A0A087Y3E5_POEFO Loading...

Signal transducer and activator of transcription

AlphaFold DB , UniProt , Accession A0A087Y3E5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 723 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
1M49.5Very low76.9Confident138 Ų13856.8 Ų56.868%0.6831%0.306SS*.  0-17.20-95.2-167-89.500114.5L5 Q38 E41M1-L5 WeakPolarHBondContact O-CB 3.39Å; M1-Q38 HydrophobicContact CG-CB 4.36Å; M1-E41 WeakPolarHBondContact CA-OE2 3.4Å; M1-E41 PolarHBondContact N-OE2 2.96Å
2A62.6Low76.7Confident71 Ų7160.3 Ų60.359%0.58733%0.33SS*.Hα-helixtrans-70.4-38-174.900000113.3E6 E41A2-E6 WeakPolarHBondContact O-CG 3.48Å; A2-E6 PolarHBondContact O-N 3.14Å; A2-E41 PolarHBondContact N-OE2 3.36Å
3Q79.8Confident76.3Confident34 Ų3463.5 Ų63.516%0.15935%0.347CS..Hα-helixtrans-75.6-45.3-172.1-174175.1-34.400112.5L5 E6 M7 E111 L115Q3-L5 VanDerWaalsContact C-N 3.32Å; Q3-L5 PolarHBondContact O-N 3.17Å; Q3-E6 PolarHBondContact O-N 3.46Å; Q3-M7 PolarHBondContact O-N 3.46Å; Q3-E111 PolarHBondContact NE2-OE2 3.18Å; Q3-L115 HydrophobicContact CG-CD1 4.06Å
4W88.9Confident76.7Confident23 Ų2360.5 Ų60.59%0.08733%0.33CS..Hα-helixtrans-63.1-38.4177.7-172.4-128.2000113E6 M7 S8 L11 Y23 I30 R33 H34 C37 E41W4-E6 VanDerWaalsContact C-N 3.32Å; W4-E6 PolarHBondContact O-N 3.38Å; W4-M7 HydrophobicContact CE3-CB 4.14Å; W4-M7 HydrophobicContact CZ3-CB 4.47Å; W4-M7 PolarHBondContact O-N 2.97Å; W4-S8 VanDerWaalsContact O-CB 3.31Å; W4-S8 WeakPolarHBondContact O-CB 3.19Å; W4-S8 PolarHBondContact O-N 3.03Å; W4-S8 PolarHBondContact O-OG 3.24Å; W4-L11 HydrophobicContact CH2-CD1 3.93Å; W4-L11 HydrophobicContact CZ3-CD1 3.99Å; W4-Y23 HydrophobicContact CZ3-CE1 4.38Å; W4-Y23 HydrophobicContact CZ3-CE2 4.47Å; W4-Y23 AromaticContact CZ3-CZ 3.87Å; W4-Y23 WeakPolarHBondContact CZ3-OH 3.48Å; W4-I30 HydrophobicContact CH2-CD1 4.14Å; W4-I30 HydrophobicContact CH2-CG1 3.84Å; W4-R33 HydrophobicContact CD2-CG 4.04Å; W4-R33 HydrophobicContact CE3-CG 3.4Å; W4-R33 VanDerWaalsContact CE3-CZ 3.46Å; W4-R33 HydrophobicContact CH2-CB 4.06Å; W4-R33 HydrophobicContact CH2-CG 3.54Å; W4-R33 HydrophobicContact CZ2-CG 4.15Å; W4-R33 HydrophobicContact CZ3-CB 4.13Å; W4-R33 HydrophobicContact CZ3-CG 3.14Å; W4-H34 HydrophobicContact CZ2-CB 3.81Å; W4-H34 AromaticContact NE1-ND1 3.71Å; W4-C37 HydrophobicContact CB-CB 3.77Å; W4-C37 HydrophobicContact CD2-CB 4.4Å; W4-C37 HydrophobicContact CG-CB 3.58Å; W4-E41 VanDerWaalsContact CB-OE1 3.25Å; W4-E41 WeakPolarHBondContact CB-OE1 3.49Å; W4-E41 PolarHBondContact N-OE1 3.45Å
5L79.6Confident77Confident123 Ų12362 Ų6264%0.64434%0.338SS*.Hα-helixtrans-60.2-45.9178.2-17368.6000110.4M1 Q3 S8 Y9M1-L5 WeakPolarHBondContact O-CB 3.39Å; Q3-L5 VanDerWaalsContact C-N 3.32Å; Q3-L5 PolarHBondContact O-N 3.17Å; L5-S8 PolarHBondContact O-OG 3.08Å; L5-Y9 PolarHBondContact O-N 3.07Å
6E80.4Confident77Confident104 Ų10465.9 Ų65.949%0.48636%0.358SS..Hα-helixtrans-66.2-41.4176.2-69.1-177.8-174.400112.8A2 Q3 W4 Y9 V10 L115A2-E6 WeakPolarHBondContact O-CG 3.48Å; A2-E6 PolarHBondContact O-N 3.14Å; Q3-E6 PolarHBondContact O-N 3.46Å; W4-E6 VanDerWaalsContact C-N 3.32Å; W4-E6 PolarHBondContact O-N 3.38Å; E6-Y9 PolarHBondContact O-N 3.36Å; E6-V10 WeakPolarHBondContact O-CG2 3.48Å; E6-V10 PolarHBondContact O-N 2.7Å; E6-L115 HydrophobicContact CB-CD1 4.34Å; E6-L115 HydrophobicContact CB-CD2 3.8Å
7M86Confident77.3Confident0 Ų070.8 Ų70.80%038%0.378CS..Hα-helixtrans-66.2-40.9177.1-80.4-57.8-53.900112.3Q3 W4 Y9 V10 L11 L22 E111 I114 L115Q3-M7 PolarHBondContact O-N 3.46Å; W4-M7 HydrophobicContact CE3-CB 4.14Å; W4-M7 HydrophobicContact CZ3-CB 4.47Å; W4-M7 PolarHBondContact O-N 2.97Å; M7-Y9 PolarHBondContact O-N 3.19Å; M7-V10 WeakPolarHBondContact O-CA 3.43Å; M7-V10 WeakPolarHBondContact O-CB 3.46Å; M7-V10 PolarHBondContact O-N 3.4Å; M7-L11 HydrophobicContact CE-CD2 4.36Å; M7-L11 HydrophobicContact CE-CG 4.43Å; M7-L11 VanDerWaalsContact O-CG 3.25Å; M7-L11 WeakPolarHBondContact O-CG 3.34Å; M7-L11 PolarHBondContact O-N 3.09Å; M7-L22 HydrophobicContact CE-CD2 3.81Å; M7-E111 HydrophobicContact CE-CB 4.4Å; M7-E111 HydrophobicContact CE-CG 4.01Å; M7-E111 HydrophobicContact CG-CB 3.87Å; M7-E111 HydrophobicContact CG-CG 3.81Å; M7-E111 HydrophobicContact SD-CB 3.87Å; M7-E111 HydrophobicContact SD-CG 4.04Å; M7-I114 HydrophobicContact CE-CD1 4.4Å; M7-I114 HydrophobicContact CE-CG2 4.48Å; M7-I114 HydrophobicContact SD-CG2 4.42Å; M7-L115 HydrophobicContact CG-CD1 4.13Å; M7-L115 HydrophobicContact CG-CD2 4.47Å; M7-L115 HydrophobicContact CG-CG 4.36Å; M7-L115 HydrophobicContact SD-CD1 4.17Å; M7-L115 HydrophobicContact SD-CD2 3.94Å; M7-L115 HydrophobicContact SD-CG 3.77Å
8S81.6Confident77.7Confident46 Ų4674.1 Ų74.132%0.32238%0.384SS..Hα-helixtrans-57.1-36.9178.172.50000111.8W4 L5W4-S8 VanDerWaalsContact O-CB 3.31Å; W4-S8 WeakPolarHBondContact O-CB 3.19Å; W4-S8 PolarHBondContact O-N 3.03Å; W4-S8 PolarHBondContact O-OG 3.24Å; L5-S8 PolarHBondContact O-OG 3.08Å
9Y74.2Confident78.3Confident50 Ų5071.6 Ų71.620%0.19637%0.371CS..Hα-helixtrans-67.1-43.7172.1177.8-84.5000112.2L5 E6 M7 L11 T12L5-Y9 PolarHBondContact O-N 3.07Å; E6-Y9 PolarHBondContact O-N 3.36Å; M7-Y9 PolarHBondContact O-N 3.19Å; Y9-L11 VanDerWaalsContact C-N 3.3Å; Y9-L11 PolarHBondContact O-N 3.33Å; Y9-T12 PolarHBondContact O-N 2.94Å; Y9-T12 PolarHBondContact O-OG1 3.23Å
10V80.4Confident78.8Confident19 Ų1972.1 Ų72.112%0.11537%0.374CS..Hα-helixtrans-62.4-40.2179174.40000111.3E6 M7 T12 N13 M14 I114 L115 K118E6-V10 WeakPolarHBondContact O-CG2 3.48Å; E6-V10 PolarHBondContact O-N 2.7Å; M7-V10 WeakPolarHBondContact O-CA 3.43Å; M7-V10 WeakPolarHBondContact O-CB 3.46Å; M7-V10 PolarHBondContact O-N 3.4Å; V10-T12 PolarHBondContact O-N 3.11Å; V10-N13 PolarHBondContact O-N 3.01Å; V10-N13 VanDerWaalsContact O-N 3.14Å; V10-M14 HydrophobicContact CG1-CE 3.93Å; V10-I114 HydrophobicContact CG1-CG2 3.72Å; V10-L115 HydrophobicContact CG2-CD2 4.07Å; V10-K118 HydrophobicContact CG2-CD 3.76Å
11L83.1Confident79.4Confident17 Ų1773.4 Ų73.49%0.08939%0.386CS..Hα-helixtrans-62.2-28.2-179.9-64.7168.6000112.5W4 M7 Y9 N13 M14 I19 L22 Y23 I30W4-L11 HydrophobicContact CH2-CD1 3.93Å; W4-L11 HydrophobicContact CZ3-CD1 3.99Å; M7-L11 HydrophobicContact CE-CD2 4.36Å; M7-L11 HydrophobicContact CE-CG 4.43Å; M7-L11 VanDerWaalsContact O-CG 3.25Å; M7-L11 WeakPolarHBondContact O-CG 3.34Å; M7-L11 PolarHBondContact O-N 3.09Å; Y9-L11 VanDerWaalsContact C-N 3.3Å; Y9-L11 PolarHBondContact O-N 3.33Å; L11-N13 PolarHBondContact O-N 3.46Å; L11-M14 HydrophobicContact CD2-SD 4.11Å; L11-M14 PolarHBondContact O-N 3.45Å; L11-M14 VanDerWaalsContact O-N 3.15Å; L11-I19 HydrophobicContact CB-CD1 4.47Å; L11-I19 HydrophobicContact CD2-CD1 4.46Å; L11-I19 HydrophobicContact CD2-CG1 3.92Å; L11-I19 HydrophobicContact CD2-CG2 4.46Å; L11-L22 HydrophobicContact CD2-CD2 4.43Å; L11-Y23 HydrophobicContact CD1-CE2 3.95Å; L11-Y23 HydrophobicContact CD2-CE2 3.94Å; L11-I30 HydrophobicContact CD1-CD1 4.03Å
12T73.6Confident81.4Confident98 Ų9867.1 Ų67.160%0.60136%0.355SS*.THydrogen-bonded Turntrans-63.8-19.8176.464.80000114.8Y9 V10Y9-T12 PolarHBondContact O-N 2.94Å; Y9-T12 PolarHBondContact O-OG1 3.23Å; V10-T12 PolarHBondContact O-N 3.11Å
13N72.7Confident82.9Confident102 Ų10263.9 Ų63.955%0.54533%0.328SS..THydrogen-bonded Turntrans-114.414.3178.8-52-76.3000111.7V10 L11V10-N13 PolarHBondContact O-N 3.01Å; V10-N13 VanDerWaalsContact O-N 3.14Å; L11-N13 PolarHBondContact O-N 3.46Å
14M81.2Confident83.4Confident22 Ų2263.5 Ų63.511%0.10833%0.328CS..SBendtrans-105.4141.4178.5-167.9171.8-71.500108.8V10 L11 R18 I19 I114V10-M14 HydrophobicContact CG1-CE 3.93Å; L11-M14 HydrophobicContact CD2-SD 4.11Å; L11-M14 PolarHBondContact O-N 3.45Å; L11-M14 VanDerWaalsContact O-N 3.15Å; M14-R18 HydrophobicContact CG-CB 3.52Å; M14-R18 HydrophobicContact CG-CG 4.5Å; M14-R18 HydrophobicContact SD-CB 3.7Å; M14-I19 HydrophobicContact CB-CD1 4.32Å; M14-I19 HydrophobicContact CB-CG1 3.99Å; M14-I19 HydrophobicContact CG-CG1 3.94Å; M14-I19 HydrophobicContact SD-CG1 4.15Å; M14-I114 HydrophobicContact CE-CD1 4.34Å; M14-I114 HydrophobicContact CE-CG2 4.32Å
15D80.7Confident83.3Confident83 Ų8365.8 Ų65.844%0.44435%0.346SS..  trans-72.9150.8175.257.2-39.9000111.8E17 R18 I19D15-E17 PolarHBondContact O-N 2.76Å; D15-E17 VanDerWaalsContact O-N 3.13Å; D15-R18 PolarHBondContact O-N 2.91Å; D15-R18 VanDerWaalsContact OD1-CB 3.31Å; D15-R18 WeakPolarHBondContact OD1-CB 3.25Å; D15-R18 WeakPolarHBondContact OD1-CD 3.44Å; D15-R18 WeakPolarHBondContact OD1-CG 3.4Å; D15-I19 WeakPolarHBondContact O-CG1 3.46Å; D15-I19 PolarHBondContact O-N 3.34Å
16D76.9Confident83.6Confident124 Ų12466 Ų6666%0.66335%0.348SS*.Hα-helixtrans-57.5-31.8-174.6-67.9-29.2000112.8I19 N20D16-I19 PolarHBondContact O-N 3.33Å; D16-N20 VanDerWaalsContact O-CB 3.25Å; D16-N20 WeakPolarHBondContact O-CB 3.45Å; D16-N20 PolarHBondContact O-N 2.91Å; D16-N20 PolarHBondContact O-ND2 3.45Å
17E83.3Confident83.8Confident150 Ų15063 Ų6370%0.70134%0.337SS*.Hα-helixtrans-65.4-43.6177.6-170.1176.3177.400111.9D15 N20 T21D15-E17 PolarHBondContact O-N 2.76Å; D15-E17 VanDerWaalsContact O-N 3.13Å; E17-N20 PolarHBondContact O-N 3.3Å; E17-T21 WeakPolarHBondContact O-CB 3.49Å; E17-T21 PolarHBondContact O-N 3.2Å; E17-T21 PolarHBondContact O-OG1 3.18Å
18R84.8Confident84.1Confident130 Ų13063.1 Ų63.149%0.49134%0.337SS..Hα-helixtrans-69.6-37.5175.6-71.9-177.973.9-167.53.2111.9M14 D15 T21 L22M14-R18 HydrophobicContact CG-CB 3.52Å; M14-R18 HydrophobicContact CG-CG 4.5Å; M14-R18 HydrophobicContact SD-CB 3.7Å; D15-R18 PolarHBondContact O-N 2.91Å; D15-R18 VanDerWaalsContact OD1-CB 3.31Å; D15-R18 WeakPolarHBondContact OD1-CB 3.25Å; D15-R18 WeakPolarHBondContact OD1-CD 3.44Å; D15-R18 WeakPolarHBondContact OD1-CG 3.4Å; R18-T21 PolarHBondContact O-N 2.92Å; R18-L22 PolarHBondContact O-N 3.31Å
19I88.4Confident84.7Confident27 Ų2761.7 Ų61.714%0.13833%0.326CS..Hα-helixtrans-62.2-47.6174.8-62.2177.2000110.2L11 M14 D15 D16 T21 L22 Y23 I30L11-I19 HydrophobicContact CB-CD1 4.47Å; L11-I19 HydrophobicContact CD2-CD1 4.46Å; L11-I19 HydrophobicContact CD2-CG1 3.92Å; L11-I19 HydrophobicContact CD2-CG2 4.46Å; M14-I19 HydrophobicContact CB-CD1 4.32Å; M14-I19 HydrophobicContact CB-CG1 3.99Å; M14-I19 HydrophobicContact CG-CG1 3.94Å; M14-I19 HydrophobicContact SD-CG1 4.15Å; D15-I19 WeakPolarHBondContact O-CG1 3.46Å; D15-I19 PolarHBondContact O-N 3.34Å; D16-I19 PolarHBondContact O-N 3.33Å; I19-T21 VanDerWaalsContact C-N 3.25Å; I19-T21 PolarHBondContact O-N 2.93Å; I19-L22 PolarHBondContact O-N 3.02Å; I19-L22 VanDerWaalsContact O-N 3.17Å; I19-Y23 HydrophobicContact CG2-CD2 4.32Å; I19-Y23 PolarHBondContact O-N 3.41Å; I19-I30 HydrophobicContact CG2-CD1 4.1Å
20N89Confident85.6Confident81 Ų8161.8 Ų61.843%0.43333%0.33SS..Hα-helixtrans-66.9-26.3177.9-71.2-31.6000112.6D16 E17 Y23 P24D16-N20 VanDerWaalsContact O-CB 3.25Å; D16-N20 WeakPolarHBondContact O-CB 3.45Å; D16-N20 PolarHBondContact O-N 2.91Å; D16-N20 PolarHBondContact O-ND2 3.45Å; E17-N20 PolarHBondContact O-N 3.3Å; N20-Y23 CarbonylContact O-C 3.58Å; N20-P24 WeakPolarHBondContact O-CA 3.22Å
21T89.9Confident86.2Confident99 Ų9962.6 Ų62.661%0.60733%0.332SS*.Hα-helixtrans-70.8-41.4172.1-590000111.4E17 R18 I19E17-T21 WeakPolarHBondContact O-CB 3.49Å; E17-T21 PolarHBondContact O-N 3.2Å; E17-T21 PolarHBondContact O-OG1 3.18Å; R18-T21 PolarHBondContact O-N 2.92Å; I19-T21 VanDerWaalsContact C-N 3.25Å; I19-T21 PolarHBondContact O-N 2.93Å
22L92.3Very high86.7Confident7 Ų761.8 Ų61.84%0.03733%0.328CS..Hα-helixtrans-74.2-40179.9-175.759.8000112.4M7 L11 R18 I19 P24 I107 Q110 I114M7-L22 HydrophobicContact CE-CD2 3.81Å; L11-L22 HydrophobicContact CD2-CD2 4.43Å; R18-L22 PolarHBondContact O-N 3.31Å; I19-L22 PolarHBondContact O-N 3.02Å; I19-L22 VanDerWaalsContact O-N 3.17Å; L22-P24 WeakPolarHBondContact O-CD 3.33Å; L22-I107 HydrophobicContact CD1-CG2 4.48Å; L22-Q110 HydrophobicContact CD1-CB 3.61Å; L22-Q110 VanDerWaalsContact CD1-OE1 3.26Å; L22-I114 HydrophobicContact CD1-CD1 4.49Å; L22-I114 HydrophobicContact CD2-CD1 3.92Å
23Y94.4Very high87.7Confident3 Ų357.1 Ų57.11%0.01230%0.3CS..SBendtrans-122.681.7176.6-51.6-77.4000110.2W4 L11 I19 N20 P25 F28 I30 R33 I107 E111W4-Y23 HydrophobicContact CZ3-CE1 4.38Å; W4-Y23 HydrophobicContact CZ3-CE2 4.47Å; W4-Y23 AromaticContact CZ3-CZ 3.87Å; W4-Y23 WeakPolarHBondContact CZ3-OH 3.48Å; L11-Y23 HydrophobicContact CD1-CE2 3.95Å; L11-Y23 HydrophobicContact CD2-CE2 3.94Å; I19-Y23 HydrophobicContact CG2-CD2 4.32Å; I19-Y23 PolarHBondContact O-N 3.41Å; N20-Y23 CarbonylContact O-C 3.58Å; Y23-P25 WeakPolarHBondContact O-CD 3.39Å; Y23-F28 CarbonylContact C-O 3.41Å; Y23-F28 HydrophobicContact CD1-CD1 4.17Å; Y23-F28 HydrophobicContact CD1-CE1 4.32Å; Y23-I30 HydrophobicContact CD2-CB 4.35Å; Y23-I30 HydrophobicContact CD2-CD1 3.85Å; Y23-I30 HydrophobicContact CD2-CG1 3.94Å; Y23-I30 HydrophobicContact CE2-CD1 4.16Å; Y23-I30 HydrophobicContact CE2-CG1 4.35Å; Y23-I30 HydrophobicContact CG-CB 4.1Å; Y23-I30 HydrophobicContact CG-CD1 4.43Å; Y23-I30 HydrophobicContact CG-CG1 4.03Å; Y23-R33 HydrophobicContact CD1-CB 4.19Å; Y23-R33 HydrophobicContact CD1-CG 4.42Å; Y23-R33 HydrophobicContact CE1-CB 3.95Å; Y23-R33 HydrophobicContact CE1-CG 3.68Å; Y23-I107 HydrophobicContact CD1-CD1 4.42Å; Y23-I107 HydrophobicContact CD1-CG2 4.18Å; Y23-I107 HydrophobicContact CE1-CG2 3.6Å; Y23-E111 PolarHBondContact OH-OE1 3.49Å
24P89.8Confident88.6Confident25 Ų2556.8 Ų56.816%0.16229%0.294CS..  trans-65.6120.1-174.9-2133.6000111.1N20 L22 D26 T27 F28N20-P24 WeakPolarHBondContact O-CA 3.22Å; L22-P24 WeakPolarHBondContact O-CD 3.33Å; P24-D26 PolarHBondContact O-N 2.88Å; P24-T27 WeakPolarHBondContact CB-OG1 3.38Å; P24-T27 PolarHBondContact O-N 3.48Å; P24-F28 CarbonylContact O-C 3.58Å; P24-F28 VanDerWaalsContact O-C 3.26Å; P24-F28 PolarHBondContact O-N 2.88Å
25P86.8Confident89.1Confident71 Ų7158.6 Ų58.646%0.46130%0.3SS..THydrogen-bonded Turntrans-55.2-33-172-28.134.5000114.1Y23 P29Y23-P25 WeakPolarHBondContact O-CD 3.39Å; P25-P29 WeakPolarHBondContact O-CD 3.47Å; P25-P29 VanDerWaalsContact O-CG 3.31Å; P25-P29 WeakPolarHBondContact O-CG 3.2Å
26D85.1Confident89.8Confident129 Ų12955 Ų5569%0.6928%0.281SS*.THydrogen-bonded Turntrans-77.6-27.5-177.8-60.2-39.3000113.2P24 R95P24-D26 PolarHBondContact O-N 2.88Å; D26-R95 PolarHBondContact O-NH2 2.95Å
27T86.2Confident90.5Very high41 Ų4150.2 Ų50.225%0.25226%0.257SS..THydrogen-bonded Turntrans-113.9-39.5-16873.40000113.8P24 R95 K103P24-T27 WeakPolarHBondContact CB-OG1 3.38Å; P24-T27 PolarHBondContact O-N 3.48Å; T27-R95 VanDerWaalsContact CB-NH1 3.29Å; T27-K103 WeakPolarHBondContact OG1-CE 3.45Å
28F92.5Very high90.7Very high1 Ų147.6 Ų47.60%0.00425%0.245CC..SBendtrans-150.477.2178.6-166.1-92.9000108.5Y23 P24 I32 R33 L40 F100 K103 I104 I107Y23-F28 CarbonylContact C-O 3.41Å; Y23-F28 HydrophobicContact CD1-CD1 4.17Å; Y23-F28 HydrophobicContact CD1-CE1 4.32Å; P24-F28 CarbonylContact O-C 3.58Å; P24-F28 VanDerWaalsContact O-C 3.26Å; P24-F28 PolarHBondContact O-N 2.88Å; F28-I32 HydrophobicContact CD2-CD1 4.15Å; F28-I32 HydrophobicContact CD2-CG2 4.43Å; F28-I32 HydrophobicContact CE1-CB 4.45Å; F28-I32 HydrophobicContact CE2-CB 4.21Å; F28-I32 HydrophobicContact CE2-CD1 4.38Å; F28-I32 HydrophobicContact CE2-CG2 3.66Å; F28-I32 HydrophobicContact CZ-CB 4.11Å; F28-I32 HydrophobicContact CZ-CG2 3.72Å; F28-R33 HydrophobicContact CE1-CB 3.98Å; F28-L40 HydrophobicContact CZ-CD1 4.35Å; F28-F100 HydrophobicContact CD2-CD2 4.33Å; F28-F100 HydrophobicContact CD2-CE2 4.02Å; F28-F100 HydrophobicContact CE2-CD2 4.39Å; F28-F100 AromaticContact CE2-CE2 3.73Å; F28-F100 HydrophobicContact CE2-CE2 3.73Å; F28-F100 HydrophobicContact CE2-CZ 4.42Å; F28-K103 HydrophobicContact CB-CG 4.07Å; F28-K103 HydrophobicContact CG-CG 4.49Å; F28-I104 HydrophobicContact CD2-CG1 4.27Å; F28-I104 HydrophobicContact CE2-CD1 4.02Å; F28-I104 HydrophobicContact CE2-CG1 3.44Å; F28-I104 VanDerWaalsContact CE2-CG1 3.44Å; F28-I104 HydrophobicContact CZ-CG1 3.81Å; F28-I107 HydrophobicContact CB-CD1 4.03Å; F28-I107 HydrophobicContact CD1-CD1 3.26Å; F28-I107 HydrophobicContact CE1-CD1 3.75Å; F28-I107 HydrophobicContact CG-CD1 3.7Å
29P92.4Very high91.2Very high16 Ų1643 Ų4310%0.10423%0.228CC..  trans-53.4143.1175.1-12.210.8000112P25 E31 I32 I88P25-P29 WeakPolarHBondContact O-CD 3.47Å; P25-P29 VanDerWaalsContact O-CG 3.31Å; P25-P29 WeakPolarHBondContact O-CG 3.2Å; P29-E31 WeakPolarHBondContact CB-OE2 3.42Å; P29-E31 PolarHBondContact O-N 3.4Å; P29-E31 VanDerWaalsContact O-N 3.08Å; P29-I32 HydrophobicContact CG-CD1 4.25Å; P29-I32 WeakPolarHBondContact O-CB 3.38Å; P29-I32 PolarHBondContact O-N 2.97Å; P29-I88 HydrophobicContact CB-CD1 4.12Å; P29-I88 HydrophobicContact CG-CD1 4.13Å; P29-I88 HydrophobicContact CG-CG1 3.99Å; P29-I88 HydrophobicContact CG-CG2 4.12Å
30I93.7Very high91.5Very high53 Ų5341.8 Ų41.827%0.27222%0.221SC..Hα-helixtrans-59.1-23.9-178.7-166.7169.6000112.6W4 L11 I19 Y23 I32 R33 H34W4-I30 HydrophobicContact CH2-CD1 4.14Å; W4-I30 HydrophobicContact CH2-CG1 3.84Å; L11-I30 HydrophobicContact CD1-CD1 4.03Å; I19-I30 HydrophobicContact CG2-CD1 4.1Å; Y23-I30 HydrophobicContact CD2-CB 4.35Å; Y23-I30 HydrophobicContact CD2-CD1 3.85Å; Y23-I30 HydrophobicContact CD2-CG1 3.94Å; Y23-I30 HydrophobicContact CE2-CD1 4.16Å; Y23-I30 HydrophobicContact CE2-CG1 4.35Å; Y23-I30 HydrophobicContact CG-CB 4.1Å; Y23-I30 HydrophobicContact CG-CD1 4.43Å; Y23-I30 HydrophobicContact CG-CG1 4.03Å; I30-I32 VanDerWaalsContact C-N 3.28Å; I30-I32 PolarHBondContact O-N 2.87Å; I30-R33 WeakPolarHBondContact O-CB 3.28Å; I30-R33 PolarHBondContact O-N 3.06Å; I30-R33 VanDerWaalsContact O-N 3.13Å; I30-H34 WeakPolarHBondContact O-CB 3.31Å; I30-H34 PolarHBondContact O-N 2.87Å
31E93.5Very high91.6Very high35 Ų3540.1 Ų40.116%0.16421%0.211CC..Hα-helixtrans-59.3-38.5175.5-63.777.3-175.900111.6P29 R33 H34 Y35 K84 L85 I88P29-E31 WeakPolarHBondContact CB-OE2 3.42Å; P29-E31 PolarHBondContact O-N 3.4Å; P29-E31 VanDerWaalsContact O-N 3.08Å; E31-R33 VanDerWaalsContact C-N 3.32Å; E31-R33 PolarHBondContact O-N 3Å; E31-H34 PolarHBondContact O-N 3.01Å; E31-Y35 HydrophobicContact CB-CD2 4.16Å; E31-Y35 HydrophobicContact CB-CE2 4.22Å; E31-Y35 WeakPolarHBondContact O-CD2 3.45Å; E31-Y35 PolarHBondContact O-N 2.97Å; E31-K84 WeakPolarHBondContact OE1-CE 3.49Å; E31-K84 IonicContact OE1-NZ 2.67Å; E31-K84 PolarHBondContact OE1-NZ 3.35Å; E31-L85 HydrophobicContact CB-CD2 4.22Å; E31-I88 HydrophobicContact CB-CD1 3.93Å; E31-I88 HydrophobicContact CG-CD1 4.2Å
32I94Very high91.6Very high1 Ų141.4 Ų41.41%0.00521%0.21CC..Hα-helixtrans-60.5-47.6175.7-57.4176.1000109.2F28 P29 I30 H34 L36 L70 I88 M92F28-I32 HydrophobicContact CD2-CD1 4.15Å; F28-I32 HydrophobicContact CD2-CG2 4.43Å; F28-I32 HydrophobicContact CE1-CB 4.45Å; F28-I32 HydrophobicContact CE2-CB 4.21Å; F28-I32 HydrophobicContact CE2-CD1 4.38Å; F28-I32 HydrophobicContact CE2-CG2 3.66Å; F28-I32 HydrophobicContact CZ-CB 4.11Å; F28-I32 HydrophobicContact CZ-CG2 3.72Å; P29-I32 HydrophobicContact CG-CD1 4.25Å; P29-I32 WeakPolarHBondContact O-CB 3.38Å; P29-I32 PolarHBondContact O-N 2.97Å; I30-I32 VanDerWaalsContact C-N 3.28Å; I30-I32 PolarHBondContact O-N 2.87Å; I32-H34 VanDerWaalsContact C-N 3.34Å; I32-H34 PolarHBondContact O-N 3.3Å; I32-L36 HydrophobicContact CG2-CD1 4.21Å; I32-L36 VanDerWaalsContact O-CB 3.31Å; I32-L36 WeakPolarHBondContact O-CB 3.42Å; I32-L36 PolarHBondContact O-N 3.36Å; I32-L36 VanDerWaalsContact O-N 3.1Å; I32-L70 HydrophobicContact CG1-CD1 4.17Å; I32-L70 HydrophobicContact CG2-CD1 4.38Å; I32-I88 HydrophobicContact CD1-CG2 3.81Å; I32-I88 HydrophobicContact CG1-CG2 3.68Å; I32-M92 HydrophobicContact CD1-CE 4.34Å; I32-M92 HydrophobicContact CD1-CG 3.98Å; I32-M92 HydrophobicContact CD1-SD 3.52Å; I32-M92 VanDerWaalsContact CD1-SD 3.52Å; I32-M92 HydrophobicContact CG1-SD 4.08Å
33R93.9Very high91.6Very high0 Ų044.7 Ų44.70%022%0.224CC..Hα-helixtrans-63.7-39.5178.6-174.863.5-177.595.6-6.4112.3W4 Y23 F28 I30 E31 C37 E41 E111W4-R33 HydrophobicContact CD2-CG 4.04Å; W4-R33 HydrophobicContact CE3-CG 3.4Å; W4-R33 VanDerWaalsContact CE3-CZ 3.46Å; W4-R33 HydrophobicContact CH2-CB 4.06Å; W4-R33 HydrophobicContact CH2-CG 3.54Å; W4-R33 HydrophobicContact CZ2-CG 4.15Å; W4-R33 HydrophobicContact CZ3-CB 4.13Å; W4-R33 HydrophobicContact CZ3-CG 3.14Å; Y23-R33 HydrophobicContact CD1-CB 4.19Å; Y23-R33 HydrophobicContact CD1-CG 4.42Å; Y23-R33 HydrophobicContact CE1-CB 3.95Å; Y23-R33 HydrophobicContact CE1-CG 3.68Å; F28-R33 HydrophobicContact CE1-CB 3.98Å; I30-R33 WeakPolarHBondContact O-CB 3.28Å; I30-R33 PolarHBondContact O-N 3.06Å; I30-R33 VanDerWaalsContact O-N 3.13Å; E31-R33 VanDerWaalsContact C-N 3.32Å; E31-R33 PolarHBondContact O-N 3Å; R33-C37 VanDerWaalsContact NH1-CB 3.33Å; R33-C37 VanDerWaalsContact O-CA 3.28Å; R33-C37 WeakPolarHBondContact O-CA 3.5Å; R33-C37 WeakPolarHBondContact O-CB 3.31Å; R33-C37 PolarHBondContact O-N 3.21Å; R33-E41 IonicContact CZ-OE1 2.8Å; R33-E41 IonicContact NH1-OE1 3.09Å; R33-E41 PolarHBondContact NH1-OE1 2.86Å; R33-E41 IonicContact NH2-OE1 3.92Å; R33-E41 PolarHBondContact NH2-OE1 3.44Å; R33-E111 IonicContact CZ-OE1 3.9Å; R33-E111 IonicContact CZ-OE2 2.87Å; R33-E111 IonicContact NE-OE1 3.55Å; R33-E111 PolarHBondContact NE-OE1 3.47Å; R33-E111 IonicContact NE-OE2 3.34Å; R33-E111 IonicContact NH2-OE1 2.71Å; R33-E111 IonicContact NH2-OE2 2.88Å; R33-E111 PolarHBondContact NH2-OE2 3.26Å
34H91.9Very high91.3Very high94 Ų9450.3 Ų50.344%0.43525%0.254SS..Hα-helixtrans-68.2-56-177.4-179.877.4000112W4 I30 E31 I32 C37W4-H34 HydrophobicContact CZ2-CB 3.81Å; W4-H34 AromaticContact NE1-ND1 3.71Å; I30-H34 WeakPolarHBondContact O-CB 3.31Å; I30-H34 PolarHBondContact O-N 2.87Å; E31-H34 PolarHBondContact O-N 3.01Å; I32-H34 VanDerWaalsContact C-N 3.34Å; I32-H34 PolarHBondContact O-N 3.3Å; H34-C37 PolarHBondContact O-SG 2.92Å; H34-C37 VanDerWaalsContact O-SG 3.33Å
35Y92.6Very high91.5Very high60 Ų6049.4 Ų49.424%0.23525%0.248CC..Hα-helixtrans-77.1-32.6-173.8-69.8-67.3000113E31 V73 E81 L85E31-Y35 HydrophobicContact CB-CD2 4.16Å; E31-Y35 HydrophobicContact CB-CE2 4.22Å; E31-Y35 WeakPolarHBondContact O-CD2 3.45Å; E31-Y35 PolarHBondContact O-N 2.97Å; Y35-V73 HydrophobicContact CD1-CG1 3.59Å; Y35-V73 HydrophobicContact CE1-CG1 4.08Å; Y35-V73 HydrophobicContact CG-CG1 3.91Å; Y35-E81 WeakPolarHBondContact CE2-OE1 3.48Å; Y35-E81 WeakPolarHBondContact OH-CG 3.34Å; Y35-E81 PolarHBondContact OH-OE1 3.35Å; Y35-L85 HydrophobicContact CD2-CD1 4.39Å; Y35-L85 HydrophobicContact CD2-CD2 3.74Å; Y35-L85 HydrophobicContact CE2-CD1 4.13Å; Y35-L85 HydrophobicContact CE2-CD2 3.78Å; Y35-L85 HydrophobicContact CE2-CG 4.44Å
36L94.1Very high91.5Very high7 Ų749.7 Ų49.74%0.03724%0.243CC..THydrogen-bonded Turntrans-97.915.3179.1-54.9-173.7000113.4I32 Q38 W39 L40 A66 L69 L70I32-L36 HydrophobicContact CG2-CD1 4.21Å; I32-L36 VanDerWaalsContact O-CB 3.31Å; I32-L36 WeakPolarHBondContact O-CB 3.42Å; I32-L36 PolarHBondContact O-N 3.36Å; I32-L36 VanDerWaalsContact O-N 3.1Å; L36-Q38 VanDerWaalsContact C-N 3.29Å; L36-Q38 PolarHBondContact O-N 3.49Å; L36-Q38 VanDerWaalsContact O-N 3.15Å; L36-W39 PolarHBondContact O-N 3.49Å; L36-W39 VanDerWaalsContact O-N 3.15Å; L36-L40 HydrophobicContact CB-CD1 3.86Å; L36-L40 HydrophobicContact CB-CG 3.85Å; L36-L40 WeakPolarHBondContact O-CB 3.42Å; L36-L40 VanDerWaalsContact O-CG 3.31Å; L36-L40 WeakPolarHBondContact O-CG 3.33Å; L36-L40 PolarHBondContact O-N 3.38Å; L36-A66 HydrophobicContact CD1-CB 3.81Å; L36-L69 HydrophobicContact CD2-CB 3.55Å; L36-L69 HydrophobicContact CD2-CD1 4.41Å; L36-L70 HydrophobicContact CD1-CD1 3.97Å; L36-L70 HydrophobicContact CD1-CD2 4.43Å; L36-L70 HydrophobicContact CD1-CG 3.83Å; L36-L70 HydrophobicContact CD2-CD2 4.25Å; L36-L70 HydrophobicContact CD2-CG 4.04Å; L36-L70 HydrophobicContact CG-CD1 4.47Å; L36-L70 HydrophobicContact CG-CD2 4.03Å; L36-L70 HydrophobicContact CG-CG 3.91Å
37C91.9Very high91.4Very high24 Ų2444.8 Ų44.816%0.16222%0.223CC..Hα-helixtrans-52.7-42.7-170.757.20000114.1W4 R33 H34 E41W4-C37 HydrophobicContact CB-CB 3.77Å; W4-C37 HydrophobicContact CD2-CB 4.4Å; W4-C37 HydrophobicContact CG-CB 3.58Å; R33-C37 VanDerWaalsContact NH1-CB 3.33Å; R33-C37 VanDerWaalsContact O-CA 3.28Å; R33-C37 WeakPolarHBondContact O-CA 3.5Å; R33-C37 WeakPolarHBondContact O-CB 3.31Å; R33-C37 PolarHBondContact O-N 3.21Å; H34-C37 PolarHBondContact O-SG 2.92Å; H34-C37 VanDerWaalsContact O-SG 3.33Å; C37-E41 WeakPolarHBondContact O-CB 3.47Å; C37-E41 VanDerWaalsContact O-CG 3.25Å; C37-E41 WeakPolarHBondContact O-CG 3.3Å; C37-E41 PolarHBondContact O-N 3.43Å
38Q87.6Confident91.6Very high95 Ų9543.3 Ų43.344%0.44421%0.213SC..Hα-helixtrans-67.2-52.1179-179.9177.8-10.700111.4M1 L36 L40 E41 E42M1-Q38 HydrophobicContact CG-CB 4.36Å; L36-Q38 VanDerWaalsContact C-N 3.29Å; L36-Q38 PolarHBondContact O-N 3.49Å; L36-Q38 VanDerWaalsContact O-N 3.15Å; Q38-L40 PolarHBondContact O-N 3.12Å; Q38-E41 PolarHBondContact O-N 3.27Å; Q38-E42 VanDerWaalsContact CG-OE1 3.31Å; Q38-E42 WeakPolarHBondContact CG-OE1 3.41Å; Q38-E42 PolarHBondContact NE2-OE1 3.41Å; Q38-E42 VanDerWaalsContact NE2-OE1 3.09Å; Q38-E42 WeakPolarHBondContact O-CG 3.38Å; Q38-E42 PolarHBondContact O-N 2.95Å
39W94.8Very high91.3Very high35 Ų3544.5 Ų44.513%0.13322%0.222CC..Hα-helixtrans-62.6-43-178178.590.1000111.8L36 E41 E42 K43 W45 L62 D65 A66 L69L36-W39 PolarHBondContact O-N 3.49Å; L36-W39 VanDerWaalsContact O-N 3.15Å; W39-E41 VanDerWaalsContact C-N 3.33Å; W39-E41 PolarHBondContact O-N 3.48Å; W39-E42 PolarHBondContact O-N 3.43Å; W39-K43 HydrophobicContact CD2-CG 4.49Å; W39-K43 VanDerWaalsContact CE2-CE 3.42Å; W39-K43 HydrophobicContact CH2-CG 4.48Å; W39-K43 HydrophobicContact CZ2-CG 4.25Å; W39-K43 WeakPolarHBondContact O-CG 3.5Å; W39-W45 HydrophobicContact CH2-CH2 4.06Å; W39-W45 HydrophobicContact CH2-CZ2 4.19Å; W39-W45 HydrophobicContact CZ3-CH2 4.06Å; W39-W45 AromaticContact CZ3-CZ2 3.89Å; W39-W45 HydrophobicContact CZ3-CZ2 3.89Å; W39-L62 HydrophobicContact CH2-CB 4.29Å; W39-L62 HydrophobicContact CH2-CD2 4.1Å; W39-L62 VanDerWaalsContact CH2-O 3.29Å; W39-L62 WeakPolarHBondContact CH2-O 3.49Å; W39-L62 HydrophobicContact CZ2-CD2 3.96Å; W39-D65 HydrophobicContact CH2-CB 4.24Å; W39-D65 HydrophobicContact CZ2-CB 3.56Å; W39-A66 HydrophobicContact CH2-CB 4.04Å; W39-A66 HydrophobicContact CZ3-CB 3.86Å; W39-L69 HydrophobicContact CB-CD1 4.09Å; W39-L69 VanDerWaalsContact CD1-CD1 3.47Å; W39-L69 HydrophobicContact CD2-CD1 3.76Å; W39-L69 HydrophobicContact CG-CD1 3.52Å
40L94.7Very high90.8Very high0 Ų048.2 Ų48.20%025%0.246CC..Hα-helixtrans-60.9-41.6178-70.7169.8000111.5F28 L36 Q38 E42 K43 W45 I104 F108F28-L40 HydrophobicContact CZ-CD1 4.35Å; L36-L40 HydrophobicContact CB-CD1 3.86Å; L36-L40 HydrophobicContact CB-CG 3.85Å; L36-L40 WeakPolarHBondContact O-CB 3.42Å; L36-L40 VanDerWaalsContact O-CG 3.31Å; L36-L40 WeakPolarHBondContact O-CG 3.33Å; L36-L40 PolarHBondContact O-N 3.38Å; Q38-L40 PolarHBondContact O-N 3.12Å; L40-E42 VanDerWaalsContact C-N 3.28Å; L40-E42 PolarHBondContact O-N 2.86Å; L40-K43 PolarHBondContact O-N 2.87Å; L40-W45 HydrophobicContact CD2-CH2 4.46Å; L40-W45 HydrophobicContact CD2-CZ2 3.78Å; L40-W45 PolarHBondContact O-NE1 2.97Å; L40-I104 HydrophobicContact CD2-CD1 3.68Å; L40-I104 HydrophobicContact CD2-CG1 4.4Å; L40-I104 HydrophobicContact CD2-CG2 4.44Å; L40-F108 HydrophobicContact CB-CZ 3.89Å
41E91.6Very high90.1Very high47 Ų4753 Ų5322%0.2227%0.272CS..Hα-helixtrans-72-19.1-179.6-73.9173.6-161.400113.7M1 A2 W4 R33 C37 Q38 W39 F108M1-E41 WeakPolarHBondContact CA-OE2 3.4Å; M1-E41 PolarHBondContact N-OE2 2.96Å; A2-E41 PolarHBondContact N-OE2 3.36Å; W4-E41 VanDerWaalsContact CB-OE1 3.25Å; W4-E41 WeakPolarHBondContact CB-OE1 3.49Å; W4-E41 PolarHBondContact N-OE1 3.45Å; R33-E41 IonicContact CZ-OE1 2.8Å; R33-E41 IonicContact NH1-OE1 3.09Å; R33-E41 PolarHBondContact NH1-OE1 2.86Å; R33-E41 IonicContact NH2-OE1 3.92Å; R33-E41 PolarHBondContact NH2-OE1 3.44Å; C37-E41 WeakPolarHBondContact O-CB 3.47Å; C37-E41 VanDerWaalsContact O-CG 3.25Å; C37-E41 WeakPolarHBondContact O-CG 3.3Å; C37-E41 PolarHBondContact O-N 3.43Å; Q38-E41 PolarHBondContact O-N 3.27Å; W39-E41 VanDerWaalsContact C-N 3.33Å; W39-E41 PolarHBondContact O-N 3.48Å; E41-F108 HydrophobicContact CG-CZ 4.17Å
42E90.3Very high89.6Confident126 Ų12654.7 Ų54.759%0.58928%0.28SS*.Hα-helixtrans-82.4-15.4177.9-73.4171.3-17100113.3Q38 W39 L40Q38-E42 VanDerWaalsContact CG-OE1 3.31Å; Q38-E42 WeakPolarHBondContact CG-OE1 3.41Å; Q38-E42 PolarHBondContact NE2-OE1 3.41Å; Q38-E42 VanDerWaalsContact NE2-OE1 3.09Å; Q38-E42 WeakPolarHBondContact O-CG 3.38Å; Q38-E42 PolarHBondContact O-N 2.95Å; W39-E42 PolarHBondContact O-N 3.43Å; L40-E42 VanDerWaalsContact C-N 3.28Å; L40-E42 PolarHBondContact O-N 2.86Å
43K91.3Very high88.8Confident76 Ų7659.1 Ų59.133%0.3331%0.311SS..SBendtrans-95.1149-179-53.9-55178-178.80112W39 L40 W45 L62W39-K43 HydrophobicContact CD2-CG 4.49Å; W39-K43 VanDerWaalsContact CE2-CE 3.42Å; W39-K43 HydrophobicContact CH2-CG 4.48Å; W39-K43 HydrophobicContact CZ2-CG 4.25Å; W39-K43 WeakPolarHBondContact O-CG 3.5Å; L40-K43 PolarHBondContact O-N 2.87Å; K43-W45 HydrophobicContact CB-CZ2 3.76Å; K43-W45 HydrophobicContact CG-CZ2 4.04Å; K43-W45 VanDerWaalsContact O-CD1 3.28Å; K43-W45 PolarHBondContact O-N 2.84Å; K43-L62 HydrophobicContact CD-CD2 4.16Å; K43-L62 HydrophobicContact CG-CD2 4.18Å
44D89.1Confident88.3Confident120 Ų12066.5 Ų66.564%0.64235%0.35SS*.  trans-88.3104.3173.7-178.714.3000111.1E46D44-E46 PolarHBondContact OD1-N 3.39Å; D44-E46 VanDerWaalsContact OD1-N 3.08Å
45W92.8Very high88.1Confident6 Ų665.2 Ų65.22%0.02334%0.343CS..  trans-94.7-13.8178.2-54.799000113.6W39 L40 K43 G47 F48 L62 F100 A101 I104 R105 F108W39-W45 HydrophobicContact CH2-CH2 4.06Å; W39-W45 HydrophobicContact CH2-CZ2 4.19Å; W39-W45 HydrophobicContact CZ3-CH2 4.06Å; W39-W45 AromaticContact CZ3-CZ2 3.89Å; W39-W45 HydrophobicContact CZ3-CZ2 3.89Å; L40-W45 HydrophobicContact CD2-CH2 4.46Å; L40-W45 HydrophobicContact CD2-CZ2 3.78Å; L40-W45 PolarHBondContact O-NE1 2.97Å; K43-W45 HydrophobicContact CB-CZ2 3.76Å; K43-W45 HydrophobicContact CG-CZ2 4.04Å; K43-W45 VanDerWaalsContact O-CD1 3.28Å; K43-W45 PolarHBondContact O-N 2.84Å; W45-G47 PolarHBondContact O-N 3.48Å; W45-F48 HydrophobicContact CE3-CD2 4.28Å; W45-F48 HydrophobicContact CE3-CE2 4.16Å; W45-F48 PolarHBondContact O-N 3.23Å; W45-L62 HydrophobicContact CE3-CD1 4.48Å; W45-L62 HydrophobicContact CH2-CB 4.07Å; W45-L62 HydrophobicContact CH2-CD1 4.02Å; W45-L62 HydrophobicContact CH2-CG 4.46Å; W45-L62 HydrophobicContact CZ3-CB 4.29Å; W45-L62 HydrophobicContact CZ3-CD1 3.79Å; W45-F100 HydrophobicContact CH2-CE1 4.42Å; W45-A101 HydrophobicContact CE3-CB 4.06Å; W45-A101 HydrophobicContact CZ3-CB 4.03Å; W45-I104 HydrophobicContact CB-CG2 4.41Å; W45-I104 HydrophobicContact CD2-CB 4.08Å; W45-I104 HydrophobicContact CD2-CD1 4.37Å; W45-I104 HydrophobicContact CD2-CG2 3.64Å; W45-I104 HydrophobicContact CE3-CB 4.23Å; W45-I104 HydrophobicContact CE3-CD1 4.14Å; W45-I104 HydrophobicContact CE3-CG2 4.29Å; W45-I104 HydrophobicContact CG-CB 4.36Å; W45-I104 HydrophobicContact CG-CG2 3.66Å; W45-I104 HydrophobicContact CH2-CD1 3.66Å; W45-I104 HydrophobicContact CZ2-CD1 3.92Å; W45-I104 HydrophobicContact CZ2-CG2 4.41Å; W45-I104 HydrophobicContact CZ3-CD1 3.78Å; W45-R105 HydrophobicContact CB-CB 4.05Å; W45-R105 WeakPolarHBondContact O-CB 3.45Å; W45-R105 WeakPolarHBondContact O-CD 3.5Å; W45-R105 WeakPolarHBondContact O-CG 3.49Å; W45-F108 AromaticContact CD1-CD2 3.89Å; W45-F108 AromaticContact CD1-CE2 3.58Å; W45-F108 AromaticContact NE1-CE2 3.89Å
46E88.3Confident87.9Confident78 Ų7865.4 Ų65.436%0.36435%0.346SS..THydrogen-bonded Turntrans-64.3-29.2-174.3-73.8-65.8165.200112D44 F48 R109D44-E46 PolarHBondContact OD1-N 3.39Å; D44-E46 VanDerWaalsContact OD1-N 3.08Å; E46-F48 VanDerWaalsContact C-N 3.3Å; E46-F48 PolarHBondContact O-N 3.46Å; E46-R109 IonicContact OE1-NE 3.11Å; E46-R109 IonicContact OE2-CZ 2.72Å; E46-R109 VanDerWaalsContact OE2-CZ 3.22Å; E46-R109 IonicContact OE2-NE 3.04Å; E46-R109 PolarHBondContact OE2-NE 3.47Å; E46-R109 IonicContact OE2-NH2 3.76Å; E46-R109 PolarHBondContact OE2-NH2 3.35Å
47G83.1Confident87.8Confident26 Ų2669.4 Ų69.427%0.26837%0.373SS..THydrogen-bonded Turntrans-71.7-8.818000000116W45 Q52 K55W45-G47 PolarHBondContact O-N 3.48Å; G47-Q52 PolarHBondContact O-OE1 3.38Å; G47-K55 PolarHBondContact O-NZ 3.15Å
48F89.9Confident87.8Confident10 Ų1072.9 Ų72.94%0.04439%0.389CS..  trans-91.7135.5-178-67.5-84.8000111.9W45 E46 K55 I58 A59 L62 M98 A101 V102 R105W45-F48 HydrophobicContact CE3-CD2 4.28Å; W45-F48 HydrophobicContact CE3-CE2 4.16Å; W45-F48 PolarHBondContact O-N 3.23Å; E46-F48 VanDerWaalsContact C-N 3.3Å; E46-F48 PolarHBondContact O-N 3.46Å; F48-K55 HydrophobicContact CD1-CB 4.24Å; F48-K55 HydrophobicContact CD1-CD 4.47Å; F48-K55 HydrophobicContact CE1-CB 4.15Å; F48-I58 HydrophobicContact CE1-CG2 4.47Å; F48-I58 HydrophobicContact CZ-CG2 4.07Å; F48-A59 HydrophobicContact CD1-CB 4.27Å; F48-A59 HydrophobicContact CE1-CB 3.81Å; F48-L62 HydrophobicContact CE2-CD1 3.95Å; F48-L62 HydrophobicContact CZ-CD1 3.65Å; F48-M98 HydrophobicContact CD1-CE 4.29Å; F48-M98 HydrophobicContact CD1-SD 3.76Å; F48-M98 HydrophobicContact CE1-SD 4.34Å; F48-A101 HydrophobicContact CB-CB 4.06Å; F48-A101 HydrophobicContact CD1-CB 3.73Å; F48-A101 HydrophobicContact CD2-CB 3.92Å; F48-A101 HydrophobicContact CE1-CB 4.13Å; F48-A101 HydrophobicContact CE2-CB 4.29Å; F48-A101 HydrophobicContact CG-CB 3.62Å; F48-A101 HydrophobicContact CZ-CB 4.39Å; F48-V102 HydrophobicContact CB-CG2 4.21Å; F48-R105 WeakPolarHBondContact O-CD 3.47Å; F48-R105 VanDerWaalsContact O-CZ 3.32Å; F48-R105 PolarHBondContact O-NH1 3.33Å
49S85.9Confident88Confident26 Ų2668.4 Ų68.418%0.18237%0.368CS..  trans-141.9153.4172.463.60000111.8D51 Q52 M98S49-D51 PolarHBondContact O-N 2.96Å; S49-Q52 PolarHBondContact O-N 3.47Å; S49-Q52 VanDerWaalsContact O-N 3.12Å; S49-Q52 WeakPolarHBondContact OG-CG 3.35Å; S49-Q52 PolarHBondContact OG-OE1 3.32Å; S49-M98 WeakPolarHBondContact O-CE 3.29Å
50P81.1Confident88Confident94 Ų9470.1 Ų70.161%0.6138%0.377SS*.THydrogen-bonded Turntrans-53.4-31.6-177.6-25.834.3000114.6V102P50-V102 HydrophobicContact CG-CG1 4.34Å; P50-V102 HydrophobicContact CG-CG2 4.5Å
51D80.6Confident87.9Confident153 Ų15372.5 Ų72.582%0.81840%0.397SS*.THydrogen-bonded Turntrans-89.93.9-173.4-48.2-56000114.2S49 S53S49-D51 PolarHBondContact O-N 2.96Å; D51-S53 PolarHBondContact O-N 3.14Å
52Q82.1Confident88.1Confident71 Ų7171.3 Ų71.333%0.33239%0.392SS..  trans-10174-175.2-79.4176.6-9.900112.5G47 S49 D54 K55 M98G47-Q52 PolarHBondContact O-OE1 3.38Å; S49-Q52 PolarHBondContact O-N 3.47Å; S49-Q52 VanDerWaalsContact O-N 3.12Å; S49-Q52 WeakPolarHBondContact OG-CG 3.35Å; S49-Q52 PolarHBondContact OG-OE1 3.32Å; Q52-D54 PolarHBondContact O-N 2.68Å; Q52-K55 PolarHBondContact O-N 3.46Å; Q52-K55 VanDerWaalsContact O-N 3.12Å; Q52-M98 HydrophobicContact CB-CE 4.35Å
53S76.8Confident88.3Confident94 Ų9465.4 Ų65.466%0.65736%0.364SS*.G310 helixtrans-56-32177.6-1660000113.2D51 K55 E56D51-S53 PolarHBondContact O-N 3.14Å; S53-K55 PolarHBondContact O-N 3.09Å; S53-K55 VanDerWaalsContact O-N 3.09Å; S53-E56 WeakPolarHBondContact O-CB 3.37Å; S53-E56 PolarHBondContact O-N 3.28Å; S53-E56 VanDerWaalsContact O-N 3.13Å
54D84Confident88.5Confident155 Ų15564.8 Ų64.883%0.82937%0.365SS*.G310 helixtrans-63.6-17.8-179.7-56.5-26.9000113.7Q52Q52-D54 PolarHBondContact O-N 2.68Å
55K86.8Confident88.8Confident66 Ų6662.4 Ų62.429%0.28735%0.352SS..G310 helixtrans-98.7-1.1179.6-65.2-168.4-177.7179.70114.1G47 F48 Q52 S53 P57 I58 A59 M98G47-K55 PolarHBondContact O-NZ 3.15Å; F48-K55 HydrophobicContact CD1-CB 4.24Å; F48-K55 HydrophobicContact CD1-CD 4.47Å; F48-K55 HydrophobicContact CE1-CB 4.15Å; Q52-K55 PolarHBondContact O-N 3.46Å; Q52-K55 VanDerWaalsContact O-N 3.12Å; S53-K55 PolarHBondContact O-N 3.09Å; S53-K55 VanDerWaalsContact O-N 3.09Å; K55-P57 VanDerWaalsContact C-CD 3.45Å; K55-I58 WeakPolarHBondContact O-CB 3.38Å; K55-I58 PolarHBondContact O-N 3.42Å; K55-I58 VanDerWaalsContact O-N 3.09Å; K55-A59 PolarHBondContact O-N 3.01Å; K55-M98 HydrophobicContact CB-SD 4.22Å
56E89.9Confident88.9Confident65 Ų6562.1 Ų62.130%0.30435%0.351SS..Hα-helixtrans-53.9-44177.3-16974.8-134.500112.8S53 I58 A59 Q60 A97 M98S53-E56 WeakPolarHBondContact O-CB 3.37Å; S53-E56 PolarHBondContact O-N 3.28Å; S53-E56 VanDerWaalsContact O-N 3.13Å; E56-I58 VanDerWaalsContact C-N 3.26Å; E56-I58 PolarHBondContact O-N 3.23Å; E56-A59 PolarHBondContact O-N 3.35Å; E56-Q60 WeakPolarHBondContact O-CB 3.47Å; E56-Q60 PolarHBondContact O-N 3.44Å; E56-A97 PolarHBondContact OE1-N 3.45Å; E56-M98 HydrophobicContact CB-CG 4.25Å; E56-M98 VanDerWaalsContact CD-CG 3.43Å; E56-M98 HydrophobicContact CG-CG 4.43Å; E56-M98 PolarHBondContact OE1-N 3.24Å; E56-M98 WeakPolarHBondContact OE2-CB 3.29Å; E56-M98 WeakPolarHBondContact OE2-CG 3.45Å
57P91.5Very high89.3Confident91 Ų9159 Ų5959%0.59134%0.337SS*.Hα-helixtrans-63.6-33.4179.1-21.133.9000113K55 A61K55-P57 VanDerWaalsContact C-CD 3.45Å; P57-A61 PolarHBondContact O-N 3.45Å; P57-A61 VanDerWaalsContact O-N 3.1Å
58I91.9Very high89.8Confident97 Ų9762.8 Ų62.850%0.49735%0.351SS..Hα-helixtrans-73.4-43.5178.6-56.3174.9000109.7F48 K55 E56 Q60 A61 L62F48-I58 HydrophobicContact CE1-CG2 4.47Å; F48-I58 HydrophobicContact CZ-CG2 4.07Å; K55-I58 WeakPolarHBondContact O-CB 3.38Å; K55-I58 PolarHBondContact O-N 3.42Å; K55-I58 VanDerWaalsContact O-N 3.09Å; E56-I58 VanDerWaalsContact C-N 3.26Å; E56-I58 PolarHBondContact O-N 3.23Å; I58-Q60 VanDerWaalsContact C-N 3.3Å; I58-Q60 PolarHBondContact O-N 3.4Å; I58-A61 PolarHBondContact O-N 3.42Å; I58-L62 HydrophobicContact CG2-CD1 4.47Å; I58-L62 WeakPolarHBondContact O-CG 3.22Å; I58-L62 PolarHBondContact O-N 3.48Å; I58-L62 VanDerWaalsContact O-N 3.1Å
59A91.9Very high90.1Very high0 Ų065.5 Ų65.50%037%0.365CS..Hα-helixtrans-61-41174.700000111.3F48 K55 E56 L62 L63 A97 M98 A101F48-A59 HydrophobicContact CD1-CB 4.27Å; F48-A59 HydrophobicContact CE1-CB 3.81Å; K55-A59 PolarHBondContact O-N 3.01Å; E56-A59 PolarHBondContact O-N 3.35Å; A59-L62 PolarHBondContact O-N 3.1Å; A59-L63 WeakPolarHBondContact O-CB 3.46Å; A59-L63 PolarHBondContact O-N 3.45Å; A59-A97 HydrophobicContact CB-CB 3.97Å; A59-M98 HydrophobicContact CB-CG 4.16Å; A59-M98 HydrophobicContact CB-SD 3.7Å; A59-A101 HydrophobicContact CB-CB 4.19Å
60Q93.8Very high90.5Very high71 Ų7164.3 Ų64.333%0.33236%0.357SS..Hα-helixtrans-64.1-40.7177.8-171.664.561.800112.2E56 I58 L63 N64 A97E56-Q60 WeakPolarHBondContact O-CB 3.47Å; E56-Q60 PolarHBondContact O-N 3.44Å; I58-Q60 VanDerWaalsContact C-N 3.3Å; I58-Q60 PolarHBondContact O-N 3.4Å; Q60-L63 PolarHBondContact O-N 3.32Å; Q60-N64 PolarHBondContact NE2-OD1 2.97Å; Q60-N64 VanDerWaalsContact NE2-OD1 3.1Å; Q60-N64 PolarHBondContact O-N 3.1Å; Q60-N64 PolarHBondContact O-ND2 2.67Å; Q60-N64 PolarHBondContact O-OD1 3.38Å; Q60-A97 VanDerWaalsContact CA-CB 3.48Å; Q60-A97 HydrophobicContact CB-CB 4.02Å
61A94Very high91.1Very high50 Ų5063.5 Ų63.541%0.41335%0.345SS..Hα-helixtrans-61.4-45.3174.500000111.5P57 I58 L63 N64 D65P57-A61 PolarHBondContact O-N 3.45Å; P57-A61 VanDerWaalsContact O-N 3.1Å; I58-A61 PolarHBondContact O-N 3.42Å; A61-L63 PolarHBondContact O-N 3.49Å; A61-N64 PolarHBondContact O-N 3.29Å; A61-D65 PolarHBondContact O-N 3.28Å
62L95.1Very high91.7Very high22 Ų2259 Ų5912%0.11533%0.326CS..Hα-helixtrans-65.2-37.9177.7-69.3171.6000112.8W39 K43 W45 F48 I58 A59 D65 A66W39-L62 HydrophobicContact CH2-CB 4.29Å; W39-L62 HydrophobicContact CH2-CD2 4.1Å; W39-L62 VanDerWaalsContact CH2-O 3.29Å; W39-L62 WeakPolarHBondContact CH2-O 3.49Å; W39-L62 HydrophobicContact CZ2-CD2 3.96Å; K43-L62 HydrophobicContact CD-CD2 4.16Å; K43-L62 HydrophobicContact CG-CD2 4.18Å; W45-L62 HydrophobicContact CE3-CD1 4.48Å; W45-L62 HydrophobicContact CH2-CB 4.07Å; W45-L62 HydrophobicContact CH2-CD1 4.02Å; W45-L62 HydrophobicContact CH2-CG 4.46Å; W45-L62 HydrophobicContact CZ3-CB 4.29Å; W45-L62 HydrophobicContact CZ3-CD1 3.79Å; F48-L62 HydrophobicContact CE2-CD1 3.95Å; F48-L62 HydrophobicContact CZ-CD1 3.65Å; I58-L62 HydrophobicContact CG2-CD1 4.47Å; I58-L62 WeakPolarHBondContact O-CG 3.22Å; I58-L62 PolarHBondContact O-N 3.48Å; I58-L62 VanDerWaalsContact O-N 3.1Å; A59-L62 PolarHBondContact O-N 3.1Å; L62-D65 PolarHBondContact O-N 3.09Å; L62-A66 WeakPolarHBondContact O-CB 3.5Å; L62-A66 PolarHBondContact O-N 3.29Å
63L95Very high92.2Very high2 Ų257.1 Ų57.11%0.0132%0.319CS..Hα-helixtrans-62.6-44.9174.7178.262000111.1A59 Q60 A61 A66 V67 M92 M93 A97 F100A59-L63 WeakPolarHBondContact O-CB 3.46Å; A59-L63 PolarHBondContact O-N 3.45Å; Q60-L63 PolarHBondContact O-N 3.32Å; A61-L63 PolarHBondContact O-N 3.49Å; L63-A66 PolarHBondContact O-N 3.19Å; L63-V67 WeakPolarHBondContact O-CG2 3.22Å; L63-V67 PolarHBondContact O-N 3.39Å; L63-M92 HydrophobicContact CD1-CB 4.15Å; L63-M92 HydrophobicContact CD1-CE 3.81Å; L63-M93 HydrophobicContact CD2-SD 4.38Å; L63-M93 HydrophobicContact CG-SD 4.31Å; L63-A97 HydrophobicContact CB-CB 4.23Å; L63-A97 HydrophobicContact CD2-CB 3.93Å; L63-F100 HydrophobicContact CB-CD1 4.22Å; L63-F100 HydrophobicContact CD1-CB 4.27Å; L63-F100 HydrophobicContact CD1-CD1 3.74Å; L63-F100 HydrophobicContact CD1-CD2 4.15Å; L63-F100 HydrophobicContact CD1-CE1 4.01Å; L63-F100 HydrophobicContact CD1-CE2 4.41Å; L63-F100 HydrophobicContact CD1-CG 3.8Å; L63-F100 HydrophobicContact CD1-CZ 4.33Å
64N95.3Very high92.9Very high64 Ų6452.7 Ų52.734%0.34229%0.288SS..Hα-helixtrans-62.8-43.1177.8-66.6-12.6000111.5Q60 A61 A66 V67 L68Q60-N64 PolarHBondContact NE2-OD1 2.97Å; Q60-N64 VanDerWaalsContact NE2-OD1 3.1Å; Q60-N64 PolarHBondContact O-N 3.1Å; Q60-N64 PolarHBondContact O-ND2 2.67Å; Q60-N64 PolarHBondContact O-OD1 3.38Å; A61-N64 PolarHBondContact O-N 3.29Å; N64-A66 PolarHBondContact O-N 3.41Å; N64-V67 PolarHBondContact O-N 3.46Å; N64-L68 WeakPolarHBondContact O-CG 3.4Å; N64-L68 PolarHBondContact O-N 3.19Å
65D95.6Very high93.1Very high69 Ų6951.9 Ų51.937%0.36928%0.279SS..Hα-helixtrans-59.8-45175.4-75.2-8.4000111.5W39 A61 L62 V67 L68 L69W39-D65 HydrophobicContact CH2-CB 4.24Å; W39-D65 HydrophobicContact CZ2-CB 3.56Å; A61-D65 PolarHBondContact O-N 3.28Å; L62-D65 PolarHBondContact O-N 3.09Å; D65-V67 VanDerWaalsContact C-N 3.33Å; D65-V67 PolarHBondContact O-N 3.13Å; D65-L68 PolarHBondContact O-N 3.5Å; D65-L69 WeakPolarHBondContact O-CB 3.37Å; D65-L69 VanDerWaalsContact O-CG 3.3Å; D65-L69 WeakPolarHBondContact O-CG 3.33Å; D65-L69 PolarHBondContact O-N 3.14Å
66A94.9Very high93Very high0 Ų056 Ų560%030%0.299CS..Hα-helixtrans-62-40.6178.100000112L36 W39 L62 L63 N64 L70 M92 F100L36-A66 HydrophobicContact CD1-CB 3.81Å; W39-A66 HydrophobicContact CH2-CB 4.04Å; W39-A66 HydrophobicContact CZ3-CB 3.86Å; L62-A66 WeakPolarHBondContact O-CB 3.5Å; L62-A66 PolarHBondContact O-N 3.29Å; L63-A66 PolarHBondContact O-N 3.19Å; N64-A66 PolarHBondContact O-N 3.41Å; A66-L70 WeakPolarHBondContact O-CB 3.44Å; A66-L70 WeakPolarHBondContact O-CG 3.48Å; A66-L70 PolarHBondContact O-N 3.03Å; A66-M92 HydrophobicContact CB-CE 4.06Å; A66-F100 HydrophobicContact CB-CE1 4.18Å; A66-F100 HydrophobicContact CB-CZ 3.96Å
67V95.4Very high92.8Very high13 Ų1356.1 Ų56.18%0.07930%0.3CS..Hα-helixtrans-63.6-49.3176.3165.20000111.1L63 N64 D65 L69 L70 E71 T89 M92 M93L63-V67 WeakPolarHBondContact O-CG2 3.22Å; L63-V67 PolarHBondContact O-N 3.39Å; N64-V67 PolarHBondContact O-N 3.46Å; D65-V67 VanDerWaalsContact C-N 3.33Å; D65-V67 PolarHBondContact O-N 3.13Å; V67-L69 VanDerWaalsContact C-N 3.3Å; V67-L69 PolarHBondContact O-N 3.47Å; V67-L70 PolarHBondContact O-N 3.32Å; V67-E71 HydrophobicContact CG1-CG 4.39Å; V67-E71 WeakPolarHBondContact O-CG 3.5Å; V67-E71 PolarHBondContact O-N 2.91Å; V67-T89 HydrophobicContact CG1-CG2 4.32Å; V67-M92 HydrophobicContact CG2-CB 4.28Å; V67-M92 HydrophobicContact CG2-CE 4.2Å; V67-M93 HydrophobicContact CG2-CG 4.02Å; V67-M93 HydrophobicContact CG2-SD 3.81Å
68L95.5Very high92.3Very high106 Ų10656.5 Ų56.556%0.55530%0.297SS*.Hα-helixtrans-60-40.7179.1-72.7172.6000112.3N64 D65 E71 S72N64-L68 WeakPolarHBondContact O-CG 3.4Å; N64-L68 PolarHBondContact O-N 3.19Å; D65-L68 PolarHBondContact O-N 3.5Å; L68-E71 PolarHBondContact O-N 3.48Å; L68-S72 WeakPolarHBondContact O-CB 3.15Å; L68-S72 PolarHBondContact O-N 3.14Å
69L95.1Very high91.9Very high66 Ų6657.8 Ų57.835%0.34630%0.304SS..Hα-helixtrans-65.5-42.9176.7-71.6169.4000111.8L36 W39 D65 V67 S72 V73L36-L69 HydrophobicContact CD2-CB 3.55Å; L36-L69 HydrophobicContact CD2-CD1 4.41Å; W39-L69 HydrophobicContact CB-CD1 4.09Å; W39-L69 VanDerWaalsContact CD1-CD1 3.47Å; W39-L69 HydrophobicContact CD2-CD1 3.76Å; W39-L69 HydrophobicContact CG-CD1 3.52Å; D65-L69 WeakPolarHBondContact O-CB 3.37Å; D65-L69 VanDerWaalsContact O-CG 3.3Å; D65-L69 WeakPolarHBondContact O-CG 3.33Å; D65-L69 PolarHBondContact O-N 3.14Å; V67-L69 VanDerWaalsContact C-N 3.3Å; V67-L69 PolarHBondContact O-N 3.47Å; L69-S72 PolarHBondContact O-N 3.38Å; L69-V73 VanDerWaalsContact O-CG2 3.31Å; L69-V73 WeakPolarHBondContact O-CG2 3.44Å; L69-V73 PolarHBondContact O-N 3.24Å
70L94Very high91.3Very high1 Ų162.9 Ų62.91%0.00533%0.334CS..Hα-helixtrans-66-38.1176.8-80.5166.5000112.5I32 L36 A66 V67 V73 A74 L85 T89 M92I32-L70 HydrophobicContact CG1-CD1 4.17Å; I32-L70 HydrophobicContact CG2-CD1 4.38Å; L36-L70 HydrophobicContact CD1-CD1 3.97Å; L36-L70 HydrophobicContact CD1-CD2 4.43Å; L36-L70 HydrophobicContact CD1-CG 3.83Å; L36-L70 HydrophobicContact CD2-CD2 4.25Å; L36-L70 HydrophobicContact CD2-CG 4.04Å; L36-L70 HydrophobicContact CG-CD1 4.47Å; L36-L70 HydrophobicContact CG-CD2 4.03Å; L36-L70 HydrophobicContact CG-CG 3.91Å; A66-L70 WeakPolarHBondContact O-CB 3.44Å; A66-L70 WeakPolarHBondContact O-CG 3.48Å; A66-L70 PolarHBondContact O-N 3.03Å; V67-L70 PolarHBondContact O-N 3.32Å; L70-V73 PolarHBondContact O-N 2.96Å; L70-A74 WeakPolarHBondContact O-CB 3.44Å; L70-A74 PolarHBondContact O-N 2.95Å; L70-L85 HydrophobicContact CD2-CD2 4.12Å; L70-T89 HydrophobicContact CB-CG2 3.56Å; L70-T89 HydrophobicContact CD1-CG2 4.26Å; L70-M92 HydrophobicContact CD1-CE 4.27Å; L70-M92 HydrophobicContact CD1-SD 3.63Å
71E93.8Very high90.7Very high77 Ų7761 Ų6136%0.3633%0.326SS..Hα-helixtrans-63.5-43174.7-70.9-178.3160.700111.2V67 L68 V73 A74 E75 L86 T89V67-E71 HydrophobicContact CG1-CG 4.39Å; V67-E71 WeakPolarHBondContact O-CG 3.5Å; V67-E71 PolarHBondContact O-N 2.91Å; L68-E71 PolarHBondContact O-N 3.48Å; E71-V73 PolarHBondContact O-N 3.32Å; E71-A74 WeakPolarHBondContact O-CB 3.22Å; E71-A74 PolarHBondContact O-N 3Å; E71-E75 PolarHBondContact O-N 3.2Å; E71-L86 HydrophobicContact CG-CD2 4.19Å; E71-T89 HydrophobicContact CG-CG2 3.99Å
72S94.1Very high90.4Very high60 Ų6063.5 Ų63.542%0.4233%0.325SS..Hα-helixtrans-62.6-41174.7-176.70000112.5L68 L69 A74 E75L68-S72 WeakPolarHBondContact O-CB 3.15Å; L68-S72 PolarHBondContact O-N 3.14Å; L69-S72 PolarHBondContact O-N 3.38Å; S72-A74 VanDerWaalsContact C-N 3.35Å; S72-E75 PolarHBondContact O-N 3.29Å
73V91.3Very high90Very high31 Ų3168.3 Ų68.319%0.18835%0.348CS..Hα-helixtrans-63.5-42.4173.7171.20000110.6Y35 L69 L70 E71 E75 Q76 Q77 L85Y35-V73 HydrophobicContact CD1-CG1 3.59Å; Y35-V73 HydrophobicContact CE1-CG1 4.08Å; Y35-V73 HydrophobicContact CG-CG1 3.91Å; L69-V73 VanDerWaalsContact O-CG2 3.31Å; L69-V73 WeakPolarHBondContact O-CG2 3.44Å; L69-V73 PolarHBondContact O-N 3.24Å; L70-V73 PolarHBondContact O-N 2.96Å; E71-V73 PolarHBondContact O-N 3.32Å; V73-E75 VanDerWaalsContact C-N 3.26Å; V73-E75 PolarHBondContact O-N 3.44Å; V73-Q76 WeakPolarHBondContact O-CB 3.42Å; V73-Q76 PolarHBondContact O-N 3.37Å; V73-Q77 HydrophobicContact CG1-CG 4.34Å; V73-Q77 WeakPolarHBondContact O-CG 3.48Å; V73-Q77 PolarHBondContact O-N 3.46Å; V73-L85 HydrophobicContact CG1-CD1 4.13Å
74A91.6Very high89.8Confident1 Ų172.4 Ų72.41%0.00837%0.366CS..Hα-helixtrans-60.6-33.7-178.700000112.9L70 E71 S72 Q76 Q77 R82 L85 L86L70-A74 WeakPolarHBondContact O-CB 3.44Å; L70-A74 PolarHBondContact O-N 2.95Å; E71-A74 WeakPolarHBondContact O-CB 3.22Å; E71-A74 PolarHBondContact O-N 3Å; S72-A74 VanDerWaalsContact C-N 3.35Å; A74-Q76 PolarHBondContact O-N 2.89Å; A74-Q77 PolarHBondContact O-N 3.06Å; A74-R82 HydrophobicContact CB-CG 4.22Å; A74-R82 WeakPolarHBondContact O-CB 3.33Å; A74-R82 WeakPolarHBondContact O-CD 3.25Å; A74-R82 VanDerWaalsContact O-CG 3.22Å; A74-R82 WeakPolarHBondContact O-CG 3.25Å; A74-L85 HydrophobicContact CB-CB 3.71Å; A74-L85 HydrophobicContact CB-CD1 3.99Å; A74-L86 HydrophobicContact CB-CD2 4.48Å; A74-L86 HydrophobicContact CB-CG 4.39Å
75E88.5Confident89.7Confident137 Ų13769.4 Ų69.464%0.6435%0.349SS*.Hα-helixtrans-64.2-23.7175.4-69.3-175.1160.500113.5E71 S72 V73E71-E75 PolarHBondContact O-N 3.2Å; S72-E75 PolarHBondContact O-N 3.29Å; V73-E75 VanDerWaalsContact C-N 3.26Å; V73-E75 PolarHBondContact O-N 3.44Å
76Q85.4Confident89.5Confident153 Ų15368.6 Ų68.672%0.71535%0.345SS*.THydrogen-bonded Turntrans-94-4.6-179.4-57.8177.55.300112.9V73 A74V73-Q76 WeakPolarHBondContact O-CB 3.42Å; V73-Q76 PolarHBondContact O-N 3.37Å; A74-Q76 PolarHBondContact O-N 2.89Å
77Q85.6Confident89.4Confident67 Ų6773.2 Ų73.231%0.31337%0.366SS..SBendtrans-98.8165.8-178.4-60.4-52.1-41.700112.9V73 A74 E81 L85V73-Q77 HydrophobicContact CG1-CG 4.34Å; V73-Q77 WeakPolarHBondContact O-CG 3.48Å; V73-Q77 PolarHBondContact O-N 3.46Å; A74-Q77 PolarHBondContact O-N 3.06Å; Q77-E81 HydrophobicContact CB-CB 3.92Å; Q77-E81 HydrophobicContact CB-CG 3.99Å; Q77-E81 HydrophobicContact CG-CG 4.02Å; Q77-L85 HydrophobicContact CG-CD1 3.98Å
78N81.3Confident89.2Confident100 Ų10073.2 Ų73.254%0.53537%0.366SS..  trans-61.4163.6171.77057.6000111.8V80 E81 R82N78-V80 VanDerWaalsContact C-N 3.28Å; N78-V80 PolarHBondContact O-N 3.38Å; N78-V80 PolarHBondContact OD1-N 3.39Å; N78-V80 VanDerWaalsContact OD1-N 3.13Å; N78-E81 PolarHBondContact O-N 3.49Å; N78-E81 WeakPolarHBondContact OD1-CB 3.22Å; N78-E81 PolarHBondContact OD1-N 2.89Å; N78-R82 WeakPolarHBondContact O-CB 3.35Å; N78-R82 PolarHBondContact O-N 2.95Å
79I81.7Confident89.1Confident124 Ų12468.3 Ų68.364%0.63634%0.34SS*.Hα-helixtrans-60.8-33.2-171.4-158.4160.6000114.1M83I79-M83 WeakPolarHBondContact O-CB 3.28Å; I79-M83 WeakPolarHBondContact O-CG 3.31Å; I79-M83 PolarHBondContact O-N 3.47Å
80V80.2Confident88.9Confident106 Ų10671.5 Ų71.564%0.64235%0.352SS*.Hα-helixtrans-71-49.7-179.6178.10000109.8N78 R82 M83 K84N78-V80 VanDerWaalsContact C-N 3.28Å; N78-V80 PolarHBondContact O-N 3.38Å; N78-V80 PolarHBondContact OD1-N 3.39Å; N78-V80 VanDerWaalsContact OD1-N 3.13Å; V80-R82 VanDerWaalsContact C-N 3.35Å; V80-M83 PolarHBondContact O-N 3.06Å; V80-K84 WeakPolarHBondContact O-CB 3.4Å; V80-K84 PolarHBondContact O-N 2.95Å
81E81.4Confident88.7Confident32 Ų3274.9 Ų74.915%0.1537%0.369CS..Hα-helixtrans-67.9-37.6180-167.967.6-174.400111.1Y35 Q77 N78 K84 L85Y35-E81 WeakPolarHBondContact CE2-OE1 3.48Å; Y35-E81 WeakPolarHBondContact OH-CG 3.34Å; Y35-E81 PolarHBondContact OH-OE1 3.35Å; Q77-E81 HydrophobicContact CB-CB 3.92Å; Q77-E81 HydrophobicContact CB-CG 3.99Å; Q77-E81 HydrophobicContact CG-CG 4.02Å; N78-E81 PolarHBondContact O-N 3.49Å; N78-E81 WeakPolarHBondContact OD1-CB 3.22Å; N78-E81 PolarHBondContact OD1-N 2.89Å; E81-K84 WeakPolarHBondContact O-CB 3.31Å; E81-K84 PolarHBondContact O-N 3.3Å; E81-L85 HydrophobicContact CG-CD1 4.21Å; E81-L85 HydrophobicContact CG-CG 4.47Å; E81-L85 WeakPolarHBondContact O-CB 3.31Å; E81-L85 VanDerWaalsContact O-CG 3.27Å; E81-L85 WeakPolarHBondContact O-CG 3.42Å; E81-L85 PolarHBondContact O-N 2.73Å
82R88.2Confident88.5Confident103 Ų10371.7 Ų71.739%0.38936%0.355SS..Hα-helixtrans-58.1-49.8172.1-180172.3-178.2-1794111.7A74 N78 V80 K84 L85 L86A74-R82 HydrophobicContact CB-CG 4.22Å; A74-R82 WeakPolarHBondContact O-CB 3.33Å; A74-R82 WeakPolarHBondContact O-CD 3.25Å; A74-R82 VanDerWaalsContact O-CG 3.22Å; A74-R82 WeakPolarHBondContact O-CG 3.25Å; N78-R82 WeakPolarHBondContact O-CB 3.35Å; N78-R82 PolarHBondContact O-N 2.95Å; V80-R82 VanDerWaalsContact C-N 3.35Å; R82-K84 VanDerWaalsContact C-N 3.3Å; R82-K84 PolarHBondContact O-N 3.49Å; R82-L85 PolarHBondContact O-N 2.93Å; R82-L86 HydrophobicContact CG-CD1 4.09Å; R82-L86 WeakPolarHBondContact O-CB 3.45Å; R82-L86 VanDerWaalsContact O-CG 3.26Å; R82-L86 WeakPolarHBondContact O-CG 3.46Å; R82-L86 PolarHBondContact O-N 2.71Å
83M86.6Confident88.1Confident123 Ų12373.3 Ų73.361%0.60636%0.357SS*.Hα-helixtrans-63-38.5178.4-72.5-67.5176.500111.8I79 V80 Q87I79-M83 WeakPolarHBondContact O-CB 3.28Å; I79-M83 WeakPolarHBondContact O-CG 3.31Å; I79-M83 PolarHBondContact O-N 3.47Å; V80-M83 PolarHBondContact O-N 3.06Å; M83-Q87 WeakPolarHBondContact O-CB 3.48Å; M83-Q87 PolarHBondContact O-N 3.34Å
84K90.1Very high88Confident88 Ų8877.3 Ų77.338%0.38338%0.381SS..Hα-helixtrans-64.1-49176.2-175.1-179.2176.5-171.60111.9E31 V80 E81 R82 L86 Q87 I88E31-K84 WeakPolarHBondContact OE1-CE 3.49Å; E31-K84 IonicContact OE1-NZ 2.67Å; E31-K84 PolarHBondContact OE1-NZ 3.35Å; V80-K84 WeakPolarHBondContact O-CB 3.4Å; V80-K84 PolarHBondContact O-N 2.95Å; E81-K84 WeakPolarHBondContact O-CB 3.31Å; E81-K84 PolarHBondContact O-N 3.3Å; R82-K84 VanDerWaalsContact C-N 3.3Å; R82-K84 PolarHBondContact O-N 3.49Å; K84-L86 PolarHBondContact O-N 2.88Å; K84-Q87 WeakPolarHBondContact O-CB 3.49Å; K84-Q87 PolarHBondContact O-N 3.46Å; K84-Q87 VanDerWaalsContact O-N 3.14Å; K84-I88 HydrophobicContact CG-CD1 4.23Å; K84-I88 WeakPolarHBondContact O-CG1 3.37Å; K84-I88 PolarHBondContact O-N 2.93Å
85L92.6Very high87.7Confident0 Ų080.7 Ų80.70%039%0.394CS..Hα-helixtrans-63-41.1178.3-69.1174000111.9E31 Y35 L70 V73 A74 Q77 E81 R82 Q87 I88 T89E31-L85 HydrophobicContact CB-CD2 4.22Å; Y35-L85 HydrophobicContact CD2-CD1 4.39Å; Y35-L85 HydrophobicContact CD2-CD2 3.74Å; Y35-L85 HydrophobicContact CE2-CD1 4.13Å; Y35-L85 HydrophobicContact CE2-CD2 3.78Å; Y35-L85 HydrophobicContact CE2-CG 4.44Å; L70-L85 HydrophobicContact CD2-CD2 4.12Å; V73-L85 HydrophobicContact CG1-CD1 4.13Å; A74-L85 HydrophobicContact CB-CB 3.71Å; A74-L85 HydrophobicContact CB-CD1 3.99Å; Q77-L85 HydrophobicContact CG-CD1 3.98Å; E81-L85 HydrophobicContact CG-CD1 4.21Å; E81-L85 HydrophobicContact CG-CG 4.47Å; E81-L85 WeakPolarHBondContact O-CB 3.31Å; E81-L85 VanDerWaalsContact O-CG 3.27Å; E81-L85 WeakPolarHBondContact O-CG 3.42Å; E81-L85 PolarHBondContact O-N 2.73Å; R82-L85 PolarHBondContact O-N 2.93Å; L85-Q87 VanDerWaalsContact C-N 3.28Å; L85-Q87 PolarHBondContact O-N 2.85Å; L85-I88 HydrophobicContact CD2-CD1 4.38Å; L85-I88 WeakPolarHBondContact O-CB 3.29Å; L85-I88 PolarHBondContact O-N 3.13Å; L85-T89 WeakPolarHBondContact O-CG2 3.42Å; L85-T89 PolarHBondContact O-N 3.19Å
86L92.3Very high87.7Confident52 Ų5277.7 Ų77.727%0.27239%0.387SS..Hα-helixtrans-65.6-29.2174.1-69.7175.7000113.2E71 A74 R82 K84 T89 K90E71-L86 HydrophobicContact CG-CD2 4.19Å; A74-L86 HydrophobicContact CB-CD2 4.48Å; A74-L86 HydrophobicContact CB-CG 4.39Å; R82-L86 HydrophobicContact CG-CD1 4.09Å; R82-L86 WeakPolarHBondContact O-CB 3.45Å; R82-L86 VanDerWaalsContact O-CG 3.26Å; R82-L86 WeakPolarHBondContact O-CG 3.46Å; R82-L86 PolarHBondContact O-N 2.71Å; K84-L86 PolarHBondContact O-N 2.88Å; L86-T89 WeakPolarHBondContact CA-OG1 3.49Å; L86-T89 PolarHBondContact O-OG1 2.87Å; L86-K90 WeakPolarHBondContact O-CG 3.42Å; L86-K90 PolarHBondContact O-N 3.49Å
87Q91.9Very high88Confident97 Ų9770.4 Ų70.445%0.45335%0.352SS..Hα-helixtrans-73.2-38.6172.5-174.658.835.600111.3M83 K84 L85 K90 N91M83-Q87 WeakPolarHBondContact O-CB 3.48Å; M83-Q87 PolarHBondContact O-N 3.34Å; K84-Q87 WeakPolarHBondContact O-CB 3.49Å; K84-Q87 PolarHBondContact O-N 3.46Å; K84-Q87 VanDerWaalsContact O-N 3.14Å; L85-Q87 VanDerWaalsContact C-N 3.28Å; L85-Q87 PolarHBondContact O-N 2.85Å; Q87-K90 PolarHBondContact O-N 3.33Å; Q87-N91 PolarHBondContact NE2-OD1 3.25Å; Q87-N91 VanDerWaalsContact NE2-OD1 3.1Å; Q87-N91 VanDerWaalsContact O-CG 3.29Å; Q87-N91 PolarHBondContact O-N 3.47Å
88I93Very high88.2Confident13 Ų1367.9 Ų67.97%0.06734%0.341CS..Hα-helixtrans-61.3-47175.5-69.7167.7000110.3P29 E31 I32 K84 L85 K90 N91 M92P29-I88 HydrophobicContact CB-CD1 4.12Å; P29-I88 HydrophobicContact CG-CD1 4.13Å; P29-I88 HydrophobicContact CG-CG1 3.99Å; P29-I88 HydrophobicContact CG-CG2 4.12Å; E31-I88 HydrophobicContact CB-CD1 3.93Å; E31-I88 HydrophobicContact CG-CD1 4.2Å; I32-I88 HydrophobicContact CD1-CG2 3.81Å; I32-I88 HydrophobicContact CG1-CG2 3.68Å; K84-I88 HydrophobicContact CG-CD1 4.23Å; K84-I88 WeakPolarHBondContact O-CG1 3.37Å; K84-I88 PolarHBondContact O-N 2.93Å; L85-I88 HydrophobicContact CD2-CD1 4.38Å; L85-I88 WeakPolarHBondContact O-CB 3.29Å; L85-I88 PolarHBondContact O-N 3.13Å; I88-K90 VanDerWaalsContact C-N 3.34Å; I88-K90 PolarHBondContact O-N 3Å; I88-N91 PolarHBondContact O-N 3.29Å; I88-N91 VanDerWaalsContact O-N 3.11Å; I88-M92 HydrophobicContact CG2-CG 4.31Å; I88-M92 HydrophobicContact CG2-SD 3.96Å; I88-M92 VanDerWaalsContact O-CG 3.31Å; I88-M92 WeakPolarHBondContact O-CG 3.34Å; I88-M92 PolarHBondContact O-N 3.28Å
89T92.9Very high88.7Confident3 Ų367.3 Ų67.32%0.01834%0.335CS..Hα-helixtrans-62-40.2179.9580000112.3V67 L70 E71 L85 L86 N91 M92 M93V67-T89 HydrophobicContact CG1-CG2 4.32Å; L70-T89 HydrophobicContact CB-CG2 3.56Å; L70-T89 HydrophobicContact CD1-CG2 4.26Å; E71-T89 HydrophobicContact CG-CG2 3.99Å; L85-T89 WeakPolarHBondContact O-CG2 3.42Å; L85-T89 PolarHBondContact O-N 3.19Å; L86-T89 WeakPolarHBondContact CA-OG1 3.49Å; L86-T89 PolarHBondContact O-OG1 2.87Å; T89-N91 PolarHBondContact O-N 2.67Å; T89-M92 PolarHBondContact O-N 3.34Å; T89-M93 WeakPolarHBondContact O-CG 3.4Å; T89-M93 PolarHBondContact O-N 2.86Å
90K90.4Very high89.2Confident134 Ų13462.2 Ų62.258%0.58331%0.308SS*.Hα-helixtrans-60-44.1172.4-72.9174.3-175.9176.90112.5L86 Q87 I88 M92 M93L86-K90 WeakPolarHBondContact O-CG 3.42Å; L86-K90 PolarHBondContact O-N 3.49Å; Q87-K90 PolarHBondContact O-N 3.33Å; I88-K90 VanDerWaalsContact C-N 3.34Å; I88-K90 PolarHBondContact O-N 3Å; K90-M92 VanDerWaalsContact C-N 3.32Å; K90-M92 PolarHBondContact O-N 3.15Å; K90-M93 PolarHBondContact O-N 3.1Å
91N89.3Confident89.8Confident71 Ų7157.1 Ų57.138%0.3828%0.277SS..Hα-helixtrans-69.3-28.5178.9-70.6-7.9000112.9Q87 I88 T89 T94Q87-N91 PolarHBondContact NE2-OD1 3.25Å; Q87-N91 VanDerWaalsContact NE2-OD1 3.1Å; Q87-N91 VanDerWaalsContact O-CG 3.29Å; Q87-N91 PolarHBondContact O-N 3.47Å; I88-N91 PolarHBondContact O-N 3.29Å; I88-N91 VanDerWaalsContact O-N 3.11Å; T89-N91 PolarHBondContact O-N 2.67Å; N91-T94 PolarHBondContact O-OG1 2.83Å
92M89.6Confident90.3Very high10 Ų1056.4 Ų56.45%0.04928%0.275CS..Hα-helixtrans-67.5-38.4174.5-72.8174.36300111.4I32 L63 A66 V67 L70 I88 T89 K90 T94 R95 F100I32-M92 HydrophobicContact CD1-CE 4.34Å; I32-M92 HydrophobicContact CD1-CG 3.98Å; I32-M92 HydrophobicContact CD1-SD 3.52Å; I32-M92 VanDerWaalsContact CD1-SD 3.52Å; I32-M92 HydrophobicContact CG1-SD 4.08Å; L63-M92 HydrophobicContact CD1-CB 4.15Å; L63-M92 HydrophobicContact CD1-CE 3.81Å; A66-M92 HydrophobicContact CB-CE 4.06Å; V67-M92 HydrophobicContact CG2-CB 4.28Å; V67-M92 HydrophobicContact CG2-CE 4.2Å; L70-M92 HydrophobicContact CD1-CE 4.27Å; L70-M92 HydrophobicContact CD1-SD 3.63Å; I88-M92 HydrophobicContact CG2-CG 4.31Å; I88-M92 HydrophobicContact CG2-SD 3.96Å; I88-M92 VanDerWaalsContact O-CG 3.31Å; I88-M92 WeakPolarHBondContact O-CG 3.34Å; I88-M92 PolarHBondContact O-N 3.28Å; T89-M92 PolarHBondContact O-N 3.34Å; K90-M92 VanDerWaalsContact C-N 3.32Å; K90-M92 PolarHBondContact O-N 3.15Å; M92-T94 VanDerWaalsContact C-N 3.3Å; M92-T94 PolarHBondContact O-N 3.22Å; M92-R95 PolarHBondContact O-N 3.26Å; M92-F100 HydrophobicContact CE-CD2 4.21Å; M92-F100 HydrophobicContact CE-CE1 4.46Å; M92-F100 HydrophobicContact CE-CE2 3.43Å; M92-F100 VanDerWaalsContact CE-CE2 3.43Å; M92-F100 HydrophobicContact CE-CZ 3.56Å
93M87.1Confident90.5Very high94 Ų9454.5 Ų54.546%0.46327%0.27SS..Hα-helixtrans-75.4-13.1-178.2-66.8-61.5-71.600114.4L63 V67 T89 K90 R95L63-M93 HydrophobicContact CD2-SD 4.38Å; L63-M93 HydrophobicContact CG-SD 4.31Å; V67-M93 HydrophobicContact CG2-CG 4.02Å; V67-M93 HydrophobicContact CG2-SD 3.81Å; T89-M93 WeakPolarHBondContact O-CG 3.4Å; T89-M93 PolarHBondContact O-N 2.86Å; K90-M93 PolarHBondContact O-N 3.1Å; M93-R95 VanDerWaalsContact C-N 3.29Å
94T88.4Confident90.8Very high115 Ų11548.7 Ų48.771%0.70624%0.241SC*.THydrogen-bonded Turntrans-85.1-2.7176.257.20000113.4N91 M92N91-T94 PolarHBondContact O-OG1 2.83Å; M92-T94 VanDerWaalsContact C-N 3.3Å; M92-T94 PolarHBondContact O-N 3.22Å
95R84.6Confident91Very high72 Ų7246.1 Ų46.127%0.27223%0.229SC..SBendtrans-111.9152.9-175.9-64.6172.7177.9-105.2-6111.5D26 T27 M92 M93 E99D26-R95 PolarHBondContact O-NH2 2.95Å; T27-R95 VanDerWaalsContact CB-NH1 3.29Å; M92-R95 PolarHBondContact O-N 3.26Å; M93-R95 VanDerWaalsContact C-N 3.29Å; R95-E99 IonicContact NH1-OE1 3.74Å; R95-E99 PolarHBondContact NH1-OE1 3.49Å; R95-E99 VanDerWaalsContact NH1-OE1 3.16Å
96P89.6Confident91Very high75 Ų7548.9 Ų48.949%0.48724%0.244SC..  trans-60137.6173.6-21.333.1000111.9M98 E99 F100P96-M98 VanDerWaalsContact C-N 3.28Å; P96-M98 PolarHBondContact O-N 3.36Å; P96-E99 HydrophobicContact CB-CB 4.32Å; P96-E99 WeakPolarHBondContact O-CB 3.38Å; P96-E99 PolarHBondContact O-N 3.19Å; P96-F100 PolarHBondContact O-N 3.35Å
97A90.4Very high91.1Very high0 Ų046.6 Ų46.60%023%0.232CC..Hα-helixtrans-66.1-33.1-176.600000112.6E56 A59 Q60 L63 E99 F100 A101E56-A97 PolarHBondContact OE1-N 3.45Å; A59-A97 HydrophobicContact CB-CB 3.97Å; Q60-A97 VanDerWaalsContact CA-CB 3.48Å; Q60-A97 HydrophobicContact CB-CB 4.02Å; L63-A97 HydrophobicContact CB-CB 4.23Å; L63-A97 HydrophobicContact CD2-CB 3.93Å; A97-E99 VanDerWaalsContact C-N 3.31Å; A97-E99 PolarHBondContact O-N 2.86Å; A97-F100 WeakPolarHBondContact O-CB 3.23Å; A97-F100 PolarHBondContact O-N 3.01Å; A97-A101 PolarHBondContact O-N 3.47Å; A97-A101 VanDerWaalsContact O-N 3.1Å
98M91.3Very high91.1Very high13 Ų1342.8 Ų42.86%0.06421%0.214CC..Hα-helixtrans-63-34.5172.3-79.5-63.3-67.300113.5F48 S49 Q52 K55 E56 A59 P96 F100 V102F48-M98 HydrophobicContact CD1-CE 4.29Å; F48-M98 HydrophobicContact CD1-SD 3.76Å; F48-M98 HydrophobicContact CE1-SD 4.34Å; S49-M98 WeakPolarHBondContact O-CE 3.29Å; Q52-M98 HydrophobicContact CB-CE 4.35Å; K55-M98 HydrophobicContact CB-SD 4.22Å; E56-M98 HydrophobicContact CB-CG 4.25Å; E56-M98 VanDerWaalsContact CD-CG 3.43Å; E56-M98 HydrophobicContact CG-CG 4.43Å; E56-M98 PolarHBondContact OE1-N 3.24Å; E56-M98 WeakPolarHBondContact OE2-CB 3.29Å; E56-M98 WeakPolarHBondContact OE2-CG 3.45Å; A59-M98 HydrophobicContact CB-CG 4.16Å; A59-M98 HydrophobicContact CB-SD 3.7Å; P96-M98 VanDerWaalsContact C-N 3.28Å; P96-M98 PolarHBondContact O-N 3.36Å; M98-F100 VanDerWaalsContact C-N 3.34Å; M98-V102 WeakPolarHBondContact O-CB 3.39Å; M98-V102 VanDerWaalsContact O-CG2 3.25Å; M98-V102 WeakPolarHBondContact O-CG2 3.48Å; M98-V102 PolarHBondContact O-N 3.02Å
99E90.7Very high91.1Very high89 Ų8947.4 Ų47.442%0.41623%0.23SC..Hα-helixtrans-63.4-43.8175.4-170.3-171.8143.200110.4R95 P96 A97 K103R95-E99 IonicContact NH1-OE1 3.74Å; R95-E99 PolarHBondContact NH1-OE1 3.49Å; R95-E99 VanDerWaalsContact NH1-OE1 3.16Å; P96-E99 HydrophobicContact CB-CB 4.32Å; P96-E99 WeakPolarHBondContact O-CB 3.38Å; P96-E99 PolarHBondContact O-N 3.19Å; A97-E99 VanDerWaalsContact C-N 3.31Å; A97-E99 PolarHBondContact O-N 2.86Å; E99-K103 VanDerWaalsContact O-CB 3.26Å; E99-K103 WeakPolarHBondContact O-CB 3.41Å; E99-K103 PolarHBondContact O-N 3.01Å
100F92.2Very high90.9Very high16 Ų1651.7 Ų51.77%0.0725%0.25CC..Hα-helixtrans-60.2-49.6177.5176.2-107.5000112.4F28 W45 L63 A66 M92 P96 A97 M98 V102 K103 I104F28-F100 HydrophobicContact CD2-CD2 4.33Å; F28-F100 HydrophobicContact CD2-CE2 4.02Å; F28-F100 HydrophobicContact CE2-CD2 4.39Å; F28-F100 AromaticContact CE2-CE2 3.73Å; F28-F100 HydrophobicContact CE2-CE2 3.73Å; F28-F100 HydrophobicContact CE2-CZ 4.42Å; W45-F100 HydrophobicContact CH2-CE1 4.42Å; L63-F100 HydrophobicContact CB-CD1 4.22Å; L63-F100 HydrophobicContact CD1-CB 4.27Å; L63-F100 HydrophobicContact CD1-CD1 3.74Å; L63-F100 HydrophobicContact CD1-CD2 4.15Å; L63-F100 HydrophobicContact CD1-CE1 4.01Å; L63-F100 HydrophobicContact CD1-CE2 4.41Å; L63-F100 HydrophobicContact CD1-CG 3.8Å; L63-F100 HydrophobicContact CD1-CZ 4.33Å; A66-F100 HydrophobicContact CB-CE1 4.18Å; A66-F100 HydrophobicContact CB-CZ 3.96Å; M92-F100 HydrophobicContact CE-CD2 4.21Å; M92-F100 HydrophobicContact CE-CE1 4.46Å; M92-F100 HydrophobicContact CE-CE2 3.43Å; M92-F100 VanDerWaalsContact CE-CE2 3.43Å; M92-F100 HydrophobicContact CE-CZ 3.56Å; P96-F100 PolarHBondContact O-N 3.35Å; A97-F100 WeakPolarHBondContact O-CB 3.23Å; A97-F100 PolarHBondContact O-N 3.01Å; M98-F100 VanDerWaalsContact C-N 3.34Å; F100-V102 PolarHBondContact O-N 3.18Å; F100-K103 WeakPolarHBondContact O-CB 3.42Å; F100-K103 PolarHBondContact O-N 2.9Å; F100-I104 HydrophobicContact CD1-CD1 3.94Å; F100-I104 HydrophobicContact CD2-CD1 4.31Å; F100-I104 HydrophobicContact CE1-CD1 3.46Å; F100-I104 VanDerWaalsContact CE1-CD1 3.46Å; F100-I104 HydrophobicContact CE2-CD1 3.85Å; F100-I104 HydrophobicContact CE2-CG1 4.48Å; F100-I104 HydrophobicContact CG-CD1 4.35Å; F100-I104 HydrophobicContact CZ-CD1 3.42Å; F100-I104 VanDerWaalsContact CZ-CD1 3.42Å; F100-I104 HydrophobicContact CZ-CG1 4.48Å; F100-I104 PolarHBondContact O-N 3.3Å; F100-I104 VanDerWaalsContact O-N 3.08Å
101A92.4Very high91Very high0 Ų045.3 Ų45.30%022%0.222CC..Hα-helixtrans-64.2-42.6-179.600000112.5W45 F48 A59 A97 K103 I104 R105W45-A101 HydrophobicContact CE3-CB 4.06Å; W45-A101 HydrophobicContact CZ3-CB 4.03Å; F48-A101 HydrophobicContact CB-CB 4.06Å; F48-A101 HydrophobicContact CD1-CB 3.73Å; F48-A101 HydrophobicContact CD2-CB 3.92Å; F48-A101 HydrophobicContact CE1-CB 4.13Å; F48-A101 HydrophobicContact CE2-CB 4.29Å; F48-A101 HydrophobicContact CG-CB 3.62Å; F48-A101 HydrophobicContact CZ-CB 4.39Å; A59-A101 HydrophobicContact CB-CB 4.19Å; A97-A101 PolarHBondContact O-N 3.47Å; A97-A101 VanDerWaalsContact O-N 3.1Å; A101-K103 VanDerWaalsContact C-N 3.31Å; A101-K103 PolarHBondContact O-N 2.76Å; A101-I104 PolarHBondContact O-N 2.99Å; A101-R105 PolarHBondContact O-N 3.3Å; A101-R105 VanDerWaalsContact O-N 3.15Å
102V91.9Very high90.9Very high16 Ų1646.6 Ų46.610%0.09723%0.225CC..Hα-helixtrans-65.5-35.9175.9171.30000111.3F48 P50 M98 F100 R105 N106F48-V102 HydrophobicContact CB-CG2 4.21Å; P50-V102 HydrophobicContact CG-CG1 4.34Å; P50-V102 HydrophobicContact CG-CG2 4.5Å; M98-V102 WeakPolarHBondContact O-CB 3.39Å; M98-V102 VanDerWaalsContact O-CG2 3.25Å; M98-V102 WeakPolarHBondContact O-CG2 3.48Å; M98-V102 PolarHBondContact O-N 3.02Å; F100-V102 PolarHBondContact O-N 3.18Å; V102-R105 PolarHBondContact O-N 3.03Å; V102-N106 PolarHBondContact O-N 3.27Å; V102-N106 PolarHBondContact O-ND2 3.08Å; V102-N106 PolarHBondContact O-OD1 3.25Å
103K92.7Very high90.8Very high64 Ų6451.7 Ų51.728%0.27825%0.25SC..Hα-helixtrans-63.8-48.1177.4-168.373.2178.2-170.40111.4T27 F28 E99 F100 A101 R105 N106 I107T27-K103 WeakPolarHBondContact OG1-CE 3.45Å; F28-K103 HydrophobicContact CB-CG 4.07Å; F28-K103 HydrophobicContact CG-CG 4.49Å; E99-K103 VanDerWaalsContact O-CB 3.26Å; E99-K103 WeakPolarHBondContact O-CB 3.41Å; E99-K103 PolarHBondContact O-N 3.01Å; F100-K103 WeakPolarHBondContact O-CB 3.42Å; F100-K103 PolarHBondContact O-N 2.9Å; A101-K103 VanDerWaalsContact C-N 3.31Å; A101-K103 PolarHBondContact O-N 2.76Å; K103-R105 VanDerWaalsContact C-N 3.34Å; K103-R105 PolarHBondContact O-N 3.41Å; K103-N106 PolarHBondContact O-N 3.23Å; K103-I107 HydrophobicContact CG-CD1 4.06Å; K103-I107 WeakPolarHBondContact O-CG1 3.31Å; K103-I107 PolarHBondContact O-N 2.93Å
104I93.4Very high90.7Very high1 Ų148.6 Ų48.61%0.00524%0.235CC..Hα-helixtrans-58.8-46.5177.1-67.2163.5000110.8F28 L40 W45 F100 A101 N106 I107 F108F28-I104 HydrophobicContact CD2-CG1 4.27Å; F28-I104 HydrophobicContact CE2-CD1 4.02Å; F28-I104 HydrophobicContact CE2-CG1 3.44Å; F28-I104 VanDerWaalsContact CE2-CG1 3.44Å; F28-I104 HydrophobicContact CZ-CG1 3.81Å; L40-I104 HydrophobicContact CD2-CD1 3.68Å; L40-I104 HydrophobicContact CD2-CG1 4.4Å; L40-I104 HydrophobicContact CD2-CG2 4.44Å; W45-I104 HydrophobicContact CB-CG2 4.41Å; W45-I104 HydrophobicContact CD2-CB 4.08Å; W45-I104 HydrophobicContact CD2-CD1 4.37Å; W45-I104 HydrophobicContact CD2-CG2 3.64Å; W45-I104 HydrophobicContact CE3-CB 4.23Å; W45-I104 HydrophobicContact CE3-CD1 4.14Å; W45-I104 HydrophobicContact CE3-CG2 4.29Å; W45-I104 HydrophobicContact CG-CB 4.36Å; W45-I104 HydrophobicContact CG-CG2 3.66Å; W45-I104 HydrophobicContact CH2-CD1 3.66Å; W45-I104 HydrophobicContact CZ2-CD1 3.92Å; W45-I104 HydrophobicContact CZ2-CG2 4.41Å; W45-I104 HydrophobicContact CZ3-CD1 3.78Å; F100-I104 HydrophobicContact CD1-CD1 3.94Å; F100-I104 HydrophobicContact CD2-CD1 4.31Å; F100-I104 HydrophobicContact CE1-CD1 3.46Å; F100-I104 VanDerWaalsContact CE1-CD1 3.46Å; F100-I104 HydrophobicContact CE2-CD1 3.85Å; F100-I104 HydrophobicContact CE2-CG1 4.48Å; F100-I104 HydrophobicContact CG-CD1 4.35Å; F100-I104 HydrophobicContact CZ-CD1 3.42Å; F100-I104 VanDerWaalsContact CZ-CD1 3.42Å; F100-I104 HydrophobicContact CZ-CG1 4.48Å; F100-I104 PolarHBondContact O-N 3.3Å; F100-I104 VanDerWaalsContact O-N 3.08Å; A101-I104 PolarHBondContact O-N 2.99Å; I104-N106 VanDerWaalsContact C-N 3.32Å; I104-N106 PolarHBondContact O-N 3.46Å; I104-I107 PolarHBondContact O-N 3Å; I104-F108 HydrophobicContact CG2-CD1 4.3Å; I104-F108 HydrophobicContact CG2-CD2 4.34Å; I104-F108 HydrophobicContact CG2-CE1 4.14Å; I104-F108 HydrophobicContact CG2-CE2 4.19Å; I104-F108 HydrophobicContact CG2-CG 4.42Å; I104-F108 HydrophobicContact CG2-CZ 4.11Å; I104-F108 PolarHBondContact O-N 2.86Å
105R93.9Very high90.4Very high33 Ų3343.9 Ų43.913%0.12521%0.205CC..Hα-helixtrans-53.8-48.7175.4-176.9-162.569.11723.4111.8W45 F48 A101 V102 K103 F108 R109W45-R105 HydrophobicContact CB-CB 4.05Å; W45-R105 WeakPolarHBondContact O-CB 3.45Å; W45-R105 WeakPolarHBondContact O-CD 3.5Å; W45-R105 WeakPolarHBondContact O-CG 3.49Å; F48-R105 WeakPolarHBondContact O-CD 3.47Å; F48-R105 VanDerWaalsContact O-CZ 3.32Å; F48-R105 PolarHBondContact O-NH1 3.33Å; A101-R105 PolarHBondContact O-N 3.3Å; A101-R105 VanDerWaalsContact O-N 3.15Å; V102-R105 PolarHBondContact O-N 3.03Å; K103-R105 VanDerWaalsContact C-N 3.34Å; K103-R105 PolarHBondContact O-N 3.41Å; R105-F108 PolarHBondContact O-N 2.77Å; R105-R109 WeakPolarHBondContact O-CG 3.34Å; R105-R109 PolarHBondContact O-N 2.9Å
106N92.7Very high90.2Very high59 Ų5944.3 Ų44.332%0.31622%0.218SC..Hα-helixtrans-65.5-41.5-178.5-67.6-13.6000111.7V102 K103 I104 R109 Q110V102-N106 PolarHBondContact O-N 3.27Å; V102-N106 PolarHBondContact O-ND2 3.08Å; V102-N106 PolarHBondContact O-OD1 3.25Å; K103-N106 PolarHBondContact O-N 3.23Å; I104-N106 VanDerWaalsContact C-N 3.32Å; I104-N106 PolarHBondContact O-N 3.46Å; N106-R109 PolarHBondContact O-N 3.13Å; N106-Q110 WeakPolarHBondContact O-CG 3.42Å; N106-Q110 PolarHBondContact O-N 3.12Å
107I94.2Very high89.5Confident3 Ų345.7 Ų45.72%0.01522%0.218CC..Hα-helixtrans-61-47.3175.6-70173.1000110.1L22 Y23 F28 K103 I104 R109 Q110 E111L22-I107 HydrophobicContact CD1-CG2 4.48Å; Y23-I107 HydrophobicContact CD1-CD1 4.42Å; Y23-I107 HydrophobicContact CD1-CG2 4.18Å; Y23-I107 HydrophobicContact CE1-CG2 3.6Å; F28-I107 HydrophobicContact CB-CD1 4.03Å; F28-I107 HydrophobicContact CD1-CD1 3.26Å; F28-I107 HydrophobicContact CE1-CD1 3.75Å; F28-I107 HydrophobicContact CG-CD1 3.7Å; K103-I107 HydrophobicContact CG-CD1 4.06Å; K103-I107 WeakPolarHBondContact O-CG1 3.31Å; K103-I107 PolarHBondContact O-N 2.93Å; I104-I107 PolarHBondContact O-N 3Å; I107-R109 VanDerWaalsContact C-N 3.29Å; I107-R109 PolarHBondContact O-N 3.1Å; I107-Q110 PolarHBondContact O-N 3.39Å; I107-Q110 VanDerWaalsContact O-N 3.1Å; I107-E111 HydrophobicContact CG2-CG 4.23Å; I107-E111 WeakPolarHBondContact CG2-OE1 3.31Å; I107-E111 WeakPolarHBondContact O-CG 3.45Å; I107-E111 PolarHBondContact O-N 3.09Å
108F92.8Very high88.5Confident17 Ų1748.5 Ų48.58%0.07523%0.23CC..Hα-helixtrans-61.5-35.8178.4-80.210.3000113L40 E41 W45 I104 R105 K112L40-F108 HydrophobicContact CB-CZ 3.89Å; E41-F108 HydrophobicContact CG-CZ 4.17Å; W45-F108 AromaticContact CD1-CD2 3.89Å; W45-F108 AromaticContact CD1-CE2 3.58Å; W45-F108 AromaticContact NE1-CE2 3.89Å; I104-F108 HydrophobicContact CG2-CD1 4.3Å; I104-F108 HydrophobicContact CG2-CD2 4.34Å; I104-F108 HydrophobicContact CG2-CE1 4.14Å; I104-F108 HydrophobicContact CG2-CE2 4.19Å; I104-F108 HydrophobicContact CG2-CG 4.42Å; I104-F108 HydrophobicContact CG2-CZ 4.11Å; I104-F108 PolarHBondContact O-N 2.86Å; R105-F108 PolarHBondContact O-N 2.77Å; F108-K112 WeakPolarHBondContact O-CB 3.42Å; F108-K112 VanDerWaalsContact O-CG 3.29Å; F108-K112 WeakPolarHBondContact O-CG 3.43Å; F108-K112 PolarHBondContact O-N 3.34Å
109R91.9Very high87Confident111 Ų11152.7 Ų52.742%0.41925%0.252SS..Hα-helixtrans-66.1-44.1173-72.9178.6178.5-176.6-0.4111.7E46 R105 N106 I107 K112 M113E46-R109 IonicContact OE1-NE 3.11Å; E46-R109 IonicContact OE2-CZ 2.72Å; E46-R109 VanDerWaalsContact OE2-CZ 3.22Å; E46-R109 IonicContact OE2-NE 3.04Å; E46-R109 PolarHBondContact OE2-NE 3.47Å; E46-R109 IonicContact OE2-NH2 3.76Å; E46-R109 PolarHBondContact OE2-NH2 3.35Å; R105-R109 WeakPolarHBondContact O-CG 3.34Å; R105-R109 PolarHBondContact O-N 2.9Å; N106-R109 PolarHBondContact O-N 3.13Å; I107-R109 VanDerWaalsContact C-N 3.29Å; I107-R109 PolarHBondContact O-N 3.1Å; R109-K112 PolarHBondContact O-N 3.45Å; R109-M113 WeakPolarHBondContact O-CG 3.49Å; R109-M113 PolarHBondContact O-N 3.1Å
110Q89.8Confident85.3Confident92 Ų9251.2 Ų51.243%0.4326%0.255SS..Hα-helixtrans-65.2-43.6177.5-72177.8-5.300112L22 N106 I107 K112 M113 I114L22-Q110 HydrophobicContact CD1-CB 3.61Å; L22-Q110 VanDerWaalsContact CD1-OE1 3.26Å; N106-Q110 WeakPolarHBondContact O-CG 3.42Å; N106-Q110 PolarHBondContact O-N 3.12Å; I107-Q110 PolarHBondContact O-N 3.39Å; I107-Q110 VanDerWaalsContact O-N 3.1Å; Q110-K112 VanDerWaalsContact C-N 3.34Å; Q110-K112 PolarHBondContact O-N 2.93Å; Q110-M113 PolarHBondContact O-N 3.49Å; Q110-I114 WeakPolarHBondContact O-CD1 3.45Å; Q110-I114 VanDerWaalsContact O-CG1 3.29Å; Q110-I114 WeakPolarHBondContact O-CG1 3.43Å; Q110-I114 PolarHBondContact O-N 2.82Å
111E92.1Very high83.6Confident0 Ų055.8 Ų55.80%028%0.281CS..Hα-helixtrans-54.7-49.3172.2-73.4-177.6-163.400110.8Q3 M7 Y23 R33 I107 M113 I114 L115Q3-E111 PolarHBondContact NE2-OE2 3.18Å; M7-E111 HydrophobicContact CE-CB 4.4Å; M7-E111 HydrophobicContact CE-CG 4.01Å; M7-E111 HydrophobicContact CG-CB 3.87Å; M7-E111 HydrophobicContact CG-CG 3.81Å; M7-E111 HydrophobicContact SD-CB 3.87Å; M7-E111 HydrophobicContact SD-CG 4.04Å; Y23-E111 PolarHBondContact OH-OE1 3.49Å; R33-E111 IonicContact CZ-OE1 3.9Å; R33-E111 IonicContact CZ-OE2 2.87Å; R33-E111 IonicContact NE-OE1 3.55Å; R33-E111 PolarHBondContact NE-OE1 3.47Å; R33-E111 IonicContact NE-OE2 3.34Å; R33-E111 IonicContact NH2-OE1 2.71Å; R33-E111 IonicContact NH2-OE2 2.88Å; R33-E111 PolarHBondContact NH2-OE2 3.26Å; I107-E111 HydrophobicContact CG2-CG 4.23Å; I107-E111 WeakPolarHBondContact CG2-OE1 3.31Å; I107-E111 WeakPolarHBondContact O-CG 3.45Å; I107-E111 PolarHBondContact O-N 3.09Å; E111-M113 VanDerWaalsContact C-N 3.35Å; E111-M113 PolarHBondContact O-N 3.44Å; E111-I114 PolarHBondContact O-N 3.32Å; E111-L115 VanDerWaalsContact O-CG 3.3Å; E111-L115 WeakPolarHBondContact O-CG 3.27Å; E111-L115 PolarHBondContact O-N 3.28Å
112K87.9Confident81.5Confident99 Ų9960.5 Ų60.543%0.4330%0.301SS..Hα-helixtrans-61.4-39.8177.3-75.3174.1-177.6174.80112.7F108 R109 Q110 L115 C116F108-K112 WeakPolarHBondContact O-CB 3.42Å; F108-K112 VanDerWaalsContact O-CG 3.29Å; F108-K112 WeakPolarHBondContact O-CG 3.43Å; F108-K112 PolarHBondContact O-N 3.34Å; R109-K112 PolarHBondContact O-N 3.45Å; Q110-K112 VanDerWaalsContact C-N 3.34Å; Q110-K112 PolarHBondContact O-N 2.93Å; K112-L115 PolarHBondContact O-N 3.42Å; K112-C116 WeakPolarHBondContact O-CB 3.43Å; K112-C116 PolarHBondContact O-N 3.32Å; K112-C116 PolarHBondContact O-SG 3.42Å
113M86.1Confident79.3Confident117 Ų11770.4 Ų70.458%0.57634%0.337SS*.Hα-helixtrans-62.2-47.1175.7-73.6-178.468.800111.5R109 Q110 E111 L115 C116 E117R109-M113 WeakPolarHBondContact O-CG 3.49Å; R109-M113 PolarHBondContact O-N 3.1Å; Q110-M113 PolarHBondContact O-N 3.49Å; E111-M113 VanDerWaalsContact C-N 3.35Å; E111-M113 PolarHBondContact O-N 3.44Å; M113-L115 VanDerWaalsContact C-N 3.31Å; M113-L115 PolarHBondContact O-N 3.06Å; M113-C116 PolarHBondContact O-N 2.91Å; M113-E117 WeakPolarHBondContact O-CG 3.35Å; M113-E117 PolarHBondContact O-N 3.14Å
114I85Confident76.9Confident29 Ų2971.7 Ų71.715%0.14936%0.359CS..Hα-helixtrans-60.5-41.9178.1-67.7163.1000110.9M7 V10 M14 L22 Q110 E111 E117 K118M7-I114 HydrophobicContact CE-CD1 4.4Å; M7-I114 HydrophobicContact CE-CG2 4.48Å; M7-I114 HydrophobicContact SD-CG2 4.42Å; V10-I114 HydrophobicContact CG1-CG2 3.72Å; M14-I114 HydrophobicContact CE-CD1 4.34Å; M14-I114 HydrophobicContact CE-CG2 4.32Å; L22-I114 HydrophobicContact CD1-CD1 4.49Å; L22-I114 HydrophobicContact CD2-CD1 3.92Å; Q110-I114 WeakPolarHBondContact O-CD1 3.45Å; Q110-I114 VanDerWaalsContact O-CG1 3.29Å; Q110-I114 WeakPolarHBondContact O-CG1 3.43Å; Q110-I114 PolarHBondContact O-N 2.82Å; E111-I114 PolarHBondContact O-N 3.32Å; I114-E117 PolarHBondContact O-N 2.72Å; I114-K118 WeakPolarHBondContact O-CB 3.21Å; I114-K118 PolarHBondContact O-N 3.09Å; I114-K118 VanDerWaalsContact O-N 3.08Å
115L83.3Confident74.4Confident16 Ų1679.1 Ų79.18%0.08439%0.394CS..Hα-helixtrans-66.6-39.5176.4-67.7173.5000112.1Q3 E6 M7 V10 E111 K112 M113 K118 L119Q3-L115 HydrophobicContact CG-CD1 4.06Å; E6-L115 HydrophobicContact CB-CD1 4.34Å; E6-L115 HydrophobicContact CB-CD2 3.8Å; M7-L115 HydrophobicContact CG-CD1 4.13Å; M7-L115 HydrophobicContact CG-CD2 4.47Å; M7-L115 HydrophobicContact CG-CG 4.36Å; M7-L115 HydrophobicContact SD-CD1 4.17Å; M7-L115 HydrophobicContact SD-CD2 3.94Å; M7-L115 HydrophobicContact SD-CG 3.77Å; V10-L115 HydrophobicContact CG2-CD2 4.07Å; E111-L115 VanDerWaalsContact O-CG 3.3Å; E111-L115 WeakPolarHBondContact O-CG 3.27Å; E111-L115 PolarHBondContact O-N 3.28Å; K112-L115 PolarHBondContact O-N 3.42Å; M113-L115 VanDerWaalsContact C-N 3.31Å; M113-L115 PolarHBondContact O-N 3.06Å; L115-K118 WeakPolarHBondContact O-CB 3.4Å; L115-K118 PolarHBondContact O-N 3.46Å; L115-L119 WeakPolarHBondContact O-CG 3.21Å; L115-L119 PolarHBondContact O-N 2.89Å
116C79.1Confident71.7Confident81 Ų8180.4 Ų80.455%0.54742%0.418SS..Hα-helixtrans-65.5-42.3174.8-76.80000112.7K112 M113 K118 L119 A120K112-C116 WeakPolarHBondContact O-CB 3.43Å; K112-C116 PolarHBondContact O-N 3.32Å; K112-C116 PolarHBondContact O-SG 3.42Å; M113-C116 PolarHBondContact O-N 2.91Å; C116-K118 VanDerWaalsContact C-N 3.32Å; C116-K118 PolarHBondContact O-N 3.24Å; C116-L119 PolarHBondContact O-N 2.64Å; C116-L119 VanDerWaalsContact O-N 3.17Å; C116-A120 PolarHBondContact O-N 3.28Å
117E75.8Confident69.1Low104 Ų10486.6 Ų86.649%0.48644%0.442SS..Hα-helixtrans-59.8-42.9174.4-75.3175.3178.700111.2M113 I114 L119 A120 N121M113-E117 WeakPolarHBondContact O-CG 3.35Å; M113-E117 PolarHBondContact O-N 3.14Å; I114-E117 PolarHBondContact O-N 2.72Å; E117-L119 VanDerWaalsContact C-N 3.33Å; E117-L119 PolarHBondContact O-N 2.85Å; E117-A120 PolarHBondContact O-N 3.44Å; E117-N121 PolarHBondContact O-N 2.82Å
118K69.3Low66.9Low58 Ų5889.6 Ų89.625%0.25246%0.46SS..Hα-helixtrans-61-39.9174.2-172.8-175.1-176.7-173.30112.3V10 I114 L115 C116 K122V10-K118 HydrophobicContact CG2-CD 3.76Å; I114-K118 WeakPolarHBondContact O-CB 3.21Å; I114-K118 PolarHBondContact O-N 3.09Å; I114-K118 VanDerWaalsContact O-N 3.08Å; L115-K118 WeakPolarHBondContact O-CB 3.4Å; L115-K118 PolarHBondContact O-N 3.46Å; C116-K118 VanDerWaalsContact C-N 3.32Å; C116-K118 PolarHBondContact O-N 3.24Å; K118-K122 WeakPolarHBondContact O-CB 3.26Å; K118-K122 WeakPolarHBondContact O-CG 3.44Å; K118-K122 PolarHBondContact O-N 3.22Å; K118-K122 VanDerWaalsContact O-N 3.08Å
119L60.8Low64.9Low101 Ų10192.9 Ų92.953%0.52948%0.483SS..Hα-helixtrans-70.5-33.6176.9-72.3169.3000112.7L115 C116 E117 R123L115-L119 WeakPolarHBondContact O-CG 3.21Å; L115-L119 PolarHBondContact O-N 2.89Å; C116-L119 PolarHBondContact O-N 2.64Å; C116-L119 VanDerWaalsContact O-N 3.17Å; E117-L119 VanDerWaalsContact C-N 3.33Å; E117-L119 PolarHBondContact O-N 2.85Å; L119-R123 PolarHBondContact O-N 3.43Å
120A55.2Low63.4Low58 Ų5888.4 Ų88.448%0.47947%0.468SS..Hα-helixtrans-69.9-43.6175.400000111.6C116 E117 K122 R123 A124C116-A120 PolarHBondContact O-N 3.28Å; E117-A120 PolarHBondContact O-N 3.44Å; A120-K122 VanDerWaalsContact C-N 3.33Å; A120-K122 PolarHBondContact O-N 2.93Å; A120-R123 PolarHBondContact O-N 3.23Å; A120-A124 PolarHBondContact O-N 2.87Å
121N54.7Low62.2Low113 Ų11388.2 Ų88.260%0.60447%0.466SS*.Hα-helixtrans-64.2-37.3175.5-71-10.8000111.9E117 R123 A124 E125E117-N121 PolarHBondContact O-N 2.82Å; N121-R123 PolarHBondContact O-N 2.97Å; N121-A124 PolarHBondContact O-N 3.45Å; N121-E125 PolarHBondContact O-N 3.2Å
122K50.1Low61.3Low98 Ų9894 Ų9443%0.42649%0.493SS..Hα-helixtrans-63.4-14.7171.4-83.6-174.4172.5-164.80115.4K118 A120 E125K118-K122 WeakPolarHBondContact O-CB 3.26Å; K118-K122 WeakPolarHBondContact O-CG 3.44Å; K118-K122 PolarHBondContact O-N 3.22Å; K118-K122 VanDerWaalsContact O-N 3.08Å; A120-K122 VanDerWaalsContact C-N 3.33Å; A120-K122 PolarHBondContact O-N 2.93Å; K122-E125 VanDerWaalsContact O-O 3.08Å
123R44.2Very low60.8Low225 Ų22591.8 Ų91.885%0.84948%0.484SS*.Hα-helixtrans-96.8-20.7177-74.9179.3-180-177.21112.8L119 A120 N121L119-R123 PolarHBondContact O-N 3.43Å; A120-R123 PolarHBondContact O-N 3.23Å; N121-R123 PolarHBondContact O-N 2.97Å
124A43.7Very low60.6Low91 Ų9186.6 Ų86.675%0.75246%0.459SS*.Hα-helixtrans-86.2-31.7177.900000112.3A120 N121A120-A124 PolarHBondContact O-N 2.87Å; N121-A124 PolarHBondContact O-N 3.45Å
125E39.6Very low60.5Low156 Ų15686.9 Ų86.973%0.72946%0.463SS*.SBendtrans-96.2116.2166.7-68.9173.7174.500107.6N121 K122 K127N121-E125 PolarHBondContact O-N 3.2Å; K122-E125 VanDerWaalsContact O-O 3.08Å; E125-K127 PolarHBondContact O-N 3.43Å
126G38.4Very low60.8Low61 Ų6189.1 Ų89.163%0.62947%0.472SS*.  trans-50.4141.7177.300000110.8T128G126-T128 PolarHBondContact O-N 3.23Å
127K36.8Very low61.3Low188 Ų18885.3 Ų85.382%0.81745%0.447SS*.  trans-49.499.4178.3-71.3-175.6176.4-171.60110.4E125E125-K127 PolarHBondContact O-N 3.43Å
128T48.9Very low62Low66 Ų6683 Ų8341%0.40544%0.435SS..  trans-83.5124.4167.850.80000107.3G126 D130 F131G126-T128 PolarHBondContact O-N 3.23Å; T128-D130 PolarHBondContact O-N 3.01Å; T128-D130 VanDerWaalsContact O-N 3.08Å; T128-F131 PolarHBondContact O-N 2.85Å
129P50.9Low62.9Low86 Ų8683.8 Ų83.856%0.55844%0.442SS*.Hα-helixtrans-51.1-30.6175.4-25.833.5000112.8F131 E132 E133P129-F131 VanDerWaalsContact C-N 3.3Å; P129-F131 PolarHBondContact O-N 2.91Å; P129-E132 PolarHBondContact O-N 3.42Å; P129-E133 PolarHBondContact O-N 3.31Å
130D60.7Low64.3Low17 Ų1779.3 Ų79.39%0.09142%0.419CS..Hα-helixtrans-53.9-38.4-177.2-45.9-20.9000113.5T128 L134 H249 W253T128-D130 PolarHBondContact O-N 3.01Å; T128-D130 VanDerWaalsContact O-N 3.08Å; D130-L134 WeakPolarHBondContact O-CB 3.29Å; D130-L134 PolarHBondContact O-N 3.32Å; D130-H249 IonicContact OD2-CE1 2.77Å; D130-W253 HydrophobicContact CB-CD2 4.47Å; D130-W253 HydrophobicContact CB-CE3 4.35Å; D130-W253 HydrophobicContact CB-CH2 3.69Å; D130-W253 HydrophobicContact CB-CZ2 3.8Å; D130-W253 HydrophobicContact CB-CZ3 3.96Å; D130-W253 WeakPolarHBondContact OD1-CH2 3.46Å; D130-W253 WeakPolarHBondContact OD2-CH2 3.44Å; D130-W253 WeakPolarHBondContact OD2-CZ3 3.5Å
131F64Low66Low89 Ų8976.9 Ų76.939%0.3940%0.398SS..Hα-helixtrans-75.4-33.7-176.4-168-90.8000113.2T128 P129 S135T128-F131 PolarHBondContact O-N 2.85Å; P129-F131 VanDerWaalsContact C-N 3.3Å; P129-F131 PolarHBondContact O-N 2.91Å; F131-S135 WeakPolarHBondContact O-CB 3.45Å; F131-S135 PolarHBondContact O-N 3.14Å; F131-S135 VanDerWaalsContact O-N 3.08Å
132E72.3Confident67.8Low122 Ų12277.6 Ų77.657%0.5740%0.396SS*.Hα-helixtrans-71.7-42.7178.6-70.4-175.3175.300110.8P129 S135 F136P129-E132 PolarHBondContact O-N 3.42Å; E132-S135 PolarHBondContact O-N 3Å; E132-S135 PolarHBondContact O-OG 3.25Å; E132-F136 PolarHBondContact O-N 3.25Å
133E77.8Confident69.7Low51 Ų5176.8 Ų76.824%0.23839%0.394CS..Hα-helixtrans-60.7-47.8175.9-68.3-177173.100112P129 S135 F136 L137 N222P129-E133 PolarHBondContact O-N 3.31Å; E133-S135 VanDerWaalsContact C-N 3.3Å; E133-S135 PolarHBondContact O-N 2.97Å; E133-F136 WeakPolarHBondContact O-CB 3.44Å; E133-F136 PolarHBondContact O-N 3.47Å; E133-L137 WeakPolarHBondContact O-CG 3.45Å; E133-L137 PolarHBondContact O-N 3.16Å; E133-L137 VanDerWaalsContact O-N 3.07Å; E133-N222 PolarHBondContact OE2-ND2 2.78Å
134L82.9Confident72Confident9 Ų966.1 Ų66.15%0.04735%0.353CS..Hα-helixtrans-59.9-39.5175.4-94.5158.6000112.6D130 F136 L137 K138 W253 Q256D130-L134 WeakPolarHBondContact O-CB 3.29Å; D130-L134 PolarHBondContact O-N 3.32Å; L134-F136 VanDerWaalsContact C-N 3.34Å; L134-L137 PolarHBondContact O-N 2.94Å; L134-K138 WeakPolarHBondContact O-CG 3.43Å; L134-K138 PolarHBondContact O-N 3.19Å; L134-W253 HydrophobicContact CD1-CG 4.25Å; L134-Q256 HydrophobicContact CD2-CB 3.53Å
135S83Confident74.4Confident35 Ų3564.3 Ų64.325%0.24533%0.329CS..Hα-helixtrans-64.8-39.3177.877.50000112.2F131 E132 E133 N139F131-S135 WeakPolarHBondContact O-CB 3.45Å; F131-S135 PolarHBondContact O-N 3.14Å; F131-S135 VanDerWaalsContact O-N 3.08Å; E132-S135 PolarHBondContact O-N 3Å; E132-S135 PolarHBondContact O-OG 3.25Å; E133-S135 VanDerWaalsContact C-N 3.3Å; E133-S135 PolarHBondContact O-N 2.97Å; S135-N139 WeakPolarHBondContact O-CB 3.34Å; S135-N139 PolarHBondContact O-N 2.94Å
136F88Confident76.8Confident63 Ų6359.4 Ų59.428%0.27631%0.308SS..Hα-helixtrans-62.1-46.6174.5173.8-84000111.2E132 E133 L134 N139 T140 E211 K215E132-F136 PolarHBondContact O-N 3.25Å; E133-F136 WeakPolarHBondContact O-CB 3.44Å; E133-F136 PolarHBondContact O-N 3.47Å; L134-F136 VanDerWaalsContact C-N 3.34Å; F136-N139 PolarHBondContact O-N 3.44Å; F136-T140 VanDerWaalsContact CE1-OG1 3.31Å; F136-T140 WeakPolarHBondContact CE1-OG1 3.43Å; F136-T140 WeakPolarHBondContact CZ-OG1 3.39Å; F136-T140 PolarHBondContact O-N 3.37Å; F136-T140 PolarHBondContact O-OG1 2.75Å; F136-E211 WeakPolarHBondContact CZ-OE1 3.27Å; F136-K215 HydrophobicContact CD1-CD 3.42Å; F136-K215 VanDerWaalsContact CD1-CD 3.42Å; F136-K215 HydrophobicContact CE1-CD 3.12Å; F136-K215 HydrophobicContact CE1-CG 4.44Å; F136-K215 VanDerWaalsContact CE1-NZ 3.32Å; F136-K215 HydrophobicContact CG-CD 4.3Å; F136-K215 HydrophobicContact CZ-CD 3.77Å
137L91.2Very high79.3Confident1 Ų159.7 Ų59.71%0.00529%0.29CS..Hα-helixtrans-60.8-48179.7-70173.5000111.6E133 L134 N139 T140 V141 T212 K215 L216 C219 V260E133-L137 WeakPolarHBondContact O-CG 3.45Å; E133-L137 PolarHBondContact O-N 3.16Å; E133-L137 VanDerWaalsContact O-N 3.07Å; L134-L137 PolarHBondContact O-N 2.94Å; L137-N139 PolarHBondContact O-N 3.42Å; L137-T140 PolarHBondContact O-N 3.46Å; L137-V141 WeakPolarHBondContact O-CG2 3.38Å; L137-V141 PolarHBondContact O-N 3.43Å; L137-T212 HydrophobicContact CD2-CG2 3.68Å; L137-K215 HydrophobicContact CD2-CB 3.91Å; L137-L216 HydrophobicContact CD1-CB 4.49Å; L137-L216 HydrophobicContact CD1-CD1 4.04Å; L137-L216 HydrophobicContact CD2-CB 4.13Å; L137-C219 HydrophobicContact CD1-CB 4.09Å; L137-V260 HydrophobicContact CB-CG1 4.02Å; L137-V260 HydrophobicContact CB-CG2 4.22Å
138K89.4Confident81.9Confident56 Ų5652.5 Ų52.524%0.24326%0.258CS..Hα-helixtrans-59.9-43.2176.9-72.4178.6179.5179.90112.3L134 T140 V141 F142 V260L134-K138 WeakPolarHBondContact O-CG 3.43Å; L134-K138 PolarHBondContact O-N 3.19Å; K138-T140 VanDerWaalsContact C-N 3.33Å; K138-T140 PolarHBondContact O-N 3.32Å; K138-V141 WeakPolarHBondContact O-CB 3.36Å; K138-V141 PolarHBondContact O-N 3.41Å; K138-F142 PolarHBondContact O-N 2.98Å; K138-F142 VanDerWaalsContact O-N 3.1Å; K138-V260 HydrophobicContact CG-CG2 4.12Å
139N89.3Confident84Confident74 Ų7456.1 Ų56.140%0.39627%0.268SS..Hα-helixtrans-63.3-40.5176.8-176.330.1000111.7S135 F136 L137 V141 F142 Q143S135-N139 WeakPolarHBondContact O-CB 3.34Å; S135-N139 PolarHBondContact O-N 2.94Å; F136-N139 PolarHBondContact O-N 3.44Å; L137-N139 PolarHBondContact O-N 3.42Å; N139-V141 VanDerWaalsContact C-N 3.34Å; N139-V141 PolarHBondContact O-N 2.77Å; N139-F142 WeakPolarHBondContact O-CB 3.25Å; N139-F142 PolarHBondContact O-N 3.38Å; N139-Q143 PolarHBondContact ND2-NE2 3.04Å; N139-Q143 VanDerWaalsContact ND2-NE2 3.19Å; N139-Q143 WeakPolarHBondContact O-CG 3.43Å; N139-Q143 PolarHBondContact O-N 3.28Å; N139-Q143 PolarHBondContact OD1-NE2 2.79Å
140T89.1Confident85.9Confident7 Ų757.9 Ų57.94%0.04326%0.264CS..Hα-helixtrans-68.2-36.4179.9-48.40000111.7F136 L137 K138 Q143 L144 M208 T212F136-T140 VanDerWaalsContact CE1-OG1 3.31Å; F136-T140 WeakPolarHBondContact CE1-OG1 3.43Å; F136-T140 WeakPolarHBondContact CZ-OG1 3.39Å; F136-T140 PolarHBondContact O-N 3.37Å; F136-T140 PolarHBondContact O-OG1 2.75Å; L137-T140 PolarHBondContact O-N 3.46Å; K138-T140 VanDerWaalsContact C-N 3.33Å; K138-T140 PolarHBondContact O-N 3.32Å; T140-Q143 PolarHBondContact O-N 3.45Å; T140-L144 PolarHBondContact O-N 2.93Å; T140-M208 HydrophobicContact CG2-CE 3.82Å; T140-T212 HydrophobicContact CG2-CG2 4.45Å; T140-T212 WeakPolarHBondContact CG2-OG1 3.49Å
141V91.6Very high87.3Confident6 Ų657.3 Ų57.34%0.03626%0.26CS..Hα-helixtrans-57.6-47.3169.4169.10000111L137 K138 N139 Q143 L144 Q145 V260 N263 L264L137-V141 WeakPolarHBondContact O-CG2 3.38Å; L137-V141 PolarHBondContact O-N 3.43Å; K138-V141 WeakPolarHBondContact O-CB 3.36Å; K138-V141 PolarHBondContact O-N 3.41Å; N139-V141 VanDerWaalsContact C-N 3.34Å; N139-V141 PolarHBondContact O-N 2.77Å; V141-Q143 VanDerWaalsContact C-N 3.32Å; V141-Q143 PolarHBondContact O-N 3.3Å; V141-L144 WeakPolarHBondContact O-CB 3Å; V141-L144 PolarHBondContact O-N 3.47Å; V141-Q145 VanDerWaalsContact O-CG 3.32Å; V141-Q145 WeakPolarHBondContact O-CG 3.15Å; V141-Q145 PolarHBondContact O-N 2.74Å; V141-V260 HydrophobicContact CG2-CG1 4.19Å; V141-N263 HydrophobicContact CG1-CB 3.63Å; V141-N263 HydrophobicContact CG2-CB 4.45Å; V141-L264 HydrophobicContact CG2-CD2 3.8Å; V141-L264 HydrophobicContact CG2-CG 3.91Å
142F91.3Very high88.5Confident128 Ų12856.8 Ų56.856%0.56126%0.259SS*.Hα-helixtrans-60.6-41.4177.8178.3-97.5000112.4K138 N139 Q145 D146K138-F142 PolarHBondContact O-N 2.98Å; K138-F142 VanDerWaalsContact O-N 3.1Å; N139-F142 WeakPolarHBondContact O-CB 3.25Å; N139-F142 PolarHBondContact O-N 3.38Å; F142-Q145 WeakPolarHBondContact O-CB 2.94Å; F142-Q145 PolarHBondContact O-N 2.85Å; F142-D146 PolarHBondContact O-N 2.84Å
143Q91.2Very high89.4Confident82 Ų8253.8 Ų53.838%0.38325%0.252SS..Hα-helixtrans-64.8-41.6176.1-68.1174.938.400111.8N139 T140 V141 Q145 D146 R147 M208N139-Q143 PolarHBondContact ND2-NE2 3.04Å; N139-Q143 VanDerWaalsContact ND2-NE2 3.19Å; N139-Q143 WeakPolarHBondContact O-CG 3.43Å; N139-Q143 PolarHBondContact O-N 3.28Å; N139-Q143 PolarHBondContact OD1-NE2 2.79Å; T140-Q143 PolarHBondContact O-N 3.45Å; V141-Q143 VanDerWaalsContact C-N 3.32Å; V141-Q143 PolarHBondContact O-N 3.3Å; Q143-Q145 VanDerWaalsContact C-N 3.3Å; Q143-Q145 PolarHBondContact O-N 2.8Å; Q143-D146 PolarHBondContact O-N 3.19Å; Q143-R147 WeakPolarHBondContact O-CG 2.85Å; Q143-R147 PolarHBondContact O-N 3.26Å; Q143-M208 HydrophobicContact CB-CE 3.4Å
144L92.4Very high90Very high0 Ų051.7 Ų51.70%024%0.242CC..Hα-helixtrans-59.8-41.6173.9-78.7169000111.6T140 V141 D146 R147 R148 C205 M208 F209 L264 E267T140-L144 PolarHBondContact O-N 2.93Å; V141-L144 WeakPolarHBondContact O-CB 3Å; V141-L144 PolarHBondContact O-N 3.47Å; L144-D146 VanDerWaalsContact C-N 3.32Å; L144-D146 PolarHBondContact O-N 3.28Å; L144-R147 PolarHBondContact O-N 3.13Å; L144-R148 WeakPolarHBondContact O-CB 3.21Å; L144-R148 PolarHBondContact O-N 3.02Å; L144-C205 HydrophobicContact CD2-CB 4.14Å; L144-M208 HydrophobicContact CD2-CB 3.88Å; L144-M208 HydrophobicContact CD2-CE 4.25Å; L144-M208 HydrophobicContact CD2-SD 4.17Å; L144-M208 HydrophobicContact CG-CB 4.36Å; L144-M208 HydrophobicContact CG-CE 3.98Å; L144-F209 HydrophobicContact CD1-CD1 4.26Å; L144-F209 HydrophobicContact CD1-CD2 4.47Å; L144-F209 HydrophobicContact CD1-CE1 4.05Å; L144-F209 HydrophobicContact CD1-CE2 4.25Å; L144-F209 HydrophobicContact CD1-CG 4.46Å; L144-F209 HydrophobicContact CD1-CZ 4.04Å; L144-F209 HydrophobicContact CD2-CD2 4.04Å; L144-F209 HydrophobicContact CD2-CE2 3.89Å; L144-F209 HydrophobicContact CD2-CZ 4.43Å; L144-L264 HydrophobicContact CD1-CD2 3.52Å; L144-E267 HydrophobicContact CB-CG 4.36Å
145Q92.7Very high90.2Very high54 Ų5456.6 Ų56.625%0.25226%0.263SS..Hα-helixtrans-60-40.9176.2-73.3178.2-1300112.7V141 F142 Q143 R148 K149 E267V141-Q145 VanDerWaalsContact O-CG 3.32Å; V141-Q145 WeakPolarHBondContact O-CG 3.15Å; V141-Q145 PolarHBondContact O-N 2.74Å; F142-Q145 WeakPolarHBondContact O-CB 2.94Å; F142-Q145 PolarHBondContact O-N 2.85Å; Q143-Q145 VanDerWaalsContact C-N 3.3Å; Q143-Q145 PolarHBondContact O-N 2.8Å; Q145-R148 VanDerWaalsContact CB-NH2 3.28Å; Q145-R148 PolarHBondContact O-NH2 3.41Å; Q145-K149 WeakPolarHBondContact O-CG 3.31Å; Q145-K149 PolarHBondContact O-N 3.46Å; Q145-E267 HydrophobicContact CG-CG 4.13Å; Q145-E267 VanDerWaalsContact CG-OE1 3.28Å; Q145-E267 WeakPolarHBondContact CG-OE1 3.48Å
146D91.5Very high90.6Very high53 Ų5361.5 Ų61.528%0.28328%0.282SS..Hα-helixtrans-65.5-44.4174.6-177.461.1000111.4F142 Q143 L144 R148 K149 R150F142-D146 PolarHBondContact O-N 2.84Å; Q143-D146 PolarHBondContact O-N 3.19Å; L144-D146 VanDerWaalsContact C-N 3.32Å; L144-D146 PolarHBondContact O-N 3.28Å; D146-R148 PolarHBondContact O-N 3.48Å; D146-K149 WeakPolarHBondContact O-CB 3.37Å; D146-K149 PolarHBondContact O-N 2.78Å; D146-K149 VanDerWaalsContact O-N 3.13Å; D146-R150 WeakPolarHBondContact O-CG 3.24Å; D146-R150 PolarHBondContact O-N 3.17Å; D146-R150 IonicContact OD1-NE 3.09Å; D146-R150 IonicContact OD2-CZ 3.26Å; D146-R150 IonicContact OD2-NE 3.99Å; D146-R150 PolarHBondContact OD2-NE 2.88Å; D146-R150 IonicContact OD2-NH2 2.73Å; D146-R150 PolarHBondContact OD2-NH2 3.05Å
147R90.5Very high90.7Very high67 Ų6762.1 Ų62.125%0.25329%0.288SS..Hα-helixtrans-63-40.5177.1-63.7-56.3176.6148.14.8112.8Q143 L144 K149 R150 F151 E204 M208Q143-R147 WeakPolarHBondContact O-CG 2.85Å; Q143-R147 PolarHBondContact O-N 3.26Å; L144-R147 PolarHBondContact O-N 3.13Å; R147-K149 VanDerWaalsContact C-N 3.34Å; R147-K149 PolarHBondContact O-N 3.38Å; R147-R150 PolarHBondContact O-N 3.39Å; R147-F151 WeakPolarHBondContact O-CB 3.03Å; R147-F151 PolarHBondContact O-N 3.44Å; R147-E204 IonicContact CZ-OE2 2.68Å; R147-E204 VanDerWaalsContact CZ-OE2 3.26Å; R147-E204 IonicContact NE-OE2 3.73Å; R147-E204 IonicContact NH1-OE2 2.61Å; R147-E204 PolarHBondContact NH1-OE2 3.16Å; R147-E204 IonicContact NH2-OE2 3.65Å; R147-M208 HydrophobicContact CG-SD 4.47Å
148R91.8Very high90.6Very high37 Ų3762.7 Ų62.714%0.1429%0.291CS..Hα-helixtrans-58-44.5171.6176.8-153.648-151.7-24.8111.4L144 Q145 D146 F151 H152 E267 L270 I271L144-R148 WeakPolarHBondContact O-CB 3.21Å; L144-R148 PolarHBondContact O-N 3.02Å; Q145-R148 VanDerWaalsContact CB-NH2 3.28Å; Q145-R148 PolarHBondContact O-NH2 3.41Å; D146-R148 PolarHBondContact O-N 3.48Å; R148-F151 WeakPolarHBondContact O-CB 3.44Å; R148-F151 PolarHBondContact O-N 3.47Å; R148-H152 PolarHBondContact O-CD2 3.43Å; R148-H152 VanDerWaalsContact O-CD2 3.25Å; R148-H152 PolarHBondContact O-N 2.97Å; R148-E267 WeakPolarHBondContact CD-OE2 3.33Å; R148-E267 VanDerWaalsContact CZ-CD 3.48Å; R148-E267 IonicContact CZ-OE1 3.7Å; R148-E267 IonicContact CZ-OE2 3.82Å; R148-E267 IonicContact NE-OE2 2.95Å; R148-E267 PolarHBondContact NE-OE2 2.73Å; R148-E267 VanDerWaalsContact NH1-CD 3.28Å; R148-E267 IonicContact NH1-OE1 3.94Å; R148-E267 PolarHBondContact NH1-OE1 3.12Å; R148-E267 IonicContact NH1-OE2 2.66Å; R148-E267 PolarHBondContact NH1-OE2 3.44Å; R148-E267 VanDerWaalsContact NH1-OE2 3.13Å; R148-E267 IonicContact NH2-OE1 3.73Å; R148-E267 PolarHBondContact NH2-OE1 3.05Å; R148-E267 IonicContact NH2-OE2 3.24Å; R148-E267 PolarHBondContact NH2-OE2 2.93Å; R148-L270 HydrophobicContact CG-CB 4.31Å; R148-L270 VanDerWaalsContact NH1-CD1 3.26Å; R148-I271 HydrophobicContact CB-CD1 4.08Å; R148-I271 HydrophobicContact CB-CG1 3.86Å; R148-I271 HydrophobicContact CG-CG1 3.94Å
149K91.8Very high90.7Very high141 Ų14164.7 Ų64.761%0.61331%0.305SS*.Hα-helixtrans-61.1-45.7177.3-72.5175.6-178.6179.60111.5Q145 D146 R147 F151 H152 S153Q145-K149 WeakPolarHBondContact O-CG 3.31Å; Q145-K149 PolarHBondContact O-N 3.46Å; D146-K149 WeakPolarHBondContact O-CB 3.37Å; D146-K149 PolarHBondContact O-N 2.78Å; D146-K149 VanDerWaalsContact O-N 3.13Å; R147-K149 VanDerWaalsContact C-N 3.34Å; R147-K149 PolarHBondContact O-N 3.38Å; K149-F151 VanDerWaalsContact C-N 3.3Å; K149-F151 PolarHBondContact O-N 3.15Å; K149-H152 PolarHBondContact O-N 3.01Å; K149-S153 PolarHBondContact O-N 2.95Å
150R90.9Very high90.7Very high124 Ų12469 Ų6947%0.46832%0.316SS..Hα-helixtrans-61.4-39175.1-64.7-179.1-162.9-163.41.4112.2D146 R147 S153 C154 L201D146-R150 WeakPolarHBondContact O-CG 3.24Å; D146-R150 PolarHBondContact O-N 3.17Å; D146-R150 IonicContact OD1-NE 3.09Å; D146-R150 IonicContact OD2-CZ 3.26Å; D146-R150 IonicContact OD2-NE 3.99Å; D146-R150 PolarHBondContact OD2-NE 2.88Å; D146-R150 IonicContact OD2-NH2 2.73Å; D146-R150 PolarHBondContact OD2-NH2 3.05Å; R147-R150 PolarHBondContact O-N 3.39Å; R150-S153 PolarHBondContact O-N 3.36Å; R150-C154 WeakPolarHBondContact O-CB 3.34Å; R150-C154 PolarHBondContact O-N 3.38Å; R150-L201 HydrophobicContact CB-CD1 4.32Å
151F90.9Very high90.8Very high5 Ų569.8 Ų69.82%0.02232%0.319CS..Hα-helixtrans-60.7-46.8175.1175.5-86.5000111.7R147 R148 K149 C154 K155 Q198 I202 P272R147-F151 WeakPolarHBondContact O-CB 3.03Å; R147-F151 PolarHBondContact O-N 3.44Å; R148-F151 WeakPolarHBondContact O-CB 3.44Å; R148-F151 PolarHBondContact O-N 3.47Å; K149-F151 VanDerWaalsContact C-N 3.3Å; K149-F151 PolarHBondContact O-N 3.15Å; F151-C154 PolarHBondContact O-N 3.46Å; F151-K155 HydrophobicContact CE1-CD 4.36Å; F151-K155 WeakPolarHBondContact O-CB 3.45Å; F151-K155 PolarHBondContact O-N 3.34Å; F151-Q198 HydrophobicContact CD2-CG 3.83Å; F151-Q198 HydrophobicContact CE2-CG 3.29Å; F151-Q198 HydrophobicContact CZ-CG 4.05Å; F151-I202 HydrophobicContact CD2-CG1 4.09Å; F151-I202 HydrophobicContact CE2-CD1 3.75Å; F151-I202 HydrophobicContact CE2-CG1 3.72Å; F151-I202 HydrophobicContact CZ-CD1 4.5Å; F151-P272 HydrophobicContact CE1-CG 3.38Å; F151-P272 HydrophobicContact CE2-CG 4.28Å; F151-P272 HydrophobicContact CZ-CG 3.24Å
152H89.6Confident90.7Very high77 Ų7772.7 Ų72.736%0.35633%0.333SS..Hα-helixtrans-62.3-45.4176.4-78.8-68.7000112.2R148 K149 C154 K155 E156R148-H152 PolarHBondContact O-CD2 3.43Å; R148-H152 VanDerWaalsContact O-CD2 3.25Å; R148-H152 PolarHBondContact O-N 2.97Å; K149-H152 PolarHBondContact O-N 3.01Å; H152-C154 VanDerWaalsContact C-N 3.35Å; H152-C154 PolarHBondContact O-N 3.08Å; H152-K155 WeakPolarHBondContact O-CB 3.45Å; H152-K155 PolarHBondContact O-N 3.24Å; H152-K155 VanDerWaalsContact O-N 3.14Å; H152-E156 PolarHBondContact O-N 3.24Å
153S90.1Very high90.8Very high60 Ų6070 Ų7042%0.4233%0.327SS..Hα-helixtrans-57.5-47.8175.4-170.50000111.4K149 R150 K155 E156 D157K149-S153 PolarHBondContact O-N 2.95Å; R150-S153 PolarHBondContact O-N 3.36Å; S153-K155 VanDerWaalsContact C-N 3.27Å; S153-K155 PolarHBondContact O-N 3.49Å; S153-E156 PolarHBondContact O-N 3.36Å; S153-E156 VanDerWaalsContact O-N 3.16Å; S153-D157 VanDerWaalsContact O-CG 3.3Å; S153-D157 PolarHBondContact O-N 3.47Å
154C90.5Very high90.7Very high6 Ų668.7 Ų68.74%0.04132%0.322CS..Hα-helixtrans-62.3-35.7178.2-174.60000112R150 F151 H152 D157 I158 L194R150-C154 WeakPolarHBondContact O-CB 3.34Å; R150-C154 PolarHBondContact O-N 3.38Å; F151-C154 PolarHBondContact O-N 3.46Å; H152-C154 VanDerWaalsContact C-N 3.35Å; H152-C154 PolarHBondContact O-N 3.08Å; C154-D157 PolarHBondContact O-N 2.67Å; C154-I158 WeakPolarHBondContact O-CD1 3.32Å; C154-I158 WeakPolarHBondContact O-CG1 3.5Å; C154-I158 PolarHBondContact O-N 3.04Å; C154-L194 PolarHBondContact SG-O 2.95Å
155K88.5Confident90.7Very high113 Ų11371 Ų7149%0.49133%0.332SS..Hα-helixtrans-66.6-41174.9-175.1178.6177.2178.30112.1F151 H152 S153 I158 N159F151-K155 HydrophobicContact CE1-CD 4.36Å; F151-K155 WeakPolarHBondContact O-CB 3.45Å; F151-K155 PolarHBondContact O-N 3.34Å; H152-K155 WeakPolarHBondContact O-CB 3.45Å; H152-K155 PolarHBondContact O-N 3.24Å; H152-K155 VanDerWaalsContact O-N 3.14Å; S153-K155 VanDerWaalsContact C-N 3.27Å; S153-K155 PolarHBondContact O-N 3.49Å; K155-I158 PolarHBondContact O-N 3.28Å; K155-N159 WeakPolarHBondContact O-CB 3.43Å; K155-N159 PolarHBondContact O-N 3.28Å
156E91Very high90.6Very high138 Ų13873.8 Ų73.865%0.64535%0.346SS*.Hα-helixtrans-63.6-43.1174.6-71.7178.4171.900111.2H152 S153 I158 N159 W160H152-E156 PolarHBondContact O-N 3.24Å; S153-E156 PolarHBondContact O-N 3.36Å; S153-E156 VanDerWaalsContact O-N 3.16Å; E156-I158 PolarHBondContact O-N 3.46Å; E156-N159 PolarHBondContact O-N 3.36Å; E156-W160 WeakPolarHBondContact O-CB 3.2Å; E156-W160 PolarHBondContact O-N 3.34Å
157D90Very high90.6Very high75 Ų7574 Ų7440%0.40135%0.354SS..Hα-helixtrans-61.2-44.6175.2-66-29.8000111.8S153 C154 N159 W160 E161 L194S153-D157 VanDerWaalsContact O-CG 3.3Å; S153-D157 PolarHBondContact O-N 3.47Å; C154-D157 PolarHBondContact O-N 2.67Å; D157-N159 VanDerWaalsContact C-N 3.32Å; D157-N159 PolarHBondContact O-N 3.44Å; D157-W160 PolarHBondContact O-N 2.96Å; D157-E161 WeakPolarHBondContact O-CB 3.28Å; D157-E161 WeakPolarHBondContact O-CG 3.5Å; D157-E161 PolarHBondContact O-N 3.5Å; D157-L194 HydrophobicContact CB-CD1 4.1Å; D157-L194 HydrophobicContact CB-CD2 4.44Å
158I89.1Confident90.6Very high13 Ų1372.8 Ų72.87%0.06735%0.353CS..Hα-helixtrans-58.1-47.8174.7-70.2163.6000109.9C154 K155 E156 W160 E161 M162 L194 K195 Q198C154-I158 WeakPolarHBondContact O-CD1 3.32Å; C154-I158 WeakPolarHBondContact O-CG1 3.5Å; C154-I158 PolarHBondContact O-N 3.04Å; K155-I158 PolarHBondContact O-N 3.28Å; E156-I158 PolarHBondContact O-N 3.46Å; I158-W160 PolarHBondContact O-N 3.1Å; I158-E161 PolarHBondContact O-N 3.23Å; I158-M162 HydrophobicContact CG2-CG 4.26Å; I158-M162 VanDerWaalsContact O-CG 3.22Å; I158-M162 WeakPolarHBondContact O-CG 3.4Å; I158-M162 PolarHBondContact O-N 3.12Å; I158-L194 HydrophobicContact CD1-CB 4.11Å; I158-L194 HydrophobicContact CG1-CB 3.49Å; I158-L194 VanDerWaalsContact CG1-CB 3.49Å; I158-L194 HydrophobicContact CG1-CD1 4.21Å; I158-L194 HydrophobicContact CG1-CG 4.45Å; I158-K195 HydrophobicContact CD1-CG 4.1Å; I158-Q198 HydrophobicContact CD1-CB 4.14Å
159N90.4Very high90.5Very high99 Ų9975.9 Ų75.953%0.52937%0.369SS..Hα-helixtrans-63.1-42.5-178.8-169.859.7000111.7K155 E156 D157 M162 V163K155-N159 WeakPolarHBondContact O-CB 3.43Å; K155-N159 PolarHBondContact O-N 3.28Å; E156-N159 PolarHBondContact O-N 3.36Å; D157-N159 VanDerWaalsContact C-N 3.32Å; D157-N159 PolarHBondContact O-N 3.44Å; N159-M162 PolarHBondContact O-N 3.04Å; N159-V163 WeakPolarHBondContact O-CG2 3.49Å; N159-V163 PolarHBondContact O-N 3.07Å
160W90.9Very high90.4Very high164 Ų16472 Ų7262%0.62136%0.36SS*.Hα-helixtrans-60-48.8175.5-179.1-104000112.1E156 D157 I158 M162 V163 N164E156-W160 WeakPolarHBondContact O-CB 3.2Å; E156-W160 PolarHBondContact O-N 3.34Å; D157-W160 PolarHBondContact O-N 2.96Å; I158-W160 PolarHBondContact O-N 3.1Å; W160-M162 VanDerWaalsContact C-N 3.34Å; W160-M162 PolarHBondContact O-N 3.16Å; W160-V163 PolarHBondContact O-N 3.47Å; W160-N164 PolarHBondContact NE1-ND2 3.24Å; W160-N164 VanDerWaalsContact NE1-ND2 3.13Å; W160-N164 PolarHBondContact O-N 2.97Å; W160-N164 PolarHBondContact O-ND2 3.42Å
161E90.2Very high90.2Very high23 Ų2370.1 Ų70.111%0.10736%0.361CS..Hα-helixtrans-67-33.6178.7-66.3-61.5163.300112.4D157 I158 N164 F165 K190 I191 L194D157-E161 WeakPolarHBondContact O-CB 3.28Å; D157-E161 WeakPolarHBondContact O-CG 3.5Å; D157-E161 PolarHBondContact O-N 3.5Å; I158-E161 PolarHBondContact O-N 3.23Å; E161-N164 PolarHBondContact O-N 3.4Å; E161-F165 VanDerWaalsContact O-CB 3.31Å; E161-F165 WeakPolarHBondContact O-CB 3.43Å; E161-F165 PolarHBondContact O-N 2.65Å; E161-K190 HydrophobicContact CG-CD 4.24Å; E161-K190 WeakPolarHBondContact OE1-CE 3.5Å; E161-K190 IonicContact OE1-NZ 2.68Å; E161-K190 PolarHBondContact OE1-NZ 2.9Å; E161-I191 HydrophobicContact CB-CD1 4.23Å; E161-I191 HydrophobicContact CB-CG1 3.64Å; E161-L194 HydrophobicContact CG-CD1 4.16Å
162M89.9Confident89.9Confident67 Ų6771.8 Ų71.833%0.3337%0.369SS..Hα-helixtrans-64.3-43.2173.3-69.5-141.5-48.800112I158 N159 W160 N164 F165 E166 I191I158-M162 HydrophobicContact CG2-CG 4.26Å; I158-M162 VanDerWaalsContact O-CG 3.22Å; I158-M162 WeakPolarHBondContact O-CG 3.4Å; I158-M162 PolarHBondContact O-N 3.12Å; N159-M162 PolarHBondContact O-N 3.04Å; W160-M162 VanDerWaalsContact C-N 3.34Å; W160-M162 PolarHBondContact O-N 3.16Å; M162-N164 VanDerWaalsContact C-N 3.33Å; M162-N164 PolarHBondContact O-N 3.39Å; M162-F165 WeakPolarHBondContact O-CB 3.38Å; M162-F165 PolarHBondContact O-N 2.95Å; M162-E166 WeakPolarHBondContact O-CG 3.36Å; M162-E166 PolarHBondContact O-N 3.34Å; M162-I191 HydrophobicContact CG-CD1 4.21Å; M162-I191 HydrophobicContact CG-CG2 4.35Å
163V92.2Very high89.7Confident72 Ų7272 Ų7244%0.43638%0.384SS..Hα-helixtrans-61.6-43.3175.8171.60000110.9N159 W160 F165 E166 A167N159-V163 WeakPolarHBondContact O-CG2 3.49Å; N159-V163 PolarHBondContact O-N 3.07Å; W160-V163 PolarHBondContact O-N 3.47Å; V163-F165 VanDerWaalsContact C-N 3.34Å; V163-F165 PolarHBondContact O-N 3.42Å; V163-E166 PolarHBondContact O-N 2.92Å; V163-A167 WeakPolarHBondContact O-CB 3.37Å; V163-A167 PolarHBondContact O-N 3.43Å
164N90Very high89.6Confident55 Ų5577 Ų7729%0.29440%0.398SS..Hα-helixtrans-63.1-41.3176-67.7-27.1000111.7W160 E161 M162 A167 L168 L187W160-N164 PolarHBondContact NE1-ND2 3.24Å; W160-N164 VanDerWaalsContact NE1-ND2 3.13Å; W160-N164 PolarHBondContact O-N 2.97Å; W160-N164 PolarHBondContact O-ND2 3.42Å; E161-N164 PolarHBondContact O-N 3.4Å; M162-N164 VanDerWaalsContact C-N 3.33Å; M162-N164 PolarHBondContact O-N 3.39Å; N164-A167 PolarHBondContact O-N 3.07Å; N164-L168 WeakPolarHBondContact O-CB 3.45Å; N164-L168 PolarHBondContact O-N 3.44Å; N164-L187 HydrophobicContact CB-CD2 3.67Å
165F92.1Very high89.2Confident48 Ų4881.1 Ų81.121%0.21142%0.423CS..Hα-helixtrans-61.9-47.1176.5-178.8-87.9000111.4E161 M162 V163 L168 Q169 L184 L187 I191E161-F165 VanDerWaalsContact O-CB 3.31Å; E161-F165 WeakPolarHBondContact O-CB 3.43Å; E161-F165 PolarHBondContact O-N 2.65Å; M162-F165 WeakPolarHBondContact O-CB 3.38Å; M162-F165 PolarHBondContact O-N 2.95Å; V163-F165 VanDerWaalsContact C-N 3.34Å; V163-F165 PolarHBondContact O-N 3.42Å; F165-L168 PolarHBondContact O-N 2.85Å; F165-Q169 WeakPolarHBondContact O-CB 3.49Å; F165-Q169 PolarHBondContact O-N 3.45Å; F165-L184 HydrophobicContact CD2-CD2 3.74Å; F165-L184 HydrophobicContact CE2-CB 4.18Å; F165-L184 HydrophobicContact CE2-CD2 3.64Å; F165-L184 WeakPolarHBondContact CE2-O 3.45Å; F165-L184 HydrophobicContact CG-CD2 4.26Å; F165-L184 HydrophobicContact CZ-CD2 4.08Å; F165-L187 HydrophobicContact CB-CB 4.47Å; F165-L187 HydrophobicContact CB-CD2 4.07Å; F165-L187 HydrophobicContact CD2-CB 3.93Å; F165-I191 HydrophobicContact CB-CD1 3.89Å; F165-I191 HydrophobicContact CD2-CD1 4.43Å; F165-I191 HydrophobicContact CG-CD1 4.24Å
166E91.6Very high89Confident113 Ų11380.7 Ų80.753%0.52843%0.433SS..Hα-helixtrans-62.7-42.7177.6-73.2175.3-17800112.2M162 V163 Q169 S170M162-E166 WeakPolarHBondContact O-CG 3.36Å; M162-E166 PolarHBondContact O-N 3.34Å; V163-E166 PolarHBondContact O-N 2.92Å; E166-Q169 PolarHBondContact O-N 3.26Å; E166-S170 WeakPolarHBondContact O-CB 3.46Å; E166-S170 PolarHBondContact O-N 3.25Å
167A91.1Very high88.9Confident56 Ų5676.8 Ų76.846%0.46342%0.42SS..Hα-helixtrans-61.3-48.5176.400000111.4V163 N164 Q169 S170 V171V163-A167 WeakPolarHBondContact O-CB 3.37Å; V163-A167 PolarHBondContact O-N 3.43Å; N164-A167 PolarHBondContact O-N 3.07Å; A167-Q169 VanDerWaalsContact C-N 3.33Å; A167-Q169 PolarHBondContact O-N 3.01Å; A167-S170 PolarHBondContact O-N 3.35Å; A167-V171 WeakPolarHBondContact O-CG2 3.42Å; A167-V171 PolarHBondContact O-N 2.78Å; A167-V171 VanDerWaalsContact O-N 3.14Å
168L89.9Confident88.6Confident43 Ų4380.6 Ų80.623%0.22544%0.436CS..Hα-helixtrans-66.4-35.8178.9-161.681.8000111.7N164 F165 V171 H172 E183 L184N164-L168 WeakPolarHBondContact O-CB 3.45Å; N164-L168 PolarHBondContact O-N 3.44Å; F165-L168 PolarHBondContact O-N 2.85Å; L168-V171 PolarHBondContact O-N 3.35Å; L168-H172 WeakPolarHBondContact O-CB 3.44Å; L168-H172 PolarHBondContact O-N 3.07Å; L168-E183 HydrophobicContact CD2-CB 3.59Å; L168-L184 HydrophobicContact CB-CD2 4.03Å; L168-L184 HydrophobicContact CD2-CD2 3.89Å; L168-L184 HydrophobicContact CD2-CG 3.78Å; L168-L184 HydrophobicContact CG-CD2 4.27Å; L168-L184 HydrophobicContact CG-CG 4.36Å
169Q90.1Very high88.4Confident101 Ų10185.9 Ų85.947%0.47246%0.46SS..Hα-helixtrans-65.4-41.5176.8-172.6-18037.600111.4F165 E166 A167 V171 H172 A173 L184F165-Q169 WeakPolarHBondContact O-CB 3.49Å; F165-Q169 PolarHBondContact O-N 3.45Å; E166-Q169 PolarHBondContact O-N 3.26Å; A167-Q169 VanDerWaalsContact C-N 3.33Å; A167-Q169 PolarHBondContact O-N 3.01Å; Q169-V171 VanDerWaalsContact C-N 3.34Å; Q169-H172 PolarHBondContact O-N 3.23Å; Q169-A173 WeakPolarHBondContact O-CB 3.25Å; Q169-A173 PolarHBondContact O-N 3.38Å; Q169-L184 HydrophobicContact CB-CD2 4.02Å
170S88.9Confident88.1Confident61 Ų6181.7 Ų81.743%0.42744%0.438SS..Hα-helixtrans-62.7-39.7174.5-175.70000112.2E166 A167 K174E166-S170 WeakPolarHBondContact O-CB 3.46Å; E166-S170 PolarHBondContact O-N 3.25Å; A167-S170 PolarHBondContact O-N 3.35Å; S170-K174 WeakPolarHBondContact O-CG 3.47Å; S170-K174 PolarHBondContact O-N 3.48Å
171V86.7Confident88Confident83 Ų8377.8 Ų77.850%0.50343%0.429SS..Hα-helixtrans-67.3-44.8175174.60000111.3A167 L168 Q169 A173 K174 T175A167-V171 WeakPolarHBondContact O-CG2 3.42Å; A167-V171 PolarHBondContact O-N 2.78Å; A167-V171 VanDerWaalsContact O-N 3.14Å; L168-V171 PolarHBondContact O-N 3.35Å; Q169-V171 VanDerWaalsContact C-N 3.34Å; V171-A173 VanDerWaalsContact C-N 3.34Å; V171-A173 PolarHBondContact O-N 3Å; V171-K174 PolarHBondContact O-N 3.38Å; V171-T175 PolarHBondContact O-N 3.21Å; V171-T175 PolarHBondContact O-OG1 3.48Å; V171-T175 VanDerWaalsContact O-OG1 3.06Å
172H85.6Confident88Confident40 Ų4084.3 Ų84.319%0.18545%0.453CS..Hα-helixtrans-62.6-39.1177.8-17578000112.2L168 Q169 K174 T175 P176 S177 S180 L184L168-H172 WeakPolarHBondContact O-CB 3.44Å; L168-H172 PolarHBondContact O-N 3.07Å; Q169-H172 PolarHBondContact O-N 3.23Å; H172-K174 VanDerWaalsContact C-N 3.26Å; H172-K174 PolarHBondContact O-N 3.35Å; H172-T175 CarbonylContact O-C 3.23Å; H172-T175 VanDerWaalsContact O-C 3.23Å; H172-T175 PolarHBondContact O-N 3.33Å; H172-P176 WeakPolarHBondContact O-CA 3.18Å; H172-S177 PolarHBondContact CE1-O 3.22Å; H172-S180 PolarHBondContact ND1-OG 2.94Å; H172-L184 HydrophobicContact CB-CD1 3.95Å
173A85.6Confident88Confident81 Ų8184.6 Ų84.667%0.66945%0.453SS*.Hα-helixtrans-63.3-30.8177.100000113Q169 V171Q169-A173 WeakPolarHBondContact O-CB 3.25Å; Q169-A173 PolarHBondContact O-N 3.38Å; V171-A173 VanDerWaalsContact C-N 3.34Å; V171-A173 PolarHBondContact O-N 3Å
174K86.9Confident87.9Confident165 Ų16581.9 Ų81.972%0.71744%0.437SS*.Hα-helixtrans-84.6-34176.3-67.5174.6-175.71750112.8S170 V171 H172S170-K174 WeakPolarHBondContact O-CG 3.47Å; S170-K174 PolarHBondContact O-N 3.48Å; V171-K174 PolarHBondContact O-N 3.38Å; H172-K174 VanDerWaalsContact C-N 3.26Å; H172-K174 PolarHBondContact O-N 3.35Å
175T83.4Confident88Confident93 Ų9385.1 Ų85.157%0.57145%0.45SS*.SBendtrans-142.489.3-175.924.90000109.9V171 H172 S177V171-T175 PolarHBondContact O-N 3.21Å; V171-T175 PolarHBondContact O-OG1 3.48Å; V171-T175 VanDerWaalsContact O-OG1 3.06Å; H172-T175 CarbonylContact O-C 3.23Å; H172-T175 VanDerWaalsContact O-C 3.23Å; H172-T175 PolarHBondContact O-N 3.33Å; T175-S177 PolarHBondContact O-N 3.02Å
176P84.6Confident88Confident105 Ų10589.1 Ų89.168%0.68247%0.471SS*.  trans-69.2128.5-176.4-18.330.9000111.6H172H172-P176 WeakPolarHBondContact O-CA 3.18Å
177S87.9Confident88.1Confident56 Ų5685.3 Ų85.339%0.39245%0.454SS..  trans-140.9149171.878.80000112H172 T175 H179 S180 L181H172-S177 PolarHBondContact CE1-O 3.22Å; T175-S177 PolarHBondContact O-N 3.02Å; S177-H179 PolarHBondContact O-N 3.29Å; S177-S180 PolarHBondContact N-OG 3.44Å; S177-S180 PolarHBondContact O-N 3.18Å; S177-S180 PolarHBondContact O-OG 3.41Å; S177-S180 WeakPolarHBondContact OG-CB 3.44Å; S177-S180 PolarHBondContact OG-N 3.39Å; S177-S180 PolarHBondContact OG-OG 2.95Å; S177-L181 PolarHBondContact O-N 3.35Å; S177-L181 VanDerWaalsContact O-N 3.09Å
178E83.9Confident88.2Confident154 Ų15485.4 Ų85.472%0.7245%0.451SS*.Hα-helixtrans-61-33.7176-78.6-166.7154.600112.5L181 R182E178-L181 PolarHBondContact O-N 3.18Å; E178-R182 PolarHBondContact O-N 3.05Å; E178-R182 VanDerWaalsContact O-N 3.08Å
179H84.8Confident88.4Confident124 Ų12489.5 Ų89.557%0.57447%0.467SS*.Hα-helixtrans-62.8-51.1177.3-174.1-83.3000111.6S177 L181 R182 E183S177-H179 PolarHBondContact O-N 3.29Å; H179-L181 VanDerWaalsContact C-N 3.29Å; H179-L181 PolarHBondContact O-N 3.28Å; H179-R182 PolarHBondContact O-N 2.67Å; H179-E183 IonicContact CE1-OE1 3.11Å; H179-E183 PolarHBondContact CE1-OE1 3.13Å; H179-E183 IonicContact CE1-OE2 3.5Å; H179-E183 IonicContact ND1-OE1 3.7Å; H179-E183 IonicContact ND1-OE2 3.23Å; H179-E183 PolarHBondContact ND1-OE2 3.4Å; H179-E183 PolarHBondContact O-N 3.02Å
180S85.1Confident88.5Confident11 Ų1189.3 Ų89.38%0.07747%0.465CS..Hα-helixtrans-66.2-31.1179.551.50000112.3H172 S177 L184H172-S180 PolarHBondContact ND1-OG 2.94Å; S177-S180 PolarHBondContact N-OG 3.44Å; S177-S180 PolarHBondContact O-N 3.18Å; S177-S180 PolarHBondContact O-OG 3.41Å; S177-S180 WeakPolarHBondContact OG-CB 3.44Å; S177-S180 PolarHBondContact OG-N 3.39Å; S177-S180 PolarHBondContact OG-OG 2.95Å; S180-L184 WeakPolarHBondContact O-CB 3.44Å; S180-L184 WeakPolarHBondContact O-CG 2.96Å; S180-L184 PolarHBondContact O-N 3.08Å
181L87.9Confident88.8Confident82 Ų8287.1 Ų87.143%0.42945%0.448SS..Hα-helixtrans-65.2-42172.1-17365.9000112.4S177 E178 H179 L184 Q185S177-L181 PolarHBondContact O-N 3.35Å; S177-L181 VanDerWaalsContact O-N 3.09Å; E178-L181 PolarHBondContact O-N 3.18Å; H179-L181 VanDerWaalsContact C-N 3.29Å; H179-L181 PolarHBondContact O-N 3.28Å; L181-L184 PolarHBondContact O-N 3.41Å; L181-Q185 WeakPolarHBondContact O-CG 3.34Å; L181-Q185 PolarHBondContact O-N 3.13Å
182R90.3Very high89.1Confident160 Ų16088.9 Ų88.960%0.60445%0.451SS*.Hα-helixtrans-65-42.3175.5-75.2-177.7-174.3173.45.1112E178 H179 Q185 M186E178-R182 PolarHBondContact O-N 3.05Å; E178-R182 VanDerWaalsContact O-N 3.08Å; H179-R182 PolarHBondContact O-N 2.67Å; R182-Q185 WeakPolarHBondContact O-CB 3.11Å; R182-Q185 PolarHBondContact O-N 3.24Å; R182-M186 WeakPolarHBondContact O-CG 3.36Å; R182-M186 PolarHBondContact O-N 3.1Å
183E89.4Confident89.5Confident73 Ų7392 Ų9234%0.34147%0.465SS..Hα-helixtrans-63.1-42.3176-75.1178.8144.300111.9L168 H179 Q185 M186 L187L168-E183 HydrophobicContact CD2-CB 3.59Å; H179-E183 IonicContact CE1-OE1 3.11Å; H179-E183 PolarHBondContact CE1-OE1 3.13Å; H179-E183 IonicContact CE1-OE2 3.5Å; H179-E183 IonicContact ND1-OE1 3.7Å; H179-E183 IonicContact ND1-OE2 3.23Å; H179-E183 PolarHBondContact ND1-OE2 3.4Å; H179-E183 PolarHBondContact O-N 3.02Å; E183-Q185 VanDerWaalsContact C-N 3.31Å; E183-Q185 PolarHBondContact O-N 3.19Å; E183-M186 PolarHBondContact O-N 3.07Å; E183-M186 VanDerWaalsContact O-N 3.14Å; E183-L187 WeakPolarHBondContact O-CD1 3.3Å; E183-L187 PolarHBondContact O-N 2.92Å
184L90.9Very high89.9Confident16 Ų1689.5 Ų89.58%0.08444%0.441CS..Hα-helixtrans-58.2-42.6172.7-77.6171.3000111.9F165 L168 Q169 H172 S180 L181 L187 S188F165-L184 HydrophobicContact CD2-CD2 3.74Å; F165-L184 HydrophobicContact CE2-CB 4.18Å; F165-L184 HydrophobicContact CE2-CD2 3.64Å; F165-L184 WeakPolarHBondContact CE2-O 3.45Å; F165-L184 HydrophobicContact CG-CD2 4.26Å; F165-L184 HydrophobicContact CZ-CD2 4.08Å; L168-L184 HydrophobicContact CB-CD2 4.03Å; L168-L184 HydrophobicContact CD2-CD2 3.89Å; L168-L184 HydrophobicContact CD2-CG 3.78Å; L168-L184 HydrophobicContact CG-CD2 4.27Å; L168-L184 HydrophobicContact CG-CG 4.36Å; Q169-L184 HydrophobicContact CB-CD2 4.02Å; H172-L184 HydrophobicContact CB-CD1 3.95Å; S180-L184 WeakPolarHBondContact O-CB 3.44Å; S180-L184 WeakPolarHBondContact O-CG 2.96Å; S180-L184 PolarHBondContact O-N 3.08Å; L181-L184 PolarHBondContact O-N 3.41Å; L184-L187 PolarHBondContact O-N 3.13Å; L184-S188 VanDerWaalsContact O-CB 3.25Å; L184-S188 WeakPolarHBondContact O-CB 3.47Å; L184-S188 PolarHBondContact O-N 2.93Å
185Q92.3Very high90.2Very high123 Ų12386.3 Ų86.358%0.57543%0.427SS*.Hα-helixtrans-63.6-39.8175.6-72.8175-13.600112.1L181 R182 E183 K189L181-Q185 WeakPolarHBondContact O-CG 3.34Å; L181-Q185 PolarHBondContact O-N 3.13Å; R182-Q185 WeakPolarHBondContact O-CB 3.11Å; R182-Q185 PolarHBondContact O-N 3.24Å; E183-Q185 VanDerWaalsContact C-N 3.31Å; E183-Q185 PolarHBondContact O-N 3.19Å; Q185-K189 WeakPolarHBondContact O-CB 3.38Å; Q185-K189 PolarHBondContact O-N 2.88Å
186M92.1Very high90.7Very high131 Ų13187 Ų8765%0.64543%0.426SS*.Hα-helixtrans-65.7-47176.1-69.8-172.8-163.700112.1R182 E183 S188 K189 K190R182-M186 WeakPolarHBondContact O-CG 3.36Å; R182-M186 PolarHBondContact O-N 3.1Å; E183-M186 PolarHBondContact O-N 3.07Å; E183-M186 VanDerWaalsContact O-N 3.14Å; M186-S188 VanDerWaalsContact C-N 3.34Å; M186-S188 PolarHBondContact O-N 3.23Å; M186-K189 PolarHBondContact O-N 2.94Å; M186-K190 WeakPolarHBondContact O-CB 3.46Å; M186-K190 PolarHBondContact O-N 3.04Å
187L92.2Very high91.1Very high33 Ų3385.8 Ų85.817%0.17341%0.414CS..Hα-helixtrans-62.2-42.6176-90.786.4000111.3N164 F165 E183 L184 K189 K190 I191N164-L187 HydrophobicContact CB-CD2 3.67Å; F165-L187 HydrophobicContact CB-CB 4.47Å; F165-L187 HydrophobicContact CB-CD2 4.07Å; F165-L187 HydrophobicContact CD2-CB 3.93Å; E183-L187 WeakPolarHBondContact O-CD1 3.3Å; E183-L187 PolarHBondContact O-N 2.92Å; L184-L187 PolarHBondContact O-N 3.13Å; L187-K189 VanDerWaalsContact C-N 3.33Å; L187-K189 PolarHBondContact O-N 3Å; L187-K190 PolarHBondContact O-N 3.25Å; L187-I191 VanDerWaalsContact O-CG1 3.28Å; L187-I191 WeakPolarHBondContact O-CG1 3.48Å; L187-I191 PolarHBondContact O-N 3.17Å
188S93.4Very high91.3Very high58 Ų5885 Ų8541%0.40640%0.404SS..Hα-helixtrans-58-45.6176.3-178.20000111.7L184 M186 I191 Q192L184-S188 VanDerWaalsContact O-CB 3.25Å; L184-S188 WeakPolarHBondContact O-CB 3.47Å; L184-S188 PolarHBondContact O-N 2.93Å; M186-S188 VanDerWaalsContact C-N 3.34Å; M186-S188 PolarHBondContact O-N 3.23Å; S188-I191 PolarHBondContact O-N 3.22Å; S188-Q192 WeakPolarHBondContact O-CB 3.38Å; S188-Q192 PolarHBondContact O-N 3.42Å
189K94.4Very high91.7Very high129 Ų12981.1 Ų81.156%0.56139%0.394SS*.Hα-helixtrans-62.6-44.5175.5-170.9-176.1178.1-162.70111.8Q185 M186 L187 Q192 E193Q185-K189 WeakPolarHBondContact O-CB 3.38Å; Q185-K189 PolarHBondContact O-N 2.88Å; M186-K189 PolarHBondContact O-N 2.94Å; L187-K189 VanDerWaalsContact C-N 3.33Å; L187-K189 PolarHBondContact O-N 3Å; K189-Q192 WeakPolarHBondContact O-CB 3.47Å; K189-Q192 PolarHBondContact O-N 3.33Å; K189-E193 WeakPolarHBondContact CE-OE1 3.43Å; K189-E193 IonicContact NZ-OE1 3.82Å; K189-E193 WeakPolarHBondContact O-CG 3.31Å; K189-E193 PolarHBondContact O-N 3.46Å
190K93.3Very high92.1Very high98 Ų9876.6 Ų76.643%0.42638%0.376SS..Hα-helixtrans-61.3-45178-171.6179.3-178.4-171.70112.1E161 M186 L187 Q192 E193 L194E161-K190 HydrophobicContact CG-CD 4.24Å; E161-K190 WeakPolarHBondContact OE1-CE 3.5Å; E161-K190 IonicContact OE1-NZ 2.68Å; E161-K190 PolarHBondContact OE1-NZ 2.9Å; M186-K190 WeakPolarHBondContact O-CB 3.46Å; M186-K190 PolarHBondContact O-N 3.04Å; L187-K190 PolarHBondContact O-N 3.25Å; K190-Q192 VanDerWaalsContact C-N 3.3Å; K190-Q192 PolarHBondContact O-N 3.04Å; K190-E193 PolarHBondContact O-N 3.17Å; K190-L194 HydrophobicContact CG-CD1 4.43Å; K190-L194 WeakPolarHBondContact O-CG 3.29Å; K190-L194 PolarHBondContact O-N 2.91Å
191I93.2Very high92.4Very high14 Ų1476.4 Ų76.47%0.07237%0.374CS..Hα-helixtrans-60.4-41.8174.9-68162.3000110.4E161 M162 F165 L187 S188 L194 K195E161-I191 HydrophobicContact CB-CD1 4.23Å; E161-I191 HydrophobicContact CB-CG1 3.64Å; M162-I191 HydrophobicContact CG-CD1 4.21Å; M162-I191 HydrophobicContact CG-CG2 4.35Å; F165-I191 HydrophobicContact CB-CD1 3.89Å; F165-I191 HydrophobicContact CD2-CD1 4.43Å; F165-I191 HydrophobicContact CG-CD1 4.24Å; L187-I191 VanDerWaalsContact O-CG1 3.28Å; L187-I191 WeakPolarHBondContact O-CG1 3.48Å; L187-I191 PolarHBondContact O-N 3.17Å; S188-I191 PolarHBondContact O-N 3.22Å; I191-L194 PolarHBondContact O-N 3.41Å; I191-K195 HydrophobicContact CG2-CD 4.19Å; I191-K195 WeakPolarHBondContact O-CG 3.37Å; I191-K195 PolarHBondContact O-N 3.42Å
192Q94.4Very high92.7Very high121 Ų12173.6 Ų73.657%0.56536%0.359SS*.Hα-helixtrans-64.4-43.6177.6-172.5177.4-4.500112S188 K189 K190 K195 I196S188-Q192 WeakPolarHBondContact O-CB 3.38Å; S188-Q192 PolarHBondContact O-N 3.42Å; K189-Q192 WeakPolarHBondContact O-CB 3.47Å; K189-Q192 PolarHBondContact O-N 3.33Å; K190-Q192 VanDerWaalsContact C-N 3.3Å; K190-Q192 PolarHBondContact O-N 3.04Å; Q192-K195 PolarHBondContact O-N 3.42Å; Q192-I196 HydrophobicContact CG-CD1 4.3Å; Q192-I196 WeakPolarHBondContact O-CG1 3.41Å; Q192-I196 PolarHBondContact O-N 3.14Å
193E94Very high92.8Very high105 Ų10574.3 Ų74.349%0.49136%0.362SS..Hα-helixtrans-60.8-44.5175.4-73.5172.2-177.800111.8K189 K190 K195 I196 N197K189-E193 WeakPolarHBondContact CE-OE1 3.43Å; K189-E193 IonicContact NZ-OE1 3.82Å; K189-E193 WeakPolarHBondContact O-CG 3.31Å; K189-E193 PolarHBondContact O-N 3.46Å; K190-E193 PolarHBondContact O-N 3.17Å; E193-K195 PolarHBondContact O-N 2.85Å; E193-I196 PolarHBondContact O-N 3.01Å; E193-N197 PolarHBondContact O-N 2.96Å
194L93.6Very high93Very high29 Ų2974.2 Ų74.215%0.15236%0.362CS..Hα-helixtrans-63-40.8175.8-70.3170.6000112.2C154 D157 I158 E161 K190 I191 I196 N197 Q198C154-L194 PolarHBondContact SG-O 2.95Å; D157-L194 HydrophobicContact CB-CD1 4.1Å; D157-L194 HydrophobicContact CB-CD2 4.44Å; I158-L194 HydrophobicContact CD1-CB 4.11Å; I158-L194 HydrophobicContact CG1-CB 3.49Å; I158-L194 VanDerWaalsContact CG1-CB 3.49Å; I158-L194 HydrophobicContact CG1-CD1 4.21Å; I158-L194 HydrophobicContact CG1-CG 4.45Å; E161-L194 HydrophobicContact CG-CD1 4.16Å; K190-L194 HydrophobicContact CG-CD1 4.43Å; K190-L194 WeakPolarHBondContact O-CG 3.29Å; K190-L194 PolarHBondContact O-N 2.91Å; I191-L194 PolarHBondContact O-N 3.41Å; L194-I196 VanDerWaalsContact C-N 3.34Å; L194-I196 PolarHBondContact O-N 3.3Å; L194-N197 WeakPolarHBondContact O-CB 3.34Å; L194-N197 PolarHBondContact O-N 3.41Å; L194-Q198 WeakPolarHBondContact O-CB 3.31Å; L194-Q198 PolarHBondContact O-N 3.4Å
195K93.4Very high93.2Very high97 Ų9773.6 Ų73.642%0.42236%0.358SS..Hα-helixtrans-63.9-37175-75.7177.9179.1-179.90112.7I158 I191 Q192 E193 S199I158-K195 HydrophobicContact CD1-CG 4.1Å; I191-K195 HydrophobicContact CG2-CD 4.19Å; I191-K195 WeakPolarHBondContact O-CG 3.37Å; I191-K195 PolarHBondContact O-N 3.42Å; Q192-K195 PolarHBondContact O-N 3.42Å; E193-K195 PolarHBondContact O-N 2.85Å; K195-S199 PolarHBondContact O-N 3.08Å; K195-S199 PolarHBondContact O-OG 2.94Å
196I94.3Very high93.2Very high107 Ų10770 Ų7055%0.54934%0.343SS..Hα-helixtrans-65.4-45.2174-69.2166000110.1Q192 E193 L194 Q198 S199 S200Q192-I196 HydrophobicContact CG-CD1 4.3Å; Q192-I196 WeakPolarHBondContact O-CG1 3.41Å; Q192-I196 PolarHBondContact O-N 3.14Å; E193-I196 PolarHBondContact O-N 3.01Å; L194-I196 VanDerWaalsContact C-N 3.34Å; L194-I196 PolarHBondContact O-N 3.3Å; I196-Q198 PolarHBondContact O-N 3.27Å; I196-S199 PolarHBondContact O-N 3.19Å; I196-S200 PolarHBondContact O-N 3.35Å
197N92.3Very high93.3Very high80 Ų8065.8 Ų65.843%0.42833%0.333SS..Hα-helixtrans-59.9-46.1176.2-174.737.9000111.7E193 L194 S199 S200 L201E193-N197 PolarHBondContact O-N 2.96Å; L194-N197 WeakPolarHBondContact O-CB 3.34Å; L194-N197 PolarHBondContact O-N 3.41Å; N197-S199 VanDerWaalsContact C-N 3.32Å; N197-S199 PolarHBondContact O-N 2.95Å; N197-S200 WeakPolarHBondContact O-CB 3.26Å; N197-S200 PolarHBondContact O-N 2.81Å; N197-S200 VanDerWaalsContact O-N 3.12Å; N197-L201 WeakPolarHBondContact O-CG 3.45Å; N197-L201 PolarHBondContact O-N 3.31Å
198Q92.1Very high93.4Very high40 Ų4065.7 Ų65.719%0.18733%0.332CS..Hα-helixtrans-55.8-45.7174.7-175.4179.747.600111.9F151 I158 L194 I196 S200 L201 I202F151-Q198 HydrophobicContact CD2-CG 3.83Å; F151-Q198 HydrophobicContact CE2-CG 3.29Å; F151-Q198 HydrophobicContact CZ-CG 4.05Å; I158-Q198 HydrophobicContact CD1-CB 4.14Å; L194-Q198 WeakPolarHBondContact O-CB 3.31Å; L194-Q198 PolarHBondContact O-N 3.4Å; I196-Q198 PolarHBondContact O-N 3.27Å; Q198-S200 VanDerWaalsContact C-N 3.34Å; Q198-S200 PolarHBondContact O-N 3.1Å; Q198-L201 PolarHBondContact O-N 3.11Å; Q198-I202 PolarHBondContact O-N 3.06Å; Q198-I202 VanDerWaalsContact O-N 3.14Å
199S92.3Very high93.5Very high73 Ų7362.9 Ų62.951%0.5131%0.313SS..Hα-helixtrans-65.5-36.7177.6-56.40000112.2K195 I196 N197 I202 R203K195-S199 PolarHBondContact O-N 3.08Å; K195-S199 PolarHBondContact O-OG 2.94Å; I196-S199 PolarHBondContact O-N 3.19Å; N197-S199 VanDerWaalsContact C-N 3.32Å; N197-S199 PolarHBondContact O-N 2.95Å; S199-I202 PolarHBondContact O-N 3.43Å; S199-R203 PolarHBondContact O-N 3.31Å; S199-R203 VanDerWaalsContact O-N 3.14Å
200S92.9Very high93.4Very high29 Ų2960.8 Ų60.820%0.20331%0.311CS..Hα-helixtrans-64.4-42.7174.7-166.40000111.8I196 N197 Q198 I202 R203 E204I196-S200 PolarHBondContact O-N 3.35Å; N197-S200 WeakPolarHBondContact O-CB 3.26Å; N197-S200 PolarHBondContact O-N 2.81Å; N197-S200 VanDerWaalsContact O-N 3.12Å; Q198-S200 VanDerWaalsContact C-N 3.34Å; Q198-S200 PolarHBondContact O-N 3.1Å; S200-I202 PolarHBondContact O-N 3.44Å; S200-R203 PolarHBondContact O-N 2.95Å; S200-E204 WeakPolarHBondContact O-CG 3.39Å; S200-E204 PolarHBondContact O-N 2.92Å; S200-E204 PolarHBondContact OG-OE1 2.91Å
201L92.6Very high93.4Very high7 Ų760.6 Ų60.64%0.03731%0.312CS..Hα-helixtrans-60.9-43.1176.9-72.3171.4000111.9R150 N197 Q198 R203 E204 C205R150-L201 HydrophobicContact CB-CD1 4.32Å; N197-L201 WeakPolarHBondContact O-CG 3.45Å; N197-L201 PolarHBondContact O-N 3.31Å; Q198-L201 PolarHBondContact O-N 3.11Å; L201-R203 VanDerWaalsContact C-N 3.33Å; L201-R203 PolarHBondContact O-N 3.03Å; L201-E204 PolarHBondContact O-N 3.45Å; L201-C205 PolarHBondContact O-N 2.89Å; L201-C205 PolarHBondContact O-SG 3.39Å
202I92.8Very high93.4Very high22 Ų2260 Ų6011%0.11331%0.308CS..Hα-helixtrans-59.4-46.6174.9-66.4167.1000110.1F151 Q198 S199 S200 E204 C205 L206 D273 L274F151-I202 HydrophobicContact CD2-CG1 4.09Å; F151-I202 HydrophobicContact CE2-CD1 3.75Å; F151-I202 HydrophobicContact CE2-CG1 3.72Å; F151-I202 HydrophobicContact CZ-CD1 4.5Å; Q198-I202 PolarHBondContact O-N 3.06Å; Q198-I202 VanDerWaalsContact O-N 3.14Å; S199-I202 PolarHBondContact O-N 3.43Å; S200-I202 PolarHBondContact O-N 3.44Å; I202-E204 VanDerWaalsContact C-N 3.35Å; I202-E204 PolarHBondContact O-N 3.1Å; I202-C205 WeakPolarHBondContact O-CB 3.25Å; I202-C205 PolarHBondContact O-N 3Å; I202-L206 HydrophobicContact CG2-CD1 4.09Å; I202-L206 HydrophobicContact CG2-CG 4.38Å; I202-L206 VanDerWaalsContact O-CG 3.29Å; I202-L206 WeakPolarHBondContact O-CG 3.36Å; I202-L206 PolarHBondContact O-N 2.77Å; I202-D273 HydrophobicContact CD1-CB 4.39Å; I202-L274 HydrophobicContact CG2-CD2 4.24Å
203R93Very high93.4Very high175 Ų17554.8 Ų54.866%0.6629%0.285SS*.Hα-helixtrans-62.4-39178.9-175.1178.661-172.1-4112.9S199 S200 L201 L206 G207S199-R203 PolarHBondContact O-N 3.31Å; S199-R203 VanDerWaalsContact O-N 3.14Å; S200-R203 PolarHBondContact O-N 2.95Å; L201-R203 VanDerWaalsContact C-N 3.33Å; L201-R203 PolarHBondContact O-N 3.03Å; R203-L206 WeakPolarHBondContact O-CB 3.45Å; R203-L206 PolarHBondContact O-N 3.19Å; R203-G207 PolarHBondContact O-N 2.93Å; R203-G207 VanDerWaalsContact O-N 3.13Å
204E93.6Very high93.5Very high72 Ų7254.1 Ų54.134%0.33629%0.288SS..Hα-helixtrans-62-49173.6-75.1170.6-144.700111R147 S200 L201 I202 L206 G207 M208R147-E204 IonicContact CZ-OE2 2.68Å; R147-E204 VanDerWaalsContact CZ-OE2 3.26Å; R147-E204 IonicContact NE-OE2 3.73Å; R147-E204 IonicContact NH1-OE2 2.61Å; R147-E204 PolarHBondContact NH1-OE2 3.16Å; R147-E204 IonicContact NH2-OE2 3.65Å; S200-E204 WeakPolarHBondContact O-CG 3.39Å; S200-E204 PolarHBondContact O-N 2.92Å; S200-E204 PolarHBondContact OG-OE1 2.91Å; L201-E204 PolarHBondContact O-N 3.45Å; I202-E204 VanDerWaalsContact C-N 3.35Å; I202-E204 PolarHBondContact O-N 3.1Å; E204-L206 VanDerWaalsContact C-N 3.27Å; E204-L206 PolarHBondContact O-N 2.53Å; E204-G207 PolarHBondContact O-N 3.45Å; E204-M208 WeakPolarHBondContact O-CG 3.37Å; E204-M208 PolarHBondContact O-N 3.41Å
205C94.2Very high93.5Very high2 Ų256 Ų561%0.01429%0.294CS..Hα-helixtrans-57.1-41.2175.8-69.10000111.7L144 L201 I202 G207 M208 F209 I271 L274L144-C205 HydrophobicContact CD2-CB 4.14Å; L201-C205 PolarHBondContact O-N 2.89Å; L201-C205 PolarHBondContact O-SG 3.39Å; I202-C205 WeakPolarHBondContact O-CB 3.25Å; I202-C205 PolarHBondContact O-N 3Å; C205-G207 PolarHBondContact O-N 3.36Å; C205-M208 PolarHBondContact O-N 2.97Å; C205-F209 VanDerWaalsContact O-CD2 3.23Å; C205-F209 WeakPolarHBondContact O-CD2 3.43Å; C205-F209 PolarHBondContact O-N 3.48Å; C205-I271 HydrophobicContact CB-CD1 4.32Å; C205-L274 HydrophobicContact CB-CD2 4.48Å
206L94.1Very high93.6Very high47 Ų4751.3 Ų51.325%0.24627%0.274CS..Hα-helixtrans-60.5-45177-72.2172.3000113.1I202 R203 E204 M208 F209 T210 L274 P275 I278I202-L206 HydrophobicContact CG2-CD1 4.09Å; I202-L206 HydrophobicContact CG2-CG 4.38Å; I202-L206 VanDerWaalsContact O-CG 3.29Å; I202-L206 WeakPolarHBondContact O-CG 3.36Å; I202-L206 PolarHBondContact O-N 2.77Å; R203-L206 WeakPolarHBondContact O-CB 3.45Å; R203-L206 PolarHBondContact O-N 3.19Å; E204-L206 VanDerWaalsContact C-N 3.27Å; E204-L206 PolarHBondContact O-N 2.53Å; L206-M208 VanDerWaalsContact C-N 3.34Å; L206-F209 PolarHBondContact O-N 3.33Å; L206-T210 PolarHBondContact O-N 2.99Å; L206-T210 PolarHBondContact O-OG1 3.38Å; L206-L274 HydrophobicContact CD2-CB 4.47Å; L206-L274 HydrophobicContact CD2-CD2 3.32Å; L206-L274 HydrophobicContact CD2-CG 4.47Å; L206-L274 HydrophobicContact CG-CD2 3.68Å; L206-P275 HydrophobicContact CD2-CG 3.77Å; L206-I278 HydrophobicContact CD2-CD1 3.91Å
207G93.5Very high93.7Very high44 Ų4449.7 Ų49.745%0.45426%0.263SS..Hα-helixtrans-59.6-46.7175.100000111.4R203 E204 C205 T210 E211R203-G207 PolarHBondContact O-N 2.93Å; R203-G207 VanDerWaalsContact O-N 3.13Å; E204-G207 PolarHBondContact O-N 3.45Å; C205-G207 PolarHBondContact O-N 3.36Å; G207-T210 PolarHBondContact O-N 2.98Å; G207-E211 PolarHBondContact O-N 3.25Å; G207-E211 VanDerWaalsContact O-N 3.1Å
208M94.3Very high93.7Very high30 Ų3050.7 Ų50.715%0.14827%0.265CS..Hα-helixtrans-62.5-45.2178.5-68.2177.271.800112.6T140 Q143 L144 R147 E204 C205 L206 T210 E211 T212T140-M208 HydrophobicContact CG2-CE 3.82Å; Q143-M208 HydrophobicContact CB-CE 3.4Å; L144-M208 HydrophobicContact CD2-CB 3.88Å; L144-M208 HydrophobicContact CD2-CE 4.25Å; L144-M208 HydrophobicContact CD2-SD 4.17Å; L144-M208 HydrophobicContact CG-CB 4.36Å; L144-M208 HydrophobicContact CG-CE 3.98Å; R147-M208 HydrophobicContact CG-SD 4.47Å; E204-M208 WeakPolarHBondContact O-CG 3.37Å; E204-M208 PolarHBondContact O-N 3.41Å; C205-M208 PolarHBondContact O-N 2.97Å; L206-M208 VanDerWaalsContact C-N 3.34Å; M208-T210 VanDerWaalsContact C-N 3.31Å; M208-T210 PolarHBondContact O-N 2.84Å; M208-E211 PolarHBondContact O-N 3.45Å; M208-T212 VanDerWaalsContact O-CB 3.29Å; M208-T212 WeakPolarHBondContact O-CB 3.38Å; M208-T212 PolarHBondContact O-N 3.45Å; M208-T212 PolarHBondContact O-OG1 3.07Å
209F94.9Very high93.9Very high0 Ų048.8 Ų48.80%026%0.257CS..Hα-helixtrans-58.9-44.2175.8-90.4-69.2000111.5L144 C205 L206 E211 T212 L213 L264 E267 W268 I271 L274 I278L144-F209 HydrophobicContact CD1-CD1 4.26Å; L144-F209 HydrophobicContact CD1-CD2 4.47Å; L144-F209 HydrophobicContact CD1-CE1 4.05Å; L144-F209 HydrophobicContact CD1-CE2 4.25Å; L144-F209 HydrophobicContact CD1-CG 4.46Å; L144-F209 HydrophobicContact CD1-CZ 4.04Å; L144-F209 HydrophobicContact CD2-CD2 4.04Å; L144-F209 HydrophobicContact CD2-CE2 3.89Å; L144-F209 HydrophobicContact CD2-CZ 4.43Å; C205-F209 VanDerWaalsContact O-CD2 3.23Å; C205-F209 WeakPolarHBondContact O-CD2 3.43Å; C205-F209 PolarHBondContact O-N 3.48Å; L206-F209 PolarHBondContact O-N 3.33Å; F209-E211 PolarHBondContact O-N 2.95Å; F209-T212 PolarHBondContact O-N 2.7Å; F209-L213 VanDerWaalsContact O-CB 3.31Å; F209-L213 WeakPolarHBondContact O-CB 3.4Å; F209-L213 WeakPolarHBondContact O-CG 3.49Å; F209-L213 PolarHBondContact O-N 3.3Å; F209-L264 HydrophobicContact CD1-CD2 4.22Å; F209-L264 HydrophobicContact CE1-CB 4.17Å; F209-L264 HydrophobicContact CE1-CD2 3.89Å; F209-L264 WeakPolarHBondContact CE1-O 3.37Å; F209-E267 HydrophobicContact CZ-CB 3.87Å; F209-W268 HydrophobicContact CE1-CB 4.19Å; F209-W268 HydrophobicContact CZ-CB 3.99Å; F209-I271 HydrophobicContact CE2-CD1 4.2Å; F209-L274 HydrophobicContact CD2-CD1 4.04Å; F209-L274 HydrophobicContact CE2-CD1 3.55Å; F209-L274 HydrophobicContact CZ-CD1 4.3Å; F209-I278 HydrophobicContact CB-CD1 3.89Å; F209-I278 HydrophobicContact CD1-CG2 3.87Å; F209-I278 HydrophobicContact CD2-CD1 4.43Å; F209-I278 HydrophobicContact CE1-CG2 4.31Å; F209-I278 HydrophobicContact CG-CD1 4.17Å; F209-I278 HydrophobicContact CG-CG2 4.22Å
210T92.3Very high94Very high84 Ų8445.4 Ų45.452%0.51523%0.232SC..Hα-helixtrans-62.7-45.5-178.1-54.60000111.7L206 G207 M208 T214L206-T210 PolarHBondContact O-N 2.99Å; L206-T210 PolarHBondContact O-OG1 3.38Å; G207-T210 PolarHBondContact O-N 2.98Å; M208-T210 VanDerWaalsContact C-N 3.31Å; M208-T210 PolarHBondContact O-N 2.84Å; T210-T214 PolarHBondContact O-N 3.24Å; T210-T214 PolarHBondContact O-OG1 3.44Å
211E92.8Very high94.1Very high95 Ų9546.6 Ų46.644%0.44424%0.237SC..Hα-helixtrans-65.2-46176-171-173.4165.200111.4F136 G207 M208 F209 L213 T214 K215F136-E211 WeakPolarHBondContact CZ-OE1 3.27Å; G207-E211 PolarHBondContact O-N 3.25Å; G207-E211 VanDerWaalsContact O-N 3.1Å; M208-E211 PolarHBondContact O-N 3.45Å; F209-E211 PolarHBondContact O-N 2.95Å; E211-L213 PolarHBondContact O-N 3.49Å; E211-T214 PolarHBondContact O-N 3.46Å; E211-K215 HydrophobicContact CG-CD 4.43Å; E211-K215 PolarHBondContact O-N 3.21Å; E211-K215 VanDerWaalsContact O-N 3.09Å; E211-K215 IonicContact OE1-NZ 2.78Å; E211-K215 PolarHBondContact OE1-NZ 3.05Å
212T93.9Very high94.2Very high0 Ų048.9 Ų48.90%025%0.249CC..Hα-helixtrans-64.4-40.8-177.4-51.30000111.7L137 T140 M208 F209 T214 K215 L216 L264L137-T212 HydrophobicContact CD2-CG2 3.68Å; T140-T212 HydrophobicContact CG2-CG2 4.45Å; T140-T212 WeakPolarHBondContact CG2-OG1 3.49Å; M208-T212 VanDerWaalsContact O-CB 3.29Å; M208-T212 WeakPolarHBondContact O-CB 3.38Å; M208-T212 PolarHBondContact O-N 3.45Å; M208-T212 PolarHBondContact O-OG1 3.07Å; F209-T212 PolarHBondContact O-N 2.7Å; T212-T214 VanDerWaalsContact C-N 3.31Å; T212-T214 PolarHBondContact O-N 2.91Å; T212-K215 PolarHBondContact O-N 3.33Å; T212-L216 VanDerWaalsContact O-CB 3.24Å; T212-L216 WeakPolarHBondContact O-CB 3.29Å; T212-L216 PolarHBondContact O-N 3.38Å; T212-L264 HydrophobicContact CG2-CD1 3.76Å; T212-L264 HydrophobicContact CG2-CD2 4.02Å
213L95.7Very high94.3Very high13 Ų1347.9 Ų47.97%0.06824%0.244CC..Hα-helixtrans-61.8-40176.7-77.6173.9000112.2F209 E211 L216 K217 I278 K281 L282 L285F209-L213 VanDerWaalsContact O-CB 3.31Å; F209-L213 WeakPolarHBondContact O-CB 3.4Å; F209-L213 WeakPolarHBondContact O-CG 3.49Å; F209-L213 PolarHBondContact O-N 3.3Å; E211-L213 PolarHBondContact O-N 3.49Å; L213-L216 PolarHBondContact O-N 3.44Å; L213-K217 PolarHBondContact O-N 3.02Å; L213-I278 HydrophobicContact CD1-CB 4.49Å; L213-I278 HydrophobicContact CD1-CG1 4.38Å; L213-I278 HydrophobicContact CD1-CG2 4.16Å; L213-K281 HydrophobicContact CD1-CB 4.31Å; L213-K281 HydrophobicContact CD1-CD 4.21Å; L213-L282 HydrophobicContact CD2-CD2 3.44Å; L213-L282 VanDerWaalsContact CD2-CD2 3.44Å; L213-L282 HydrophobicContact CD2-CG 3.76Å; L213-L285 HydrophobicContact CD2-CD1 4.05Å
214T94.2Very high94.4Very high91 Ų9140.8 Ų40.856%0.55822%0.219SC*.Hα-helixtrans-64-46.8178.3-54.70000110.4T210 E211 T212 K217 Q218T210-T214 PolarHBondContact O-N 3.24Å; T210-T214 PolarHBondContact O-OG1 3.44Å; E211-T214 PolarHBondContact O-N 3.46Å; T212-T214 VanDerWaalsContact C-N 3.31Å; T212-T214 PolarHBondContact O-N 2.91Å; T214-K217 PolarHBondContact O-N 3.06Å; T214-Q218 PolarHBondContact O-N 3.4Å
215K93.8Very high94.4Very high67 Ų6741.3 Ų41.329%0.29123%0.227SC..Hα-helixtrans-68.3-35.1177.2-74.7175.3170.2169.50112.9F136 L137 E211 T212 Q218 C219F136-K215 HydrophobicContact CD1-CD 3.42Å; F136-K215 VanDerWaalsContact CD1-CD 3.42Å; F136-K215 HydrophobicContact CE1-CD 3.12Å; F136-K215 HydrophobicContact CE1-CG 4.44Å; F136-K215 VanDerWaalsContact CE1-NZ 3.32Å; F136-K215 HydrophobicContact CG-CD 4.3Å; F136-K215 HydrophobicContact CZ-CD 3.77Å; L137-K215 HydrophobicContact CD2-CB 3.91Å; E211-K215 HydrophobicContact CG-CD 4.43Å; E211-K215 PolarHBondContact O-N 3.21Å; E211-K215 VanDerWaalsContact O-N 3.09Å; E211-K215 IonicContact OE1-NZ 2.78Å; E211-K215 PolarHBondContact OE1-NZ 3.05Å; T212-K215 PolarHBondContact O-N 3.33Å; K215-Q218 PolarHBondContact O-N 3.3Å; K215-C219 WeakPolarHBondContact O-CB 3.32Å; K215-C219 PolarHBondContact O-N 2.93Å
216L95.6Very high94.3Very high0 Ų046.6 Ų46.60%025%0.249CC..Hα-helixtrans-63.8-45175.1178.861.5000110.6L137 T212 L213 C219 Q220 L257 V260 N261 L264 L282 L285L137-L216 HydrophobicContact CD1-CB 4.49Å; L137-L216 HydrophobicContact CD1-CD1 4.04Å; L137-L216 HydrophobicContact CD2-CB 4.13Å; T212-L216 VanDerWaalsContact O-CB 3.24Å; T212-L216 WeakPolarHBondContact O-CB 3.29Å; T212-L216 PolarHBondContact O-N 3.38Å; L213-L216 PolarHBondContact O-N 3.44Å; L216-C219 PolarHBondContact O-N 2.92Å; L216-Q220 VanDerWaalsContact O-CB 3.27Å; L216-Q220 WeakPolarHBondContact O-CB 3.16Å; L216-Q220 PolarHBondContact O-N 3.42Å; L216-L257 HydrophobicContact CD1-CD2 3.79Å; L216-V260 HydrophobicContact CD1-CG1 4.02Å; L216-N261 HydrophobicContact CD2-CB 4.21Å; L216-L264 HydrophobicContact CD2-CD1 3.94Å; L216-L282 HydrophobicContact CD2-CD2 4.31Å; L216-L285 HydrophobicContact CD2-CD1 3.89Å; L216-L285 HydrophobicContact CG-CD1 4.13Å
217K95.9Very high94.4Very high73 Ų7344.4 Ų44.432%0.31724%0.238SC..Hα-helixtrans-57.9-48.9173.9-177.866.9172.778.60111.1L213 T214 C219 Q220 D221 L285 E288L213-K217 PolarHBondContact O-N 3.02Å; T214-K217 PolarHBondContact O-N 3.06Å; K217-C219 PolarHBondContact O-N 3.28Å; K217-Q220 PolarHBondContact O-N 2.9Å; K217-D221 IonicContact NZ-OD1 3.22Å; K217-D221 PolarHBondContact NZ-OD1 2.89Å; K217-D221 IonicContact NZ-OD2 3.59Å; K217-D221 PolarHBondContact NZ-OD2 3.38Å; K217-D221 PolarHBondContact O-N 2.96Å; K217-L285 HydrophobicContact CB-CD2 3.95Å; K217-L285 HydrophobicContact CD-CD2 3.31Å; K217-L285 HydrophobicContact CG-CD2 4.23Å; K217-E288 IonicContact NZ-OE1 3.53Å; K217-E288 IonicContact NZ-OE2 2.79Å
218Q94.2Very high94.3Very high101 Ų10146.3 Ų46.347%0.47224%0.238SC..Hα-helixtrans-59.3-46.7179.5-177.8180-2.800112.3T214 K215 Q220 D221 N222T214-Q218 PolarHBondContact O-N 3.4Å; K215-Q218 PolarHBondContact O-N 3.3Å; Q218-Q220 VanDerWaalsContact C-N 3.32Å; Q218-Q220 PolarHBondContact O-N 3.06Å; Q218-D221 PolarHBondContact O-N 3.08Å; Q218-N222 PolarHBondContact O-N 2.68Å; Q218-N222 PolarHBondContact O-ND2 3.46Å
219C94.6Very high94.2Very high0 Ų048.1 Ų48.10%025%0.25CS..Hα-helixtrans-64.9-38.9179.1-165.10000111.5L137 K215 L216 K217 N222 F223 W253 L257L137-C219 HydrophobicContact CD1-CB 4.09Å; K215-C219 WeakPolarHBondContact O-CB 3.32Å; K215-C219 PolarHBondContact O-N 2.93Å; L216-C219 PolarHBondContact O-N 2.92Å; K217-C219 PolarHBondContact O-N 3.28Å; C219-N222 PolarHBondContact O-N 3.33Å; C219-F223 PolarHBondContact O-N 3.19Å; C219-W253 PolarHBondContact SG-NE1 3.42Å; C219-W253 VanDerWaalsContact SG-NE1 3.45Å; C219-L257 HydrophobicContact CB-CD2 4.12Å
220Q95.9Very high94.2Very high1 Ų148.7 Ų48.71%0.00525%0.253CS..Hα-helixtrans-65.6-38.2174.3-177.6172.2-50.300112.2L216 K217 Q218 F223 I224 L257 L285 E288 L289L216-Q220 VanDerWaalsContact O-CB 3.27Å; L216-Q220 WeakPolarHBondContact O-CB 3.16Å; L216-Q220 PolarHBondContact O-N 3.42Å; K217-Q220 PolarHBondContact O-N 2.9Å; Q218-Q220 VanDerWaalsContact C-N 3.32Å; Q218-Q220 PolarHBondContact O-N 3.06Å; Q220-F223 WeakPolarHBondContact O-CB 3.17Å; Q220-F223 PolarHBondContact O-N 2.66Å; Q220-I224 HydrophobicContact CG-CD1 4.09Å; Q220-I224 VanDerWaalsContact O-CG1 3.31Å; Q220-I224 WeakPolarHBondContact O-CG1 3.45Å; Q220-I224 PolarHBondContact O-N 3.44Å; Q220-L257 HydrophobicContact CB-CD1 4.36Å; Q220-L285 PolarHBondContact NE2-O 3.32Å; Q220-L285 PolarHBondContact OE1-O 3.36Å; Q220-E288 PolarHBondContact NE2-OE2 3.32Å; Q220-E288 VanDerWaalsContact NE2-OE2 3.13Å; Q220-L289 HydrophobicContact CG-CD1 4.46Å
221D95.1Very high94.3Very high54 Ų5447.5 Ų47.529%0.28924%0.241SC..Hα-helixtrans-64.9-41.8176.1-71.1-16.9000111.8K217 Q218 F223 I224 V225K217-D221 IonicContact NZ-OD1 3.22Å; K217-D221 PolarHBondContact NZ-OD1 2.89Å; K217-D221 IonicContact NZ-OD2 3.59Å; K217-D221 PolarHBondContact NZ-OD2 3.38Å; K217-D221 PolarHBondContact O-N 2.96Å; Q218-D221 PolarHBondContact O-N 3.08Å; D221-F223 VanDerWaalsContact C-N 3.31Å; D221-F223 PolarHBondContact O-N 3.45Å; D221-I224 PolarHBondContact O-N 3.21Å; D221-V225 WeakPolarHBondContact O-CG2 3.4Å; D221-V225 PolarHBondContact O-N 3.22Å
222N94.1Very high94.2Very high56 Ų5646.3 Ų46.330%0.29923%0.233SC..Hα-helixtrans-59.4-43.4172.9-69.6-21.9000111.3E133 Q218 C219 V225 K226 W253E133-N222 PolarHBondContact OE2-ND2 2.78Å; Q218-N222 PolarHBondContact O-N 2.68Å; Q218-N222 PolarHBondContact O-ND2 3.46Å; C219-N222 PolarHBondContact O-N 3.33Å; N222-V225 PolarHBondContact O-N 3.19Å; N222-K226 WeakPolarHBondContact O-CG 3.42Å; N222-K226 PolarHBondContact O-N 3.17Å; N222-W253 HydrophobicContact CB-CH2 3.92Å; N222-W253 HydrophobicContact CB-CZ2 4.01Å
223F94.6Very high94.2Very high0 Ų050.5 Ų50.50%025%0.252CS..Hα-helixtrans-59.4-46.9174164.2-101000112C219 Q220 D221 V225 K226 M227 L250 W253 L257 L289C219-F223 PolarHBondContact O-N 3.19Å; Q220-F223 WeakPolarHBondContact O-CB 3.17Å; Q220-F223 PolarHBondContact O-N 2.66Å; D221-F223 VanDerWaalsContact C-N 3.31Å; D221-F223 PolarHBondContact O-N 3.45Å; F223-V225 PolarHBondContact O-N 3.07Å; F223-K226 PolarHBondContact O-N 3.14Å; F223-M227 HydrophobicContact CE1-CE 4.47Å; F223-M227 HydrophobicContact CE2-CE 3.57Å; F223-M227 HydrophobicContact CZ-CE 3.48Å; F223-M227 VanDerWaalsContact CZ-CE 3.48Å; F223-M227 PolarHBondContact O-N 3.29Å; F223-L250 HydrophobicContact CD2-CD2 4.14Å; F223-L250 HydrophobicContact CE2-CB 4.25Å; F223-L250 HydrophobicContact CE2-CD2 4.2Å; F223-L250 WeakPolarHBondContact CE2-O 3.36Å; F223-W253 HydrophobicContact CB-CD2 4.06Å; F223-W253 HydrophobicContact CB-CE3 4.42Å; F223-W253 HydrophobicContact CB-CH2 4.43Å; F223-W253 HydrophobicContact CB-CZ2 4.08Å; F223-W253 HydrophobicContact CD2-CB 4.29Å; F223-W253 HydrophobicContact CD2-CD2 4.15Å; F223-W253 HydrophobicContact CD2-CE3 4.3Å; F223-W253 HydrophobicContact CD2-CG 4.16Å; F223-L257 HydrophobicContact CB-CD1 3.84Å; F223-L257 HydrophobicContact CD1-CD1 4.3Å; F223-L257 HydrophobicContact CG-CD1 4.04Å; F223-L289 HydrophobicContact CD1-CD1 3.97Å; F223-L289 HydrophobicContact CE1-CD1 3.81Å
224I95Very high94.2Very high26 Ų2650.4 Ų50.413%0.13325%0.251CS..Hα-helixtrans-62.4-42.8179.2-67.6164000110.9Q220 D221 K226 M227 N228 E288Q220-I224 HydrophobicContact CG-CD1 4.09Å; Q220-I224 VanDerWaalsContact O-CG1 3.31Å; Q220-I224 WeakPolarHBondContact O-CG1 3.45Å; Q220-I224 PolarHBondContact O-N 3.44Å; D221-I224 PolarHBondContact O-N 3.21Å; I224-K226 VanDerWaalsContact C-N 3.33Å; I224-K226 PolarHBondContact O-N 3.27Å; I224-M227 WeakPolarHBondContact O-CB 3.35Å; I224-M227 PolarHBondContact O-N 3.38Å; I224-M227 VanDerWaalsContact O-N 3.17Å; I224-N228 VanDerWaalsContact O-CG 3.25Å; I224-N228 PolarHBondContact O-N 3.25Å; I224-E288 HydrophobicContact CD1-CG 3.69Å
225V93.1Very high94.1Very high84 Ų8446.7 Ų46.751%0.50923%0.227SC..Hα-helixtrans-58.4-45.9175.2169.40000110.7D221 N222 F223 M227 N228 V229D221-V225 WeakPolarHBondContact O-CG2 3.4Å; D221-V225 PolarHBondContact O-N 3.22Å; N222-V225 PolarHBondContact O-N 3.19Å; F223-V225 PolarHBondContact O-N 3.07Å; V225-M227 VanDerWaalsContact C-N 3.32Å; V225-M227 PolarHBondContact O-N 3.43Å; V225-N228 PolarHBondContact O-N 3.45Å; V225-V229 WeakPolarHBondContact O-CG2 3.49Å; V225-V229 PolarHBondContact O-N 3.08Å
226K93.4Very high94Very high112 Ų11245.3 Ų45.349%0.48722%0.222SC..Hα-helixtrans-65-36.1177-67.8-68.6-173.3179.20112.5N222 F223 I224 V229 W230 L250 W253N222-K226 WeakPolarHBondContact O-CG 3.42Å; N222-K226 PolarHBondContact O-N 3.17Å; F223-K226 PolarHBondContact O-N 3.14Å; I224-K226 VanDerWaalsContact C-N 3.33Å; I224-K226 PolarHBondContact O-N 3.27Å; K226-V229 PolarHBondContact O-N 2.94Å; K226-W230 PolarHBondContact O-N 3.17Å; K226-L250 HydrophobicContact CB-CD2 3.8Å; K226-W253 HydrophobicContact CG-CH2 4.5Å; K226-W253 HydrophobicContact CG-CZ3 4.04Å
227M94.8Very high93.9Very high1 Ų147.2 Ų47.21%0.00524%0.235CC..Hα-helixtrans-63.1-45.1174-166.756.762.800111.7F223 I224 V225 V229 W230 Q231 L250 V295 L317F223-M227 HydrophobicContact CE1-CE 4.47Å; F223-M227 HydrophobicContact CE2-CE 3.57Å; F223-M227 HydrophobicContact CZ-CE 3.48Å; F223-M227 VanDerWaalsContact CZ-CE 3.48Å; F223-M227 PolarHBondContact O-N 3.29Å; I224-M227 WeakPolarHBondContact O-CB 3.35Å; I224-M227 PolarHBondContact O-N 3.38Å; I224-M227 VanDerWaalsContact O-N 3.17Å; V225-M227 VanDerWaalsContact C-N 3.32Å; V225-M227 PolarHBondContact O-N 3.43Å; M227-V229 VanDerWaalsContact C-N 3.32Å; M227-V229 PolarHBondContact O-N 3.08Å; M227-W230 PolarHBondContact O-N 3.01Å; M227-Q231 WeakPolarHBondContact O-CG 3.48Å; M227-Q231 PolarHBondContact O-N 3.25Å; M227-L250 HydrophobicContact CE-CB 3.86Å; M227-L250 HydrophobicContact CE-CD1 3.87Å; M227-L250 HydrophobicContact CE-CD2 4.39Å; M227-L250 HydrophobicContact CE-CG 4.26Å; M227-L250 HydrophobicContact SD-CD1 4.2Å; M227-V295 HydrophobicContact CG-CG1 4.3Å; M227-V295 HydrophobicContact SD-CG1 3.67Å; M227-L317 HydrophobicContact CE-CD1 3.27Å; M227-L317 HydrophobicContact SD-CD1 4.3Å
228N92.4Very high93.8Very high85 Ų8545 Ų4546%0.45523%0.228SC..Hα-helixtrans-63.2-39.4177.5-68-15.1000111.4I224 V225 Q231 W232I224-N228 VanDerWaalsContact O-CG 3.25Å; I224-N228 PolarHBondContact O-N 3.25Å; V225-N228 PolarHBondContact O-N 3.45Å; N228-Q231 PolarHBondContact O-N 3.15Å; N228-W232 VanDerWaalsContact O-CB 3.29Å; N228-W232 WeakPolarHBondContact O-CB 3.49Å; N228-W232 PolarHBondContact O-N 2.61Å
229V91.9Very high93.7Very high67 Ų6740.3 Ų40.341%0.40621%0.205SC..Hα-helixtrans-60.6-47.4173.2171.20000111V225 K226 M227 Q231 W232 E233V225-V229 WeakPolarHBondContact O-CG2 3.49Å; V225-V229 PolarHBondContact O-N 3.08Å; K226-V229 PolarHBondContact O-N 2.94Å; M227-V229 VanDerWaalsContact C-N 3.32Å; M227-V229 PolarHBondContact O-N 3.08Å; V229-Q231 PolarHBondContact O-N 2.87Å; V229-W232 WeakPolarHBondContact O-CB 3.33Å; V229-W232 PolarHBondContact O-N 3.5Å; V229-W232 VanDerWaalsContact O-N 3.14Å; V229-E233 HydrophobicContact CG1-CG 4.43Å; V229-E233 WeakPolarHBondContact O-CG 3.17Å; V229-E233 PolarHBondContact O-N 2.83Å
230W95.1Very high93.6Very high13 Ų1341 Ų415%0.04921%0.213CC..Hα-helixtrans-60.6-43.6177.8179.489000112.1K226 M227 W232 E233 Q234 F243 S244 L247 L250 V295K226-W230 PolarHBondContact O-N 3.17Å; M227-W230 PolarHBondContact O-N 3.01Å; W230-W232 VanDerWaalsContact C-N 3.29Å; W230-W232 PolarHBondContact O-N 2.84Å; W230-E233 PolarHBondContact O-N 2.67Å; W230-Q234 PolarHBondContact O-N 3.45Å; W230-F243 HydrophobicContact CD2-CE2 4.26Å; W230-F243 HydrophobicContact CD2-CZ 4.43Å; W230-F243 AromaticContact CE2-CE2 3.73Å; W230-F243 AromaticContact CE2-CZ 3.58Å; W230-F243 HydrophobicContact CG-CE2 4.44Å; W230-F243 HydrophobicContact CH2-CZ 4.22Å; W230-F243 HydrophobicContact CZ2-CE2 4.13Å; W230-F243 AromaticContact CZ2-CZ 3.49Å; W230-F243 HydrophobicContact CZ2-CZ 3.49Å; W230-F243 VanDerWaalsContact CZ2-CZ 3.49Å; W230-F243 AromaticContact NE1-CE2 3.55Å; W230-F243 AromaticContact NE1-CZ 3.68Å; W230-S244 PolarHBondContact NE1-O 3.4Å; W230-L247 HydrophobicContact CD2-CD2 3.61Å; W230-L247 HydrophobicContact CD2-CG 4.45Å; W230-L247 VanDerWaalsContact CE2-CD2 3.42Å; W230-L247 HydrophobicContact CE3-CD2 4.07Å; W230-L247 HydrophobicContact CG-CD2 4.03Å; W230-L247 HydrophobicContact CH2-CD1 3.88Å; W230-L247 HydrophobicContact CH2-CD2 4.22Å; W230-L247 HydrophobicContact CH2-CG 4.32Å; W230-L247 HydrophobicContact CZ2-CD1 3.66Å; W230-L247 HydrophobicContact CZ2-CD2 3.73Å; W230-L247 HydrophobicContact CZ2-CG 3.67Å; W230-L247 HydrophobicContact CZ3-CD2 4.38Å; W230-L250 HydrophobicContact CB-CD1 4.1Å; W230-L250 HydrophobicContact CG-CD1 4.31Å; W230-V295 HydrophobicContact CZ3-CB 4.27Å; W230-V295 HydrophobicContact CZ3-CG2 4.44Å
231Q93.8Very high93.4Very high59 Ų5945.1 Ų45.128%0.27623%0.229SC..Hα-helixtrans-62.9-37.3175.5-71.2179.4-19.800111.8M227 N228 V229 Q234 H235M227-Q231 WeakPolarHBondContact O-CG 3.48Å; M227-Q231 PolarHBondContact O-N 3.25Å; N228-Q231 PolarHBondContact O-N 3.15Å; V229-Q231 PolarHBondContact O-N 2.87Å; Q231-Q234 WeakPolarHBondContact O-CB 3.47Å; Q231-Q234 PolarHBondContact O-N 2.92Å; Q231-H235 WeakPolarHBondContact O-CB 3.47Å; Q231-H235 PolarHBondContact O-N 3.36Å
232W91.4Very high93Very high70 Ų7048.3 Ų48.327%0.26525%0.253SS..Hα-helixtrans-66.8-43.7176.4-175.2-112000112.5N228 V229 W230 Q234 H235 K236 A447 P449N228-W232 VanDerWaalsContact O-CB 3.29Å; N228-W232 WeakPolarHBondContact O-CB 3.49Å; N228-W232 PolarHBondContact O-N 2.61Å; V229-W232 WeakPolarHBondContact O-CB 3.33Å; V229-W232 PolarHBondContact O-N 3.5Å; V229-W232 VanDerWaalsContact O-N 3.14Å; W230-W232 VanDerWaalsContact C-N 3.29Å; W230-W232 PolarHBondContact O-N 2.84Å; W232-Q234 VanDerWaalsContact C-N 3.33Å; W232-Q234 PolarHBondContact O-N 2.91Å; W232-H235 AromaticContact CE3-CD2 3.96Å; W232-H235 AromaticContact CZ3-CD2 3.61Å; W232-H235 WeakPolarHBondContact O-CA 3.48Å; W232-H235 WeakPolarHBondContact O-CB 3.47Å; W232-H235 PolarHBondContact O-N 2.98Å; W232-H235 VanDerWaalsContact O-N 3.11Å; W232-K236 VanDerWaalsContact CZ2-CE 3.41Å; W232-K236 PolarHBondContact O-N 3.06Å; W232-A447 HydrophobicContact CH2-CB 3.76Å; W232-A447 VanDerWaalsContact CH2-O 3.25Å; W232-A447 WeakPolarHBondContact CH2-O 3.34Å; W232-A447 HydrophobicContact CZ3-CB 4.09Å; W232-P449 HydrophobicContact CH2-CG 4.33Å; W232-P449 HydrophobicContact CZ2-CG 4.09Å
233E92.8Very high92.9Very high87 Ų8748.6 Ų48.641%0.40725%0.252SS..Hα-helixtrans-62.3-42.1174-69.8176.7170.500111V229 W230 H235 K236 S237 F243V229-E233 HydrophobicContact CG1-CG 4.43Å; V229-E233 WeakPolarHBondContact O-CG 3.17Å; V229-E233 PolarHBondContact O-N 2.83Å; W230-E233 PolarHBondContact O-N 2.67Å; E233-H235 VanDerWaalsContact C-N 3.26Å; E233-H235 PolarHBondContact O-N 3.13Å; E233-K236 PolarHBondContact O-N 3.06Å; E233-S237 PolarHBondContact O-N 3.29Å; E233-F243 HydrophobicContact CB-CD2 3.89Å; E233-F243 HydrophobicContact CB-CE2 4.46Å
234Q95.6Very high92.9Very high11 Ų1151.9 Ų51.95%0.05128%0.275CS..Hα-helixtrans-59.8-38.2172.6-165.6-164.853.300111.4W230 Q231 W232 S237 F243 V296 E297 Q422W230-Q234 PolarHBondContact O-N 3.45Å; Q231-Q234 WeakPolarHBondContact O-CB 3.47Å; Q231-Q234 PolarHBondContact O-N 2.92Å; W232-Q234 VanDerWaalsContact C-N 3.33Å; W232-Q234 PolarHBondContact O-N 2.91Å; Q234-S237 WeakPolarHBondContact O-CB 3.46Å; Q234-S237 PolarHBondContact O-N 3.22Å; Q234-S237 PolarHBondContact O-OG 2.87Å; Q234-F243 HydrophobicContact CB-CD2 4.13Å; Q234-F243 HydrophobicContact CB-CE1 4.21Å; Q234-F243 HydrophobicContact CB-CE2 3.56Å; Q234-F243 HydrophobicContact CB-CZ 3.6Å; Q234-F243 HydrophobicContact CG-CD1 4.5Å; Q234-F243 HydrophobicContact CG-CE1 3.86Å; Q234-F243 HydrophobicContact CG-CE2 4.13Å; Q234-F243 HydrophobicContact CG-CZ 3.64Å; Q234-V296 PolarHBondContact NE2-O 3.35Å; Q234-V296 PolarHBondContact OE1-O 3.49Å; Q234-E297 PolarHBondContact NE2-O 3.22Å; Q234-Q422 VanDerWaalsContact C-NE2 3.3Å; Q234-Q422 PolarHBondContact O-NE2 3.4Å
235H92.7Very high92.6Very high13 Ų1355.6 Ų55.66%0.0629%0.294CS..Hα-helixtrans-66.7-45.1176.2-178.963.9000112.5Q231 W232 E233 S237 V238 C444Q231-H235 WeakPolarHBondContact O-CB 3.47Å; Q231-H235 PolarHBondContact O-N 3.36Å; W232-H235 AromaticContact CE3-CD2 3.96Å; W232-H235 AromaticContact CZ3-CD2 3.61Å; W232-H235 WeakPolarHBondContact O-CA 3.48Å; W232-H235 WeakPolarHBondContact O-CB 3.47Å; W232-H235 PolarHBondContact O-N 2.98Å; W232-H235 VanDerWaalsContact O-N 3.11Å; E233-H235 VanDerWaalsContact C-N 3.26Å; E233-H235 PolarHBondContact O-N 3.13Å; H235-S237 PolarHBondContact O-N 2.8Å; H235-V238 WeakPolarHBondContact O-CB 3.49Å; H235-V238 WeakPolarHBondContact O-CG2 3.34Å; H235-V238 PolarHBondContact O-N 2.89Å; H235-C444 PolarHBondContact CE1-SG 3.27Å; H235-C444 WeakPolarHBondContact NE2-CA 3.44Å
236K91.1Very high92.5Very high39 Ų3956 Ų5617%0.1729%0.294CS..Hα-helixtrans-65.9-25.2174.8-70.9-64.7-171.8-1650112.8W232 E233 V238 I239 Y241 C444 A445W232-K236 VanDerWaalsContact CZ2-CE 3.41Å; W232-K236 PolarHBondContact O-N 3.06Å; E233-K236 PolarHBondContact O-N 3.06Å; K236-V238 PolarHBondContact O-N 2.93Å; K236-I239 HydrophobicContact CD-CD1 4.32Å; K236-I239 WeakPolarHBondContact O-CG1 3.36Å; K236-I239 PolarHBondContact O-N 3.33Å; K236-Y241 HydrophobicContact CB-CD2 3.92Å; K236-Y241 HydrophobicContact CB-CG 4.16Å; K236-Y241 HydrophobicContact CD-CD2 4.37Å; K236-Y241 HydrophobicContact CD-CE2 4.47Å; K236-Y241 PolarHBondContact O-N 3.21Å; K236-C444 PolarHBondContact NZ-O 3.44Å; K236-C444 VanDerWaalsContact NZ-O 3.09Å; K236-A445 PolarHBondContact NZ-O 3.01Å
237S94.6Very high92.5Very high40 Ų4050.6 Ų50.628%0.2827%0.27SS..Hα-helixtrans-60.6-25.4176.883.10000113.6E233 Q234 H235 I239 G240 Y241E233-S237 PolarHBondContact O-N 3.29Å; Q234-S237 WeakPolarHBondContact O-CB 3.46Å; Q234-S237 PolarHBondContact O-N 3.22Å; Q234-S237 PolarHBondContact O-OG 2.87Å; H235-S237 PolarHBondContact O-N 2.8Å; S237-I239 VanDerWaalsContact C-N 3.25Å; S237-I239 PolarHBondContact O-N 3.48Å; S237-G240 WeakPolarHBondContact O-CA 3.26Å; S237-G240 PolarHBondContact O-N 2.89Å; S237-Y241 WeakPolarHBondContact CA-O 3.31Å
238V92.8Very high92.3Very high27 Ų2753.9 Ų53.916%0.16429%0.291CS..THydrogen-bonded Turntrans-60.3-35177.41770000112.4H235 K236 G240 Q302 I440 C444H235-V238 WeakPolarHBondContact O-CB 3.49Å; H235-V238 WeakPolarHBondContact O-CG2 3.34Å; H235-V238 PolarHBondContact O-N 2.89Å; K236-V238 PolarHBondContact O-N 2.93Å; V238-G240 VanDerWaalsContact C-N 3.33Å; V238-Q302 HydrophobicContact CG1-CG 4.12Å; V238-Q302 HydrophobicContact CG2-CG 4.32Å; V238-I440 HydrophobicContact CG1-CG2 3.61Å; V238-C444 HydrophobicContact CB-CB 4.35Å; V238-C444 HydrophobicContact CG1-CB 4.49Å
239I93Very high92.2Very high1 Ų154.8 Ų54.81%0.00529%0.292CS..THydrogen-bonded Turntrans-92.83.2176.661.5169.1000112.6K236 S237 Y241 I441 C444 A445 T468 K472K236-I239 HydrophobicContact CD-CD1 4.32Å; K236-I239 WeakPolarHBondContact O-CG1 3.36Å; K236-I239 PolarHBondContact O-N 3.33Å; S237-I239 VanDerWaalsContact C-N 3.25Å; S237-I239 PolarHBondContact O-N 3.48Å; I239-Y241 HydrophobicContact CD1-CD2 3.79Å; I239-Y241 HydrophobicContact CD1-CE2 3.49Å; I239-Y241 VanDerWaalsContact CD1-CE2 3.49Å; I239-Y241 HydrophobicContact CG1-CD2 3.7Å; I239-Y241 HydrophobicContact CG1-CE2 3.93Å; I239-I441 HydrophobicContact CG2-CB 4.37Å; I239-I441 HydrophobicContact CG2-CG1 4.26Å; I239-I441 HydrophobicContact CG2-CG2 4.19Å; I239-C444 HydrophobicContact CG2-CB 3.68Å; I239-A445 HydrophobicContact CD1-CB 3.95Å; I239-T468 HydrophobicContact CD1-CG2 4.22Å; I239-K472 VanDerWaalsContact O-CA 3.3Å; I239-K472 WeakPolarHBondContact O-CA 3.36Å; I239-K472 PolarHBondContact O-N 2.99Å
240G92.5Very high92.3Very high16 Ų1652.4 Ų52.417%0.16528%0.277CS..THydrogen-bonded Turntrans105.89.1169.600000116.3S237 V238 S475S237-G240 WeakPolarHBondContact O-CA 3.26Å; S237-G240 PolarHBondContact O-N 2.89Å; V238-G240 VanDerWaalsContact C-N 3.33Å; G240-S475 VanDerWaalsContact CA-CB 3.41Å; G240-S475 WeakPolarHBondContact CA-OG 3.37Å
241Y91.1Very high92.2Very high87 Ų8752.1 Ų52.134%0.34128%0.276SS..  trans-65.8147.5171.9-77.5-88.5000111.4K236 S237 I239 V471K236-Y241 HydrophobicContact CB-CD2 3.92Å; K236-Y241 HydrophobicContact CB-CG 4.16Å; K236-Y241 HydrophobicContact CD-CD2 4.37Å; K236-Y241 HydrophobicContact CD-CE2 4.47Å; K236-Y241 PolarHBondContact O-N 3.21Å; S237-Y241 WeakPolarHBondContact CA-O 3.31Å; I239-Y241 HydrophobicContact CD1-CD2 3.79Å; I239-Y241 HydrophobicContact CD1-CE2 3.49Å; I239-Y241 VanDerWaalsContact CD1-CE2 3.49Å; I239-Y241 HydrophobicContact CG1-CD2 3.7Å; I239-Y241 HydrophobicContact CG1-CE2 3.93Å; Y241-V471 HydrophobicContact CD1-CG1 4.48Å; Y241-V471 HydrophobicContact CD2-CG1 3.99Å; Y241-V471 HydrophobicContact CE1-CG2 4.24Å; Y241-V471 HydrophobicContact CE2-CB 4.47Å; Y241-V471 HydrophobicContact CE2-CG1 4.01Å; Y241-V471 HydrophobicContact CE2-CG2 4.42Å; Y241-V471 HydrophobicContact CG-CG1 4.22Å
242P88.3Confident92Very high120 Ų12052.9 Ų52.978%0.77928%0.282SS*.  trans-57141.7172.2-22.333.1000111.4
243F92Very high92Very high63 Ų6349.9 Ų49.928%0.27627%0.27SS..  trans-147.8138.6-179.8167.5-112.8000110.2W230 E233 Q234 D245W230-F243 HydrophobicContact CD2-CE2 4.26Å; W230-F243 HydrophobicContact CD2-CZ 4.43Å; W230-F243 AromaticContact CE2-CE2 3.73Å; W230-F243 AromaticContact CE2-CZ 3.58Å; W230-F243 HydrophobicContact CG-CE2 4.44Å; W230-F243 HydrophobicContact CH2-CZ 4.22Å; W230-F243 HydrophobicContact CZ2-CE2 4.13Å; W230-F243 AromaticContact CZ2-CZ 3.49Å; W230-F243 HydrophobicContact CZ2-CZ 3.49Å; W230-F243 VanDerWaalsContact CZ2-CZ 3.49Å; W230-F243 AromaticContact NE1-CE2 3.55Å; W230-F243 AromaticContact NE1-CZ 3.68Å; E233-F243 HydrophobicContact CB-CD2 3.89Å; E233-F243 HydrophobicContact CB-CE2 4.46Å; Q234-F243 HydrophobicContact CB-CD2 4.13Å; Q234-F243 HydrophobicContact CB-CE1 4.21Å; Q234-F243 HydrophobicContact CB-CE2 3.56Å; Q234-F243 HydrophobicContact CB-CZ 3.6Å; Q234-F243 HydrophobicContact CG-CD1 4.5Å; Q234-F243 HydrophobicContact CG-CE1 3.86Å; Q234-F243 HydrophobicContact CG-CE2 4.13Å; Q234-F243 HydrophobicContact CG-CZ 3.64Å; F243-D245 HydrophobicContact CE1-CB 3.94Å; F243-D245 HydrophobicContact CZ-CB 4.42Å
244S92.8Very high92.1Very high69 Ų6945.7 Ų45.748%0.48325%0.251SS..  trans-104122.7172.1-177.10000109.6W230 D246W230-S244 PolarHBondContact NE1-O 3.4Å; S244-D246 PolarHBondContact O-N 3.48Å; S244-D246 PolarHBondContact OG-N 3.03Å
245D90.4Very high91.9Very high103 Ų10346.4 Ų46.455%0.55125%0.254SS*.  trans-82.74.4175.763.4-18.5000113.2F243 L247F243-D245 HydrophobicContact CE1-CB 3.94Å; F243-D245 HydrophobicContact CZ-CB 4.42Å; D245-L247 PolarHBondContact O-N 3.47Å
246D90.7Very high91.9Very high92 Ų9248.2 Ų48.249%0.49226%0.263SS..  trans-74.7109.2179.6-175.221.7000111.9S244 T248S244-D246 PolarHBondContact O-N 3.48Å; S244-D246 PolarHBondContact OG-N 3.03Å; D246-T248 WeakPolarHBondContact OD1-CB 3.28Å; D246-T248 PolarHBondContact OD1-N 3.4Å; D246-T248 PolarHBondContact OD1-OG1 3.38Å
247L93.2Very high92Very high0 Ų046.3 Ų46.30%026%0.255CS..  trans-99.14.1175.9-74.3166.5000112.9W230 D245 H249 L250 Q251 V295 L317W230-L247 HydrophobicContact CD2-CD2 3.61Å; W230-L247 HydrophobicContact CD2-CG 4.45Å; W230-L247 VanDerWaalsContact CE2-CD2 3.42Å; W230-L247 HydrophobicContact CE3-CD2 4.07Å; W230-L247 HydrophobicContact CG-CD2 4.03Å; W230-L247 HydrophobicContact CH2-CD1 3.88Å; W230-L247 HydrophobicContact CH2-CD2 4.22Å; W230-L247 HydrophobicContact CH2-CG 4.32Å; W230-L247 HydrophobicContact CZ2-CD1 3.66Å; W230-L247 HydrophobicContact CZ2-CD2 3.73Å; W230-L247 HydrophobicContact CZ2-CG 3.67Å; W230-L247 HydrophobicContact CZ3-CD2 4.38Å; D245-L247 PolarHBondContact O-N 3.47Å; L247-H249 PolarHBondContact O-N 3.3Å; L247-L250 HydrophobicContact CD2-CD1 3.96Å; L247-L250 PolarHBondContact O-N 2.97Å; L247-Q251 WeakPolarHBondContact O-CB 3.4Å; L247-Q251 PolarHBondContact O-N 3.2Å; L247-V295 HydrophobicContact CD1-CG2 3.91Å; L247-L317 HydrophobicContact CB-CD2 4.08Å; L247-L317 HydrophobicContact CD1-CD2 4.28Å
248T90.4Very high91.9Very high70 Ų7045.4 Ų45.443%0.42925%0.245SC..Hα-helixtrans-59.7-44.2-170.1-55.10000112.5D246 Q251 N252D246-T248 WeakPolarHBondContact OD1-CB 3.28Å; D246-T248 PolarHBondContact OD1-N 3.4Å; D246-T248 PolarHBondContact OD1-OG1 3.38Å; T248-Q251 PolarHBondContact O-N 3.04Å; T248-N252 VanDerWaalsContact O-CG 3.26Å; T248-N252 PolarHBondContact O-N 3.39Å; T248-N252 PolarHBondContact O-ND2 3.32Å
249H90.3Very high91.9Very high103 Ų10346 Ų4648%0.47725%0.254SS..Hα-helixtrans-63.7-46.7177.5-178.8-90.4000112.1D130 L247 Q251 N252 W253D130-H249 IonicContact OD2-CE1 2.77Å; L247-H249 PolarHBondContact O-N 3.3Å; H249-Q251 VanDerWaalsContact C-N 3.32Å; H249-Q251 PolarHBondContact O-N 3.46Å; H249-N252 PolarHBondContact O-N 2.91Å; H249-W253 AromaticContact CE1-CE3 3.99Å; H249-W253 PolarHBondContact O-N 2.84Å
250L93.1Very high91.9Very high17 Ų1746.1 Ų46.19%0.08925%0.254CS..Hα-helixtrans-65.7-36.3178.7-69.7172.2000111.8F223 K226 M227 W230 L247 W253 S254F223-L250 HydrophobicContact CD2-CD2 4.14Å; F223-L250 HydrophobicContact CE2-CB 4.25Å; F223-L250 HydrophobicContact CE2-CD2 4.2Å; F223-L250 WeakPolarHBondContact CE2-O 3.36Å; K226-L250 HydrophobicContact CB-CD2 3.8Å; M227-L250 HydrophobicContact CE-CB 3.86Å; M227-L250 HydrophobicContact CE-CD1 3.87Å; M227-L250 HydrophobicContact CE-CD2 4.39Å; M227-L250 HydrophobicContact CE-CG 4.26Å; M227-L250 HydrophobicContact SD-CD1 4.2Å; W230-L250 HydrophobicContact CB-CD1 4.1Å; W230-L250 HydrophobicContact CG-CD1 4.31Å; L247-L250 HydrophobicContact CD2-CD1 3.96Å; L247-L250 PolarHBondContact O-N 2.97Å; L250-W253 HydrophobicContact CD2-CE3 4.39Å; L250-W253 PolarHBondContact O-N 3.28Å; L250-S254 WeakPolarHBondContact O-CB 3.45Å; L250-S254 PolarHBondContact O-N 3.37Å; L250-S254 PolarHBondContact O-OG 3.46Å
251Q93.2Very high92Very high8 Ų845.4 Ų45.44%0.03725%0.247CC..Hα-helixtrans-59-56.8173.3-176.3171-32.700110.7L247 T248 H249 W253 S254 E255 L317 K368L247-Q251 WeakPolarHBondContact O-CB 3.4Å; L247-Q251 PolarHBondContact O-N 3.2Å; T248-Q251 PolarHBondContact O-N 3.04Å; H249-Q251 VanDerWaalsContact C-N 3.32Å; H249-Q251 PolarHBondContact O-N 3.46Å; Q251-W253 PolarHBondContact O-N 3.41Å; Q251-S254 PolarHBondContact O-N 3.46Å; Q251-S254 VanDerWaalsContact O-N 3.09Å; Q251-S254 PolarHBondContact O-OG 2.91Å; Q251-E255 HydrophobicContact CG-CG 4.4Å; Q251-E255 WeakPolarHBondContact CG-OE1 3.46Å; Q251-E255 PolarHBondContact NE2-OE1 3.47Å; Q251-E255 WeakPolarHBondContact O-CG 3.5Å; Q251-E255 PolarHBondContact O-N 2.87Å; Q251-L317 HydrophobicContact CB-CB 4.44Å; Q251-L317 HydrophobicContact CB-CD2 4.02Å; Q251-L317 HydrophobicContact CG-CB 4.31Å; Q251-L317 HydrophobicContact CG-CD2 4.41Å; Q251-L317 WeakPolarHBondContact CG-O 3.4Å; Q251-K368 PolarHBondContact NE2-O 3.23Å
252N90.5Very high92.1Very high74 Ų7442.8 Ų42.840%0.39624%0.241SC..Hα-helixtrans-57.5-36.5-179.9-69.2-22.3000112.2T248 H249 Q256T248-N252 VanDerWaalsContact O-CG 3.26Å; T248-N252 PolarHBondContact O-N 3.39Å; T248-N252 PolarHBondContact O-ND2 3.32Å; H249-N252 PolarHBondContact O-N 2.91Å; N252-Q256 WeakPolarHBondContact O-CG 3.2Å; N252-Q256 PolarHBondContact O-N 2.91Å; N252-Q256 PolarHBondContact O-NE2 3.33Å
253W91.9Very high92.3Very high7 Ų739.7 Ų39.73%0.02722%0.218CC..Hα-helixtrans-66.4-49.7176.2-168.1-7.3000111.2D130 L134 C219 N222 F223 K226 H249 L250 Q251 E255 Q256 L257D130-W253 HydrophobicContact CB-CD2 4.47Å; D130-W253 HydrophobicContact CB-CE3 4.35Å; D130-W253 HydrophobicContact CB-CH2 3.69Å; D130-W253 HydrophobicContact CB-CZ2 3.8Å; D130-W253 HydrophobicContact CB-CZ3 3.96Å; D130-W253 WeakPolarHBondContact OD1-CH2 3.46Å; D130-W253 WeakPolarHBondContact OD2-CH2 3.44Å; D130-W253 WeakPolarHBondContact OD2-CZ3 3.5Å; L134-W253 HydrophobicContact CD1-CG 4.25Å; C219-W253 PolarHBondContact SG-NE1 3.42Å; C219-W253 VanDerWaalsContact SG-NE1 3.45Å; N222-W253 HydrophobicContact CB-CH2 3.92Å; N222-W253 HydrophobicContact CB-CZ2 4.01Å; F223-W253 HydrophobicContact CB-CD2 4.06Å; F223-W253 HydrophobicContact CB-CE3 4.42Å; F223-W253 HydrophobicContact CB-CH2 4.43Å; F223-W253 HydrophobicContact CB-CZ2 4.08Å; F223-W253 HydrophobicContact CD2-CB 4.29Å; F223-W253 HydrophobicContact CD2-CD2 4.15Å; F223-W253 HydrophobicContact CD2-CE3 4.3Å; F223-W253 HydrophobicContact CD2-CG 4.16Å; K226-W253 HydrophobicContact CG-CH2 4.5Å; K226-W253 HydrophobicContact CG-CZ3 4.04Å; H249-W253 AromaticContact CE1-CE3 3.99Å; H249-W253 PolarHBondContact O-N 2.84Å; L250-W253 HydrophobicContact CD2-CE3 4.39Å; L250-W253 PolarHBondContact O-N 3.28Å; Q251-W253 PolarHBondContact O-N 3.41Å; W253-E255 VanDerWaalsContact C-N 3.34Å; W253-E255 PolarHBondContact O-N 2.87Å; W253-Q256 PolarHBondContact O-N 3.41Å; W253-L257 WeakPolarHBondContact O-CG 2.97Å; W253-L257 PolarHBondContact O-N 3.18Å
254S93.6Very high92.4Very high0 Ų036.7 Ų36.70%021%0.205CC..Hα-helixtrans-59-43.1179710000112.4L250 Q251 Q256 L257 F258 L317 L318L250-S254 WeakPolarHBondContact O-CB 3.45Å; L250-S254 PolarHBondContact O-N 3.37Å; L250-S254 PolarHBondContact O-OG 3.46Å; Q251-S254 PolarHBondContact O-N 3.46Å; Q251-S254 VanDerWaalsContact O-N 3.09Å; Q251-S254 PolarHBondContact O-OG 2.91Å; S254-Q256 VanDerWaalsContact C-N 3.33Å; S254-Q256 PolarHBondContact O-N 2.96Å; S254-L257 PolarHBondContact O-N 3.43Å; S254-F258 WeakPolarHBondContact O-CB 3.49Å; S254-F258 PolarHBondContact O-N 3.39Å; S254-L317 WeakPolarHBondContact OG-CB 3.45Å; S254-L318 VanDerWaalsContact O-CD2 3.26Å; S254-L318 WeakPolarHBondContact O-CD2 3.5Å
255E92.3Very high92.4Very high25 Ų2535.4 Ų35.412%0.11719%0.189CC..Hα-helixtrans-63.1-39.4177.9-70.4172.6174.700111.6Q251 W253 F258 A259Q251-E255 HydrophobicContact CG-CG 4.4Å; Q251-E255 WeakPolarHBondContact CG-OE1 3.46Å; Q251-E255 PolarHBondContact NE2-OE1 3.47Å; Q251-E255 WeakPolarHBondContact O-CG 3.5Å; Q251-E255 PolarHBondContact O-N 2.87Å; W253-E255 VanDerWaalsContact C-N 3.34Å; W253-E255 PolarHBondContact O-N 2.87Å; E255-F258 PolarHBondContact O-N 2.91Å; E255-A259 WeakPolarHBondContact O-CB 3.31Å; E255-A259 PolarHBondContact O-N 2.86Å
256Q91.8Very high92.5Very high51 Ų5135.6 Ų35.624%0.23819%0.187CC..Hα-helixtrans-69.7-39.4176.3-70.8176.560.300112.7L134 N252 W253 S254 F258 A259 V260L134-Q256 HydrophobicContact CD2-CB 3.53Å; N252-Q256 WeakPolarHBondContact O-CG 3.2Å; N252-Q256 PolarHBondContact O-N 2.91Å; N252-Q256 PolarHBondContact O-NE2 3.33Å; W253-Q256 PolarHBondContact O-N 3.41Å; S254-Q256 VanDerWaalsContact C-N 3.33Å; S254-Q256 PolarHBondContact O-N 2.96Å; Q256-F258 VanDerWaalsContact C-N 3.31Å; Q256-A259 PolarHBondContact O-N 3.29Å; Q256-V260 WeakPolarHBondContact O-CG2 3.43Å; Q256-V260 PolarHBondContact O-N 2.95Å
257L94.2Very high92.7Very high0 Ų031.2 Ų31.20%016%0.164CC..Hα-helixtrans-61.7-42.4173.3-72.3172.1000110.9L216 C219 Q220 F223 W253 S254 V260 N261 L289L216-L257 HydrophobicContact CD1-CD2 3.79Å; C219-L257 HydrophobicContact CB-CD2 4.12Å; Q220-L257 HydrophobicContact CB-CD1 4.36Å; F223-L257 HydrophobicContact CB-CD1 3.84Å; F223-L257 HydrophobicContact CD1-CD1 4.3Å; F223-L257 HydrophobicContact CG-CD1 4.04Å; W253-L257 WeakPolarHBondContact O-CG 2.97Å; W253-L257 PolarHBondContact O-N 3.18Å; S254-L257 PolarHBondContact O-N 3.43Å; L257-V260 PolarHBondContact O-N 3.18Å; L257-N261 WeakPolarHBondContact O-CB 3.3Å; L257-N261 PolarHBondContact O-N 3.03Å; L257-L289 HydrophobicContact CB-CD1 4.14Å; L257-L289 HydrophobicContact CB-CD2 3.76Å; L257-L289 HydrophobicContact CD1-CD1 4.02Å
258F93.1Very high92.7Very high20 Ų2033.6 Ų33.69%0.08817%0.172CC..Hα-helixtrans-61.5-45.1175.6174.8-93.6000111.7S254 E255 Q256 N261 S262 L286 L289 L318 S321 L322 I408S254-F258 WeakPolarHBondContact O-CB 3.49Å; S254-F258 PolarHBondContact O-N 3.39Å; E255-F258 PolarHBondContact O-N 2.91Å; Q256-F258 VanDerWaalsContact C-N 3.31Å; F258-N261 PolarHBondContact O-N 3.13Å; F258-S262 VanDerWaalsContact O-CB 3.28Å; F258-S262 WeakPolarHBondContact O-CB 3.1Å; F258-S262 PolarHBondContact O-N 2.92Å; F258-S262 PolarHBondContact O-OG 3.25Å; F258-L286 HydrophobicContact CD2-CD1 3.59Å; F258-L286 HydrophobicContact CE2-CD1 3.75Å; F258-L289 HydrophobicContact CB-CD2 3.92Å; F258-L318 HydrophobicContact CB-CD2 3.74Å; F258-L318 HydrophobicContact CD2-CD1 4.36Å; F258-L318 HydrophobicContact CG-CD2 4.36Å; F258-S321 VanDerWaalsContact CD1-CB 3.49Å; F258-L322 HydrophobicContact CE2-CD2 3.77Å; F258-L322 HydrophobicContact CE2-CG 4.12Å; F258-L322 HydrophobicContact CZ-CD2 3.72Å; F258-L322 HydrophobicContact CZ-CG 4.04Å; F258-I408 HydrophobicContact CE2-CD1 4.49Å
259A91.7Very high92.8Very high41 Ų4135.8 Ų35.834%0.33918%0.181SC..Hα-helixtrans-62-44.1177.300000111.9E255 Q256 S262 N263E255-A259 WeakPolarHBondContact O-CB 3.31Å; E255-A259 PolarHBondContact O-N 2.86Å; Q256-A259 PolarHBondContact O-N 3.29Å; A259-S262 PolarHBondContact O-N 3.28Å; A259-N263 WeakPolarHBondContact O-CB 3.49Å; A259-N263 PolarHBondContact O-N 3.48Å; A259-N263 PolarHBondContact O-ND2 3.36Å
260V93.9Very high92.9Very high3 Ų334.7 Ų34.72%0.01818%0.178CC..Hα-helixtrans-61.5-49.4175.7169.10000111L137 K138 V141 L216 Q256 L257 S262 N263 L264L137-V260 HydrophobicContact CB-CG1 4.02Å; L137-V260 HydrophobicContact CB-CG2 4.22Å; K138-V260 HydrophobicContact CG-CG2 4.12Å; V141-V260 HydrophobicContact CG2-CG1 4.19Å; L216-V260 HydrophobicContact CD1-CG1 4.02Å; Q256-V260 WeakPolarHBondContact O-CG2 3.43Å; Q256-V260 PolarHBondContact O-N 2.95Å; L257-V260 PolarHBondContact O-N 3.18Å; V260-S262 VanDerWaalsContact C-N 3.34Å; V260-S262 PolarHBondContact O-N 3.42Å; V260-N263 PolarHBondContact O-N 3.06Å; V260-L264 HydrophobicContact CG1-CD1 3.88Å; V260-L264 HydrophobicContact CG1-CG 4.4Å; V260-L264 WeakPolarHBondContact O-CB 3.25Å; V260-L264 VanDerWaalsContact O-CG 3.29Å; V260-L264 WeakPolarHBondContact O-CG 3.37Å; V260-L264 PolarHBondContact O-N 3.06Å
261N94.5Very high92.7Very high1 Ų134 Ų341%0.00518%0.175CC..Hα-helixtrans-59-46.5178.7-172.1-50.3000111.2L216 L257 F258 N263 L264 R265 L282 L286L216-N261 HydrophobicContact CD2-CB 4.21Å; L257-N261 WeakPolarHBondContact O-CB 3.3Å; L257-N261 PolarHBondContact O-N 3.03Å; F258-N261 PolarHBondContact O-N 3.13Å; N261-N263 PolarHBondContact O-N 2.76Å; N261-L264 PolarHBondContact O-N 2.99Å; N261-R265 WeakPolarHBondContact O-CB 3.29Å; N261-R265 PolarHBondContact O-N 3Å; N261-L282 PolarHBondContact ND2-O 3.47Å; N261-L282 PolarHBondContact OD1-O 3.42Å; N261-L286 PolarHBondContact ND2-N 3.19Å
262S91.7Very high92.3Very high31 Ų3135.8 Ų35.822%0.21719%0.187CC..Hα-helixtrans-61-45178.3-62.30000112.3F258 A259 V260 R265 Q266F258-S262 VanDerWaalsContact O-CB 3.28Å; F258-S262 WeakPolarHBondContact O-CB 3.1Å; F258-S262 PolarHBondContact O-N 2.92Å; F258-S262 PolarHBondContact O-OG 3.25Å; A259-S262 PolarHBondContact O-N 3.28Å; V260-S262 VanDerWaalsContact C-N 3.34Å; V260-S262 PolarHBondContact O-N 3.42Å; S262-R265 WeakPolarHBondContact O-CB 3.4Å; S262-R265 PolarHBondContact O-N 3.37Å; S262-Q266 WeakPolarHBondContact O-CG 3.36Å; S262-Q266 PolarHBondContact O-N 3.39Å
263N93.4Very high92.2Very high56 Ų5638.8 Ų38.830%0.29920%0.203SC..Hα-helixtrans-64.1-44.2177.2-71.3-22.7000111.4V141 A259 V260 N261 R265 Q266 E267V141-N263 HydrophobicContact CG1-CB 3.63Å; V141-N263 HydrophobicContact CG2-CB 4.45Å; A259-N263 WeakPolarHBondContact O-CB 3.49Å; A259-N263 PolarHBondContact O-N 3.48Å; A259-N263 PolarHBondContact O-ND2 3.36Å; V260-N263 PolarHBondContact O-N 3.06Å; N261-N263 PolarHBondContact O-N 2.76Å; N263-R265 VanDerWaalsContact C-N 3.29Å; N263-R265 PolarHBondContact O-N 3.44Å; N263-Q266 WeakPolarHBondContact O-CB 3.12Å; N263-Q266 PolarHBondContact O-N 2.93Å; N263-E267 WeakPolarHBondContact O-CG 3.31Å; N263-E267 PolarHBondContact O-N 3.25Å
264L94.9Very high92.2Very high0 Ų039.4 Ų39.40%021%0.207CC..Hα-helixtrans-60.7-39.5175.5-70.9171.1000111.9V141 L144 F209 T212 L216 V260 N261 E267 W268 L282V141-L264 HydrophobicContact CG2-CD2 3.8Å; V141-L264 HydrophobicContact CG2-CG 3.91Å; L144-L264 HydrophobicContact CD1-CD2 3.52Å; F209-L264 HydrophobicContact CD1-CD2 4.22Å; F209-L264 HydrophobicContact CE1-CB 4.17Å; F209-L264 HydrophobicContact CE1-CD2 3.89Å; F209-L264 WeakPolarHBondContact CE1-O 3.37Å; T212-L264 HydrophobicContact CG2-CD1 3.76Å; T212-L264 HydrophobicContact CG2-CD2 4.02Å; L216-L264 HydrophobicContact CD2-CD1 3.94Å; V260-L264 HydrophobicContact CG1-CD1 3.88Å; V260-L264 HydrophobicContact CG1-CG 4.4Å; V260-L264 WeakPolarHBondContact O-CB 3.25Å; V260-L264 VanDerWaalsContact O-CG 3.29Å; V260-L264 WeakPolarHBondContact O-CG 3.37Å; V260-L264 PolarHBondContact O-N 3.06Å; N261-L264 PolarHBondContact O-N 2.99Å; L264-E267 PolarHBondContact O-N 2.87Å; L264-W268 WeakPolarHBondContact O-CB 3.41Å; L264-W268 PolarHBondContact O-N 3.25Å; L264-L282 HydrophobicContact CB-CD1 4.15Å; L264-L282 HydrophobicContact CB-CD2 3.85Å; L264-L282 HydrophobicContact CD1-CD2 4.17Å
265R92.8Very high92.2Very high42 Ų4241.9 Ų41.916%0.15822%0.223CC..Hα-helixtrans-63.6-41.7175.6-174.2177.3179.293.3-3.2111.7N261 S262 N263 W268 L269 L282 T283 G410 H411N261-R265 WeakPolarHBondContact O-CB 3.29Å; N261-R265 PolarHBondContact O-N 3Å; S262-R265 WeakPolarHBondContact O-CB 3.4Å; S262-R265 PolarHBondContact O-N 3.37Å; N263-R265 VanDerWaalsContact C-N 3.29Å; N263-R265 PolarHBondContact O-N 3.44Å; R265-W268 PolarHBondContact O-N 3.47Å; R265-L269 WeakPolarHBondContact O-CG 3.31Å; R265-L269 PolarHBondContact O-N 3.31Å; R265-L282 HydrophobicContact CB-CD1 4.18Å; R265-T283 PolarHBondContact NH1-OG1 3.4Å; R265-G410 PolarHBondContact NH2-O 2.6Å; R265-H411 VanDerWaalsContact CZ-NE2 3.3Å; R265-H411 PolarHBondContact NE-NE2 3.31Å; R265-H411 PolarHBondContact NH1-CE1 3.27Å; R265-H411 PolarHBondContact NH2-CE1 2.87Å; R265-H411 VanDerWaalsContact NH2-CE1 3.3Å
266Q92.3Very high92.2Very high106 Ų10648.4 Ų48.450%0.49525%0.251SS..Hα-helixtrans-62.9-46.2174.4-72.8-178.3-5.300111.9S262 N263 W268 L269 L270S262-Q266 WeakPolarHBondContact O-CG 3.36Å; S262-Q266 PolarHBondContact O-N 3.39Å; N263-Q266 WeakPolarHBondContact O-CB 3.12Å; N263-Q266 PolarHBondContact O-N 2.93Å; Q266-W268 VanDerWaalsContact C-N 3.31Å; Q266-W268 PolarHBondContact O-N 2.9Å; Q266-L269 PolarHBondContact O-N 3.46Å; Q266-L270 VanDerWaalsContact O-CG 3.32Å; Q266-L270 WeakPolarHBondContact O-CG 3.39Å; Q266-L270 PolarHBondContact O-N 3.17Å
267E93.6Very high92.3Very high1 Ų151.1 Ų51.11%0.00526%0.264CS..Hα-helixtrans-62-39.9177-64.2-46.2126.900111.7L144 Q145 R148 F209 N263 L264 L269 L270 I271L144-E267 HydrophobicContact CB-CG 4.36Å; Q145-E267 HydrophobicContact CG-CG 4.13Å; Q145-E267 VanDerWaalsContact CG-OE1 3.28Å; Q145-E267 WeakPolarHBondContact CG-OE1 3.48Å; R148-E267 WeakPolarHBondContact CD-OE2 3.33Å; R148-E267 VanDerWaalsContact CZ-CD 3.48Å; R148-E267 IonicContact CZ-OE1 3.7Å; R148-E267 IonicContact CZ-OE2 3.82Å; R148-E267 IonicContact NE-OE2 2.95Å; R148-E267 PolarHBondContact NE-OE2 2.73Å; R148-E267 VanDerWaalsContact NH1-CD 3.28Å; R148-E267 IonicContact NH1-OE1 3.94Å; R148-E267 PolarHBondContact NH1-OE1 3.12Å; R148-E267 IonicContact NH1-OE2 2.66Å; R148-E267 PolarHBondContact NH1-OE2 3.44Å; R148-E267 VanDerWaalsContact NH1-OE2 3.13Å; R148-E267 IonicContact NH2-OE1 3.73Å; R148-E267 PolarHBondContact NH2-OE1 3.05Å; R148-E267 IonicContact NH2-OE2 3.24Å; R148-E267 PolarHBondContact NH2-OE2 2.93Å; F209-E267 HydrophobicContact CZ-CB 3.87Å; N263-E267 WeakPolarHBondContact O-CG 3.31Å; N263-E267 PolarHBondContact O-N 3.25Å; L264-E267 PolarHBondContact O-N 2.87Å; E267-L269 VanDerWaalsContact C-N 3.33Å; E267-L269 PolarHBondContact O-N 3.46Å; E267-L270 PolarHBondContact O-N 3.42Å; E267-I271 WeakPolarHBondContact O-CG1 3.2Å; E267-I271 PolarHBondContact O-N 2.87Å
268W94.3Very high92.3Very high49 Ų4951.7 Ų51.719%0.18627%0.266CS..Hα-helixtrans-62.7-37.5175.7170.277.8000112.6F209 L264 R265 Q266 P275 I278F209-W268 HydrophobicContact CE1-CB 4.19Å; F209-W268 HydrophobicContact CZ-CB 3.99Å; L264-W268 WeakPolarHBondContact O-CB 3.41Å; L264-W268 PolarHBondContact O-N 3.25Å; R265-W268 PolarHBondContact O-N 3.47Å; Q266-W268 VanDerWaalsContact C-N 3.31Å; Q266-W268 PolarHBondContact O-N 2.9Å; W268-P275 PolarHBondContact NE1-O 3.11Å; W268-I278 HydrophobicContact CB-CG2 4.32Å; W268-I278 HydrophobicContact CG-CG2 3.98Å
269L92.1Very high92.3Very high116 Ų11650.9 Ų50.961%0.60726%0.263SS*.Hα-helixtrans-70.1-33.3175.8-74.5168.1000113R265 Q266 E267R265-L269 WeakPolarHBondContact O-CG 3.31Å; R265-L269 PolarHBondContact O-N 3.31Å; Q266-L269 PolarHBondContact O-N 3.46Å; E267-L269 VanDerWaalsContact C-N 3.33Å; E267-L269 PolarHBondContact O-N 3.46Å
270L92.5Very high92.4Very high81 Ų8155.1 Ų55.142%0.42428%0.276SS..Hα-helixtrans-86.4-26.5-174.5-68.5171.8000113.4R148 Q266 E267 P272R148-L270 HydrophobicContact CG-CB 4.31Å; R148-L270 VanDerWaalsContact NH1-CD1 3.26Å; Q266-L270 VanDerWaalsContact O-CG 3.32Å; Q266-L270 WeakPolarHBondContact O-CG 3.39Å; Q266-L270 PolarHBondContact O-N 3.17Å; E267-L270 PolarHBondContact O-N 3.42Å; L270-P272 WeakPolarHBondContact O-CD 3.5Å
271I89.7Confident92.5Very high3 Ų361.1 Ų61.12%0.01530%0.302CS..SBendtrans-90.5113.2176-59.3165.4000108.5R148 C205 F209 E267 L274R148-I271 HydrophobicContact CB-CD1 4.08Å; R148-I271 HydrophobicContact CB-CG1 3.86Å; R148-I271 HydrophobicContact CG-CG1 3.94Å; C205-I271 HydrophobicContact CB-CD1 4.32Å; F209-I271 HydrophobicContact CE2-CD1 4.2Å; E267-I271 WeakPolarHBondContact O-CG1 3.2Å; E267-I271 PolarHBondContact O-N 2.87Å; I271-L274 HydrophobicContact CB-CD1 3.63Å; I271-L274 HydrophobicContact CB-CG 4.15Å; I271-L274 HydrophobicContact CD1-CD1 4.37Å; I271-L274 HydrophobicContact CG2-CD1 3.79Å; I271-L274 HydrophobicContact CG2-CD2 4.14Å; I271-L274 HydrophobicContact CG2-CG 3.8Å
272P84.3Confident92.5Very high45 Ų4561.1 Ų61.129%0.29230%0.302SS..THydrogen-bonded Turntrans-71.4162.8-178.232.2-36000111.8F151 L270 L274F151-P272 HydrophobicContact CE1-CG 3.38Å; F151-P272 HydrophobicContact CE2-CG 4.28Å; F151-P272 HydrophobicContact CZ-CG 3.24Å; L270-P272 WeakPolarHBondContact O-CD 3.5Å; P272-L274 PolarHBondContact O-N 3.04Å; P272-L274 VanDerWaalsContact O-N 3.14Å
273D87.6Confident92.6Very high137 Ų13761.4 Ų61.473%0.73330%0.303SS*.THydrogen-bonded Turntrans62.814.7174.9-51.3-45.2000115.6I202I202-D273 HydrophobicContact CD1-CB 4.39Å
274L91.5Very high92.6Very high20 Ų2060.5 Ų60.511%0.10531%0.307CS..  trans-74.5144.2167.4-64.4177.9000111.2I202 C205 L206 F209 I271 P272I202-L274 HydrophobicContact CG2-CD2 4.24Å; C205-L274 HydrophobicContact CB-CD2 4.48Å; L206-L274 HydrophobicContact CD2-CB 4.47Å; L206-L274 HydrophobicContact CD2-CD2 3.32Å; L206-L274 HydrophobicContact CD2-CG 4.47Å; L206-L274 HydrophobicContact CG-CD2 3.68Å; F209-L274 HydrophobicContact CD2-CD1 4.04Å; F209-L274 HydrophobicContact CE2-CD1 3.55Å; F209-L274 HydrophobicContact CZ-CD1 4.3Å; I271-L274 HydrophobicContact CB-CD1 3.63Å; I271-L274 HydrophobicContact CB-CG 4.15Å; I271-L274 HydrophobicContact CD1-CD1 4.37Å; I271-L274 HydrophobicContact CG2-CD1 3.79Å; I271-L274 HydrophobicContact CG2-CD2 4.14Å; I271-L274 HydrophobicContact CG2-CG 3.8Å; P272-L274 PolarHBondContact O-N 3.04Å; P272-L274 VanDerWaalsContact O-N 3.14Å
275P93.5Very high92.7Very high52 Ų5261.1 Ų61.134%0.33831%0.31SS..  trans-58.6146.4177-20.928.8000112.8L206 W268 E277 I278L206-P275 HydrophobicContact CD2-CG 3.77Å; W268-P275 PolarHBondContact NE1-O 3.11Å; P275-E277 VanDerWaalsContact C-N 3.27Å; P275-E277 WeakPolarHBondContact CB-OE2 3.4Å; P275-E277 PolarHBondContact O-N 3.35Å; P275-I278 PolarHBondContact O-N 3.21Å
276K92.4Very high92.7Very high161 Ų16159.2 Ų59.270%0.730%0.303SS*.Hα-helixtrans-70-27.3-179.7-68.9-175.9178.1-178.30112.4I278 G279 E280K276-I278 PolarHBondContact O-N 3Å; K276-I278 VanDerWaalsContact O-N 3.16Å; K276-G279 PolarHBondContact O-N 3.14Å; K276-E280 PolarHBondContact O-N 3.45Å; K276-E280 VanDerWaalsContact O-N 3.07Å
277E94.2Very high92.8Very high109 Ų10959.7 Ų59.751%0.50931%0.305SS..Hα-helixtrans-59.1-28.2179.8-62.180.2179.200112.1P275 K281P275-E277 VanDerWaalsContact C-N 3.27Å; P275-E277 WeakPolarHBondContact CB-OE2 3.4Å; P275-E277 PolarHBondContact O-N 3.35Å; E277-K281 WeakPolarHBondContact O-CB 3.19Å; E277-K281 VanDerWaalsContact O-CG 3.25Å; E277-K281 WeakPolarHBondContact O-CG 3.26Å; E277-K281 PolarHBondContact O-N 2.97Å
278I94.9Very high92.9Very high11 Ų1163.1 Ų63.16%0.05632%0.321CS..Hα-helixtrans-64.1-49173.6-66.6173.4000109.9L206 F209 L213 W268 P275 K276 E280 K281 L282L206-I278 HydrophobicContact CD2-CD1 3.91Å; F209-I278 HydrophobicContact CB-CD1 3.89Å; F209-I278 HydrophobicContact CD1-CG2 3.87Å; F209-I278 HydrophobicContact CD2-CD1 4.43Å; F209-I278 HydrophobicContact CE1-CG2 4.31Å; F209-I278 HydrophobicContact CG-CD1 4.17Å; F209-I278 HydrophobicContact CG-CG2 4.22Å; L213-I278 HydrophobicContact CD1-CB 4.49Å; L213-I278 HydrophobicContact CD1-CG1 4.38Å; L213-I278 HydrophobicContact CD1-CG2 4.16Å; W268-I278 HydrophobicContact CB-CG2 4.32Å; W268-I278 HydrophobicContact CG-CG2 3.98Å; P275-I278 PolarHBondContact O-N 3.21Å; K276-I278 PolarHBondContact O-N 3Å; K276-I278 VanDerWaalsContact O-N 3.16Å; I278-E280 VanDerWaalsContact C-N 3.35Å; I278-E280 PolarHBondContact O-N 3.4Å; I278-K281 PolarHBondContact O-N 3.09Å; I278-L282 HydrophobicContact CG2-CD1 4.09Å; I278-L282 WeakPolarHBondContact O-CG 3.45Å; I278-L282 PolarHBondContact O-N 2.74Å
279G92.4Very high93Very high3 Ų360.8 Ų60.83%0.03131%0.312CS..Hα-helixtrans-63.5-38.5177.900000112.8K276 T283K276-G279 PolarHBondContact O-N 3.14Å; G279-T283 WeakPolarHBondContact O-CB 3.39Å; G279-T283 PolarHBondContact O-N 3.43Å; G279-T283 PolarHBondContact O-OG1 2.87Å
280E93.3Very high93Very high130 Ų13055.3 Ų55.361%0.60728%0.284SS*.Hα-helixtrans-63.7-47.4174.7-68.4174176.700111.6K276 I278 L282 T283 G284K276-E280 PolarHBondContact O-N 3.45Å; K276-E280 VanDerWaalsContact O-N 3.07Å; I278-E280 VanDerWaalsContact C-N 3.35Å; I278-E280 PolarHBondContact O-N 3.4Å; E280-L282 PolarHBondContact O-N 2.93Å; E280-T283 WeakPolarHBondContact O-CB 3.38Å; E280-T283 PolarHBondContact O-N 2.7Å; E280-G284 PolarHBondContact O-N 3.22Å
281K95.9Very high93.1Very high130 Ų13054.5 Ų54.557%0.56528%0.278SS*.Hα-helixtrans-61.5-43.6176.2-74.9175-178.4-177.80112.5L213 E277 I278 T283 G284 L285L213-K281 HydrophobicContact CD1-CB 4.31Å; L213-K281 HydrophobicContact CD1-CD 4.21Å; E277-K281 WeakPolarHBondContact O-CB 3.19Å; E277-K281 VanDerWaalsContact O-CG 3.25Å; E277-K281 WeakPolarHBondContact O-CG 3.26Å; E277-K281 PolarHBondContact O-N 2.97Å; I278-K281 PolarHBondContact O-N 3.09Å; K281-T283 VanDerWaalsContact C-N 3.3Å; K281-T283 PolarHBondContact O-N 2.95Å; K281-G284 PolarHBondContact O-N 3.2Å; K281-L285 WeakPolarHBondContact O-CB 3.48Å; K281-L285 WeakPolarHBondContact O-CG 3.42Å; K281-L285 PolarHBondContact O-N 2.97Å
282L95.2Very high93.4Very high0 Ų055.3 Ų55.30%028%0.283CS..Hα-helixtrans-60.5-41.8175.3-74.5170000111.6L213 L216 N261 L264 R265 I278 E280 L285 L286L213-L282 HydrophobicContact CD2-CD2 3.44Å; L213-L282 VanDerWaalsContact CD2-CD2 3.44Å; L213-L282 HydrophobicContact CD2-CG 3.76Å; L216-L282 HydrophobicContact CD2-CD2 4.31Å; N261-L282 PolarHBondContact ND2-O 3.47Å; N261-L282 PolarHBondContact OD1-O 3.42Å; L264-L282 HydrophobicContact CB-CD1 4.15Å; L264-L282 HydrophobicContact CB-CD2 3.85Å; L264-L282 HydrophobicContact CD1-CD2 4.17Å; R265-L282 HydrophobicContact CB-CD1 4.18Å; I278-L282 HydrophobicContact CG2-CD1 4.09Å; I278-L282 WeakPolarHBondContact O-CG 3.45Å; I278-L282 PolarHBondContact O-N 2.74Å; E280-L282 PolarHBondContact O-N 2.93Å; L282-L285 PolarHBondContact O-N 3.03Å; L282-L286 VanDerWaalsContact O-CB 3.26Å; L282-L286 WeakPolarHBondContact O-CB 3.48Å; L282-L286 PolarHBondContact O-N 2.94Å
283T93.1Very high93.9Very high38 Ų3853.1 Ų53.123%0.23327%0.27CS..Hα-helixtrans-64.8-43.2177.8-53.80000111.4R265 G279 E280 K281 L286 Q287R265-T283 PolarHBondContact NH1-OG1 3.4Å; G279-T283 WeakPolarHBondContact O-CB 3.39Å; G279-T283 PolarHBondContact O-N 3.43Å; G279-T283 PolarHBondContact O-OG1 2.87Å; E280-T283 WeakPolarHBondContact O-CB 3.38Å; E280-T283 PolarHBondContact O-N 2.7Å; K281-T283 VanDerWaalsContact C-N 3.3Å; K281-T283 PolarHBondContact O-N 2.95Å; T283-L286 PolarHBondContact O-N 2.79Å; T283-Q287 WeakPolarHBondContact O-CB 3.45Å; T283-Q287 PolarHBondContact O-N 3.4Å
284G94.5Very high94.2Very high37 Ų3746.8 Ų46.838%0.38124%0.235SC..Hα-helixtrans-63.6-45.2176.300000112.6E280 K281 L286 Q287 E288E280-G284 PolarHBondContact O-N 3.22Å; K281-G284 PolarHBondContact O-N 3.2Å; G284-L286 VanDerWaalsContact C-N 3.33Å; G284-L286 PolarHBondContact O-N 3.34Å; G284-Q287 PolarHBondContact O-N 3.01Å; G284-E288 PolarHBondContact O-N 3.39Å
285L96.4Very high94.5Very high12 Ų1245.8 Ų45.86%0.06323%0.23CC..Hα-helixtrans-58.3-45.7173.5-77.9171.1000111.6L213 L216 K217 Q220 K281 L282 Q287 E288 L289L213-L285 HydrophobicContact CD2-CD1 4.05Å; L216-L285 HydrophobicContact CD2-CD1 3.89Å; L216-L285 HydrophobicContact CG-CD1 4.13Å; K217-L285 HydrophobicContact CB-CD2 3.95Å; K217-L285 HydrophobicContact CD-CD2 3.31Å; K217-L285 HydrophobicContact CG-CD2 4.23Å; Q220-L285 PolarHBondContact NE2-O 3.32Å; Q220-L285 PolarHBondContact OE1-O 3.36Å; K281-L285 WeakPolarHBondContact O-CB 3.48Å; K281-L285 WeakPolarHBondContact O-CG 3.42Å; K281-L285 PolarHBondContact O-N 2.97Å; L282-L285 PolarHBondContact O-N 3.03Å; L285-Q287 PolarHBondContact O-N 2.84Å; L285-E288 PolarHBondContact O-N 2.91Å; L285-L289 WeakPolarHBondContact O-CB 3.39Å; L285-L289 PolarHBondContact O-N 3.34Å
286L94.1Very high94.7Very high3 Ų343.4 Ų43.42%0.01622%0.215CC..Hα-helixtrans-62.6-43.1178.917859.7000111.4F258 N261 L282 T283 G284 E288 L289 I290 H411 F415F258-L286 HydrophobicContact CD2-CD1 3.59Å; F258-L286 HydrophobicContact CE2-CD1 3.75Å; N261-L286 PolarHBondContact ND2-N 3.19Å; L282-L286 VanDerWaalsContact O-CB 3.26Å; L282-L286 WeakPolarHBondContact O-CB 3.48Å; L282-L286 PolarHBondContact O-N 2.94Å; T283-L286 PolarHBondContact O-N 2.79Å; G284-L286 VanDerWaalsContact C-N 3.33Å; G284-L286 PolarHBondContact O-N 3.34Å; L286-E288 VanDerWaalsContact C-N 3.35Å; L286-E288 PolarHBondContact O-N 3.02Å; L286-L289 PolarHBondContact O-N 3.13Å; L286-I290 HydrophobicContact CD1-CD1 3.81Å; L286-I290 HydrophobicContact CD1-CG1 4.08Å; L286-I290 HydrophobicContact CD2-CD1 4.45Å; L286-I290 HydrophobicContact CG-CD1 3.67Å; L286-I290 HydrophobicContact CG-CG1 4.42Å; L286-I290 WeakPolarHBondContact O-CB 3.2Å; L286-I290 VanDerWaalsContact O-CD1 3.31Å; L286-I290 WeakPolarHBondContact O-CD1 3.48Å; L286-I290 WeakPolarHBondContact O-CG1 3.19Å; L286-I290 PolarHBondContact O-N 3.16Å; L286-H411 WeakPolarHBondContact CD2-NE2 3.37Å; L286-F415 HydrophobicContact CD2-CZ 4.34Å
287Q93.5Very high94.9Very high115 Ų11537.1 Ų37.154%0.53719%0.188SC..Hα-helixtrans-58.9-45.5176.5-177.6174.5-9.900111.9T283 G284 L285 I290 Q291 F415T283-Q287 WeakPolarHBondContact O-CB 3.45Å; T283-Q287 PolarHBondContact O-N 3.4Å; G284-Q287 PolarHBondContact O-N 3.01Å; L285-Q287 PolarHBondContact O-N 2.84Å; Q287-I290 PolarHBondContact O-N 3.01Å; Q287-Q291 WeakPolarHBondContact O-CB 3.11Å; Q287-Q291 PolarHBondContact O-N 3.2Å; Q287-F415 HydrophobicContact CB-CD1 4.21Å; Q287-F415 HydrophobicContact CB-CE1 3.93Å; Q287-F415 HydrophobicContact CG-CD1 4.16Å; Q287-F415 HydrophobicContact CG-CE1 4.31Å
288E95.6Very high95Very high74 Ų7438 Ų3835%0.34619%0.19SC..Hα-helixtrans-66.6-39.6178.4-177.3-179-148.400111.7K217 Q220 I224 G284 L285 L286 Q291 S292K217-E288 IonicContact NZ-OE1 3.53Å; K217-E288 IonicContact NZ-OE2 2.79Å; Q220-E288 PolarHBondContact NE2-OE2 3.32Å; Q220-E288 VanDerWaalsContact NE2-OE2 3.13Å; I224-E288 HydrophobicContact CD1-CG 3.69Å; G284-E288 PolarHBondContact O-N 3.39Å; L285-E288 PolarHBondContact O-N 2.91Å; L286-E288 VanDerWaalsContact C-N 3.35Å; L286-E288 PolarHBondContact O-N 3.02Å; E288-Q291 PolarHBondContact O-N 2.75Å; E288-S292 WeakPolarHBondContact O-CB 3.07Å; E288-S292 PolarHBondContact O-N 3.46Å; E288-S292 PolarHBondContact O-OG 3.37Å
289L95.6Very high95.1Very high0 Ų039.4 Ų39.40%020%0.196CC..Hα-helixtrans-64.3-44175.2-176.764.2000112.1Q220 F223 L257 F258 L285 L286 S292 S293 L318Q220-L289 HydrophobicContact CG-CD1 4.46Å; F223-L289 HydrophobicContact CD1-CD1 3.97Å; F223-L289 HydrophobicContact CE1-CD1 3.81Å; L257-L289 HydrophobicContact CB-CD1 4.14Å; L257-L289 HydrophobicContact CB-CD2 3.76Å; L257-L289 HydrophobicContact CD1-CD1 4.02Å; F258-L289 HydrophobicContact CB-CD2 3.92Å; L285-L289 WeakPolarHBondContact O-CB 3.39Å; L285-L289 PolarHBondContact O-N 3.34Å; L286-L289 PolarHBondContact O-N 3.13Å; L289-S292 WeakPolarHBondContact CA-OG 3.18Å; L289-S292 PolarHBondContact O-N 2.85Å; L289-S292 PolarHBondContact O-OG 2.78Å; L289-S292 VanDerWaalsContact O-OG 3.12Å; L289-S293 WeakPolarHBondContact O-CB 3.42Å; L289-S293 PolarHBondContact O-N 3.19Å; L289-S293 PolarHBondContact O-OG 3.41Å; L289-L318 HydrophobicContact CG-CD1 4.22Å
290I93Very high95.4Very high1 Ų139.3 Ų39.31%0.00520%0.195CC..Hα-helixtrans-60.7-46.7177.2-73.6160000110.8L286 Q287 L318 I408 F415 I417L286-I290 HydrophobicContact CD1-CD1 3.81Å; L286-I290 HydrophobicContact CD1-CG1 4.08Å; L286-I290 HydrophobicContact CD2-CD1 4.45Å; L286-I290 HydrophobicContact CG-CD1 3.67Å; L286-I290 HydrophobicContact CG-CG1 4.42Å; L286-I290 WeakPolarHBondContact O-CB 3.2Å; L286-I290 VanDerWaalsContact O-CD1 3.31Å; L286-I290 WeakPolarHBondContact O-CD1 3.48Å; L286-I290 WeakPolarHBondContact O-CG1 3.19Å; L286-I290 PolarHBondContact O-N 3.16Å; Q287-I290 PolarHBondContact O-N 3.01Å; I290-L318 HydrophobicContact CG1-CD1 4.13Å; I290-I408 HydrophobicContact CD1-CD1 3.19Å; I290-I408 HydrophobicContact CG1-CD1 4.06Å; I290-F415 HydrophobicContact CD1-CB 4.45Å; I290-F415 HydrophobicContact CD1-CD1 3.94Å; I290-F415 HydrophobicContact CD1-CD2 3.93Å; I290-F415 HydrophobicContact CD1-CE1 4.12Å; I290-F415 HydrophobicContact CD1-CE2 4.1Å; I290-F415 HydrophobicContact CD1-CG 3.84Å; I290-F415 HydrophobicContact CD1-CZ 4.18Å; I290-F415 HydrophobicContact CG2-CB 4.25Å; I290-I417 HydrophobicContact CG2-CG2 3.45Å; I290-I417 VanDerWaalsContact CG2-CG2 3.45Å
291Q94.6Very high95.6Very high63 Ų6336 Ų3629%0.29419%0.185SC..Hα-helixtrans-67.2-39.9-179.9176.857.348.400112.1Q287 E288 H418Q287-Q291 WeakPolarHBondContact O-CB 3.11Å; Q287-Q291 PolarHBondContact O-N 3.2Å; E288-Q291 PolarHBondContact O-N 2.75Å; Q291-H418 PolarHBondContact NE2-O 2.72Å
292S95.4Very high95.6Very high20 Ų2031.8 Ų31.814%0.1417%0.167CC..Hα-helixtrans-76.8-22.2-179.954.30000114.1E288 L289 F294E288-S292 WeakPolarHBondContact O-CB 3.07Å; E288-S292 PolarHBondContact O-N 3.46Å; E288-S292 PolarHBondContact O-OG 3.37Å; L289-S292 WeakPolarHBondContact CA-OG 3.18Å; L289-S292 PolarHBondContact O-N 2.85Å; L289-S292 PolarHBondContact O-OG 2.78Å; L289-S292 VanDerWaalsContact O-OG 3.12Å; S292-F294 PolarHBondContact O-N 3.08Å
293S95.2Very high95.7Very high0 Ų033 Ų330%018%0.175CC..THydrogen-bonded Turntrans-81.96.8178.6-62.60000114L289 Y316 L317L289-S293 WeakPolarHBondContact O-CB 3.42Å; L289-S293 PolarHBondContact O-N 3.19Å; L289-S293 PolarHBondContact O-OG 3.41Å; S293-Y316 WeakPolarHBondContact O-CD2 3.37Å; S293-L317 WeakPolarHBondContact O-CG 3.42Å; S293-L317 PolarHBondContact O-N 3.16Å
294F94.6Very high95.9Very high3 Ų331.5 Ų31.51%0.01317%0.165CC..EExtended strand (participates in β ladder)trans-114.1113.2-173-179.1-121.3000109.9S292 V314 Y316 M330 F402 I417 I419S292-F294 PolarHBondContact O-N 3.08Å; F294-V314 HydrophobicContact CD2-CG1 3.98Å; F294-V314 HydrophobicContact CE1-CG1 4.41Å; F294-V314 HydrophobicContact CE2-CB 4.49Å; F294-V314 HydrophobicContact CE2-CG1 3.15Å; F294-V314 HydrophobicContact CZ-CG1 3.39Å; F294-Y316 HydrophobicContact CB-CD2 4.04Å; F294-Y316 HydrophobicContact CB-CE2 4.4Å; F294-Y316 HydrophobicContact CD2-CD2 4.09Å; F294-M330 HydrophobicContact CE1-CE 4.28Å; F294-M330 HydrophobicContact CE2-CE 3.35Å; F294-M330 HydrophobicContact CE2-SD 4.04Å; F294-M330 HydrophobicContact CZ-CE 3.1Å; F294-M330 HydrophobicContact CZ-SD 4.35Å; F294-F402 HydrophobicContact CZ-CB 4.29Å; F294-I417 HydrophobicContact CB-CD1 4.23Å; F294-I417 HydrophobicContact CD1-CB 4.26Å; F294-I417 HydrophobicContact CD1-CD1 4.01Å; F294-I417 HydrophobicContact CD1-CG1 4.26Å; F294-I417 HydrophobicContact CD2-CD1 3.8Å; F294-I417 HydrophobicContact CE1-CD1 4.33Å; F294-I417 HydrophobicContact CE1-CG1 4.38Å; F294-I417 HydrophobicContact CE2-CD1 4.16Å; F294-I417 HydrophobicContact CG-CD1 3.75Å; F294-I417 HydrophobicContact CG-CG1 4.49Å; F294-I417 HydrophobicContact CZ-CD1 4.45Å; F294-I419 HydrophobicContact CD1-CB 3.84Å; F294-I419 HydrophobicContact CD1-CG2 3.75Å; F294-I419 HydrophobicContact CE1-CB 3.84Å; F294-I419 HydrophobicContact CE1-CG2 3.37Å; F294-I419 HydrophobicContact CZ-CG2 3.9Å; F294-I419 WeakPolarHBondContact O-CD1 3.27Å
295V96.7Very high96Very high0 Ų034 Ų340%017%0.166CC..EExtended strand (participates in β ladder)trans-134.5151.3-166.7-59.40000113.7M227 W230 L247 E297 V314 R315M227-V295 HydrophobicContact CG-CG1 4.3Å; M227-V295 HydrophobicContact SD-CG1 3.67Å; W230-V295 HydrophobicContact CZ3-CB 4.27Å; W230-V295 HydrophobicContact CZ3-CG2 4.44Å; L247-V295 HydrophobicContact CD1-CG2 3.91Å; V295-E297 PolarHBondContact O-N 3.13Å; V295-V314 CarbonylContact O-C 3.44Å; V295-V314 WeakPolarHBondContact O-CA 3.47Å; V295-V314 WeakPolarHBondContact O-CG1 3.25Å; V295-R315 HydrophobicContact CG2-CB 4.13Å; V295-R315 PolarHBondContact N-O 2.93Å; V295-R315 PolarHBondContact O-N 3.42Å
296V97.8Very high95.9Very high2 Ų234.5 Ų34.51%0.01217%0.169CC..EExtended strand (participates in β ladder)trans-85.995168.7-173.90000108.7Q234 Q299 V313 F402 I419Q234-V296 PolarHBondContact NE2-O 3.35Å; Q234-V296 PolarHBondContact OE1-O 3.49Å; V296-Q299 HydrophobicContact CG1-CG 4.41Å; V296-V313 CarbonylContact C-O 3.48Å; V296-F402 HydrophobicContact CG1-CE2 4.37Å; V296-F402 HydrophobicContact CG2-CD2 3.87Å; V296-F402 HydrophobicContact CG2-CE2 3.9Å; V296-I419 HydrophobicContact CG2-CD1 4.29Å; V296-I419 HydrophobicContact CG2-CG1 4.31Å; V296-I419 HydrophobicContact CG2-CG2 3.7Å
297E96.2Very high95.8Very high29 Ų2941.8 Ų41.814%0.13620%0.203CC..EExtended strand (participates in β ladder)trans-66.5-44.7-178.7-177.6177.1-134.200112.1Q234 V295 V313 R315 N371Q234-E297 PolarHBondContact NE2-O 3.22Å; V295-E297 PolarHBondContact O-N 3.13Å; E297-V313 PolarHBondContact N-O 3.12Å; E297-R315 HydrophobicContact CB-CB 3.86Å; E297-R315 VanDerWaalsContact OE1-CD 3.26Å; E297-R315 WeakPolarHBondContact OE1-CD 3.19Å; E297-R315 IonicContact OE1-CZ 3.46Å; E297-R315 IonicContact OE1-NE 2.64Å; E297-R315 IonicContact OE1-NH1 2.65Å; E297-R315 PolarHBondContact OE1-NH1 3.42Å; E297-N371 PolarHBondContact OE2-ND2 3.47Å
298K96.9Very high96Very high128 Ų12838.5 Ų38.556%0.55719%0.192SC*.EExtended strand (participates in β ladder)trans-119.3109.4172.9-59.5-171.8179.7-177.20109.7A312 V313K298-A312 WeakPolarHBondContact O-CA 3.4Å; K298-V313 HydrophobicContact CB-CB 3.82Å; K298-V313 HydrophobicContact CB-CG2 3.98Å; K298-V313 HydrophobicContact CD-CB 4.36Å; K298-V313 HydrophobicContact CD-CG2 3.92Å; K298-V313 HydrophobicContact CG-CB 4.04Å; K298-V313 HydrophobicContact CG-CG2 4.13Å; K298-V313 PolarHBondContact N-O 2.89Å; K298-V313 PolarHBondContact O-N 3.35Å
299Q97.6Very high96.1Very high39 Ų3942.7 Ų42.718%0.18221%0.209CC..PPolyproline II helixtrans-62148.1178.3-66.2-68.9-13.300111.2V296 Q422V296-Q299 HydrophobicContact CG1-CG 4.41Å; Q299-Q422 HydrophobicContact CG-CG 4.2Å
300P97.8Very high96.2Very high2 Ų243.3 Ų43.31%0.01321%0.212CC..PPolyproline II helixtrans-62.4160.4165.532.3-37.3000110Q302 I304 F310 A312 L400 V424P300-Q302 PolarHBondContact O-N 2.79Å; P300-Q302 PolarHBondContact O-NE2 2.83Å; P300-I304 HydrophobicContact CB-CD1 4.31Å; P300-F310 HydrophobicContact CB-CD2 4.12Å; P300-F310 HydrophobicContact CB-CE2 4.28Å; P300-A312 HydrophobicContact CB-CB 4.42Å; P300-L400 HydrophobicContact CB-CD1 3.77Å; P300-L400 HydrophobicContact CG-CD1 3.8Å; P300-L400 HydrophobicContact CG-CG 4.44Å; P300-V424 HydrophobicContact CG-CG1 3.88Å
301P97.1Very high96.4Very high59 Ų5946 Ų4638%0.38323%0.231SC..PPolyproline II helixtrans-53.9131.4168.6-22.633.2000110.3V303 I304 F310P301-V303 PolarHBondContact O-N 3.09Å; P301-I304 HydrophobicContact CB-CG1 4.47Å; P301-I304 WeakPolarHBondContact O-CG1 3.41Å; P301-F310 HydrophobicContact CG-CB 3.98Å
302Q96.8Very high96.6Very high43 Ų4343.1 Ų43.120%0.20122%0.218CC..SBendtrans-69.9-16.9-178.2-72.372.219.200112.7V238 P300 V424 V425 I440V238-Q302 HydrophobicContact CG1-CG 4.12Å; V238-Q302 HydrophobicContact CG2-CG 4.32Å; P300-Q302 PolarHBondContact O-N 2.79Å; P300-Q302 PolarHBondContact O-NE2 2.83Å; Q302-V424 CarbonylContact O-C 3.49Å; Q302-V424 WeakPolarHBondContact O-CA 3.42Å; Q302-V425 PolarHBondContact O-N 3.41Å; Q302-I440 HydrophobicContact CB-CB 4.39Å; Q302-I440 HydrophobicContact CB-CD1 3.94Å; Q302-I440 HydrophobicContact CB-CG1 3.89Å; Q302-I440 HydrophobicContact CB-CG2 3.67Å; Q302-I440 HydrophobicContact CG-CG2 3.95Å
303V97.6Very high96.7Very high26 Ų2642.9 Ų42.916%0.15822%0.216CC..EExtended strand (participates in β ladder)trans-119.3118.8167.6-177.50000108.6P301 V425 I427 A436 V437 I440P301-V303 PolarHBondContact O-N 3.09Å; V303-V425 WeakPolarHBondContact CA-O 3.07Å; V303-I427 HydrophobicContact CG1-CD1 3.63Å; V303-I427 HydrophobicContact CG1-CG1 3.97Å; V303-I427 HydrophobicContact CG1-CG2 4.03Å; V303-A436 HydrophobicContact CB-CB 4.48Å; V303-A436 HydrophobicContact CG1-CB 3.8Å; V303-A436 HydrophobicContact CG2-CB 3.8Å; V303-V437 HydrophobicContact CG2-CG2 3.82Å; V303-I440 HydrophobicContact CG2-CG1 4.3Å
304I97.4Very high96.8Very high5 Ų542.9 Ų42.93%0.02622%0.216CC..EExtended strand (participates in β ladder)trans-117.6117.9-175.9-54.3179.8000109.4P300 P301 F310 I379 V424 V425 V426 I427P300-I304 HydrophobicContact CB-CD1 4.31Å; P301-I304 HydrophobicContact CB-CG1 4.47Å; P301-I304 WeakPolarHBondContact O-CG1 3.41Å; I304-F310 HydrophobicContact CD1-CD1 4.41Å; I304-F310 HydrophobicContact CD1-CD2 4.19Å; I304-F310 HydrophobicContact CD1-CE1 4.25Å; I304-F310 HydrophobicContact CD1-CE2 4.02Å; I304-F310 HydrophobicContact CD1-CG 4.38Å; I304-F310 HydrophobicContact CD1-CZ 4.06Å; I304-F310 HydrophobicContact CG2-CD1 3.69Å; I304-F310 HydrophobicContact CG2-CE1 3.81Å; I304-F310 HydrophobicContact CG2-CG 4.4Å; I304-I379 HydrophobicContact CB-CD1 4.23Å; I304-I379 HydrophobicContact CD1-CD1 4.4Å; I304-I379 HydrophobicContact CG2-CD1 3.77Å; I304-I379 HydrophobicContact CG2-CG1 4.45Å; I304-V424 HydrophobicContact CD1-CB 4.26Å; I304-V424 HydrophobicContact CD1-CG1 4.29Å; I304-V424 HydrophobicContact CD1-CG2 4.23Å; I304-V425 PolarHBondContact N-O 3.03Å; I304-V426 CarbonylContact O-C 3.53Å; I304-V426 VanDerWaalsContact O-CA 3.31Å; I304-V426 WeakPolarHBondContact O-CA 3.44Å; I304-I427 PolarHBondContact O-N 2.94Å
305K96.1Very high96.8Very high91 Ų9143.4 Ų43.440%0.39622%0.218SC..EExtended strand (participates in β ladder)trans-78.5130169.6-175-177.3175-173.90110.6S308 I427 V428K305-S308 WeakPolarHBondContact CB-OG 3.23Å; K305-S308 WeakPolarHBondContact O-CB 3.5Å; K305-S308 PolarHBondContact O-N 3.37Å; K305-S308 PolarHBondContact O-OG 3.5Å; K305-I427 CarbonylContact C-O 3.49Å; K305-I427 VanDerWaalsContact CA-O 3.29Å; K305-I427 WeakPolarHBondContact CA-O 3.47Å; K305-I427 HydrophobicContact CB-CD1 4.35Å; K305-I427 HydrophobicContact CB-CG1 3.92Å; K305-I427 HydrophobicContact CG-CG1 4.38Å; K305-V428 VanDerWaalsContact CE-O 3.3Å; K305-V428 WeakPolarHBondContact CE-O 3.29Å
306T94.1Very high96.7Very high21 Ų2143.5 Ų43.513%0.12922%0.218CC..THydrogen-bonded Turntrans-52144.9173.955.10000111.2S308 I379 V426 I427 V428T306-S308 PolarHBondContact O-N 3.44Å; T306-I379 HydrophobicContact CG2-CG2 4.48Å; T306-V426 HydrophobicContact CG2-CG1 3.72Å; T306-I427 PolarHBondContact N-O 3.32Å; T306-V428 HydrophobicContact CG2-CG1 4.13Å
307Q93.1Very high96.5Very high156 Ų15643.4 Ų43.473%0.72922%0.218SC*.THydrogen-bonded Turntrans63.1-0.1-177-50.3173.83.300115S378 I379Q307-S378 VanDerWaalsContact CA-OG 3.27Å; Q307-S378 WeakPolarHBondContact CA-OG 3.31Å; Q307-S378 PolarHBondContact O-OG 3.2Å; Q307-I379 PolarHBondContact N-O 2.94Å
308S96.3Very high96.2Very high46 Ų4642 Ų4232%0.32221%0.211SC..  trans-84.6149.2171.8-54.90000109.8K305 T306 S378K305-S308 WeakPolarHBondContact CB-OG 3.23Å; K305-S308 WeakPolarHBondContact O-CB 3.5Å; K305-S308 PolarHBondContact O-N 3.37Å; K305-S308 PolarHBondContact O-OG 3.5Å; T306-S308 PolarHBondContact O-N 3.44Å; S308-S378 PolarHBondContact N-OG 3.28Å; S308-S378 WeakPolarHBondContact O-CB 3.4Å; S308-S378 PolarHBondContact O-OG 3.35Å
309K97.3Very high95.2Very high162 Ų16236.1 Ų36.170%0.70419%0.187SC*.  trans-84.5135176.7-68178.7179.6-1800109.8H376 M377K309-H376 HydrophobicContact CD-CB 4.18Å; K309-H376 HydrophobicContact CG-CB 4.49Å; K309-M377 CarbonylContact C-O 3.57Å; K309-M377 VanDerWaalsContact CA-O 3.29Å; K309-M377 WeakPolarHBondContact CA-O 3.46Å
310F97.8Very high93.9Very high13 Ų1337.4 Ų37.46%0.05719%0.193CC..EExtended strand (participates in β ladder)trans-140173.3172.365.9-84.8000110.4P300 P301 I304 L354 H376 M377 I379 L400P300-F310 HydrophobicContact CB-CD2 4.12Å; P300-F310 HydrophobicContact CB-CE2 4.28Å; P301-F310 HydrophobicContact CG-CB 3.98Å; I304-F310 HydrophobicContact CD1-CD1 4.41Å; I304-F310 HydrophobicContact CD1-CD2 4.19Å; I304-F310 HydrophobicContact CD1-CE1 4.25Å; I304-F310 HydrophobicContact CD1-CE2 4.02Å; I304-F310 HydrophobicContact CD1-CG 4.38Å; I304-F310 HydrophobicContact CD1-CZ 4.06Å; I304-F310 HydrophobicContact CG2-CD1 3.69Å; I304-F310 HydrophobicContact CG2-CE1 3.81Å; I304-F310 HydrophobicContact CG2-CG 4.4Å; F310-L354 HydrophobicContact CE1-CD2 4.44Å; F310-L354 HydrophobicContact CZ-CD2 3.94Å; F310-H376 CarbonylContact O-C 3.52Å; F310-H376 WeakPolarHBondContact O-CA 3.41Å; F310-H376 PolarHBondContact O-N 2.66Å; F310-M377 HydrophobicContact CD1-CB 4.35Å; F310-M377 VanDerWaalsContact CD1-O 3.26Å; F310-M377 WeakPolarHBondContact CD1-O 3.27Å; F310-M377 HydrophobicContact CD2-CB 4.15Å; F310-M377 HydrophobicContact CD2-CE 3.98Å; F310-M377 HydrophobicContact CE1-CB 3.96Å; F310-M377 HydrophobicContact CE2-CB 3.74Å; F310-M377 HydrophobicContact CE2-CE 3.48Å; F310-M377 VanDerWaalsContact CE2-CE 3.48Å; F310-M377 HydrophobicContact CE2-SD 4.26Å; F310-M377 HydrophobicContact CG-CB 4.44Å; F310-M377 HydrophobicContact CZ-CB 3.64Å; F310-M377 HydrophobicContact CZ-CE 4.32Å; F310-M377 PolarHBondContact N-O 3.04Å; F310-M377 PolarHBondContact O-N 2.82Å; F310-I379 HydrophobicContact CE1-CG1 4.1Å; F310-I379 HydrophobicContact CZ-CG1 4.4Å; F310-L400 HydrophobicContact CE2-CD1 3.59Å; F310-L400 HydrophobicContact CZ-CD1 4.2Å
311S98Very high92.5Very high58 Ų5839.6 Ų39.641%0.40621%0.208SC..EExtended strand (participates in β ladder)trans-138.7157.5-179.1-59.10000110.3F374S311-F374 CarbonylContact C-O 3.52Å; S311-F374 WeakPolarHBondContact CA-O 3.5Å; S311-F374 VanDerWaalsContact CB-O 3.25Å; S311-F374 WeakPolarHBondContact CB-O 3.06Å
312A98.3Very high91.2Very high2 Ų237.9 Ų37.92%0.01720%0.195CC..EExtended strand (participates in β ladder)trans-146155.8169.500000108.8K298 P300 F374 M377 F402K298-A312 WeakPolarHBondContact O-CA 3.4Å; P300-A312 HydrophobicContact CB-CB 4.42Å; A312-F374 PolarHBondContact N-O 3.37Å; A312-F374 PolarHBondContact O-N 2.9Å; A312-M377 HydrophobicContact CB-CE 3.83Å; A312-F402 HydrophobicContact CB-CE1 4.36Å; A312-F402 HydrophobicContact CB-CZ 3.78Å
313V97.8Very high89.3Confident15 Ų1540.3 Ų40.39%0.09121%0.213CC..EExtended strand (participates in β ladder)trans-125.5127.8175.7-176.20000108.7V296 E297 K298 N371 N373V296-V313 CarbonylContact C-O 3.48Å; E297-V313 PolarHBondContact N-O 3.12Å; K298-V313 HydrophobicContact CB-CB 3.82Å; K298-V313 HydrophobicContact CB-CG2 3.98Å; K298-V313 HydrophobicContact CD-CB 4.36Å; K298-V313 HydrophobicContact CD-CG2 3.92Å; K298-V313 HydrophobicContact CG-CB 4.04Å; K298-V313 HydrophobicContact CG-CG2 4.13Å; K298-V313 PolarHBondContact N-O 2.89Å; K298-V313 PolarHBondContact O-N 3.35Å; V313-N371 HydrophobicContact CG1-CB 4.06Å; V313-N373 WeakPolarHBondContact CG2-OD1 3.41Å
314V96.9Very high87.3Confident0 Ų041.6 Ų41.60%022%0.223CC..EExtended strand (participates in β ladder)trans-110133.2175-174.40000107.7F294 V295 M330 N371 A372 F374 F402 I419F294-V314 HydrophobicContact CD2-CG1 3.98Å; F294-V314 HydrophobicContact CE1-CG1 4.41Å; F294-V314 HydrophobicContact CE2-CB 4.49Å; F294-V314 HydrophobicContact CE2-CG1 3.15Å; F294-V314 HydrophobicContact CZ-CG1 3.39Å; V295-V314 CarbonylContact O-C 3.44Å; V295-V314 WeakPolarHBondContact O-CA 3.47Å; V295-V314 WeakPolarHBondContact O-CG1 3.25Å; V314-M330 HydrophobicContact CG1-CE 4.26Å; V314-M330 HydrophobicContact CG1-SD 4.46Å; V314-N371 CarbonylContact O-C 3.53Å; V314-N371 VanDerWaalsContact O-CA 3.26Å; V314-N371 WeakPolarHBondContact O-CA 3.19Å; V314-A372 PolarHBondContact N-O 3.31Å; V314-A372 PolarHBondContact O-N 3.11Å; V314-F374 HydrophobicContact CG2-CD2 4.24Å; V314-F374 HydrophobicContact CG2-CE2 3.92Å; V314-F402 HydrophobicContact CG2-CB 4.06Å; V314-F402 HydrophobicContact CG2-CD1 3.61Å; V314-F402 HydrophobicContact CG2-CD2 3.8Å; V314-F402 HydrophobicContact CG2-CE1 3.92Å; V314-F402 HydrophobicContact CG2-CE2 4.09Å; V314-F402 HydrophobicContact CG2-CG 3.54Å; V314-F402 HydrophobicContact CG2-CZ 4.15Å; V314-I419 HydrophobicContact CG1-CG2 4.46Å
315R95.2Very high85.5Confident14 Ų1445.2 Ų45.25%0.05326%0.261CS..EExtended strand (participates in β ladder)trans-116139.4-179.2176.8161.2178.2-177.4-3.5109.7V295 E297 L317 T369 N371V295-R315 HydrophobicContact CG2-CB 4.13Å; V295-R315 PolarHBondContact N-O 2.93Å; V295-R315 PolarHBondContact O-N 3.42Å; E297-R315 HydrophobicContact CB-CB 3.86Å; E297-R315 VanDerWaalsContact OE1-CD 3.26Å; E297-R315 WeakPolarHBondContact OE1-CD 3.19Å; E297-R315 IonicContact OE1-CZ 3.46Å; E297-R315 IonicContact OE1-NE 2.64Å; E297-R315 IonicContact OE1-NH1 2.65Å; E297-R315 PolarHBondContact OE1-NH1 3.42Å; R315-L317 HydrophobicContact CG-CD2 4Å; R315-T369 VanDerWaalsContact CZ-CG2 3.48Å; R315-N371 VanDerWaalsContact CB-OD1 3.26Å; R315-N371 WeakPolarHBondContact CB-OD1 3.46Å; R315-N371 WeakPolarHBondContact CD-OD1 3.41Å; R315-N371 WeakPolarHBondContact CG-OD1 3.24Å
316Y93.9Very high84.1Confident3 Ų347.4 Ų47.41%0.01227%0.273CS..EExtended strand (participates in β ladder)trans-116.1114.9172.9-173.1-134.1000109.8S293 F294 L318 G319 L322 L361 T370 I417S293-Y316 WeakPolarHBondContact O-CD2 3.37Å; F294-Y316 HydrophobicContact CB-CD2 4.04Å; F294-Y316 HydrophobicContact CB-CE2 4.4Å; F294-Y316 HydrophobicContact CD2-CD2 4.09Å; Y316-L318 VanDerWaalsContact C-N 3.3Å; Y316-L318 HydrophobicContact CE1-CB 3.92Å; Y316-L318 HydrophobicContact CE2-CB 4.19Å; Y316-L318 HydrophobicContact CE2-CD1 4.41Å; Y316-L318 HydrophobicContact CE2-CG 4.49Å; Y316-L318 PolarHBondContact O-N 2.9Å; Y316-G319 PolarHBondContact O-N 2.74Å; Y316-L322 HydrophobicContact CE1-CB 4.48Å; Y316-L322 HydrophobicContact CE1-CD1 3.33Å; Y316-L322 VanDerWaalsContact CZ-CD1 3.47Å; Y316-L322 WeakPolarHBondContact OH-CD1 3.27Å; Y316-L361 HydrophobicContact CD1-CD2 4Å; Y316-L361 HydrophobicContact CG-CD2 4.38Å; Y316-T370 PolarHBondContact N-O 3.3Å; Y316-I417 HydrophobicContact CE2-CD1 4.49Å
317L93.8Very high83.3Confident0 Ų050.9 Ų50.90%030%0.296CS..THydrogen-bonded Turntrans-74.1-21.6-171.2-57.9177.1000112.9M227 L247 Q251 S254 S293 R315 G319M227-L317 HydrophobicContact CE-CD1 3.27Å; M227-L317 HydrophobicContact SD-CD1 4.3Å; L247-L317 HydrophobicContact CB-CD2 4.08Å; L247-L317 HydrophobicContact CD1-CD2 4.28Å; Q251-L317 HydrophobicContact CB-CB 4.44Å; Q251-L317 HydrophobicContact CB-CD2 4.02Å; Q251-L317 HydrophobicContact CG-CB 4.31Å; Q251-L317 HydrophobicContact CG-CD2 4.41Å; Q251-L317 WeakPolarHBondContact CG-O 3.4Å; S254-L317 WeakPolarHBondContact OG-CB 3.45Å; S293-L317 WeakPolarHBondContact O-CG 3.42Å; S293-L317 PolarHBondContact O-N 3.16Å; R315-L317 HydrophobicContact CG-CD2 4Å; L317-G319 VanDerWaalsContact C-N 3.3Å; L317-G319 PolarHBondContact O-N 3.04Å
318L90Very high83.1Confident0 Ų045 Ų450%027%0.271CS..THydrogen-bonded Turntrans-90.68.2177.5-61175.9000113.4S254 F258 L289 I290 Y316 E320 S321 L322S254-L318 VanDerWaalsContact O-CD2 3.26Å; S254-L318 WeakPolarHBondContact O-CD2 3.5Å; F258-L318 HydrophobicContact CB-CD2 3.74Å; F258-L318 HydrophobicContact CD2-CD1 4.36Å; F258-L318 HydrophobicContact CG-CD2 4.36Å; L289-L318 HydrophobicContact CG-CD1 4.22Å; I290-L318 HydrophobicContact CG1-CD1 4.13Å; Y316-L318 VanDerWaalsContact C-N 3.3Å; Y316-L318 HydrophobicContact CE1-CB 3.92Å; Y316-L318 HydrophobicContact CE2-CB 4.19Å; Y316-L318 HydrophobicContact CE2-CD1 4.41Å; Y316-L318 HydrophobicContact CE2-CG 4.49Å; Y316-L318 PolarHBondContact O-N 2.9Å; L318-E320 VanDerWaalsContact C-N 3.31Å; L318-E320 PolarHBondContact O-N 3.42Å; L318-S321 PolarHBondContact O-N 3.32Å; L318-L322 HydrophobicContact CB-CD1 3.38Å; L318-L322 HydrophobicContact CB-CG 4.29Å; L318-L322 HydrophobicContact CD1-CD1 4.08Å; L318-L322 HydrophobicContact CG-CD1 4.39Å; L318-L322 WeakPolarHBondContact O-CB 3.48Å; L318-L322 PolarHBondContact O-N 3.21Å
319G76.2Confident82.9Confident4 Ų446.5 Ų46.54%0.04128%0.278CS..THydrogen-bonded Turntrans-59.9-35.2-17100000114.6Y316 L317 S321 V323 T370Y316-G319 PolarHBondContact O-N 2.74Å; L317-G319 VanDerWaalsContact C-N 3.3Å; L317-G319 PolarHBondContact O-N 3.04Å; G319-S321 VanDerWaalsContact C-N 3.31Å; G319-S321 PolarHBondContact O-N 3.41Å; G319-V323 WeakPolarHBondContact O-CG2 2.91Å; G319-T370 WeakPolarHBondContact CA-OG1 3.42Å
320E70.5Confident82.7Confident66 Ų6638.8 Ų38.831%0.30824%0.244SC..THydrogen-bonded Turntrans-64.7-35.6175.4174.8150.3-152.700112.4L318 R363L318-E320 VanDerWaalsContact C-N 3.31Å; L318-E320 PolarHBondContact O-N 3.42Å; E320-R363 IonicContact OE1-CZ 3.19Å; E320-R363 IonicContact OE1-NH2 2.69Å; E320-R363 PolarHBondContact OE1-NH2 3.49Å; E320-R363 IonicContact OE2-NH2 2.72Å
321S69.4Low82.6Confident48 Ų4844.1 Ų44.134%0.33627%0.268SS..THydrogen-bonded Turntrans-86.1-13.5-174.4-61.80000114.1F258 L318 G319F258-S321 VanDerWaalsContact CD1-CB 3.49Å; L318-S321 PolarHBondContact O-N 3.32Å; G319-S321 VanDerWaalsContact C-N 3.31Å; G319-S321 PolarHBondContact O-N 3.41Å
322L69.5Low82.5Confident22 Ų2241.5 Ų41.512%0.11525%0.25CC..  trans-1133.6-166.7-83.3165.7000115.9F258 Y316 L318 S324 I406 I408F258-L322 HydrophobicContact CE2-CD2 3.77Å; F258-L322 HydrophobicContact CE2-CG 4.12Å; F258-L322 HydrophobicContact CZ-CD2 3.72Å; F258-L322 HydrophobicContact CZ-CG 4.04Å; Y316-L322 HydrophobicContact CE1-CB 4.48Å; Y316-L322 HydrophobicContact CE1-CD1 3.33Å; Y316-L322 VanDerWaalsContact CZ-CD1 3.47Å; Y316-L322 WeakPolarHBondContact OH-CD1 3.27Å; L318-L322 HydrophobicContact CB-CD1 3.38Å; L318-L322 HydrophobicContact CB-CG 4.29Å; L318-L322 HydrophobicContact CD1-CD1 4.08Å; L318-L322 HydrophobicContact CG-CD1 4.39Å; L318-L322 WeakPolarHBondContact O-CB 3.48Å; L318-L322 PolarHBondContact O-N 3.21Å; L322-S324 VanDerWaalsContact C-N 3.29Å; L322-S324 PolarHBondContact O-N 3.04Å; L322-I406 HydrophobicContact CD1-CG2 4.49Å; L322-I408 HydrophobicContact CD2-CB 4.31Å; L322-I408 HydrophobicContact CD2-CD1 3.49Å; L322-I408 VanDerWaalsContact CD2-CD1 3.49Å; L322-I408 HydrophobicContact CD2-CG1 3.51Å; L322-I408 HydrophobicContact CD2-CG2 4.09Å
323V56.7Low82.4Confident95 Ų9542.9 Ų42.958%0.57626%0.256SS*.  trans-70.782.7-173.3-165.10000112.2G319G319-V323 WeakPolarHBondContact O-CG2 2.91Å
324S54.7Low82.2Confident52 Ų5242.3 Ų42.336%0.36425%0.252SS..  trans-64.8133.1145170.10000107.1L322 Q326L322-S324 VanDerWaalsContact C-N 3.29Å; L322-S324 PolarHBondContact O-N 3.04Å; S324-Q326 PolarHBondContact O-N 3.44Å
325G59.1Low82.1Confident81 Ų8142.3 Ų42.384%0.83525%0.252SS*.SBendtrans-63.120.1-16900000117.6
326Q68Low81.9Confident137 Ų13743.6 Ų43.664%0.6426%0.26SS*.SBendtrans-104133.6174.2-68.1-170.3-19.100111.7S324 V328S324-Q326 PolarHBondContact O-N 3.44Å; Q326-V328 PolarHBondContact O-N 3.27Å
327P77.8Confident81.7Confident95 Ų9545.7 Ų45.762%0.61727%0.27SS*.PPolyproline II helixtrans-67.5121.1176.826.7-32.2000110.7T329 I360P327-T329 PolarHBondContact O-N 3.46Å; P327-I360 HydrophobicContact CB-CG2 3.83Å
328V87.7Confident81.3Confident32 Ų3251 Ų5119%0.19430%0.298CS..PPolyproline II helixtrans-76.4117.2174.3173.90000109Q326 L361 A404 I406Q326-V328 PolarHBondContact O-N 3.27Å; V328-L361 HydrophobicContact CB-CB 4.07Å; V328-L361 HydrophobicContact CB-CD2 4.28Å; V328-L361 HydrophobicContact CG1-CB 4.35Å; V328-L361 HydrophobicContact CG1-CD2 4.31Å; V328-L361 PolarHBondContact O-N 2.95Å; V328-A404 HydrophobicContact CG1-CB 4.07Å; V328-I406 HydrophobicContact CB-CD1 4.44Å; V328-I406 HydrophobicContact CG1-CD1 3.67Å; V328-I406 HydrophobicContact CG2-CD1 4.09Å
329T92Very high81.3Confident77 Ų7751.5 Ų51.547%0.47230%0.3SS..EExtended strand (participates in β ladder)trans-91.2128174.4-590000110.5P327P327-T329 PolarHBondContact O-N 3.46Å
330M94.2Very high81.9Confident0 Ų051.5 Ų51.50%030%0.3CS..EExtended strand (participates in β ladder)trans-101.1146.3178-60.2-150.363.200111.3F294 V314 T358 A359 L361 A372 F374 F402 L403 A404F294-M330 HydrophobicContact CE1-CE 4.28Å; F294-M330 HydrophobicContact CE2-CE 3.35Å; F294-M330 HydrophobicContact CE2-SD 4.04Å; F294-M330 HydrophobicContact CZ-CE 3.1Å; F294-M330 HydrophobicContact CZ-SD 4.35Å; V314-M330 HydrophobicContact CG1-CE 4.26Å; V314-M330 HydrophobicContact CG1-SD 4.46Å; M330-T358 WeakPolarHBondContact O-CA 3.31Å; M330-A359 WeakPolarHBondContact CA-O 3.43Å; M330-A359 WeakPolarHBondContact CB-O 3.34Å; M330-A359 PolarHBondContact N-O 2.6Å; M330-A359 PolarHBondContact O-N 3.24Å; M330-L361 HydrophobicContact CG-CB 4.3Å; M330-L361 HydrophobicContact SD-CB 4.44Å; M330-L361 HydrophobicContact SD-CD1 4.17Å; M330-A372 HydrophobicContact CB-CB 4.27Å; M330-A372 HydrophobicContact CG-CB 3.88Å; M330-A372 HydrophobicContact SD-CB 3.3Å; M330-A372 WeakPolarHBondContact SD-CB 3.32Å; M330-F374 HydrophobicContact CB-CE2 4.25Å; M330-F374 HydrophobicContact CB-CZ 3.66Å; M330-F402 HydrophobicContact CE-CB 4.41Å; M330-L403 WeakPolarHBondContact CA-O 3.47Å; M330-A404 HydrophobicContact CE-CB 3.76Å; M330-A404 HydrophobicContact CG-CB 4.12Å
331K95.6Very high82.7Confident125 Ų12554 Ų5454%0.54331%0.306SS..EExtended strand (participates in β ladder)trans-123.3138.4175.1-59.6-172.6179.6174.60110.4H357 T358 F402 L403K331-H357 CarbonylContact C-O 3.55Å; K331-H357 WeakPolarHBondContact CA-O 3.42Å; K331-T358 HydrophobicContact CG-CG2 4.13Å; K331-F402 CarbonylContact O-C 3.46Å; K331-F402 WeakPolarHBondContact O-CA 3.45Å; K331-L403 PolarHBondContact N-O 2.98Å; K331-L403 PolarHBondContact O-N 3.36Å
332A96.1Very high83.4Confident4 Ų454.9 Ų54.93%0.03331%0.308CS..EExtended strand (participates in β ladder)trans-105.3140.2170.600000109.4H357 F374 M377 M401 F402A332-H357 HydrophobicContact CB-CB 4.4Å; A332-H357 PolarHBondContact N-O 2.9Å; A332-H357 WeakPolarHBondContact O-CB 3.14Å; A332-F374 HydrophobicContact CB-CD1 4.08Å; A332-F374 HydrophobicContact CB-CE1 3.75Å; A332-F374 HydrophobicContact CB-CZ 4.33Å; A332-M377 HydrophobicContact CB-SD 4.06Å; A332-M401 CarbonylContact C-O 3.56Å; A332-M401 WeakPolarHBondContact CA-O 3.11Å; A332-F402 HydrophobicContact CB-CD1 3.72Å; A332-F402 HydrophobicContact CB-CE1 3.74Å
333Q94.6Very high83.5Confident31 Ų3156 Ų5615%0.14532%0.315CS..EExtended strand (participates in β ladder)trans-136.7149.8171.262174.246.500110.3I335 A346 L400 M401 L403Q333-I335 HydrophobicContact CG-CG2 4.26Å; Q333-A346 PolarHBondContact NE2-O 3.29Å; Q333-L400 CarbonylContact O-C 3.4Å; Q333-L400 WeakPolarHBondContact O-CA 3.3Å; Q333-M401 HydrophobicContact CG-CB 3.92Å; Q333-M401 HydrophobicContact CG-CE 4.11Å; Q333-M401 PolarHBondContact N-O 2.88Å; Q333-M401 PolarHBondContact O-N 3.08Å; Q333-L403 HydrophobicContact CG-CD1 4.1Å
334I94.6Very high84.2Confident3 Ų357.2 Ų57.22%0.01532%0.318CS..EExtended strand (participates in β ladder)trans-91.9131175.4-172.1165.9000109.7G352 L354 I379 I382 F398 A399 L400 V426I334-G352 VanDerWaalsContact CG2-CA 3.42Å; I334-L354 HydrophobicContact CB-CD1 4.06Å; I334-L354 HydrophobicContact CB-CG 4.45Å; I334-L354 HydrophobicContact CG2-CD1 4.4Å; I334-L354 HydrophobicContact CG2-CG 4.42Å; I334-I379 HydrophobicContact CD1-CD1 3.73Å; I334-I379 HydrophobicContact CD1-CG1 4.34Å; I334-I382 HydrophobicContact CD1-CD1 3.67Å; I334-F398 HydrophobicContact CD1-CB 4.07Å; I334-F398 HydrophobicContact CD1-CD1 4.32Å; I334-F398 HydrophobicContact CD1-CG 4.22Å; I334-F398 HydrophobicContact CG1-CB 4.03Å; I334-F398 HydrophobicContact CG1-CD1 4.24Å; I334-F398 HydrophobicContact CG1-CG 4.39Å; I334-A399 WeakPolarHBondContact CA-O 3.35Å; I334-L400 HydrophobicContact CB-CD2 4.21Å; I334-V426 HydrophobicContact CD1-CG2 4Å
335I93.9Very high84.8Confident0 Ų058.4 Ų58.40%032%0.321CS..EExtended strand (participates in β ladder)trans-124.6149.5-178.760.1165.3000110.2Q333 Q339 A340 A346 F398 A399 M401 N420Q333-I335 HydrophobicContact CG-CG2 4.26Å; I335-Q339 HydrophobicContact CB-CB 3.9Å; I335-Q339 HydrophobicContact CG2-CB 4.35Å; I335-A340 HydrophobicContact CD1-CB 3.83Å; I335-A346 HydrophobicContact CG2-CB 3.96Å; I335-F398 CarbonylContact O-C 3.45Å; I335-F398 WeakPolarHBondContact O-CA 3.28Å; I335-F398 WeakPolarHBondContact O-CB 3.37Å; I335-A399 HydrophobicContact CD1-CB 4.49Å; I335-A399 HydrophobicContact CG1-CB 4.15Å; I335-A399 WeakPolarHBondContact CG1-O 3.4Å; I335-A399 PolarHBondContact N-O 3.2Å; I335-A399 PolarHBondContact O-N 3.03Å; I335-M401 HydrophobicContact CD1-CB 4.05Å; I335-M401 HydrophobicContact CD1-SD 4.49Å; I335-M401 HydrophobicContact CG1-CB 4.34Å; I335-M401 HydrophobicContact CG2-CB 4.16Å; I335-N420 WeakPolarHBondContact CD1-OD1 3.36Å
336N91.8Very high85.1Confident41 Ų4154.6 Ų54.622%0.21928%0.281CS..EExtended strand (participates in β ladder)trans-90.8-179.8172.566.616.5000111.7L338 Q339 A340 V351 F398N336-L338 VanDerWaalsContact C-N 3.35Å; N336-L338 PolarHBondContact O-N 2.98Å; N336-L338 PolarHBondContact OD1-N 2.93Å; N336-Q339 PolarHBondContact O-N 3.09Å; N336-Q339 WeakPolarHBondContact OD1-CB 3.5Å; N336-Q339 VanDerWaalsContact OD1-CG 3.3Å; N336-Q339 WeakPolarHBondContact OD1-CG 3.28Å; N336-Q339 PolarHBondContact OD1-N 2.86Å; N336-A340 PolarHBondContact O-N 3.25Å; N336-V351 HydrophobicContact CB-CG1 4.26Å; N336-V351 HydrophobicContact CB-CG2 4.4Å; N336-F398 HydrophobicContact CB-CD1 4.09Å; N336-F398 HydrophobicContact CB-CE1 4.09Å
337E88.9Confident85.2Confident46 Ų4653 Ų5322%0.21528%0.276CS..Hα-helixtrans-58.9-42.6-179.8-53.3-166.9-162.600113.9Q339 A340 R341 K397 F454E337-Q339 VanDerWaalsContact C-N 3.28Å; E337-Q339 PolarHBondContact O-N 2.87Å; E337-A340 PolarHBondContact O-N 2.8Å; E337-R341 VanDerWaalsContact O-CG 3.28Å; E337-R341 WeakPolarHBondContact O-CG 3.39Å; E337-R341 PolarHBondContact O-N 3.21Å; E337-R341 VanDerWaalsContact O-N 3.14Å; E337-R341 IonicContact OE2-NH2 2.96Å; E337-R341 PolarHBondContact OE2-NH2 3.38Å; E337-R341 VanDerWaalsContact OE2-NH2 3.09Å; E337-K397 HydrophobicContact CG-CB 4.08Å; E337-K397 WeakPolarHBondContact CG-O 3.47Å; E337-K397 WeakPolarHBondContact OE1-CB 3.33Å; E337-K397 WeakPolarHBondContact OE1-CE 3.25Å; E337-F454 HydrophobicContact CB-CD2 3.91Å; E337-F454 HydrophobicContact CG-CB 4.23Å; E337-F454 HydrophobicContact CG-CD2 3.72Å; E337-F454 HydrophobicContact CG-CG 4.39Å
338L87.3Confident84.4Confident111 Ų11153.4 Ų53.458%0.58128%0.28SS*.Hα-helixtrans-61.7-40.7-179.4-175.467.3000111.3N336 R341 N342N336-L338 VanDerWaalsContact C-N 3.35Å; N336-L338 PolarHBondContact O-N 2.98Å; N336-L338 PolarHBondContact OD1-N 2.93Å; L338-R341 PolarHBondContact O-N 3.14Å; L338-N342 PolarHBondContact O-N 3.35Å
339Q90Very high83.7Confident11 Ų1157.1 Ų57.15%0.05130%0.299CS..Hα-helixtrans-72.1-35.1177.5-72178.6-3400112.8I335 N336 E337 R341 N342 L345 A346 D349I335-Q339 HydrophobicContact CB-CB 3.9Å; I335-Q339 HydrophobicContact CG2-CB 4.35Å; N336-Q339 PolarHBondContact O-N 3.09Å; N336-Q339 WeakPolarHBondContact OD1-CB 3.5Å; N336-Q339 VanDerWaalsContact OD1-CG 3.3Å; N336-Q339 WeakPolarHBondContact OD1-CG 3.28Å; N336-Q339 PolarHBondContact OD1-N 2.86Å; E337-Q339 VanDerWaalsContact C-N 3.28Å; E337-Q339 PolarHBondContact O-N 2.87Å; Q339-R341 PolarHBondContact O-N 3.13Å; Q339-N342 CarbonylContact O-C 3.5Å; Q339-N342 PolarHBondContact O-N 3.44Å; Q339-N342 VanDerWaalsContact O-N 3.13Å; Q339-L345 HydrophobicContact CG-CB 4.49Å; Q339-A346 HydrophobicContact CB-CB 4.03Å; Q339-D349 PolarHBondContact NE2-O 3.38Å
340A88.6Confident83Confident5 Ų558.2 Ų58.24%0.04130%0.302CS..Hα-helixtrans-64.7-30174.700000112.5I335 N336 E337 N342 P453 F454I335-A340 HydrophobicContact CD1-CB 3.83Å; N336-A340 PolarHBondContact O-N 3.25Å; E337-A340 PolarHBondContact O-N 2.8Å; A340-N342 VanDerWaalsContact C-N 3.34Å; A340-P453 HydrophobicContact CB-CB 3.97Å; A340-F454 HydrophobicContact CB-CD2 4.02Å; A340-F454 HydrophobicContact CB-CE2 3.23Å; A340-F454 HydrophobicContact CB-CZ 3.84Å
341R85.9Confident82.7Confident117 Ų11758.8 Ų58.844%0.44231%0.305SS..Hα-helixtrans-74.8-23.3174.4-63.3173.3-165.7177.19.6113.1E337 L338 Q339 V452 P453E337-R341 VanDerWaalsContact O-CG 3.28Å; E337-R341 WeakPolarHBondContact O-CG 3.39Å; E337-R341 PolarHBondContact O-N 3.21Å; E337-R341 VanDerWaalsContact O-N 3.14Å; E337-R341 IonicContact OE2-NH2 2.96Å; E337-R341 PolarHBondContact OE2-NH2 3.38Å; E337-R341 VanDerWaalsContact OE2-NH2 3.09Å; L338-R341 PolarHBondContact O-N 3.14Å; Q339-R341 PolarHBondContact O-N 3.13Å; R341-V452 HydrophobicContact CB-CG1 4.46Å; R341-V452 HydrophobicContact CG-CG1 3.57Å; R341-P453 HydrophobicContact CG-CB 4.37Å
342N83.9Confident82.3Confident67 Ų6753.7 Ų53.736%0.35829%0.288SS..  trans-139.795.6-179-172.2-13.4000111L338 Q339 A340 N344 L345 A346L338-N342 PolarHBondContact O-N 3.35Å; Q339-N342 CarbonylContact O-C 3.5Å; Q339-N342 PolarHBondContact O-N 3.44Å; Q339-N342 VanDerWaalsContact O-N 3.13Å; A340-N342 VanDerWaalsContact C-N 3.34Å; N342-N344 PolarHBondContact O-N 3.22Å; N342-N344 VanDerWaalsContact O-N 3.11Å; N342-N344 WeakPolarHBondContact OD1-CB 3.47Å; N342-N344 PolarHBondContact OD1-N 3.11Å; N342-L345 HydrophobicContact CB-CB 4.33Å; N342-L345 HydrophobicContact CB-CD1 3.89Å; N342-L345 HydrophobicContact CB-CG 4.07Å; N342-L345 WeakPolarHBondContact O-CB 3.3Å; N342-L345 PolarHBondContact O-N 3.18Å; N342-A346 PolarHBondContact O-N 3.43Å
343V72.9Confident82.2Confident46 Ų4657.2 Ų57.228%0.27930%0.304SS..Hα-helixtrans-54.7-32.7-178-178.70000112.3L345 A346 L347 H418V343-L345 VanDerWaalsContact C-N 3.32Å; V343-L345 PolarHBondContact O-N 3.27Å; V343-A346 WeakPolarHBondContact O-CB 3.23Å; V343-A346 PolarHBondContact O-N 2.92Å; V343-L347 PolarHBondContact O-N 3.44Å; V343-H418 WeakPolarHBondContact CG2-NE2 3.32Å
344N70.3Confident82.1Confident120 Ų12056.6 Ų56.664%0.64230%0.301SS*.Hα-helixtrans-66.1-35177.7-67.2-31.5000112.1N342 A346 L347N342-N344 PolarHBondContact O-N 3.22Å; N342-N344 VanDerWaalsContact O-N 3.11Å; N342-N344 WeakPolarHBondContact OD1-CB 3.47Å; N342-N344 PolarHBondContact OD1-N 3.11Å; N344-A346 VanDerWaalsContact C-N 3.34Å; N344-L347 PolarHBondContact O-N 3.41Å
345L66.8Low82.2Confident78 Ų7859.8 Ų59.841%0.40832%0.318SS..Hα-helixtrans-71.3-31.4174.1-67177.3000112Q339 N342 V343 L347 C348Q339-L345 HydrophobicContact CG-CB 4.49Å; N342-L345 HydrophobicContact CB-CB 4.33Å; N342-L345 HydrophobicContact CB-CD1 3.89Å; N342-L345 HydrophobicContact CB-CG 4.07Å; N342-L345 WeakPolarHBondContact O-CB 3.3Å; N342-L345 PolarHBondContact O-N 3.18Å; V343-L345 VanDerWaalsContact C-N 3.32Å; V343-L345 PolarHBondContact O-N 3.27Å; L345-L347 PolarHBondContact O-N 3.04Å; L345-C348 PolarHBondContact O-N 3.07Å
346A67.4Low82.2Confident0 Ų064 Ų640%034%0.34CS..Hα-helixtrans-63.2-26.2176.700000112.6Q333 I335 Q339 N342 V343 N344 M401Q333-A346 PolarHBondContact NE2-O 3.29Å; I335-A346 HydrophobicContact CG2-CB 3.96Å; Q339-A346 HydrophobicContact CB-CB 4.03Å; N342-A346 PolarHBondContact O-N 3.43Å; V343-A346 WeakPolarHBondContact O-CB 3.23Å; V343-A346 PolarHBondContact O-N 2.92Å; N344-A346 VanDerWaalsContact C-N 3.34Å; A346-M401 HydrophobicContact CB-CE 3.78Å; A346-M401 HydrophobicContact CB-SD 3.97Å
347L68.4Low82.4Confident105 Ų10565.5 Ų65.555%0.5535%0.346SS..THydrogen-bonded Turntrans-85.2-11.3-179.6-65.2170.1000113.8V343 N344 L345 M401 L403V343-L347 PolarHBondContact O-N 3.44Å; N344-L347 PolarHBondContact O-N 3.41Å; L345-L347 PolarHBondContact O-N 3.04Å; L347-M401 HydrophobicContact CD2-CE 4.09Å; L347-L403 HydrophobicContact CD2-CD1 4.38Å; L347-L403 HydrophobicContact CD2-CD2 4.25Å
348C62.4Low82.8Confident102 Ų10266.9 Ų66.969%0.68936%0.358SS*.THydrogen-bonded Turntrans-98.6-36.1-175.3-710000114L345L345-C348 PolarHBondContact O-N 3.07Å
349D71.5Confident83.2Confident110 Ų11062.1 Ų62.159%0.58833%0.334SS*.  trans-131.3131-172-83.9-40.8000113.4Q339Q339-D349 PolarHBondContact NE2-O 3.38Å
350N77.8Confident83.3Confident100 Ų10065.1 Ų65.154%0.53535%0.349SS..  trans-88.3121.3174.2-74.4-26.7000111.2K383N350-K383 PolarHBondContact O-NZ 3.04Å
351V88.3Confident83.4Confident13 Ų1365.9 Ų65.98%0.07935%0.353CS..SBendtrans-85.8-16.6175.1179.80000111.7N336 I382 K383 F398N336-V351 HydrophobicContact CB-CG1 4.26Å; N336-V351 HydrophobicContact CB-CG2 4.4Å; V351-I382 CarbonylContact O-C 3.59Å; V351-K383 HydrophobicContact CG1-CB 4.45Å; V351-K383 WeakPolarHBondContact CG1-O 3.14Å; V351-K383 WeakPolarHBondContact O-CB 3.49Å; V351-K383 PolarHBondContact O-N 3.33Å; V351-F398 HydrophobicContact CG1-CD1 4.31Å; V351-F398 HydrophobicContact CG1-CE1 3.76Å
352G87.9Confident83.5Confident17 Ų1764.8 Ų64.818%0.17536%0.356CS..EExtended strand (participates in β ladder)trans-156.5166.5173.600000114.1I334 K381I334-G352 VanDerWaalsContact CG2-CA 3.42Å; G352-K381 CarbonylContact C-O 3.52Å; G352-K381 WeakPolarHBondContact CA-O 3.47Å
353E92.2Very high83.7Confident79 Ų7966.7 Ų66.737%0.36936%0.358SS..EExtended strand (participates in β ladder)trans-104.3110.4178.3-172.4-173.2171.200109K380 K381E353-K380 HydrophobicContact CB-CB 4.37Å; E353-K380 HydrophobicContact CG-CB 4.37Å; E353-K380 PolarHBondContact O-N 3.14Å; E353-K380 WeakPolarHBondContact OE1-CD 3.39Å; E353-K380 WeakPolarHBondContact OE1-CE 3.48Å; E353-K380 IonicContact OE1-NZ 3.8Å; E353-K380 PolarHBondContact OE1-NZ 3.3Å; E353-K380 IonicContact OE2-NZ 2.93Å; E353-K381 HydrophobicContact CB-CB 4.27Å; E353-K381 PolarHBondContact N-O 2.96Å
354L94.3Very high84.4Confident17 Ų1768 Ų689%0.08936%0.363CS..EExtended strand (participates in β ladder)trans-99132.6175.9-77.6164.3000111.6F310 I334 H357 S378 I379 L400F310-L354 HydrophobicContact CE1-CD2 4.44Å; F310-L354 HydrophobicContact CZ-CD2 3.94Å; I334-L354 HydrophobicContact CB-CD1 4.06Å; I334-L354 HydrophobicContact CB-CG 4.45Å; I334-L354 HydrophobicContact CG2-CD1 4.4Å; I334-L354 HydrophobicContact CG2-CG 4.42Å; L354-H357 HydrophobicContact CB-CB 3.72Å; L354-H357 PolarHBondContact O-ND1 2.83Å; L354-S378 WeakPolarHBondContact CA-O 3.22Å; L354-I379 HydrophobicContact CD2-CG1 3.61Å; L354-L400 HydrophobicContact CD1-CD2 3.84Å; L354-L400 HydrophobicContact CD2-CD2 4.36Å
355I95.6Very high85Confident70 Ų7067.7 Ų67.736%0.35937%0.366SS..EExtended strand (participates in β ladder)trans-92145.5171-55.8173.3000108.7H357 M377 S378 K380I355-H357 PolarHBondContact O-N 2.78Å; I355-M377 WeakPolarHBondContact O-CA 3.47Å; I355-S378 PolarHBondContact N-O 2.84Å; I355-S378 PolarHBondContact O-N 2.92Å; I355-K380 HydrophobicContact CD1-CB 3.98Å; I355-K380 HydrophobicContact CD1-CD 4.06Å; I355-K380 HydrophobicContact CD1-CG 4.39Å; I355-K380 HydrophobicContact CG1-CB 4.13Å; I355-K380 HydrophobicContact CG1-CD 4.41Å
356N95Very high85.9Confident89 Ų8968.4 Ų68.448%0.47638%0.383SS..SBendtrans55.438-179.2-58.9-26.8000113.1T358 H376 M377N356-T358 PolarHBondContact O-N 2.64Å; N356-H376 PolarHBondContact ND2-O 2.95Å; N356-M377 VanDerWaalsContact O-CG 3.32Å; N356-M377 WeakPolarHBondContact O-CG 3.36Å
357H94.7Very high86.7Confident73 Ų7372.4 Ų72.434%0.33841%0.408SS..  trans-83.714.8-17369.7-93.3000113.8K331 A332 L354 I355 F374K331-H357 CarbonylContact C-O 3.55Å; K331-H357 WeakPolarHBondContact CA-O 3.42Å; A332-H357 HydrophobicContact CB-CB 4.4Å; A332-H357 PolarHBondContact N-O 2.9Å; A332-H357 WeakPolarHBondContact O-CB 3.14Å; L354-H357 HydrophobicContact CB-CB 3.72Å; L354-H357 PolarHBondContact O-ND1 2.83Å; I355-H357 PolarHBondContact O-N 2.78Å; H357-F374 WeakPolarHBondContact O-CE1 3.47Å
358T96.8Very high87.5Confident75 Ų7573.3 Ų73.346%0.4641%0.407SS..EExtended strand (participates in β ladder)trans-126.4140.9-179.960.10000110.5M330 K331 N356M330-T358 WeakPolarHBondContact O-CA 3.31Å; K331-T358 HydrophobicContact CG-CG2 4.13Å; N356-T358 PolarHBondContact O-N 2.64Å
359A95.9Very high88.8Confident10 Ų1069.1 Ų69.18%0.08338%0.379CS..EExtended strand (participates in β ladder)trans-142.4152.8175.600000109.9M330 A372 F374M330-A359 WeakPolarHBondContact CA-O 3.43Å; M330-A359 WeakPolarHBondContact CB-O 3.34Å; M330-A359 PolarHBondContact N-O 2.6Å; M330-A359 PolarHBondContact O-N 3.24Å; A359-A372 HydrophobicContact CB-CB 4.08Å; A359-F374 HydrophobicContact CB-CD1 3.81Å; A359-F374 HydrophobicContact CB-CD2 3.9Å; A359-F374 HydrophobicContact CB-CE1 3.79Å; A359-F374 HydrophobicContact CB-CE2 3.88Å; A359-F374 HydrophobicContact CB-CG 3.86Å; A359-F374 HydrophobicContact CB-CZ 3.83Å
360I92.7Very high89.8Confident74 Ų7464.3 Ų64.338%0.37935%0.353SS..EExtended strand (participates in β ladder)trans-90.9139.3173.3-58.6175.4000107.8P327 D362 A372P327-I360 HydrophobicContact CB-CG2 3.83Å; I360-D362 VanDerWaalsContact CG2-OD1 3.28Å; I360-D362 WeakPolarHBondContact CG2-OD1 3.4Å; I360-D362 PolarHBondContact O-N 3.11Å; I360-A372 WeakPolarHBondContact O-CA 3.37Å
361L90.8Very high90.6Very high22 Ų2260.4 Ų60.412%0.11533%0.332CS..EExtended strand (participates in β ladder)trans-77.698.6172.5-174.465.4000108.6Y316 V328 M330 T370 A372Y316-L361 HydrophobicContact CD1-CD2 4Å; Y316-L361 HydrophobicContact CG-CD2 4.38Å; V328-L361 HydrophobicContact CB-CB 4.07Å; V328-L361 HydrophobicContact CB-CD2 4.28Å; V328-L361 HydrophobicContact CG1-CB 4.35Å; V328-L361 HydrophobicContact CG1-CD2 4.31Å; V328-L361 PolarHBondContact O-N 2.95Å; M330-L361 HydrophobicContact CG-CB 4.3Å; M330-L361 HydrophobicContact SD-CB 4.44Å; M330-L361 HydrophobicContact SD-CD1 4.17Å; L361-T370 HydrophobicContact CD1-CG2 3.8Å; L361-T370 HydrophobicContact CD2-CG2 3.96Å; L361-T370 HydrophobicContact CG-CG2 3.53Å; L361-A372 HydrophobicContact CD1-CB 4.16Å
362D89.2Confident90.9Very high94 Ų9459.8 Ų59.850%0.50333%0.328SS..EExtended strand (participates in β ladder)trans-102.7136-172.3-71.4-34.2000111.5I360 T370 N371I360-D362 VanDerWaalsContact CG2-OD1 3.28Å; I360-D362 WeakPolarHBondContact CG2-OD1 3.4Å; I360-D362 PolarHBondContact O-N 3.11Å; D362-T370 WeakPolarHBondContact O-CA 3.48Å; D362-N371 PolarHBondContact N-O 3.48Å; D362-N371 PolarHBondContact O-N 3.4Å
363R87.5Confident91.4Very high106 Ų10661.9 Ų61.940%0.434%0.336SS..EExtended strand (participates in β ladder)trans-84.7124.9173.8-177.2176.6178.4167.62110.4E320 T369E320-R363 IonicContact OE1-CZ 3.19Å; E320-R363 IonicContact OE1-NH2 2.69Å; E320-R363 PolarHBondContact OE1-NH2 3.49Å; E320-R363 IonicContact OE2-NH2 2.72Å; R363-T369 WeakPolarHBondContact CA-O 3.44Å
364N86.4Confident91.6Very high74 Ų7458.2 Ų58.240%0.39632%0.318SS..EExtended strand (participates in β ladder)trans-96.7107168.9-174.9-33.5000109.3A366 T367 K368 T369N364-A366 VanDerWaalsContact C-N 3.31Å; N364-A366 PolarHBondContact O-N 3.04Å; N364-A366 WeakPolarHBondContact OD1-CB 3.28Å; N364-A366 PolarHBondContact OD1-N 3.46Å; N364-A366 VanDerWaalsContact OD1-N 3.07Å; N364-T367 WeakPolarHBondContact CB-OG1 3.37Å; N364-T367 PolarHBondContact ND2-OG1 3.01Å; N364-T367 PolarHBondContact OD1-N 3.33Å; N364-T367 PolarHBondContact OD1-OG1 3.26Å; N364-K368 VanDerWaalsContact O-CA 3.29Å; N364-K368 WeakPolarHBondContact O-CA 3.42Å; N364-K368 PolarHBondContact O-N 3.18Å; N364-T369 PolarHBondContact N-O 3.47Å; N364-T369 PolarHBondContact O-N 3.23Å
365T83.6Confident91.7Very high114 Ų11465.2 Ų65.270%0.69934%0.344SS*.THydrogen-bonded Turntrans-67.8-28.4-177.350.60000113.6
366A85.4Confident91.7Very high93 Ų9366.9 Ų66.977%0.76935%0.35SS*.THydrogen-bonded Turntrans-72.9-38.6-18000000112.3N364N364-A366 VanDerWaalsContact C-N 3.31Å; N364-A366 PolarHBondContact O-N 3.04Å; N364-A366 WeakPolarHBondContact OD1-CB 3.28Å; N364-A366 PolarHBondContact OD1-N 3.46Å; N364-A366 VanDerWaalsContact OD1-N 3.07Å
367T83.8Confident91.8Very high83 Ų8362.6 Ų62.651%0.50933%0.327SS..THydrogen-bonded Turntrans-99.3-4.7-179.354.30000113.2N364 T369N364-T367 WeakPolarHBondContact CB-OG1 3.37Å; N364-T367 PolarHBondContact ND2-OG1 3.01Å; N364-T367 PolarHBondContact OD1-N 3.33Å; N364-T367 PolarHBondContact OD1-OG1 3.26Å; T367-T369 WeakPolarHBondContact O-CG2 3.11Å; T367-T369 PolarHBondContact O-N 3.07Å; T367-T369 PolarHBondContact OG1-OG1 2.85Å; T367-T369 VanDerWaalsContact OG1-OG1 3.07Å
368K86.4Confident91.9Very high124 Ų12459.6 Ų59.654%0.53931%0.314SS..THydrogen-bonded Turntrans53.529.2-172.9-57-173178-171.80113.9Q251 N364Q251-K368 PolarHBondContact NE2-O 3.23Å; N364-K368 VanDerWaalsContact O-CA 3.29Å; N364-K368 WeakPolarHBondContact O-CA 3.42Å; N364-K368 PolarHBondContact O-N 3.18Å
369T90.2Very high91.9Very high15 Ų1556 Ų569%0.09229%0.292CS..EExtended strand (participates in β ladder)trans-102.8158.1177.865.60000111.3R315 R363 N364 T367R315-T369 VanDerWaalsContact CZ-CG2 3.48Å; R363-T369 WeakPolarHBondContact CA-O 3.44Å; N364-T369 PolarHBondContact N-O 3.47Å; N364-T369 PolarHBondContact O-N 3.23Å; T367-T369 WeakPolarHBondContact O-CG2 3.11Å; T367-T369 PolarHBondContact O-N 3.07Å; T367-T369 PolarHBondContact OG1-OG1 2.85Å; T367-T369 VanDerWaalsContact OG1-OG1 3.07Å
370T92.3Very high91.8Very high8 Ų860.2 Ų60.25%0.04931%0.308CS..EExtended strand (participates in β ladder)trans-129.8104.6176-630000108.8Y316 G319 L361 D362Y316-T370 PolarHBondContact N-O 3.3Å; G319-T370 WeakPolarHBondContact CA-OG1 3.42Å; L361-T370 HydrophobicContact CD1-CG2 3.8Å; L361-T370 HydrophobicContact CD2-CG2 3.96Å; L361-T370 HydrophobicContact CG-CG2 3.53Å; D362-T370 WeakPolarHBondContact O-CA 3.48Å
371N93.9Very high91.6Very high18 Ų1863.2 Ų63.210%0.09632%0.319CS..EExtended strand (participates in β ladder)trans-131.1139.3-165.1-69.81000111.4E297 V313 V314 R315 D362E297-N371 PolarHBondContact OE2-ND2 3.47Å; V313-N371 HydrophobicContact CG1-CB 4.06Å; V314-N371 CarbonylContact O-C 3.53Å; V314-N371 VanDerWaalsContact O-CA 3.26Å; V314-N371 WeakPolarHBondContact O-CA 3.19Å; R315-N371 VanDerWaalsContact CB-OD1 3.26Å; R315-N371 WeakPolarHBondContact CB-OD1 3.46Å; R315-N371 WeakPolarHBondContact CD-OD1 3.41Å; R315-N371 WeakPolarHBondContact CG-OD1 3.24Å; D362-N371 PolarHBondContact N-O 3.48Å; D362-N371 PolarHBondContact O-N 3.4Å
372A95.2Very high91.6Very high0 Ų063.7 Ų63.70%032%0.321CS..EExtended strand (participates in β ladder)trans-99.7114.5165.600000109.4V314 M330 A359 I360 L361 F374V314-A372 PolarHBondContact N-O 3.31Å; V314-A372 PolarHBondContact O-N 3.11Å; M330-A372 HydrophobicContact CB-CB 4.27Å; M330-A372 HydrophobicContact CG-CB 3.88Å; M330-A372 HydrophobicContact SD-CB 3.3Å; M330-A372 WeakPolarHBondContact SD-CB 3.32Å; A359-A372 HydrophobicContact CB-CB 4.08Å; I360-A372 WeakPolarHBondContact O-CA 3.37Å; L361-A372 HydrophobicContact CD1-CB 4.16Å; A372-F374 HydrophobicContact CB-CD2 4.5Å; A372-F374 HydrophobicContact CB-CE2 3.96Å
373N96.9Very high91.5Very high61 Ų6166 Ų6633%0.32633%0.327SS..EExtended strand (participates in β ladder)trans-96.3100-178.3-68.2-76000110.2V313 R375V313-N373 WeakPolarHBondContact CG2-OD1 3.41Å; N373-R375 HydrophobicContact CB-CG 4.41Å; N373-R375 PolarHBondContact O-N 2.96Å
374F97.8Very high91.4Very high2 Ų264.1 Ų64.11%0.00932%0.32CS..EExtended strand (participates in β ladder)trans-82.4102173.7-67-97.3000109.3S311 A312 V314 M330 A332 H357 A359 A372 M377 F402S311-F374 CarbonylContact C-O 3.52Å; S311-F374 WeakPolarHBondContact CA-O 3.5Å; S311-F374 VanDerWaalsContact CB-O 3.25Å; S311-F374 WeakPolarHBondContact CB-O 3.06Å; A312-F374 PolarHBondContact N-O 3.37Å; A312-F374 PolarHBondContact O-N 2.9Å; V314-F374 HydrophobicContact CG2-CD2 4.24Å; V314-F374 HydrophobicContact CG2-CE2 3.92Å; M330-F374 HydrophobicContact CB-CE2 4.25Å; M330-F374 HydrophobicContact CB-CZ 3.66Å; A332-F374 HydrophobicContact CB-CD1 4.08Å; A332-F374 HydrophobicContact CB-CE1 3.75Å; A332-F374 HydrophobicContact CB-CZ 4.33Å; H357-F374 WeakPolarHBondContact O-CE1 3.47Å; A359-F374 HydrophobicContact CB-CD1 3.81Å; A359-F374 HydrophobicContact CB-CD2 3.9Å; A359-F374 HydrophobicContact CB-CE1 3.79Å; A359-F374 HydrophobicContact CB-CE2 3.88Å; A359-F374 HydrophobicContact CB-CG 3.86Å; A359-F374 HydrophobicContact CB-CZ 3.83Å; A372-F374 HydrophobicContact CB-CD2 4.5Å; A372-F374 HydrophobicContact CB-CE2 3.96Å; F374-M377 HydrophobicContact CB-CE 3.46Å; F374-M377 VanDerWaalsContact CB-CE 3.46Å; F374-M377 HydrophobicContact CB-CG 4.05Å; F374-M377 HydrophobicContact CB-SD 3.67Å; F374-M377 HydrophobicContact CD1-SD 3.82Å; F374-M377 HydrophobicContact CG-CE 4.2Å; F374-M377 HydrophobicContact CG-SD 4.04Å; F374-F402 HydrophobicContact CD1-CE1 4.46Å; F374-F402 HydrophobicContact CD2-CD1 4.01Å; F374-F402 AromaticContact CD2-CE1 3.79Å; F374-F402 HydrophobicContact CD2-CE1 3.79Å; F374-F402 HydrophobicContact CE1-CD1 4.29Å; F374-F402 HydrophobicContact CE1-CE1 4.47Å; F374-F402 AromaticContact CE2-CD1 3.53Å; F374-F402 HydrophobicContact CE2-CD1 3.53Å; F374-F402 AromaticContact CE2-CE1 3.82Å; F374-F402 HydrophobicContact CE2-CE1 3.82Å; F374-F402 HydrophobicContact CG-CE1 4.12Å; F374-F402 AromaticContact CZ-CD1 3.68Å; F374-F402 HydrophobicContact CZ-CD1 3.68Å; F374-F402 HydrophobicContact CZ-CE1 4.16Å
375R95.6Very high90.7Very high165 Ų16564 Ų6462%0.62333%0.329SS*.EExtended strand (participates in β ladder)trans-105.9140.9-177.6-60.7-179.4-175.81693.7110.7N373 M377N373-R375 HydrophobicContact CB-CG 4.41Å; N373-R375 PolarHBondContact O-N 2.96Å; R375-M377 PolarHBondContact O-N 2.94Å
376H95.4Very high90.1Very high104 Ų10466.2 Ų66.248%0.48134%0.337SS..EExtended strand (participates in β ladder)trans57.434.7174.1-47.1-59.9000113.6K309 F310 N356K309-H376 HydrophobicContact CD-CB 4.18Å; K309-H376 HydrophobicContact CG-CB 4.49Å; F310-H376 CarbonylContact O-C 3.52Å; F310-H376 WeakPolarHBondContact O-CA 3.41Å; F310-H376 PolarHBondContact O-N 2.66Å; N356-H376 PolarHBondContact ND2-O 2.95Å
377M97.7Very high89.2Confident0 Ų069 Ų690%033%0.327CS..EExtended strand (participates in β ladder)trans-62.6150.5168-73.7-168.1-68.400110.2K309 F310 A312 A332 I355 N356 F374 R375 L400 F402K309-M377 CarbonylContact C-O 3.57Å; K309-M377 VanDerWaalsContact CA-O 3.29Å; K309-M377 WeakPolarHBondContact CA-O 3.46Å; F310-M377 HydrophobicContact CD1-CB 4.35Å; F310-M377 VanDerWaalsContact CD1-O 3.26Å; F310-M377 WeakPolarHBondContact CD1-O 3.27Å; F310-M377 HydrophobicContact CD2-CB 4.15Å; F310-M377 HydrophobicContact CD2-CE 3.98Å; F310-M377 HydrophobicContact CE1-CB 3.96Å; F310-M377 HydrophobicContact CE2-CB 3.74Å; F310-M377 HydrophobicContact CE2-CE 3.48Å; F310-M377 VanDerWaalsContact CE2-CE 3.48Å; F310-M377 HydrophobicContact CE2-SD 4.26Å; F310-M377 HydrophobicContact CG-CB 4.44Å; F310-M377 HydrophobicContact CZ-CB 3.64Å; F310-M377 HydrophobicContact CZ-CE 4.32Å; F310-M377 PolarHBondContact N-O 3.04Å; F310-M377 PolarHBondContact O-N 2.82Å; A312-M377 HydrophobicContact CB-CE 3.83Å; A332-M377 HydrophobicContact CB-SD 4.06Å; I355-M377 WeakPolarHBondContact O-CA 3.47Å; N356-M377 VanDerWaalsContact O-CG 3.32Å; N356-M377 WeakPolarHBondContact O-CG 3.36Å; F374-M377 HydrophobicContact CB-CE 3.46Å; F374-M377 VanDerWaalsContact CB-CE 3.46Å; F374-M377 HydrophobicContact CB-CG 4.05Å; F374-M377 HydrophobicContact CB-SD 3.67Å; F374-M377 HydrophobicContact CD1-SD 3.82Å; F374-M377 HydrophobicContact CG-CE 4.2Å; F374-M377 HydrophobicContact CG-SD 4.04Å; R375-M377 PolarHBondContact O-N 2.94Å; M377-L400 HydrophobicContact CE-CD1 4.13Å; M377-F402 HydrophobicContact CE-CE1 4.49Å
378S97.1Very high87.9Confident10 Ų1073.6 Ų73.67%0.0734%0.34CS..EExtended strand (participates in β ladder)trans-151.2141.5173.8-164.50000112.1Q307 S308 L354 I355Q307-S378 VanDerWaalsContact CA-OG 3.27Å; Q307-S378 WeakPolarHBondContact CA-OG 3.31Å; Q307-S378 PolarHBondContact O-OG 3.2Å; S308-S378 PolarHBondContact N-OG 3.28Å; S308-S378 WeakPolarHBondContact O-CB 3.4Å; S308-S378 PolarHBondContact O-OG 3.35Å; L354-S378 WeakPolarHBondContact CA-O 3.22Å; I355-S378 PolarHBondContact N-O 2.84Å; I355-S378 PolarHBondContact O-N 2.92Å
379I96.3Very high86.9Confident0 Ų071.6 Ų71.60%036%0.355CS..EExtended strand (participates in β ladder)trans-87.1110.9173.8-58.6167.2000108.1I304 T306 Q307 F310 I334 L354 I382 V426I304-I379 HydrophobicContact CB-CD1 4.23Å; I304-I379 HydrophobicContact CD1-CD1 4.4Å; I304-I379 HydrophobicContact CG2-CD1 3.77Å; I304-I379 HydrophobicContact CG2-CG1 4.45Å; T306-I379 HydrophobicContact CG2-CG2 4.48Å; Q307-I379 PolarHBondContact N-O 2.94Å; F310-I379 HydrophobicContact CE1-CG1 4.1Å; F310-I379 HydrophobicContact CZ-CG1 4.4Å; I334-I379 HydrophobicContact CD1-CD1 3.73Å; I334-I379 HydrophobicContact CD1-CG1 4.34Å; L354-I379 HydrophobicContact CD2-CG1 3.61Å; I379-I382 HydrophobicContact CG2-CB 4.25Å; I379-V426 HydrophobicContact CD1-CB 4.47Å; I379-V426 HydrophobicContact CD1-CG1 3.96Å; I379-V426 HydrophobicContact CD1-CG2 3.62Å
380K92.5Very high85.6Confident97 Ų9775.2 Ų75.242%0.42239%0.386SS..EExtended strand (participates in β ladder)trans-82.4-43.3179.6-176.7172.4154.8-157.80112E353 I355E353-K380 HydrophobicContact CB-CB 4.37Å; E353-K380 HydrophobicContact CG-CB 4.37Å; E353-K380 PolarHBondContact O-N 3.14Å; E353-K380 WeakPolarHBondContact OE1-CD 3.39Å; E353-K380 WeakPolarHBondContact OE1-CE 3.48Å; E353-K380 IonicContact OE1-NZ 3.8Å; E353-K380 PolarHBondContact OE1-NZ 3.3Å; E353-K380 IonicContact OE2-NZ 2.93Å; I355-K380 HydrophobicContact CD1-CB 3.98Å; I355-K380 HydrophobicContact CD1-CD 4.06Å; I355-K380 HydrophobicContact CD1-CG 4.39Å; I355-K380 HydrophobicContact CG1-CB 4.13Å; I355-K380 HydrophobicContact CG1-CD 4.41Å
381K89.3Confident84.6Confident137 Ų13780.3 Ų80.360%0.59641%0.409SS*.EExtended strand (participates in β ladder)trans-143.6147.7178.4-69-178.6-179.3179.90109.8G352 E353G352-K381 CarbonylContact C-O 3.52Å; G352-K381 WeakPolarHBondContact CA-O 3.47Å; E353-K381 HydrophobicContact CB-CB 4.27Å; E353-K381 PolarHBondContact N-O 2.96Å
382I90.8Very high84.1Confident32 Ų3281.5 Ų81.516%0.16442%0.419CS..EExtended strand (participates in β ladder)trans-138.1129.2174.4-164.4164.2000109I334 V351 I379 R384 F398 V426I334-I382 HydrophobicContact CD1-CD1 3.67Å; V351-I382 CarbonylContact O-C 3.59Å; I379-I382 HydrophobicContact CG2-CB 4.25Å; I382-R384 HydrophobicContact CG2-CG 4.44Å; I382-F398 HydrophobicContact CD1-CD1 3.85Å; I382-F398 HydrophobicContact CD1-CD2 3.95Å; I382-F398 HydrophobicContact CD1-CE1 3.52Å; I382-F398 HydrophobicContact CD1-CE2 3.63Å; I382-F398 HydrophobicContact CD1-CG 4.05Å; I382-F398 HydrophobicContact CD1-CZ 3.38Å; I382-F398 HydrophobicContact CG1-CE1 3.92Å; I382-F398 HydrophobicContact CG1-CZ 3.92Å; I382-V426 HydrophobicContact CD1-CB 3.81Å; I382-V426 HydrophobicContact CD1-CG1 3.94Å; I382-V426 HydrophobicContact CD1-CG2 3.69Å; I382-V426 HydrophobicContact CG2-CG1 4.34Å
383K87.9Confident83.6Confident142 Ų14282 Ų8262%0.61742%0.422SS*.  trans-81.2138.1169.9-63.7177.7-177165.70107.3N350 V351N350-K383 PolarHBondContact O-NZ 3.04Å; V351-K383 HydrophobicContact CG1-CB 4.45Å; V351-K383 WeakPolarHBondContact CG1-O 3.14Å; V351-K383 WeakPolarHBondContact O-CB 3.49Å; V351-K383 PolarHBondContact O-N 3.33Å
384R83.7Confident83.4Confident68 Ų6879.3 Ų79.326%0.25741%0.408SS..  trans-120.9148.8179.3-62.9-169.1166.1164.6-6109.2I382 V393 E396 V426I382-R384 HydrophobicContact CG2-CG 4.44Å; R384-V393 VanDerWaalsContact NH2-CG1 3.32Å; R384-E396 WeakPolarHBondContact CA-OE1 3.41Å; R384-E396 WeakPolarHBondContact CD-OE2 3.19Å; R384-E396 WeakPolarHBondContact CG-OE2 3.3Å; R384-E396 IonicContact NE-OE2 2.67Å; R384-E396 PolarHBondContact NE-OE2 3.35Å; R384-V426 PolarHBondContact NH2-O 2.84Å
385A73.8Confident83.1Confident72 Ų7281 Ų8160%0.59542%0.416SS*.PPolyproline II helixtrans-64148.9173.100000110.6R387 E396A385-R387 PolarHBondContact O-N 3.2Å; A385-R387 VanDerWaalsContact O-N 3.17Å; A385-E396 PolarHBondContact N-OE1 3.33Å
386D68.9Low82.9Confident160 Ų16075 Ų7586%0.85640%0.395SS*.PPolyproline II helixtrans-63.2116.2169.2-72.9-34.2000108.5
387R66.8Low82.9Confident152 Ų15270.7 Ų70.757%0.57438%0.375SS*.PPolyproline II helixtrans-67.7135.1-174.5-57-173.5-158150.917.8110.3A385 E391A385-R387 PolarHBondContact O-N 3.2Å; A385-R387 VanDerWaalsContact O-N 3.17Å; R387-E391 WeakPolarHBondContact CD-O 3.36Å
388K58Low82.8Confident178 Ų17870.7 Ų70.777%0.77438%0.375SS*.  trans-106.6119.6168.7-66.1-176.2-178.8179.30108.8
389G65.3Low82.7Confident82 Ų8270.2 Ų70.285%0.84537%0.371SS*.THydrogen-bonded Turntrans73.1-132.8173.400000115
390A62.4Low82.7Confident91 Ų9170.2 Ų70.275%0.75237%0.371SS*.THydrogen-bonded Turntrans-92.916.4-168.600000114.9
391E71.4Confident82.9Confident115 Ų11565.6 Ų65.654%0.53735%0.352SS..  trans-71.9126.6-179.4-68.617616800112R387R387-E391 WeakPolarHBondContact CD-O 3.36Å
392S82.3Confident83.2Confident44 Ų4459.1 Ų59.131%0.30832%0.323SS..  trans-84.3151.1175.6-179.40000112.2T394 E395S392-T394 PolarHBondContact O-N 3.38Å; S392-T394 VanDerWaalsContact O-N 3.15Å; S392-T394 PolarHBondContact OG-N 3.43Å; S392-T394 PolarHBondContact OG-OG1 2.95Å; S392-E395 VanDerWaalsContact CB-OE1 3.24Å; S392-E395 WeakPolarHBondContact CB-OE1 3.41Å; S392-E395 PolarHBondContact N-OE1 2.84Å; S392-E395 WeakPolarHBondContact O-CB 3.45Å; S392-E395 PolarHBondContact O-N 3Å
393V86.2Confident83.4Confident11 Ų1159.3 Ų59.37%0.06733%0.325CS..G310 helixtrans-50.2-36.5165.6165.80000112.6R384 E395 E396R384-V393 VanDerWaalsContact NH2-CG1 3.32Å; V393-E395 PolarHBondContact O-N 3.44Å; V393-E396 PolarHBondContact O-N 3.32Å
394T91.6Very high83.6Confident4 Ų453 Ų533%0.02530%0.298CS..G310 helixtrans-76.5-3.6-174.456.10000112.8S392 Q432 N435 A436 T439S392-T394 PolarHBondContact O-N 3.38Å; S392-T394 VanDerWaalsContact O-N 3.15Å; S392-T394 PolarHBondContact OG-N 3.43Å; S392-T394 PolarHBondContact OG-OG1 2.95Å; T394-Q432 HydrophobicContact CG2-CB 3.75Å; T394-Q432 HydrophobicContact CG2-CG 4.34Å; T394-N435 HydrophobicContact CG2-CB 4.07Å; T394-A436 HydrophobicContact CG2-CB 4.46Å; T394-T439 WeakPolarHBondContact O-CB 3.46Å; T394-T439 PolarHBondContact O-OG1 3.33Å
395E92.4Very high83.9Confident38 Ų3854 Ų5418%0.17831%0.306CS..G310 helixtrans-99.1-14.5175.7-66.2172.7-109.800112.2S392 V393 K397 W512 K517S392-E395 VanDerWaalsContact CB-OE1 3.24Å; S392-E395 WeakPolarHBondContact CB-OE1 3.41Å; S392-E395 PolarHBondContact N-OE1 2.84Å; S392-E395 WeakPolarHBondContact O-CB 3.45Å; S392-E395 PolarHBondContact O-N 3Å; V393-E395 PolarHBondContact O-N 3.44Å; E395-K397 PolarHBondContact O-N 2.85Å; E395-W512 HydrophobicContact CG-CZ2 3.9Å; E395-W512 PolarHBondContact OE2-NE1 3.37Å; E395-K517 VanDerWaalsContact CD-NZ 3.35Å; E395-K517 WeakPolarHBondContact OE1-CE 3.15Å; E395-K517 IonicContact OE1-NZ 3.16Å; E395-K517 PolarHBondContact OE1-NZ 3.09Å; E395-K517 WeakPolarHBondContact OE2-CE 3.36Å; E395-K517 IonicContact OE2-NZ 3.35Å; E395-K517 PolarHBondContact OE2-NZ 3.41Å
396E92.1Very high84.5Confident38 Ų3850.9 Ų50.918%0.17828%0.279CS..  trans-74.5112.8-179.8-166.4-179.4-161.100110.4R384 A385 V393 F398R384-E396 WeakPolarHBondContact CA-OE1 3.41Å; R384-E396 WeakPolarHBondContact CD-OE2 3.19Å; R384-E396 WeakPolarHBondContact CG-OE2 3.3Å; R384-E396 IonicContact NE-OE2 2.67Å; R384-E396 PolarHBondContact NE-OE2 3.35Å; A385-E396 PolarHBondContact N-OE1 3.33Å; V393-E396 PolarHBondContact O-N 3.32Å; E396-F398 HydrophobicContact CB-CE2 4.08Å; E396-F398 HydrophobicContact CB-CZ 4.5Å; E396-F398 HydrophobicContact CG-CE1 4.49Å; E396-F398 HydrophobicContact CG-CE2 3.63Å; E396-F398 HydrophobicContact CG-CZ 3.6Å
397K94.2Very high85.2Confident13 Ų1348.1 Ų48.16%0.05726%0.26CS..EExtended strand (participates in β ladder)trans-94.2140.8-179.1-65173.2-69.7-170.10111.8E337 E395 P423 V425 T439 D443 F454E337-K397 HydrophobicContact CG-CB 4.08Å; E337-K397 WeakPolarHBondContact CG-O 3.47Å; E337-K397 WeakPolarHBondContact OE1-CB 3.33Å; E337-K397 WeakPolarHBondContact OE1-CE 3.25Å; E395-K397 PolarHBondContact O-N 2.85Å; K397-P423 HydrophobicContact CD-CB 4.41Å; K397-V425 HydrophobicContact CG-CG2 4.47Å; K397-T439 HydrophobicContact CD-CG2 4.13Å; K397-T439 HydrophobicContact CG-CG2 4.02Å; K397-D443 HydrophobicContact CD-CB 4.4Å; K397-D443 WeakPolarHBondContact CD-OD2 3.28Å; K397-D443 IonicContact NZ-OD2 2.97Å; K397-D443 PolarHBondContact NZ-OD2 3.18Å; K397-F454 HydrophobicContact CD-CB 4.25Å; K397-F454 PolarHBondContact NZ-O 3.02Å
398F95.1Very high85.9Confident0 Ų041.7 Ų41.70%024%0.237CC..EExtended strand (participates in β ladder)trans-127.7171.5175.4-60.2-88.1000109.8I334 I335 N336 V351 I382 E396 P423 V424 V426I334-F398 HydrophobicContact CD1-CB 4.07Å; I334-F398 HydrophobicContact CD1-CD1 4.32Å; I334-F398 HydrophobicContact CD1-CG 4.22Å; I334-F398 HydrophobicContact CG1-CB 4.03Å; I334-F398 HydrophobicContact CG1-CD1 4.24Å; I334-F398 HydrophobicContact CG1-CG 4.39Å; I335-F398 CarbonylContact O-C 3.45Å; I335-F398 WeakPolarHBondContact O-CA 3.28Å; I335-F398 WeakPolarHBondContact O-CB 3.37Å; N336-F398 HydrophobicContact CB-CD1 4.09Å; N336-F398 HydrophobicContact CB-CE1 4.09Å; V351-F398 HydrophobicContact CG1-CD1 4.31Å; V351-F398 HydrophobicContact CG1-CE1 3.76Å; I382-F398 HydrophobicContact CD1-CD1 3.85Å; I382-F398 HydrophobicContact CD1-CD2 3.95Å; I382-F398 HydrophobicContact CD1-CE1 3.52Å; I382-F398 HydrophobicContact CD1-CE2 3.63Å; I382-F398 HydrophobicContact CD1-CG 4.05Å; I382-F398 HydrophobicContact CD1-CZ 3.38Å; I382-F398 HydrophobicContact CG1-CE1 3.92Å; I382-F398 HydrophobicContact CG1-CZ 3.92Å; E396-F398 HydrophobicContact CB-CE2 4.08Å; E396-F398 HydrophobicContact CB-CZ 4.5Å; E396-F398 HydrophobicContact CG-CE1 4.49Å; E396-F398 HydrophobicContact CG-CE2 3.63Å; E396-F398 HydrophobicContact CG-CZ 3.6Å; F398-P423 CarbonylContact O-C 3.59Å; F398-P423 WeakPolarHBondContact O-CA 3.26Å; F398-V424 HydrophobicContact CB-CG2 3.92Å; F398-V424 PolarHBondContact N-O 3.25Å; F398-V424 PolarHBondContact O-N 3.4Å; F398-V426 HydrophobicContact CD2-CB 4.27Å; F398-V426 HydrophobicContact CD2-CG2 3.84Å; F398-V426 HydrophobicContact CE2-CB 4.36Å; F398-V426 HydrophobicContact CE2-CG2 4.37Å; F398-V426 HydrophobicContact CG-CG2 4.35Å
399A95.8Very high86.7Confident0 Ų039.5 Ų39.50%024%0.238CC..EExtended strand (participates in β ladder)trans-142.6161.9162.900000110.8I334 I335 N420 F454I334-A399 WeakPolarHBondContact CA-O 3.35Å; I335-A399 HydrophobicContact CD1-CB 4.49Å; I335-A399 HydrophobicContact CG1-CB 4.15Å; I335-A399 WeakPolarHBondContact CG1-O 3.4Å; I335-A399 PolarHBondContact N-O 3.2Å; I335-A399 PolarHBondContact O-N 3.03Å; A399-N420 HydrophobicContact CB-CB 4.47Å; A399-F454 HydrophobicContact CB-CE1 4.38Å; A399-F454 HydrophobicContact CB-CE2 4.4Å; A399-F454 HydrophobicContact CB-CZ 3.57Å
400L96.3Very high87.1Confident0 Ų038.5 Ų38.50%023%0.228CC..EExtended strand (participates in β ladder)trans-91.5118.8166-59.4177.2000108.5P300 F310 Q333 I334 L354 M377 F402 N420 S421P300-L400 HydrophobicContact CB-CD1 3.77Å; P300-L400 HydrophobicContact CG-CD1 3.8Å; P300-L400 HydrophobicContact CG-CG 4.44Å; F310-L400 HydrophobicContact CE2-CD1 3.59Å; F310-L400 HydrophobicContact CZ-CD1 4.2Å; Q333-L400 CarbonylContact O-C 3.4Å; Q333-L400 WeakPolarHBondContact O-CA 3.3Å; I334-L400 HydrophobicContact CB-CD2 4.21Å; L354-L400 HydrophobicContact CD1-CD2 3.84Å; L354-L400 HydrophobicContact CD2-CD2 4.36Å; M377-L400 HydrophobicContact CE-CD1 4.13Å; L400-F402 HydrophobicContact CB-CE2 3.87Å; L400-F402 HydrophobicContact CB-CZ 3.85Å; L400-F402 HydrophobicContact CD1-CZ 4.08Å; L400-N420 CarbonylContact O-C 3.59Å; L400-N420 WeakPolarHBondContact O-CA 3.26Å; L400-S421 PolarHBondContact N-OG 3.18Å; L400-S421 PolarHBondContact O-N 3.18Å
401M95.9Very high87.8Confident1 Ų135.8 Ų35.81%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-92.2119.8168.8-171.5169.584.200108.9A332 Q333 I335 A346 L347 L403 H418 I419 N420A332-M401 CarbonylContact C-O 3.56Å; A332-M401 WeakPolarHBondContact CA-O 3.11Å; Q333-M401 HydrophobicContact CG-CB 3.92Å; Q333-M401 HydrophobicContact CG-CE 4.11Å; Q333-M401 PolarHBondContact N-O 2.88Å; Q333-M401 PolarHBondContact O-N 3.08Å; I335-M401 HydrophobicContact CD1-CB 4.05Å; I335-M401 HydrophobicContact CD1-SD 4.49Å; I335-M401 HydrophobicContact CG1-CB 4.34Å; I335-M401 HydrophobicContact CG2-CB 4.16Å; A346-M401 HydrophobicContact CB-CE 3.78Å; A346-M401 HydrophobicContact CB-SD 3.97Å; L347-M401 HydrophobicContact CD2-CE 4.09Å; M401-L403 HydrophobicContact CE-CD1 3.73Å; M401-L403 HydrophobicContact CE-CD2 3.7Å; M401-L403 HydrophobicContact CE-CG 3.94Å; M401-L403 HydrophobicContact CG-CD2 4.44Å; M401-L403 HydrophobicContact CG-CG 4.34Å; M401-H418 HydrophobicContact CG-CB 4.29Å; M401-I419 WeakPolarHBondContact CA-O 3.18Å; M401-N420 WeakPolarHBondContact CB-OD1 3.39Å; M401-N420 VanDerWaalsContact CG-OD1 3.28Å; M401-N420 WeakPolarHBondContact CG-OD1 3.12Å
402F96.5Very high88.1Confident0 Ų039.8 Ų39.80%022%0.219CC..EExtended strand (participates in β ladder)trans-97132.5174.7-57.9-83.9000109.2F294 V296 A312 V314 M330 K331 A332 F374 M377 L400 H418 I419F294-F402 HydrophobicContact CZ-CB 4.29Å; V296-F402 HydrophobicContact CG1-CE2 4.37Å; V296-F402 HydrophobicContact CG2-CD2 3.87Å; V296-F402 HydrophobicContact CG2-CE2 3.9Å; A312-F402 HydrophobicContact CB-CE1 4.36Å; A312-F402 HydrophobicContact CB-CZ 3.78Å; V314-F402 HydrophobicContact CG2-CB 4.06Å; V314-F402 HydrophobicContact CG2-CD1 3.61Å; V314-F402 HydrophobicContact CG2-CD2 3.8Å; V314-F402 HydrophobicContact CG2-CE1 3.92Å; V314-F402 HydrophobicContact CG2-CE2 4.09Å; V314-F402 HydrophobicContact CG2-CG 3.54Å; V314-F402 HydrophobicContact CG2-CZ 4.15Å; M330-F402 HydrophobicContact CE-CB 4.41Å; K331-F402 CarbonylContact O-C 3.46Å; K331-F402 WeakPolarHBondContact O-CA 3.45Å; A332-F402 HydrophobicContact CB-CD1 3.72Å; A332-F402 HydrophobicContact CB-CE1 3.74Å; F374-F402 HydrophobicContact CD1-CE1 4.46Å; F374-F402 HydrophobicContact CD2-CD1 4.01Å; F374-F402 AromaticContact CD2-CE1 3.79Å; F374-F402 HydrophobicContact CD2-CE1 3.79Å; F374-F402 HydrophobicContact CE1-CD1 4.29Å; F374-F402 HydrophobicContact CE1-CE1 4.47Å; F374-F402 AromaticContact CE2-CD1 3.53Å; F374-F402 HydrophobicContact CE2-CD1 3.53Å; F374-F402 AromaticContact CE2-CE1 3.82Å; F374-F402 HydrophobicContact CE2-CE1 3.82Å; F374-F402 HydrophobicContact CG-CE1 4.12Å; F374-F402 AromaticContact CZ-CD1 3.68Å; F374-F402 HydrophobicContact CZ-CD1 3.68Å; F374-F402 HydrophobicContact CZ-CE1 4.16Å; M377-F402 HydrophobicContact CE-CE1 4.49Å; L400-F402 HydrophobicContact CB-CE2 3.87Å; L400-F402 HydrophobicContact CB-CZ 3.85Å; L400-F402 HydrophobicContact CD1-CZ 4.08Å; F402-H418 CarbonylContact O-C 3.58Å; F402-H418 WeakPolarHBondContact O-CA 3.32Å; F402-I419 HydrophobicContact CB-CG2 4.22Å; F402-I419 HydrophobicContact CD2-CG2 4.31Å; F402-I419 PolarHBondContact N-O 3.29Å; F402-I419 PolarHBondContact O-N 2.94Å
403L94.4Very high88.1Confident37 Ų3742.5 Ų42.519%0.19423%0.233CC..EExtended strand (participates in β ladder)trans-127.4140.2-171.5-68.4158.7000110.2M330 K331 Q333 L347 M401 I417 H418M330-L403 WeakPolarHBondContact CA-O 3.47Å; K331-L403 PolarHBondContact N-O 2.98Å; K331-L403 PolarHBondContact O-N 3.36Å; Q333-L403 HydrophobicContact CG-CD1 4.1Å; L347-L403 HydrophobicContact CD2-CD1 4.38Å; L347-L403 HydrophobicContact CD2-CD2 4.25Å; M401-L403 HydrophobicContact CE-CD1 3.73Å; M401-L403 HydrophobicContact CE-CD2 3.7Å; M401-L403 HydrophobicContact CE-CG 3.94Å; M401-L403 HydrophobicContact CG-CD2 4.44Å; M401-L403 HydrophobicContact CG-CG 4.34Å; L403-I417 WeakPolarHBondContact CA-O 3.47Å; L403-H418 HydrophobicContact CD2-CB 3.56Å; L403-H418 HydrophobicContact CG-CB 4.49Å
404A91.9Very high88.2Confident8 Ų843.8 Ų43.87%0.06624%0.242CC..EExtended strand (participates in β ladder)trans-149.1158.5170.300000111.7V328 M330 I406 I417V328-A404 HydrophobicContact CG1-CB 4.07Å; M330-A404 HydrophobicContact CE-CB 3.76Å; M330-A404 HydrophobicContact CG-CB 4.12Å; A404-I406 HydrophobicContact CB-CD1 4.37Å; A404-I417 HydrophobicContact CB-CD1 4.18Å; A404-I417 HydrophobicContact CB-CG1 3.88Å; A404-I417 PolarHBondContact N-O 3.42Å; A404-I417 PolarHBondContact O-N 3.47Å
405E90.4Very high88Confident91 Ų9144.7 Ų44.743%0.42525%0.246SC..EExtended strand (participates in β ladder)trans-114.1120169.6-60.7-167.7158.500108.3P414 F415 K416E405-P414 HydrophobicContact CB-CB 4.23Å; E405-F415 WeakPolarHBondContact CA-O 3.32Å; E405-K416 HydrophobicContact CG-CG 4.22Å; E405-K416 VanDerWaalsContact OE1-CE 3.23Å; E405-K416 WeakPolarHBondContact OE1-CE 3.41Å; E405-K416 IonicContact OE1-NZ 3.4Å
406I86.5Confident87.9Confident5 Ų550.3 Ų50.33%0.02627%0.27CS..EExtended strand (participates in β ladder)trans-106124.2-177.4-53.9-59.3000109.4L322 V328 A404 I408 P414 F415 I417L322-I406 HydrophobicContact CD1-CG2 4.49Å; V328-I406 HydrophobicContact CB-CD1 4.44Å; V328-I406 HydrophobicContact CG1-CD1 3.67Å; V328-I406 HydrophobicContact CG2-CD1 4.09Å; A404-I406 HydrophobicContact CB-CD1 4.37Å; I406-I408 HydrophobicContact CG2-CG1 4.15Å; I406-P414 WeakPolarHBondContact O-CA 3.43Å; I406-F415 PolarHBondContact N-O 2.87Å; I406-F415 PolarHBondContact O-N 2.95Å; I406-I417 HydrophobicContact CD1-CD1 3.97Å; I406-I417 HydrophobicContact CG1-CD1 3.55Å; I406-I417 HydrophobicContact CG1-CG1 4.04Å
407F84.1Confident87.9Confident102 Ų10248.8 Ų48.845%0.44726%0.263SS..  trans-96.4127.7175.5-66.2-91.3000110P414F407-P414 HydrophobicContact CD1-CB 3.87Å; F407-P414 HydrophobicContact CD2-CB 4.42Å; F407-P414 HydrophobicContact CE1-CB 3.61Å; F407-P414 HydrophobicContact CE1-CG 3.83Å; F407-P414 HydrophobicContact CE2-CB 4.18Å; F407-P414 HydrophobicContact CG-CB 4.28Å; F407-P414 HydrophobicContact CZ-CB 3.77Å; F407-P414 HydrophobicContact CZ-CG 4Å
408I80.8Confident87.9Confident18 Ų1850.5 Ų50.59%0.09227%0.271CS..  trans-120.8129.2179.6-53.1-169.8000109F258 I290 L322 I406 G410 H411 F415F258-I408 HydrophobicContact CE2-CD1 4.49Å; I290-I408 HydrophobicContact CD1-CD1 3.19Å; I290-I408 HydrophobicContact CG1-CD1 4.06Å; L322-I408 HydrophobicContact CD2-CB 4.31Å; L322-I408 HydrophobicContact CD2-CD1 3.49Å; L322-I408 VanDerWaalsContact CD2-CD1 3.49Å; L322-I408 HydrophobicContact CD2-CG1 3.51Å; L322-I408 HydrophobicContact CD2-CG2 4.09Å; I406-I408 HydrophobicContact CG2-CG1 4.15Å; I408-G410 PolarHBondContact O-N 3.39Å; I408-H411 PolarHBondContact O-N 3.32Å; I408-H411 VanDerWaalsContact O-N 3.11Å; I408-F415 HydrophobicContact CB-CE2 4.24Å; I408-F415 HydrophobicContact CD1-CD2 3.74Å; I408-F415 HydrophobicContact CD1-CE2 3.74Å; I408-F415 HydrophobicContact CG1-CD2 3.91Å; I408-F415 HydrophobicContact CG1-CE2 4.04Å
409T75.8Confident87.9Confident131 Ų13151.6 Ų51.680%0.80428%0.276SS*.THydrogen-bonded Turntrans-55.6130.7176.4-51.80000110.7
410G73.2Confident87.8Confident62 Ų6253.7 Ų53.764%0.63929%0.288SS*.THydrogen-bonded Turntrans885.9-177.900000114.9R265 I408R265-G410 PolarHBondContact NH2-O 2.6Å; I408-G410 PolarHBondContact O-N 3.39Å
411H76.6Confident87.8Confident34 Ų3454 Ų5416%0.15729%0.29CS..  trans-120.7136.1167.5-70.1-97.6000110R265 L286 I408 F415R265-H411 VanDerWaalsContact CZ-NE2 3.3Å; R265-H411 PolarHBondContact NE-NE2 3.31Å; R265-H411 PolarHBondContact NH1-CE1 3.27Å; R265-H411 PolarHBondContact NH2-CE1 2.87Å; R265-H411 VanDerWaalsContact NH2-CE1 3.3Å; L286-H411 WeakPolarHBondContact CD2-NE2 3.37Å; I408-H411 PolarHBondContact O-N 3.32Å; I408-H411 VanDerWaalsContact O-N 3.11Å; H411-F415 HydrophobicContact CB-CE2 4.12Å; H411-F415 AromaticContact CE1-CZ 3.96Å; H411-F415 AromaticContact CG-CE2 3.87Å; H411-F415 AromaticContact ND1-CE2 4Å; H411-F415 AromaticContact ND1-CZ 3.72Å
412E77.1Confident87.8Confident198 Ų19854.7 Ų54.793%0.92529%0.293SS*.SBendtrans-79.9-28.2-178.3-64.6-176.2169.700112.9
413T83.6Confident87.7Confident101 Ų10154.9 Ų54.962%0.6229%0.294SS*.SBendtrans-109140-177.252.10000111.1
414P87Confident87.9Confident39 Ų3953.2 Ų53.225%0.25329%0.285SS..PPolyproline II helixtrans-70.1143.4173.826.8-31.4000111.2E405 I406 F407 K416E405-P414 HydrophobicContact CB-CB 4.23Å; I406-P414 WeakPolarHBondContact O-CA 3.43Å; F407-P414 HydrophobicContact CD1-CB 3.87Å; F407-P414 HydrophobicContact CD2-CB 4.42Å; F407-P414 HydrophobicContact CE1-CB 3.61Å; F407-P414 HydrophobicContact CE1-CG 3.83Å; F407-P414 HydrophobicContact CE2-CB 4.18Å; F407-P414 HydrophobicContact CG-CB 4.28Å; F407-P414 HydrophobicContact CZ-CB 3.77Å; F407-P414 HydrophobicContact CZ-CG 4Å; P414-K416 PolarHBondContact O-N 2.88Å
415F88.3Confident88.1Confident22 Ų2252.8 Ų52.810%0.09628%0.282CS..EExtended strand (participates in β ladder)trans-79.3117.5171.1-67.5-90.7000109.2L286 Q287 I290 E405 I406 I408 H411L286-F415 HydrophobicContact CD2-CZ 4.34Å; Q287-F415 HydrophobicContact CB-CD1 4.21Å; Q287-F415 HydrophobicContact CB-CE1 3.93Å; Q287-F415 HydrophobicContact CG-CD1 4.16Å; Q287-F415 HydrophobicContact CG-CE1 4.31Å; I290-F415 HydrophobicContact CD1-CB 4.45Å; I290-F415 HydrophobicContact CD1-CD1 3.94Å; I290-F415 HydrophobicContact CD1-CD2 3.93Å; I290-F415 HydrophobicContact CD1-CE1 4.12Å; I290-F415 HydrophobicContact CD1-CE2 4.1Å; I290-F415 HydrophobicContact CD1-CG 3.84Å; I290-F415 HydrophobicContact CD1-CZ 4.18Å; I290-F415 HydrophobicContact CG2-CB 4.25Å; E405-F415 WeakPolarHBondContact CA-O 3.32Å; I406-F415 PolarHBondContact N-O 2.87Å; I406-F415 PolarHBondContact O-N 2.95Å; I408-F415 HydrophobicContact CB-CE2 4.24Å; I408-F415 HydrophobicContact CD1-CD2 3.74Å; I408-F415 HydrophobicContact CD1-CE2 3.74Å; I408-F415 HydrophobicContact CG1-CD2 3.91Å; I408-F415 HydrophobicContact CG1-CE2 4.04Å; H411-F415 HydrophobicContact CB-CE2 4.12Å; H411-F415 AromaticContact CE1-CZ 3.96Å; H411-F415 AromaticContact CG-CE2 3.87Å; H411-F415 AromaticContact ND1-CE2 4Å; H411-F415 AromaticContact ND1-CZ 3.72Å
416K90.3Very high88.4Confident157 Ų15748.5 Ų48.568%0.68326%0.262SS*.EExtended strand (participates in β ladder)trans-84.7116.7173.6-61.1-173.1178.1-173.40108.8E405 P414E405-K416 HydrophobicContact CG-CG 4.22Å; E405-K416 VanDerWaalsContact OE1-CE 3.23Å; E405-K416 WeakPolarHBondContact OE1-CE 3.41Å; E405-K416 IonicContact OE1-NZ 3.4Å; P414-K416 PolarHBondContact O-N 2.88Å
417I91.6Very high88.8Confident5 Ų548.4 Ų48.43%0.02626%0.262CS..EExtended strand (participates in β ladder)trans-115150.4178.658.7174.2000111I290 F294 Y316 L403 A404 I406I290-I417 HydrophobicContact CG2-CG2 3.45Å; I290-I417 VanDerWaalsContact CG2-CG2 3.45Å; F294-I417 HydrophobicContact CB-CD1 4.23Å; F294-I417 HydrophobicContact CD1-CB 4.26Å; F294-I417 HydrophobicContact CD1-CD1 4.01Å; F294-I417 HydrophobicContact CD1-CG1 4.26Å; F294-I417 HydrophobicContact CD2-CD1 3.8Å; F294-I417 HydrophobicContact CE1-CD1 4.33Å; F294-I417 HydrophobicContact CE1-CG1 4.38Å; F294-I417 HydrophobicContact CE2-CD1 4.16Å; F294-I417 HydrophobicContact CG-CD1 3.75Å; F294-I417 HydrophobicContact CG-CG1 4.49Å; F294-I417 HydrophobicContact CZ-CD1 4.45Å; Y316-I417 HydrophobicContact CE2-CD1 4.49Å; L403-I417 WeakPolarHBondContact CA-O 3.47Å; A404-I417 HydrophobicContact CB-CD1 4.18Å; A404-I417 HydrophobicContact CB-CG1 3.88Å; A404-I417 PolarHBondContact N-O 3.42Å; A404-I417 PolarHBondContact O-N 3.47Å; I406-I417 HydrophobicContact CD1-CD1 3.97Å; I406-I417 HydrophobicContact CG1-CD1 3.55Å; I406-I417 HydrophobicContact CG1-CG1 4.04Å
418H93.9Very high89.2Confident49 Ų4947.1 Ų47.123%0.22726%0.262CS..EExtended strand (participates in β ladder)trans-147.3154.5175.668.4-70.7000112.1Q291 V343 M401 F402 L403Q291-H418 PolarHBondContact NE2-O 2.72Å; V343-H418 WeakPolarHBondContact CG2-NE2 3.32Å; M401-H418 HydrophobicContact CG-CB 4.29Å; F402-H418 CarbonylContact O-C 3.58Å; F402-H418 WeakPolarHBondContact O-CA 3.32Å; L403-H418 HydrophobicContact CD2-CB 3.56Å; L403-H418 HydrophobicContact CG-CB 4.49Å
419I95.1Very high89.7Confident23 Ų2351.6 Ų51.612%0.11828%0.282CS..EExtended strand (participates in β ladder)trans-147.8143.2167.3-169.4168.2000110.3F294 V296 V314 M401 F402F294-I419 HydrophobicContact CD1-CB 3.84Å; F294-I419 HydrophobicContact CD1-CG2 3.75Å; F294-I419 HydrophobicContact CE1-CB 3.84Å; F294-I419 HydrophobicContact CE1-CG2 3.37Å; F294-I419 HydrophobicContact CZ-CG2 3.9Å; F294-I419 WeakPolarHBondContact O-CD1 3.27Å; V296-I419 HydrophobicContact CG2-CD1 4.29Å; V296-I419 HydrophobicContact CG2-CG1 4.31Å; V296-I419 HydrophobicContact CG2-CG2 3.7Å; V314-I419 HydrophobicContact CG1-CG2 4.46Å; M401-I419 WeakPolarHBondContact CA-O 3.18Å; F402-I419 HydrophobicContact CB-CG2 4.22Å; F402-I419 HydrophobicContact CD2-CG2 4.31Å; F402-I419 PolarHBondContact N-O 3.29Å; F402-I419 PolarHBondContact O-N 2.94Å
420N94.8Very high90.4Very high45 Ų4547.4 Ų47.424%0.24127%0.265CS..EExtended strand (participates in β ladder)trans-91.2141.1174.1-63.7-27.2000110.6I335 A399 L400 M401I335-N420 WeakPolarHBondContact CD1-OD1 3.36Å; A399-N420 HydrophobicContact CB-CB 4.47Å; L400-N420 CarbonylContact O-C 3.59Å; L400-N420 WeakPolarHBondContact O-CA 3.26Å; M401-N420 WeakPolarHBondContact CB-OD1 3.39Å; M401-N420 VanDerWaalsContact CG-OD1 3.28Å; M401-N420 WeakPolarHBondContact CG-OD1 3.12Å
421S96.8Very high91.3Very high6 Ų648.8 Ų48.84%0.04227%0.265CS..PPolyproline II helixtrans-64167.8162.972.60000110.7L400L400-S421 PolarHBondContact N-OG 3.18Å; L400-S421 PolarHBondContact O-N 3.18Å
422Q95.3Very high92.1Very high16 Ų1648.9 Ų48.98%0.07527%0.265CS..SBendtrans-57.2159.2160.8-73.8174.218.900111.1Q234 Q299 V424Q234-Q422 VanDerWaalsContact C-NE2 3.3Å; Q234-Q422 PolarHBondContact O-NE2 3.4Å; Q299-Q422 HydrophobicContact CG-CG 4.2Å; Q422-V424 PolarHBondContact O-N 2.63Å
423P95.3Very high93Very high4 Ų442.9 Ų42.93%0.02624%0.24CC..PPolyproline II helixtrans-55.7138.8178.120.8-32.1000111.2K397 F398 I440 D443 F454K397-P423 HydrophobicContact CD-CB 4.41Å; F398-P423 CarbonylContact O-C 3.59Å; F398-P423 WeakPolarHBondContact O-CA 3.26Å; P423-I440 HydrophobicContact CB-CD1 4.42Å; P423-I440 WeakPolarHBondContact O-CD1 3.36Å; P423-D443 WeakPolarHBondContact CG-OD1 3.38Å; P423-F454 HydrophobicContact CB-CD1 3.68Å; P423-F454 HydrophobicContact CB-CE1 3.76Å; P423-F454 HydrophobicContact CG-CD1 4.17Å; P423-F454 HydrophobicContact CG-CE1 4.32Å
424V96.8Very high93.5Very high1 Ų140.8 Ų40.81%0.00622%0.224CC..EExtended strand (participates in β ladder)trans-125.7144.8173.1-51.80000110P300 Q302 I304 F398 Q422P300-V424 HydrophobicContact CG-CG1 3.88Å; Q302-V424 CarbonylContact O-C 3.49Å; Q302-V424 WeakPolarHBondContact O-CA 3.42Å; I304-V424 HydrophobicContact CD1-CB 4.26Å; I304-V424 HydrophobicContact CD1-CG1 4.29Å; I304-V424 HydrophobicContact CD1-CG2 4.23Å; F398-V424 HydrophobicContact CB-CG2 3.92Å; F398-V424 PolarHBondContact N-O 3.25Å; F398-V424 PolarHBondContact O-N 3.4Å; Q422-V424 PolarHBondContact O-N 2.63Å
425V96.9Very high94Very high0 Ų040.7 Ų40.70%022%0.222CC..EExtended strand (participates in β ladder)trans-106.7129.3170.8176.30000108.6Q302 V303 I304 K397 I427 A436 T439 I440Q302-V425 PolarHBondContact O-N 3.41Å; V303-V425 WeakPolarHBondContact CA-O 3.07Å; I304-V425 PolarHBondContact N-O 3.03Å; K397-V425 HydrophobicContact CG-CG2 4.47Å; V425-I427 HydrophobicContact CG1-CG2 4.27Å; V425-A436 HydrophobicContact CB-CB 3.97Å; V425-A436 HydrophobicContact CG1-CB 3.54Å; V425-T439 HydrophobicContact CG2-CG2 4.03Å; V425-I440 HydrophobicContact CG2-CD1 3.86Å; V425-I440 HydrophobicContact CG2-CG1 4.11Å
426V95.9Very high94.4Very high0 Ų039.7 Ų39.70%022%0.217CC..EExtended strand (participates in β ladder)trans-99.5119.7-178.3-177.80000110.1I304 T306 I334 I379 I382 R384 F398I304-V426 CarbonylContact O-C 3.53Å; I304-V426 VanDerWaalsContact O-CA 3.31Å; I304-V426 WeakPolarHBondContact O-CA 3.44Å; T306-V426 HydrophobicContact CG2-CG1 3.72Å; I334-V426 HydrophobicContact CD1-CG2 4Å; I379-V426 HydrophobicContact CD1-CB 4.47Å; I379-V426 HydrophobicContact CD1-CG1 3.96Å; I379-V426 HydrophobicContact CD1-CG2 3.62Å; I382-V426 HydrophobicContact CD1-CB 3.81Å; I382-V426 HydrophobicContact CD1-CG1 3.94Å; I382-V426 HydrophobicContact CD1-CG2 3.69Å; I382-V426 HydrophobicContact CG2-CG1 4.34Å; R384-V426 PolarHBondContact NH2-O 2.84Å; F398-V426 HydrophobicContact CD2-CB 4.27Å; F398-V426 HydrophobicContact CD2-CG2 3.84Å; F398-V426 HydrophobicContact CE2-CB 4.36Å; F398-V426 HydrophobicContact CE2-CG2 4.37Å; F398-V426 HydrophobicContact CG-CG2 4.35Å
427I95.4Very high94.7Very high4 Ų434 Ų342%0.02120%0.195CC..EExtended strand (participates in β ladder)trans-111.6157.8-178.963.8173.1000111.7V303 I304 K305 T306 V425 Q432 D433 A436V303-I427 HydrophobicContact CG1-CD1 3.63Å; V303-I427 HydrophobicContact CG1-CG1 3.97Å; V303-I427 HydrophobicContact CG1-CG2 4.03Å; I304-I427 PolarHBondContact O-N 2.94Å; K305-I427 CarbonylContact C-O 3.49Å; K305-I427 VanDerWaalsContact CA-O 3.29Å; K305-I427 WeakPolarHBondContact CA-O 3.47Å; K305-I427 HydrophobicContact CB-CD1 4.35Å; K305-I427 HydrophobicContact CB-CG1 3.92Å; K305-I427 HydrophobicContact CG-CG1 4.38Å; T306-I427 PolarHBondContact N-O 3.32Å; V425-I427 HydrophobicContact CG1-CG2 4.27Å; I427-Q432 HydrophobicContact CB-CB 4.04Å; I427-Q432 HydrophobicContact CG2-CB 3.77Å; I427-D433 HydrophobicContact CD1-CB 4.34Å; I427-A436 HydrophobicContact CG2-CB 3.8Å
428V92.3Very high95Very high75 Ų7533.7 Ų33.746%0.45519%0.194SC..SBendtrans-105.9-26.9174.2-65.30000111.9K305 T306K305-V428 VanDerWaalsContact CE-O 3.3Å; K305-V428 WeakPolarHBondContact CE-O 3.29Å; T306-V428 HydrophobicContact CG2-CG1 4.13Å
429H91.6Very high95.1Very high112 Ų11231.9 Ų31.952%0.51919%0.186SC..SBendtrans-133.2145-178.1-166.7-98.9000111.6S431 Q432H429-S431 WeakPolarHBondContact ND1-CB 3.39Å; H429-S431 PolarHBondContact ND1-N 2.95Å; H429-S431 PolarHBondContact ND1-OG 2.83Å; H429-S431 PolarHBondContact O-N 2.87Å; H429-Q432 VanDerWaalsContact N-OE1 3.16Å; H429-Q432 WeakPolarHBondContact O-CB 3.3Å; H429-Q432 WeakPolarHBondContact O-CG 3.01Å; H429-Q432 PolarHBondContact O-N 3.33Å; H429-Q432 VanDerWaalsContact O-N 3.1Å
430G91.3Very high95.2Very high43 Ų4331 Ų3144%0.44318%0.182SC..G310 helixtrans-66-21.3-175.700000114.2Q432 D433G430-Q432 PolarHBondContact O-N 3.25Å; G430-Q432 VanDerWaalsContact O-N 3.1Å; G430-D433 WeakPolarHBondContact O-CB 3.09Å; G430-D433 PolarHBondContact O-N 3.18Å; G430-D433 VanDerWaalsContact O-N 3.1Å
431S90.8Very high95.3Very high91 Ų9129 Ų2964%0.63617%0.171SC*.G310 helixtrans-64-13.1173.263.50000113.7H429H429-S431 WeakPolarHBondContact ND1-CB 3.39Å; H429-S431 PolarHBondContact ND1-N 2.95Å; H429-S431 PolarHBondContact ND1-OG 2.83Å; H429-S431 PolarHBondContact O-N 2.87Å
432Q94.3Very high95.3Very high35 Ų3529.1 Ų29.116%0.16417%0.171CC..G310 helixtrans-89-9.9178.3-58.1-177.6-71.600112.6T394 I427 H429 G430 I434 N435 A436T394-Q432 HydrophobicContact CG2-CB 3.75Å; T394-Q432 HydrophobicContact CG2-CG 4.34Å; I427-Q432 HydrophobicContact CB-CB 4.04Å; I427-Q432 HydrophobicContact CG2-CB 3.77Å; H429-Q432 VanDerWaalsContact N-OE1 3.16Å; H429-Q432 WeakPolarHBondContact O-CB 3.3Å; H429-Q432 WeakPolarHBondContact O-CG 3.01Å; H429-Q432 PolarHBondContact O-N 3.33Å; H429-Q432 VanDerWaalsContact O-N 3.1Å; G430-Q432 PolarHBondContact O-N 3.25Å; G430-Q432 VanDerWaalsContact O-N 3.1Å; Q432-I434 PolarHBondContact O-N 3.28Å; Q432-N435 PolarHBondContact O-N 2.81Å; Q432-A436 WeakPolarHBondContact O-CB 3.4Å; Q432-A436 PolarHBondContact O-N 2.84Å
433D95.5Very high95.3Very high72 Ų7228.4 Ų28.439%0.38517%0.167SC..Hα-helixtrans-58.7-49.7-171.5-166.9-99.4000111.9I427 G430 N435 A436 V437I427-D433 HydrophobicContact CD1-CB 4.34Å; G430-D433 WeakPolarHBondContact O-CB 3.09Å; G430-D433 PolarHBondContact O-N 3.18Å; G430-D433 VanDerWaalsContact O-N 3.1Å; D433-N435 VanDerWaalsContact C-N 3.33Å; D433-N435 PolarHBondContact O-N 3.5Å; D433-A436 WeakPolarHBondContact O-CB 3.3Å; D433-A436 PolarHBondContact O-N 3.38Å; D433-V437 WeakPolarHBondContact O-CG2 3.5Å; D433-V437 PolarHBondContact O-N 2.96Å
434I95.3Very high95.3Very high57 Ų5728.2 Ų28.229%0.29217%0.166SC..Hα-helixtrans-55.2-47.5-179.9-62.7172.3000111.4Q432 A438 W528 Q529 E532Q432-I434 PolarHBondContact O-N 3.28Å; I434-A438 PolarHBondContact O-N 2.95Å; I434-A438 VanDerWaalsContact O-N 3.09Å; I434-W528 PolarHBondContact O-NE1 3.05Å; I434-Q529 HydrophobicContact CG2-CG 3.91Å; I434-E532 HydrophobicContact CG2-CB 4.39Å; I434-E532 HydrophobicContact CG2-CG 4.34Å
435N96.4Very high95.1Very high38 Ų3828.5 Ų28.520%0.20317%0.169CC..Hα-helixtrans-71.7-33.3-179.6-65.9-14.2000112.2T394 Q432 D433 A438 T439 Q529T394-N435 HydrophobicContact CG2-CB 4.07Å; Q432-N435 PolarHBondContact O-N 2.81Å; D433-N435 VanDerWaalsContact C-N 3.33Å; D433-N435 PolarHBondContact O-N 3.5Å; N435-A438 WeakPolarHBondContact O-CB 3.43Å; N435-A438 PolarHBondContact O-N 3.43Å; N435-T439 PolarHBondContact O-N 3.2Å; N435-T439 PolarHBondContact O-OG1 3.22Å; N435-Q529 PolarHBondContact OD1-NE2 2.96Å
436A97.3Very high95Very high0 Ų028.7 Ų28.70%017%0.169CC..Hα-helixtrans-68.7-42.1175.900000111.5V303 T394 V425 I427 Q432 D433 A438 T439 I440V303-A436 HydrophobicContact CB-CB 4.48Å; V303-A436 HydrophobicContact CG1-CB 3.8Å; V303-A436 HydrophobicContact CG2-CB 3.8Å; T394-A436 HydrophobicContact CG2-CB 4.46Å; V425-A436 HydrophobicContact CB-CB 3.97Å; V425-A436 HydrophobicContact CG1-CB 3.54Å; I427-A436 HydrophobicContact CG2-CB 3.8Å; Q432-A436 WeakPolarHBondContact O-CB 3.4Å; Q432-A436 PolarHBondContact O-N 2.84Å; D433-A436 WeakPolarHBondContact O-CB 3.3Å; D433-A436 PolarHBondContact O-N 3.38Å; A436-A438 VanDerWaalsContact C-N 3.27Å; A436-A438 PolarHBondContact O-N 2.77Å; A436-T439 WeakPolarHBondContact O-CB 3.4Å; A436-T439 PolarHBondContact O-N 3.07Å; A436-I440 WeakPolarHBondContact O-CG1 3.2Å; A436-I440 PolarHBondContact O-N 3.41Å; A436-I440 VanDerWaalsContact O-N 3.14Å
437V96.9Very high94.8Very high37 Ų3728.9 Ų28.922%0.22417%0.171CC..Hα-helixtrans-60.9-38173.5172.20000110.7V303 D433 T439 I440 I441 W528V303-V437 HydrophobicContact CG2-CG2 3.82Å; D433-V437 WeakPolarHBondContact O-CG2 3.5Å; D433-V437 PolarHBondContact O-N 2.96Å; V437-T439 VanDerWaalsContact C-N 3.32Å; V437-T439 PolarHBondContact O-N 2.82Å; V437-I440 PolarHBondContact O-N 2.88Å; V437-I441 HydrophobicContact CG1-CD1 3.64Å; V437-I441 HydrophobicContact CG1-CG1 4.16Å; V437-I441 WeakPolarHBondContact O-CG1 3.46Å; V437-I441 PolarHBondContact O-N 3.26Å; V437-W528 HydrophobicContact CG1-CZ2 3.94Å
438A97.4Very high94.4Very high0 Ų034.4 Ų34.40%020%0.197CC..Hα-helixtrans-56.6-45.7174.900000112.2I434 N435 A436 I440 I441 W442 W512 F515 N516 W528I434-A438 PolarHBondContact O-N 2.95Å; I434-A438 VanDerWaalsContact O-N 3.09Å; N435-A438 WeakPolarHBondContact O-CB 3.43Å; N435-A438 PolarHBondContact O-N 3.43Å; A436-A438 VanDerWaalsContact C-N 3.27Å; A436-A438 PolarHBondContact O-N 2.77Å; A438-I440 VanDerWaalsContact C-N 3.34Å; A438-I440 PolarHBondContact O-N 3.31Å; A438-I441 PolarHBondContact O-N 2.96Å; A438-W442 WeakPolarHBondContact O-CB 3.35Å; A438-W442 PolarHBondContact O-N 3.19Å; A438-W512 HydrophobicContact CB-CH2 3.92Å; A438-W512 HydrophobicContact CB-CZ3 4.25Å; A438-F515 HydrophobicContact CB-CE1 4.11Å; A438-N516 HydrophobicContact CB-CB 4.06Å; A438-N516 VanDerWaalsContact CB-ND2 3.28Å; A438-N516 WeakPolarHBondContact CB-ND2 3.41Å; A438-W528 HydrophobicContact CB-CD2 4.32Å; A438-W528 HydrophobicContact CB-CG 3.86Å
439T96.9Very high93.7Very high10 Ų1034.8 Ų34.86%0.06120%0.201CC..Hα-helixtrans-61.7-44.1177.9-57.10000110.9T394 K397 V425 N435 A436 V437 W442 D443T394-T439 WeakPolarHBondContact O-CB 3.46Å; T394-T439 PolarHBondContact O-OG1 3.33Å; K397-T439 HydrophobicContact CD-CG2 4.13Å; K397-T439 HydrophobicContact CG-CG2 4.02Å; V425-T439 HydrophobicContact CG2-CG2 4.03Å; N435-T439 PolarHBondContact O-N 3.2Å; N435-T439 PolarHBondContact O-OG1 3.22Å; A436-T439 WeakPolarHBondContact O-CB 3.4Å; A436-T439 PolarHBondContact O-N 3.07Å; V437-T439 VanDerWaalsContact C-N 3.32Å; V437-T439 PolarHBondContact O-N 2.82Å; T439-W442 PolarHBondContact O-N 2.9Å; T439-D443 VanDerWaalsContact O-CB 3.31Å; T439-D443 WeakPolarHBondContact O-CB 3.49Å; T439-D443 PolarHBondContact O-N 3.24Å
440I97.1Very high93.2Very high5 Ų537.2 Ų37.23%0.02622%0.218CC..Hα-helixtrans-63.6-44.3177.5-65.3-59.9000111.3V238 Q302 V303 P423 V425 A436 V437 A438 D443 C444V238-I440 HydrophobicContact CG1-CG2 3.61Å; Q302-I440 HydrophobicContact CB-CB 4.39Å; Q302-I440 HydrophobicContact CB-CD1 3.94Å; Q302-I440 HydrophobicContact CB-CG1 3.89Å; Q302-I440 HydrophobicContact CB-CG2 3.67Å; Q302-I440 HydrophobicContact CG-CG2 3.95Å; V303-I440 HydrophobicContact CG2-CG1 4.3Å; P423-I440 HydrophobicContact CB-CD1 4.42Å; P423-I440 WeakPolarHBondContact O-CD1 3.36Å; V425-I440 HydrophobicContact CG2-CD1 3.86Å; V425-I440 HydrophobicContact CG2-CG1 4.11Å; A436-I440 WeakPolarHBondContact O-CG1 3.2Å; A436-I440 PolarHBondContact O-N 3.41Å; A436-I440 VanDerWaalsContact O-N 3.14Å; V437-I440 PolarHBondContact O-N 2.88Å; A438-I440 VanDerWaalsContact C-N 3.34Å; A438-I440 PolarHBondContact O-N 3.31Å; I440-D443 PolarHBondContact O-N 3.38Å; I440-C444 WeakPolarHBondContact O-CB 3.43Å; I440-C444 PolarHBondContact O-N 3.29Å; I440-C444 PolarHBondContact O-SG 3.2Å; I440-C444 VanDerWaalsContact O-SG 3.38Å
441I96.3Very high93Very high4 Ų437.7 Ų37.72%0.02121%0.206CC..Hα-helixtrans-63.7-46.7179.1-71.1169.5000110.4I239 V437 A438 D443 C444 A445 T468 K472 W528I239-I441 HydrophobicContact CG2-CB 4.37Å; I239-I441 HydrophobicContact CG2-CG1 4.26Å; I239-I441 HydrophobicContact CG2-CG2 4.19Å; V437-I441 HydrophobicContact CG1-CD1 3.64Å; V437-I441 HydrophobicContact CG1-CG1 4.16Å; V437-I441 WeakPolarHBondContact O-CG1 3.46Å; V437-I441 PolarHBondContact O-N 3.26Å; A438-I441 PolarHBondContact O-N 2.96Å; I441-D443 VanDerWaalsContact C-N 3.25Å; I441-D443 PolarHBondContact O-N 2.95Å; I441-C444 PolarHBondContact O-N 2.78Å; I441-A445 WeakPolarHBondContact O-CB 3.47Å; I441-A445 PolarHBondContact O-N 2.72Å; I441-T468 HydrophobicContact CG2-CG2 4.09Å; I441-K472 HydrophobicContact CD1-CD 4.19Å; I441-K472 HydrophobicContact CD1-CG 4.2Å; I441-W528 HydrophobicContact CD1-CH2 3.14Å; I441-W528 HydrophobicContact CD1-CZ2 3.41Å; I441-W528 VanDerWaalsContact CD1-CZ2 3.41Å; I441-W528 HydrophobicContact CD1-CZ3 3.95Å
442W97.3Very high92.9Very high7 Ų737.2 Ų37.23%0.02720%0.199CC..Hα-helixtrans-58.5-42.9177.4-166.3-84.6000111.2A438 T439 F446 P457 V460 M465 W512 F515A438-W442 WeakPolarHBondContact O-CB 3.35Å; A438-W442 PolarHBondContact O-N 3.19Å; T439-W442 PolarHBondContact O-N 2.9Å; W442-F446 HydrophobicContact CB-CD2 4.48Å; W442-F446 AromaticContact CD2-CD2 3.68Å; W442-F446 HydrophobicContact CD2-CD2 3.68Å; W442-F446 AromaticContact CD2-CE2 3.74Å; W442-F446 HydrophobicContact CD2-CE2 3.74Å; W442-F446 AromaticContact CE2-CD2 3.81Å; W442-F446 HydrophobicContact CE3-CD2 4.14Å; W442-F446 AromaticContact CE3-CE2 3.69Å; W442-F446 HydrophobicContact CE3-CE2 3.69Å; W442-F446 AromaticContact CG-CD2 3.86Å; W442-F446 HydrophobicContact CG-CD2 3.86Å; W442-F446 HydrophobicContact CG-CE2 4.21Å; W442-F446 HydrophobicContact CH2-CE2 4.45Å; W442-F446 HydrophobicContact CZ2-CD2 4.35Å; W442-F446 HydrophobicContact CZ2-CE2 4.48Å; W442-F446 HydrophobicContact CZ3-CE2 4.09Å; W442-F446 WeakPolarHBondContact O-CD2 3.35Å; W442-F446 PolarHBondContact O-N 3.45Å; W442-F446 VanDerWaalsContact O-N 3.16Å; W442-P457 PolarHBondContact NE1-O 2.95Å; W442-V460 HydrophobicContact CH2-CG2 3.98Å; W442-V460 HydrophobicContact CZ2-CG1 4.34Å; W442-V460 HydrophobicContact CZ2-CG2 4.26Å; W442-M465 HydrophobicContact CE3-CE 3.63Å; W442-M465 HydrophobicContact CH2-CE 3.97Å; W442-M465 HydrophobicContact CZ3-CE 3.14Å; W442-W512 HydrophobicContact CB-CE3 3.94Å; W442-W512 HydrophobicContact CB-CZ3 3.69Å; W442-W512 AromaticContact CD2-CE3 3.57Å; W442-W512 HydrophobicContact CD2-CE3 3.57Å; W442-W512 HydrophobicContact CD2-CZ3 4.19Å; W442-W512 AromaticContact CE3-CE3 3.63Å; W442-W512 HydrophobicContact CE3-CE3 3.63Å; W442-W512 HydrophobicContact CE3-CZ3 4.17Å; W442-W512 AromaticContact CG-CE3 3.7Å; W442-W512 HydrophobicContact CG-CE3 3.7Å; W442-W512 AromaticContact CG-CZ3 4Å; W442-W512 HydrophobicContact CG-CZ3 4Å; W442-W512 HydrophobicContact CH2-CB 4.38Å; W442-W512 HydrophobicContact CZ2-CB 4.09Å; W442-W512 HydrophobicContact CZ3-CE3 4.33Å; W442-F515 HydrophobicContact CE3-CB 4.23Å; W442-F515 AromaticContact CE3-CD1 3.64Å; W442-F515 HydrophobicContact CE3-CD1 3.64Å; W442-F515 HydrophobicContact CE3-CE1 4.16Å; W442-F515 AromaticContact CE3-CG 3.98Å; W442-F515 HydrophobicContact CE3-CG 3.98Å; W442-F515 HydrophobicContact CZ3-CB 3.66Å; W442-F515 AromaticContact CZ3-CD1 3.95Å; W442-F515 HydrophobicContact CZ3-CD1 3.95Å; W442-F515 AromaticContact CZ3-CG 3.8Å; W442-F515 HydrophobicContact CZ3-CG 3.8Å
443D95.6Very high92.7Very high1 Ų137.8 Ų37.81%0.00521%0.206CC..Hα-helixtrans-66.6-49.4179.1-167.9-70.8000112.8K397 P423 T439 I440 I441 A445 A447 R451 V456K397-D443 HydrophobicContact CD-CB 4.4Å; K397-D443 WeakPolarHBondContact CD-OD2 3.28Å; K397-D443 IonicContact NZ-OD2 2.97Å; K397-D443 PolarHBondContact NZ-OD2 3.18Å; P423-D443 WeakPolarHBondContact CG-OD1 3.38Å; T439-D443 VanDerWaalsContact O-CB 3.31Å; T439-D443 WeakPolarHBondContact O-CB 3.49Å; T439-D443 PolarHBondContact O-N 3.24Å; I440-D443 PolarHBondContact O-N 3.38Å; I441-D443 VanDerWaalsContact C-N 3.25Å; I441-D443 PolarHBondContact O-N 2.95Å; D443-A445 PolarHBondContact O-N 2.72Å; D443-A447 WeakPolarHBondContact O-CB 3.42Å; D443-A447 PolarHBondContact O-N 3.07Å; D443-R451 VanDerWaalsContact CG-NH1 3.27Å; D443-R451 IonicContact OD1-CZ 3.13Å; D443-R451 VanDerWaalsContact OD1-CZ 3.24Å; D443-R451 IonicContact OD1-NH1 3.18Å; D443-R451 PolarHBondContact OD1-NH1 2.83Å; D443-R451 IonicContact OD1-NH2 3.18Å; D443-R451 PolarHBondContact OD1-NH2 3.27Å; D443-R451 IonicContact OD2-NH1 3.02Å; D443-R451 PolarHBondContact OD2-NH1 3.27Å; D443-R451 VanDerWaalsContact OD2-NH1 3.11Å; D443-V456 HydrophobicContact CB-CG1 4.01Å; D443-V456 VanDerWaalsContact OD2-CG1 3.25Å; D443-V456 WeakPolarHBondContact OD2-CG1 3.22Å
444C94.1Very high92.3Very high0 Ų035 Ų350%019%0.19CC..Hα-helixtrans-68.5-34-180-70.90000113.8H235 K236 V238 I239 I440 I441H235-C444 PolarHBondContact CE1-SG 3.27Å; H235-C444 WeakPolarHBondContact NE2-CA 3.44Å; K236-C444 PolarHBondContact NZ-O 3.44Å; K236-C444 VanDerWaalsContact NZ-O 3.09Å; V238-C444 HydrophobicContact CB-CB 4.35Å; V238-C444 HydrophobicContact CG1-CB 4.49Å; I239-C444 HydrophobicContact CG2-CB 3.68Å; I440-C444 WeakPolarHBondContact O-CB 3.43Å; I440-C444 PolarHBondContact O-N 3.29Å; I440-C444 PolarHBondContact O-SG 3.2Å; I440-C444 VanDerWaalsContact O-SG 3.38Å; I441-C444 PolarHBondContact O-N 2.78Å
445A93.7Very high92.1Very high7 Ų735.3 Ų35.36%0.05820%0.195CC..Hα-helixtrans-73.6-41.2-178.500000112.3K236 I239 I441 D443 T468K236-A445 PolarHBondContact NZ-O 3.01Å; I239-A445 HydrophobicContact CD1-CB 3.95Å; I441-A445 WeakPolarHBondContact O-CB 3.47Å; I441-A445 PolarHBondContact O-N 2.72Å; D443-A445 PolarHBondContact O-N 2.72Å; A445-T468 HydrophobicContact CB-CG2 3.46Å; A445-T468 VanDerWaalsContact CB-CG2 3.46Å
446F94.5Very high92Very high4 Ų435 Ų352%0.01820%0.195CC..Hα-helixtrans-117.511.1-166.6-45.7-53.3000113.9W442 P457 V460 M464 M465W442-F446 HydrophobicContact CB-CD2 4.48Å; W442-F446 AromaticContact CD2-CD2 3.68Å; W442-F446 HydrophobicContact CD2-CD2 3.68Å; W442-F446 AromaticContact CD2-CE2 3.74Å; W442-F446 HydrophobicContact CD2-CE2 3.74Å; W442-F446 AromaticContact CE2-CD2 3.81Å; W442-F446 HydrophobicContact CE3-CD2 4.14Å; W442-F446 AromaticContact CE3-CE2 3.69Å; W442-F446 HydrophobicContact CE3-CE2 3.69Å; W442-F446 AromaticContact CG-CD2 3.86Å; W442-F446 HydrophobicContact CG-CD2 3.86Å; W442-F446 HydrophobicContact CG-CE2 4.21Å; W442-F446 HydrophobicContact CH2-CE2 4.45Å; W442-F446 HydrophobicContact CZ2-CD2 4.35Å; W442-F446 HydrophobicContact CZ2-CE2 4.48Å; W442-F446 HydrophobicContact CZ3-CE2 4.09Å; W442-F446 WeakPolarHBondContact O-CD2 3.35Å; W442-F446 PolarHBondContact O-N 3.45Å; W442-F446 VanDerWaalsContact O-N 3.16Å; F446-P457 HydrophobicContact CB-CG 3.81Å; F446-P457 WeakPolarHBondContact O-CD 3.34Å; F446-V460 HydrophobicContact CB-CG1 3.91Å; F446-V460 HydrophobicContact CD1-CB 4.32Å; F446-V460 HydrophobicContact CD1-CG1 3.83Å; F446-V460 HydrophobicContact CD1-CG2 4.33Å; F446-V460 HydrophobicContact CD2-CG1 3.9Å; F446-V460 HydrophobicContact CD2-CG2 4.28Å; F446-V460 HydrophobicContact CE1-CB 4.4Å; F446-V460 HydrophobicContact CE1-CG1 4.34Å; F446-V460 HydrophobicContact CE1-CG2 4Å; F446-V460 HydrophobicContact CE2-CG1 4.41Å; F446-V460 HydrophobicContact CE2-CG2 3.95Å; F446-V460 HydrophobicContact CG-CB 4.48Å; F446-V460 HydrophobicContact CG-CG1 3.59Å; F446-V460 HydrophobicContact CG-CG2 4.47Å; F446-V460 HydrophobicContact CZ-CG2 3.81Å; F446-M464 HydrophobicContact CD1-CE 4.13Å; F446-M464 HydrophobicContact CE1-CB 4.07Å; F446-M465 HydrophobicContact CE2-CE 3.6Å; F446-M465 HydrophobicContact CZ-CB 4.44Å; F446-M465 HydrophobicContact CZ-CE 3.59Å; F446-M465 HydrophobicContact CZ-SD 4.03Å
447A91.1Very high91.8Very high5 Ų537.5 Ų37.54%0.04121%0.211CC..  trans-58144162.200000111.2W232 D443W232-A447 HydrophobicContact CH2-CB 3.76Å; W232-A447 VanDerWaalsContact CH2-O 3.25Å; W232-A447 WeakPolarHBondContact CH2-O 3.34Å; W232-A447 HydrophobicContact CZ3-CB 4.09Å; D443-A447 WeakPolarHBondContact O-CB 3.42Å; D443-A447 PolarHBondContact O-N 3.07Å
448E86.3Confident91.6Very high119 Ų11942 Ų4256%0.55623%0.233SC*.  trans-96.1148.5162.7-66.6-58.9144.700109.9D450 R451E448-D450 VanDerWaalsContact C-N 3.32Å; E448-D450 PolarHBondContact O-N 3.3Å; E448-R451 HydrophobicContact CB-CB 4.4Å; E448-R451 WeakPolarHBondContact O-CB 3.41Å; E448-R451 WeakPolarHBondContact O-CG 3.34Å; E448-R451 PolarHBondContact O-N 3.32Å
449P77.7Confident91.5Very high83 Ų8350.4 Ų50.454%0.53927%0.265SS..THydrogen-bonded Turntrans-56.2-40.9-177.7-27.835.7000114.4W232W232-P449 HydrophobicContact CH2-CG 4.33Å; W232-P449 HydrophobicContact CZ2-CG 4.09Å
450D82Confident91.5Very high163 Ų16350.4 Ų50.487%0.87227%0.265SS*.THydrogen-bonded Turntrans-99.222-176.1-59.8-46.7000113.1E448E448-D450 VanDerWaalsContact C-N 3.32Å; E448-D450 PolarHBondContact O-N 3.3Å
451R87.7Confident91.5Very high53 Ų5352.3 Ų52.320%0.228%0.277CS..PPolyproline II helixtrans-65.5151.6-177.769175.5173.9159.9-2.6112.2D443 E448 V455D443-R451 VanDerWaalsContact CG-NH1 3.27Å; D443-R451 IonicContact OD1-CZ 3.13Å; D443-R451 VanDerWaalsContact OD1-CZ 3.24Å; D443-R451 IonicContact OD1-NH1 3.18Å; D443-R451 PolarHBondContact OD1-NH1 2.83Å; D443-R451 IonicContact OD1-NH2 3.18Å; D443-R451 PolarHBondContact OD1-NH2 3.27Å; D443-R451 IonicContact OD2-NH1 3.02Å; D443-R451 PolarHBondContact OD2-NH1 3.27Å; D443-R451 VanDerWaalsContact OD2-NH1 3.11Å; E448-R451 HydrophobicContact CB-CB 4.4Å; E448-R451 WeakPolarHBondContact O-CB 3.41Å; E448-R451 WeakPolarHBondContact O-CG 3.34Å; E448-R451 PolarHBondContact O-N 3.32Å; R451-V455 WeakPolarHBondContact CD-O 3.4Å; R451-V455 PolarHBondContact NH1-O 2.94Å
452V88Confident91.5Very high81 Ų8152.5 Ų52.549%0.49128%0.278SS..SBendtrans-58.2134.6158.9175.60000108.3R341 F454 V455R341-V452 HydrophobicContact CB-CG1 4.46Å; R341-V452 HydrophobicContact CG-CG1 3.57Å; V452-F454 PolarHBondContact O-N 2.92Å; V452-V455 HydrophobicContact CB-CB 4.32Å; V452-V455 HydrophobicContact CB-CG2 3.78Å; V452-V455 HydrophobicContact CG1-CG2 3.88Å; V452-V455 WeakPolarHBondContact O-CB 3.37Å; V452-V455 PolarHBondContact O-N 2.83Å
453P88.8Confident91.4Very high48 Ų4857.4 Ų57.431%0.31230%0.299SS..THydrogen-bonded Turntrans-46.2125.2-175-33.736.9000113.7A340 R341 V455A340-P453 HydrophobicContact CB-CB 3.97Å; R341-P453 HydrophobicContact CG-CB 4.37Å; P453-V455 PolarHBondContact O-N 3.31Å
454F88.8Confident91.3Very high12 Ų1261 Ų615%0.05332%0.317CS..THydrogen-bonded Turntrans63.610.8-179.8-38.3-51.7000116.3E337 A340 K397 A399 P423 V452E337-F454 HydrophobicContact CB-CD2 3.91Å; E337-F454 HydrophobicContact CG-CB 4.23Å; E337-F454 HydrophobicContact CG-CD2 3.72Å; E337-F454 HydrophobicContact CG-CG 4.39Å; A340-F454 HydrophobicContact CB-CD2 4.02Å; A340-F454 HydrophobicContact CB-CE2 3.23Å; A340-F454 HydrophobicContact CB-CZ 3.84Å; K397-F454 HydrophobicContact CD-CB 4.25Å; K397-F454 PolarHBondContact NZ-O 3.02Å; A399-F454 HydrophobicContact CB-CE1 4.38Å; A399-F454 HydrophobicContact CB-CE2 4.4Å; A399-F454 HydrophobicContact CB-CZ 3.57Å; P423-F454 HydrophobicContact CB-CD1 3.68Å; P423-F454 HydrophobicContact CB-CE1 3.76Å; P423-F454 HydrophobicContact CG-CD1 4.17Å; P423-F454 HydrophobicContact CG-CE1 4.32Å; V452-F454 PolarHBondContact O-N 2.92Å
455V90.5Very high91.5Very high65 Ų6561 Ų6139%0.39432%0.317SS..  trans-77.9131.6171.4177.50000109.4R451 V452 P453R451-V455 WeakPolarHBondContact CD-O 3.4Å; R451-V455 PolarHBondContact NH1-O 2.94Å; V452-V455 HydrophobicContact CB-CB 4.32Å; V452-V455 HydrophobicContact CB-CG2 3.78Å; V452-V455 HydrophobicContact CG1-CG2 3.88Å; V452-V455 WeakPolarHBondContact O-CB 3.37Å; V452-V455 PolarHBondContact O-N 2.83Å; P453-V455 PolarHBondContact O-N 3.31Å
456V93.8Very high91.7Very high32 Ų3261.3 Ų61.319%0.19432%0.317CS..  trans-138.2152.4-177.8-62.80000108.4D443D443-V456 HydrophobicContact CB-CG1 4.01Å; D443-V456 VanDerWaalsContact OD2-CG1 3.25Å; D443-V456 WeakPolarHBondContact OD2-CG1 3.22Å
457P94.1Very high91.7Very high52 Ų5265.2 Ų65.234%0.33834%0.335SS..  trans-67.9141.7175.628.9-34.8000110.9W442 F446 R459 V460W442-P457 PolarHBondContact NE1-O 2.95Å; F446-P457 HydrophobicContact CB-CG 3.81Å; F446-P457 WeakPolarHBondContact O-CD 3.34Å; P457-R459 PolarHBondContact O-N 3.48Å; P457-V460 HydrophobicContact CB-CG1 4.39Å; P457-V460 HydrophobicContact CG-CG1 3.73Å
458D92.2Very high92Very high130 Ų13065.3 Ų65.370%0.69534%0.336SS*.SBendtrans-73.4-13.6175.9-65.1-38.5000113T511 W512D458-T511 WeakPolarHBondContact O-CA 3.36Å; D458-W512 PolarHBondContact O-N 2.93Å
459R95.9Very high92.5Very high177 Ų17759.7 Ų59.767%0.66831%0.31SS*.EExtended strand (participates in β ladder)trans-152.2145.7-177.768.3-169.2170.5-162.5-5.9111.7P457 V509 V510 T511P457-R459 PolarHBondContact O-N 3.48Å; R459-V509 HydrophobicContact CB-CG1 3.55Å; R459-V509 HydrophobicContact CG-CG1 3.7Å; R459-V510 CarbonylContact C-O 3.51Å; R459-V510 WeakPolarHBondContact CA-O 3.34Å; R459-T511 HydrophobicContact CB-CG2 4.12Å
460V96.5Very high93.5Very high10 Ų1056.6 Ų56.66%0.06129%0.288CS..EExtended strand (participates in β ladder)trans-139163-177-62.30000111.1W442 F446 P457 M465 V509 V510W442-V460 HydrophobicContact CH2-CG2 3.98Å; W442-V460 HydrophobicContact CZ2-CG1 4.34Å; W442-V460 HydrophobicContact CZ2-CG2 4.26Å; F446-V460 HydrophobicContact CB-CG1 3.91Å; F446-V460 HydrophobicContact CD1-CB 4.32Å; F446-V460 HydrophobicContact CD1-CG1 3.83Å; F446-V460 HydrophobicContact CD1-CG2 4.33Å; F446-V460 HydrophobicContact CD2-CG1 3.9Å; F446-V460 HydrophobicContact CD2-CG2 4.28Å; F446-V460 HydrophobicContact CE1-CB 4.4Å; F446-V460 HydrophobicContact CE1-CG1 4.34Å; F446-V460 HydrophobicContact CE1-CG2 4Å; F446-V460 HydrophobicContact CE2-CG1 4.41Å; F446-V460 HydrophobicContact CE2-CG2 3.95Å; F446-V460 HydrophobicContact CG-CB 4.48Å; F446-V460 HydrophobicContact CG-CG1 3.59Å; F446-V460 HydrophobicContact CG-CG2 4.47Å; F446-V460 HydrophobicContact CZ-CG2 3.81Å; P457-V460 HydrophobicContact CB-CG1 4.39Å; P457-V460 HydrophobicContact CG-CG1 3.73Å; V460-M465 HydrophobicContact CG2-CB 4.37Å; V460-M465 HydrophobicContact CG2-CE 4.26Å; V460-V509 CarbonylContact O-C 3.47Å; V460-V509 WeakPolarHBondContact O-CA 3.25Å; V460-V510 HydrophobicContact CG2-CG1 3.58Å; V460-V510 PolarHBondContact N-O 3.35Å; V460-V510 WeakPolarHBondContact O-CG1 3.46Å; V460-V510 PolarHBondContact O-N 3.28Å
461T96.6Very high94.2Very high45 Ų4550.2 Ų50.228%0.27626%0.255SS..EExtended strand (participates in β ladder)trans-68.9148.417462.70000110.7K463 M464 M465 S508T461-K463 PolarHBondContact O-N 3.38Å; T461-M464 PolarHBondContact O-N 3.4Å; T461-M464 VanDerWaalsContact OG1-CG 3.3Å; T461-M464 WeakPolarHBondContact OG1-CG 3.32Å; T461-M464 PolarHBondContact OG1-N 3.34Å; T461-M465 PolarHBondContact O-N 3.2Å; T461-M465 VanDerWaalsContact O-N 3.13Å; T461-S508 CarbonylContact C-O 3.26Å; T461-S508 WeakPolarHBondContact CA-O 3.43Å
462W95.8Very high94.7Very high9 Ų948.7 Ų48.73%0.03425%0.25CS..Hα-helixtrans-60-36.3176.8177.9-119.9000111.2M464 M465 I466 L469 L491 A492 I495 F496 L505 S506 S508 F527W462-M464 PolarHBondContact O-N 3.5Å; W462-M465 HydrophobicContact CE3-CB 3.96Å; W462-M465 HydrophobicContact CE3-CG 3.89Å; W462-M465 HydrophobicContact CZ3-CB 4.22Å; W462-M465 HydrophobicContact CZ3-CG 3.64Å; W462-M465 PolarHBondContact O-N 2.86Å; W462-M465 VanDerWaalsContact O-N 3.16Å; W462-I466 HydrophobicContact CD2-CB 4.32Å; W462-I466 HydrophobicContact CH2-CB 4.42Å; W462-I466 HydrophobicContact CH2-CD1 4.12Å; W462-I466 HydrophobicContact CZ2-CB 3.88Å; W462-I466 HydrophobicContact CZ2-CD1 3.71Å; W462-I466 HydrophobicContact CZ2-CG1 3.99Å; W462-I466 VanDerWaalsContact O-CG2 3.31Å; W462-I466 WeakPolarHBondContact O-CG2 3.19Å; W462-I466 PolarHBondContact O-N 3.45Å; W462-L469 HydrophobicContact CH2-CD1 4.15Å; W462-L469 HydrophobicContact CZ3-CD1 4.41Å; W462-L491 HydrophobicContact CH2-CB 3.85Å; W462-L491 HydrophobicContact CZ2-CB 3.77Å; W462-A492 HydrophobicContact CD2-CB 4.34Å; W462-A492 VanDerWaalsContact CZ2-CA 3.48Å; W462-A492 HydrophobicContact CZ2-CB 3.78Å; W462-A492 VanDerWaalsContact NE1-CB 3.29Å; W462-I495 HydrophobicContact CE3-CG2 3.99Å; W462-I495 HydrophobicContact CH2-CG2 4.06Å; W462-I495 HydrophobicContact CZ3-CB 4.44Å; W462-I495 HydrophobicContact CZ3-CD1 4.06Å; W462-I495 HydrophobicContact CZ3-CG2 3.65Å; W462-F496 HydrophobicContact CB-CE2 4.07Å; W462-F496 HydrophobicContact CB-CZ 4.04Å; W462-F496 HydrophobicContact CD2-CE2 4.12Å; W462-F496 HydrophobicContact CE3-CE2 4.34Å; W462-F496 HydrophobicContact CE3-CZ 4.45Å; W462-F496 AromaticContact CG-CE2 3.98Å; W462-F496 HydrophobicContact CG-CE2 3.98Å; W462-F496 HydrophobicContact CG-CZ 4.36Å; W462-L505 VanDerWaalsContact CB-O 3.27Å; W462-L505 WeakPolarHBondContact CB-O 3.19Å; W462-S506 PolarHBondContact N-O 3.32Å; W462-S508 PolarHBondContact N-O 3.33Å; W462-F527 HydrophobicContact CH2-CZ 4.39Å
463K95Very high95.2Very high110 Ų11044.9 Ų44.948%0.47823%0.227SC..Hα-helixtrans-52.7-51.1173.8-174.9179.1177.8-177.50112.4T461 M465 I466 E467 S506T461-K463 PolarHBondContact O-N 3.38Å; K463-M465 VanDerWaalsContact C-N 3.33Å; K463-M465 PolarHBondContact O-N 3.21Å; K463-I466 WeakPolarHBondContact O-CG2 3.37Å; K463-E467 VanDerWaalsContact CE-OE1 3.31Å; K463-E467 WeakPolarHBondContact CE-OE1 3.34Å; K463-E467 WeakPolarHBondContact O-CB 3.3Å; K463-E467 VanDerWaalsContact O-CG 3.27Å; K463-E467 WeakPolarHBondContact O-CG 3.37Å; K463-E467 PolarHBondContact O-N 2.79Å; K463-E467 VanDerWaalsContact O-N 3.12Å; K463-S506 PolarHBondContact N-O 2.89Å
464M95.1Very high95.6Very high76 Ų7643.2 Ų43.237%0.37422%0.216SC..Hα-helixtrans-63.6-41178.3-68.817171.500111.5F446 T461 W462 T468F446-M464 HydrophobicContact CD1-CE 4.13Å; F446-M464 HydrophobicContact CE1-CB 4.07Å; T461-M464 PolarHBondContact O-N 3.4Å; T461-M464 VanDerWaalsContact OG1-CG 3.3Å; T461-M464 WeakPolarHBondContact OG1-CG 3.32Å; T461-M464 PolarHBondContact OG1-N 3.34Å; W462-M464 PolarHBondContact O-N 3.5Å; M464-T468 WeakPolarHBondContact O-CB 3.38Å; M464-T468 PolarHBondContact O-N 2.78Å; M464-T468 VanDerWaalsContact O-N 3.08Å; M464-T468 PolarHBondContact O-OG1 3.14Å
465M97.5Very high96Very high1 Ų145.5 Ų45.51%0.00523%0.234CC..Hα-helixtrans-64.8-49.7178.4177.45774.200112.3W442 F446 V460 T461 W462 K463 E467 T468 L469 V510 F515W442-M465 HydrophobicContact CE3-CE 3.63Å; W442-M465 HydrophobicContact CH2-CE 3.97Å; W442-M465 HydrophobicContact CZ3-CE 3.14Å; F446-M465 HydrophobicContact CE2-CE 3.6Å; F446-M465 HydrophobicContact CZ-CB 4.44Å; F446-M465 HydrophobicContact CZ-CE 3.59Å; F446-M465 HydrophobicContact CZ-SD 4.03Å; V460-M465 HydrophobicContact CG2-CB 4.37Å; V460-M465 HydrophobicContact CG2-CE 4.26Å; T461-M465 PolarHBondContact O-N 3.2Å; T461-M465 VanDerWaalsContact O-N 3.13Å; W462-M465 HydrophobicContact CE3-CB 3.96Å; W462-M465 HydrophobicContact CE3-CG 3.89Å; W462-M465 HydrophobicContact CZ3-CB 4.22Å; W462-M465 HydrophobicContact CZ3-CG 3.64Å; W462-M465 PolarHBondContact O-N 2.86Å; W462-M465 VanDerWaalsContact O-N 3.16Å; K463-M465 VanDerWaalsContact C-N 3.33Å; K463-M465 PolarHBondContact O-N 3.21Å; M465-E467 VanDerWaalsContact C-N 3.33Å; M465-E467 PolarHBondContact O-N 2.9Å; M465-T468 WeakPolarHBondContact O-CA 3.26Å; M465-T468 WeakPolarHBondContact O-CB 3.3Å; M465-T468 PolarHBondContact O-N 2.79Å; M465-T468 VanDerWaalsContact O-N 3.13Å; M465-L469 HydrophobicContact CG-CD1 4.05Å; M465-L469 HydrophobicContact CG-CG 4.34Å; M465-L469 WeakPolarHBondContact O-CG 3.36Å; M465-L469 PolarHBondContact O-N 2.77Å; M465-L469 HydrophobicContact SD-CD1 4.19Å; M465-L469 HydrophobicContact SD-CD2 4.33Å; M465-L469 HydrophobicContact SD-CG 3.97Å; M465-V510 HydrophobicContact CB-CG1 3.8Å; M465-V510 HydrophobicContact CE-CG1 4.16Å; M465-V510 HydrophobicContact CG-CG1 4.1Å; M465-F515 HydrophobicContact CE-CD2 3.83Å; M465-F515 HydrophobicContact CE-CE2 4.08Å; M465-F515 HydrophobicContact CE-CG 4.19Å; M465-F515 HydrophobicContact SD-CD2 4.11Å; M465-F515 HydrophobicContact SD-CE2 3.9Å
466I97.2Very high96.2Very high12 Ų1245.2 Ų45.26%0.06223%0.228CC..Hα-helixtrans-68.7-33.3-176.2-167.855.2000112.3W462 K463 L469 N470 L483 K488 L491W462-I466 HydrophobicContact CD2-CB 4.32Å; W462-I466 HydrophobicContact CH2-CB 4.42Å; W462-I466 HydrophobicContact CH2-CD1 4.12Å; W462-I466 HydrophobicContact CZ2-CB 3.88Å; W462-I466 HydrophobicContact CZ2-CD1 3.71Å; W462-I466 HydrophobicContact CZ2-CG1 3.99Å; W462-I466 VanDerWaalsContact O-CG2 3.31Å; W462-I466 WeakPolarHBondContact O-CG2 3.19Å; W462-I466 PolarHBondContact O-N 3.45Å; K463-I466 WeakPolarHBondContact O-CG2 3.37Å; I466-L469 HydrophobicContact CD1-CB 4.46Å; I466-L469 HydrophobicContact CD1-CD1 4.34Å; I466-N470 VanDerWaalsContact O-CB 3.3Å; I466-N470 WeakPolarHBondContact O-CB 3.44Å; I466-N470 PolarHBondContact O-N 3.5Å; I466-L483 HydrophobicContact CD1-CD1 4.28Å; I466-K488 HydrophobicContact CD1-CB 4.23Å; I466-K488 HydrophobicContact CD1-CG 4.05Å; I466-K488 HydrophobicContact CG1-CB 3.81Å; I466-K488 HydrophobicContact CG1-CD 4.05Å; I466-K488 HydrophobicContact CG1-CG 3.62Å; I466-L491 HydrophobicContact CD1-CB 4.16Å; I466-L491 HydrophobicContact CD1-CD1 3.59Å
467E95.9Very high96.4Very high86 Ų8643.9 Ų43.940%0.40222%0.22SC..Hα-helixtrans-63-44.1170.6-73.8173.1-175.100110.8K463 M465 N470 V471K463-E467 VanDerWaalsContact CE-OE1 3.31Å; K463-E467 WeakPolarHBondContact CE-OE1 3.34Å; K463-E467 WeakPolarHBondContact O-CB 3.3Å; K463-E467 VanDerWaalsContact O-CG 3.27Å; K463-E467 WeakPolarHBondContact O-CG 3.37Å; K463-E467 PolarHBondContact O-N 2.79Å; K463-E467 VanDerWaalsContact O-N 3.12Å; M465-E467 VanDerWaalsContact C-N 3.33Å; M465-E467 PolarHBondContact O-N 2.9Å; E467-N470 PolarHBondContact O-N 2.92Å; E467-V471 WeakPolarHBondContact O-CG2 3.27Å; E467-V471 PolarHBondContact O-N 3.46Å
468T96.6Very high96.6Very high8 Ų843.3 Ų43.35%0.04922%0.224CC..Hα-helixtrans-60.5-48.9175.2-60.90000111.8I239 I441 A445 M464 M465 N470 V471 K472I239-T468 HydrophobicContact CD1-CG2 4.22Å; I441-T468 HydrophobicContact CG2-CG2 4.09Å; A445-T468 HydrophobicContact CB-CG2 3.46Å; A445-T468 VanDerWaalsContact CB-CG2 3.46Å; M464-T468 WeakPolarHBondContact O-CB 3.38Å; M464-T468 PolarHBondContact O-N 2.78Å; M464-T468 VanDerWaalsContact O-N 3.08Å; M464-T468 PolarHBondContact O-OG1 3.14Å; M465-T468 WeakPolarHBondContact O-CA 3.26Å; M465-T468 WeakPolarHBondContact O-CB 3.3Å; M465-T468 PolarHBondContact O-N 2.79Å; M465-T468 VanDerWaalsContact O-N 3.13Å; T468-N470 VanDerWaalsContact C-N 3.29Å; T468-N470 PolarHBondContact O-N 2.75Å; T468-V471 PolarHBondContact O-N 3.19Å; T468-K472 VanDerWaalsContact O-CB 3.28Å; T468-K472 WeakPolarHBondContact O-CB 3.42Å; T468-K472 PolarHBondContact O-N 2.88Å
469L97.9Very high96.7Very high1 Ų137.7 Ų37.71%0.00519%0.194CC..Hα-helixtrans-60.5-40178.1-69.6174.8000111.7W462 M465 I466 F473 F515 F527 W528 F531W462-L469 HydrophobicContact CH2-CD1 4.15Å; W462-L469 HydrophobicContact CZ3-CD1 4.41Å; M465-L469 HydrophobicContact CG-CD1 4.05Å; M465-L469 HydrophobicContact CG-CG 4.34Å; M465-L469 WeakPolarHBondContact O-CG 3.36Å; M465-L469 PolarHBondContact O-N 2.77Å; M465-L469 HydrophobicContact SD-CD1 4.19Å; M465-L469 HydrophobicContact SD-CD2 4.33Å; M465-L469 HydrophobicContact SD-CG 3.97Å; I466-L469 HydrophobicContact CD1-CB 4.46Å; I466-L469 HydrophobicContact CD1-CD1 4.34Å; L469-F473 WeakPolarHBondContact O-CB 3.42Å; L469-F473 PolarHBondContact O-N 3.27Å; L469-F515 HydrophobicContact CD2-CE2 4.22Å; L469-F527 HydrophobicContact CD1-CE1 3.86Å; L469-F527 HydrophobicContact CD1-CZ 4.06Å; L469-W528 HydrophobicContact CD2-CE3 4.5Å; L469-W528 HydrophobicContact CD2-CZ3 4.17Å; L469-F531 HydrophobicContact CB-CE1 4.27Å; L469-F531 HydrophobicContact CB-CE2 4.4Å; L469-F531 HydrophobicContact CB-CZ 3.87Å; L469-F531 HydrophobicContact CD2-CD1 3.86Å; L469-F531 HydrophobicContact CD2-CE1 3.7Å; L469-F531 HydrophobicContact CD2-CG 4.37Å; L469-F531 HydrophobicContact CD2-CZ 4.08Å; L469-F531 HydrophobicContact CG-CZ 4.45Å
470N97.9Very high96.7Very high17 Ų1736.9 Ų36.99%0.09120%0.203CC..Hα-helixtrans-63.5-51.7176.8179.873.5000111.9I466 E467 T468 K472 F473 C474 N482 L483I466-N470 VanDerWaalsContact O-CB 3.3Å; I466-N470 WeakPolarHBondContact O-CB 3.44Å; I466-N470 PolarHBondContact O-N 3.5Å; E467-N470 PolarHBondContact O-N 2.92Å; T468-N470 VanDerWaalsContact C-N 3.29Å; T468-N470 PolarHBondContact O-N 2.75Å; N470-K472 VanDerWaalsContact C-N 3.31Å; N470-K472 PolarHBondContact O-N 3.36Å; N470-F473 PolarHBondContact O-N 3.19Å; N470-C474 WeakPolarHBondContact O-CB 3.35Å; N470-C474 PolarHBondContact O-N 3.37Å; N470-C474 PolarHBondContact O-SG 2.69Å; N470-C474 VanDerWaalsContact O-SG 3.38Å; N470-N482 PolarHBondContact ND2-OD1 2.71Å; N470-N482 PolarHBondContact OD1-OD1 3.17Å; N470-L483 HydrophobicContact CB-CD1 4.04Å; N470-L483 HydrophobicContact CB-CG 4.33Å; N470-L483 WeakPolarHBondContact OD1-CB 3.43Å; N470-L483 PolarHBondContact OD1-N 3.15Å
471V96.9Very high96.6Very high30 Ų3039.6 Ų39.618%0.18222%0.215CC..Hα-helixtrans-59.6-45.1178.4173.10000110.4Y241 E467 T468 F473 C474 S475Y241-V471 HydrophobicContact CD1-CG1 4.48Å; Y241-V471 HydrophobicContact CD2-CG1 3.99Å; Y241-V471 HydrophobicContact CE1-CG2 4.24Å; Y241-V471 HydrophobicContact CE2-CB 4.47Å; Y241-V471 HydrophobicContact CE2-CG1 4.01Å; Y241-V471 HydrophobicContact CE2-CG2 4.42Å; Y241-V471 HydrophobicContact CG-CG1 4.22Å; E467-V471 WeakPolarHBondContact O-CG2 3.27Å; E467-V471 PolarHBondContact O-N 3.46Å; T468-V471 PolarHBondContact O-N 3.19Å; V471-F473 PolarHBondContact O-N 3.48Å; V471-C474 PolarHBondContact O-N 3.02Å; V471-S475 VanDerWaalsContact O-CB 3.32Å; V471-S475 WeakPolarHBondContact O-CB 3.36Å; V471-S475 PolarHBondContact O-N 3.12Å
472K97.1Very high96.6Very high21 Ų2141.7 Ų41.79%0.09122%0.224CC..Hα-helixtrans-62-46.1178.9-17962.3-168.8169.80111.9I239 I441 T468 N470 S475 E476 M535I239-K472 VanDerWaalsContact O-CA 3.3Å; I239-K472 WeakPolarHBondContact O-CA 3.36Å; I239-K472 PolarHBondContact O-N 2.99Å; I441-K472 HydrophobicContact CD1-CD 4.19Å; I441-K472 HydrophobicContact CD1-CG 4.2Å; T468-K472 VanDerWaalsContact O-CB 3.28Å; T468-K472 WeakPolarHBondContact O-CB 3.42Å; T468-K472 PolarHBondContact O-N 2.88Å; N470-K472 VanDerWaalsContact C-N 3.31Å; N470-K472 PolarHBondContact O-N 3.36Å; K472-S475 PolarHBondContact O-N 3.02Å; K472-E476 VanDerWaalsContact CE-OE2 3.32Å; K472-E476 WeakPolarHBondContact CE-OE2 3.3Å; K472-E476 IonicContact NZ-OE2 3.7Å; K472-E476 PolarHBondContact NZ-OE2 2.97Å; K472-E476 WeakPolarHBondContact O-CB 3.29Å; K472-E476 PolarHBondContact O-N 3.31Å; K472-M535 HydrophobicContact CG-CE 4.45Å; K472-M535 HydrophobicContact CG-SD 4.03Å
473F98.2Very high96.6Very high0 Ų041.4 Ų41.40%022%0.224CC..Hα-helixtrans-60.8-49.6178.3-173.3-83.7000111.6L469 N470 V471 S475 E476 V477 L483 F531 M535 T538 W546 F554L469-F473 WeakPolarHBondContact O-CB 3.42Å; L469-F473 PolarHBondContact O-N 3.27Å; N470-F473 PolarHBondContact O-N 3.19Å; V471-F473 PolarHBondContact O-N 3.48Å; F473-S475 PolarHBondContact O-N 3.31Å; F473-E476 PolarHBondContact O-N 2.95Å; F473-V477 HydrophobicContact CD1-CG2 4.18Å; F473-V477 HydrophobicContact CE1-CG2 3.93Å; F473-V477 HydrophobicContact CE2-CG2 4.4Å; F473-V477 HydrophobicContact CZ-CG2 4.07Å; F473-V477 VanDerWaalsContact O-CB 3.29Å; F473-V477 WeakPolarHBondContact O-CB 3.48Å; F473-V477 VanDerWaalsContact O-CG2 3.27Å; F473-V477 WeakPolarHBondContact O-CG2 3.05Å; F473-V477 PolarHBondContact O-N 3.06Å; F473-L483 HydrophobicContact CD1-CD2 4.38Å; F473-L483 HydrophobicContact CG-CD2 4.44Å; F473-F531 HydrophobicContact CB-CZ 4.12Å; F473-F531 HydrophobicContact CD2-CE1 4.43Å; F473-F531 AromaticContact CD2-CZ 3.97Å; F473-F531 HydrophobicContact CD2-CZ 3.97Å; F473-F531 HydrophobicContact CG-CZ 4.47Å; F473-M535 HydrophobicContact CD2-CB 3.95Å; F473-M535 HydrophobicContact CD2-CG 3.97Å; F473-M535 HydrophobicContact CE2-CB 4.18Å; F473-M535 HydrophobicContact CE2-CG 4.46Å; F473-T538 HydrophobicContact CE1-CG2 4.43Å; F473-T538 HydrophobicContact CZ-CG2 3.93Å; F473-W546 HydrophobicContact CD1-CZ2 4.38Å; F473-W546 AromaticContact CE1-CD2 3.9Å; F473-W546 HydrophobicContact CE1-CD2 3.9Å; F473-W546 AromaticContact CE1-CE2 3.44Å; F473-W546 VanDerWaalsContact CE1-CE2 3.44Å; F473-W546 HydrophobicContact CE1-CE3 4.47Å; F473-W546 HydrophobicContact CE1-CG 4.37Å; F473-W546 HydrophobicContact CE1-CH2 4.27Å; F473-W546 AromaticContact CE1-CZ2 3.66Å; F473-W546 HydrophobicContact CE1-CZ2 3.66Å; F473-W546 AromaticContact CE1-NE1 3.61Å; F473-W546 HydrophobicContact CZ-CD2 4.15Å; F473-W546 HydrophobicContact CZ-CE3 4.31Å; F473-W546 HydrophobicContact CZ-CH2 4.34Å; F473-W546 HydrophobicContact CZ-CZ2 4.17Å; F473-W546 HydrophobicContact CZ-CZ3 4.39Å; F473-F554 HydrophobicContact CD2-CE2 4.35Å; F473-F554 HydrophobicContact CD2-CZ 4.45Å; F473-F554 AromaticContact CE2-CE2 3.96Å; F473-F554 HydrophobicContact CE2-CE2 3.96Å; F473-F554 HydrophobicContact CE2-CZ 4.05Å; F473-F554 HydrophobicContact CZ-CE2 4.44Å
474C97.5Very high96.5Very high14 Ų1438.2 Ų38.210%0.09521%0.212CC..Hα-helixtrans-60.1-44.8179.1-72.10000112.1N470 V471 G478 T479N470-C474 WeakPolarHBondContact O-CB 3.35Å; N470-C474 PolarHBondContact O-N 3.37Å; N470-C474 PolarHBondContact O-SG 2.69Å; N470-C474 VanDerWaalsContact O-SG 3.38Å; V471-C474 PolarHBondContact O-N 3.02Å; C474-G478 CarbonylContact O-C 3.52Å; C474-G478 VanDerWaalsContact O-CA 3.3Å; C474-G478 WeakPolarHBondContact O-CA 3.5Å; C474-G478 PolarHBondContact O-N 3.31Å; C474-T479 VanDerWaalsContact CB-O 3.32Å; C474-T479 WeakPolarHBondContact CB-O 3.45Å; C474-T479 PolarHBondContact O-N 3.49Å
475S96.9Very high96.4Very high59 Ų5939.5 Ų39.541%0.41323%0.226SC..Hα-helixtrans-66.1-48.5178.9-176.40000112.5G240 V471 K472 F473 V477 G478G240-S475 VanDerWaalsContact CA-CB 3.41Å; G240-S475 WeakPolarHBondContact CA-OG 3.37Å; V471-S475 VanDerWaalsContact O-CB 3.32Å; V471-S475 WeakPolarHBondContact O-CB 3.36Å; V471-S475 PolarHBondContact O-N 3.12Å; K472-S475 PolarHBondContact O-N 3.02Å; F473-S475 PolarHBondContact O-N 3.31Å; S475-V477 PolarHBondContact O-N 2.89Å; S475-G478 PolarHBondContact O-N 3.45Å; S475-G478 VanDerWaalsContact O-N 3.09Å
476E96.5Very high96Very high59 Ų5945.9 Ų45.928%0.27625%0.251SS..Hα-helixtrans-67-38.2-176.2-167.465.7-133.900112.3K472 F473 G478 M535 K539K472-E476 VanDerWaalsContact CE-OE2 3.32Å; K472-E476 WeakPolarHBondContact CE-OE2 3.3Å; K472-E476 IonicContact NZ-OE2 3.7Å; K472-E476 PolarHBondContact NZ-OE2 2.97Å; K472-E476 WeakPolarHBondContact O-CB 3.29Å; K472-E476 PolarHBondContact O-N 3.31Å; F473-E476 PolarHBondContact O-N 2.95Å; E476-G478 VanDerWaalsContact C-N 3.34Å; E476-M535 HydrophobicContact CB-CE 4.35Å; E476-M535 HydrophobicContact CB-CG 3.93Å; E476-M535 HydrophobicContact CB-SD 3.55Å; E476-M535 VanDerWaalsContact CB-SD 3.55Å; E476-M535 HydrophobicContact CG-CE 3.93Å; E476-M535 HydrophobicContact CG-CG 3.9Å; E476-M535 HydrophobicContact CG-SD 3.73Å; E476-K539 HydrophobicContact CG-CD 4.25Å; E476-K539 VanDerWaalsContact O-CD 3.32Å; E476-K539 WeakPolarHBondContact O-CD 3.24Å; E476-K539 WeakPolarHBondContact O-CG 2.95Å; E476-K539 IonicContact OE1-NZ 3.93Å; E476-K539 PolarHBondContact OE1-NZ 3.06Å
477V97.4Very high95.9Very high4 Ų445.4 Ų45.42%0.02425%0.248CC..Hα-helixtrans-77-24.5173.6176.60000111.2F473 S475 T479 M535 T538 K539 K543F473-V477 HydrophobicContact CD1-CG2 4.18Å; F473-V477 HydrophobicContact CE1-CG2 3.93Å; F473-V477 HydrophobicContact CE2-CG2 4.4Å; F473-V477 HydrophobicContact CZ-CG2 4.07Å; F473-V477 VanDerWaalsContact O-CB 3.29Å; F473-V477 WeakPolarHBondContact O-CB 3.48Å; F473-V477 VanDerWaalsContact O-CG2 3.27Å; F473-V477 WeakPolarHBondContact O-CG2 3.05Å; F473-V477 PolarHBondContact O-N 3.06Å; S475-V477 PolarHBondContact O-N 2.89Å; V477-T479 HydrophobicContact CB-CG2 4Å; V477-T479 HydrophobicContact CG1-CG2 3.78Å; V477-M535 HydrophobicContact CG2-CG 4.33Å; V477-T538 HydrophobicContact CB-CG2 4.47Å; V477-T538 HydrophobicContact CG1-CG2 3.73Å; V477-T538 HydrophobicContact CG2-CG2 3.81Å; V477-K539 HydrophobicContact CG2-CB 4.46Å; V477-K543 HydrophobicContact CG1-CB 4.02Å; V477-K543 HydrophobicContact CG1-CG 4.03Å; V477-K543 VanDerWaalsContact O-CD 3.22Å; V477-K543 WeakPolarHBondContact O-CD 3Å; V477-K543 WeakPolarHBondContact O-CE 3.45Å; V477-K543 PolarHBondContact O-NZ 3.02Å
478G97.1Very high95.9Very high41 Ų4144.9 Ų44.942%0.42325%0.245SC..THydrogen-bonded Turntrans68.151.2-174.300000112C474 S475 E476 K543C474-G478 CarbonylContact O-C 3.52Å; C474-G478 VanDerWaalsContact O-CA 3.3Å; C474-G478 WeakPolarHBondContact O-CA 3.5Å; C474-G478 PolarHBondContact O-N 3.31Å; S475-G478 PolarHBondContact O-N 3.45Å; S475-G478 VanDerWaalsContact O-N 3.09Å; E476-G478 VanDerWaalsContact C-N 3.34Å; G478-K543 WeakPolarHBondContact O-CE 3.21Å; G478-K543 PolarHBondContact O-NZ 2.96Å
479T95.9Very high95.6Very high11 Ų1146 Ų467%0.06725%0.25CC..  trans-131.8150.5-179-172.60000110.9C474 V477 H481 S547C474-T479 VanDerWaalsContact CB-O 3.32Å; C474-T479 WeakPolarHBondContact CB-O 3.45Å; C474-T479 PolarHBondContact O-N 3.49Å; V477-T479 HydrophobicContact CB-CG2 4Å; V477-T479 HydrophobicContact CG1-CG2 3.78Å; T479-H481 PolarHBondContact OG1-N 2.79Å; T479-S547 WeakPolarHBondContact CB-OG 3.2Å; T479-S547 PolarHBondContact OG1-OG 3.04Å
480N94.3Very high95.4Very high161 Ų16146.9 Ų46.986%0.86125%0.253SS*.SBendtrans-93.9-0.5172-63-27.5000112.2N482N480-N482 PolarHBondContact O-N 3.28Å
481H95.6Very high95.2Very high67 Ų6746.1 Ų46.131%0.3125%0.249SC..  trans-81.3105.3177.9-165.277.4000110.1T479 W546T479-H481 PolarHBondContact OG1-N 2.79Å; H481-W546 AromaticContact CD2-CE2 3.83Å; H481-W546 AromaticContact CD2-NE1 3.58Å; H481-W546 PolarHBondContact CD2-O 2.73Å; H481-W546 PolarHBondContact O-NE1 2.9Å
482N96.6Very high95.1Very high88 Ų8844.8 Ų44.847%0.47124%0.241SC..PPolyproline II helixtrans-73.4159-178-69.6-69.3000112.6N470 N480 N484N470-N482 PolarHBondContact ND2-OD1 2.71Å; N470-N482 PolarHBondContact OD1-OD1 3.17Å; N480-N482 PolarHBondContact O-N 3.28Å; N482-N484 PolarHBondContact O-N 2.98Å
483L96.3Very high94.8Very high4 Ų444.5 Ų44.52%0.02124%0.24CC..PPolyproline II helixtrans-58.2123.5164.5-60178.3000109.3I466 N470 F473 N487 K488 L491 W546 F554I466-L483 HydrophobicContact CD1-CD1 4.28Å; N470-L483 HydrophobicContact CB-CD1 4.04Å; N470-L483 HydrophobicContact CB-CG 4.33Å; N470-L483 WeakPolarHBondContact OD1-CB 3.43Å; N470-L483 PolarHBondContact OD1-N 3.15Å; F473-L483 HydrophobicContact CD1-CD2 4.38Å; F473-L483 HydrophobicContact CG-CD2 4.44Å; L483-N487 HydrophobicContact CB-CB 4.14Å; L483-N487 HydrophobicContact CD2-CB 4.33Å; L483-K488 HydrophobicContact CB-CG 4.17Å; L483-K488 VanDerWaalsContact O-CE 3.27Å; L483-K488 WeakPolarHBondContact O-CE 3.28Å; L483-L491 HydrophobicContact CD1-CD1 3.86Å; L483-W546 HydrophobicContact CD2-CH2 3.99Å; L483-W546 HydrophobicContact CD2-CZ2 3.97Å; L483-F554 HydrophobicContact CD2-CD2 3.7Å; L483-F554 HydrophobicContact CD2-CE2 3.61Å
484N92.7Very high94.6Very high42 Ų4246 Ų4623%0.22525%0.247CC..PPolyproline II helixtrans-77.2169.4179.171.440.4000111.3N482 Y486 N487 K488N482-N484 PolarHBondContact O-N 2.98Å; N484-Y486 VanDerWaalsContact C-N 3.28Å; N484-Y486 PolarHBondContact O-N 3.36Å; N484-Y486 WeakPolarHBondContact OD1-CA 3.35Å; N484-Y486 WeakPolarHBondContact OD1-CB 3.5Å; N484-Y486 PolarHBondContact OD1-N 3.13Å; N484-N487 VanDerWaalsContact CG-OD1 3.23Å; N484-N487 PolarHBondContact N-OD1 3.47Å; N484-N487 PolarHBondContact ND2-OD1 3.44Å; N484-N487 WeakPolarHBondContact O-CB 3.44Å; N484-N487 PolarHBondContact O-N 2.82Å; N484-N487 VanDerWaalsContact O-N 3.08Å; N484-N487 VanDerWaalsContact OD1-CG 3.25Å; N484-N487 PolarHBondContact OD1-N 3Å; N484-N487 PolarHBondContact OD1-OD1 3.46Å; N484-K488 WeakPolarHBondContact O-CG 3.45Å; N484-K488 PolarHBondContact O-N 3.09Å
485P91.5Very high94.4Very high103 Ų10345.9 Ų45.967%0.66925%0.245SC*.Hα-helixtrans-56-37.4-179.2-28.236.8000114.3K488 H489P485-K488 PolarHBondContact O-N 3Å; P485-H489 WeakPolarHBondContact O-CB 3.39Å; P485-H489 PolarHBondContact O-N 2.87Å
486Y90.5Very high94.2Very high136 Ų13644.7 Ų44.753%0.53323%0.232SC..Hα-helixtrans-65.4-40176.7-60.6-77.6000112N484 H489 F490 F552N484-Y486 VanDerWaalsContact C-N 3.28Å; N484-Y486 PolarHBondContact O-N 3.36Å; N484-Y486 WeakPolarHBondContact OD1-CA 3.35Å; N484-Y486 WeakPolarHBondContact OD1-CB 3.5Å; N484-Y486 PolarHBondContact OD1-N 3.13Å; Y486-H489 PolarHBondContact O-N 2.92Å; Y486-F490 PolarHBondContact O-N 2.83Å; Y486-F552 AromaticContact CD2-CZ 3.98Å; Y486-F552 HydrophobicContact CD2-CZ 3.98Å; Y486-F552 HydrophobicContact CG-CE1 4.35Å; Y486-F552 AromaticContact CG-CZ 3.99Å; Y486-F552 HydrophobicContact CG-CZ 3.99Å
487N95.2Very high93.8Very high1 Ų147.3 Ų47.31%0.00525%0.248CC..Hα-helixtrans-62.4-47.8175-59.3151.5000111.3L483 N484 H489 F490 L491 F552 F554L483-N487 HydrophobicContact CB-CB 4.14Å; L483-N487 HydrophobicContact CD2-CB 4.33Å; N484-N487 VanDerWaalsContact CG-OD1 3.23Å; N484-N487 PolarHBondContact N-OD1 3.47Å; N484-N487 PolarHBondContact ND2-OD1 3.44Å; N484-N487 WeakPolarHBondContact O-CB 3.44Å; N484-N487 PolarHBondContact O-N 2.82Å; N484-N487 VanDerWaalsContact O-N 3.08Å; N484-N487 VanDerWaalsContact OD1-CG 3.25Å; N484-N487 PolarHBondContact OD1-N 3Å; N484-N487 PolarHBondContact OD1-OD1 3.46Å; N487-H489 VanDerWaalsContact C-N 3.3Å; N487-H489 PolarHBondContact O-N 2.83Å; N487-F490 PolarHBondContact O-N 2.93Å; N487-L491 VanDerWaalsContact O-CG 3.22Å; N487-L491 WeakPolarHBondContact O-CG 3.47Å; N487-L491 PolarHBondContact O-N 3.2Å; N487-F552 PolarHBondContact ND2-O 2.73Å; N487-F554 WeakPolarHBondContact CA-O 3.41Å; N487-F554 HydrophobicContact CB-CB 3.89Å; N487-F554 HydrophobicContact CB-CD2 4.2Å; N487-F554 PolarHBondContact ND2-N 2.84Å; N487-F554 PolarHBondContact ND2-O 2.75Å
488K94.4Very high93.1Very high75 Ų7551.6 Ų51.633%0.32627%0.268SS..Hα-helixtrans-60.3-42.2179.1-66.1-175.3-178.9-1780111.7I466 L483 N484 P485 A492I466-K488 HydrophobicContact CD1-CB 4.23Å; I466-K488 HydrophobicContact CD1-CG 4.05Å; I466-K488 HydrophobicContact CG1-CB 3.81Å; I466-K488 HydrophobicContact CG1-CD 4.05Å; I466-K488 HydrophobicContact CG1-CG 3.62Å; L483-K488 HydrophobicContact CB-CG 4.17Å; L483-K488 VanDerWaalsContact O-CE 3.27Å; L483-K488 WeakPolarHBondContact O-CE 3.28Å; N484-K488 WeakPolarHBondContact O-CG 3.45Å; N484-K488 PolarHBondContact O-N 3.09Å; P485-K488 PolarHBondContact O-N 3Å; K488-A492 PolarHBondContact O-N 2.98Å
489H90.8Very high91.6Very high33 Ų3353.8 Ų53.815%0.15328%0.275CS..Hα-helixtrans-63.8-49.1176.5-177.982.5000112P485 Y486 N487 L491 A492 Q493 Y501 A502P485-H489 WeakPolarHBondContact O-CB 3.39Å; P485-H489 PolarHBondContact O-N 2.87Å; Y486-H489 PolarHBondContact O-N 2.92Å; N487-H489 VanDerWaalsContact C-N 3.3Å; N487-H489 PolarHBondContact O-N 2.83Å; H489-L491 VanDerWaalsContact C-N 3.3Å; H489-L491 PolarHBondContact O-N 2.96Å; H489-A492 WeakPolarHBondContact O-CA 3.32Å; H489-A492 VanDerWaalsContact O-CB 3.24Å; H489-A492 WeakPolarHBondContact O-CB 3.43Å; H489-A492 PolarHBondContact O-N 2.94Å; H489-Q493 VanDerWaalsContact NE2-CD 3.35Å; H489-Q493 PolarHBondContact NE2-NE2 3.22Å; H489-Q493 PolarHBondContact O-N 3.32Å; H489-Y501 AromaticContact CD2-CD2 3.96Å; H489-Y501 AromaticContact CD2-CE2 3.95Å; H489-Y501 AromaticContact CE1-CD2 3.5Å; H489-Y501 VanDerWaalsContact CE1-CD2 3.5Å; H489-Y501 WeakPolarHBondContact CE1-CD2 3.21Å; H489-Y501 AromaticContact CE1-CE2 3.66Å; H489-Y501 AromaticContact NE2-CD2 3.23Å; H489-Y501 WeakPolarHBondContact NE2-CD2 3.47Å; H489-Y501 AromaticContact NE2-CE2 3.61Å; H489-A502 PolarHBondContact CE1-O 3.15Å
490F93.3Very high90.2Very high19 Ų1960.9 Ų60.98%0.08331%0.307CS..Hα-helixtrans-60.4-39.8178.7174.3-101.3000112.7Y486 N487 A492 Q493 K494 W530 F554 D578Y486-F490 PolarHBondContact O-N 2.83Å; N487-F490 PolarHBondContact O-N 2.93Å; F490-A492 PolarHBondContact O-N 2.89Å; F490-Q493 PolarHBondContact O-N 2.82Å; F490-K494 HydrophobicContact CE1-CD 3.99Å; F490-K494 HydrophobicContact CZ-CD 4.09Å; F490-K494 WeakPolarHBondContact O-CB 3.32Å; F490-K494 PolarHBondContact O-N 3.4Å; F490-W530 HydrophobicContact CD1-CH2 4.33Å; F490-W530 AromaticContact CE1-CH2 3.72Å; F490-W530 HydrophobicContact CE1-CH2 3.72Å; F490-W530 AromaticContact CE1-CZ2 3.88Å; F490-W530 HydrophobicContact CE1-CZ2 3.88Å; F490-F554 HydrophobicContact CD1-CB 3.84Å; F490-D578 HydrophobicContact CZ-CB 4.46Å
491L95.5Very high88.8Confident0 Ų060 Ų600%029%0.293CS..Hα-helixtrans-61.5-36.2176.3-69.9169.1000111.5W462 I466 L483 N487 H489 K494 I495 F527 W530 F531 F554W462-L491 HydrophobicContact CH2-CB 3.85Å; W462-L491 HydrophobicContact CZ2-CB 3.77Å; I466-L491 HydrophobicContact CD1-CB 4.16Å; I466-L491 HydrophobicContact CD1-CD1 3.59Å; L483-L491 HydrophobicContact CD1-CD1 3.86Å; N487-L491 VanDerWaalsContact O-CG 3.22Å; N487-L491 WeakPolarHBondContact O-CG 3.47Å; N487-L491 PolarHBondContact O-N 3.2Å; H489-L491 VanDerWaalsContact C-N 3.3Å; H489-L491 PolarHBondContact O-N 2.96Å; L491-K494 PolarHBondContact O-N 3.47Å; L491-I495 PolarHBondContact O-N 3.3Å; L491-I495 VanDerWaalsContact O-N 3.07Å; L491-F527 HydrophobicContact CB-CZ 4.46Å; L491-F527 HydrophobicContact CD2-CE2 4.24Å; L491-F527 HydrophobicContact CD2-CZ 4Å; L491-W530 HydrophobicContact CD2-CH2 3.58Å; L491-W530 HydrophobicContact CD2-CZ3 3.44Å; L491-W530 VanDerWaalsContact CD2-CZ3 3.44Å; L491-F531 HydrophobicContact CD1-CE2 3.97Å; L491-F531 HydrophobicContact CD2-CD2 3.8Å; L491-F531 HydrophobicContact CD2-CE2 4.07Å; L491-F554 HydrophobicContact CD1-CD2 4.41Å; L491-F554 HydrophobicContact CD1-CG 4.41Å; L491-F554 HydrophobicContact CD2-CD1 3.81Å; L491-F554 HydrophobicContact CD2-CE1 4.13Å; L491-F554 HydrophobicContact CD2-CG 4.11Å; L491-F554 HydrophobicContact CG-CB 4.33Å; L491-F554 HydrophobicContact CG-CD1 4.46Å; L491-F554 HydrophobicContact CG-CG 4.28Å
492A93.9Very high87.3Confident2 Ų258.2 Ų58.22%0.01729%0.289CS..Hα-helixtrans-65.7-50.8175.100000111.2W462 K488 H489 F490 K494 I495 F496 L505W462-A492 HydrophobicContact CD2-CB 4.34Å; W462-A492 VanDerWaalsContact CZ2-CA 3.48Å; W462-A492 HydrophobicContact CZ2-CB 3.78Å; W462-A492 VanDerWaalsContact NE1-CB 3.29Å; K488-A492 PolarHBondContact O-N 2.98Å; H489-A492 WeakPolarHBondContact O-CA 3.32Å; H489-A492 VanDerWaalsContact O-CB 3.24Å; H489-A492 WeakPolarHBondContact O-CB 3.43Å; H489-A492 PolarHBondContact O-N 2.94Å; F490-A492 PolarHBondContact O-N 2.89Å; A492-K494 PolarHBondContact O-N 2.82Å; A492-I495 WeakPolarHBondContact O-CG2 3.4Å; A492-I495 PolarHBondContact O-N 3.24Å; A492-F496 HydrophobicContact CB-CD2 4.37Å; A492-F496 HydrophobicContact CB-CE2 4.48Å; A492-F496 WeakPolarHBondContact O-CD2 3.41Å; A492-F496 PolarHBondContact O-N 3.41Å; A492-L505 HydrophobicContact CB-CB 4.23Å; A492-L505 HydrophobicContact CB-CD1 3.56Å
493Q91.1Very high85.9Confident16 Ų1661 Ų618%0.07530%0.304CS..Hα-helixtrans-54.6-42.2176.5-68-168.8-54.300111.6H489 F490 D497 Q498 P499 E500 H559H489-Q493 VanDerWaalsContact NE2-CD 3.35Å; H489-Q493 PolarHBondContact NE2-NE2 3.22Å; H489-Q493 PolarHBondContact O-N 3.32Å; F490-Q493 PolarHBondContact O-N 2.82Å; Q493-D497 WeakPolarHBondContact O-CA 3.25Å; Q493-D497 PolarHBondContact O-N 2.96Å; Q493-Q498 VanDerWaalsContact CB-O 3.3Å; Q493-Q498 WeakPolarHBondContact CB-O 3.1Å; Q493-Q498 WeakPolarHBondContact CG-O 3.43Å; Q493-Q498 PolarHBondContact O-N 3.07Å; Q493-P499 PolarHBondContact NE2-O 3.28Å; Q493-E500 PolarHBondContact NE2-O 2.81Å; Q493-H559 PolarHBondContact OE1-CE1 3.1Å
494K92.9Very high85.1Confident31 Ų3166 Ų6614%0.13533%0.331CS..Hα-helixtrans-70.7-37.9-177.4-168.4172.3-178.261.80113.5F490 L491 A492 L520 F527 W530 D578F490-K494 HydrophobicContact CE1-CD 3.99Å; F490-K494 HydrophobicContact CZ-CD 4.09Å; F490-K494 WeakPolarHBondContact O-CB 3.32Å; F490-K494 PolarHBondContact O-N 3.4Å; L491-K494 PolarHBondContact O-N 3.47Å; A492-K494 PolarHBondContact O-N 2.82Å; K494-L520 HydrophobicContact CD-CD1 4.45Å; K494-L520 HydrophobicContact CG-CD1 4.37Å; K494-L520 HydrophobicContact CG-CD2 4.37Å; K494-L520 WeakPolarHBondContact O-CD2 3.21Å; K494-F527 HydrophobicContact CB-CE2 4.49Å; K494-W530 HydrophobicContact CD-CD2 4.01Å; K494-W530 HydrophobicContact CD-CE3 3.75Å; K494-W530 HydrophobicContact CD-CH2 3.43Å; K494-W530 VanDerWaalsContact CD-CH2 3.43Å; K494-W530 HydrophobicContact CD-CZ2 3.72Å; K494-W530 HydrophobicContact CD-CZ3 3.47Å; K494-W530 VanDerWaalsContact CD-CZ3 3.47Å; K494-D578 PolarHBondContact NZ-O 2.92Å
495I94.5Very high84.7Confident11 Ų1164.8 Ų64.86%0.05633%0.325CS..Hα-helixtrans-78.7-31-179.6-160.3163.7000112.5W462 L491 A492 V510 Q514 F527W462-I495 HydrophobicContact CE3-CG2 3.99Å; W462-I495 HydrophobicContact CH2-CG2 4.06Å; W462-I495 HydrophobicContact CZ3-CB 4.44Å; W462-I495 HydrophobicContact CZ3-CD1 4.06Å; W462-I495 HydrophobicContact CZ3-CG2 3.65Å; L491-I495 PolarHBondContact O-N 3.3Å; L491-I495 VanDerWaalsContact O-N 3.07Å; A492-I495 WeakPolarHBondContact O-CG2 3.4Å; A492-I495 PolarHBondContact O-N 3.24Å; I495-V510 HydrophobicContact CD1-CB 4.47Å; I495-V510 HydrophobicContact CD1-CG2 3.44Å; I495-V510 VanDerWaalsContact CD1-CG2 3.44Å; I495-V510 HydrophobicContact CG1-CG2 4.15Å; I495-Q514 HydrophobicContact CG1-CB 4.49Å; I495-F527 HydrophobicContact CB-CD2 3.72Å; I495-F527 HydrophobicContact CB-CE2 3.8Å; I495-F527 HydrophobicContact CB-CG 4.28Å; I495-F527 HydrophobicContact CB-CZ 4.42Å; I495-F527 HydrophobicContact CD1-CB 4.43Å; I495-F527 HydrophobicContact CD1-CD1 3.78Å; I495-F527 HydrophobicContact CD1-CD2 4.12Å; I495-F527 HydrophobicContact CD1-CE1 4.01Å; I495-F527 HydrophobicContact CD1-CE2 4.32Å; I495-F527 HydrophobicContact CD1-CG 3.84Å; I495-F527 HydrophobicContact CD1-CZ 4.26Å; I495-F527 HydrophobicContact CG1-CB 4.34Å; I495-F527 HydrophobicContact CG1-CD1 4.42Å; I495-F527 HydrophobicContact CG1-CD2 3.93Å; I495-F527 HydrophobicContact CG1-CE2 4.35Å; I495-F527 HydrophobicContact CG1-CG 3.97Å
496F92.6Very high84.3Confident34 Ų3461.8 Ų61.815%0.14931%0.306CS..Hα-helixtrans-91.4-4179-64.2-57000113.8W462 A492 Q498 L505 V509 V510W462-F496 HydrophobicContact CB-CE2 4.07Å; W462-F496 HydrophobicContact CB-CZ 4.04Å; W462-F496 HydrophobicContact CD2-CE2 4.12Å; W462-F496 HydrophobicContact CE3-CE2 4.34Å; W462-F496 HydrophobicContact CE3-CZ 4.45Å; W462-F496 AromaticContact CG-CE2 3.98Å; W462-F496 HydrophobicContact CG-CE2 3.98Å; W462-F496 HydrophobicContact CG-CZ 4.36Å; A492-F496 HydrophobicContact CB-CD2 4.37Å; A492-F496 HydrophobicContact CB-CE2 4.48Å; A492-F496 WeakPolarHBondContact O-CD2 3.41Å; A492-F496 PolarHBondContact O-N 3.41Å; F496-Q498 HydrophobicContact CB-CB 4.47Å; F496-Q498 HydrophobicContact CB-CG 4.07Å; F496-Q498 PolarHBondContact O-N 3.02Å; F496-L505 HydrophobicContact CD2-CD1 4.23Å; F496-L505 HydrophobicContact CE2-CB 4.47Å; F496-V509 WeakPolarHBondContact CE1-O 3.13Å; F496-V510 HydrophobicContact CE1-CB 4.38Å; F496-V510 HydrophobicContact CZ-CB 4.41Å
497D88.1Confident84.3Confident114 Ų11461.7 Ų61.761%0.6132%0.315SS*.THydrogen-bonded Turntrans52.738.9-173.7-159.632.6000112.5Q493Q493-D497 WeakPolarHBondContact O-CA 3.25Å; Q493-D497 PolarHBondContact O-N 2.96Å
498Q81.5Confident84.2Confident94 Ų9463.6 Ų63.644%0.43933%0.328SS..  trans-106.5110179.9-71.2-164.9-9.300110.4Q493 F496Q493-Q498 VanDerWaalsContact CB-O 3.3Å; Q493-Q498 WeakPolarHBondContact CB-O 3.1Å; Q493-Q498 WeakPolarHBondContact CG-O 3.43Å; Q493-Q498 PolarHBondContact O-N 3.07Å; F496-Q498 HydrophobicContact CB-CB 4.47Å; F496-Q498 HydrophobicContact CB-CG 4.07Å; F496-Q498 PolarHBondContact O-N 3.02Å
499P66.1Low84.2Confident88 Ų8863.3 Ų63.357%0.57133%0.332SS*.  trans-76.6-22.6-17829-33.4000113.2Q493Q493-P499 PolarHBondContact NE2-O 3.28Å
500E67.3Low84.5Confident160 Ų16061.7 Ų61.775%0.74833%0.325SS*.SBendtrans-76.6149.7-177.2-64.7-177.3-17800112.3Q493 A502Q493-E500 PolarHBondContact NE2-O 2.81Å; E500-A502 PolarHBondContact O-N 3.06Å
501Y63.5Low84.7Confident143 Ų14362.8 Ų62.856%0.56133%0.333SS*.  trans-74.192.6172.9-170.2-91.5000109H489 N503 H559H489-Y501 AromaticContact CD2-CD2 3.96Å; H489-Y501 AromaticContact CD2-CE2 3.95Å; H489-Y501 AromaticContact CE1-CD2 3.5Å; H489-Y501 VanDerWaalsContact CE1-CD2 3.5Å; H489-Y501 WeakPolarHBondContact CE1-CD2 3.21Å; H489-Y501 AromaticContact CE1-CE2 3.66Å; H489-Y501 AromaticContact NE2-CD2 3.23Å; H489-Y501 WeakPolarHBondContact NE2-CD2 3.47Å; H489-Y501 AromaticContact NE2-CE2 3.61Å; Y501-N503 WeakPolarHBondContact CD1-OD1 3.5Å; Y501-N503 WeakPolarHBondContact CE1-OD1 3.33Å; Y501-H559 AromaticContact CD2-NE2 3.59Å
502A64.6Low84.7Confident28 Ų2864 Ų6423%0.23134%0.338CS..  trans-80.3125.7169.300000109.6H489 E500 D504 L505H489-A502 PolarHBondContact CE1-O 3.15Å; E500-A502 PolarHBondContact O-N 3.06Å; A502-D504 VanDerWaalsContact C-N 3.28Å; A502-D504 PolarHBondContact O-N 3.07Å; A502-L505 HydrophobicContact CB-CD1 4.17Å; A502-L505 HydrophobicContact CB-CD2 3.77Å; A502-L505 HydrophobicContact CB-CG 3.84Å
503N67.8Low84.7Confident147 Ų14766.2 Ų66.279%0.78635%0.352SS*.SBendtrans-63.5-29.3-172.7-75.7-22.9000113.6Y501Y501-N503 WeakPolarHBondContact CD1-OD1 3.5Å; Y501-N503 WeakPolarHBondContact CE1-OD1 3.33Å
504D78.6Confident85Confident110 Ų11067.7 Ų67.759%0.58836%0.359SS*.  trans-152.3122172.2-166.2-1.5000111.6A502 S506A502-D504 VanDerWaalsContact C-N 3.28Å; A502-D504 PolarHBondContact O-N 3.07Å; D504-S506 WeakPolarHBondContact OD1-CB 3.4Å; D504-S506 PolarHBondContact OD1-N 3.46Å; D504-S506 PolarHBondContact OD1-OG 3.24Å
505L84.1Confident85.2Confident16 Ų1666.3 Ų66.38%0.08435%0.353CS..  trans-110.28.6176.1-68.2170.4000111.9W462 A492 F496 A502 D507 S508W462-L505 VanDerWaalsContact CB-O 3.27Å; W462-L505 WeakPolarHBondContact CB-O 3.19Å; A492-L505 HydrophobicContact CB-CB 4.23Å; A492-L505 HydrophobicContact CB-CD1 3.56Å; F496-L505 HydrophobicContact CD2-CD1 4.23Å; F496-L505 HydrophobicContact CE2-CB 4.47Å; A502-L505 HydrophobicContact CB-CD1 4.17Å; A502-L505 HydrophobicContact CB-CD2 3.77Å; A502-L505 HydrophobicContact CB-CG 3.84Å; L505-D507 VanDerWaalsContact C-N 3.29Å; L505-D507 PolarHBondContact O-N 2.95Å; L505-S508 WeakPolarHBondContact CD2-OG 3.45Å; L505-S508 WeakPolarHBondContact O-CB 3.49Å; L505-S508 PolarHBondContact O-N 2.69Å; L505-S508 PolarHBondContact O-OG 3.33Å
506S84.7Confident85.2Confident39 Ų3966.3 Ų66.327%0.27335%0.353SS..THydrogen-bonded Turntrans-56.5-40.2-173.1-62.10000113.4W462 K463 D504 S508W462-S506 PolarHBondContact N-O 3.32Å; K463-S506 PolarHBondContact N-O 2.89Å; D504-S506 WeakPolarHBondContact OD1-CB 3.4Å; D504-S506 PolarHBondContact OD1-N 3.46Å; D504-S506 PolarHBondContact OD1-OG 3.24Å; S506-S508 VanDerWaalsContact C-N 3.34Å
507D89.4Confident85.2Confident135 Ų13568.3 Ų68.372%0.72236%0.362SS*.THydrogen-bonded Turntrans-87.4-3.5179.9-64.3-30.9000113.3L505L505-D507 VanDerWaalsContact C-N 3.29Å; L505-D507 PolarHBondContact O-N 2.95Å
508S92.5Very high85.5Confident40 Ų4067.7 Ų67.728%0.2836%0.356SS..  trans-64.2147173-62.20000110.2T461 W462 L505 S506T461-S508 CarbonylContact C-O 3.26Å; T461-S508 WeakPolarHBondContact CA-O 3.43Å; W462-S508 PolarHBondContact N-O 3.33Å; L505-S508 WeakPolarHBondContact CD2-OG 3.45Å; L505-S508 WeakPolarHBondContact O-CB 3.49Å; L505-S508 PolarHBondContact O-N 2.69Å; L505-S508 PolarHBondContact O-OG 3.33Å; S506-S508 VanDerWaalsContact C-N 3.34Å
509V95.4Very high86.2Confident69 Ų6967.5 Ų67.542%0.41836%0.361SS..EExtended strand (participates in β ladder)trans-104.7122.2-172.5177.40000110.2R459 V460 F496R459-V509 HydrophobicContact CB-CG1 3.55Å; R459-V509 HydrophobicContact CG-CG1 3.7Å; V460-V509 CarbonylContact O-C 3.47Å; V460-V509 WeakPolarHBondContact O-CA 3.25Å; F496-V509 WeakPolarHBondContact CE1-O 3.13Å
510V96.5Very high87.5Confident0 Ų064.2 Ų64.20%034%0.338CS..EExtended strand (participates in β ladder)trans-96.4132.8172.457.30000110.1R459 V460 M465 I495 F496 Q514R459-V510 CarbonylContact C-O 3.51Å; R459-V510 WeakPolarHBondContact CA-O 3.34Å; V460-V510 HydrophobicContact CG2-CG1 3.58Å; V460-V510 PolarHBondContact N-O 3.35Å; V460-V510 WeakPolarHBondContact O-CG1 3.46Å; V460-V510 PolarHBondContact O-N 3.28Å; M465-V510 HydrophobicContact CB-CG1 3.8Å; M465-V510 HydrophobicContact CE-CG1 4.16Å; M465-V510 HydrophobicContact CG-CG1 4.1Å; I495-V510 HydrophobicContact CD1-CB 4.47Å; I495-V510 HydrophobicContact CD1-CG2 3.44Å; I495-V510 VanDerWaalsContact CD1-CG2 3.44Å; I495-V510 HydrophobicContact CG1-CG2 4.15Å; F496-V510 HydrophobicContact CE1-CB 4.38Å; F496-V510 HydrophobicContact CZ-CB 4.41Å; V510-Q514 HydrophobicContact CG2-CB 4.4Å
511T96.9Very high88.6Confident42 Ų4259.5 Ų59.526%0.25833%0.327SS..EExtended strand (participates in β ladder)trans-94157.7175.366.20000112.1D458 R459 C513 Q514 F515D458-T511 WeakPolarHBondContact O-CA 3.36Å; R459-T511 HydrophobicContact CB-CG2 4.12Å; T511-C513 PolarHBondContact O-N 3.27Å; T511-Q514 PolarHBondContact O-N 2.87Å; T511-Q514 WeakPolarHBondContact OG1-CG 3.28Å; T511-Q514 PolarHBondContact OG1-N 3.47Å; T511-Q514 PolarHBondContact OG1-OE1 2.97Å; T511-F515 PolarHBondContact O-N 3.25Å; T511-F515 VanDerWaalsContact O-N 3.14Å
512W95.9Very high89.7Confident26 Ų2656.7 Ų56.710%0.09834%0.341CS..Hα-helixtrans-54.5-37.1170.5170.2-121000112.2E395 A438 W442 D458 F515 N516 K517E395-W512 HydrophobicContact CG-CZ2 3.9Å; E395-W512 PolarHBondContact OE2-NE1 3.37Å; A438-W512 HydrophobicContact CB-CH2 3.92Å; A438-W512 HydrophobicContact CB-CZ3 4.25Å; W442-W512 HydrophobicContact CB-CE3 3.94Å; W442-W512 HydrophobicContact CB-CZ3 3.69Å; W442-W512 AromaticContact CD2-CE3 3.57Å; W442-W512 HydrophobicContact CD2-CE3 3.57Å; W442-W512 HydrophobicContact CD2-CZ3 4.19Å; W442-W512 AromaticContact CE3-CE3 3.63Å; W442-W512 HydrophobicContact CE3-CE3 3.63Å; W442-W512 HydrophobicContact CE3-CZ3 4.17Å; W442-W512 AromaticContact CG-CE3 3.7Å; W442-W512 HydrophobicContact CG-CE3 3.7Å; W442-W512 AromaticContact CG-CZ3 4Å; W442-W512 HydrophobicContact CG-CZ3 4Å; W442-W512 HydrophobicContact CH2-CB 4.38Å; W442-W512 HydrophobicContact CZ2-CB 4.09Å; W442-W512 HydrophobicContact CZ3-CE3 4.33Å; D458-W512 PolarHBondContact O-N 2.93Å; W512-F515 AromaticContact CE3-CD1 3.95Å; W512-F515 HydrophobicContact CE3-CD1 3.95Å; W512-F515 AromaticContact CZ3-CD1 3.75Å; W512-F515 HydrophobicContact CZ3-CD1 3.75Å; W512-F515 HydrophobicContact CZ3-CE1 4.14Å; W512-F515 PolarHBondContact O-N 3.23Å; W512-N516 HydrophobicContact CE3-CB 4.44Å; W512-N516 HydrophobicContact CH2-CB 3.92Å; W512-N516 HydrophobicContact CZ2-CB 4.29Å; W512-N516 HydrophobicContact CZ3-CB 4.02Å; W512-N516 PolarHBondContact O-N 2.87Å; W512-N516 VanDerWaalsContact O-N 3.07Å; W512-K517 VanDerWaalsContact NE1-CE 3.35Å
513C94.9Very high91.1Very high47 Ų4759.4 Ų59.432%0.31835%0.345SS..Hα-helixtrans-63.9-49.3179.9-640000111.7T511 F515 N516 K517 E518T511-C513 PolarHBondContact O-N 3.27Å; C513-F515 PolarHBondContact O-N 3.46Å; C513-N516 PolarHBondContact O-N 3.43Å; C513-K517 HydrophobicContact CB-CB 4.35Å; C513-K517 CarbonylContact O-C 3.6Å; C513-K517 WeakPolarHBondContact O-CA 3.43Å; C513-K517 PolarHBondContact O-N 3.48Å; C513-E518 HydrophobicContact CB-CG 4.23Å; C513-E518 VanDerWaalsContact CB-OE1 3.3Å; C513-E518 WeakPolarHBondContact CB-OE1 3.46Å; C513-E518 PolarHBondContact O-N 2.81Å
514Q96.3Very high92.4Very high48 Ų4859.1 Ų59.122%0.22434%0.344CS..Hα-helixtrans-60.8-34.4176.5-71.8166.1-51.200112.7I495 V510 T511 E518I495-Q514 HydrophobicContact CG1-CB 4.49Å; V510-Q514 HydrophobicContact CG2-CB 4.4Å; T511-Q514 PolarHBondContact O-N 2.87Å; T511-Q514 WeakPolarHBondContact OG1-CG 3.28Å; T511-Q514 PolarHBondContact OG1-N 3.47Å; T511-Q514 PolarHBondContact OG1-OE1 2.97Å; Q514-E518 WeakPolarHBondContact CG-OE2 3.46Å
515F96.9Very high93.2Very high1 Ų154.2 Ų54.20%0.00432%0.317CS..Hα-helixtrans-70.7-46.6-179.3-179.7-111.3000113A438 W442 M465 L469 T511 W512 C513 F527 W528A438-F515 HydrophobicContact CB-CE1 4.11Å; W442-F515 HydrophobicContact CE3-CB 4.23Å; W442-F515 AromaticContact CE3-CD1 3.64Å; W442-F515 HydrophobicContact CE3-CD1 3.64Å; W442-F515 HydrophobicContact CE3-CE1 4.16Å; W442-F515 AromaticContact CE3-CG 3.98Å; W442-F515 HydrophobicContact CE3-CG 3.98Å; W442-F515 HydrophobicContact CZ3-CB 3.66Å; W442-F515 AromaticContact CZ3-CD1 3.95Å; W442-F515 HydrophobicContact CZ3-CD1 3.95Å; W442-F515 AromaticContact CZ3-CG 3.8Å; W442-F515 HydrophobicContact CZ3-CG 3.8Å; M465-F515 HydrophobicContact CE-CD2 3.83Å; M465-F515 HydrophobicContact CE-CE2 4.08Å; M465-F515 HydrophobicContact CE-CG 4.19Å; M465-F515 HydrophobicContact SD-CD2 4.11Å; M465-F515 HydrophobicContact SD-CE2 3.9Å; L469-F515 HydrophobicContact CD2-CE2 4.22Å; T511-F515 PolarHBondContact O-N 3.25Å; T511-F515 VanDerWaalsContact O-N 3.14Å; W512-F515 AromaticContact CE3-CD1 3.95Å; W512-F515 HydrophobicContact CE3-CD1 3.95Å; W512-F515 AromaticContact CZ3-CD1 3.75Å; W512-F515 HydrophobicContact CZ3-CD1 3.75Å; W512-F515 HydrophobicContact CZ3-CE1 4.14Å; W512-F515 PolarHBondContact O-N 3.23Å; C513-F515 PolarHBondContact O-N 3.46Å; F515-F527 AromaticContact CD2-CD1 3.94Å; F515-F527 HydrophobicContact CD2-CD1 3.94Å; F515-F527 HydrophobicContact CD2-CE1 4.39Å; F515-F527 HydrophobicContact CE2-CD1 4.21Å; F515-F527 HydrophobicContact CE2-CE1 4.39Å; F515-W528 HydrophobicContact CD1-CB 4.43Å; F515-W528 HydrophobicContact CE1-CB 4.13Å; F515-W528 HydrophobicContact CE1-CD2 4.21Å; F515-W528 HydrophobicContact CE1-CE3 4.23Å; F515-W528 HydrophobicContact CE1-CG 4.17Å; F515-W528 HydrophobicContact CE2-CB 4.2Å; F515-W528 HydrophobicContact CE2-CD2 4.41Å; F515-W528 AromaticContact CE2-CE3 3.77Å; F515-W528 HydrophobicContact CE2-CE3 3.77Å; F515-W528 HydrophobicContact CZ-CB 4.02Å; F515-W528 AromaticContact CZ-CD2 3.72Å; F515-W528 HydrophobicContact CZ-CD2 3.72Å; F515-W528 AromaticContact CZ-CE3 3.3Å; F515-W528 HydrophobicContact CZ-CE3 3.3Å; F515-W528 HydrophobicContact CZ-CG 4.03Å; F515-W528 HydrophobicContact CZ-CZ3 4.06Å; F515-W528 VanDerWaalsContact O-CB 3.28Å; F515-W528 WeakPolarHBondContact O-CB 3.42Å; F515-W528 PolarHBondContact O-N 3.3Å
516N95.7Very high93.8Very high11 Ų1153.8 Ų53.86%0.05932%0.315CS..Hα-helixtrans-143.48.3-167.7-167.454.6000116.6A438 W512 C513 W528A438-N516 HydrophobicContact CB-CB 4.06Å; A438-N516 VanDerWaalsContact CB-ND2 3.28Å; A438-N516 WeakPolarHBondContact CB-ND2 3.41Å; W512-N516 HydrophobicContact CE3-CB 4.44Å; W512-N516 HydrophobicContact CH2-CB 3.92Å; W512-N516 HydrophobicContact CZ2-CB 4.29Å; W512-N516 HydrophobicContact CZ3-CB 4.02Å; W512-N516 PolarHBondContact O-N 2.87Å; W512-N516 VanDerWaalsContact O-N 3.07Å; C513-N516 PolarHBondContact O-N 3.43Å; N516-W528 HydrophobicContact CB-CB 4.25Å
517K92.6Very high94.4Very high76 Ų7652 Ų5233%0.3330%0.302SS..THydrogen-bonded Turntrans-117-45.7174.1-64.2-172.5169.31770113.4E395 W512 C513E395-K517 VanDerWaalsContact CD-NZ 3.35Å; E395-K517 WeakPolarHBondContact OE1-CE 3.15Å; E395-K517 IonicContact OE1-NZ 3.16Å; E395-K517 PolarHBondContact OE1-NZ 3.09Å; E395-K517 WeakPolarHBondContact OE2-CE 3.36Å; E395-K517 IonicContact OE2-NZ 3.35Å; E395-K517 PolarHBondContact OE2-NZ 3.41Å; W512-K517 VanDerWaalsContact NE1-CE 3.35Å; C513-K517 HydrophobicContact CB-CB 4.35Å; C513-K517 CarbonylContact O-C 3.6Å; C513-K517 WeakPolarHBondContact O-CA 3.43Å; C513-K517 PolarHBondContact O-N 3.48Å
518E94.6Very high94.8Very high102 Ų10245.5 Ų45.548%0.47727%0.268SS..SBendtrans-76133.3-178.7-68.1168.8-160.200109.7C513 Q514 T526C513-E518 HydrophobicContact CB-CG 4.23Å; C513-E518 VanDerWaalsContact CB-OE1 3.3Å; C513-E518 WeakPolarHBondContact CB-OE1 3.46Å; C513-E518 PolarHBondContact O-N 2.81Å; Q514-E518 WeakPolarHBondContact CG-OE2 3.46Å; E518-T526 WeakPolarHBondContact O-CA 3.32Å
519V94.8Very high95Very high90 Ų9045.7 Ų45.755%0.54526%0.264SS..BIsolated β-bridgetrans-75.3141.9172.1-65.50000109.1F525V519-F525 WeakPolarHBondContact CA-O 3.16Å
520L94.3Very high95.1Very high18 Ų1842.5 Ų42.59%0.09425%0.245CC..PPolyproline II helixtrans-62.7148.3175.4-68172.7000110.6K494 G522 R523 F525 F527 W530K494-L520 HydrophobicContact CD-CD1 4.45Å; K494-L520 HydrophobicContact CG-CD1 4.37Å; K494-L520 HydrophobicContact CG-CD2 4.37Å; K494-L520 WeakPolarHBondContact O-CD2 3.21Å; L520-G522 PolarHBondContact O-N 2.96Å; L520-R523 HydrophobicContact CB-CB 4.04Å; L520-R523 HydrophobicContact CB-CG 3.96Å; L520-R523 WeakPolarHBondContact O-CA 3.49Å; L520-R523 WeakPolarHBondContact O-CB 3.46Å; L520-R523 PolarHBondContact O-N 2.81Å; L520-F525 HydrophobicContact CD1-CD2 4.13Å; L520-F525 HydrophobicContact CD1-CE2 3.92Å; L520-F525 PolarHBondContact N-O 3.07Å; L520-F527 HydrophobicContact CD2-CB 4.1Å; L520-F527 HydrophobicContact CD2-CD2 4.47Å; L520-W530 HydrophobicContact CD1-CB 4.34Å
521A89.5Confident95.2Very high62 Ų6242.5 Ų42.551%0.51225%0.245SC..THydrogen-bonded Turntrans-52.1125.6179.400000111.7R523A521-R523 VanDerWaalsContact C-N 3.25Å; A521-R523 PolarHBondContact O-N 2.74Å
522G88.3Confident95.3Very high83 Ų8342.4 Ų42.486%0.85624%0.242SC*.THydrogen-bonded Turntrans69.613.4-177.800000115.4L520L520-G522 PolarHBondContact O-N 2.96Å
523R93.5Very high95.3Very high86 Ų8641.5 Ų41.533%0.32524%0.24SC..  trans-123.1168.9-179.7-51.7-59.7168-176.23.3112L520 A521 F525 S579L520-R523 HydrophobicContact CB-CB 4.04Å; L520-R523 HydrophobicContact CB-CG 3.96Å; L520-R523 WeakPolarHBondContact O-CA 3.49Å; L520-R523 WeakPolarHBondContact O-CB 3.46Å; L520-R523 PolarHBondContact O-N 2.81Å; A521-R523 VanDerWaalsContact C-N 3.25Å; A521-R523 PolarHBondContact O-N 2.74Å; R523-F525 HydrophobicContact CB-CD1 4.26Å; R523-F525 HydrophobicContact CB-CD2 4.18Å; R523-F525 HydrophobicContact CB-CE1 4.05Å; R523-F525 HydrophobicContact CB-CE2 3.97Å; R523-F525 HydrophobicContact CB-CG 4.33Å; R523-F525 HydrophobicContact CB-CZ 3.91Å; R523-F525 HydrophobicContact CG-CE1 4.31Å; R523-F525 HydrophobicContact CG-CE2 3.92Å; R523-F525 HydrophobicContact CG-CZ 3.77Å; R523-S579 PolarHBondContact NH1-OG 2.8Å; R523-S579 PolarHBondContact NH2-OG 3.23Å
524N94.5Very high95.5Very high141 Ų14139.4 Ų39.475%0.75423%0.226SC*.SBendtrans-111.617.4176.365.1-18.5000112.7
525F95.4Very high95.6Very high6 Ų637.4 Ų37.43%0.02622%0.217CC..SBendtrans-138.2155.5-177.751.8-106.2000111.2V519 L520 R523 Q529 W530 I581V519-F525 WeakPolarHBondContact CA-O 3.16Å; L520-F525 HydrophobicContact CD1-CD2 4.13Å; L520-F525 HydrophobicContact CD1-CE2 3.92Å; L520-F525 PolarHBondContact N-O 3.07Å; R523-F525 HydrophobicContact CB-CD1 4.26Å; R523-F525 HydrophobicContact CB-CD2 4.18Å; R523-F525 HydrophobicContact CB-CE1 4.05Å; R523-F525 HydrophobicContact CB-CE2 3.97Å; R523-F525 HydrophobicContact CB-CG 4.33Å; R523-F525 HydrophobicContact CB-CZ 3.91Å; R523-F525 HydrophobicContact CG-CE1 4.31Å; R523-F525 HydrophobicContact CG-CE2 3.92Å; R523-F525 HydrophobicContact CG-CZ 3.77Å; F525-Q529 VanDerWaalsContact CA-OE1 3.28Å; F525-Q529 HydrophobicContact CB-CB 4.24Å; F525-W530 HydrophobicContact CD2-CB 3.73Å; F525-W530 HydrophobicContact CE2-CB 3.65Å; F525-W530 AromaticContact CE2-CD1 3.98Å; F525-W530 HydrophobicContact CE2-CG 4.03Å; F525-I581 HydrophobicContact CB-CD1 3.59Å; F525-I581 HydrophobicContact CB-CG1 4.25Å; F525-I581 HydrophobicContact CD1-CD1 3.58Å; F525-I581 HydrophobicContact CD1-CG1 3.48Å; F525-I581 VanDerWaalsContact CD1-CG1 3.48Å; F525-I581 HydrophobicContact CD2-CD1 4.43Å; F525-I581 HydrophobicContact CD2-CG1 4.17Å; F525-I581 HydrophobicContact CE1-CD1 4.35Å; F525-I581 HydrophobicContact CE1-CG1 3.75Å; F525-I581 HydrophobicContact CE2-CG1 4.39Å; F525-I581 HydrophobicContact CG-CD1 3.63Å; F525-I581 HydrophobicContact CG-CG1 3.71Å; F525-I581 HydrophobicContact CZ-CG1 4.19Å
526T96.6Very high95.6Very high8 Ų839 Ų395%0.04923%0.225CC..BIsolated β-bridgetrans-80.8168.7179.868.90000111.6E518 W528 Q529 W530E518-T526 WeakPolarHBondContact O-CA 3.32Å; T526-W528 VanDerWaalsContact C-N 3.34Å; T526-W528 PolarHBondContact O-N 3.29Å; T526-Q529 PolarHBondContact O-N 3.15Å; T526-Q529 WeakPolarHBondContact OG1-CG 3.39Å; T526-Q529 PolarHBondContact OG1-N 2.75Å; T526-W530 PolarHBondContact O-N 3.35Å
527F97.9Very high95.7Very high0 Ų038.6 Ų38.60%022%0.223CC..Hα-helixtrans-56-49.4173.6177.5-89.8000111.7W462 L469 L491 K494 I495 F515 L520 Q529 W530 F531W462-F527 HydrophobicContact CH2-CZ 4.39Å; L469-F527 HydrophobicContact CD1-CE1 3.86Å; L469-F527 HydrophobicContact CD1-CZ 4.06Å; L491-F527 HydrophobicContact CB-CZ 4.46Å; L491-F527 HydrophobicContact CD2-CE2 4.24Å; L491-F527 HydrophobicContact CD2-CZ 4Å; K494-F527 HydrophobicContact CB-CE2 4.49Å; I495-F527 HydrophobicContact CB-CD2 3.72Å; I495-F527 HydrophobicContact CB-CE2 3.8Å; I495-F527 HydrophobicContact CB-CG 4.28Å; I495-F527 HydrophobicContact CB-CZ 4.42Å; I495-F527 HydrophobicContact CD1-CB 4.43Å; I495-F527 HydrophobicContact CD1-CD1 3.78Å; I495-F527 HydrophobicContact CD1-CD2 4.12Å; I495-F527 HydrophobicContact CD1-CE1 4.01Å; I495-F527 HydrophobicContact CD1-CE2 4.32Å; I495-F527 HydrophobicContact CD1-CG 3.84Å; I495-F527 HydrophobicContact CD1-CZ 4.26Å; I495-F527 HydrophobicContact CG1-CB 4.34Å; I495-F527 HydrophobicContact CG1-CD1 4.42Å; I495-F527 HydrophobicContact CG1-CD2 3.93Å; I495-F527 HydrophobicContact CG1-CE2 4.35Å; I495-F527 HydrophobicContact CG1-CG 3.97Å; F515-F527 AromaticContact CD2-CD1 3.94Å; F515-F527 HydrophobicContact CD2-CD1 3.94Å; F515-F527 HydrophobicContact CD2-CE1 4.39Å; F515-F527 HydrophobicContact CE2-CD1 4.21Å; F515-F527 HydrophobicContact CE2-CE1 4.39Å; L520-F527 HydrophobicContact CD2-CB 4.1Å; L520-F527 HydrophobicContact CD2-CD2 4.47Å; F527-Q529 PolarHBondContact O-N 3.31Å; F527-W530 HydrophobicContact CD2-CE3 4.38Å; F527-W530 HydrophobicContact CD2-CZ3 4.44Å; F527-W530 HydrophobicContact CE2-CE3 4.32Å; F527-W530 AromaticContact CE2-CZ3 3.95Å; F527-W530 HydrophobicContact CE2-CZ3 3.95Å; F527-W530 HydrophobicContact CZ-CZ3 4.38Å; F527-W530 PolarHBondContact O-N 2.81Å; F527-F531 HydrophobicContact CE1-CB 4.33Å; F527-F531 PolarHBondContact O-N 3.26Å
528W97.6Very high96Very high0 Ų035 Ų350%021%0.208CC..Hα-helixtrans-61.2-45.1-178.9174.1-111.4000112.8I434 V437 A438 I441 L469 F515 N516 T526 W530 F531 E532 M535I434-W528 PolarHBondContact O-NE1 3.05Å; V437-W528 HydrophobicContact CG1-CZ2 3.94Å; A438-W528 HydrophobicContact CB-CD2 4.32Å; A438-W528 HydrophobicContact CB-CG 3.86Å; I441-W528 HydrophobicContact CD1-CH2 3.14Å; I441-W528 HydrophobicContact CD1-CZ2 3.41Å; I441-W528 VanDerWaalsContact CD1-CZ2 3.41Å; I441-W528 HydrophobicContact CD1-CZ3 3.95Å; L469-W528 HydrophobicContact CD2-CE3 4.5Å; L469-W528 HydrophobicContact CD2-CZ3 4.17Å; F515-W528 HydrophobicContact CD1-CB 4.43Å; F515-W528 HydrophobicContact CE1-CB 4.13Å; F515-W528 HydrophobicContact CE1-CD2 4.21Å; F515-W528 HydrophobicContact CE1-CE3 4.23Å; F515-W528 HydrophobicContact CE1-CG 4.17Å; F515-W528 HydrophobicContact CE2-CB 4.2Å; F515-W528 HydrophobicContact CE2-CD2 4.41Å; F515-W528 AromaticContact CE2-CE3 3.77Å; F515-W528 HydrophobicContact CE2-CE3 3.77Å; F515-W528 HydrophobicContact CZ-CB 4.02Å; F515-W528 AromaticContact CZ-CD2 3.72Å; F515-W528 HydrophobicContact CZ-CD2 3.72Å; F515-W528 AromaticContact CZ-CE3 3.3Å; F515-W528 HydrophobicContact CZ-CE3 3.3Å; F515-W528 HydrophobicContact CZ-CG 4.03Å; F515-W528 HydrophobicContact CZ-CZ3 4.06Å; F515-W528 VanDerWaalsContact O-CB 3.28Å; F515-W528 WeakPolarHBondContact O-CB 3.42Å; F515-W528 PolarHBondContact O-N 3.3Å; N516-W528 HydrophobicContact CB-CB 4.25Å; T526-W528 VanDerWaalsContact C-N 3.34Å; T526-W528 PolarHBondContact O-N 3.29Å; W528-W530 VanDerWaalsContact C-N 3.26Å; W528-W530 PolarHBondContact O-N 3.11Å; W528-F531 HydrophobicContact CE3-CD1 4.3Å; W528-F531 AromaticContact CZ3-CD1 3.88Å; W528-F531 HydrophobicContact CZ3-CD1 3.88Å; W528-F531 HydrophobicContact CZ3-CE1 4.45Å; W528-F531 PolarHBondContact O-N 2.79Å; W528-E532 HydrophobicContact CD2-CB 4.46Å; W528-E532 HydrophobicContact CH2-CB 4.49Å; W528-E532 HydrophobicContact CZ2-CB 4.07Å; W528-E532 HydrophobicContact CZ2-CG 4.06Å; W528-E532 VanDerWaalsContact O-CB 3.25Å; W528-E532 WeakPolarHBondContact O-CB 3.25Å; W528-E532 PolarHBondContact O-N 3.04Å; W528-M535 HydrophobicContact CH2-CE 4.07Å
529Q97.5Very high96.2Very high44 Ų4434.6 Ų34.621%0.20620%0.204CC..Hα-helixtrans-58.7-39.8178.2-73170-14.900112.3I434 N435 F525 T526 F527 G533I434-Q529 HydrophobicContact CG2-CG 3.91Å; N435-Q529 PolarHBondContact OD1-NE2 2.96Å; F525-Q529 VanDerWaalsContact CA-OE1 3.28Å; F525-Q529 HydrophobicContact CB-CB 4.24Å; T526-Q529 PolarHBondContact O-N 3.15Å; T526-Q529 WeakPolarHBondContact OG1-CG 3.39Å; T526-Q529 PolarHBondContact OG1-N 2.75Å; F527-Q529 PolarHBondContact O-N 3.31Å; Q529-G533 PolarHBondContact O-N 2.87Å; Q529-G533 VanDerWaalsContact O-N 3.1Å
530W97.8Very high96.3Very high2 Ų234.5 Ų34.51%0.00820%0.197CC..Hα-helixtrans-68.5-46.4176.4166.978.8000112.4F490 L491 K494 L520 F525 T526 F527 W528 G533 A534 F554 S577F490-W530 HydrophobicContact CD1-CH2 4.33Å; F490-W530 AromaticContact CE1-CH2 3.72Å; F490-W530 HydrophobicContact CE1-CH2 3.72Å; F490-W530 AromaticContact CE1-CZ2 3.88Å; F490-W530 HydrophobicContact CE1-CZ2 3.88Å; L491-W530 HydrophobicContact CD2-CH2 3.58Å; L491-W530 HydrophobicContact CD2-CZ3 3.44Å; L491-W530 VanDerWaalsContact CD2-CZ3 3.44Å; K494-W530 HydrophobicContact CD-CD2 4.01Å; K494-W530 HydrophobicContact CD-CE3 3.75Å; K494-W530 HydrophobicContact CD-CH2 3.43Å; K494-W530 VanDerWaalsContact CD-CH2 3.43Å; K494-W530 HydrophobicContact CD-CZ2 3.72Å; K494-W530 HydrophobicContact CD-CZ3 3.47Å; K494-W530 VanDerWaalsContact CD-CZ3 3.47Å; L520-W530 HydrophobicContact CD1-CB 4.34Å; F525-W530 HydrophobicContact CD2-CB 3.73Å; F525-W530 HydrophobicContact CE2-CB 3.65Å; F525-W530 AromaticContact CE2-CD1 3.98Å; F525-W530 HydrophobicContact CE2-CG 4.03Å; T526-W530 PolarHBondContact O-N 3.35Å; F527-W530 HydrophobicContact CD2-CE3 4.38Å; F527-W530 HydrophobicContact CD2-CZ3 4.44Å; F527-W530 HydrophobicContact CE2-CE3 4.32Å; F527-W530 AromaticContact CE2-CZ3 3.95Å; F527-W530 HydrophobicContact CE2-CZ3 3.95Å; F527-W530 HydrophobicContact CZ-CZ3 4.38Å; F527-W530 PolarHBondContact O-N 2.81Å; W528-W530 VanDerWaalsContact C-N 3.26Å; W528-W530 PolarHBondContact O-N 3.11Å; W530-G533 PolarHBondContact O-N 3Å; W530-A534 PolarHBondContact O-N 2.71Å; W530-A534 VanDerWaalsContact O-N 3.15Å; W530-F554 AromaticContact CH2-CD1 3.46Å; W530-F554 HydrophobicContact CH2-CD1 3.46Å; W530-F554 VanDerWaalsContact CH2-CD1 3.46Å; W530-F554 AromaticContact CH2-CE1 3.71Å; W530-F554 HydrophobicContact CH2-CE1 3.71Å; W530-F554 AromaticContact CZ2-CD1 3.85Å; W530-F554 HydrophobicContact CZ2-CD1 3.85Å; W530-F554 HydrophobicContact CZ2-CE1 4.04Å; W530-F554 HydrophobicContact CZ3-CD1 4.35Å; W530-F554 HydrophobicContact CZ3-CE1 4.28Å; W530-S577 PolarHBondContact NE1-O 3.23Å
531F98.3Very high96.5Very high0 Ų036 Ų360%020%0.203CC..Hα-helixtrans-64.5-43.8179.8-176.2-92.4000111.7L469 F473 L491 F527 W528 G533 A534 M535 F554L469-F531 HydrophobicContact CB-CE1 4.27Å; L469-F531 HydrophobicContact CB-CE2 4.4Å; L469-F531 HydrophobicContact CB-CZ 3.87Å; L469-F531 HydrophobicContact CD2-CD1 3.86Å; L469-F531 HydrophobicContact CD2-CE1 3.7Å; L469-F531 HydrophobicContact CD2-CG 4.37Å; L469-F531 HydrophobicContact CD2-CZ 4.08Å; L469-F531 HydrophobicContact CG-CZ 4.45Å; F473-F531 HydrophobicContact CB-CZ 4.12Å; F473-F531 HydrophobicContact CD2-CE1 4.43Å; F473-F531 AromaticContact CD2-CZ 3.97Å; F473-F531 HydrophobicContact CD2-CZ 3.97Å; F473-F531 HydrophobicContact CG-CZ 4.47Å; L491-F531 HydrophobicContact CD1-CE2 3.97Å; L491-F531 HydrophobicContact CD2-CD2 3.8Å; L491-F531 HydrophobicContact CD2-CE2 4.07Å; F527-F531 HydrophobicContact CE1-CB 4.33Å; F527-F531 PolarHBondContact O-N 3.26Å; W528-F531 HydrophobicContact CE3-CD1 4.3Å; W528-F531 AromaticContact CZ3-CD1 3.88Å; W528-F531 HydrophobicContact CZ3-CD1 3.88Å; W528-F531 HydrophobicContact CZ3-CE1 4.45Å; W528-F531 PolarHBondContact O-N 2.79Å; F531-G533 VanDerWaalsContact C-N 3.34Å; F531-G533 PolarHBondContact O-N 3.23Å; F531-A534 PolarHBondContact O-N 3.33Å; F531-M535 HydrophobicContact CE1-SD 4.43Å; F531-M535 WeakPolarHBondContact O-CB 3.4Å; F531-M535 PolarHBondContact O-N 2.87Å; F531-F554 HydrophobicContact CD2-CE1 4.01Å; F531-F554 AromaticContact CD2-CZ 3.87Å; F531-F554 HydrophobicContact CD2-CZ 3.87Å; F531-F554 HydrophobicContact CE2-CE1 4.21Å; F531-F554 HydrophobicContact CE2-CE2 4.09Å; F531-F554 AromaticContact CE2-CZ 3.66Å; F531-F554 HydrophobicContact CE2-CZ 3.66Å
532E97.6Very high96.9Very high40 Ų4033 Ų3319%0.18718%0.179CC..Hα-helixtrans-59.2-44.8175.3-170.1-76.6150.200110.9I434 W528 A534 M535 D536I434-E532 HydrophobicContact CG2-CB 4.39Å; I434-E532 HydrophobicContact CG2-CG 4.34Å; W528-E532 HydrophobicContact CD2-CB 4.46Å; W528-E532 HydrophobicContact CH2-CB 4.49Å; W528-E532 HydrophobicContact CZ2-CB 4.07Å; W528-E532 HydrophobicContact CZ2-CG 4.06Å; W528-E532 VanDerWaalsContact O-CB 3.25Å; W528-E532 WeakPolarHBondContact O-CB 3.25Å; W528-E532 PolarHBondContact O-N 3.04Å; E532-A534 VanDerWaalsContact C-N 3.32Å; E532-A534 PolarHBondContact O-N 2.95Å; E532-M535 HydrophobicContact CG-CE 4.23Å; E532-M535 CarbonylContact O-C 3.53Å; E532-M535 WeakPolarHBondContact O-CB 3.34Å; E532-M535 PolarHBondContact O-N 3.05Å; E532-M535 VanDerWaalsContact O-N 3.11Å; E532-D536 WeakPolarHBondContact O-CB 3.21Å; E532-D536 PolarHBondContact O-N 3.25Å
533G97.6Very high97.3Very high7 Ų733.1 Ų33.17%0.07216%0.155CC..Hα-helixtrans-59.9-39.2176.500000113.5Q529 W530 F531 L537 G582Q529-G533 PolarHBondContact O-N 2.87Å; Q529-G533 VanDerWaalsContact O-N 3.1Å; W530-G533 PolarHBondContact O-N 3Å; F531-G533 VanDerWaalsContact C-N 3.34Å; F531-G533 PolarHBondContact O-N 3.23Å; G533-L537 WeakPolarHBondContact O-CB 3.2Å; G533-L537 PolarHBondContact O-N 2.84Å; G533-G582 VanDerWaalsContact O-CA 3.3Å; G533-G582 WeakPolarHBondContact O-CA 3.21Å
534A98.2Very high97.5Very high3 Ų332.1 Ų32.13%0.02516%0.16CC..Hα-helixtrans-66.9-41.8174.300000111.9W530 F531 E532 T538 F554 F576W530-A534 PolarHBondContact O-N 2.71Å; W530-A534 VanDerWaalsContact O-N 3.15Å; F531-A534 PolarHBondContact O-N 3.33Å; E532-A534 VanDerWaalsContact C-N 3.32Å; E532-A534 PolarHBondContact O-N 2.95Å; A534-T538 WeakPolarHBondContact O-CB 3.44Å; A534-T538 PolarHBondContact O-N 3.34Å; A534-T538 PolarHBondContact O-OG1 2.89Å; A534-F554 HydrophobicContact CB-CE1 3.89Å; A534-F554 HydrophobicContact CB-CZ 3.98Å; A534-F576 HydrophobicContact CB-CB 4.43Å; A534-F576 HydrophobicContact CB-CD1 4.01Å; A534-F576 HydrophobicContact CB-CD2 4.2Å; A534-F576 HydrophobicContact CB-CE1 4.33Å; A534-F576 HydrophobicContact CB-CG 3.95Å
535M97.9Very high97.7Very high5 Ų526 Ų263%0.02513%0.126CC..Hα-helixtrans-62.8-46176.3-175.7175.461.300111.8K472 F473 E476 V477 W528 F531 E532 T538 K539K472-M535 HydrophobicContact CG-CE 4.45Å; K472-M535 HydrophobicContact CG-SD 4.03Å; F473-M535 HydrophobicContact CD2-CB 3.95Å; F473-M535 HydrophobicContact CD2-CG 3.97Å; F473-M535 HydrophobicContact CE2-CB 4.18Å; F473-M535 HydrophobicContact CE2-CG 4.46Å; E476-M535 HydrophobicContact CB-CE 4.35Å; E476-M535 HydrophobicContact CB-CG 3.93Å; E476-M535 HydrophobicContact CB-SD 3.55Å; E476-M535 VanDerWaalsContact CB-SD 3.55Å; E476-M535 HydrophobicContact CG-CE 3.93Å; E476-M535 HydrophobicContact CG-CG 3.9Å; E476-M535 HydrophobicContact CG-SD 3.73Å; V477-M535 HydrophobicContact CG2-CG 4.33Å; W528-M535 HydrophobicContact CH2-CE 4.07Å; F531-M535 HydrophobicContact CE1-SD 4.43Å; F531-M535 WeakPolarHBondContact O-CB 3.4Å; F531-M535 PolarHBondContact O-N 2.87Å; E532-M535 HydrophobicContact CG-CE 4.23Å; E532-M535 CarbonylContact O-C 3.53Å; E532-M535 WeakPolarHBondContact O-CB 3.34Å; E532-M535 PolarHBondContact O-N 3.05Å; E532-M535 VanDerWaalsContact O-N 3.11Å; M535-T538 WeakPolarHBondContact O-CB 3.35Å; M535-T538 PolarHBondContact O-N 3Å; M535-K539 WeakPolarHBondContact O-CB 3.36Å; M535-K539 PolarHBondContact O-N 3.49Å
536D97.7Very high97.8Very high34 Ų3425.7 Ų25.718%0.18213%0.125CC..Hα-helixtrans-64.9-45178.6-174.459.5000112.3E532 T538 K539 K540E532-D536 WeakPolarHBondContact O-CB 3.21Å; E532-D536 PolarHBondContact O-N 3.25Å; D536-T538 PolarHBondContact O-N 3.07Å; D536-K539 PolarHBondContact O-N 2.7Å; D536-K540 WeakPolarHBondContact O-CB 3.32Å; D536-K540 WeakPolarHBondContact O-CG 3.43Å; D536-K540 PolarHBondContact O-N 3.47Å; D536-K540 WeakPolarHBondContact OD1-CE 3.22Å; D536-K540 IonicContact OD1-NZ 3.73Å; D536-K540 PolarHBondContact OD1-NZ 2.94Å; D536-K540 IonicContact OD2-NZ 2.75Å; D536-K540 PolarHBondContact OD2-NZ 2.87Å
537L98.4Very high97.8Very high3 Ų327.6 Ų27.62%0.01614%0.139CC..Hα-helixtrans-57.5-42.3173.4-171.675.1000110.6G533 K540 H541 L542 G582 I584 R606 L609G533-L537 WeakPolarHBondContact O-CB 3.2Å; G533-L537 PolarHBondContact O-N 2.84Å; L537-K540 PolarHBondContact O-N 3.35Å; L537-H541 PolarHBondContact O-N 3.22Å; L537-L542 HydrophobicContact CD2-CD1 3.67Å; L537-L542 HydrophobicContact CG-CD1 3.92Å; L537-L542 HydrophobicContact CG-CG 4.33Å; L537-L542 PolarHBondContact O-N 2.65Å; L537-G582 WeakPolarHBondContact CD1-O 3.28Å; L537-G582 WeakPolarHBondContact CD2-O 3.47Å; L537-I584 HydrophobicContact CD2-CB 4.03Å; L537-I584 HydrophobicContact CD2-CG2 4.17Å; L537-R606 HydrophobicContact CD1-CB 4.15Å; L537-L609 HydrophobicContact CD1-CD1 3.88Å; L537-L609 HydrophobicContact CG-CD1 4.31Å
538T98.5Very high97.7Very high0 Ų031.1 Ų31.10%016%0.158CC..Iπ-helixtrans-65.2-50.7179.6-54.90000111.4F473 V477 A534 M535 D536 K540 L542 K543 W546 F576F473-T538 HydrophobicContact CE1-CG2 4.43Å; F473-T538 HydrophobicContact CZ-CG2 3.93Å; V477-T538 HydrophobicContact CB-CG2 4.47Å; V477-T538 HydrophobicContact CG1-CG2 3.73Å; V477-T538 HydrophobicContact CG2-CG2 3.81Å; A534-T538 WeakPolarHBondContact O-CB 3.44Å; A534-T538 PolarHBondContact O-N 3.34Å; A534-T538 PolarHBondContact O-OG1 2.89Å; M535-T538 WeakPolarHBondContact O-CB 3.35Å; M535-T538 PolarHBondContact O-N 3Å; D536-T538 PolarHBondContact O-N 3.07Å; T538-K540 VanDerWaalsContact C-N 3.28Å; T538-K540 PolarHBondContact O-N 2.79Å; T538-L542 HydrophobicContact CG2-CB 4.25Å; T538-L542 CarbonylContact O-C 3.59Å; T538-L542 PolarHBondContact O-N 3.46Å; T538-K543 PolarHBondContact O-N 3.39Å; T538-W546 HydrophobicContact CG2-CB 3.91Å; T538-W546 HydrophobicContact CG2-CG 4.15Å; T538-F576 WeakPolarHBondContact OG1-CE1 3.43Å; T538-F576 WeakPolarHBondContact OG1-CZ 3.28Å
539K97.9Very high97.7Very high95 Ų9533.1 Ų33.141%0.41318%0.178SC..Iπ-helixtrans-52.9-45.4177178.1-176.3-174.6175.90112.1E476 V477 M535 D536E476-K539 HydrophobicContact CG-CD 4.25Å; E476-K539 VanDerWaalsContact O-CD 3.32Å; E476-K539 WeakPolarHBondContact O-CD 3.24Å; E476-K539 WeakPolarHBondContact O-CG 2.95Å; E476-K539 IonicContact OE1-NZ 3.93Å; E476-K539 PolarHBondContact OE1-NZ 3.06Å; V477-K539 HydrophobicContact CG2-CB 4.46Å; M535-K539 WeakPolarHBondContact O-CB 3.36Å; M535-K539 PolarHBondContact O-N 3.49Å; D536-K539 PolarHBondContact O-N 2.7Å
540K97.3Very high97.7Very high88 Ų8832 Ų3238%0.38317%0.173SC..Iπ-helixtrans-84-37.4-172.2-71.4172.5175.1152.20114.1D536 L537 T538D536-K540 WeakPolarHBondContact O-CB 3.32Å; D536-K540 WeakPolarHBondContact O-CG 3.43Å; D536-K540 PolarHBondContact O-N 3.47Å; D536-K540 WeakPolarHBondContact OD1-CE 3.22Å; D536-K540 IonicContact OD1-NZ 3.73Å; D536-K540 PolarHBondContact OD1-NZ 2.94Å; D536-K540 IonicContact OD2-NZ 2.75Å; D536-K540 PolarHBondContact OD2-NZ 2.87Å; L537-K540 PolarHBondContact O-N 3.35Å; T538-K540 VanDerWaalsContact C-N 3.28Å; T538-K540 PolarHBondContact O-N 2.79Å
541H97.8Very high97.7Very high49 Ų4932.1 Ų32.123%0.22717%0.174CC..Iπ-helixtrans-128.2-24.7-168.9-59.6-75.8000114.6L537 L609L537-H541 PolarHBondContact O-N 3.22Å; H541-L609 HydrophobicContact CB-CB 4.18Å; H541-L609 HydrophobicContact CB-CD1 3.7Å
542L98.3Very high97.6Very high0 Ų033.7 Ų33.70%018%0.181CC..Iπ-helixtrans-114.9-2.4-168.1-44174.8000115.2L537 T538 Y545 W546 I551 F576 I584 L609 L614L537-L542 HydrophobicContact CD2-CD1 3.67Å; L537-L542 HydrophobicContact CG-CD1 3.92Å; L537-L542 HydrophobicContact CG-CG 4.33Å; L537-L542 PolarHBondContact O-N 2.65Å; T538-L542 HydrophobicContact CG2-CB 4.25Å; T538-L542 CarbonylContact O-C 3.59Å; T538-L542 PolarHBondContact O-N 3.46Å; L542-Y545 PolarHBondContact O-N 2.94Å; L542-Y545 VanDerWaalsContact O-N 3.09Å; L542-W546 PolarHBondContact O-N 3.09Å; L542-I551 HydrophobicContact CB-CD1 3.74Å; L542-I551 HydrophobicContact CD1-CD1 4.14Å; L542-I551 HydrophobicContact CG-CD1 4.38Å; L542-F576 HydrophobicContact CD1-CE1 4Å; L542-I584 HydrophobicContact CD1-CB 3.98Å; L542-I584 HydrophobicContact CD1-CD1 4.22Å; L542-I584 HydrophobicContact CD1-CG1 4.19Å; L542-I584 HydrophobicContact CD1-CG2 4.17Å; L542-I584 HydrophobicContact CD2-CG2 4.45Å; L542-L609 HydrophobicContact CD2-CD1 3.76Å; L542-L609 HydrophobicContact CG-CD1 4.41Å; L542-L614 HydrophobicContact CD2-CB 4.24Å; L542-L614 HydrophobicContact CD2-CD2 3.61Å
543K98Very high97.6Very high85 Ų8531.8 Ų31.837%0.3717%0.172SC..Hα-helixtrans-48.4-48.3-175.2170.2-175-175.3155.20113.8V477 G478 T538 W546 S547V477-K543 HydrophobicContact CG1-CB 4.02Å; V477-K543 HydrophobicContact CG1-CG 4.03Å; V477-K543 VanDerWaalsContact O-CD 3.22Å; V477-K543 WeakPolarHBondContact O-CD 3Å; V477-K543 WeakPolarHBondContact O-CE 3.45Å; V477-K543 PolarHBondContact O-NZ 3.02Å; G478-K543 WeakPolarHBondContact O-CE 3.21Å; G478-K543 PolarHBondContact O-NZ 2.96Å; T538-K543 PolarHBondContact O-N 3.39Å; K543-W546 PolarHBondContact O-N 3.21Å; K543-S547 WeakPolarHBondContact O-CB 3.44Å; K543-S547 PolarHBondContact O-N 3.17Å; K543-S547 PolarHBondContact O-OG 2.75Å
544P97.4Very high97.5Very high64 Ų6431.5 Ų31.542%0.41617%0.169SC..Hα-helixtrans-62.4-47.3179.7-24.336.4000112.1W546 S547 D548 F640P544-W546 VanDerWaalsContact C-N 3.34Å; P544-W546 PolarHBondContact O-N 3.17Å; P544-S547 PolarHBondContact O-N 3.04Å; P544-D548 WeakPolarHBondContact O-CB 3.4Å; P544-D548 VanDerWaalsContact O-CG 3.28Å; P544-D548 PolarHBondContact O-N 2.95Å; P544-D548 VanDerWaalsContact O-OD2 3.08Å; P544-F640 HydrophobicContact CB-CD1 4.46Å; P544-F640 HydrophobicContact CB-CE1 3.55Å; P544-F640 HydrophobicContact CB-CZ 4.21Å
545Y97.8Very high97.3Very high12 Ų1231.5 Ų31.55%0.04717%0.168CC..Hα-helixtrans-61-41.2179.1-51.2-94.1000112.4L542 G549 L550 L614 G615 F637 F640L542-Y545 PolarHBondContact O-N 2.94Å; L542-Y545 VanDerWaalsContact O-N 3.09Å; Y545-G549 PolarHBondContact O-N 3.18Å; Y545-L550 HydrophobicContact CD1-CD1 4.48Å; Y545-L550 WeakPolarHBondContact O-CB 3.43Å; Y545-L550 PolarHBondContact O-N 2.82Å; Y545-L614 HydrophobicContact CD1-CD2 4.43Å; Y545-L614 HydrophobicContact CE1-CB 4.41Å; Y545-L614 HydrophobicContact CE2-CB 4.32Å; Y545-L614 HydrophobicContact CG-CD2 4.47Å; Y545-G615 PolarHBondContact OH-N 2.76Å; Y545-F637 HydrophobicContact CD1-CD1 4.05Å; Y545-F637 AromaticContact CD1-CE1 3.86Å; Y545-F637 HydrophobicContact CD1-CE1 3.86Å; Y545-F637 HydrophobicContact CE1-CD1 4.02Å; Y545-F637 HydrophobicContact CE1-CE1 4.23Å; Y545-F640 HydrophobicContact CD1-CD1 4.41Å; Y545-F640 AromaticContact CD1-CD2 3.77Å; Y545-F640 HydrophobicContact CD1-CD2 3.77Å; Y545-F640 HydrophobicContact CD1-CE1 4.41Å; Y545-F640 AromaticContact CD1-CE2 3.78Å; Y545-F640 HydrophobicContact CD1-CE2 3.78Å; Y545-F640 HydrophobicContact CD1-CG 4.08Å; Y545-F640 HydrophobicContact CD1-CZ 4.05Å; Y545-F640 HydrophobicContact CE1-CB 3.73Å; Y545-F640 AromaticContact CE1-CD1 3.92Å; Y545-F640 HydrophobicContact CE1-CD1 3.92Å; Y545-F640 AromaticContact CE1-CD2 3.45Å; Y545-F640 HydrophobicContact CE1-CD2 3.45Å; Y545-F640 VanDerWaalsContact CE1-CD2 3.45Å; Y545-F640 HydrophobicContact CE1-CE1 4.36Å; Y545-F640 AromaticContact CE1-CE2 3.95Å; Y545-F640 HydrophobicContact CE1-CE2 3.95Å; Y545-F640 AromaticContact CE1-CG 3.41Å; Y545-F640 HydrophobicContact CE1-CG 3.41Å; Y545-F640 VanDerWaalsContact CE1-CG 3.41Å; Y545-F640 HydrophobicContact CE1-CZ 4.33Å; Y545-F640 HydrophobicContact CE2-CD1 4.43Å; Y545-F640 HydrophobicContact CG-CZ 4.41Å; Y545-F640 AromaticContact CZ-CD1 3.93Å; Y545-F640 AromaticContact CZ-CG 3.75Å; Y545-F640 WeakPolarHBondContact OH-CB 3.43Å
546W98.1Very high96.9Very high1 Ų131.6 Ų31.60%0.00417%0.171CC..Hα-helixtrans-64.2-47.6174.5-179.1-88000111.7F473 H481 L483 T538 L542 K543 P544 D548 G549 I551 F576F473-W546 HydrophobicContact CD1-CZ2 4.38Å; F473-W546 AromaticContact CE1-CD2 3.9Å; F473-W546 HydrophobicContact CE1-CD2 3.9Å; F473-W546 AromaticContact CE1-CE2 3.44Å; F473-W546 VanDerWaalsContact CE1-CE2 3.44Å; F473-W546 HydrophobicContact CE1-CE3 4.47Å; F473-W546 HydrophobicContact CE1-CG 4.37Å; F473-W546 HydrophobicContact CE1-CH2 4.27Å; F473-W546 AromaticContact CE1-CZ2 3.66Å; F473-W546 HydrophobicContact CE1-CZ2 3.66Å; F473-W546 AromaticContact CE1-NE1 3.61Å; F473-W546 HydrophobicContact CZ-CD2 4.15Å; F473-W546 HydrophobicContact CZ-CE3 4.31Å; F473-W546 HydrophobicContact CZ-CH2 4.34Å; F473-W546 HydrophobicContact CZ-CZ2 4.17Å; F473-W546 HydrophobicContact CZ-CZ3 4.39Å; H481-W546 AromaticContact CD2-CE2 3.83Å; H481-W546 AromaticContact CD2-NE1 3.58Å; H481-W546 PolarHBondContact CD2-O 2.73Å; H481-W546 PolarHBondContact O-NE1 2.9Å; L483-W546 HydrophobicContact CD2-CH2 3.99Å; L483-W546 HydrophobicContact CD2-CZ2 3.97Å; T538-W546 HydrophobicContact CG2-CB 3.91Å; T538-W546 HydrophobicContact CG2-CG 4.15Å; L542-W546 PolarHBondContact O-N 3.09Å; K543-W546 PolarHBondContact O-N 3.21Å; P544-W546 VanDerWaalsContact C-N 3.34Å; P544-W546 PolarHBondContact O-N 3.17Å; W546-D548 PolarHBondContact O-N 3.36Å; W546-G549 PolarHBondContact O-N 2.64Å; W546-I551 HydrophobicContact CE3-CB 4.09Å; W546-I551 HydrophobicContact CE3-CG2 3.88Å; W546-I551 HydrophobicContact CZ3-CG2 4.07Å; W546-F576 HydrophobicContact CE3-CE2 4.33Å; W546-F576 HydrophobicContact CE3-CZ 4.27Å; W546-F576 AromaticContact CZ3-CE2 3.81Å; W546-F576 HydrophobicContact CZ3-CE2 3.81Å; W546-F576 HydrophobicContact CZ3-CZ 4.21Å
547S97.1Very high96.4Very high48 Ų4834.7 Ų34.734%0.33618%0.182SC..Hα-helixtrans-65.9-28.7-176.6-55.90000112.6T479 K543 P544 G549T479-S547 WeakPolarHBondContact CB-OG 3.2Å; T479-S547 PolarHBondContact OG1-OG 3.04Å; K543-S547 WeakPolarHBondContact O-CB 3.44Å; K543-S547 PolarHBondContact O-N 3.17Å; K543-S547 PolarHBondContact O-OG 2.75Å; P544-S547 PolarHBondContact O-N 3.04Å; S547-G549 VanDerWaalsContact C-N 3.3Å
548D95.9Very high95.8Very high74 Ų7440.6 Ų40.640%0.39621%0.21SC..THydrogen-bonded Turntrans-83.80.6174.1-67.3-47.8000113.8P544 W546 L550 K639 F640P544-D548 WeakPolarHBondContact O-CB 3.4Å; P544-D548 VanDerWaalsContact O-CG 3.28Å; P544-D548 PolarHBondContact O-N 2.95Å; P544-D548 VanDerWaalsContact O-OD2 3.08Å; W546-D548 PolarHBondContact O-N 3.36Å; D548-L550 VanDerWaalsContact C-N 3.29Å; D548-L550 HydrophobicContact CB-CD1 4.12Å; D548-L550 HydrophobicContact CB-CG 3.95Å; D548-L550 PolarHBondContact O-N 3.18Å; D548-K639 IonicContact OD1-NZ 2.69Å; D548-K639 PolarHBondContact OD1-NZ 3.5Å; D548-K639 WeakPolarHBondContact OD2-CE 3.46Å; D548-K639 IonicContact OD2-NZ 3.53Å; D548-K639 PolarHBondContact OD2-NZ 3.17Å; D548-F640 WeakPolarHBondContact OD2-CZ 3.39Å
549G96.2Very high95.3Very high41 Ų4142.1 Ų42.142%0.42322%0.217SC..THydrogen-bonded Turntrans70.121.3-179.400000114.4Y545 W546 S547Y545-G549 PolarHBondContact O-N 3.18Å; W546-G549 PolarHBondContact O-N 2.64Å; S547-G549 VanDerWaalsContact C-N 3.3Å
550L97.3Very high94.9Very high21 Ų2137.7 Ų37.711%0.1120%0.198CC..  trans-84.1-15.4-179.1-58.5175.2000113.1Y545 D548 L627 G636 F637 F640Y545-L550 HydrophobicContact CD1-CD1 4.48Å; Y545-L550 WeakPolarHBondContact O-CB 3.43Å; Y545-L550 PolarHBondContact O-N 2.82Å; D548-L550 VanDerWaalsContact C-N 3.29Å; D548-L550 HydrophobicContact CB-CD1 4.12Å; D548-L550 HydrophobicContact CB-CG 3.95Å; D548-L550 PolarHBondContact O-N 3.18Å; L550-L627 HydrophobicContact CB-CD2 4.12Å; L550-L627 HydrophobicContact CD2-CD2 3.59Å; L550-L627 HydrophobicContact CG-CD2 4.47Å; L550-G636 WeakPolarHBondContact CD1-O 3.16Å; L550-F637 HydrophobicContact CB-CE1 4.36Å; L550-F637 HydrophobicContact CB-CZ 4.21Å; L550-F637 HydrophobicContact CD1-CD1 4.44Å; L550-F637 HydrophobicContact CD1-CE1 4.18Å; L550-F640 HydrophobicContact CD1-CD2 4.41Å; L550-F640 HydrophobicContact CD1-CE2 3.41Å; L550-F640 VanDerWaalsContact CD1-CE2 3.41Å; L550-F640 HydrophobicContact CD1-CZ 4.03Å
551I98.1Very high94.5Very high5 Ų537.5 Ų37.53%0.02620%0.198CC..  trans-104122.2177.2-65.8174.3000108.3L542 W546 G553 L574 F576 I584L542-I551 HydrophobicContact CB-CD1 3.74Å; L542-I551 HydrophobicContact CD1-CD1 4.14Å; L542-I551 HydrophobicContact CG-CD1 4.38Å; W546-I551 HydrophobicContact CE3-CB 4.09Å; W546-I551 HydrophobicContact CE3-CG2 3.88Å; W546-I551 HydrophobicContact CZ3-CG2 4.07Å; I551-G553 VanDerWaalsContact C-N 3.32Å; I551-L574 HydrophobicContact CB-CB 4.4Å; I551-L574 HydrophobicContact CG1-CB 4.09Å; I551-L574 HydrophobicContact CG1-CD1 4.01Å; I551-L574 HydrophobicContact CG2-CB 4.37Å; I551-F576 HydrophobicContact CG2-CZ 4.5Å; I551-I584 HydrophobicContact CG2-CD1 4.14Å
552F96.5Very high94Very high32 Ų3241.1 Ų41.114%0.1422%0.219CC..  trans-68.8-37.6173.3-162.5-75.5000110.6Y486 N487 I555 I563 L573 L574Y486-F552 AromaticContact CD2-CZ 3.98Å; Y486-F552 HydrophobicContact CD2-CZ 3.98Å; Y486-F552 HydrophobicContact CG-CE1 4.35Å; Y486-F552 AromaticContact CG-CZ 3.99Å; Y486-F552 HydrophobicContact CG-CZ 3.99Å; N487-F552 PolarHBondContact ND2-O 2.73Å; F552-I555 HydrophobicContact CD1-CB 3.85Å; F552-I555 HydrophobicContact CD1-CD1 4.03Å; F552-I555 HydrophobicContact CD1-CG2 3.67Å; F552-I555 HydrophobicContact CE1-CB 3.9Å; F552-I555 HydrophobicContact CE1-CD1 3.51Å; F552-I555 HydrophobicContact CE1-CG1 4.2Å; F552-I555 HydrophobicContact CE1-CG2 4.2Å; F552-I555 HydrophobicContact CG-CG2 4.47Å; F552-I555 HydrophobicContact CZ-CD1 3.97Å; F552-I563 HydrophobicContact CE1-CD1 4.49Å; F552-I563 HydrophobicContact CE2-CD1 4.11Å; F552-I563 HydrophobicContact CZ-CD1 3.75Å; F552-L573 HydrophobicContact CB-CB 4.48Å; F552-L573 HydrophobicContact CB-CD1 4.38Å; F552-L574 WeakPolarHBondContact CB-O 3.49Å; F552-L574 PolarHBondContact N-O 3.03Å
553G96.6Very high93.6Very high0 Ų042.8 Ų42.80%023%0.227CC..BIsolated β-bridgetrans92.5-117.6167.600000113.7I551 I555 L574 R575 F576I551-G553 VanDerWaalsContact C-N 3.32Å; G553-I555 PolarHBondContact O-N 3.29Å; G553-L574 PolarHBondContact N-O 2.76Å; G553-L574 VanDerWaalsContact N-O 3.13Å; G553-R575 CarbonylContact O-C 3.12Å; G553-R575 WeakPolarHBondContact O-CA 3.39Å; G553-R575 WeakPolarHBondContact O-CB 3.34Å; G553-F576 PolarHBondContact O-N 2.67Å
554F96.8Very high93.3Very high1 Ų138.8 Ų38.80%0.00421%0.21CC..SBendtrans-82.6103.9-175.6-62.7-76.3000109.9F473 L483 N487 F490 L491 W530 F531 A534 F576F473-F554 HydrophobicContact CD2-CE2 4.35Å; F473-F554 HydrophobicContact CD2-CZ 4.45Å; F473-F554 AromaticContact CE2-CE2 3.96Å; F473-F554 HydrophobicContact CE2-CE2 3.96Å; F473-F554 HydrophobicContact CE2-CZ 4.05Å; F473-F554 HydrophobicContact CZ-CE2 4.44Å; L483-F554 HydrophobicContact CD2-CD2 3.7Å; L483-F554 HydrophobicContact CD2-CE2 3.61Å; N487-F554 WeakPolarHBondContact CA-O 3.41Å; N487-F554 HydrophobicContact CB-CB 3.89Å; N487-F554 HydrophobicContact CB-CD2 4.2Å; N487-F554 PolarHBondContact ND2-N 2.84Å; N487-F554 PolarHBondContact ND2-O 2.75Å; F490-F554 HydrophobicContact CD1-CB 3.84Å; L491-F554 HydrophobicContact CD1-CD2 4.41Å; L491-F554 HydrophobicContact CD1-CG 4.41Å; L491-F554 HydrophobicContact CD2-CD1 3.81Å; L491-F554 HydrophobicContact CD2-CE1 4.13Å; L491-F554 HydrophobicContact CD2-CG 4.11Å; L491-F554 HydrophobicContact CG-CB 4.33Å; L491-F554 HydrophobicContact CG-CD1 4.46Å; L491-F554 HydrophobicContact CG-CG 4.28Å; W530-F554 AromaticContact CH2-CD1 3.46Å; W530-F554 HydrophobicContact CH2-CD1 3.46Å; W530-F554 VanDerWaalsContact CH2-CD1 3.46Å; W530-F554 AromaticContact CH2-CE1 3.71Å; W530-F554 HydrophobicContact CH2-CE1 3.71Å; W530-F554 AromaticContact CZ2-CD1 3.85Å; W530-F554 HydrophobicContact CZ2-CD1 3.85Å; W530-F554 HydrophobicContact CZ2-CE1 4.04Å; W530-F554 HydrophobicContact CZ3-CD1 4.35Å; W530-F554 HydrophobicContact CZ3-CE1 4.28Å; F531-F554 HydrophobicContact CD2-CE1 4.01Å; F531-F554 AromaticContact CD2-CZ 3.87Å; F531-F554 HydrophobicContact CD2-CZ 3.87Å; F531-F554 HydrophobicContact CE2-CE1 4.21Å; F531-F554 HydrophobicContact CE2-CE2 4.09Å; F531-F554 AromaticContact CE2-CZ 3.66Å; F531-F554 HydrophobicContact CE2-CZ 3.66Å; A534-F554 HydrophobicContact CB-CE1 3.89Å; A534-F554 HydrophobicContact CB-CZ 3.98Å; F554-F576 AromaticContact CD1-CD2 3.74Å; F554-F576 HydrophobicContact CD1-CD2 3.74Å; F554-F576 HydrophobicContact CD2-CD2 4.03Å; F554-F576 HydrophobicContact CD2-CE2 4.12Å; F554-F576 AromaticContact CE1-CD2 3.63Å; F554-F576 HydrophobicContact CE1-CD2 3.63Å; F554-F576 HydrophobicContact CE1-CE2 4.23Å; F554-F576 HydrophobicContact CE1-CG 4.37Å; F554-F576 AromaticContact CE2-CD2 3.91Å; F554-F576 HydrophobicContact CE2-CD2 3.91Å; F554-F576 AromaticContact CE2-CE2 3.75Å; F554-F576 HydrophobicContact CE2-CE2 3.75Å; F554-F576 AromaticContact CG-CD2 3.97Å; F554-F576 HydrophobicContact CG-CD2 3.97Å; F554-F576 AromaticContact CZ-CD2 3.73Å; F554-F576 HydrophobicContact CZ-CD2 3.73Å; F554-F576 AromaticContact CZ-CE2 3.83Å; F554-F576 HydrophobicContact CZ-CE2 3.83Å
555I93.9Very high92.7Very high4 Ų442.3 Ų42.32%0.02122%0.218CC..  trans-156.4139.5176.5-173.7171000110.6F552 G553 H559 V560 I563 L573 R575F552-I555 HydrophobicContact CD1-CB 3.85Å; F552-I555 HydrophobicContact CD1-CD1 4.03Å; F552-I555 HydrophobicContact CD1-CG2 3.67Å; F552-I555 HydrophobicContact CE1-CB 3.9Å; F552-I555 HydrophobicContact CE1-CD1 3.51Å; F552-I555 HydrophobicContact CE1-CG1 4.2Å; F552-I555 HydrophobicContact CE1-CG2 4.2Å; F552-I555 HydrophobicContact CG-CG2 4.47Å; F552-I555 HydrophobicContact CZ-CD1 3.97Å; G553-I555 PolarHBondContact O-N 3.29Å; I555-H559 HydrophobicContact CD1-CB 3.81Å; I555-H559 HydrophobicContact CG1-CB 3.68Å; I555-V560 HydrophobicContact CB-CG2 4.43Å; I555-V560 HydrophobicContact CD1-CG2 3.95Å; I555-V560 HydrophobicContact CG1-CG2 3.93Å; I555-V560 HydrophobicContact CG2-CG2 3.75Å; I555-I563 HydrophobicContact CD1-CD1 3.37Å; I555-L573 HydrophobicContact CG2-CD1 4.32Å; I555-R575 HydrophobicContact CG2-CB 3.58Å; I555-R575 HydrophobicContact CG2-CG 4.42Å
556G89.3Confident92.2Very high7 Ų750.4 Ų50.47%0.07226%0.257CS..  trans-84.1157.8-179.500000113Q558 H559 V560G556-Q558 VanDerWaalsContact C-N 3.31Å; G556-Q558 PolarHBondContact O-N 3.19Å; G556-H559 PolarHBondContact O-N 3.28Å; G556-V560 WeakPolarHBondContact O-CG2 3.31Å; G556-V560 PolarHBondContact O-N 2.87Å
557K87.8Confident91.8Very high98 Ų9851.2 Ų51.243%0.42626%0.263SS..Hα-helixtrans-54.9-43-178.4-67.2-178.1-176.6179.80112.9H559 V560 H561K557-H559 PolarHBondContact O-N 3.32Å; K557-V560 WeakPolarHBondContact O-CB 3.44Å; K557-V560 PolarHBondContact O-N 2.91Å; K557-H561 PolarHBondContact O-N 3.01Å; K557-H561 PolarHBondContact O-ND1 3.44Å
558Q85.3Confident91.5Very high127 Ų12752.9 Ų52.959%0.59327%0.272SS*.Hα-helixtrans-61-44.9179.9-68.3172.6-12.600112.2G556 H561 L562G556-Q558 VanDerWaalsContact C-N 3.31Å; G556-Q558 PolarHBondContact O-N 3.19Å; Q558-H561 WeakPolarHBondContact O-CB 3.42Å; Q558-H561 PolarHBondContact O-N 3.21Å; Q558-H561 VanDerWaalsContact O-N 3.12Å; Q558-L562 PolarHBondContact O-N 3.4Å; Q558-L562 VanDerWaalsContact O-N 3.17Å
559H87.3Confident91.4Very high33 Ų3352 Ų5215%0.15327%0.272CS..Hα-helixtrans-67.6-38.2177.3-7494.6000112.6Q493 Y501 I555 G556 K557 H561 L562 I563Q493-H559 PolarHBondContact OE1-CE1 3.1Å; Y501-H559 AromaticContact CD2-NE2 3.59Å; I555-H559 HydrophobicContact CD1-CB 3.81Å; I555-H559 HydrophobicContact CG1-CB 3.68Å; G556-H559 PolarHBondContact O-N 3.28Å; K557-H559 PolarHBondContact O-N 3.32Å; H559-H561 PolarHBondContact O-N 3.47Å; H559-L562 PolarHBondContact O-N 3.1Å; H559-I563 WeakPolarHBondContact O-CG1 3.4Å; H559-I563 PolarHBondContact O-N 3.46Å
560V90.4Very high91.2Very high1 Ų150.1 Ų50.11%0.00625%0.253CS..Hα-helixtrans-57.7-40.2171.11730000110.6I555 G556 K557 L562 I563 L564 L573 A587 I598I555-V560 HydrophobicContact CB-CG2 4.43Å; I555-V560 HydrophobicContact CD1-CG2 3.95Å; I555-V560 HydrophobicContact CG1-CG2 3.93Å; I555-V560 HydrophobicContact CG2-CG2 3.75Å; G556-V560 WeakPolarHBondContact O-CG2 3.31Å; G556-V560 PolarHBondContact O-N 2.87Å; K557-V560 WeakPolarHBondContact O-CB 3.44Å; K557-V560 PolarHBondContact O-N 2.91Å; V560-L562 VanDerWaalsContact C-N 3.34Å; V560-L562 PolarHBondContact O-N 3.47Å; V560-I563 PolarHBondContact O-N 3.24Å; V560-L564 HydrophobicContact CG1-CD1 3.81Å; V560-L564 HydrophobicContact CG1-CG 4.35Å; V560-L564 WeakPolarHBondContact O-CB 3.26Å; V560-L564 PolarHBondContact O-N 2.87Å; V560-L573 HydrophobicContact CG1-CD2 4.16Å; V560-L573 HydrophobicContact CG1-CG 4.48Å; V560-L573 HydrophobicContact CG2-CD1 4.13Å; V560-L573 HydrophobicContact CG2-CD2 4.34Å; V560-A587 HydrophobicContact CG1-CB 3.64Å; V560-I598 HydrophobicContact CG1-CG2 4.18Å
561H88Confident91.2Very high84 Ų8449.2 Ų49.239%0.38925%0.248SC..Hα-helixtrans-59.8-44.9176.7-76.874.7000112.3K557 Q558 H559 K565 I598K557-H561 PolarHBondContact O-N 3.01Å; K557-H561 PolarHBondContact O-ND1 3.44Å; Q558-H561 WeakPolarHBondContact O-CB 3.42Å; Q558-H561 PolarHBondContact O-N 3.21Å; Q558-H561 VanDerWaalsContact O-N 3.12Å; H559-H561 PolarHBondContact O-N 3.47Å; H561-K565 VanDerWaalsContact O-CB 3.3Å; H561-K565 WeakPolarHBondContact O-CB 3.19Å; H561-K565 PolarHBondContact O-N 3.09Å; H561-I598 VanDerWaalsContact CA-CD1 3.42Å; H561-I598 HydrophobicContact CB-CD1 4.05Å
562L87.8Confident91.2Very high126 Ų12649 Ų4966%0.6625%0.247SC*.Hα-helixtrans-64.9-43.2177.9-63.9172.8000112.5Q558 H559 V560Q558-L562 PolarHBondContact O-N 3.4Å; Q558-L562 VanDerWaalsContact O-N 3.17Å; H559-L562 PolarHBondContact O-N 3.1Å; V560-L562 VanDerWaalsContact C-N 3.34Å; V560-L562 PolarHBondContact O-N 3.47Å
563I89.9Confident91.2Very high35 Ų3547.6 Ų47.618%0.17924%0.241CC..Hα-helixtrans-68.3-39.7-177.2-68.6177000111.9F552 I555 H559 V560 Y628F552-I563 HydrophobicContact CE1-CD1 4.49Å; F552-I563 HydrophobicContact CE2-CD1 4.11Å; F552-I563 HydrophobicContact CZ-CD1 3.75Å; I555-I563 HydrophobicContact CD1-CD1 3.37Å; H559-I563 WeakPolarHBondContact O-CG1 3.4Å; H559-I563 PolarHBondContact O-N 3.46Å; V560-I563 PolarHBondContact O-N 3.24Å; I563-Y628 HydrophobicContact CG2-CD1 4.25Å; I563-Y628 HydrophobicContact CG2-CD2 3.87Å; I563-Y628 HydrophobicContact CG2-CE1 3.81Å; I563-Y628 HydrophobicContact CG2-CE2 3.39Å; I563-Y628 HydrophobicContact CG2-CG 4.29Å
564L90.9Very high91.3Very high0 Ų047.6 Ų47.60%024%0.241CC..Hα-helixtrans-92.5-8.6-175.7-66.7-177000113.8V560 E566 S567 T571 L573 V589 I598 Y628V560-L564 HydrophobicContact CG1-CD1 3.81Å; V560-L564 HydrophobicContact CG1-CG 4.35Å; V560-L564 WeakPolarHBondContact O-CB 3.26Å; V560-L564 PolarHBondContact O-N 2.87Å; L564-E566 VanDerWaalsContact C-N 3.27Å; L564-E566 PolarHBondContact O-N 3.25Å; L564-E566 VanDerWaalsContact O-N 3.15Å; L564-S567 WeakPolarHBondContact O-CB 3.29Å; L564-S567 PolarHBondContact O-N 2.83Å; L564-T571 HydrophobicContact CD2-CG2 4.02Å; L564-L573 HydrophobicContact CD1-CD2 4.06Å; L564-L573 HydrophobicContact CD1-CG 4.22Å; L564-L573 HydrophobicContact CD2-CD2 4.24Å; L564-L573 HydrophobicContact CG-CD2 4.05Å; L564-V589 HydrophobicContact CB-CG2 3.75Å; L564-V589 HydrophobicContact CD1-CG2 4.41Å; L564-V589 HydrophobicContact CG-CG2 4.48Å; L564-V589 WeakPolarHBondContact O-CG2 3.33Å; L564-I598 HydrophobicContact CB-CD1 3.76Å; L564-I598 HydrophobicContact CB-CG1 4.33Å; L564-Y628 HydrophobicContact CD2-CD2 3.82Å; L564-Y628 HydrophobicContact CD2-CG 4.33Å
565K85.8Confident91.3Very high138 Ų13847.8 Ų47.860%0.624%0.241SC*.THydrogen-bonded Turntrans-50.4-43.2-174.7-173.2179.5177.9-1740113.8H561H561-K565 VanDerWaalsContact O-CB 3.3Å; H561-K565 WeakPolarHBondContact O-CB 3.19Å; H561-K565 PolarHBondContact O-N 3.09Å
566E86.5Confident91.5Very high183 Ų18347.8 Ų47.886%0.85524%0.241SC*.THydrogen-bonded Turntrans-101.38.2-176.6-59.2-171.4165.500112.8L564L564-E566 VanDerWaalsContact C-N 3.27Å; L564-E566 PolarHBondContact O-N 3.25Å; L564-E566 VanDerWaalsContact O-N 3.15Å
567S90.8Very high91.8Very high18 Ų1847.6 Ų47.613%0.12624%0.239CC..SBendtrans-82.6148.6-178.9-64.50000111.8L564L564-S567 WeakPolarHBondContact O-CB 3.29Å; L564-S567 PolarHBondContact O-N 2.83Å
568P91.3Very high91.8Very high83 Ų8344.2 Ų44.254%0.53923%0.225SC..PPolyproline II helixtrans-59.3156175.3-23.633.3000113.5G570 T571P568-G570 PolarHBondContact O-N 3.33Å; P568-T571 WeakPolarHBondContact O-CB 3.32Å; P568-T571 PolarHBondContact O-N 3.25Å; P568-T571 PolarHBondContact O-OG1 2.83Å
569S92.7Very high92.1Very high55 Ų5540.2 Ų40.239%0.38521%0.211SC..THydrogen-bonded Turntrans-54.7139.4173.6-155.20000111.9T571 H591S569-T571 PolarHBondContact O-N 2.59Å; S569-H591 WeakPolarHBondContact CB-ND1 3.37Å; S569-H591 PolarHBondContact OG-ND1 3Å
570G92.9Very high92.4Very high2 Ų242 Ų422%0.02122%0.22CC..THydrogen-bonded Turntrans78.52.2-175.800000114.2P568 V589 E623 L625 Y626P568-G570 PolarHBondContact O-N 3.33Å; G570-V589 PolarHBondContact N-O 3.48Å; G570-E623 VanDerWaalsContact CA-O 3.3Å; G570-E623 WeakPolarHBondContact CA-O 3.38Å; G570-L625 PolarHBondContact O-N 3.37Å; G570-Y626 PolarHBondContact O-N 3.29Å; G570-Y626 VanDerWaalsContact O-N 3.17Å
571T96.7Very high92.6Very high2 Ų245.6 Ų45.61%0.01224%0.238CC..EExtended strand (participates in β ladder)trans-70.3130169.5-54.10000109.7L564 P568 S569 Y588 V589 Y626 Y628L564-T571 HydrophobicContact CD2-CG2 4.02Å; P568-T571 WeakPolarHBondContact O-CB 3.32Å; P568-T571 PolarHBondContact O-N 3.25Å; P568-T571 PolarHBondContact O-OG1 2.83Å; S569-T571 PolarHBondContact O-N 2.59Å; T571-Y588 CarbonylContact O-C 3.53Å; T571-Y588 WeakPolarHBondContact O-CA 3.34Å; T571-V589 PolarHBondContact O-N 2.9Å; T571-Y626 CarbonylContact C-O 3.53Å; T571-Y626 WeakPolarHBondContact CA-O 3.38Å; T571-Y628 HydrophobicContact CG2-CD2 4.46Å
572F97.3Very high93Very high0 Ų042.1 Ų42.10%023%0.225CC..EExtended strand (participates in β ladder)trans-134.3159.5-175.875.2-81.3000112.9I586 A587 I618 I624 Y626 L627 Y628 K633 F637F572-I586 HydrophobicContact CB-CG2 3.97Å; F572-I586 HydrophobicContact CD2-CG2 3.89Å; F572-I586 HydrophobicContact CG-CG2 4.29Å; F572-A587 CarbonylContact C-O 3.47Å; F572-A587 WeakPolarHBondContact CA-O 3.07Å; F572-A587 WeakPolarHBondContact CB-O 3.36Å; F572-I618 HydrophobicContact CE2-CG2 4.44Å; F572-I618 HydrophobicContact CZ-CG2 4.14Å; F572-I624 HydrophobicContact CB-CB 4.1Å; F572-I624 HydrophobicContact CB-CG2 3.84Å; F572-I624 HydrophobicContact CD1-CB 3.56Å; F572-I624 HydrophobicContact CD1-CD1 4.39Å; F572-I624 HydrophobicContact CD1-CG1 4.26Å; F572-I624 HydrophobicContact CD1-CG2 4.27Å; F572-I624 HydrophobicContact CD2-CD1 4.19Å; F572-I624 HydrophobicContact CE1-CB 4.04Å; F572-I624 HydrophobicContact CE1-CD1 4.31Å; F572-I624 HydrophobicContact CE1-CG1 4.27Å; F572-I624 HydrophobicContact CE2-CD1 4.11Å; F572-I624 HydrophobicContact CG-CB 3.84Å; F572-I624 HydrophobicContact CG-CD1 4.31Å; F572-I624 HydrophobicContact CG-CG2 4.07Å; F572-I624 HydrophobicContact CZ-CD1 4.17Å; F572-Y626 VanDerWaalsContact CD1-C 3.44Å; F572-Y626 WeakPolarHBondContact CD1-O 3.3Å; F572-Y626 VanDerWaalsContact CE1-C 3.49Å; F572-Y626 PolarHBondContact N-O 2.94Å; F572-L627 HydrophobicContact CD2-CD1 4.14Å; F572-L627 HydrophobicContact CE1-CB 4.09Å; F572-L627 HydrophobicContact CE2-CB 4.45Å; F572-L627 HydrophobicContact CE2-CD1 3.78Å; F572-L627 HydrophobicContact CZ-CB 3.97Å; F572-L627 HydrophobicContact CZ-CD1 4.15Å; F572-L627 CarbonylContact O-C 3.57Å; F572-L627 WeakPolarHBondContact O-CA 3.4Å; F572-Y628 PolarHBondContact O-N 3.25Å; F572-K633 HydrophobicContact CE1-CB 4.3Å; F572-F637 HydrophobicContact CE2-CE2 4.05Å; F572-F637 HydrophobicContact CE2-CZ 4.3Å; F572-F637 HydrophobicContact CZ-CD2 4.34Å; F572-F637 AromaticContact CZ-CE2 3.67Å; F572-F637 HydrophobicContact CZ-CE2 3.67Å; F572-F637 HydrophobicContact CZ-CZ 4.36Å
573L96.8Very high93.4Very high2 Ų236.2 Ų36.21%0.0120%0.195CC..EExtended strand (participates in β ladder)trans-136.6155.4168.666.981000111.2F552 I555 V560 L564 R575 I586 A587F552-L573 HydrophobicContact CB-CB 4.48Å; F552-L573 HydrophobicContact CB-CD1 4.38Å; I555-L573 HydrophobicContact CG2-CD1 4.32Å; V560-L573 HydrophobicContact CG1-CD2 4.16Å; V560-L573 HydrophobicContact CG1-CG 4.48Å; V560-L573 HydrophobicContact CG2-CD1 4.13Å; V560-L573 HydrophobicContact CG2-CD2 4.34Å; L564-L573 HydrophobicContact CD1-CD2 4.06Å; L564-L573 HydrophobicContact CD1-CG 4.22Å; L564-L573 HydrophobicContact CD2-CD2 4.24Å; L564-L573 HydrophobicContact CG-CD2 4.05Å; L573-R575 HydrophobicContact CD1-CB 3.92Å; L573-R575 HydrophobicContact CD1-CG 4.21Å; L573-I586 WeakPolarHBondContact O-CA 3.33Å; L573-A587 HydrophobicContact CD1-CB 4.4Å; L573-A587 PolarHBondContact N-O 3.38Å; L573-A587 PolarHBondContact O-N 2.84Å
574L98Very high93.8Very high1 Ų134.5 Ų34.51%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-101125.5176.1-72.8161.8000109.8I551 F552 G553 I584 I586 L614 I618 F637I551-L574 HydrophobicContact CB-CB 4.4Å; I551-L574 HydrophobicContact CG1-CB 4.09Å; I551-L574 HydrophobicContact CG1-CD1 4.01Å; I551-L574 HydrophobicContact CG2-CB 4.37Å; F552-L574 WeakPolarHBondContact CB-O 3.49Å; F552-L574 PolarHBondContact N-O 3.03Å; G553-L574 PolarHBondContact N-O 2.76Å; G553-L574 VanDerWaalsContact N-O 3.13Å; L574-I584 HydrophobicContact CB-CD1 4.45Å; L574-I584 HydrophobicContact CD2-CG1 4.27Å; L574-I586 HydrophobicContact CD2-CD1 4.25Å; L574-I586 HydrophobicContact CD2-CG1 3.47Å; L574-I586 VanDerWaalsContact CD2-CG1 3.47Å; L574-L614 HydrophobicContact CD1-CD2 4.32Å; L574-L614 HydrophobicContact CD2-CD1 4.32Å; L574-L614 HydrophobicContact CD2-CD2 4.25Å; L574-I618 HydrophobicContact CD1-CD1 3.88Å; L574-I618 HydrophobicContact CD2-CD1 4.16Å; L574-F637 HydrophobicContact CD1-CE1 3.93Å; L574-F637 HydrophobicContact CD1-CZ 3.68Å
575R97.2Very high94.1Very high5 Ų534.7 Ų34.72%0.01919%0.187CC..EExtended strand (participates in β ladder)trans-137.5153.3179.268.9-177.5-174.680.13112.1G553 I555 L573 I584 T585 N600G553-R575 CarbonylContact O-C 3.12Å; G553-R575 WeakPolarHBondContact O-CA 3.39Å; G553-R575 WeakPolarHBondContact O-CB 3.34Å; I555-R575 HydrophobicContact CG2-CB 3.58Å; I555-R575 HydrophobicContact CG2-CG 4.42Å; L573-R575 HydrophobicContact CD1-CB 3.92Å; L573-R575 HydrophobicContact CD1-CG 4.21Å; R575-I584 VanDerWaalsContact O-CD1 3.28Å; R575-I584 WeakPolarHBondContact O-CD1 3.07Å; R575-T585 HydrophobicContact CG-CG2 3.56Å; R575-T585 PolarHBondContact N-O 2.69Å; R575-T585 WeakPolarHBondContact O-CG2 3.3Å; R575-T585 PolarHBondContact O-N 2.84Å; R575-N600 PolarHBondContact NH2-OD1 2.9Å
576F98.1Very high94.6Very high3 Ų328.1 Ų28.11%0.01316%0.158CC..EExtended strand (participates in β ladder)trans-69.8142.5171.1-62.3-59.6000110.4A534 T538 L542 W546 I551 G553 F554 D578 G583 I584A534-F576 HydrophobicContact CB-CB 4.43Å; A534-F576 HydrophobicContact CB-CD1 4.01Å; A534-F576 HydrophobicContact CB-CD2 4.2Å; A534-F576 HydrophobicContact CB-CE1 4.33Å; A534-F576 HydrophobicContact CB-CG 3.95Å; T538-F576 WeakPolarHBondContact OG1-CE1 3.43Å; T538-F576 WeakPolarHBondContact OG1-CZ 3.28Å; L542-F576 HydrophobicContact CD1-CE1 4Å; W546-F576 HydrophobicContact CE3-CE2 4.33Å; W546-F576 HydrophobicContact CE3-CZ 4.27Å; W546-F576 AromaticContact CZ3-CE2 3.81Å; W546-F576 HydrophobicContact CZ3-CE2 3.81Å; W546-F576 HydrophobicContact CZ3-CZ 4.21Å; I551-F576 HydrophobicContact CG2-CZ 4.5Å; G553-F576 PolarHBondContact O-N 2.67Å; F554-F576 AromaticContact CD1-CD2 3.74Å; F554-F576 HydrophobicContact CD1-CD2 3.74Å; F554-F576 HydrophobicContact CD2-CD2 4.03Å; F554-F576 HydrophobicContact CD2-CE2 4.12Å; F554-F576 AromaticContact CE1-CD2 3.63Å; F554-F576 HydrophobicContact CE1-CD2 3.63Å; F554-F576 HydrophobicContact CE1-CE2 4.23Å; F554-F576 HydrophobicContact CE1-CG 4.37Å; F554-F576 AromaticContact CE2-CD2 3.91Å; F554-F576 HydrophobicContact CE2-CD2 3.91Å; F554-F576 AromaticContact CE2-CE2 3.75Å; F554-F576 HydrophobicContact CE2-CE2 3.75Å; F554-F576 AromaticContact CG-CD2 3.97Å; F554-F576 HydrophobicContact CG-CD2 3.97Å; F554-F576 AromaticContact CZ-CD2 3.73Å; F554-F576 HydrophobicContact CZ-CD2 3.73Å; F554-F576 AromaticContact CZ-CE2 3.83Å; F554-F576 HydrophobicContact CZ-CE2 3.83Å; F576-D578 PolarHBondContact O-N 2.96Å; F576-G583 WeakPolarHBondContact CA-O 3.46Å; F576-I584 HydrophobicContact CD1-CD1 3.87Å; F576-I584 HydrophobicContact CE1-CD1 4Å
577S95.4Very high95.1Very high3 Ų319.4 Ų19.42%0.02112%0.118CC..  trans-65.4132.6175.3-175.50000109.6W530 S579 E580 G583 P603W530-S577 PolarHBondContact NE1-O 3.23Å; S577-S579 PolarHBondContact OG-N 3.08Å; S577-E580 PolarHBondContact OG-N 3.2Å; S577-E580 VanDerWaalsContact OG-N 3.09Å; S577-G583 PolarHBondContact N-O 2.94Å; S577-P603 WeakPolarHBondContact OG-CG 3.31Å
578D89.7Confident95.3Very high27 Ų2719.6 Ų19.614%0.14412%0.116CC..SBendtrans-79.4-15.1170.756.7-4.4000112.4F490 K494 F576F490-D578 HydrophobicContact CZ-CB 4.46Å; K494-D578 PolarHBondContact NZ-O 2.92Å; F576-D578 PolarHBondContact O-N 2.96Å
579S90.4Very high95.5Very high43 Ų4315.7 Ų15.730%0.3019%0.09SC..SBendtrans-111-21.4-165.7-57.60000114.3R523 S577R523-S579 PolarHBondContact NH1-OG 2.8Å; R523-S579 PolarHBondContact NH2-OG 3.23Å; S577-S579 PolarHBondContact OG-N 3.08Å
580E93.2Very high95.4Very high72 Ų7213.9 Ų13.934%0.3368%0.078SC..SBendtrans-132.9126.3-173.6-174161.7-16000109.4S577 G582 G583 T605S577-E580 PolarHBondContact OG-N 3.2Å; S577-E580 VanDerWaalsContact OG-N 3.09Å; E580-G582 PolarHBondContact O-N 3.06Å; E580-G583 PolarHBondContact O-N 3.48Å; E580-T605 HydrophobicContact CG-CG2 4.26Å; E580-T605 VanDerWaalsContact OE1-CG2 3.23Å; E580-T605 WeakPolarHBondContact OE1-CG2 3.44Å
581I95.1Very high95Very high75 Ų7518.2 Ų18.239%0.38510%0.098SC..THydrogen-bonded Turntrans-64129.8178.9-59178000108.9F525 G583F525-I581 HydrophobicContact CB-CD1 3.59Å; F525-I581 HydrophobicContact CB-CG1 4.25Å; F525-I581 HydrophobicContact CD1-CD1 3.58Å; F525-I581 HydrophobicContact CD1-CG1 3.48Å; F525-I581 VanDerWaalsContact CD1-CG1 3.48Å; F525-I581 HydrophobicContact CD2-CD1 4.43Å; F525-I581 HydrophobicContact CD2-CG1 4.17Å; F525-I581 HydrophobicContact CE1-CD1 4.35Å; F525-I581 HydrophobicContact CE1-CG1 3.75Å; F525-I581 HydrophobicContact CE2-CG1 4.39Å; F525-I581 HydrophobicContact CG-CD1 3.63Å; F525-I581 HydrophobicContact CG-CG1 3.71Å; F525-I581 HydrophobicContact CZ-CG1 4.19Å; I581-G583 VanDerWaalsContact C-N 3.28Å; I581-G583 PolarHBondContact O-N 2.83Å
582G95.6Very high94.2Very high11 Ų1122.3 Ų22.311%0.11312%0.117CC..THydrogen-bonded Turntrans61.136.9177.100000113.4G533 L537 E580G533-G582 VanDerWaalsContact O-CA 3.3Å; G533-G582 WeakPolarHBondContact O-CA 3.21Å; L537-G582 WeakPolarHBondContact CD1-O 3.28Å; L537-G582 WeakPolarHBondContact CD2-O 3.47Å; E580-G582 PolarHBondContact O-N 3.06Å
583G96.9Very high93.2Very high2 Ų230.5 Ų30.52%0.02116%0.16CC..EExtended strand (participates in β ladder)trans-108.2139.317200000112.9F576 S577 E580 I581 F604F576-G583 WeakPolarHBondContact CA-O 3.46Å; S577-G583 PolarHBondContact N-O 2.94Å; E580-G583 PolarHBondContact O-N 3.48Å; I581-G583 VanDerWaalsContact C-N 3.28Å; I581-G583 PolarHBondContact O-N 2.83Å; G583-F604 WeakPolarHBondContact CA-O 3.45Å
584I98.1Very high92.1Very high0 Ų033.3 Ų33.30%019%0.19CC..EExtended strand (participates in β ladder)trans-111131.3167.7-173.778.1000109.5L537 L542 I551 L574 R575 F576 P603 F604 L609L537-I584 HydrophobicContact CD2-CB 4.03Å; L537-I584 HydrophobicContact CD2-CG2 4.17Å; L542-I584 HydrophobicContact CD1-CB 3.98Å; L542-I584 HydrophobicContact CD1-CD1 4.22Å; L542-I584 HydrophobicContact CD1-CG1 4.19Å; L542-I584 HydrophobicContact CD1-CG2 4.17Å; L542-I584 HydrophobicContact CD2-CG2 4.45Å; I551-I584 HydrophobicContact CG2-CD1 4.14Å; L574-I584 HydrophobicContact CB-CD1 4.45Å; L574-I584 HydrophobicContact CD2-CG1 4.27Å; R575-I584 VanDerWaalsContact O-CD1 3.28Å; R575-I584 WeakPolarHBondContact O-CD1 3.07Å; F576-I584 HydrophobicContact CD1-CD1 3.87Å; F576-I584 HydrophobicContact CE1-CD1 4Å; I584-P603 CarbonylContact O-C 3.55Å; I584-P603 WeakPolarHBondContact O-CA 3.48Å; I584-F604 HydrophobicContact CG2-CB 4.06Å; I584-F604 PolarHBondContact N-O 2.9Å; I584-F604 PolarHBondContact O-N 2.88Å; I584-L609 HydrophobicContact CG2-CD1 4.21Å
585T97.2Very high91.3Very high3 Ų338.5 Ų38.52%0.01822%0.216CC..EExtended strand (participates in β ladder)trans-123.4157.8-179.3173.80000111R575 I601R575-T585 HydrophobicContact CG-CG2 3.56Å; R575-T585 PolarHBondContact N-O 2.69Å; R575-T585 WeakPolarHBondContact O-CG2 3.3Å; R575-T585 PolarHBondContact O-N 2.84Å; T585-I601 PolarHBondContact OG1-O 2.76Å
586I97Very high90.6Very high0 Ų041.5 Ų41.50%024%0.236CC..EExtended strand (participates in β ladder)trans-109.8123.2175.3-63165.3000107.7F572 L573 L574 I601 F604 I618 I621 I624F572-I586 HydrophobicContact CB-CG2 3.97Å; F572-I586 HydrophobicContact CD2-CG2 3.89Å; F572-I586 HydrophobicContact CG-CG2 4.29Å; L573-I586 WeakPolarHBondContact O-CA 3.33Å; L574-I586 HydrophobicContact CD2-CD1 4.25Å; L574-I586 HydrophobicContact CD2-CG1 3.47Å; L574-I586 VanDerWaalsContact CD2-CG1 3.47Å; I586-I601 HydrophobicContact CB-CB 4.31Å; I586-I601 HydrophobicContact CB-CD1 4.02Å; I586-I601 HydrophobicContact CB-CG1 4.32Å; I586-I601 HydrophobicContact CD1-CD1 4.32Å; I586-I601 HydrophobicContact CG2-CD1 4.19Å; I586-I601 PolarHBondContact O-N 3.35Å; I586-F604 HydrophobicContact CD1-CE2 4.04Å; I586-I618 HydrophobicContact CD1-CG1 4.02Å; I586-I621 HydrophobicContact CD1-CD1 3.84Å; I586-I624 HydrophobicContact CD1-CD1 4.17Å; I586-I624 HydrophobicContact CG2-CD1 4.42Å; I586-I624 HydrophobicContact CG2-CG2 4.16Å
587A96.3Very high90.2Very high0 Ų045.4 Ų45.40%026%0.256CS..EExtended strand (participates in β ladder)trans-105134.2167.500000109V560 F572 L573 I598 Q599V560-A587 HydrophobicContact CG1-CB 3.64Å; F572-A587 CarbonylContact C-O 3.47Å; F572-A587 WeakPolarHBondContact CA-O 3.07Å; F572-A587 WeakPolarHBondContact CB-O 3.36Å; L573-A587 HydrophobicContact CD1-CB 4.4Å; L573-A587 PolarHBondContact N-O 3.38Å; L573-A587 PolarHBondContact O-N 2.84Å; A587-I598 HydrophobicContact CB-CG2 4.47Å; A587-Q599 CarbonylContact C-O 3.56Å; A587-Q599 VanDerWaalsContact CA-O 3.31Å; A587-Q599 WeakPolarHBondContact CA-O 3.1Å
588Y95.7Very high90Very high22 Ų2246.5 Ų46.59%0.08626%0.261CS..EExtended strand (participates in β ladder)trans-144.6155.6-177.874.3-80.9000112.9T571 I598 Q599 I601 E623 I624T571-Y588 CarbonylContact O-C 3.53Å; T571-Y588 WeakPolarHBondContact O-CA 3.34Å; Y588-I598 WeakPolarHBondContact O-CA 3.35Å; Y588-Q599 HydrophobicContact CD1-CB 4.07Å; Y588-Q599 HydrophobicContact CE1-CB 3.5Å; Y588-Q599 HydrophobicContact CE2-CB 4.26Å; Y588-Q599 PolarHBondContact N-O 2.91Å; Y588-Q599 PolarHBondContact O-N 2.93Å; Y588-I601 HydrophobicContact CD1-CD1 4.44Å; Y588-I601 HydrophobicContact CD1-CG1 4.32Å; Y588-I601 HydrophobicContact CE1-CD1 4.29Å; Y588-I601 HydrophobicContact CE1-CG1 4.03Å; Y588-E623 HydrophobicContact CD2-CB 4.48Å; Y588-E623 HydrophobicContact CE2-CB 3.82Å; Y588-I624 HydrophobicContact CD1-CG2 4.12Å; Y588-I624 HydrophobicContact CD2-CG2 4.21Å; Y588-I624 HydrophobicContact CG-CG2 3.76Å
589V94.5Very high90.1Very high1 Ų148 Ų481%0.00627%0.267CS..EExtended strand (participates in β ladder)trans-83.2120.8175.9-175.50000109.6L564 G570 T571 P596 M597 I598L564-V589 HydrophobicContact CB-CG2 3.75Å; L564-V589 HydrophobicContact CD1-CG2 4.41Å; L564-V589 HydrophobicContact CG-CG2 4.48Å; L564-V589 WeakPolarHBondContact O-CG2 3.33Å; G570-V589 PolarHBondContact N-O 3.48Å; T571-V589 PolarHBondContact O-N 2.9Å; V589-P596 HydrophobicContact CG1-CB 4.23Å; V589-M597 CarbonylContact C-O 3.52Å; V589-M597 WeakPolarHBondContact CA-O 3.3Å; V589-I598 HydrophobicContact CG2-CG1 4.48Å
590S90.3Very high90.2Very high18 Ų1848.7 Ų48.713%0.12627%0.267CS..EExtended strand (participates in β ladder)trans-109.6163.5165.466.40000109.9P596 M597 Q599S590-P596 WeakPolarHBondContact O-CA 3.49Å; S590-M597 PolarHBondContact N-O 3.32Å; S590-M597 PolarHBondContact O-N 2.8Å; S590-M597 PolarHBondContact OG-O 2.83Å; S590-Q599 VanDerWaalsContact OG-CG 3.28Å; S590-Q599 WeakPolarHBondContact OG-CG 3.19Å
591H84.9Confident90.2Very high93 Ų9346.1 Ų46.143%0.43126%0.256SS..EExtended strand (participates in β ladder)trans-114.4117.7168.2-75.164.2000108.5S569 I595S569-H591 WeakPolarHBondContact CB-ND1 3.37Å; S569-H591 PolarHBondContact OG-ND1 3Å; H591-I595 WeakPolarHBondContact CA-O 3.46Å
592E79.8Confident90.2Very high88 Ų8850 Ų5041%0.41127%0.273SS..EExtended strand (participates in β ladder)trans-109.6118.8171.5-72.7176.4-150.600107.2G594 I595 M597 Q599E592-G594 PolarHBondContact O-N 3.28Å; E592-G594 VanDerWaalsContact O-N 3.08Å; E592-I595 PolarHBondContact N-O 2.97Å; E592-I595 PolarHBondContact O-N 2.81Å; E592-M597 HydrophobicContact CB-CG 4.41Å; E592-M597 HydrophobicContact CB-SD 4.08Å; E592-M597 HydrophobicContact CG-SD 4.45Å; E592-Q599 PolarHBondContact OE1-NE2 3.05Å
593N77.3Confident90.2Very high172 Ų17250.8 Ų50.892%0.9228%0.275SS*.THydrogen-bonded Turntrans5429.8-177.6-57.6-34.6000114.9I595N593-I595 VanDerWaalsContact C-N 3.32Å
594G74.5Confident90.2Very high61 Ų6151.4 Ų51.463%0.62928%0.278SS*.THydrogen-bonded Turntrans84.20.1-178.700000114.9E592E592-G594 PolarHBondContact O-N 3.28Å; E592-G594 VanDerWaalsContact O-N 3.08Å
595I80.8Confident90.2Very high110 Ų11052.6 Ų52.656%0.56429%0.285SS*.EExtended strand (participates in β ladder)trans-97.6128.6175.8-57.9174.8000108.8H591 E592 N593 M597H591-I595 WeakPolarHBondContact CA-O 3.46Å; E592-I595 PolarHBondContact N-O 2.97Å; E592-I595 PolarHBondContact O-N 2.81Å; N593-I595 VanDerWaalsContact C-N 3.32Å; I595-M597 PolarHBondContact O-N 2.81Å
596P82.5Confident90.1Very high67 Ų6757.4 Ų57.444%0.43530%0.303SS..EExtended strand (participates in β ladder)trans-67.8123.8174.827.8-33000110V589 S590V589-P596 HydrophobicContact CG1-CB 4.23Å; S590-P596 WeakPolarHBondContact O-CA 3.49Å
597M89.6Confident90Very high86 Ų8665 Ų6542%0.42434%0.336SS..EExtended strand (participates in β ladder)trans-122.6151.2175.4-63-157.5107.900110.4V589 S590 E592 I595V589-M597 CarbonylContact C-O 3.52Å; V589-M597 WeakPolarHBondContact CA-O 3.3Å; S590-M597 PolarHBondContact N-O 3.32Å; S590-M597 PolarHBondContact O-N 2.8Å; S590-M597 PolarHBondContact OG-O 2.83Å; E592-M597 HydrophobicContact CB-CG 4.41Å; E592-M597 HydrophobicContact CB-SD 4.08Å; E592-M597 HydrophobicContact CG-SD 4.45Å; I595-M597 PolarHBondContact O-N 2.81Å
598I90.9Very high90Very high26 Ų2667.4 Ų67.413%0.13335%0.349CS..EExtended strand (participates in β ladder)trans-108.3108.6-178.9-67.4169.4000109.3V560 H561 L564 A587 Y588 V589V560-I598 HydrophobicContact CG1-CG2 4.18Å; H561-I598 VanDerWaalsContact CA-CD1 3.42Å; H561-I598 HydrophobicContact CB-CD1 4.05Å; L564-I598 HydrophobicContact CB-CD1 3.76Å; L564-I598 HydrophobicContact CB-CG1 4.33Å; A587-I598 HydrophobicContact CB-CG2 4.47Å; Y588-I598 WeakPolarHBondContact O-CA 3.35Å; V589-I598 HydrophobicContact CG2-CG1 4.48Å
599Q91.7Very high90Very high59 Ų5966.8 Ų66.828%0.27635%0.347SS..EExtended strand (participates in β ladder)trans-93.8144.3-179.4-66.8-65.4-15.300110A587 Y588 S590 E592A587-Q599 CarbonylContact C-O 3.56Å; A587-Q599 VanDerWaalsContact CA-O 3.31Å; A587-Q599 WeakPolarHBondContact CA-O 3.1Å; Y588-Q599 HydrophobicContact CD1-CB 4.07Å; Y588-Q599 HydrophobicContact CE1-CB 3.5Å; Y588-Q599 HydrophobicContact CE2-CB 4.26Å; Y588-Q599 PolarHBondContact N-O 2.91Å; Y588-Q599 PolarHBondContact O-N 2.93Å; S590-Q599 VanDerWaalsContact OG-CG 3.28Å; S590-Q599 WeakPolarHBondContact OG-CG 3.19Å; E592-Q599 PolarHBondContact OE1-NE2 3.05Å
600N92.4Very high90Very high56 Ų5672.3 Ų72.330%0.29937%0.372SS..EExtended strand (participates in β ladder)trans-121.7121179.5-71.1-102.5000109.5R575R575-N600 PolarHBondContact NH2-OD1 2.9Å
601I94.1Very high90.1Very high19 Ų1976.9 Ų76.910%0.09739%0.394CS..PPolyproline II helixtrans-75.1143.6176.1-59.8-177.3000109.2T585 I586 Y588 F604 I621 V660T585-I601 PolarHBondContact OG1-O 2.76Å; I586-I601 HydrophobicContact CB-CB 4.31Å; I586-I601 HydrophobicContact CB-CD1 4.02Å; I586-I601 HydrophobicContact CB-CG1 4.32Å; I586-I601 HydrophobicContact CD1-CD1 4.32Å; I586-I601 HydrophobicContact CG2-CD1 4.19Å; I586-I601 PolarHBondContact O-N 3.35Å; Y588-I601 HydrophobicContact CD1-CD1 4.44Å; Y588-I601 HydrophobicContact CD1-CG1 4.32Å; Y588-I601 HydrophobicContact CE1-CD1 4.29Å; Y588-I601 HydrophobicContact CE1-CG1 4.03Å; I601-F604 HydrophobicContact CG2-CE2 4.41Å; I601-F604 HydrophobicContact CG2-CZ 3.93Å; I601-I621 HydrophobicContact CD1-CD1 3.85Å; I601-I621 HydrophobicContact CD1-CG2 4.18Å; I601-V660 HydrophobicContact CD1-CG2 3.67Å; I601-V660 HydrophobicContact CG1-CG2 4.28Å
602Q93.8Very high90.5Very high157 Ų15774.2 Ų74.273%0.73438%0.38SS*.PPolyproline II helixtrans-50.5135.5174.4-174.3174.7-1.800110.7F604Q602-F604 PolarHBondContact O-N 3.23Å
603P96.6Very high91.2Very high27 Ų2772 Ų7218%0.17537%0.374CS..PPolyproline II helixtrans-58.8138.5-179.2-22.332.3000112.7S577 I584S577-P603 WeakPolarHBondContact OG-CG 3.31Å; I584-P603 CarbonylContact O-C 3.55Å; I584-P603 WeakPolarHBondContact O-CA 3.48Å
604F97.1Very high92.1Very high15 Ų1564 Ų647%0.06633%0.332CS..EExtended strand (participates in β ladder)trans-88.6122168.8-54.6-60.7000109.2G583 I584 I586 I601 Q602 D608 L609 L614 T658G583-F604 WeakPolarHBondContact CA-O 3.45Å; I584-F604 HydrophobicContact CG2-CB 4.06Å; I584-F604 PolarHBondContact N-O 2.9Å; I584-F604 PolarHBondContact O-N 2.88Å; I586-F604 HydrophobicContact CD1-CE2 4.04Å; I601-F604 HydrophobicContact CG2-CE2 4.41Å; I601-F604 HydrophobicContact CG2-CZ 3.93Å; Q602-F604 PolarHBondContact O-N 3.23Å; F604-D608 HydrophobicContact CB-CB 4.13Å; F604-D608 HydrophobicContact CD1-CB 4.38Å; F604-L609 HydrophobicContact CB-CD2 4.08Å; F604-L609 HydrophobicContact CB-CG 4.4Å; F604-L614 HydrophobicContact CD2-CD1 4.25Å; F604-T658 HydrophobicContact CE1-CG2 4.42Å; F604-T658 HydrophobicContact CZ-CG2 4.29Å
605T97.1Very high93.2Very high24 Ų2461.1 Ų61.115%0.14730%0.302CS..EExtended strand (participates in β ladder)trans-90.3175.6176.970.10000111.1E580 K607 D608 L609E580-T605 HydrophobicContact CG-CG2 4.26Å; E580-T605 VanDerWaalsContact OE1-CG2 3.23Å; E580-T605 WeakPolarHBondContact OE1-CG2 3.44Å; T605-K607 PolarHBondContact O-N 2.85Å; T605-K607 PolarHBondContact OG1-N 3.1Å; T605-D608 WeakPolarHBondContact CB-OD2 3.3Å; T605-D608 PolarHBondContact N-OD2 3.04Å; T605-D608 WeakPolarHBondContact O-CB 3.34Å; T605-D608 PolarHBondContact O-N 2.75Å; T605-D608 PolarHBondContact OG1-OD2 2.84Å; T605-L609 WeakPolarHBondContact O-CG 3.27Å; T605-L609 PolarHBondContact O-N 3.1Å
606R95.8Very high93.8Very high105 Ų10556.3 Ų56.340%0.39628%0.277SS..Hα-helixtrans-46.8-46.3169.2-178.4175.4-173.4177.73.8113.1L537 D608 L609 E610L537-R606 HydrophobicContact CD1-CB 4.15Å; R606-D608 VanDerWaalsContact C-N 3.28Å; R606-D608 PolarHBondContact O-N 2.87Å; R606-L609 PolarHBondContact O-N 3.06Å; R606-E610 HydrophobicContact CG-CG 4.38Å; R606-E610 WeakPolarHBondContact CG-OE1 3.4Å; R606-E610 IonicContact CZ-OE1 2.77Å; R606-E610 IonicContact NE-OE1 2.53Å; R606-E610 PolarHBondContact NE-OE1 3.23Å; R606-E610 IonicContact NH2-OE1 3.98Å; R606-E610 WeakPolarHBondContact O-CB 3.48Å; R606-E610 WeakPolarHBondContact O-CG 3.46Å; R606-E610 PolarHBondContact O-N 3.25Å
607K95.4Very high94.5Very high159 Ų15954.4 Ų54.469%0.69126%0.261SS*.Hα-helixtrans-61.8-39.8-178.8-65.5179.2-178.9174.50111.2T605 I611T605-K607 PolarHBondContact O-N 2.85Å; T605-K607 PolarHBondContact OG1-N 3.1Å; K607-I611 WeakPolarHBondContact O-CD1 3.32Å; K607-I611 WeakPolarHBondContact O-CG1 3.41Å; K607-I611 PolarHBondContact O-N 2.85Å
608D95.1Very high94.8Very high51 Ų5150.3 Ų50.327%0.27324%0.241SC..Hα-helixtrans-67.3-40.3178.9-58.4-61.8000111.9F604 T605 R606 I611 R612 R617F604-D608 HydrophobicContact CB-CB 4.13Å; F604-D608 HydrophobicContact CD1-CB 4.38Å; T605-D608 WeakPolarHBondContact CB-OD2 3.3Å; T605-D608 PolarHBondContact N-OD2 3.04Å; T605-D608 WeakPolarHBondContact O-CB 3.34Å; T605-D608 PolarHBondContact O-N 2.75Å; T605-D608 PolarHBondContact OG1-OD2 2.84Å; R606-D608 VanDerWaalsContact C-N 3.28Å; R606-D608 PolarHBondContact O-N 2.87Å; D608-I611 PolarHBondContact O-N 3.03Å; D608-R612 PolarHBondContact O-N 3.32Å; D608-R617 PolarHBondContact O-NE 3.06Å; D608-R617 PolarHBondContact O-NH2 2.93Å
609L95.8Very high95Very high9 Ų952.3 Ų52.35%0.04725%0.247CC..Hα-helixtrans-76.5-25.7-179.1-61.9-177000113.3L537 H541 L542 I584 F604 T605 R606 R612 L614L537-L609 HydrophobicContact CD1-CD1 3.88Å; L537-L609 HydrophobicContact CG-CD1 4.31Å; H541-L609 HydrophobicContact CB-CB 4.18Å; H541-L609 HydrophobicContact CB-CD1 3.7Å; L542-L609 HydrophobicContact CD2-CD1 3.76Å; L542-L609 HydrophobicContact CG-CD1 4.41Å; I584-L609 HydrophobicContact CG2-CD1 4.21Å; F604-L609 HydrophobicContact CB-CD2 4.08Å; F604-L609 HydrophobicContact CB-CG 4.4Å; T605-L609 WeakPolarHBondContact O-CG 3.27Å; T605-L609 PolarHBondContact O-N 3.1Å; R606-L609 PolarHBondContact O-N 3.06Å; L609-R612 WeakPolarHBondContact CA-O 3.29Å; L609-R612 CarbonylContact O-C 3.47Å; L609-L614 HydrophobicContact CD2-CB 4.01Å
610E94.3Very high95.1Very high116 Ų11650.7 Ų50.754%0.54224%0.24SC..Hα-helixtrans-69-35.4169.8-75.8172178.800111.6R606R606-E610 HydrophobicContact CG-CG 4.38Å; R606-E610 WeakPolarHBondContact CG-OE1 3.4Å; R606-E610 IonicContact CZ-OE1 2.77Å; R606-E610 IonicContact NE-OE1 2.53Å; R606-E610 PolarHBondContact NE-OE1 3.23Å; R606-E610 IonicContact NH2-OE1 3.98Å; R606-E610 WeakPolarHBondContact O-CB 3.48Å; R606-E610 WeakPolarHBondContact O-CG 3.46Å; R606-E610 PolarHBondContact O-N 3.25Å
611I93.1Very high95.2Very high114 Ų11448.1 Ų48.159%0.58523%0.226SC*.Hα-helixtrans-73.5-43.4175.6-65.3164000111.2K607 D608 L656K607-I611 WeakPolarHBondContact O-CD1 3.32Å; K607-I611 WeakPolarHBondContact O-CG1 3.41Å; K607-I611 PolarHBondContact O-N 2.85Å; D608-I611 PolarHBondContact O-N 3.03Å; I611-L656 HydrophobicContact CG2-CD1 4.02Å
612R93Very high95Very high38 Ų3853.1 Ų53.114%0.14325%0.253CS..SBendtrans-153127.1-178.8-171.8175.2-174.179.7-10.7110.6D608 L609 D616 R617 D620 L656D608-R612 PolarHBondContact O-N 3.32Å; L609-R612 WeakPolarHBondContact CA-O 3.29Å; L609-R612 CarbonylContact O-C 3.47Å; R612-D616 HydrophobicContact CG-CB 3.98Å; R612-R617 HydrophobicContact CB-CG 4.41Å; R612-R617 HydrophobicContact CG-CG 4.12Å; R612-R617 PolarHBondContact O-NE 3.23Å; R612-D620 IonicContact CZ-OD2 3.24Å; R612-D620 VanDerWaalsContact CZ-OD2 3.24Å; R612-D620 IonicContact NE-OD2 2.9Å; R612-D620 PolarHBondContact NE-OD2 2.93Å; R612-D620 IonicContact NH2-OD1 3.19Å; R612-D620 PolarHBondContact NH2-OD1 3.48Å; R612-D620 IonicContact NH2-OD2 2.78Å; R612-D620 PolarHBondContact NH2-OD2 3.33Å; R612-L656 PolarHBondContact NH1-O 2.84Å; R612-L656 PolarHBondContact NH2-O 3.36Å
613C94.4Very high95Very high42 Ų4249.6 Ų49.628%0.28424%0.237SC..  trans-63.8157.1-176.172.70000112.8G615 D616 R617C613-G615 PolarHBondContact O-N 2.76Å; C613-D616 PolarHBondContact O-N 3.49Å; C613-R617 WeakPolarHBondContact O-CG 3.44Å; C613-R617 PolarHBondContact O-N 2.79Å; C613-R617 VanDerWaalsContact O-N 3.15Å
614L96.9Very high94.9Very high4 Ų448.3 Ų48.32%0.02123%0.228CC..Hα-helixtrans-60.2-41.4-176.9-17962000112.9L542 Y545 L574 F604 L609 D616 R617 I618L542-L614 HydrophobicContact CD2-CB 4.24Å; L542-L614 HydrophobicContact CD2-CD2 3.61Å; Y545-L614 HydrophobicContact CD1-CD2 4.43Å; Y545-L614 HydrophobicContact CE1-CB 4.41Å; Y545-L614 HydrophobicContact CE2-CB 4.32Å; Y545-L614 HydrophobicContact CG-CD2 4.47Å; L574-L614 HydrophobicContact CD1-CD2 4.32Å; L574-L614 HydrophobicContact CD2-CD1 4.32Å; L574-L614 HydrophobicContact CD2-CD2 4.25Å; F604-L614 HydrophobicContact CD2-CD1 4.25Å; L609-L614 HydrophobicContact CD2-CB 4.01Å; L614-D616 PolarHBondContact O-N 3.5Å; L614-R617 WeakPolarHBondContact O-CB 3.4Å; L614-R617 PolarHBondContact O-N 3.05Å; L614-I618 HydrophobicContact CD1-CD1 3.97Å; L614-I618 HydrophobicContact CD1-CG1 4.12Å; L614-I618 HydrophobicContact CD2-CD1 4.29Å; L614-I618 HydrophobicContact CG-CD1 3.74Å; L614-I618 HydrophobicContact CG-CG1 4.31Å; L614-I618 WeakPolarHBondContact O-CG1 3.45Å; L614-I618 PolarHBondContact O-N 3.46Å
615G96.1Very high94.8Very high0 Ų051.5 Ų51.50%025%0.245CC..Hα-helixtrans-58.1-46.2179.700000112.8Y545 C613 I618 R619 Y641Y545-G615 PolarHBondContact OH-N 2.76Å; C613-G615 PolarHBondContact O-N 2.76Å; G615-I618 PolarHBondContact O-N 2.72Å; G615-R619 PolarHBondContact O-N 3.48Å; G615-Y641 WeakPolarHBondContact O-CD1 3.18Å; G615-Y641 VanDerWaalsContact O-CE1 3.31Å; G615-Y641 WeakPolarHBondContact O-CE1 3.23Å
616D94.8Very high94.8Very high8 Ų854.8 Ų54.84%0.04326%0.256CS..Hα-helixtrans-66.3-37.5175.8-81.3-14.1000112.4R612 C613 L614 R619 D620 T642R612-D616 HydrophobicContact CG-CB 3.98Å; C613-D616 PolarHBondContact O-N 3.49Å; L614-D616 PolarHBondContact O-N 3.5Å; D616-R619 VanDerWaalsContact CG-NH2 3.29Å; D616-R619 WeakPolarHBondContact O-CB 3.46Å; D616-R619 PolarHBondContact O-N 3.39Å; D616-R619 IonicContact OD1-CZ 3.16Å; D616-R619 IonicContact OD1-NH1 3.09Å; D616-R619 PolarHBondContact OD1-NH1 2.9Å; D616-R619 VanDerWaalsContact OD1-NH1 3.09Å; D616-R619 IonicContact OD1-NH2 3.04Å; D616-R619 PolarHBondContact OD1-NH2 2.83Å; D616-R619 IonicContact OD2-NH2 3.74Å; D616-D620 PolarHBondContact O-N 3.28Å; D616-D620 VanDerWaalsContact O-N 3.13Å; D616-T642 PolarHBondContact OD1-N 2.9Å; D616-T642 WeakPolarHBondContact OD2-CB 3.35Å; D616-T642 PolarHBondContact OD2-OG1 3.47Å
617R95.6Very high94.9Very high27 Ų2750.1 Ų50.110%0.10224%0.239CC..Hα-helixtrans-62.3-45.2174.4-66.2179.6169.3-87.72.9111.3D608 R612 C613 L614 R619 D620 I621 T658D608-R617 PolarHBondContact O-NE 3.06Å; D608-R617 PolarHBondContact O-NH2 2.93Å; R612-R617 HydrophobicContact CB-CG 4.41Å; R612-R617 HydrophobicContact CG-CG 4.12Å; R612-R617 PolarHBondContact O-NE 3.23Å; C613-R617 WeakPolarHBondContact O-CG 3.44Å; C613-R617 PolarHBondContact O-N 2.79Å; C613-R617 VanDerWaalsContact O-N 3.15Å; L614-R617 WeakPolarHBondContact O-CB 3.4Å; L614-R617 PolarHBondContact O-N 3.05Å; R617-R619 VanDerWaalsContact C-N 3.32Å; R617-R619 PolarHBondContact O-N 3.42Å; R617-D620 PolarHBondContact O-N 3.13Å; R617-I621 WeakPolarHBondContact O-CD1 3.43Å; R617-I621 VanDerWaalsContact O-CG1 3.3Å; R617-I621 WeakPolarHBondContact O-CG1 3.45Å; R617-I621 PolarHBondContact O-N 3.37Å; R617-T658 HydrophobicContact CB-CG2 4.49Å; R617-T658 WeakPolarHBondContact CG-OG1 3.38Å
618I96.4Very high94.9Very high0 Ų046.6 Ų46.60%022%0.222CC..Hα-helixtrans-62.8-40176.5-70.6171000111F572 L574 I586 L614 G615 D620 I621 I624 K633 F637F572-I618 HydrophobicContact CE2-CG2 4.44Å; F572-I618 HydrophobicContact CZ-CG2 4.14Å; L574-I618 HydrophobicContact CD1-CD1 3.88Å; L574-I618 HydrophobicContact CD2-CD1 4.16Å; I586-I618 HydrophobicContact CD1-CG1 4.02Å; L614-I618 HydrophobicContact CD1-CD1 3.97Å; L614-I618 HydrophobicContact CD1-CG1 4.12Å; L614-I618 HydrophobicContact CD2-CD1 4.29Å; L614-I618 HydrophobicContact CG-CD1 3.74Å; L614-I618 HydrophobicContact CG-CG1 4.31Å; L614-I618 WeakPolarHBondContact O-CG1 3.45Å; L614-I618 PolarHBondContact O-N 3.46Å; G615-I618 PolarHBondContact O-N 2.72Å; I618-D620 VanDerWaalsContact C-N 3.31Å; I618-D620 PolarHBondContact O-N 3.48Å; I618-I621 PolarHBondContact O-N 2.89Å; I618-I624 HydrophobicContact CG2-CD1 4.04Å; I618-K633 HydrophobicContact CG2-CD 4.07Å; I618-K633 HydrophobicContact CG2-CG 3.97Å; I618-F637 HydrophobicContact CD1-CD1 3.7Å; I618-F637 HydrophobicContact CD1-CE1 3.3Å; I618-F637 HydrophobicContact CD1-CE2 4.36Å; I618-F637 HydrophobicContact CD1-CG 4.38Å; I618-F637 HydrophobicContact CD1-CZ 3.7Å; I618-F637 HydrophobicContact CG2-CB 4.48Å; I618-F637 HydrophobicContact CG2-CD1 4.34Å; I618-F637 HydrophobicContact CG2-CD2 3.93Å; I618-F637 HydrophobicContact CG2-CE2 4.25Å; I618-F637 HydrophobicContact CG2-CG 3.99Å
619R95.1Very high94.7Very high68 Ų6848.3 Ų48.326%0.25724%0.236SC..Hα-helixtrans-57.1-45175.7-177.2-175.163.1-155-12111.8G615 D616 R617 I621 Y641 T642G615-R619 PolarHBondContact O-N 3.48Å; D616-R619 VanDerWaalsContact CG-NH2 3.29Å; D616-R619 WeakPolarHBondContact O-CB 3.46Å; D616-R619 PolarHBondContact O-N 3.39Å; D616-R619 IonicContact OD1-CZ 3.16Å; D616-R619 IonicContact OD1-NH1 3.09Å; D616-R619 PolarHBondContact OD1-NH1 2.9Å; D616-R619 VanDerWaalsContact OD1-NH1 3.09Å; D616-R619 IonicContact OD1-NH2 3.04Å; D616-R619 PolarHBondContact OD1-NH2 2.83Å; D616-R619 IonicContact OD2-NH2 3.74Å; R617-R619 VanDerWaalsContact C-N 3.32Å; R617-R619 PolarHBondContact O-N 3.42Å; R619-I621 VanDerWaalsContact C-N 3.34Å; R619-I621 PolarHBondContact O-N 3.17Å; R619-Y641 HydrophobicContact CB-CD1 3.98Å; R619-Y641 HydrophobicContact CB-CE1 3.65Å; R619-Y641 HydrophobicContact CB-CE2 4.45Å; R619-Y641 HydrophobicContact CG-CD1 4.47Å; R619-Y641 HydrophobicContact CG-CD2 4.43Å; R619-Y641 HydrophobicContact CG-CE1 4.27Å; R619-Y641 HydrophobicContact CG-CE2 4.19Å; R619-T642 PolarHBondContact NH1-O 3.19Å
620D93.6Very high94.5Very high26 Ų2653.6 Ų53.614%0.13926%0.264CS..Hα-helixtrans-74.2-22.2-171.8-57.7-20.1000113.3R612 D616 R617 I618 N622 Q657 T658R612-D620 IonicContact CZ-OD2 3.24Å; R612-D620 VanDerWaalsContact CZ-OD2 3.24Å; R612-D620 IonicContact NE-OD2 2.9Å; R612-D620 PolarHBondContact NE-OD2 2.93Å; R612-D620 IonicContact NH2-OD1 3.19Å; R612-D620 PolarHBondContact NH2-OD1 3.48Å; R612-D620 IonicContact NH2-OD2 2.78Å; R612-D620 PolarHBondContact NH2-OD2 3.33Å; D616-D620 PolarHBondContact O-N 3.28Å; D616-D620 VanDerWaalsContact O-N 3.13Å; R617-D620 PolarHBondContact O-N 3.13Å; I618-D620 VanDerWaalsContact C-N 3.31Å; I618-D620 PolarHBondContact O-N 3.48Å; D620-N622 PolarHBondContact O-N 3.15Å; D620-Q657 WeakPolarHBondContact OD2-CA 3.36Å; D620-T658 WeakPolarHBondContact CB-O 3.18Å; D620-T658 PolarHBondContact OD2-N 2.78Å; D620-T658 VanDerWaalsContact OD2-N 3.07Å
621I94.3Very high94.5Very high1 Ų150.3 Ų50.31%0.00525%0.252CS..  trans-81.6113.8-179.8-61.6160.5000109.3I586 I601 R617 I618 R619 E623 I624 K633 T658 V660I586-I621 HydrophobicContact CD1-CD1 3.84Å; I601-I621 HydrophobicContact CD1-CD1 3.85Å; I601-I621 HydrophobicContact CD1-CG2 4.18Å; R617-I621 WeakPolarHBondContact O-CD1 3.43Å; R617-I621 VanDerWaalsContact O-CG1 3.3Å; R617-I621 WeakPolarHBondContact O-CG1 3.45Å; R617-I621 PolarHBondContact O-N 3.37Å; I618-I621 PolarHBondContact O-N 2.89Å; R619-I621 VanDerWaalsContact C-N 3.34Å; R619-I621 PolarHBondContact O-N 3.17Å; I621-E623 HydrophobicContact CG2-CB 4.4Å; I621-E623 VanDerWaalsContact CG2-OE2 3.24Å; I621-E623 WeakPolarHBondContact CG2-OE2 3.24Å; I621-I624 HydrophobicContact CB-CD1 3.91Å; I621-I624 HydrophobicContact CB-CG1 3.95Å; I621-I624 HydrophobicContact CD1-CD1 4.29Å; I621-I624 HydrophobicContact CG2-CB 4.38Å; I621-I624 HydrophobicContact CG2-CD1 3.91Å; I621-I624 HydrophobicContact CG2-CG1 3.71Å; I621-I624 HydrophobicContact CG2-CG2 4.07Å; I621-K633 PolarHBondContact O-NZ 3.27Å; I621-T658 HydrophobicContact CD1-CG2 4.31Å; I621-T658 HydrophobicContact CG1-CG2 4.2Å; I621-V660 HydrophobicContact CG1-CG2 4.18Å; I621-V660 HydrophobicContact CG2-CG2 3.74Å
622N91.5Very high94.7Very high124 Ų12447.3 Ų47.366%0.66324%0.24SC*.SBendtrans-84.3-24.2-174.3-69.5-41.3000113D620 I624D620-N622 PolarHBondContact O-N 3.15Å; N622-I624 PolarHBondContact O-N 3.44Å
623E92.5Very high94.9Very high84 Ų8446.8 Ų46.839%0.39324%0.239SC..SBendtrans-68.7-21.4-177.1-59.776.1-168.800112G570 Y588 I621G570-E623 VanDerWaalsContact CA-O 3.3Å; G570-E623 WeakPolarHBondContact CA-O 3.38Å; Y588-E623 HydrophobicContact CD2-CB 4.48Å; Y588-E623 HydrophobicContact CE2-CB 3.82Å; I621-E623 HydrophobicContact CG2-CB 4.4Å; I621-E623 VanDerWaalsContact CG2-OE2 3.24Å; I621-E623 WeakPolarHBondContact CG2-OE2 3.24Å
624I95.2Very high94.9Very high0 Ų050.6 Ų50.60%025%0.252CS..  trans-102.5132.2178.367.2-179.8000111F572 I586 Y588 I618 I621 N622 K633F572-I624 HydrophobicContact CB-CB 4.1Å; F572-I624 HydrophobicContact CB-CG2 3.84Å; F572-I624 HydrophobicContact CD1-CB 3.56Å; F572-I624 HydrophobicContact CD1-CD1 4.39Å; F572-I624 HydrophobicContact CD1-CG1 4.26Å; F572-I624 HydrophobicContact CD1-CG2 4.27Å; F572-I624 HydrophobicContact CD2-CD1 4.19Å; F572-I624 HydrophobicContact CE1-CB 4.04Å; F572-I624 HydrophobicContact CE1-CD1 4.31Å; F572-I624 HydrophobicContact CE1-CG1 4.27Å; F572-I624 HydrophobicContact CE2-CD1 4.11Å; F572-I624 HydrophobicContact CG-CB 3.84Å; F572-I624 HydrophobicContact CG-CD1 4.31Å; F572-I624 HydrophobicContact CG-CG2 4.07Å; F572-I624 HydrophobicContact CZ-CD1 4.17Å; I586-I624 HydrophobicContact CD1-CD1 4.17Å; I586-I624 HydrophobicContact CG2-CD1 4.42Å; I586-I624 HydrophobicContact CG2-CG2 4.16Å; Y588-I624 HydrophobicContact CD1-CG2 4.12Å; Y588-I624 HydrophobicContact CD2-CG2 4.21Å; Y588-I624 HydrophobicContact CG-CG2 3.76Å; I618-I624 HydrophobicContact CG2-CD1 4.04Å; I621-I624 HydrophobicContact CB-CD1 3.91Å; I621-I624 HydrophobicContact CB-CG1 3.95Å; I621-I624 HydrophobicContact CD1-CD1 4.29Å; I621-I624 HydrophobicContact CG2-CB 4.38Å; I621-I624 HydrophobicContact CG2-CD1 3.91Å; I621-I624 HydrophobicContact CG2-CG1 3.71Å; I621-I624 HydrophobicContact CG2-CG2 4.07Å; N622-I624 PolarHBondContact O-N 3.44Å; I624-K633 HydrophobicContact CG1-CD 3.96Å; I624-K633 VanDerWaalsContact O-CD 3.3Å; I624-K633 WeakPolarHBondContact O-CD 3.38Å; I624-K633 WeakPolarHBondContact O-CE 3.3Å; I624-K633 PolarHBondContact O-NZ 3.37Å
625L95.4Very high94.8Very high81 Ų8156.3 Ų56.342%0.42428%0.279SS..  trans-129.6-40.6-168.9-60.9178.2000112.9G570 K633G570-L625 PolarHBondContact O-N 3.37Å; L625-K633 WeakPolarHBondContact O-CB 3.49Å; L625-K633 PolarHBondContact O-N 2.91Å
626Y96.4Very high94.6Very high93 Ų9356.8 Ų56.837%0.36528%0.284SS..EExtended strand (participates in β ladder)trans-129.8121.7-175-53.5-82.4000110G570 T571 F572 V631G570-Y626 PolarHBondContact O-N 3.29Å; G570-Y626 VanDerWaalsContact O-N 3.17Å; T571-Y626 CarbonylContact C-O 3.53Å; T571-Y626 WeakPolarHBondContact CA-O 3.38Å; F572-Y626 VanDerWaalsContact CD1-C 3.44Å; F572-Y626 WeakPolarHBondContact CD1-O 3.3Å; F572-Y626 VanDerWaalsContact CE1-C 3.49Å; F572-Y626 PolarHBondContact N-O 2.94Å; Y626-V631 CarbonylContact C-O 3.57Å; Y626-V631 WeakPolarHBondContact CA-O 3.37Å
627L97.4Very high94.7Very high8 Ų856.4 Ų56.44%0.04228%0.281CS..EExtended strand (participates in β ladder)trans-71.2131.6168178.672.1000108.7L550 F572 N630 V631 F637L550-L627 HydrophobicContact CB-CD2 4.12Å; L550-L627 HydrophobicContact CD2-CD2 3.59Å; L550-L627 HydrophobicContact CG-CD2 4.47Å; F572-L627 HydrophobicContact CD2-CD1 4.14Å; F572-L627 HydrophobicContact CE1-CB 4.09Å; F572-L627 HydrophobicContact CE2-CB 4.45Å; F572-L627 HydrophobicContact CE2-CD1 3.78Å; F572-L627 HydrophobicContact CZ-CB 3.97Å; F572-L627 HydrophobicContact CZ-CD1 4.15Å; F572-L627 CarbonylContact O-C 3.57Å; F572-L627 WeakPolarHBondContact O-CA 3.4Å; L627-N630 PolarHBondContact O-N 3.09Å; L627-V631 HydrophobicContact CB-CB 4.21Å; L627-V631 PolarHBondContact N-O 3.1Å; L627-V631 PolarHBondContact O-N 3.04Å; L627-F637 HydrophobicContact CB-CE2 4.26Å; L627-F637 HydrophobicContact CD1-CE2 4.35Å; L627-F637 HydrophobicContact CD1-CZ 4.34Å; L627-F637 HydrophobicContact CD2-CE2 3.97Å; L627-F637 HydrophobicContact CD2-CZ 4.14Å; L627-F637 HydrophobicContact CG-CE2 4.44Å
628Y94.9Very high94.7Very high84 Ų8460.9 Ų60.933%0.32930%0.302SS..THydrogen-bonded Turntrans-55.7138.3176.8179.5-88.5000111.3I563 L564 T571 F572I563-Y628 HydrophobicContact CG2-CD1 4.25Å; I563-Y628 HydrophobicContact CG2-CD2 3.87Å; I563-Y628 HydrophobicContact CG2-CE1 3.81Å; I563-Y628 HydrophobicContact CG2-CE2 3.39Å; I563-Y628 HydrophobicContact CG2-CG 4.29Å; L564-Y628 HydrophobicContact CD2-CD2 3.82Å; L564-Y628 HydrophobicContact CD2-CG 4.33Å; T571-Y628 HydrophobicContact CG2-CD2 4.46Å; F572-Y628 PolarHBondContact O-N 3.25Å
629P91.2Very high94.6Very high88 Ų8867 Ų6757%0.57133%0.328SS*.THydrogen-bonded Turncis-83-29.63.430.8-33.8000114.9
630N91.9Very high94.6Very high119 Ų11965.1 Ų65.164%0.63632%0.322SS*.THydrogen-bonded Turntrans-166.148.5-178.7-166.223000112.6L627L627-N630 PolarHBondContact O-N 3.09Å
631V95.6Very high94.7Very high48 Ų4865.7 Ų65.729%0.29132%0.322SS..EExtended strand (participates in β ladder)trans-103.9118.5179.8178.80000109.4Y626 L627 K633Y626-V631 CarbonylContact C-O 3.57Å; Y626-V631 WeakPolarHBondContact CA-O 3.37Å; L627-V631 HydrophobicContact CB-CB 4.21Å; L627-V631 PolarHBondContact N-O 3.1Å; L627-V631 PolarHBondContact O-N 3.04Å; V631-K633 PolarHBondContact O-N 3.36Å
632P96.9Very high94.4Very high50 Ų5069.5 Ų69.533%0.32535%0.346SS..EExtended strand (participates in β ladder)trans-55134176.3-25.434000112H634 E635 G636P632-H634 VanDerWaalsContact C-N 3.28Å; P632-H634 PolarHBondContact O-N 2.7Å; P632-E635 HydrophobicContact CB-CB 4.08Å; P632-E635 WeakPolarHBondContact CD-OE2 3.49Å; P632-E635 HydrophobicContact CG-CB 4.48Å; P632-E635 WeakPolarHBondContact O-CB 3.31Å; P632-E635 PolarHBondContact O-N 3.23Å; P632-G636 PolarHBondContact O-N 3.37Å
633K95.9Very high93.8Very high28 Ų2872.1 Ų72.112%0.12235%0.354CS..Hα-helixtrans-48.8-48-177175174.874.9-173.80112.8F572 I618 I621 I624 L625 V631 E635 F637F572-K633 HydrophobicContact CE1-CB 4.3Å; I618-K633 HydrophobicContact CG2-CD 4.07Å; I618-K633 HydrophobicContact CG2-CG 3.97Å; I621-K633 PolarHBondContact O-NZ 3.27Å; I624-K633 HydrophobicContact CG1-CD 3.96Å; I624-K633 VanDerWaalsContact O-CD 3.3Å; I624-K633 WeakPolarHBondContact O-CD 3.38Å; I624-K633 WeakPolarHBondContact O-CE 3.3Å; I624-K633 PolarHBondContact O-NZ 3.37Å; L625-K633 WeakPolarHBondContact O-CB 3.49Å; L625-K633 PolarHBondContact O-N 2.91Å; V631-K633 PolarHBondContact O-N 3.36Å; K633-E635 VanDerWaalsContact C-N 3.34Å; K633-E635 PolarHBondContact O-N 2.92Å; K633-F637 WeakPolarHBondContact O-CB 3.32Å; K633-F637 WeakPolarHBondContact O-CD2 3.42Å; K633-F637 PolarHBondContact O-N 3.07Å
634H94.3Very high92.6Very high122 Ų12275.9 Ų75.957%0.56537%0.372SS*.Hα-helixtrans-65.9-39.3-179.2-171.477.9000111.7P632 K638 Y641P632-H634 VanDerWaalsContact C-N 3.28Å; P632-H634 PolarHBondContact O-N 2.7Å; H634-K638 WeakPolarHBondContact O-CA 3.3Å; H634-K638 WeakPolarHBondContact O-CB 3.46Å; H634-K638 WeakPolarHBondContact O-CG 3.33Å; H634-K638 PolarHBondContact O-N 2.8Å; H634-Y641 AromaticContact CE1-CE2 3.91Å; H634-Y641 AromaticContact ND1-CE2 3.53Å
635E94.9Very high90.8Very high124 Ų12484 Ų8458%0.57941%0.41SS*.Hα-helixtrans-63.7-45.9179.5-172.3179.2166.900111.9P632 K633P632-E635 HydrophobicContact CB-CB 4.08Å; P632-E635 WeakPolarHBondContact CD-OE2 3.49Å; P632-E635 HydrophobicContact CG-CB 4.48Å; P632-E635 WeakPolarHBondContact O-CB 3.31Å; P632-E635 PolarHBondContact O-N 3.23Å; K633-E635 VanDerWaalsContact C-N 3.34Å; K633-E635 PolarHBondContact O-N 2.92Å
636G93.6Very high89.1Confident10 Ų1085.7 Ų85.710%0.10343%0.425CS..Hα-helixtrans-69.6-36.5179.800000113.8L550 P632L550-G636 WeakPolarHBondContact CD1-O 3.16Å; P632-G636 PolarHBondContact O-N 3.37Å
637F96.6Very high87.1Confident0 Ų084.8 Ų84.80%043%0.43CS..Hα-helixtrans-112.1-7.9-168.1-65.3-87.4000116.3Y545 L550 F572 L574 I618 L627 K633 K639 F640 Y641Y545-F637 HydrophobicContact CD1-CD1 4.05Å; Y545-F637 AromaticContact CD1-CE1 3.86Å; Y545-F637 HydrophobicContact CD1-CE1 3.86Å; Y545-F637 HydrophobicContact CE1-CD1 4.02Å; Y545-F637 HydrophobicContact CE1-CE1 4.23Å; L550-F637 HydrophobicContact CB-CE1 4.36Å; L550-F637 HydrophobicContact CB-CZ 4.21Å; L550-F637 HydrophobicContact CD1-CD1 4.44Å; L550-F637 HydrophobicContact CD1-CE1 4.18Å; F572-F637 HydrophobicContact CE2-CE2 4.05Å; F572-F637 HydrophobicContact CE2-CZ 4.3Å; F572-F637 HydrophobicContact CZ-CD2 4.34Å; F572-F637 AromaticContact CZ-CE2 3.67Å; F572-F637 HydrophobicContact CZ-CE2 3.67Å; F572-F637 HydrophobicContact CZ-CZ 4.36Å; L574-F637 HydrophobicContact CD1-CE1 3.93Å; L574-F637 HydrophobicContact CD1-CZ 3.68Å; I618-F637 HydrophobicContact CD1-CD1 3.7Å; I618-F637 HydrophobicContact CD1-CE1 3.3Å; I618-F637 HydrophobicContact CD1-CE2 4.36Å; I618-F637 HydrophobicContact CD1-CG 4.38Å; I618-F637 HydrophobicContact CD1-CZ 3.7Å; I618-F637 HydrophobicContact CG2-CB 4.48Å; I618-F637 HydrophobicContact CG2-CD1 4.34Å; I618-F637 HydrophobicContact CG2-CD2 3.93Å; I618-F637 HydrophobicContact CG2-CE2 4.25Å; I618-F637 HydrophobicContact CG2-CG 3.99Å; L627-F637 HydrophobicContact CB-CE2 4.26Å; L627-F637 HydrophobicContact CD1-CE2 4.35Å; L627-F637 HydrophobicContact CD1-CZ 4.34Å; L627-F637 HydrophobicContact CD2-CE2 3.97Å; L627-F637 HydrophobicContact CD2-CZ 4.14Å; L627-F637 HydrophobicContact CG-CE2 4.44Å; K633-F637 WeakPolarHBondContact O-CB 3.32Å; K633-F637 WeakPolarHBondContact O-CD2 3.42Å; K633-F637 PolarHBondContact O-N 3.07Å; F637-K639 PolarHBondContact O-N 3.03Å; F637-F640 HydrophobicContact CB-CD2 4.48Å; F637-F640 HydrophobicContact CD1-CD2 4.12Å; F637-F640 PolarHBondContact O-N 3.4Å; F637-Y641 HydrophobicContact CB-CE1 3.6Å; F637-Y641 WeakPolarHBondContact O-CD1 3.5Å; F637-Y641 VanDerWaalsContact O-CE1 3.3Å; F637-Y641 WeakPolarHBondContact O-CE1 3.37Å
638K94.9Very high85.2Confident121 Ų12192.4 Ų92.453%0.52647%0.471SS..G310 helixtrans-49.9-38.1-176.359.6-175.3-177.7-175.30114.5H634 F640 Y641H634-K638 WeakPolarHBondContact O-CA 3.3Å; H634-K638 WeakPolarHBondContact O-CB 3.46Å; H634-K638 WeakPolarHBondContact O-CG 3.33Å; H634-K638 PolarHBondContact O-N 2.8Å; K638-F640 PolarHBondContact O-N 3.04Å; K638-Y641 HydrophobicContact CB-CD2 4.42Å; K638-Y641 HydrophobicContact CB-CE2 4.34Å; K638-Y641 PolarHBondContact O-N 3.4Å
639K95.3Very high83.5Confident129 Ų12992.1 Ų92.156%0.56148%0.481SS*.G310 helixtrans-70.8-11.5-177.869.2-176.1-173.7179.60114D548 F637D548-K639 IonicContact OD1-NZ 2.69Å; D548-K639 PolarHBondContact OD1-NZ 3.5Å; D548-K639 WeakPolarHBondContact OD2-CE 3.46Å; D548-K639 IonicContact OD2-NZ 3.53Å; D548-K639 PolarHBondContact OD2-NZ 3.17Å; F637-K639 PolarHBondContact O-N 3.03Å
640F95.1Very high82.3Confident28 Ų2891.9 Ų91.912%0.12350%0.495CS..G310 helixtrans-1062.4178.2-51.4-67.5000113.2P544 Y545 D548 L550 F637 K638P544-F640 HydrophobicContact CB-CD1 4.46Å; P544-F640 HydrophobicContact CB-CE1 3.55Å; P544-F640 HydrophobicContact CB-CZ 4.21Å; Y545-F640 HydrophobicContact CD1-CD1 4.41Å; Y545-F640 AromaticContact CD1-CD2 3.77Å; Y545-F640 HydrophobicContact CD1-CD2 3.77Å; Y545-F640 HydrophobicContact CD1-CE1 4.41Å; Y545-F640 AromaticContact CD1-CE2 3.78Å; Y545-F640 HydrophobicContact CD1-CE2 3.78Å; Y545-F640 HydrophobicContact CD1-CG 4.08Å; Y545-F640 HydrophobicContact CD1-CZ 4.05Å; Y545-F640 HydrophobicContact CE1-CB 3.73Å; Y545-F640 AromaticContact CE1-CD1 3.92Å; Y545-F640 HydrophobicContact CE1-CD1 3.92Å; Y545-F640 AromaticContact CE1-CD2 3.45Å; Y545-F640 HydrophobicContact CE1-CD2 3.45Å; Y545-F640 VanDerWaalsContact CE1-CD2 3.45Å; Y545-F640 HydrophobicContact CE1-CE1 4.36Å; Y545-F640 AromaticContact CE1-CE2 3.95Å; Y545-F640 HydrophobicContact CE1-CE2 3.95Å; Y545-F640 AromaticContact CE1-CG 3.41Å; Y545-F640 HydrophobicContact CE1-CG 3.41Å; Y545-F640 VanDerWaalsContact CE1-CG 3.41Å; Y545-F640 HydrophobicContact CE1-CZ 4.33Å; Y545-F640 HydrophobicContact CE2-CD1 4.43Å; Y545-F640 HydrophobicContact CG-CZ 4.41Å; Y545-F640 AromaticContact CZ-CD1 3.93Å; Y545-F640 AromaticContact CZ-CG 3.75Å; Y545-F640 WeakPolarHBondContact OH-CB 3.43Å; D548-F640 WeakPolarHBondContact OD2-CZ 3.39Å; L550-F640 HydrophobicContact CD1-CD2 4.41Å; L550-F640 HydrophobicContact CD1-CE2 3.41Å; L550-F640 VanDerWaalsContact CD1-CE2 3.41Å; L550-F640 HydrophobicContact CD1-CZ 4.03Å; F637-F640 HydrophobicContact CB-CD2 4.48Å; F637-F640 HydrophobicContact CD1-CD2 4.12Å; F637-F640 PolarHBondContact O-N 3.4Å; K638-F640 PolarHBondContact O-N 3.04Å
641Y94.2Very high81.1Confident37 Ų3795 Ų9515%0.14550%0.499CS..SBendtrans-77.1133176.7-61.5-15.6000109.6G615 R619 H634 F637 K638 E643G615-Y641 WeakPolarHBondContact O-CD1 3.18Å; G615-Y641 VanDerWaalsContact O-CE1 3.31Å; G615-Y641 WeakPolarHBondContact O-CE1 3.23Å; R619-Y641 HydrophobicContact CB-CD1 3.98Å; R619-Y641 HydrophobicContact CB-CE1 3.65Å; R619-Y641 HydrophobicContact CB-CE2 4.45Å; R619-Y641 HydrophobicContact CG-CD1 4.47Å; R619-Y641 HydrophobicContact CG-CD2 4.43Å; R619-Y641 HydrophobicContact CG-CE1 4.27Å; R619-Y641 HydrophobicContact CG-CE2 4.19Å; H634-Y641 AromaticContact CE1-CE2 3.91Å; H634-Y641 AromaticContact ND1-CE2 3.53Å; F637-Y641 HydrophobicContact CB-CE1 3.6Å; F637-Y641 WeakPolarHBondContact O-CD1 3.5Å; F637-Y641 VanDerWaalsContact O-CE1 3.3Å; F637-Y641 WeakPolarHBondContact O-CE1 3.37Å; K638-Y641 HydrophobicContact CB-CD2 4.42Å; K638-Y641 HydrophobicContact CB-CE2 4.34Å; K638-Y641 PolarHBondContact O-N 3.4Å; Y641-E643 PolarHBondContact O-N 2.78Å
642T89.4Confident79.8Confident82 Ų82100.4 Ų100.450%0.50352%0.524SS..PPolyproline II helixtrans-70.6120.7173.3-48.80000108.3D616 R619D616-T642 PolarHBondContact OD1-N 2.9Å; D616-T642 WeakPolarHBondContact OD2-CB 3.35Å; D616-T642 PolarHBondContact OD2-OG1 3.47Å; R619-T642 PolarHBondContact NH1-O 3.19Å
643E78.8Confident78.4Confident178 Ų178102.2 Ų102.283%0.83254%0.536SS*.PPolyproline II helixtrans-66.9132.8172.8-67.3-174171.300110Y641 Q645Y641-E643 PolarHBondContact O-N 2.78Å; E643-Q645 PolarHBondContact O-N 3Å
644Q65.9Low77.3Confident163 Ų163107.8 Ų107.876%0.76257%0.572SS**  trans-78109.1173.6-68-176.7-8.200108.5
645Q57.9Low76.4Confident172 Ų172105.5 Ų105.580%0.80457%0.57SS**  trans-66.3129.3171.5-71.8-171.9-7.700109.5E643 T647E643-Q645 PolarHBondContact O-N 3Å; Q645-T647 PolarHBondContact O-N 2.62Å; Q645-T647 VanDerWaalsContact O-N 3.08Å
646P58.9Low75.8Confident115 Ų115104.8 Ų104.875%0.74757%0.57SS**  trans-63.4114.5172.423.7-29.6000108.8N648P646-N648 PolarHBondContact O-N 3.03Å; P646-N648 VanDerWaalsContact O-N 3.1Å
647T55.6Low75.4Confident75 Ų75110.4 Ų110.446%0.4659%0.593SS.*  trans-73.7101.3178.449.60000109.5Q645 S649 P653Q645-T647 PolarHBondContact O-N 2.62Å; Q645-T647 VanDerWaalsContact O-N 3.08Å; T647-S649 PolarHBondContact O-N 3.42Å; T647-P653 HydrophobicContact CG2-CB 4.33Å
648N56.8Low75Confident168 Ų168111.1 Ų111.190%0.89860%0.598SS**THydrogen-bonded Turntrans-67.516170.9-79.9-11.8000113.9P646P646-N648 PolarHBondContact O-N 3.03Å; P646-N648 VanDerWaalsContact O-N 3.1Å
649S59.3Low74.6Confident77 Ų77113.6 Ų113.654%0.53861%0.608SS.*THydrogen-bonded Turntrans-103.62.3-162.9-170.30000115.1T647 Y651T647-S649 PolarHBondContact O-N 3.42Å; S649-Y651 WeakPolarHBondContact O-CD2 3.46Å; S649-Y651 PolarHBondContact O-N 3.27Å; S649-Y651 WeakPolarHBondContact OG-CD2 3.41Å
650G66.4Low74Confident84 Ų84109.4 Ų109.487%0.86659%0.593SS**SBendtrans67.2-3.6-177.700000115.5
651Y66.3Low73.1Confident184 Ų184111.3 Ų111.372%0.72262%0.621SS**SBendtrans-92.7143.6170.7-65.6-80.5000110.7S649S649-Y651 WeakPolarHBondContact O-CD2 3.46Å; S649-Y651 PolarHBondContact O-N 3.27Å; S649-Y651 WeakPolarHBondContact OG-CD2 3.41Å
652I69Low71.7Confident161 Ų161115.9 Ų115.983%0.82665%0.653SS**PPolyproline II helixtrans-79.5122.1174.6-57.8172.8000108.1
653P68.2Low69.9Low89 Ų89117.9 Ų117.958%0.57867%0.665SS**PPolyproline II helixtrans-69.3140.5179.927.2-33000111.6T647T647-P653 HydrophobicContact CG2-CB 4.33Å
654V71.5Confident68.1Low144 Ų144114.5 Ų114.587%0.87366%0.658SS**PPolyproline II helixtrans-91.5137.4172179.30000108.9
655S76.3Confident66.7Low75 Ų75115.3 Ų115.352%0.52466%0.662SS.*  trans-126.8136.8176.772.50000111.7
656L82.4Confident65.6Low109 Ų109115 Ų11557%0.57166%0.664SS**  trans-86.3141.6168.6-67.5170.6000108.8I611 R612I611-L656 HydrophobicContact CG2-CD1 4.02Å; R612-L656 PolarHBondContact NH1-O 2.84Å; R612-L656 PolarHBondContact NH2-O 3.36Å
657Q85.2Confident64.3Low127 Ų127116.3 Ų116.359%0.59367%0.665SS**  trans-129.2141.5175.7-70.8-175.1-8.300110.4D620D620-Q657 WeakPolarHBondContact OD2-CA 3.36Å
658T87Confident63.6Low16 Ų16116.4 Ų116.410%0.09868%0.681CS.*  trans-87.2128.9172-53.40000109.5F604 R617 D620 I621F604-T658 HydrophobicContact CE1-CG2 4.42Å; F604-T658 HydrophobicContact CZ-CG2 4.29Å; R617-T658 HydrophobicContact CB-CG2 4.49Å; R617-T658 WeakPolarHBondContact CG-OG1 3.38Å; D620-T658 WeakPolarHBondContact CB-O 3.18Å; D620-T658 PolarHBondContact OD2-N 2.78Å; D620-T658 VanDerWaalsContact OD2-N 3.07Å; I621-T658 HydrophobicContact CD1-CG2 4.31Å; I621-T658 HydrophobicContact CG1-CG2 4.2Å
659K86.6Confident62.7Low173 Ų173112.4 Ų112.475%0.75267%0.666SS**  trans-127.5141172.8-69.1-172.1176-1760109.4
660V83.7Confident61.3Low40 Ų40117.7 Ų117.724%0.24268%0.682CS.*PPolyproline II helixtrans-79.6130172.5-175.70000107.8I601 I621I601-V660 HydrophobicContact CD1-CG2 3.67Å; I601-V660 HydrophobicContact CG1-CG2 4.28Å; I621-V660 HydrophobicContact CG1-CG2 4.18Å; I621-V660 HydrophobicContact CG2-CG2 3.74Å
661G76.2Confident59.8Low69 Ų69121.9 Ų121.971%0.71168%0.683SS**PPolyproline II helixtrans-73139.7174.700000110.8
662T63.5Low58.1Low132 Ų132118.8 Ų118.881%0.8169%0.688SS**PPolyproline II helixtrans-78134.6166.848.10000108.9
663V53.5Low56.2Low124 Ų124114.9 Ų114.975%0.75269%0.688SS**PPolyproline II helixtrans-55.3126.9168.6-177.10000107E665V663-E665 PolarHBondContact O-N 3.08Å; V663-E665 VanDerWaalsContact O-N 3.1Å
664P39.6Very low54.6Low107 Ų107119.9 Ų119.970%0.69570%0.703SS**PPolyproline II helixtrans-61.4118.9176.5-15.427.5000108.3I666P664-I666 PolarHBondContact O-N 3.1Å; P664-I666 VanDerWaalsContact O-N 3.1Å
665E36.6Very low52.5Low181 Ų181121.5 Ų121.585%0.84671%0.706SS**PPolyproline II helixtrans-56.5117.3157.3-73.4-178.7162.900105.7V663 D667V663-E665 PolarHBondContact O-N 3.08Å; V663-E665 VanDerWaalsContact O-N 3.1Å; E665-D667 PolarHBondContact O-N 3.1Å
666I34.8Very low50.3Low166 Ų166123.1 Ų123.185%0.85172%0.717SS**  trans-68.488.6172.6-59.7174000105.3P664 G668P664-I666 PolarHBondContact O-N 3.1Å; P664-I666 VanDerWaalsContact O-N 3.1Å; I666-G668 PolarHBondContact O-N 3.08Å; I666-G668 VanDerWaalsContact O-N 3.08Å
667D32.2Very low47.7Very low141 Ų141122.1 Ų122.175%0.75473%0.725SS**  trans-64.2110.9169.9-128-7.4000106.4E665 S669E665-D667 PolarHBondContact O-N 3.1Å; D667-S669 PolarHBondContact O-N 2.77Å
668G39.9Very low45Very low77 Ų77123.5 Ų123.579%0.79474%0.735SS**SBendtrans-6972.7-178.400000111.4I666I666-G668 PolarHBondContact O-N 3.08Å; I666-G668 VanDerWaalsContact O-N 3.08Å
669S38.3Very low42Very low85 Ų85130.3 Ų130.359%0.59477%0.771SS**  trans-158.7123.6158.760.50000111.3D667D667-S669 PolarHBondContact O-N 2.77Å
670H30.7Very low39.2Very low188 Ų188128.2 Ų128.287%0.8777%0.773SS**  trans87.885.1173.9-60.5-68.3000117.9
671I34.1Very low36.6Very low171 Ų171133.8 Ų133.888%0.87780%0.796SS**  trans-82.3123.1152.2-61.3173000108.7
672S30.8Very low34.3Very low120 Ų120136.5 Ų136.584%0.83979%0.794SS**  -174107.5128.159.70000110.6
673G28.5Very low32.6Very low79 Ų79135.9 Ų135.981%0.81479%0.79SS**  trans163.494.9170.600000112.7
674E35.5Very low31.5Very low193 Ų193139.2 Ų139.290%0.90279%0.791SS**  trans-34129.1-178.8-65.2168.7148.200117.2
675L27.7Very low30.9Very low178 Ų178139.8 Ų139.893%0.93280%0.795SS**  trans-153.6119.4143.4-106.4141.2000110
676S28.9Very low30.7Very low109 Ų109138.6 Ų138.676%0.76279%0.793SS**  trans-81.9145.5-177.7410000113.1
677A28.1Very low30.6Very low89 Ų89137.4 Ų137.474%0.73679%0.789SS**  trans96.2110.9153.400000119.5
678L28.1Very low30.5Very low155 Ų155137.6 Ų137.681%0.81280%0.795SS**  trans81.9100.6140.6-63.6161.2000119
679N24.8Very low29.9Very low159 Ų159142.1 Ų142.185%0.8580%0.8SS**  trans-145.3122.1134.9-100.5-14.5000108.4
680V28.9Very low29.6Very low129 Ų129143.6 Ų143.678%0.78281%0.808SS**  trans-96107.6163.4176.70000105.2
681E28.3Very low29.4Very low158 Ų158142.2 Ų142.274%0.73881%0.807SS**  trans-76.4122.7169.7-70.6178.9155.200108.8
682D27.2Very low29.2Very low125 Ų125142.4 Ų142.467%0.66881%0.808SS**  trans-108.687.4156.7-83.1-24.9000107.6Y684D682-Y684 HydrophobicContact CB-CD2 4.48Å; D682-Y684 HydrophobicContact CB-CE2 3.98Å
683T29.1Very low29Very low119 Ų119144.1 Ų144.173%0.7381%0.808SS**  trans-85.6110.216125.40000107.6P685T683-P685 WeakPolarHBondContact O-CD 3.21Å
684Y28.6Very low28.9Very low195 Ų195143.7 Ų143.777%0.76580%0.804SS**PPolyproline II helixtrans-86.5123.5171.8-75.1-85.7000110.1D682D682-Y684 HydrophobicContact CB-CD2 4.48Å; D682-Y684 HydrophobicContact CB-CE2 3.98Å
685P28.1Very low28.4Very low119 Ų119143.2 Ų143.277%0.77381%0.806SS**PPolyproline II helixtrans-70.2137.3166.7-11.326.9000110.4T683 D687T683-P685 WeakPolarHBondContact O-CD 3.21Å; P685-D687 PolarHBondContact O-N 2.92Å
686L32.2Very low28.2Very low155 Ų155139.6 Ų139.681%0.81280%0.796SS**PPolyproline II helixtrans-63.3118158.3-98.984000107.9
687D32.3Very low28.1Very low142 Ų142142.3 Ų142.376%0.75980%0.799SS**  trans165106.9133.1-84.2-20.9000109.6P685P685-D687 PolarHBondContact O-N 2.92Å
688T29.8Very low28Very low145 Ų145144.7 Ų144.789%0.8980%0.799SS**  trans165.988.3143.432.70000109.5
689L29.1Very low27.9Very low172 Ų172141.1 Ų141.190%0.90179%0.792SS**PPolyproline II helixtrans-98.5124.7154.5-83.9160.3000106.7
690P31.1Very low28Very low115 Ų115141.2 Ų141.275%0.74779%0.792SS**PPolyproline II helixtrans-77.3131.7165.81.214.3000110L692P690-L692 PolarHBondContact O-N 2.98Å
691D27.1Very low27.8Very low159 Ų159140 Ų14085%0.8579%0.789SS**PPolyproline II helixtrans-49.9122.1166.9-85.7-43.4000111.7
692L29.6Very low27.8Very low175 Ų175139.1 Ų139.192%0.91679%0.789SS**  trans-93.794.2164.2-93.6158.3000108.5P690P690-L692 PolarHBondContact O-N 2.98Å
693N26.6Very low28.1Very low156 Ų156138.7 Ų138.783%0.83479%0.793SS**  trans-130.9115.5162.4-99.4-26.1000110.1
694G25.3Very low28.2Very low70 Ų70140.6 Ų140.672%0.72280%0.797SS**  trans91105.3156.200000116
695L26.6Very low28.6Very low183 Ų183136.5 Ų136.596%0.95879%0.794SS**  -168.3117.4121.3-96.5160.7000109.3
696S23.5Very low29.6Very low102 Ų102135.9 Ų135.971%0.71379%0.79SS**  trans-88.3170.3165.465.90000110.9
697M26.4Very low29.4Very low166 Ų166136.3 Ų136.382%0.81879%0.794SS**  trans93.6134.6174-63.7-174.1151.200114.2
698D25.7Very low29.1Very low140 Ų140133 Ų13375%0.74979%0.793SS**  cis-166.4167.1-8.1-113.5-27.9000108.4
699A26.2Very low28.9Very low79 Ų79134.1 Ų134.165%0.65379%0.79SS**  trans-45.7152.2-177.600000119
700N25.7Very low28.8Very low161 Ų161133.4 Ų133.486%0.86178%0.782SS**  -167.8121.3118.8-94.9-26.1000114.5
701C25.2Very low28.6Very low104 Ų104138.6 Ų138.670%0.70379%0.788SS**  trans-36.5160.5148.9-80.80000115
702D27.5Very low28.5Very low140 Ų140137 Ų13775%0.74978%0.78SS**  cis-166.2-150.12.2-86.8-31.7000105.3
703P34.9Very low28.3Very low116 Ų116138 Ų13875%0.75378%0.777SS**  -123.4178-89.239.1-21.3000115.5
704I31.2Very low28.2Very low158 Ų158139.6 Ų139.681%0.8177%0.773SS**  trans-37.6171.9164.5-9.4177.7000115.3
705P36.7Very low28.1Very low110 Ų110145.9 Ų145.971%0.71478%0.78SS**  cis-149.4-13716.733.3-2.2000115.8
706P48.4Very low27.9Very low105 Ų105143.1 Ų143.168%0.68277%0.767SS**  -124.6-170.2-93.240.5-20.9000114.3
707D28.2Very low28Very low165 Ų165145.2 Ų145.288%0.88277%0.765SS**  trans125.2141.3152.7-74.7-16.4000117
708G27Very low28Very low72 Ų72145.7 Ų145.774%0.74276%0.763SS**  trans135.878.9139.400000119.3
709M26Very low28Very low169 Ų169142.9 Ų142.983%0.83376%0.76SS**  trans31.5133.4136.6-71.6-160.4-71.600123.9
710E26.1Very low28Very low156 Ų156148.3 Ų148.373%0.72977%0.768SS**  trans47.1129.9130.7-64.9-178.4160.100121.1
711Y27.2Very low28.1Very low224 Ų224147.6 Ų147.688%0.87876%0.764SS**  -152.6118.1123.9-97.1-75.3000110.9
712D24.8Very low28.3Very low127 Ų127147.6 Ų147.668%0.67977%0.766SS**  trans-57147.6157.5-83.1-42.8000111.6
713F25.2Very low28.5Very low195 Ų195151.6 Ų151.686%0.85580%0.795SS**  trans-150.6114.9139.8-101.4-73.8000112
714Y23.8Very low28.2Very low189 Ų189153.4 Ų153.474%0.74180%0.798SS**  trans-62.5146.3162.3-90.4-101.5000112.6
715F24Very low28Very low202 Ų202153.1 Ų153.189%0.88680%0.797SS**  trans-17896.5136.3-107.8-76000107.1
716N23.3Very low27.5Very low125 Ų125155.5 Ų155.567%0.66880%0.801SS**  64.8122.673.9-127.817.7000115.5
717E25.3Very low26.3Very low147 Ų147158.5 Ų158.569%0.68781%0.808SS**  trans101111.1142.2-63.4-147.1131.800123.4
718F25.1Very low26.2Very low175 Ų175158.1 Ų158.177%0.76880%0.804SS**  72.4110.2124.9-78.8-90.8000122.9
719A25.5Very low26.2Very low82 Ų82163.8 Ų163.868%0.67881%0.808SS**  52.4125.8111.700000121.4
720K27.7Very low26.2Very low192 Ų192163.4 Ų163.484%0.83581%0.806SS**  176.3118.1120.2-96.6166.3-178.5176.70108.5
721N26.4Very low26.2Very low146 Ų146164 Ų16478%0.78181%0.812SS**  66.7119.693.5-91.33.4000115.5
722S28.9Very low26.1Very low104 Ų104159 Ų15973%0.72781%0.807SS**  trans74.897135.2-47.30000118.6
723T32.9Very low26.2Very low224 Ų224161.9 Ų161.9100%1.37482%0.818SS**  -1600113.9210000109.9

Retrieved 723 of 723 residues in 1064.9 ms (Link to these results)

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