalsContact C-N 3.27Å; K968-C970 PolarHBondContact O-N 2.91Å; C970-K974 WeakPolarHBondContact O-CB 3.31Å; C970-K974 WeakPolarHBondContact O-CD 3.18Å; C970-K974 WeakPolarHBondContact O-CG 3.44Å; C970-K974 PolarHBondContact O-N 3.41Å
971D90.4Very high87.2Confident23 Ų2348.9 Ų48.912%0.12323%0.231CC..Hα-helixtrans-75.7-42.4176.8-64-44.2000110.8Q923 L967 K968 L969 Q973 K974 A975Q923-D971 PolarHBondContact NE2-OD1 2.93Å; L967-D971 HydrophobicContact CD1-CB 4.25Å; K968-D971 PolarHBondContact O-N 3.09Å; L969-D971 VanDerWaalsContact C-N 3.3Å; L969-D971 PolarHBondContact O-N 3.46Å; D971-Q973 PolarHBondContact O-N 2.76Å; D971-K974 PolarHBondContact O-N 2.77Å; D971-K974 IonicContact OD1-NZ 3.92Å; D971-A975 PolarHBondContact O-N 3.48Å
972F93.2Very high88.1Confident0 Ų048.1 Ų48.10%023%0.227CC..Hα-helixtrans-55.1-50.9170.3172.3-115.9000111.8L746 F750 L891 I895 L916 L920 L967 K968 L969 K974 A975 F976L746-F972 HydrophobicContact CB-CE1 3.97Å; L746-F972 HydrophobicContact CD2-CE1 3.75Å; L746-F972 HydrophobicContact CD2-CZ 3.85Å; L746-F972 HydrophobicContact CG-CE1 4.33Å; F750-F972 HydrophobicContact CB-CD1 4.49Å; F750-F972 HydrophobicContact CD2-CB 4.23Å; F750-F972 AromaticContact CD2-CD1 3.87Å; F750-F972 HydrophobicContact CD2-CD1 3.87Å; F750-F972 HydrophobicContact CD2-CG 4.18Å; F750-F972 HydrophobicContact CE2-CB 4.22Å; L891-F972 HydrophobicContact CD1-CZ 4.43Å; L891-F972 HydrophobicContact CD2-CD1 4.47Å; L891-F972 HydrophobicContact CD2-CD2 4.08Å; L891-F972 HydrophobicContact CD2-CE1 4.23Å; L891-F972 HydrophobicContact CD2-CE2 3.84Å; L891-F972 HydrophobicContact CD2-CG 4.4Å; L891-F972 HydrophobicContact CD2-CZ 3.92Å; L891-F972 HydrophobicContact CG-CE2 4.42Å; L891-F972 HydrophobicContact CG-CZ 4.41Å; I895-F972 HydrophobicContact CD1-CE2 3.89Å; I895-F972 HydrophobicContact CD1-CZ 3.83Å; L916-F972 HydrophobicContact CD2-CE2 4.39Å; L920-F972 HydrophobicContact CD1-CD2 3.89Å; L967-F972 HydrophobicContact CD1-CB 4.48Å; L967-F972 HydrophobicContact CD2-CB 4.37Å; L967-F972 HydrophobicContact CG-CB 4.48Å; K968-F972 PolarHBondContact O-N 3.43Å; L969-F972 HydrophobicContact CD1-CD1 4.37Å; L969-F972 PolarHBondContact O-N 2.9Å; F972-K974 PolarHBondContact O-N 2.89Å; F972-A975 PolarHBondContact O-N 3.34Å; F972-F976 HydrophobicContact CE2-CD2 4.01Å; F972-F976 AromaticContact CZ-CD2 3.87Å; F972-F976 HydrophobicContact CZ-CD2 3.87Å; F972-F976 HydrophobicContact CZ-CE2 4.47Å; F972-F976 WeakPolarHBondContact O-CB 3.28Å; F972-F976 PolarHBondContact O-N 2.94Å
973Q92.2Very high89.1Confident28 Ų2846.8 Ų46.813%0.13122%0.218CC..Hα-helixtrans-60.3-46.5178.7-73.8-179.9-37.900111.6N743 L746 L969 D971 A975 F976 W977N743-Q973 PolarHBondContact OD1-NE2 3.04Å; L746-Q973 HydrophobicContact CB-CG 4.32Å; L746-Q973 HydrophobicContact CD1-CG 4.13Å; L969-Q973 HydrophobicContact CD1-CG 3.99Å; L969-Q973 HydrophobicContact CG-CG 4.31Å; L969-Q973 WeakPolarHBondContact O-CB 3.49Å; L969-Q973 VanDerWaalsContact O-CG 3.32Å; L969-Q973 WeakPolarHBondContact O-CG 2.99Å; L969-Q973 PolarHBondContact O-N 3.23Å; D971-Q973 PolarHBondContact O-N 2.76Å; Q973-A975 PolarHBondContact O-N 3.24Å; Q973-F976 PolarHBondContact O-N 3.48Å; Q973-W977 WeakPolarHBondContact O-CB 3.49Å; Q973-W977 PolarHBondContact O-N 3.26Å
974K91.5Very high90.2Very high125 Ų12548.5 Ų48.554%0.54322%0.223SC..Hα-helixtrans-59.9-45179-76.7168.3-169.3165.90112.4C970 D971 F972 W977C970-K974 WeakPolarHBondContact O-CB 3.31Å; C970-K974 WeakPolarHBondContact O-CD 3.18Å; C970-K974 WeakPolarHBondContact O-CG 3.44Å; C970-K974 PolarHBondContact O-N 3.41Å; D971-K974 PolarHBondContact O-N 2.77Å; D971-K974 IonicContact OD1-NZ 3.92Å; F972-K974 PolarHBondContact O-N 2.89Å; K974-W977 PolarHBondContact O-N 2.94Å
975A93.4Very high91Very high1 Ų146.8 Ų46.81%0.00822%0.216CC..Hα-helixtrans-66-43.5177.800000110.9L916 L920 D971 F972 Q973 W977 K978L916-A975 HydrophobicContact CD1-CB 3.68Å; L920-A975 HydrophobicContact CD1-CB 4.41Å; L920-A975 HydrophobicContact CD2-CB 3.45Å; L920-A975 VanDerWaalsContact CD2-CB 3.45Å; L920-A975 HydrophobicContact CG-CB 3.81Å; D971-A975 PolarHBondContact O-N 3.48Å; F972-A975 PolarHBondContact O-N 3.34Å; Q973-A975 PolarHBondContact O-N 3.24Å; A975-W977 VanDerWaalsContact C-N 3.33Å; A975-W977 PolarHBondContact O-N 2.9Å; A975-K978 WeakPolarHBondContact O-CB 3.43Å; A975-K978 PolarHBondContact O-N 3.46Å
976F95.2Very high91.4Very high0 Ų047 Ų470%022%0.217CC..Hα-helixtrans-60.2-41.9177.2-159.3-75.6000112.1L742 L746 I895 L916 F972 Q973 K978 Q979 L982 F986L742-F976 HydrophobicContact CD1-CD1 4.34Å; L742-F976 HydrophobicContact CD1-CE1 3.94Å; L742-F976 HydrophobicContact CD2-CD1 4.47Å; L746-F976 HydrophobicContact CD1-CB 4.02Å; L746-F976 HydrophobicContact CD1-CD1 3.92Å; L746-F976 HydrophobicContact CD1-CG 3.94Å; L746-F976 HydrophobicContact CD2-CB 4.43Å; L746-F976 HydrophobicContact CD2-CD1 3.84Å; L746-F976 HydrophobicContact CD2-CD2 3.6Å; L746-F976 HydrophobicContact CD2-CE1 3.93Å; L746-F976 HydrophobicContact CD2-CE2 3.7Å; L746-F976 HydrophobicContact CD2-CG 3.68Å; L746-F976 HydrophobicContact CD2-CZ 3.86Å; L746-F976 HydrophobicContact CG-CD1 4.45Å; L746-F976 HydrophobicContact CG-CG 4.48Å; I895-F976 HydrophobicContact CD1-CE2 4.12Å; I895-F976 HydrophobicContact CG2-CE2 4.32Å; L916-F976 HydrophobicContact CD1-CB 4.36Å; L916-F976 HydrophobicContact CD2-CD2 3.57Å; L916-F976 HydrophobicContact CD2-CE2 4.04Å; L916-F976 HydrophobicContact CD2-CG 4.46Å; F972-F976 HydrophobicContact CE2-CD2 4.01Å; F972-F976 AromaticContact CZ-CD2 3.87Å; F972-F976 HydrophobicContact CZ-CD2 3.87Å; F972-F976 HydrophobicContact CZ-CE2 4.47Å; F972-F976 WeakPolarHBondContact O-CB 3.28Å; F972-F976 PolarHBondContact O-N 2.94Å; Q973-F976 PolarHBondContact O-N 3.48Å; F976-K978 PolarHBondContact O-N 3.13Å; F976-Q979 PolarHBondContact O-N 2.87Å; F976-L982 HydrophobicContact CE1-CB 3.86Å; F976-L982 HydrophobicContact CE2-CD1 4.38Å; F976-L982 HydrophobicContact CZ-CB 3.81Å; F976-L982 HydrophobicContact CZ-CD1 4.46Å; F976-F986 HydrophobicContact CE1-CB 4.38Å; F976-F986 HydrophobicContact CE1-CD2 4.26Å; F976-F986 HydrophobicContact CE1-CG 4.41Å; F976-F986 HydrophobicContact CZ-CB 4.47Å; F976-F986 AromaticContact CZ-CD2 3.66Å; F976-F986 HydrophobicContact CZ-CD2 3.66Å; F976-F986 AromaticContact CZ-CE2 3.98Å; F976-F986 HydrophobicContact CZ-CE2 3.98Å; F976-F986 HydrophobicContact CZ-CG 4.01Å
977W92.2Very high91.7Very high111 Ų11145.5 Ų45.542%0.4222%0.217SC..Hα-helixtrans-61.9-24.6179.1-93.3101.3000114.2L742 N743 Q973 K974 A975 R983L742-W977 HydrophobicContact CB-CZ2 4.49Å; L742-W977 HydrophobicContact CD2-CD2 4.23Å; L742-W977 HydrophobicContact CD2-CH2 4.31Å; L742-W977 HydrophobicContact CD2-CZ2 3.88Å; N743-W977 PolarHBondContact OD1-NE1 3.48Å; Q973-W977 WeakPolarHBondContact O-CB 3.49Å; Q973-W977 PolarHBondContact O-N 3.26Å; K974-W977 PolarHBondContact O-N 2.94Å; A975-W977 VanDerWaalsContact C-N 3.33Å; A975-W977 PolarHBondContact O-N 2.9Å; W977-R983 HydrophobicContact CE3-CG 4.07Å; W977-R983 VanDerWaalsContact CZ3-CD 3.4Å; W977-R983 HydrophobicContact CZ3-CG 4.09Å; W977-R983 PolarHBondContact O-NH1 3.45Å
978K93.2Very high91.7Very high128 Ų12851.8 Ų51.856%0.55724%0.244SC*.Hα-helixtrans-75.1-26.6175.9-67.3174-174176.50112.5E919 A975 F976 V980E919-K978 WeakPolarHBondContact OE1-CD 3.47Å; E919-K978 WeakPolarHBondContact OE1-CE 3.23Å; E919-K978 IonicContact OE1-NZ 2.63Å; E919-K978 PolarHBondContact OE1-NZ 2.88Å; A975-K978 WeakPolarHBondContact O-CB 3.43Å; A975-K978 PolarHBondContact O-N 3.46Å; F976-K978 PolarHBondContact O-N 3.13Å; K978-V980 PolarHBondContact O-N 3.09Å; K978-V980 VanDerWaalsContact O-N 3.11Å
979Q93.8Very high91.6Very high27 Ų2754.1 Ų54.113%0.12626%0.256CS..  trans-80.393.5180-55.9-55.5-30.600110L916 F976 L981 L982 R983L916-Q979 HydrophobicContact CB-CG 4.09Å; L916-Q979 HydrophobicContact CD1-CG 4.33Å; F976-Q979 PolarHBondContact O-N 2.87Å; Q979-L981 PolarHBondContact O-N 3.48Å; Q979-L982 HydrophobicContact CB-CB 4.05Å; Q979-L982 HydrophobicContact CB-CD1 3.91Å; Q979-L982 HydrophobicContact CB-CG 4.12Å; Q979-L982 HydrophobicContact CG-CD1 4.25Å; Q979-L982 PolarHBondContact O-N 3.16Å; Q979-R983 VanDerWaalsContact O-CB 3.3Å; Q979-R983 WeakPolarHBondContact O-CB 3.32Å; Q979-R983 PolarHBondContact O-N 3.29Å
980V92Very high91.5Very high73 Ų7356.5 Ų56.544%0.44227%0.269SS..Hα-helixtrans-58.7-43.7-170.71760000112.6K978 N984K978-V980 PolarHBondContact O-N 3.09Å; K978-V980 VanDerWaalsContact O-N 3.11Å; V980-N984 WeakPolarHBondContact O-CB 3.32Å; V980-N984 PolarHBondContact O-N 2.89Å; V980-N984 PolarHBondContact O-ND2 3.18Å; V980-N984 PolarHBondContact O-OD1 3.47Å
981L91.2Very high91.6Very high54 Ų5458 Ų5828%0.28328%0.28SS..Hα-helixtrans-65.9-47.7-179.5-66.3177.1000111.6E908 M909 Q979 R983 N984 H985E908-L981 HydrophobicContact CB-CD1 3.57Å; M909-L981 HydrophobicContact CG-CB 3.97Å; Q979-L981 PolarHBondContact O-N 3.48Å; L981-R983 PolarHBondContact O-N 3.17Å; L981-N984 PolarHBondContact O-N 3.41Å; L981-H985 WeakPolarHBondContact O-CB 3.44Å; L981-H985 PolarHBondContact O-N 3.25Å
982L92.8Very high91.6Very high0 Ų058.6 Ų58.60%028%0.283CS..Hα-helixtrans-61.6-44.7176.6-62.8-178.6000111.7V899 M909 V913 L916 F976 Q979 N984 H985 F986V899-L982 HydrophobicContact CG2-CD2 3.76Å; M909-L982 HydrophobicContact CB-CD2 4.37Å; V913-L982 HydrophobicContact CG2-CD1 3.98Å; V913-L982 HydrophobicContact CG2-CD2 3.74Å; V913-L982 HydrophobicContact CG2-CG 4.47Å; L916-L982 HydrophobicContact CD2-CD1 4.18Å; F976-L982 HydrophobicContact CE1-CB 3.86Å; F976-L982 HydrophobicContact CE2-CD1 4.38Å; F976-L982 HydrophobicContact CZ-CB 3.81Å; F976-L982 HydrophobicContact CZ-CD1 4.46Å; Q979-L982 HydrophobicContact CB-CB 4.05Å; Q979-L982 HydrophobicContact CB-CD1 3.91Å; Q979-L982 HydrophobicContact CB-CG 4.12Å; Q979-L982 HydrophobicContact CG-CD1 4.25Å; Q979-L982 PolarHBondContact O-N 3.16Å; L982-N984 VanDerWaalsContact C-N 3.33Å; L982-N984 PolarHBondContact O-N 3.35Å; L982-H985 PolarHBondContact O-N 3.36Å; L982-F986 WeakPolarHBondContact O-CD2 3.46Å; L982-F986 PolarHBondContact O-N 2.95Å
983R93.4Very high91.4Very high71 Ų7164.5 Ų64.527%0.26831%0.31SS..Hα-helixtrans-56.4-48.4175.3179.4-172.368.5-159.79.5111.2L742 W977 Q979 L981 H985 S987L742-R983 HydrophobicContact CD2-CB 4.38Å; L742-R983 HydrophobicContact CD2-CG 3.77Å; W977-R983 HydrophobicContact CE3-CG 4.07Å; W977-R983 VanDerWaalsContact CZ3-CD 3.4Å; W977-R983 HydrophobicContact CZ3-CG 4.09Å; W977-R983 PolarHBondContact O-NH1 3.45Å; Q979-R983 VanDerWaalsContact O-CB 3.3Å; Q979-R983 WeakPolarHBondContact O-CB 3.32Å; Q979-R983 PolarHBondContact O-N 3.29Å; L981-R983 PolarHBondContact O-N 3.17Å; R983-H985 VanDerWaalsContact C-N 3.34Å; R983-S987 WeakPolarHBondContact O-CB 3.43Å; R983-S987 PolarHBondContact O-N 3.05Å; R983-S987 PolarHBondContact O-OG 3.37Å
984N90.7Very high91.3Very high91 Ų9171 Ų7149%0.48733%0.334SS..Hα-helixtrans-65.5-39.9-178.5-67.9-8.4000111.4V980 L981 L982 K988V980-N984 WeakPolarHBondContact O-CB 3.32Å; V980-N984 PolarHBondContact O-N 2.89Å; V980-N984 PolarHBondContact O-ND2 3.18Å; V980-N984 PolarHBondContact O-OD1 3.47Å; L981-N984 PolarHBondContact O-N 3.41Å; L982-N984 VanDerWaalsContact C-N 3.33Å; L982-N984 PolarHBondContact O-N 3.35Å; N984-K988 PolarHBondContact O-N 3.02Å
985H90.6Very high91.3Very high60 Ų6066 Ų6628%0.27831%0.312SS..Hα-helixtrans-63.7-53.5177-178.380.3000112.1V902 M909 L981 L982 R983 S987 K988V902-H985 WeakPolarHBondContact CG2-CE1 3.43Å; M909-H985 HydrophobicContact SD-CB 3.94Å; L981-H985 WeakPolarHBondContact O-CB 3.44Å; L981-H985 PolarHBondContact O-N 3.25Å; L982-H985 PolarHBondContact O-N 3.36Å; R983-H985 VanDerWaalsContact C-N 3.34Å; H985-S987 PolarHBondContact O-N 3.46Å; H985-K988 VanDerWaalsContact O-CB 3.29Å; H985-K988 WeakPolarHBondContact O-CB 3.2Å; H985-K988 PolarHBondContact O-N 2.85Å
986F91.9Very high91.2Very high5 Ų566 Ų662%0.02231%0.312CS..Hα-helixtrans-73.3-25.6-175.9-80.5-99000113.3L742 K745 L749 I895 I898 F976 L982 K988L742-F986 HydrophobicContact CD1-CB 3.45Å; L742-F986 VanDerWaalsContact CD1-CB 3.45Å; L742-F986 HydrophobicContact CD1-CG 4.49Å; K745-F986 VanDerWaalsContact CD-O 3.23Å; K745-F986 WeakPolarHBondContact CD-O 3.44Å; K745-F986 VanDerWaalsContact CE-O 3.28Å; K745-F986 WeakPolarHBondContact CE-O 3.32Å; K745-F986 PolarHBondContact NZ-O 3.49Å; L749-F986 HydrophobicContact CD1-CE1 3.99Å; I895-F986 HydrophobicContact CG2-CE2 4.48Å; I895-F986 HydrophobicContact CG2-CZ 4.4Å; I898-F986 HydrophobicContact CB-CZ 4.26Å; I898-F986 HydrophobicContact CD1-CE1 4.24Å; I898-F986 HydrophobicContact CD1-CZ 4.23Å; I898-F986 HydrophobicContact CG2-CE1 4.22Å; I898-F986 HydrophobicContact CG2-CE2 4.49Å; I898-F986 HydrophobicContact CG2-CZ 3.72Å; F976-F986 HydrophobicContact CE1-CB 4.38Å; F976-F986 HydrophobicContact CE1-CD2 4.26Å; F976-F986 HydrophobicContact CE1-CG 4.41Å; F976-F986 HydrophobicContact CZ-CB 4.47Å; F976-F986 AromaticContact CZ-CD2 3.66Å; F976-F986 HydrophobicContact CZ-CD2 3.66Å; F976-F986 AromaticContact CZ-CE2 3.98Å; F976-F986 HydrophobicContact CZ-CE2 3.98Å; F976-F986 HydrophobicContact CZ-CG 4.01Å; L982-F986 WeakPolarHBondContact O-CD2 3.46Å; L982-F986 PolarHBondContact O-N 2.95Å; F986-K988 VanDerWaalsContact C-N 3.26Å; F986-K988 PolarHBondContact O-N 3.31Å
987S92.2Very high90.9Very high38 Ų3868.8 Ų68.827%0.26633%0.332SS..THydrogen-bonded Turntrans-76.1-10.5173.1-63.90000113.8R983 H985 E989R983-S987 WeakPolarHBondContact O-CB 3.43Å; R983-S987 PolarHBondContact O-N 3.05Å; R983-S987 PolarHBondContact O-OG 3.37Å; H985-S987 PolarHBondContact O-N 3.46Å; S987-E989 PolarHBondContact O-N 2.98Å
988K89.5Confident90.6Very high134 Ų13468.6 Ų68.658%0.58333%0.334SS*.SBendtrans-68.3127.2179.2-170.9175.4-179.2175.10110.1K745 N984 H985 F986K745-K988 PolarHBondContact NZ-O 3.02Å; N984-K988 PolarHBondContact O-N 3.02Å; H985-K988 VanDerWaalsContact O-CB 3.29Å; H985-K988 WeakPolarHBondContact O-CB 3.2Å; H985-K988 PolarHBondContact O-N 2.85Å; F986-K988 VanDerWaalsContact C-N 3.26Å; F986-K988 PolarHBondContact O-N 3.31Å
989E86.5Confident90.4Very high134 Ų13462.6 Ų62.663%0.62631%0.307SS*.  trans-72131.3171.9-168.3173.5177.400109.9C738 H740 S987C738-E989 WeakPolarHBondContact O-CA 3.4Å; H740-E989 HydrophobicContact CB-CB 4.36Å; S987-E989 PolarHBondContact O-N 2.98Å
990L88.4Confident90Very high51 Ų5163.5 Ų63.527%0.26731%0.31SS..  trans-108.1128.2-179-63.6169.2000108.7P701 C738 I992P701-L990 HydrophobicContact CB-CD1 4.18Å; P701-L990 HydrophobicContact CG-CD1 3.4Å; C738-L990 HydrophobicContact CB-CB 4.19Å; C738-L990 WeakPolarHBondContact CB-O 3.39Å; C738-L990 PolarHBondContact O-N 3.48Å; L990-I992 PolarHBondContact O-N 3.38Å; L990-I992 VanDerWaalsContact O-N 3.16Å
991S89.7Confident89.4Confident63 Ų6366.4 Ų66.444%0.44132%0.318SS..  trans-67.6114.4177.6168.20000110.4E993 R994 Q995S991-E993 VanDerWaalsContact C-N 3.26Å; S991-E993 PolarHBondContact O-N 3.18Å; S991-E993 PolarHBondContact OG-N 3.45Å; S991-R994 PolarHBondContact O-N 3.31Å; S991-R994 PolarHBondContact OG-N 2.92Å; S991-R994 VanDerWaalsContact OG-N 3.16Å; S991-Q995 PolarHBondContact O-N 2.63Å
992I90.1Very high88.9Confident37 Ų3770.8 Ų70.819%0.1933%0.331CS..Hα-helixtrans-58-42172.4-66174.6000109.9L646 M734 C738 L990 R994 Q995 C996L646-I992 HydrophobicContact CB-CG2 4.08Å; L646-I992 HydrophobicContact CD1-CG2 4.05Å; L646-I992 HydrophobicContact CD2-CG2 4.05Å; L646-I992 HydrophobicContact CG-CG2 4.28Å; M734-I992 HydrophobicContact CB-CD1 4.47Å; C738-I992 HydrophobicContact CB-CD1 4.46Å; C738-I992 HydrophobicContact CB-CG1 3.91Å; L990-I992 PolarHBondContact O-N 3.38Å; L990-I992 VanDerWaalsContact O-N 3.16Å; I992-R994 VanDerWaalsContact C-N 3.3Å; I992-R994 PolarHBondContact O-N 3.49Å; I992-Q995 PolarHBondContact O-N 2.89Å; I992-C996 PolarHBondContact O-N 3.3Å; I992-C996 PolarHBondContact O-SG 3.47Å
993E89.2Confident88.1Confident123 Ų12371.9 Ų71.958%0.57534%0.337SS*.Hα-helixtrans-55.1-43.3177.2-174.5179.4-175.700112.7L645 S991 Q995 C996 S997L645-E993 HydrophobicContact CD1-CG 3.61Å; S991-E993 VanDerWaalsContact C-N 3.26Å; S991-E993 PolarHBondContact O-N 3.18Å; S991-E993 PolarHBondContact OG-N 3.45Å; E993-Q995 VanDerWaalsContact C-N 3.34Å; E993-Q995 PolarHBondContact O-N 3.35Å; E993-C996 PolarHBondContact O-N 3.07Å; E993-S997 PolarHBondContact O-N 2.9Å; E993-S997 PolarHBondContact O-OG 3.46Å
994R89.7Confident87Confident165 Ų16569.6 Ų69.662%0.62333%0.328SS*.Hα-helixtrans-65.3-38.4177.4-172.2177.8-178.8-174.6-1.2111.6S991 I992 S997 K998S991-R994 PolarHBondContact O-N 3.31Å; S991-R994 PolarHBondContact OG-N 2.92Å; S991-R994 VanDerWaalsContact OG-N 3.16Å; I992-R994 VanDerWaalsContact C-N 3.3Å; I992-R994 PolarHBondContact O-N 3.49Å; R994-S997 PolarHBondContact O-N 2.98Å; R994-K998 PolarHBondContact O-N 3.1Å
995Q91Very high85.6Confident21 Ų2169.6 Ų69.610%0.09834%0.335CS..Hα-helixtrans-67.6-44176.4-57.7-51.2-26.600111.3L699 S991 I992 E993 S997 K998 F999L699-Q995 WeakPolarHBondContact O-CB 3.13Å; S991-Q995 PolarHBondContact O-N 2.63Å; I992-Q995 PolarHBondContact O-N 2.89Å; E993-Q995 VanDerWaalsContact C-N 3.34Å; E993-Q995 PolarHBondContact O-N 3.35Å; Q995-S997 VanDerWaalsContact C-N 3.29Å; Q995-S997 PolarHBondContact O-N 3.34Å; Q995-K998 PolarHBondContact O-N 2.89Å; Q995-F999 WeakPolarHBondContact O-CB 3.28Å; Q995-F999 PolarHBondContact O-N 3.39Å
996C92.4Very high83.7Confident1 Ų171.3 Ų71.31%0.00737%0.369CS..Hα-helixtrans-57.4-42.2175.1-66.80000112.2L645 L699 I992 E993 F999 R1000L645-C996 HydrophobicContact CB-CB 4.37Å; L699-C996 HydrophobicContact CD2-CB 4.48Å; I992-C996 PolarHBondContact O-N 3.3Å; I992-C996 PolarHBondContact O-SG 3.47Å; E993-C996 PolarHBondContact O-N 3.07Å; C996-F999 PolarHBondContact O-N 3.18Å; C996-R1000 WeakPolarHBondContact O-CG 3.19Å; C996-R1000 PolarHBondContact O-N 3.25Å
997S87.8Confident83.3Confident58 Ų5874.7 Ų74.741%0.40639%0.386SS..Hα-helixtrans-62.1-46.2177.8-60.40000112.3E993 R994 Q995 F999 R1000 E1001E993-S997 PolarHBondContact O-N 2.9Å; E993-S997 PolarHBondContact O-OG 3.46Å; R994-S997 PolarHBondContact O-N 2.98Å; Q995-S997 VanDerWaalsContact C-N 3.29Å; Q995-S997 PolarHBondContact O-N 3.34Å; S997-F999 PolarHBondContact O-N 3.44Å; S997-R1000 PolarHBondContact O-N 2.95Å; S997-E1001 PolarHBondContact O-N 3.29Å
998K86.5Confident82.8Confident107 Ų10776.6 Ų76.647%0.46539%0.393SS..Hα-helixtrans-62.5-42.5175.6-71.5-178.9176-171.90112.1R994 Q995 R1000 E1001 W1002R994-K998 PolarHBondContact O-N 3.1Å; Q995-K998 PolarHBondContact O-N 2.89Å; K998-R1000 VanDerWaalsContact C-N 3.34Å; K998-R1000 PolarHBondContact O-N 2.91Å; K998-E1001 PolarHBondContact O-N 3.46Å; K998-W1002 PolarHBondContact O-N 3.22Å
999F89.6Confident82.4Confident1 Ų173.4 Ų73.40%0.00438%0.382CS..Hα-helixtrans-62.8-41.2178.8177.1-107.9000112C649 H653 L695 L699 Q995 C996 S997 E1001 W1002 L1003C649-F999 HydrophobicContact CB-CD1 3.94Å; C649-F999 HydrophobicContact CB-CE1 4.2Å; H653-F999 HydrophobicContact CB-CE1 4.36Å; H653-F999 HydrophobicContact CB-CZ 4.26Å; H653-F999 AromaticContact CD2-CZ 3.7Å; L695-F999 HydrophobicContact CD1-CD1 4.34Å; L695-F999 HydrophobicContact CD1-CE1 3.55Å; L695-F999 HydrophobicContact CD1-CE2 4.23Å; L695-F999 HydrophobicContact CD1-CZ 3.48Å; L695-F999 VanDerWaalsContact CD1-CZ 3.48Å; L699-F999 HydrophobicContact CD2-CB 3.5Å; L699-F999 VanDerWaalsContact CD2-CB 3.5Å; L699-F999 HydrophobicContact CD2-CD1 4.08Å; L699-F999 HydrophobicContact CD2-CG 3.81Å; L699-F999 HydrophobicContact CG-CB 4.15Å; L699-F999 HydrophobicContact CG-CD1 4.3Å; L699-F999 HydrophobicContact CG-CD2 4.35Å; L699-F999 HydrophobicContact CG-CG 4.01Å; Q995-F999 WeakPolarHBondContact O-CB 3.28Å; Q995-F999 PolarHBondContact O-N 3.39Å; C996-F999 PolarHBondContact O-N 3.18Å; S997-F999 PolarHBondContact O-N 3.44Å; F999-E1001 VanDerWaalsContact C-N 3.34Å; F999-E1001 PolarHBondContact O-N 3.04Å; F999-W1002 AromaticContact CD2-CE3 3.88Å; F999-W1002 HydrophobicContact CD2-CE3 3.88Å; F999-W1002 HydrophobicContact CD2-CZ3 4.34Å; F999-W1002 AromaticContact CE2-CE3 3.61Å; F999-W1002 HydrophobicContact CE2-CE3 3.61Å; F999-W1002 AromaticContact CE2-CZ3 3.61Å; F999-W1002 HydrophobicContact CE2-CZ3 3.61Å; F999-W1002 HydrophobicContact CZ-CE3 4.45Å; F999-W1002 HydrophobicContact CZ-CZ3 4.28Å; F999-W1002 PolarHBondContact O-N 2.93Å; F999-L1003 HydrophobicContact CE1-CD2 3.95Å; F999-L1003 HydrophobicContact CZ-CD1 4.31Å; F999-L1003 HydrophobicContact CZ-CD2 4.32Å; F999-L1003 VanDerWaalsContact O-CB 3.32Å; F999-L1003 WeakPolarHBondContact O-CB 3.48Å; F999-L1003 PolarHBondContact O-N 3.42Å
1000R85.3Confident82.2Confident47 Ų4769.8 Ų69.818%0.17737%0.368CS..Hα-helixtrans-61.2-41.6174.6-78-179.1156.1-179.4-9.2112.4L645 E648 D652 C996 S997 K998 W1002 L1003 Y1004L645-R1000 VanDerWaalsContact CD2-NH1 3.27Å; E648-R1000 IonicContact OE2-CZ 3.9Å; E648-R1000 IonicContact OE2-NH1 3.03Å; E648-R1000 PolarHBondContact OE2-NH1 3.17Å; E648-R1000 VanDerWaalsContact OE2-NH1 3.16Å; E648-R1000 IonicContact OE2-NH2 3Å; E648-R1000 PolarHBondContact OE2-NH2 3.38Å; D652-R1000 IonicContact OD2-NH2 2.63Å; C996-R1000 WeakPolarHBondContact O-CG 3.19Å; C996-R1000 PolarHBondContact O-N 3.25Å; S997-R1000 PolarHBondContact O-N 2.95Å; K998-R1000 VanDerWaalsContact C-N 3.34Å; K998-R1000 PolarHBondContact O-N 2.91Å; R1000-W1002 VanDerWaalsContact C-N 3.34Å; R1000-W1002 PolarHBondContact O-N 3.45Å; R1000-L1003 PolarHBondContact O-N 3.36Å; R1000-Y1004 HydrophobicContact CB-CD2 4.1Å; R1000-Y1004 HydrophobicContact CB-CE2 3.86Å; R1000-Y1004 HydrophobicContact CG-CE2 3.87Å; R1000-Y1004 WeakPolarHBondContact O-CB 3.29Å; R1000-Y1004 WeakPolarHBondContact O-CD2 3.3Å; R1000-Y1004 PolarHBondContact O-N 3.21Å; R1000-Y1004 VanDerWaalsContact O-N 3.07Å
1001E79.4Confident81.8Confident133 Ų13371 Ų7162%0.62137%0.374SS*.Hα-helixtrans-60.3-45.1174.1-71.9-179.3172.400111.3S997 K998 F999 C1005S997-E1001 PolarHBondContact O-N 3.29Å; K998-E1001 PolarHBondContact O-N 3.46Å; F999-E1001 VanDerWaalsContact C-N 3.34Å; F999-E1001 PolarHBondContact O-N 3.04Å; E1001-C1005 WeakPolarHBondContact O-CB 3.49Å; E1001-C1005 PolarHBondContact O-N 2.93Å
1002W81Confident81.3Confident146 Ų14671.5 Ų71.555%0.55337%0.37SS*.Hα-helixtrans-61.9-47.1175.8175.580.5000112.5K998 F999 R1000 Y1004 G1006K998-W1002 PolarHBondContact O-N 3.22Å; F999-W1002 AromaticContact CD2-CE3 3.88Å; F999-W1002 HydrophobicContact CD2-CE3 3.88Å; F999-W1002 HydrophobicContact CD2-CZ3 4.34Å; F999-W1002 AromaticContact CE2-CE3 3.61Å; F999-W1002 HydrophobicContact CE2-CE3 3.61Å; F999-W1002 AromaticContact CE2-CZ3 3.61Å; F999-W1002 HydrophobicContact CE2-CZ3 3.61Å; F999-W1002 HydrophobicContact CZ-CE3 4.45Å; F999-W1002 HydrophobicContact CZ-CZ3 4.28Å; F999-W1002 PolarHBondContact O-N 2.93Å; R1000-W1002 VanDerWaalsContact C-N 3.34Å; R1000-W1002 PolarHBondContact O-N 3.45Å; W1002-Y1004 VanDerWaalsContact C-N 3.3Å; W1002-Y1004 PolarHBondContact O-N 2.93Å; W1002-G1006 PolarHBondContact O-N 3.28Å
1003L75.1Confident80.7Confident23 Ų2374 Ų7412%0.1238%0.382CS..Hα-helixtrans-65.5-30.4-175.8-170.867000113.1L656 F999 R1000L656-L1003 HydrophobicContact CD1-CD2 4.26Å; F999-L1003 HydrophobicContact CE1-CD2 3.95Å; F999-L1003 HydrophobicContact CZ-CD1 4.31Å; F999-L1003 HydrophobicContact CZ-CD2 4.32Å; F999-L1003 VanDerWaalsContact O-CB 3.32Å; F999-L1003 WeakPolarHBondContact O-CB 3.48Å; F999-L1003 PolarHBondContact O-N 3.42Å; R1000-L1003 PolarHBondContact O-N 3.36Å
1004Y70.1Confident80Confident23 Ų2370.2 Ų70.29%0.0937%0.368CS..Hα-helixtrans-106.4-27.7-174.5-56.1-43.6000114.4Y7 C20 P22 H25 D652 L656 R1000 W1002Y7-Y1004 HydrophobicContact CE1-CD1 4.33Å; C20-Y1004 WeakPolarHBondContact CB-O 3.4Å; C20-Y1004 PolarHBondContact SG-O 3.11Å; C20-Y1004 VanDerWaalsContact SG-O 3.36Å; P22-Y1004 HydrophobicContact CG-CD1 3.4Å; P22-Y1004 HydrophobicContact CG-CE1 3.29Å; P22-Y1004 HydrophobicContact CG-CG 4.3Å; H25-Y1004 AromaticContact CE1-CE2 3.62Å; H25-Y1004 AromaticContact CE1-CZ 3.35Å; H25-Y1004 PolarHBondContact CE1-OH 3.36Å; H25-Y1004 AromaticContact NE2-CZ 3.99Å; H25-Y1004 PolarHBondContact NE2-OH 3.3Å; D652-Y1004 WeakPolarHBondContact CB-OH 3.44Å; D652-Y1004 PolarHBondContact OD2-OH 3.4Å; L656-Y1004 HydrophobicContact CD1-CE1 3.78Å; R1000-Y1004 HydrophobicContact CB-CD2 4.1Å; R1000-Y1004 HydrophobicContact CB-CE2 3.86Å; R1000-Y1004 HydrophobicContact CG-CE2 3.87Å; R1000-Y1004 WeakPolarHBondContact O-CB 3.29Å; R1000-Y1004 WeakPolarHBondContact O-CD2 3.3Å; R1000-Y1004 PolarHBondContact O-N 3.21Å; R1000-Y1004 VanDerWaalsContact O-N 3.07Å; W1002-Y1004 VanDerWaalsContact C-N 3.3Å; W1002-Y1004 PolarHBondContact O-N 2.93Å
1005C61Low79.2Confident91 Ų9162.3 Ų62.362%0.61535%0.346SS*.Hα-helixtrans-99.5-21.9-176.1-61.20000113.9E1001E1001-C1005 WeakPolarHBondContact O-CB 3.49Å; E1001-C1005 PolarHBondContact O-N 2.93Å
1006G51.1Low78.1Confident97 Ų9766.1 Ų66.1100%137%0.369SS*.  trans-57.9016800000110.8W1002W1002-G1006 PolarHBondContact O-N 3.28Å

Retrieved 1,006 of 1,006 residues in 1996.2 ms (Link to these results)

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