A0A087X895_POEFO Loading...

Serine/threonine-protein kinase TBK1

AlphaFold DB , UniProt , Accession A0A087X895, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 721 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M88.7Confident95.9Very high151 Ų15157.9 Ų57.974%0.74431%0.306SS*.  0140.10-178.6176.270.200107.6L8 W9 L10M1-L8 HydrophobicContact SD-CD1 4.47Å; M1-W9 WeakPolarHBondContact CA-O 3.1Å; M1-L10 HydrophobicContact CB-CD2 3.94Å; M1-L10 HydrophobicContact CG-CD2 4.06Å
2Q95.4Very high95.7Very high54 Ų5461.5 Ų61.525%0.25234%0.34SS..EExtended strand (participates in β ladder)trans-125.5160.7174.8-73176-21.900109.1L8 W9Q2-L8 WeakPolarHBondContact O-CA 3.24Å; Q2-W9 HydrophobicContact CB-CD2 4.23Å; Q2-W9 VanDerWaalsContact CB-CE2 3.49Å; Q2-W9 HydrophobicContact CB-CH2 4.39Å; Q2-W9 HydrophobicContact CB-CZ2 3.59Å; Q2-W9 PolarHBondContact N-O 3.09Å; Q2-W9 PolarHBondContact O-N 3.25Å
3S96.9Very high95.6Very high25 Ų2560 Ų6018%0.17533%0.331CS..EExtended strand (participates in β ladder)trans-155.6160.1-177.862.80000113.6Y7 T77S3-Y7 CarbonylContact C-O 3.6Å; S3-Y7 VanDerWaalsContact CA-O 3.26Å; S3-Y7 WeakPolarHBondContact CA-O 3.45Å; S3-Y7 VanDerWaalsContact CB-O 3.26Å; S3-Y7 WeakPolarHBondContact CB-O 3.4Å; S3-T77 VanDerWaalsContact C-OG1 3.3Å; S3-T77 WeakPolarHBondContact O-CB 3.48Å; S3-T77 PolarHBondContact O-N 3.04Å; S3-T77 PolarHBondContact O-OG1 3.25Å; S3-T77 PolarHBondContact OG-OG1 3.39Å
4T97.3Very high95.5Very high0 Ų061.1 Ų61.10%034%0.335CS..  trans-108.9-169.2162.464.20000109.5N6 Y7 W9 K29 E74 E75 V83T4-N6 VanDerWaalsContact C-N 3.34Å; T4-N6 PolarHBondContact O-N 2.96Å; T4-N6 PolarHBondContact OG1-N 3.03Å; T4-Y7 PolarHBondContact N-O 3.23Å; T4-Y7 PolarHBondContact OG1-N 2.91Å; T4-Y7 PolarHBondContact OG1-O 3Å; T4-W9 HydrophobicContact CG2-CH2 3.87Å; T4-W9 HydrophobicContact CG2-CZ3 3.84Å; T4-K29 WeakPolarHBondContact O-CE 3.18Å; T4-K29 PolarHBondContact O-NZ 2.89Å; T4-E74 WeakPolarHBondContact CB-OE2 3.38Å; T4-E74 HydrophobicContact CG2-CB 3.81Å; T4-E74 PolarHBondContact OG1-OE2 3.49Å; T4-E75 WeakPolarHBondContact CA-O 3.35Å; T4-E75 WeakPolarHBondContact CB-O 3.47Å; T4-E75 WeakPolarHBondContact CG2-O 3.47Å; T4-V83 HydrophobicContact CG2-CG2 3.38Å
5T96.4Very high95.3Very high109 Ų10962.6 Ų62.667%0.66934%0.342SS*.SBendtrans-53.2-50.4171-56.40000111.5K29T5-K29 WeakPolarHBondContact O-CD 3.49Å; T5-K29 PolarHBondContact O-NZ 3.2Å
6N97.6Very high94.9Very high54 Ų5460.6 Ų60.629%0.28934%0.34SS..SBendtrans-109.6-11.5-171.3-59.8-57.1000115.3T4 H28 K29 E74T4-N6 VanDerWaalsContact C-N 3.34Å; T4-N6 PolarHBondContact O-N 2.96Å; T4-N6 PolarHBondContact OG1-N 3.03Å; N6-H28 PolarHBondContact O-CD2 3.28Å; N6-K29 WeakPolarHBondContact O-CB 3.14Å; N6-K29 WeakPolarHBondContact O-CG 3.42Å; N6-K29 PolarHBondContact O-N 2.76Å; N6-E74 WeakPolarHBondContact CB-OE1 3.37Å; N6-E74 PolarHBondContact N-OE2 2.99Å; N6-E74 VanDerWaalsContact N-OE2 3.11Å; N6-E74 PolarHBondContact ND2-OE1 3.11Å
7Y97.9Very high94.4Very high19 Ų1966.3 Ų66.38%0.07536%0.363CS..EExtended strand (participates in β ladder)trans-126.4154.7-174.3-57.5-93.3000112.2S3 T4 R27 H28 K29 Y35 A72 E74 V85S3-Y7 CarbonylContact C-O 3.6Å; S3-Y7 VanDerWaalsContact CA-O 3.26Å; S3-Y7 WeakPolarHBondContact CA-O 3.45Å; S3-Y7 VanDerWaalsContact CB-O 3.26Å; S3-Y7 WeakPolarHBondContact CB-O 3.4Å; T4-Y7 PolarHBondContact N-O 3.23Å; T4-Y7 PolarHBondContact OG1-N 2.91Å; T4-Y7 PolarHBondContact OG1-O 3Å; Y7-R27 WeakPolarHBondContact CA-O 3.4Å; Y7-H28 HydrophobicContact CD1-CB 3.95Å; Y7-H28 HydrophobicContact CE1-CB 3.74Å; Y7-H28 AromaticContact CE1-CD2 3.69Å; Y7-H28 AromaticContact CZ-CD2 3.73Å; Y7-K29 WeakPolarHBondContact O-CE 3.2Å; Y7-Y35 AromaticContact CD1-CD2 3.94Å; Y7-Y35 HydrophobicContact CD1-CD2 3.94Å; Y7-Y35 HydrophobicContact CD1-CE2 4.42Å; Y7-Y35 HydrophobicContact CD1-CG 4.3Å; Y7-Y35 HydrophobicContact CE1-CD1 4.3Å; Y7-Y35 AromaticContact CE1-CD2 3.62Å; Y7-Y35 HydrophobicContact CE1-CD2 3.62Å; Y7-Y35 HydrophobicContact CE1-CE1 4.38Å; Y7-Y35 AromaticContact CE1-CE2 3.74Å; Y7-Y35 HydrophobicContact CE1-CE2 3.74Å; Y7-Y35 AromaticContact CE1-CG 3.92Å; Y7-Y35 HydrophobicContact CE1-CG 3.92Å; Y7-A72 HydrophobicContact CE2-CB 4.48Å; Y7-E74 WeakPolarHBondContact CE2-OE1 3.47Å; Y7-V85 HydrophobicContact CD1-CG1 3.89Å; Y7-V85 HydrophobicContact CD2-CG1 4.36Å; Y7-V85 HydrophobicContact CD2-CG2 3.76Å; Y7-V85 HydrophobicContact CE1-CG1 3.54Å; Y7-V85 HydrophobicContact CE2-CB 4.39Å; Y7-V85 HydrophobicContact CE2-CG1 4.06Å; Y7-V85 HydrophobicContact CE2-CG2 3.88Å; Y7-V85 HydrophobicContact CG-CG1 4.3Å; Y7-V85 HydrophobicContact CG-CG2 4.13Å
8L97.5Very high93.7Very high54 Ų5464.7 Ų64.728%0.28337%0.365SS..EExtended strand (participates in β ladder)trans-139.1152.9172.168.282.9000111.4M1 Q2 G26 R27 K29M1-L8 HydrophobicContact SD-CD1 4.47Å; Q2-L8 WeakPolarHBondContact O-CA 3.24Å; L8-G26 CarbonylContact O-C 3.37Å; L8-G26 WeakPolarHBondContact O-CA 3Å; L8-R27 PolarHBondContact N-O 2.86Å; L8-R27 PolarHBondContact O-N 2.61Å; L8-K29 HydrophobicContact CD2-CG 4.07Å; L8-K29 HydrophobicContact CG-CG 4.44Å
9W97.6Very high92.9Very high2 Ų265.8 Ų65.81%0.00838%0.383CS..EExtended strand (participates in β ladder)trans-148.6156.6175.859.498.1000112M1 Q2 T4 Y24 V37 V39 E76 V83M1-W9 WeakPolarHBondContact CA-O 3.1Å; Q2-W9 HydrophobicContact CB-CD2 4.23Å; Q2-W9 VanDerWaalsContact CB-CE2 3.49Å; Q2-W9 HydrophobicContact CB-CH2 4.39Å; Q2-W9 HydrophobicContact CB-CZ2 3.59Å; Q2-W9 PolarHBondContact N-O 3.09Å; Q2-W9 PolarHBondContact O-N 3.25Å; T4-W9 HydrophobicContact CG2-CH2 3.87Å; T4-W9 HydrophobicContact CG2-CZ3 3.84Å; W9-Y24 AromaticContact CD1-CD2 3.65Å; W9-Y24 AromaticContact CD1-CG 3.46Å; W9-Y24 VanDerWaalsContact CD1-CG 3.46Å; W9-Y24 HydrophobicContact CG-CG 4.27Å; W9-Y24 AromaticContact NE1-CD2 3.67Å; W9-Y24 AromaticContact NE1-CG 3.99Å; W9-V37 HydrophobicContact CD2-CB 4.36Å; W9-V37 HydrophobicContact CD2-CG1 4.17Å; W9-V37 HydrophobicContact CE3-CB 4.18Å; W9-V37 HydrophobicContact CE3-CG1 3.83Å; W9-V37 HydrophobicContact CE3-CG2 4.08Å; W9-V37 HydrophobicContact CH2-CG1 4.03Å; W9-V37 HydrophobicContact CZ2-CG1 4.33Å; W9-V37 HydrophobicContact CZ3-CG1 3.77Å; W9-V39 HydrophobicContact CH2-CG2 4.37Å; W9-V39 HydrophobicContact CZ2-CG2 3.55Å; W9-E76 HydrophobicContact CH2-CG 4.02Å; W9-E76 HydrophobicContact CZ2-CG 4.04Å; W9-V83 HydrophobicContact CH2-CG1 4.41Å
10L96.4Very high92.3Very high74 Ų7464.5 Ų64.539%0.38738%0.376SS..EExtended strand (participates in β ladder)trans-95.5142.5171.9-59.6178.8000109.6M1 S12 D13M1-L10 HydrophobicContact CB-CD2 3.94Å; M1-L10 HydrophobicContact CG-CD2 4.06Å; L10-S12 PolarHBondContact O-N 3.07Å; L10-D13 HydrophobicContact CB-CB 4.27Å; L10-D13 PolarHBondContact O-N 2.76Å; L10-D13 VanDerWaalsContact O-N 3.07Å
11I93.2Very high92.2Very high95 Ų9561.6 Ų61.649%0.48736%0.359SS..EExtended strand (participates in β ladder)trans-66.6-27.5178.1-60.3173.5000110.6D13 Y24I11-D13 VanDerWaalsContact C-N 3.27Å; I11-D13 PolarHBondContact O-N 3.32Å; I11-Y24 HydrophobicContact CG2-CE1 4.39Å; I11-Y24 WeakPolarHBondContact O-CE1 3.21Å
12S93.1Very high92.4Very high101 Ų10156.1 Ų56.171%0.70633%0.333SS*.EExtended strand (participates in β ladder)trans-70.7-19.9174.253.50000113.6L10 L14L10-S12 PolarHBondContact O-N 3.07Å; S12-L14 PolarHBondContact O-N 3.16Å; S12-L14 VanDerWaalsContact O-N 3.17Å
13D94.8Very high92.4Very high42 Ų4255 Ų5523%0.22533%0.33CS..EExtended strand (participates in β ladder)trans-8944.6179.9-78.2-38.3000111.4L10 I11 L15 Y24 R25L10-D13 HydrophobicContact CB-CB 4.27Å; L10-D13 PolarHBondContact O-N 2.76Å; L10-D13 VanDerWaalsContact O-N 3.07Å; I11-D13 VanDerWaalsContact C-N 3.27Å; I11-D13 PolarHBondContact O-N 3.32Å; D13-L15 PolarHBondContact O-N 3.09Å; D13-Y24 CarbonylContact O-C 3.48Å; D13-Y24 WeakPolarHBondContact O-CA 3.11Å; D13-R25 HydrophobicContact CB-CB 4.15Å; D13-R25 PolarHBondContact O-N 3.43Å; D13-R25 IonicContact OD1-CZ 3.56Å; D13-R25 IonicContact OD1-NE 2.74Å; D13-R25 IonicContact OD1-NH2 3.79Å; D13-R25 PolarHBondContact OD1-NH2 2.88Å; D13-R25 IonicContact OD2-NH2 2.66Å
14L94.4Very high92.4Very high76 Ų7654.8 Ų54.840%0.39833%0.326SS..EExtended strand (participates in β ladder)trans-72.2124.3178.9-175.871.8000110.2S12 G16 Q17 N22 Y24S12-L14 PolarHBondContact O-N 3.16Å; S12-L14 VanDerWaalsContact O-N 3.17Å; L14-G16 WeakPolarHBondContact CD1-O 3.25Å; L14-Q17 HydrophobicContact CD2-CB 4.37Å; L14-N22 HydrophobicContact CD1-CB 3.89Å; L14-Y24 HydrophobicContact CB-CD1 4.29Å; L14-Y24 HydrophobicContact CB-CE1 4.22Å; L14-Y24 HydrophobicContact CD1-CD1 4.01Å; L14-Y24 HydrophobicContact CD1-CE1 3.6Å
15L92.9Very high92.4Very high83 Ų8358.9 Ų58.944%0.43534%0.341SS..EExtended strand (participates in β ladder)trans-94-37.4175.7-63.6176.7000112D13 V23 R25 A36 Y88D13-L15 PolarHBondContact O-N 3.09Å; L15-V23 WeakPolarHBondContact CA-O 3.31Å; L15-V23 HydrophobicContact CB-CG1 4.35Å; L15-V23 WeakPolarHBondContact CB-O 3.14Å; L15-V23 HydrophobicContact CD1-CG1 4.38Å; L15-V23 PolarHBondContact N-O 3.21Å; L15-R25 HydrophobicContact CD1-CB 3.97Å; L15-R25 HydrophobicContact CD2-CB 4.03Å; L15-R25 HydrophobicContact CG-CB 4Å; L15-A36 HydrophobicContact CD1-CB 4.27Å; L15-Y88 HydrophobicContact CD1-CD2 3.81Å; L15-Y88 HydrophobicContact CD1-CE2 3.73Å; L15-Y88 HydrophobicContact CD2-CE2 3.92Å; L15-Y88 HydrophobicContact CG-CE2 4.5Å
16G88Confident92.5Very high30 Ų3053.8 Ų53.831%0.30931%0.31SS..EExtended strand (participates in β ladder)trans-159.4146.8-17800000112.2L14 V23L14-G16 WeakPolarHBondContact CD1-O 3.25Å; G16-V23 PolarHBondContact N-O 3.31Å; G16-V23 PolarHBondContact O-N 3.25Å
17Q87.1Confident92.5Very high158 Ų15856.9 Ų56.974%0.73832%0.318SS*.EExtended strand (participates in β ladder)trans-121.7125.5178.4179.5170.623.100109.4L14 N22L14-Q17 HydrophobicContact CD2-CB 4.37Å; Q17-N22 WeakPolarHBondContact CG-OD1 3.27Å
18G80.9Confident92.5Very high38 Ų3857.5 Ų57.539%0.39232%0.321SS..  trans-123.1172.2175.700000112T20 A21G18-T20 PolarHBondContact O-N 3.45Å; G18-A21 WeakPolarHBondContact CA-O 3.5Å; G18-A21 PolarHBondContact N-O 3.44Å
19A78.6Confident92.5Very high85 Ų8559.5 Ų59.570%0.70233%0.328SS*.SBendtrans-65.1-27.617800000112.9N41A19-N41 PolarHBondContact O-ND2 3.07Å
20T81.4Confident92.5Very high39 Ų3967.9 Ų67.924%0.23936%0.364CS..SBendtrans-111.7-18.3-171.752.80000113.8G18 N41 S44G18-T20 PolarHBondContact O-N 3.45Å; T20-N41 PolarHBondContact O-N 3.24Å; T20-N41 VanDerWaalsContact O-N 3.1Å; T20-N41 PolarHBondContact O-OD1 3.37Å; T20-S44 WeakPolarHBondContact CB-OG 3.45Å; T20-S44 WeakPolarHBondContact O-CB 3.41Å; T20-S44 PolarHBondContact O-OG 2.93Å
21A89.3Confident92.6Very high4 Ų468.2 Ų68.23%0.03337%0.369CS..EExtended strand (participates in β ladder)trans-160.6159.6-175.300000112.2G18 K38 V39 F40G18-A21 WeakPolarHBondContact CA-O 3.5Å; G18-A21 PolarHBondContact N-O 3.44Å; A21-K38 HydrophobicContact CB-CD 4.17Å; A21-K38 VanDerWaalsContact CB-CE 3.49Å; A21-K38 HydrophobicContact CB-CG 3.63Å; A21-V39 CarbonylContact C-O 3.5Å; A21-V39 VanDerWaalsContact CA-O 3.26Å; A21-V39 WeakPolarHBondContact CA-O 3.42Å; A21-V39 WeakPolarHBondContact CB-O 3.45Å; A21-F40 HydrophobicContact CB-CD1 4Å; A21-F40 HydrophobicContact CB-CE1 4.42Å; A21-F40 HydrophobicContact CB-CG 4.46Å
22N92.8Very high92.7Very high36 Ų3665.2 Ų65.219%0.19336%0.362CS..EExtended strand (participates in β ladder)trans-112.6144.2167.1-67.7-23000109.2L14 Q17 Y24 K38 V39L14-N22 HydrophobicContact CD1-CB 3.89Å; Q17-N22 WeakPolarHBondContact CG-OD1 3.27Å; N22-Y24 HydrophobicContact CB-CD2 4.37Å; N22-Y24 HydrophobicContact CB-CE2 3.49Å; N22-Y24 VanDerWaalsContact CB-CE2 3.49Å; N22-Y24 WeakPolarHBondContact CB-OH 3.33Å; N22-Y24 PolarHBondContact ND2-OH 3.49Å; N22-Y24 VanDerWaalsContact ND2-OH 3.12Å; N22-K38 CarbonylContact O-C 3.56Å; N22-K38 WeakPolarHBondContact O-CA 3.29Å; N22-V39 PolarHBondContact N-O 3.01Å; N22-V39 PolarHBondContact O-N 3.49Å
23V95.7Very high93Very high32 Ų3264.5 Ų64.519%0.19435%0.35CS..EExtended strand (participates in β ladder)trans-112.4125.9177.2-173.30000108.7L15 G16 A36 V37 K38 M86L15-V23 WeakPolarHBondContact CA-O 3.31Å; L15-V23 HydrophobicContact CB-CG1 4.35Å; L15-V23 WeakPolarHBondContact CB-O 3.14Å; L15-V23 HydrophobicContact CD1-CG1 4.38Å; L15-V23 PolarHBondContact N-O 3.21Å; G16-V23 PolarHBondContact N-O 3.31Å; G16-V23 PolarHBondContact O-N 3.25Å; V23-A36 HydrophobicContact CG1-CB 4.03Å; V23-V37 WeakPolarHBondContact CA-O 3.45Å; V23-K38 HydrophobicContact CG2-CB 4.11Å; V23-K38 HydrophobicContact CG2-CD 4.37Å; V23-K38 HydrophobicContact CG2-CG 3.98Å; V23-M86 HydrophobicContact CG1-CE 4.47Å
24Y97.3Very high93.1Very high20 Ų2065.7 Ų65.78%0.07836%0.356CS..EExtended strand (participates in β ladder)trans-116.6151.7-178.7-59.7-85.9000111.3W9 I11 D13 L14 N22 G26 A36 V37 V39W9-Y24 AromaticContact CD1-CD2 3.65Å; W9-Y24 AromaticContact CD1-CG 3.46Å; W9-Y24 VanDerWaalsContact CD1-CG 3.46Å; W9-Y24 HydrophobicContact CG-CG 4.27Å; W9-Y24 AromaticContact NE1-CD2 3.67Å; W9-Y24 AromaticContact NE1-CG 3.99Å; I11-Y24 HydrophobicContact CG2-CE1 4.39Å; I11-Y24 WeakPolarHBondContact O-CE1 3.21Å; D13-Y24 CarbonylContact O-C 3.48Å; D13-Y24 WeakPolarHBondContact O-CA 3.11Å; L14-Y24 HydrophobicContact CB-CD1 4.29Å; L14-Y24 HydrophobicContact CB-CE1 4.22Å; L14-Y24 HydrophobicContact CD1-CD1 4.01Å; L14-Y24 HydrophobicContact CD1-CE1 3.6Å; N22-Y24 HydrophobicContact CB-CD2 4.37Å; N22-Y24 HydrophobicContact CB-CE2 3.49Å; N22-Y24 VanDerWaalsContact CB-CE2 3.49Å; N22-Y24 WeakPolarHBondContact CB-OH 3.33Å; N22-Y24 PolarHBondContact ND2-OH 3.49Å; N22-Y24 VanDerWaalsContact ND2-OH 3.12Å; Y24-G26 PolarHBondContact O-N 2.83Å; Y24-A36 CarbonylContact O-C 3.54Å; Y24-A36 WeakPolarHBondContact O-CA 2.91Å; Y24-V37 PolarHBondContact N-O 2.77Å; Y24-V37 PolarHBondContact O-N 3.45Å; Y24-V39 HydrophobicContact CD2-CB 4.42Å; Y24-V39 HydrophobicContact CD2-CG2 3.85Å; Y24-V39 HydrophobicContact CE2-CB 4.15Å; Y24-V39 HydrophobicContact CE2-CG2 4.01Å
25R97.9Very high93.3Very high86 Ų8663.5 Ų63.533%0.32534%0.343SS..EExtended strand (participates in β ladder)trans-76.8113.2165.4-174.6178.962.3-177.3-3.4108.1D13 L15 L34 Y88D13-R25 HydrophobicContact CB-CB 4.15Å; D13-R25 PolarHBondContact O-N 3.43Å; D13-R25 IonicContact OD1-CZ 3.56Å; D13-R25 IonicContact OD1-NE 2.74Å; D13-R25 IonicContact OD1-NH2 3.79Å; D13-R25 PolarHBondContact OD1-NH2 2.88Å; D13-R25 IonicContact OD2-NH2 2.66Å; L15-R25 HydrophobicContact CD1-CB 3.97Å; L15-R25 HydrophobicContact CD2-CB 4.03Å; L15-R25 HydrophobicContact CG-CB 4Å; R25-L34 HydrophobicContact CG-CD2 4Å; R25-Y88 HydrophobicContact CG-CE2 4.27Å
26G97.7Very high93.5Very high1 Ų159.9 Ų59.91%0.0133%0.325CS..EExtended strand (participates in β ladder)trans-110.8171.8178.200000112.7L8 Y24 L34 Y35L8-G26 CarbonylContact O-C 3.37Å; L8-G26 WeakPolarHBondContact O-CA 3Å; Y24-G26 PolarHBondContact O-N 2.83Å; G26-L34 WeakPolarHBondContact O-CA 3.23Å; G26-Y35 PolarHBondContact N-O 2.87Å; G26-Y35 PolarHBondContact O-N 3.29Å
27R97.9Very high94Very high120 Ų12058.5 Ų58.545%0.45331%0.31SS..EExtended strand (participates in β ladder)trans-131.9143.4174.5-70.3175.6-175-90.45.4110.7Y7 L8 G32 D33 L34Y7-R27 WeakPolarHBondContact CA-O 3.4Å; L8-R27 PolarHBondContact N-O 2.86Å; L8-R27 PolarHBondContact O-N 2.61Å; R27-G32 PolarHBondContact NH1-O 3.48Å; R27-D33 CarbonylContact C-O 3.54Å; R27-D33 VanDerWaalsContact CA-O 3.25Å; R27-D33 WeakPolarHBondContact CA-O 3.46Å; R27-L34 HydrophobicContact CG-CD2 3.73Å
28H98.3Very high94.4Very high31 Ų3151.3 Ų51.314%0.14428%0.277CS..EExtended strand (participates in β ladder)trans-72.6129.4167.2-178.5-111.2000109.9N6 Y7 K30 T31 G32 D33 Y35N6-H28 PolarHBondContact O-CD2 3.28Å; Y7-H28 HydrophobicContact CD1-CB 3.95Å; Y7-H28 HydrophobicContact CE1-CB 3.74Å; Y7-H28 AromaticContact CE1-CD2 3.69Å; Y7-H28 AromaticContact CZ-CD2 3.73Å; H28-K30 VanDerWaalsContact C-N 3.28Å; H28-K30 PolarHBondContact O-N 3.12Å; H28-T31 PolarHBondContact ND1-N 2.82Å; H28-T31 PolarHBondContact ND1-OG1 2.88Å; H28-G32 WeakPolarHBondContact O-CA 3.45Å; H28-G32 PolarHBondContact O-N 3.19Å; H28-D33 PolarHBondContact N-O 3.48Å; H28-Y35 HydrophobicContact CB-CD2 4.17Å; H28-Y35 HydrophobicContact CB-CE2 3.61Å
29K97.7Very high95Very high97 Ų9750.4 Ų50.442%0.42226%0.264SS..THydrogen-bonded Turntrans-62.4-31.3-169.9-75.3176.8176.4178.10113.8T4 T5 N6 Y7 L8T4-K29 WeakPolarHBondContact O-CE 3.18Å; T4-K29 PolarHBondContact O-NZ 2.89Å; T5-K29 WeakPolarHBondContact O-CD 3.49Å; T5-K29 PolarHBondContact O-NZ 3.2Å; N6-K29 WeakPolarHBondContact O-CB 3.14Å; N6-K29 WeakPolarHBondContact O-CG 3.42Å; N6-K29 PolarHBondContact O-N 2.76Å; Y7-K29 WeakPolarHBondContact O-CE 3.2Å; L8-K29 HydrophobicContact CD2-CG 4.07Å; L8-K29 HydrophobicContact CG-CG 4.44Å
30K97.4Very high95.5Very high178 Ų17847 Ų4777%0.77423%0.233SC*.THydrogen-bonded Turntrans-92.4-41.2-176.5-63.1-178.1178.1177.20113.2H28H28-K30 VanDerWaalsContact C-N 3.28Å; H28-K30 PolarHBondContact O-N 3.12Å
31T97.6Very high95.6Very high80 Ų8047 Ų4749%0.49123%0.231SC..THydrogen-bonded Turntrans-97.3-22.6-172.6610000112.8H28 D33H28-T31 PolarHBondContact ND1-N 2.82Å; H28-T31 PolarHBondContact ND1-OG1 2.88Å; T31-D33 WeakPolarHBondContact CB-OD2 3.41Å; T31-D33 PolarHBondContact O-N 3.39Å; T31-D33 VanDerWaalsContact OG1-CG 3.31Å; T31-D33 PolarHBondContact OG1-OD2 3.47Å
32G96.6Very high95.2Very high33 Ų3352.7 Ų52.734%0.3426%0.261SS..  trans80.5-5.4-177.100000114.7R27 H28R27-G32 PolarHBondContact NH1-O 3.48Å; H28-G32 WeakPolarHBondContact O-CA 3.45Å; H28-G32 PolarHBondContact O-N 3.19Å
33D97.8Very high94.4Very high85 Ų8556.6 Ų56.646%0.45528%0.281SS..  trans-59.1146.9179.6-55.2-40.3000111.5R27 H28 T31 Y35R27-D33 CarbonylContact C-O 3.54Å; R27-D33 VanDerWaalsContact CA-O 3.25Å; R27-D33 WeakPolarHBondContact CA-O 3.46Å; H28-D33 PolarHBondContact N-O 3.48Å; T31-D33 WeakPolarHBondContact CB-OD2 3.41Å; T31-D33 PolarHBondContact O-N 3.39Å; T31-D33 VanDerWaalsContact OG1-CG 3.31Å; T31-D33 PolarHBondContact OG1-OD2 3.47Å; D33-Y35 HydrophobicContact CB-CE2 3.7Å; D33-Y35 VanDerWaalsContact O-CD2 3.25Å; D33-Y35 WeakPolarHBondContact O-CD2 3.44Å; D33-Y35 WeakPolarHBondContact O-CE2 3.43Å
34L98.1Very high93.5Very high67 Ų6755.1 Ų55.135%0.35127%0.273SS..EExtended strand (participates in β ladder)trans-88.3139.2-175.3-70.3168.6000112R25 G26 R27 Y88R25-L34 HydrophobicContact CG-CD2 4Å; G26-L34 WeakPolarHBondContact O-CA 3.23Å; R27-L34 HydrophobicContact CG-CD2 3.73Å; L34-Y88 HydrophobicContact CB-CD1 3.79Å; L34-Y88 HydrophobicContact CB-CE1 4.46Å; L34-Y88 HydrophobicContact CB-CG 4.42Å; L34-Y88 HydrophobicContact CD1-CD1 4.22Å; L34-Y88 HydrophobicContact CD1-CE1 4.11Å
35Y98.2Very high92.5Very high30 Ų3057 Ų5712%0.11828%0.281CS..EExtended strand (participates in β ladder)trans-138.8160.2178.7-64.4-91.4000111Y7 G26 H28 D33 F71 V85Y7-Y35 AromaticContact CD1-CD2 3.94Å; Y7-Y35 HydrophobicContact CD1-CD2 3.94Å; Y7-Y35 HydrophobicContact CD1-CE2 4.42Å; Y7-Y35 HydrophobicContact CD1-CG 4.3Å; Y7-Y35 HydrophobicContact CE1-CD1 4.3Å; Y7-Y35 AromaticContact CE1-CD2 3.62Å; Y7-Y35 HydrophobicContact CE1-CD2 3.62Å; Y7-Y35 HydrophobicContact CE1-CE1 4.38Å; Y7-Y35 AromaticContact CE1-CE2 3.74Å; Y7-Y35 HydrophobicContact CE1-CE2 3.74Å; Y7-Y35 AromaticContact CE1-CG 3.92Å; Y7-Y35 HydrophobicContact CE1-CG 3.92Å; G26-Y35 PolarHBondContact N-O 2.87Å; G26-Y35 PolarHBondContact O-N 3.29Å; H28-Y35 HydrophobicContact CB-CD2 4.17Å; H28-Y35 HydrophobicContact CB-CE2 3.61Å; D33-Y35 HydrophobicContact CB-CE2 3.7Å; D33-Y35 VanDerWaalsContact O-CD2 3.25Å; D33-Y35 WeakPolarHBondContact O-CD2 3.44Å; D33-Y35 WeakPolarHBondContact O-CE2 3.43Å; Y35-F71 HydrophobicContact CD1-CD2 4Å; Y35-F71 HydrophobicContact CD1-CE2 4.38Å; Y35-F71 HydrophobicContact CD1-CG 4.27Å; Y35-F71 HydrophobicContact CE1-CB 4.38Å; Y35-F71 HydrophobicContact CE1-CD1 4.05Å; Y35-F71 AromaticContact CE1-CD2 3.88Å; Y35-F71 HydrophobicContact CE1-CD2 3.88Å; Y35-F71 HydrophobicContact CE1-CE1 4.27Å; Y35-F71 HydrophobicContact CE1-CE2 4.11Å; Y35-F71 AromaticContact CE1-CG 3.84Å; Y35-F71 HydrophobicContact CE1-CG 3.84Å; Y35-F71 HydrophobicContact CE1-CZ 4.3Å; Y35-V85 HydrophobicContact CD1-CG1 3.78Å; Y35-V85 HydrophobicContact CG-CG1 3.9Å
36A98Very high91.6Very high8 Ų859.7 Ų59.77%0.06630%0.302CS..EExtended strand (participates in β ladder)trans-95.8123.6165.800000109.1L15 V23 Y24 M86L15-A36 HydrophobicContact CD1-CB 4.27Å; V23-A36 HydrophobicContact CG1-CB 4.03Å; Y24-A36 CarbonylContact O-C 3.54Å; Y24-A36 WeakPolarHBondContact O-CA 2.91Å; A36-M86 HydrophobicContact CB-CB 4.37Å; A36-M86 HydrophobicContact CB-CE 4.42Å; A36-M86 PolarHBondContact N-O 3.41Å; A36-M86 PolarHBondContact O-N 3.4Å
37V97.3Very high90.6Very high0 Ų061.9 Ų61.90%031%0.31CS..EExtended strand (participates in β ladder)trans-110.9109.8-179.2-174.10000109.3W9 V23 Y24 V39 V83 L84W9-V37 HydrophobicContact CD2-CB 4.36Å; W9-V37 HydrophobicContact CD2-CG1 4.17Å; W9-V37 HydrophobicContact CE3-CB 4.18Å; W9-V37 HydrophobicContact CE3-CG1 3.83Å; W9-V37 HydrophobicContact CE3-CG2 4.08Å; W9-V37 HydrophobicContact CH2-CG1 4.03Å; W9-V37 HydrophobicContact CZ2-CG1 4.33Å; W9-V37 HydrophobicContact CZ3-CG1 3.77Å; V23-V37 WeakPolarHBondContact CA-O 3.45Å; Y24-V37 PolarHBondContact N-O 2.77Å; Y24-V37 PolarHBondContact O-N 3.45Å; V37-V39 HydrophobicContact CG1-CG2 4.04Å; V37-V83 HydrophobicContact CG1-CB 4.13Å; V37-V83 HydrophobicContact CG1-CG2 4.15Å; V37-L84 CarbonylContact C-O 3.22Å; V37-L84 WeakPolarHBondContact CA-O 3.35Å
38K95.6Very high89.8Confident8 Ų860.1 Ų60.14%0.03531%0.314CS..EExtended strand (participates in β ladder)trans-88.9115.6175.4-173.3172.7-175.8-173.20109.5A21 N22 V23 E55 V83 L84 M86 D157A21-K38 HydrophobicContact CB-CD 4.17Å; A21-K38 VanDerWaalsContact CB-CE 3.49Å; A21-K38 HydrophobicContact CB-CG 3.63Å; N22-K38 CarbonylContact O-C 3.56Å; N22-K38 WeakPolarHBondContact O-CA 3.29Å; V23-K38 HydrophobicContact CG2-CB 4.11Å; V23-K38 HydrophobicContact CG2-CD 4.37Å; V23-K38 HydrophobicContact CG2-CG 3.98Å; K38-E55 IonicContact NZ-OE1 3.56Å; K38-E55 PolarHBondContact NZ-OE1 3.4Å; K38-E55 IonicContact NZ-OE2 2.77Å; K38-E55 PolarHBondContact NZ-OE2 2.83Å; K38-V83 WeakPolarHBondContact O-CA 3.43Å; K38-V83 WeakPolarHBondContact O-CB 3.28Å; K38-L84 HydrophobicContact CB-CB 4.16Å; K38-L84 HydrophobicContact CD-CD1 4.21Å; K38-L84 PolarHBondContact N-O 2.95Å; K38-L84 PolarHBondContact O-N 3.16Å; K38-M86 HydrophobicContact CB-CE 3.85Å; K38-M86 HydrophobicContact CD-CE 4.47Å; K38-D157 IonicContact NZ-OD1 2.74Å; K38-D157 PolarHBondContact NZ-OD1 3.13Å
39V93.4Very high88.9Confident19 Ų1964.5 Ų64.512%0.11534%0.338CS..EExtended strand (participates in β ladder)trans-109.5117.5-179-173.40000108.6W9 A21 N22 Y24 V37 V83W9-V39 HydrophobicContact CH2-CG2 4.37Å; W9-V39 HydrophobicContact CZ2-CG2 3.55Å; A21-V39 CarbonylContact C-O 3.5Å; A21-V39 VanDerWaalsContact CA-O 3.26Å; A21-V39 WeakPolarHBondContact CA-O 3.42Å; A21-V39 WeakPolarHBondContact CB-O 3.45Å; N22-V39 PolarHBondContact N-O 3.01Å; N22-V39 PolarHBondContact O-N 3.49Å; Y24-V39 HydrophobicContact CD2-CB 4.42Å; Y24-V39 HydrophobicContact CD2-CG2 3.85Å; Y24-V39 HydrophobicContact CE2-CB 4.15Å; Y24-V39 HydrophobicContact CE2-CG2 4.01Å; V37-V39 HydrophobicContact CG1-CG2 4.04Å; V39-V83 HydrophobicContact CB-CG1 4.37Å; V39-V83 HydrophobicContact CG1-CG1 4.22Å; V39-V83 HydrophobicContact CG2-CG1 4.02Å
40F89.8Confident87.9Confident12 Ų1264.2 Ų64.25%0.05334%0.34CS..EExtended strand (participates in β ladder)trans-73.2140.8179.5-62.8-86.5000110.9A21 F45 F56 K82 L84A21-F40 HydrophobicContact CB-CD1 4Å; A21-F40 HydrophobicContact CB-CE1 4.42Å; A21-F40 HydrophobicContact CB-CG 4.46Å; F40-F45 HydrophobicContact CB-CE2 3.93Å; F40-F45 HydrophobicContact CB-CZ 3.87Å; F40-F56 HydrophobicContact CD2-CZ 4.03Å; F40-F56 HydrophobicContact CE2-CE1 4.07Å; F40-F56 AromaticContact CE2-CE2 3.86Å; F40-F56 HydrophobicContact CE2-CE2 3.86Å; F40-F56 AromaticContact CE2-CZ 3.28Å; F40-F56 HydrophobicContact CE2-CZ 3.28Å; F40-F56 AromaticContact CZ-CE2 3.96Å; F40-F56 HydrophobicContact CZ-CE2 3.96Å; F40-F56 AromaticContact CZ-CZ 3.81Å; F40-F56 HydrophobicContact CZ-CZ 3.81Å; F40-K82 WeakPolarHBondContact CD2-O 3.46Å; F40-L84 HydrophobicContact CE2-CD1 4.17Å; F40-L84 HydrophobicContact CE2-CG 4.09Å; F40-L84 HydrophobicContact CZ-CD1 3.83Å; F40-L84 HydrophobicContact CZ-CG 4.26Å
41N84.1Confident86.8Confident40 Ų4056.8 Ų56.821%0.21431%0.31CS..  trans-86.9170.9179.166.220.1000111.8A19 T20 L43 S44 F45A19-N41 PolarHBondContact O-ND2 3.07Å; T20-N41 PolarHBondContact O-N 3.24Å; T20-N41 VanDerWaalsContact O-N 3.1Å; T20-N41 PolarHBondContact O-OD1 3.37Å; N41-L43 PolarHBondContact O-N 3.39Å; N41-L43 WeakPolarHBondContact OD1-CB 3.34Å; N41-L43 PolarHBondContact OD1-N 2.65Å; N41-S44 VanDerWaalsContact O-CB 3.24Å; N41-S44 WeakPolarHBondContact O-CB 3.43Å; N41-S44 PolarHBondContact O-N 2.92Å; N41-S44 PolarHBondContact OD1-N 3.5Å; N41-F45 WeakPolarHBondContact O-CD2 3.47Å
42N80.7Confident85.9Confident124 Ų12454.7 Ų54.766%0.66330%0.295SS*.Hα-helixtrans-57.5-33.5-179.5-68.8-5.4000113.2S44 F45 L46N42-S44 VanDerWaalsContact C-N 3.28Å; N42-S44 PolarHBondContact O-N 2.76Å; N42-F45 PolarHBondContact O-N 3.42Å; N42-F45 VanDerWaalsContact O-N 3.16Å; N42-L46 PolarHBondContact O-N 3.43Å
43L75.9Confident85.2Confident117 Ų11755 Ų5561%0.61329%0.288SS*.Hα-helixtrans-64.3-33.8176.9-63.1173.6000112N41 F45 L46N41-L43 PolarHBondContact O-N 3.39Å; N41-L43 WeakPolarHBondContact OD1-CB 3.34Å; N41-L43 PolarHBondContact OD1-N 2.65Å; L43-F45 VanDerWaalsContact C-N 3.29Å; L43-F45 PolarHBondContact O-N 3.03Å; L43-L46 HydrophobicContact CD2-CD1 4.13Å; L43-L46 PolarHBondContact O-N 3Å
44S76.8Confident84.4Confident2 Ų254.4 Ų54.41%0.01428%0.279CS..Hα-helixtrans-60.7-38.7173.8-105.40000112.4T20 N41 N42 L46 R47 Q52T20-S44 WeakPolarHBondContact CB-OG 3.45Å; T20-S44 WeakPolarHBondContact O-CB 3.41Å; T20-S44 PolarHBondContact O-OG 2.93Å; N41-S44 VanDerWaalsContact O-CB 3.24Å; N41-S44 WeakPolarHBondContact O-CB 3.43Å; N41-S44 PolarHBondContact O-N 2.92Å; N41-S44 PolarHBondContact OD1-N 3.5Å; N42-S44 VanDerWaalsContact C-N 3.28Å; N42-S44 PolarHBondContact O-N 2.76Å; S44-L46 VanDerWaalsContact C-N 3.26Å; S44-L46 PolarHBondContact O-N 3.37Å; S44-R47 WeakPolarHBondContact O-CB 3.27Å; S44-R47 PolarHBondContact O-N 2.91Å; S44-R47 PolarHBondContact O-NE 3.08Å; S44-R47 PolarHBondContact OG-NH2 3.35Å; S44-Q52 WeakPolarHBondContact O-CG 3.4Å
45F74.9Confident83.8Confident58 Ų5851.5 Ų51.525%0.25426%0.264SS..Hα-helixtrans-74.7-14.3-178.9-64.6-72.1000113.8F40 N41 N42 L43 R47 Q52 H81F40-F45 HydrophobicContact CB-CE2 3.93Å; F40-F45 HydrophobicContact CB-CZ 3.87Å; N41-F45 WeakPolarHBondContact O-CD2 3.47Å; N42-F45 PolarHBondContact O-N 3.42Å; N42-F45 VanDerWaalsContact O-N 3.16Å; L43-F45 VanDerWaalsContact C-N 3.29Å; L43-F45 PolarHBondContact O-N 3.03Å; F45-R47 VanDerWaalsContact C-N 3.25Å; F45-Q52 PolarHBondContact O-NE2 3.33Å; F45-H81 AromaticContact CD2-CE1 3.59Å; F45-H81 AromaticContact CD2-ND1 3.77Å; F45-H81 AromaticContact CD2-NE2 3.87Å; F45-H81 HydrophobicContact CE1-CB 4.22Å; F45-H81 AromaticContact CE1-CD2 3.93Å; F45-H81 AromaticContact CE1-CG 3.99Å; F45-H81 HydrophobicContact CE2-CB 3.9Å; F45-H81 AromaticContact CE2-CD2 3.82Å; F45-H81 AromaticContact CE2-CE1 3.5Å; F45-H81 VanDerWaalsContact CE2-CE1 3.5Å; F45-H81 WeakPolarHBondContact CE2-CE1 3.42Å; F45-H81 AromaticContact CE2-CG 3.37Å; F45-H81 AromaticContact CE2-ND1 3.16Å; F45-H81 WeakPolarHBondContact CE2-ND1 3.16Å; F45-H81 AromaticContact CE2-NE2 3.9Å; F45-H81 HydrophobicContact CZ-CB 3.44Å; F45-H81 VanDerWaalsContact CZ-CB 3.44Å; F45-H81 AromaticContact CZ-CD2 3.7Å; F45-H81 AromaticContact CZ-CG 3.31Å; F45-H81 AromaticContact CZ-ND1 3.65Å
46L79.4Confident83.2Confident144 Ų14450.4 Ų50.475%0.75426%0.26SS*.THydrogen-bonded Turntrans-77.1-12.8171-61.2177000112.7N42 L43 S44N42-L46 PolarHBondContact O-N 3.43Å; L43-L46 HydrophobicContact CD2-CD1 4.13Å; L43-L46 PolarHBondContact O-N 3Å; S44-L46 VanDerWaalsContact C-N 3.26Å; S44-L46 PolarHBondContact O-N 3.37Å
47R78.2Confident82.8Confident47 Ų4753.5 Ų53.518%0.17727%0.273CS..SBendtrans-76.7155.5178.7-61.3-174-68.6166.1-4110.8S44 F45 V51 Q52S44-R47 WeakPolarHBondContact O-CB 3.27Å; S44-R47 PolarHBondContact O-N 2.91Å; S44-R47 PolarHBondContact O-NE 3.08Å; S44-R47 PolarHBondContact OG-NH2 3.35Å; F45-R47 VanDerWaalsContact C-N 3.25Å; R47-V51 HydrophobicContact CB-CB 4.3Å; R47-V51 HydrophobicContact CB-CG1 4.2Å; R47-Q52 HydrophobicContact CB-CG 4.29Å; R47-Q52 PolarHBondContact O-NE2 2.76Å
48P80.4Confident82.5Confident82 Ų8253.7 Ų53.753%0.53227%0.274SS..  trans-51.1143.6170.8-29.738.2000112.8D50 V51 Q52P48-D50 VanDerWaalsContact C-N 3.27Å; P48-D50 WeakPolarHBondContact CB-OD1 3.44Å; P48-D50 PolarHBondContact O-N 3.49Å; P48-V51 HydrophobicContact CB-CG2 4.05Å; P48-V51 HydrophobicContact CG-CG2 4.31Å; P48-V51 WeakPolarHBondContact O-CA 3.34Å; P48-V51 WeakPolarHBondContact O-CB 3.19Å; P48-V51 PolarHBondContact O-N 3.41Å; P48-Q52 PolarHBondContact O-N 2.82Å
49L78.8Confident82.3Confident124 Ų12453.6 Ų53.665%0.64927%0.274SS*.Hα-helixtrans-59.7-37.5-173.7-179.564.2000112.4V51 Q52 M53L49-V51 VanDerWaalsContact C-N 3.3Å; L49-V51 PolarHBondContact O-N 3.48Å; L49-Q52 WeakPolarHBondContact O-CB 3.29Å; L49-Q52 PolarHBondContact O-N 3.5Å; L49-M53 HydrophobicContact CD1-CG 4.2Å; L49-M53 HydrophobicContact CG-CG 4.39Å; L49-M53 WeakPolarHBondContact O-CB 3.42Å; L49-M53 WeakPolarHBondContact O-CG 3.25Å; L49-M53 PolarHBondContact O-N 3.5Å
50D76.2Confident82.1Confident90 Ų9058.6 Ų58.648%0.48129%0.294SS..Hα-helixtrans-58.6-43.2173.766.4-56.5000110.9P48 Q52 M53 R54P48-D50 VanDerWaalsContact C-N 3.27Å; P48-D50 WeakPolarHBondContact CB-OD1 3.44Å; P48-D50 PolarHBondContact O-N 3.49Å; D50-Q52 PolarHBondContact O-N 2.82Å; D50-M53 PolarHBondContact O-N 2.85Å; D50-R54 WeakPolarHBondContact O-CG 3.38Å; D50-R54 PolarHBondContact O-N 3.22Å; D50-R54 VanDerWaalsContact O-N 3.12Å; D50-R54 IonicContact OD2-CZ 2.84Å; D50-R54 IonicContact OD2-NE 3.94Å; D50-R54 IonicContact OD2-NH2 3.15Å; D50-R54 PolarHBondContact OD2-NH2 3.33Å
51V76Confident82.2Confident22 Ų2262.2 Ų62.213%0.13331%0.31CS..Hα-helixtrans-65.5-38.7176.2-179.70000111.6R47 P48 L49 M53R47-V51 HydrophobicContact CB-CB 4.3Å; R47-V51 HydrophobicContact CB-CG1 4.2Å; P48-V51 HydrophobicContact CB-CG2 4.05Å; P48-V51 HydrophobicContact CG-CG2 4.31Å; P48-V51 WeakPolarHBondContact O-CA 3.34Å; P48-V51 WeakPolarHBondContact O-CB 3.19Å; P48-V51 PolarHBondContact O-N 3.41Å; L49-V51 VanDerWaalsContact C-N 3.3Å; L49-V51 PolarHBondContact O-N 3.48Å; V51-M53 VanDerWaalsContact C-N 3.33Å
52Q77Confident82.7Confident36 Ų3661 Ų6117%0.16830%0.303CS..Hα-helixtrans-64.3-39.7176.4-63.9-177.940.300111.5S44 F45 R47 P48 L49 D50 F56S44-Q52 WeakPolarHBondContact O-CG 3.4Å; F45-Q52 PolarHBondContact O-NE2 3.33Å; R47-Q52 HydrophobicContact CB-CG 4.29Å; R47-Q52 PolarHBondContact O-NE2 2.76Å; P48-Q52 PolarHBondContact O-N 2.82Å; L49-Q52 WeakPolarHBondContact O-CB 3.29Å; L49-Q52 PolarHBondContact O-N 3.5Å; D50-Q52 PolarHBondContact O-N 2.82Å; Q52-F56 VanDerWaalsContact O-CD2 3.25Å; Q52-F56 WeakPolarHBondContact O-CD2 3.31Å; Q52-F56 WeakPolarHBondContact O-CE2 3.39Å
53M81.9Confident83.4Confident41 Ų4160.9 Ų60.920%0.20230%0.302CS..Hα-helixtrans-80-20.4-175.7-70.5-59.5-56.600114.2L49 D50 V51 E55 F56 E57 K82L49-M53 HydrophobicContact CD1-CG 4.2Å; L49-M53 HydrophobicContact CG-CG 4.39Å; L49-M53 WeakPolarHBondContact O-CB 3.42Å; L49-M53 WeakPolarHBondContact O-CG 3.25Å; L49-M53 PolarHBondContact O-N 3.5Å; D50-M53 PolarHBondContact O-N 2.85Å; V51-M53 VanDerWaalsContact C-N 3.33Å; M53-E55 PolarHBondContact O-N 2.84Å; M53-F56 HydrophobicContact CE-CB 4.4Å; M53-F56 WeakPolarHBondContact O-CB 3.27Å; M53-F56 PolarHBondContact O-N 3.35Å; M53-F56 VanDerWaalsContact O-N 3.1Å; M53-F56 HydrophobicContact SD-CD2 4.41Å; M53-E57 PolarHBondContact O-N 3.27Å; M53-E57 VanDerWaalsContact O-N 3.08Å; M53-K82 HydrophobicContact SD-CD 4.27Å; M53-K82 PolarHBondContact SD-NZ 3.28Å
54R82.6Confident84.4Confident71 Ų7158 Ų5827%0.26829%0.285SS..Hα-helixtrans-49.6-52.3-176.8-84.2167.8-154-1753.7114.3D50 F56 E57 V58D50-R54 WeakPolarHBondContact O-CG 3.38Å; D50-R54 PolarHBondContact O-N 3.22Å; D50-R54 VanDerWaalsContact O-N 3.12Å; D50-R54 IonicContact OD2-CZ 2.84Å; D50-R54 IonicContact OD2-NE 3.94Å; D50-R54 IonicContact OD2-NH2 3.15Å; D50-R54 PolarHBondContact OD2-NH2 3.33Å; R54-F56 PolarHBondContact O-N 2.82Å; R54-E57 PolarHBondContact O-N 3.3Å; R54-V58 WeakPolarHBondContact O-CG2 3.38Å; R54-V58 PolarHBondContact O-N 2.99Å
55E85.4Confident85.4Confident6 Ų663.4 Ų63.43%0.02831%0.309CS..Hα-helixtrans-61.4-36.6-176.7-176.4168.9-169.700111.6K38 M53 L59 L84 F158 G159K38-E55 IonicContact NZ-OE1 3.56Å; K38-E55 PolarHBondContact NZ-OE1 3.4Å; K38-E55 IonicContact NZ-OE2 2.77Å; K38-E55 PolarHBondContact NZ-OE2 2.83Å; M53-E55 PolarHBondContact O-N 2.84Å; E55-L59 HydrophobicContact CG-CD1 3.97Å; E55-L59 WeakPolarHBondContact O-CB 3.41Å; E55-L59 WeakPolarHBondContact O-CG 3.17Å; E55-L59 PolarHBondContact O-N 3.38Å; E55-L84 HydrophobicContact CG-CD1 4.04Å; E55-F158 HydrophobicContact CG-CB 4.11Å; E55-F158 PolarHBondContact OE1-N 2.79Å; E55-G159 PolarHBondContact OE1-N 3.42Å; E55-G159 WeakPolarHBondContact OE2-CA 3.34Å
56F86Confident86.5Confident7 Ų760.6 Ų60.63%0.03130%0.297CS..Hα-helixtrans-66.7-46.1177.2-58.6-93.9000111.7F40 Q52 M53 R54 L59 K60 V73 K82 L84F40-F56 HydrophobicContact CD2-CZ 4.03Å; F40-F56 HydrophobicContact CE2-CE1 4.07Å; F40-F56 AromaticContact CE2-CE2 3.86Å; F40-F56 HydrophobicContact CE2-CE2 3.86Å; F40-F56 AromaticContact CE2-CZ 3.28Å; F40-F56 HydrophobicContact CE2-CZ 3.28Å; F40-F56 AromaticContact CZ-CE2 3.96Å; F40-F56 HydrophobicContact CZ-CE2 3.96Å; F40-F56 AromaticContact CZ-CZ 3.81Å; F40-F56 HydrophobicContact CZ-CZ 3.81Å; Q52-F56 VanDerWaalsContact O-CD2 3.25Å; Q52-F56 WeakPolarHBondContact O-CD2 3.31Å; Q52-F56 WeakPolarHBondContact O-CE2 3.39Å; M53-F56 HydrophobicContact CE-CB 4.4Å; M53-F56 WeakPolarHBondContact O-CB 3.27Å; M53-F56 PolarHBondContact O-N 3.35Å; M53-F56 VanDerWaalsContact O-N 3.1Å; M53-F56 HydrophobicContact SD-CD2 4.41Å; R54-F56 PolarHBondContact O-N 2.82Å; F56-L59 PolarHBondContact O-N 2.89Å; F56-K60 VanDerWaalsContact O-CG 3.3Å; F56-K60 WeakPolarHBondContact O-CG 3.32Å; F56-K60 PolarHBondContact O-N 3.26Å; F56-V73 HydrophobicContact CD1-CB 4.34Å; F56-V73 HydrophobicContact CD1-CG1 3.57Å; F56-V73 HydrophobicContact CD1-CG2 3.8Å; F56-V73 HydrophobicContact CE1-CG1 3.56Å; F56-V73 HydrophobicContact CE1-CG2 4.43Å; F56-K82 HydrophobicContact CE1-CB 3.93Å; F56-K82 HydrophobicContact CE1-CD 4.32Å; F56-K82 HydrophobicContact CZ-CB 3.68Å; F56-K82 HydrophobicContact CZ-CD 4.22Å; F56-L84 HydrophobicContact CD1-CD2 3.17Å; F56-L84 HydrophobicContact CD1-CG 4.1Å; F56-L84 HydrophobicContact CE1-CD2 3.28Å; F56-L84 HydrophobicContact CE1-CG 3.73Å; F56-L84 HydrophobicContact CG-CD2 4.07Å; F56-L84 HydrophobicContact CZ-CD2 4.27Å; F56-L84 HydrophobicContact CZ-CG 4.36Å
57E88.2Confident87.4Confident74 Ų7454 Ų5435%0.34626%0.262SS..Hα-helixtrans-69.8-37.1-177.9-63.5-50.4128.700112.1M53 R54 K60M53-E57 PolarHBondContact O-N 3.27Å; M53-E57 VanDerWaalsContact O-N 3.08Å; R54-E57 PolarHBondContact O-N 3.3Å; E57-K60 IonicContact OE1-NZ 3.8Å; E57-K60 PolarHBondContact OE1-NZ 3.01Å; E57-K60 IonicContact OE2-NZ 3.96Å
58V90.5Very high88.3Confident4 Ų451.9 Ų51.92%0.02425%0.254CS..Hα-helixtrans-60.4-55.9171.31670000110.3R54 K60 K61 L62 I131 F158 A161R54-V58 WeakPolarHBondContact O-CG2 3.38Å; R54-V58 PolarHBondContact O-N 2.99Å; V58-K60 VanDerWaalsContact C-N 3.27Å; V58-K60 PolarHBondContact O-N 2.96Å; V58-K61 PolarHBondContact O-N 3.12Å; V58-L62 HydrophobicContact CG1-CD1 3.87Å; V58-L62 WeakPolarHBondContact O-CG 3.39Å; V58-I131 HydrophobicContact CG1-CD1 4Å; V58-I131 HydrophobicContact CG1-CG1 4.46Å; V58-I131 HydrophobicContact CG1-CG2 4Å; V58-F158 HydrophobicContact CG1-CB 4.09Å; V58-F158 HydrophobicContact CG1-CD1 3.99Å; V58-F158 HydrophobicContact CG1-CG 4.19Å; V58-A161 HydrophobicContact CG1-CB 4.1Å; V58-A161 HydrophobicContact CG2-CB 4.39Å
59L91.3Very high89.1Confident5 Ų552.7 Ų52.73%0.02625%0.249CC..Hα-helixtrans-63.2-29.4-175.7-81171.2000113.7E55 F56 K61 L62 L70 L84 F158E55-L59 HydrophobicContact CG-CD1 3.97Å; E55-L59 WeakPolarHBondContact O-CB 3.41Å; E55-L59 WeakPolarHBondContact O-CG 3.17Å; E55-L59 PolarHBondContact O-N 3.38Å; F56-L59 PolarHBondContact O-N 2.89Å; L59-K61 VanDerWaalsContact C-N 3.25Å; L59-K61 PolarHBondContact O-N 3.01Å; L59-L62 PolarHBondContact O-N 3.45Å; L59-L70 HydrophobicContact CB-CB 4.18Å; L59-L70 HydrophobicContact CB-CD2 3.7Å; L59-L70 HydrophobicContact CB-CG 4.47Å; L59-L84 HydrophobicContact CD1-CD1 3.88Å; L59-L84 HydrophobicContact CD1-CD2 4.48Å; L59-F158 HydrophobicContact CD1-CD2 4.49Å; L59-F158 HydrophobicContact CD2-CD2 3.32Å; L59-F158 HydrophobicContact CD2-CE2 3.63Å; L59-F158 HydrophobicContact CD2-CG 4.15Å; L59-F158 HydrophobicContact CG-CB 4.39Å; L59-F158 HydrophobicContact CG-CD2 3.92Å; L59-F158 HydrophobicContact CG-CG 4.38Å
60K90.1Very high89.9Confident125 Ų12548.2 Ų48.254%0.54323%0.226SC..Hα-helixtrans-63.7-29175.2-81.8174.3-178.1169.50113.5F56 E57 V58 L70F56-K60 VanDerWaalsContact O-CG 3.3Å; F56-K60 WeakPolarHBondContact O-CG 3.32Å; F56-K60 PolarHBondContact O-N 3.26Å; E57-K60 IonicContact OE1-NZ 3.8Å; E57-K60 PolarHBondContact OE1-NZ 3.01Å; E57-K60 IonicContact OE2-NZ 3.96Å; V58-K60 VanDerWaalsContact C-N 3.27Å; V58-K60 PolarHBondContact O-N 2.96Å; K60-L70 HydrophobicContact CG-CD2 4.49Å
61K91.4Very high90.9Very high88 Ų8848.4 Ų48.438%0.38322%0.223SC..Hα-helixtrans-82.9-20.9-180-65177.2178.3-175.90112.3V58 L59 Y129 E163V58-K61 PolarHBondContact O-N 3.12Å; L59-K61 VanDerWaalsContact C-N 3.25Å; L59-K61 PolarHBondContact O-N 3.01Å; K61-Y129 HydrophobicContact CB-CD1 3.98Å; K61-Y129 HydrophobicContact CB-CE1 4.3Å; K61-Y129 WeakPolarHBondContact O-CE1 3.36Å; K61-E163 WeakPolarHBondContact CE-OE1 3.48Å; K61-E163 IonicContact NZ-OE1 3.92Å; K61-E163 PolarHBondContact NZ-OE1 3.48Å; K61-E163 IonicContact NZ-OE2 2.75Å; K61-E163 PolarHBondContact NZ-OE2 3.16Å
62L95.1Very high91.7Very high13 Ų1348.5 Ų48.57%0.06823%0.226CC..  trans-93.3124.9-171.7-60.8177.5000111.8V58 L59 I67 L126 I131 F158V58-L62 HydrophobicContact CG1-CD1 3.87Å; V58-L62 WeakPolarHBondContact O-CG 3.39Å; L59-L62 PolarHBondContact O-N 3.45Å; L62-I67 HydrophobicContact CB-CG2 4.12Å; L62-I67 HydrophobicContact CD1-CG2 4.24Å; L62-L126 HydrophobicContact CD1-CD2 3.54Å; L62-L126 HydrophobicContact CD2-CD2 3.69Å; L62-L126 HydrophobicContact CG-CD2 4.28Å; L62-I131 HydrophobicContact CD1-CD1 4.34Å; L62-I131 HydrophobicContact CD2-CD1 3.63Å; L62-I131 HydrophobicContact CG-CD1 4.05Å; L62-F158 HydrophobicContact CD1-CD1 4.12Å; L62-F158 HydrophobicContact CD1-CE1 3.73Å; L62-F158 HydrophobicContact CD1-CE2 4.4Å; L62-F158 HydrophobicContact CD1-CZ 3.88Å
63N94.9Very high92.5Very high122 Ų12249.4 Ų49.465%0.65223%0.234SC*.  trans-148.197.7171.2-178.429.9000109.7
64H97.9Very high93.1Very high56 Ų5648.8 Ų48.826%0.25923%0.23SC..  trans-153.8152.7-177.1-176.8-105.4000110.7N66 I67 H125H64-N66 PolarHBondContact CE1-OD1 2.83Å; H64-N66 PolarHBondContact ND1-N 3.49Å; H64-N66 VanDerWaalsContact ND1-N 3.19Å; H64-N66 PolarHBondContact O-N 3.26Å; H64-I67 HydrophobicContact CB-CB 4.5Å; H64-I67 HydrophobicContact CB-CG1 3.97Å; H64-I67 PolarHBondContact O-N 2.89Å; H64-H125 HydrophobicContact CB-CB 4.2Å; H64-H125 AromaticContact CD2-ND1 3.93Å; H64-H125 AromaticContact CG-CG 3.79Å; H64-H125 AromaticContact CG-ND1 3.87Å
65K97.3Very high93.6Very high116 Ų11649.7 Ų49.750%0.50424%0.238SC..THydrogen-bonded Turntrans-58.9-31.8-176.770.4-179.3-180178.60112.9K154K65-K154 WeakPolarHBondContact O-CE 3.28Å; K65-K154 WeakPolarHBondContact O-CG 3.34Å; K65-K154 PolarHBondContact O-NZ 2.85Å
66N98.5Very high94Very high0 Ų049.5 Ų49.50%024%0.237CC..THydrogen-bonded Turntrans-96.818.1-179.5-55.5109000113.8H64 D118 A121 Y153 K154 L155H64-N66 PolarHBondContact CE1-OD1 2.83Å; H64-N66 PolarHBondContact ND1-N 3.49Å; H64-N66 VanDerWaalsContact ND1-N 3.19Å; H64-N66 PolarHBondContact O-N 3.26Å; N66-D118 VanDerWaalsContact CB-O 3.27Å; N66-D118 WeakPolarHBondContact CB-O 3.28Å; N66-D118 WeakPolarHBondContact ND2-CA 3.34Å; N66-D118 WeakPolarHBondContact ND2-CB 3.46Å; N66-D118 PolarHBondContact ND2-OD1 3.17Å; N66-A121 WeakPolarHBondContact OD1-CB 3.49Å; N66-Y153 WeakPolarHBondContact CA-O 3.29Å; N66-Y153 PolarHBondContact ND2-O 2.92Å; N66-K154 CarbonylContact O-C 3.42Å; N66-K154 VanDerWaalsContact O-CA 3.31Å; N66-K154 WeakPolarHBondContact O-CA 3.36Å; N66-L155 PolarHBondContact O-N 3.26Å
67I98.3Very high94.4Very high4 Ų452.4 Ų52.42%0.02126%0.255CS..BIsolated β-bridgetrans-121.7135.7170.2-55.1-64.4000107.6L62 H64 K69 L126 L155 F158L62-I67 HydrophobicContact CB-CG2 4.12Å; L62-I67 HydrophobicContact CD1-CG2 4.24Å; H64-I67 HydrophobicContact CB-CB 4.5Å; H64-I67 HydrophobicContact CB-CG1 3.97Å; H64-I67 PolarHBondContact O-N 2.89Å; I67-K69 PolarHBondContact O-N 3.47Å; I67-L126 HydrophobicContact CD1-CD2 3.9Å; I67-L126 HydrophobicContact CD1-CG 4.27Å; I67-L155 HydrophobicContact CD1-CB 3.97Å; I67-L155 HydrophobicContact CD1-CD1 4.14Å; I67-L155 HydrophobicContact CD1-CG 4.37Å; I67-F158 HydrophobicContact CD1-CZ 4.14Å; I67-F158 HydrophobicContact CG2-CE2 3.94Å; I67-F158 HydrophobicContact CG2-CZ 3.8Å
68V97.7Very high94.4Very high4 Ų455 Ų552%0.02427%0.271CS..PPolyproline II helixtrans-63.1120.8174.3169.30000108.9L70 M86 E87 M142 K154 L155V68-L70 PolarHBondContact O-N 3.44Å; V68-M86 HydrophobicContact CG1-CB 4.06Å; V68-E87 HydrophobicContact CG1-CB 4.1Å; V68-M142 HydrophobicContact CG2-CB 4.08Å; V68-M142 HydrophobicContact CG2-CG 3.79Å; V68-K154 HydrophobicContact CG2-CB 3.75Å; V68-K154 HydrophobicContact CG2-CD 4.42Å; V68-L155 PolarHBondContact N-O 3.49Å
69K96.4Very high94.3Very high98 Ų9858.1 Ų58.143%0.42629%0.29SS..PPolyproline II helixtrans-69.9130.9-172.7-173.3173-177.51750111.8I67 F71 M86 E87I67-K69 PolarHBondContact O-N 3.47Å; K69-F71 HydrophobicContact CB-CE2 4.23Å; K69-F71 HydrophobicContact CD-CE1 4.33Å; K69-F71 HydrophobicContact CD-CE2 4.22Å; K69-F71 HydrophobicContact CD-CZ 4Å; K69-F71 HydrophobicContact CG-CD2 4.46Å; K69-F71 HydrophobicContact CG-CE2 4.26Å; K69-M86 CarbonylContact O-C 3.53Å; K69-M86 VanDerWaalsContact O-CA 3.27Å; K69-M86 WeakPolarHBondContact O-CA 3.39Å; K69-E87 HydrophobicContact CB-CB 4.17Å; K69-E87 PolarHBondContact N-OE2 3.48Å; K69-E87 PolarHBondContact O-N 2.93Å
70L96.4Very high94.1Very high30 Ų3066 Ų6616%0.15732%0.32CS..EExtended strand (participates in β ladder)trans-82.4122.7164.518065.8000109.3L59 K60 V68 V73 L84 M86L59-L70 HydrophobicContact CB-CB 4.18Å; L59-L70 HydrophobicContact CB-CD2 3.7Å; L59-L70 HydrophobicContact CB-CG 4.47Å; K60-L70 HydrophobicContact CG-CD2 4.49Å; V68-L70 PolarHBondContact O-N 3.44Å; L70-V73 HydrophobicContact CD2-CG2 4.14Å; L70-L84 HydrophobicContact CD1-CB 4.06Å; L70-L84 HydrophobicContact CD1-CD2 3.71Å; L70-L84 HydrophobicContact CD1-CG 4.48Å; L70-L84 HydrophobicContact CD2-CD2 4.38Å; L70-M86 HydrophobicContact CD1-CG 4.21Å
71F95.5Very high94Very high94 Ų9462.4 Ų62.441%0.41231%0.305SS..EExtended strand (participates in β ladder)trans-94.4-44.8177-79.2-89.5000112.4Y35 K69 V85 E87Y35-F71 HydrophobicContact CD1-CD2 4Å; Y35-F71 HydrophobicContact CD1-CE2 4.38Å; Y35-F71 HydrophobicContact CD1-CG 4.27Å; Y35-F71 HydrophobicContact CE1-CB 4.38Å; Y35-F71 HydrophobicContact CE1-CD1 4.05Å; Y35-F71 AromaticContact CE1-CD2 3.88Å; Y35-F71 HydrophobicContact CE1-CD2 3.88Å; Y35-F71 HydrophobicContact CE1-CE1 4.27Å; Y35-F71 HydrophobicContact CE1-CE2 4.11Å; Y35-F71 AromaticContact CE1-CG 3.84Å; Y35-F71 HydrophobicContact CE1-CG 3.84Å; Y35-F71 HydrophobicContact CE1-CZ 4.3Å; K69-F71 HydrophobicContact CB-CE2 4.23Å; K69-F71 HydrophobicContact CD-CE1 4.33Å; K69-F71 HydrophobicContact CD-CE2 4.22Å; K69-F71 HydrophobicContact CD-CZ 4Å; K69-F71 HydrophobicContact CG-CD2 4.46Å; K69-F71 HydrophobicContact CG-CE2 4.26Å; F71-V85 HydrophobicContact CB-CG1 4.4Å; F71-V85 PolarHBondContact N-O 2.69Å; F71-E87 HydrophobicContact CE2-CB 3.98Å
72A94.1Very high93.8Very high24 Ų2462 Ų6220%0.19830%0.303CS..EExtended strand (participates in β ladder)trans-155.2157.4-176.700000112.1Y7 E74 V85Y7-A72 HydrophobicContact CE2-CB 4.48Å; A72-E74 HydrophobicContact CB-CG 4.31Å; A72-V85 HydrophobicContact CB-CB 4.18Å; A72-V85 HydrophobicContact CB-CG2 4.38Å; A72-V85 PolarHBondContact N-O 3.44Å; A72-V85 PolarHBondContact O-N 3.09Å
73V93.7Very high93.8Very high55 Ų5561.4 Ų61.433%0.33330%0.3SS..EExtended strand (participates in β ladder)trans-115.6117.3165.5-176.90000106.6F56 L70 K82 V83 L84F56-V73 HydrophobicContact CD1-CB 4.34Å; F56-V73 HydrophobicContact CD1-CG1 3.57Å; F56-V73 HydrophobicContact CD1-CG2 3.8Å; F56-V73 HydrophobicContact CE1-CG1 3.56Å; F56-V73 HydrophobicContact CE1-CG2 4.43Å; L70-V73 HydrophobicContact CD2-CG2 4.14Å; V73-K82 HydrophobicContact CG1-CD 4.34Å; V73-V83 WeakPolarHBondContact CA-O 3.36Å; V73-L84 HydrophobicContact CG2-CD2 4.02Å
74E94.4Very high93.8Very high28 Ų2855.6 Ų55.613%0.13127%0.269CS..EExtended strand (participates in β ladder)trans-126.7172-179.3-65.8-161.9177.700111.1T4 N6 Y7 A72 K82 V83T4-E74 WeakPolarHBondContact CB-OE2 3.38Å; T4-E74 HydrophobicContact CG2-CB 3.81Å; T4-E74 PolarHBondContact OG1-OE2 3.49Å; N6-E74 WeakPolarHBondContact CB-OE1 3.37Å; N6-E74 PolarHBondContact N-OE2 2.99Å; N6-E74 VanDerWaalsContact N-OE2 3.11Å; N6-E74 PolarHBondContact ND2-OE1 3.11Å; Y7-E74 WeakPolarHBondContact CE2-OE1 3.47Å; A72-E74 HydrophobicContact CB-CG 4.31Å; E74-K82 CarbonylContact O-C 3.58Å; E74-K82 VanDerWaalsContact O-CA 3.32Å; E74-K82 WeakPolarHBondContact O-CA 3.33Å; E74-V83 HydrophobicContact CB-CG2 4.25Å; E74-V83 PolarHBondContact N-O 3.39Å; E74-V83 VanDerWaalsContact N-O 3.14Å; E74-V83 PolarHBondContact O-N 2.91Å
75E93.8Very high93.7Very high90 Ų9052.9 Ų52.942%0.42126%0.257SS..EExtended strand (participates in β ladder)trans-104.6135.9173.5-67.8178.3-179.600110.3T4 R80 H81T4-E75 WeakPolarHBondContact CA-O 3.35Å; T4-E75 WeakPolarHBondContact CB-O 3.47Å; T4-E75 WeakPolarHBondContact CG2-O 3.47Å; E75-R80 IonicContact OE2-NH1 3.7Å; E75-R80 PolarHBondContact OE2-NH1 2.92Å; E75-H81 WeakPolarHBondContact CA-O 3.43Å
76E93.8Very high93.7Very high2 Ų247.8 Ų47.81%0.00924%0.235CC..  trans-67138.5170.4-164.6-73.9137.100109.8W9 N78 T79 R80 H81 V83W9-E76 HydrophobicContact CH2-CG 4.02Å; W9-E76 HydrophobicContact CZ2-CG 4.04Å; E76-N78 VanDerWaalsContact C-N 3.33Å; E76-N78 PolarHBondContact O-N 2.9Å; E76-N78 PolarHBondContact OE1-N 3.45Å; E76-N78 PolarHBondContact OE1-ND2 2.8Å; E76-N78 WeakPolarHBondContact OE2-CA 3.45Å; E76-N78 WeakPolarHBondContact OE2-CB 3.14Å; E76-N78 PolarHBondContact OE2-N 3.1Å; E76-T79 WeakPolarHBondContact OE2-CB 3.45Å; E76-T79 PolarHBondContact OE2-N 3.23Å; E76-T79 PolarHBondContact OE2-OG1 3.47Å; E76-R80 VanDerWaalsContact O-CA 3.26Å; E76-R80 WeakPolarHBondContact O-CA 3.47Å; E76-R80 PolarHBondContact O-N 3.25Å; E76-H81 PolarHBondContact N-O 3.14Å; E76-V83 HydrophobicContact CB-CG1 4.18Å
77T92.5Very high93.6Very high69 Ų6949.9 Ų49.942%0.42324%0.244SC..THydrogen-bonded Turntrans-62.1-37.6-165.4-53.40000112.8S3S3-T77 VanDerWaalsContact C-OG1 3.3Å; S3-T77 WeakPolarHBondContact O-CB 3.48Å; S3-T77 PolarHBondContact O-N 3.04Å; S3-T77 PolarHBondContact O-OG1 3.25Å; S3-T77 PolarHBondContact OG-OG1 3.39Å
78N89.4Confident93.6Very high128 Ų12852.1 Ų52.168%0.68425%0.253SS*.THydrogen-bonded Turntrans-92.2-43.8-173-57-67.4000112.3E76E76-N78 VanDerWaalsContact C-N 3.33Å; E76-N78 PolarHBondContact O-N 2.9Å; E76-N78 PolarHBondContact OE1-N 3.45Å; E76-N78 PolarHBondContact OE1-ND2 2.8Å; E76-N78 WeakPolarHBondContact OE2-CA 3.45Å; E76-N78 WeakPolarHBondContact OE2-CB 3.14Å; E76-N78 PolarHBondContact OE2-N 3.1Å
79T88.3Confident93.6Very high69 Ų6952.4 Ų52.442%0.42326%0.255SS..THydrogen-bonded Turntrans-92.8-16.9-172.457.20000113.2E76 H81E76-T79 WeakPolarHBondContact OE2-CB 3.45Å; E76-T79 PolarHBondContact OE2-N 3.23Å; E76-T79 PolarHBondContact OE2-OG1 3.47Å; T79-H81 PolarHBondContact O-CD2 2.89Å; T79-H81 PolarHBondContact O-N 2.85Å; T79-H81 VanDerWaalsContact O-N 3.08Å; T79-H81 WeakPolarHBondContact OG1-CB 3.23Å; T79-H81 PolarHBondContact OG1-N 2.95Å
80R87.2Confident93.6Very high172 Ų17251.7 Ų51.765%0.64926%0.26SS*.  trans58.612.9-171-57-59.5-165.4149.6-1.3114.2E75 E76E75-R80 IonicContact OE2-NH1 3.7Å; E75-R80 PolarHBondContact OE2-NH1 2.92Å; E76-R80 VanDerWaalsContact O-CA 3.26Å; E76-R80 WeakPolarHBondContact O-CA 3.47Å; E76-R80 PolarHBondContact O-N 3.25Å
81H87Confident93.6Very high49 Ų4952.1 Ų52.123%0.22727%0.265CS..  trans-70.6137.3175.8-72.1172.8000110.2F45 E75 E76 T79F45-H81 AromaticContact CD2-CE1 3.59Å; F45-H81 AromaticContact CD2-ND1 3.77Å; F45-H81 AromaticContact CD2-NE2 3.87Å; F45-H81 HydrophobicContact CE1-CB 4.22Å; F45-H81 AromaticContact CE1-CD2 3.93Å; F45-H81 AromaticContact CE1-CG 3.99Å; F45-H81 HydrophobicContact CE2-CB 3.9Å; F45-H81 AromaticContact CE2-CD2 3.82Å; F45-H81 AromaticContact CE2-CE1 3.5Å; F45-H81 VanDerWaalsContact CE2-CE1 3.5Å; F45-H81 WeakPolarHBondContact CE2-CE1 3.42Å; F45-H81 AromaticContact CE2-CG 3.37Å; F45-H81 AromaticContact CE2-ND1 3.16Å; F45-H81 WeakPolarHBondContact CE2-ND1 3.16Å; F45-H81 AromaticContact CE2-NE2 3.9Å; F45-H81 HydrophobicContact CZ-CB 3.44Å; F45-H81 VanDerWaalsContact CZ-CB 3.44Å; F45-H81 AromaticContact CZ-CD2 3.7Å; F45-H81 AromaticContact CZ-CG 3.31Å; F45-H81 AromaticContact CZ-ND1 3.65Å; E75-H81 WeakPolarHBondContact CA-O 3.43Å; E76-H81 PolarHBondContact N-O 3.14Å; T79-H81 PolarHBondContact O-CD2 2.89Å; T79-H81 PolarHBondContact O-N 2.85Å; T79-H81 VanDerWaalsContact O-N 3.08Å; T79-H81 WeakPolarHBondContact OG1-CB 3.23Å; T79-H81 PolarHBondContact OG1-N 2.95Å
82K88.8Confident93.6Very high79 Ų7948.7 Ų48.734%0.34326%0.256SS..EExtended strand (participates in β ladder)trans-63.1142.9174.4-68.5-173.9179.9-178.60110.5F40 M53 F56 V73 E74F40-K82 WeakPolarHBondContact CD2-O 3.46Å; M53-K82 HydrophobicContact SD-CD 4.27Å; M53-K82 PolarHBondContact SD-NZ 3.28Å; F56-K82 HydrophobicContact CE1-CB 3.93Å; F56-K82 HydrophobicContact CE1-CD 4.32Å; F56-K82 HydrophobicContact CZ-CB 3.68Å; F56-K82 HydrophobicContact CZ-CD 4.22Å; V73-K82 HydrophobicContact CG1-CD 4.34Å; E74-K82 CarbonylContact O-C 3.58Å; E74-K82 VanDerWaalsContact O-CA 3.32Å; E74-K82 WeakPolarHBondContact O-CA 3.33Å
83V93.2Very high93.7Very high0 Ų048.1 Ų48.10%025%0.251CS..EExtended strand (participates in β ladder)trans-130.2148172.5-54.70000109.8T4 W9 V37 K38 V39 V73 E74 E76T4-V83 HydrophobicContact CG2-CG2 3.38Å; W9-V83 HydrophobicContact CH2-CG1 4.41Å; V37-V83 HydrophobicContact CG1-CB 4.13Å; V37-V83 HydrophobicContact CG1-CG2 4.15Å; K38-V83 WeakPolarHBondContact O-CA 3.43Å; K38-V83 WeakPolarHBondContact O-CB 3.28Å; V39-V83 HydrophobicContact CB-CG1 4.37Å; V39-V83 HydrophobicContact CG1-CG1 4.22Å; V39-V83 HydrophobicContact CG2-CG1 4.02Å; V73-V83 WeakPolarHBondContact CA-O 3.36Å; E74-V83 HydrophobicContact CB-CG2 4.25Å; E74-V83 PolarHBondContact N-O 3.39Å; E74-V83 VanDerWaalsContact N-O 3.14Å; E74-V83 PolarHBondContact O-N 2.91Å; E76-V83 HydrophobicContact CB-CG1 4.18Å
84L95Very high93.9Very high0 Ų045.5 Ų45.50%024%0.235CC..EExtended strand (participates in β ladder)trans-97.5126.9172.5-61.3168.5000109.1V37 K38 F40 E55 F56 L59 L70 V73 M86V37-L84 CarbonylContact C-O 3.22Å; V37-L84 WeakPolarHBondContact CA-O 3.35Å; K38-L84 HydrophobicContact CB-CB 4.16Å; K38-L84 HydrophobicContact CD-CD1 4.21Å; K38-L84 PolarHBondContact N-O 2.95Å; K38-L84 PolarHBondContact O-N 3.16Å; F40-L84 HydrophobicContact CE2-CD1 4.17Å; F40-L84 HydrophobicContact CE2-CG 4.09Å; F40-L84 HydrophobicContact CZ-CD1 3.83Å; F40-L84 HydrophobicContact CZ-CG 4.26Å; E55-L84 HydrophobicContact CG-CD1 4.04Å; F56-L84 HydrophobicContact CD1-CD2 3.17Å; F56-L84 HydrophobicContact CD1-CG 4.1Å; F56-L84 HydrophobicContact CE1-CD2 3.28Å; F56-L84 HydrophobicContact CE1-CG 3.73Å; F56-L84 HydrophobicContact CG-CD2 4.07Å; F56-L84 HydrophobicContact CZ-CD2 4.27Å; F56-L84 HydrophobicContact CZ-CG 4.36Å; L59-L84 HydrophobicContact CD1-CD1 3.88Å; L59-L84 HydrophobicContact CD1-CD2 4.48Å; L70-L84 HydrophobicContact CD1-CB 4.06Å; L70-L84 HydrophobicContact CD1-CD2 3.71Å; L70-L84 HydrophobicContact CD1-CG 4.48Å; L70-L84 HydrophobicContact CD2-CD2 4.38Å; V73-L84 HydrophobicContact CG2-CD2 4.02Å; L84-M86 HydrophobicContact CB-CG 4.14Å; L84-M86 HydrophobicContact CB-SD 4.33Å
85V97Very high94Very high0 Ų049.5 Ų49.50%025%0.25CC..EExtended strand (participates in β ladder)trans-101.2114.6171.7-1760000108.1Y7 Y35 F71 A72Y7-V85 HydrophobicContact CD1-CG1 3.89Å; Y7-V85 HydrophobicContact CD2-CG1 4.36Å; Y7-V85 HydrophobicContact CD2-CG2 3.76Å; Y7-V85 HydrophobicContact CE1-CG1 3.54Å; Y7-V85 HydrophobicContact CE2-CB 4.39Å; Y7-V85 HydrophobicContact CE2-CG1 4.06Å; Y7-V85 HydrophobicContact CE2-CG2 3.88Å; Y7-V85 HydrophobicContact CG-CG1 4.3Å; Y7-V85 HydrophobicContact CG-CG2 4.13Å; Y35-V85 HydrophobicContact CD1-CG1 3.78Å; Y35-V85 HydrophobicContact CG-CG1 3.9Å; F71-V85 HydrophobicContact CB-CG1 4.4Å; F71-V85 PolarHBondContact N-O 2.69Å; A72-V85 HydrophobicContact CB-CB 4.18Å; A72-V85 HydrophobicContact CB-CG2 4.38Å; A72-V85 PolarHBondContact N-O 3.44Å; A72-V85 PolarHBondContact O-N 3.09Å
86M97.1Very high94Very high9 Ų948.6 Ų48.64%0.04425%0.25CS..EExtended strand (participates in β ladder)trans-123.9163.4-170.5-56.6179.8-57.900111.4V23 A36 K38 V68 K69 L70 L84 Y88V23-M86 HydrophobicContact CG1-CE 4.47Å; A36-M86 HydrophobicContact CB-CB 4.37Å; A36-M86 HydrophobicContact CB-CE 4.42Å; A36-M86 PolarHBondContact N-O 3.41Å; A36-M86 PolarHBondContact O-N 3.4Å; K38-M86 HydrophobicContact CB-CE 3.85Å; K38-M86 HydrophobicContact CD-CE 4.47Å; V68-M86 HydrophobicContact CG1-CB 4.06Å; K69-M86 CarbonylContact O-C 3.53Å; K69-M86 VanDerWaalsContact O-CA 3.27Å; K69-M86 WeakPolarHBondContact O-CA 3.39Å; L70-M86 HydrophobicContact CD1-CG 4.21Å; L84-M86 HydrophobicContact CB-CG 4.14Å; L84-M86 HydrophobicContact CB-SD 4.33Å; M86-Y88 PolarHBondContact O-N 3.09Å
87E96.9Very high94.2Very high43 Ų4348.9 Ų48.920%0.20125%0.253CS..EExtended strand (participates in β ladder)trans-51.5131.1168.7-177.6-179.5-176.100110.9V68 K69 F71 K154V68-E87 HydrophobicContact CG1-CB 4.1Å; K69-E87 HydrophobicContact CB-CB 4.17Å; K69-E87 PolarHBondContact N-OE2 3.48Å; K69-E87 PolarHBondContact O-N 2.93Å; F71-E87 HydrophobicContact CE2-CB 3.98Å; E87-K154 VanDerWaalsContact CD-NZ 3.32Å; E87-K154 VanDerWaalsContact OE1-CE 3.22Å; E87-K154 WeakPolarHBondContact OE1-CE 3.34Å; E87-K154 IonicContact OE1-NZ 3.92Å; E87-K154 PolarHBondContact OE1-NZ 3.37Å; E87-K154 IonicContact OE2-NZ 3.88Å; E87-K154 PolarHBondContact OE2-NZ 3.49Å
88Y97.7Very high94.3Very high52 Ų5246.1 Ų46.120%0.20424%0.235CC..  trans-87.5120.7173175.2-125000110.2L15 R25 L34 M86 P90L15-Y88 HydrophobicContact CD1-CD2 3.81Å; L15-Y88 HydrophobicContact CD1-CE2 3.73Å; L15-Y88 HydrophobicContact CD2-CE2 3.92Å; L15-Y88 HydrophobicContact CG-CE2 4.5Å; R25-Y88 HydrophobicContact CG-CE2 4.27Å; L34-Y88 HydrophobicContact CB-CD1 3.79Å; L34-Y88 HydrophobicContact CB-CE1 4.46Å; L34-Y88 HydrophobicContact CB-CG 4.42Å; L34-Y88 HydrophobicContact CD1-CD1 4.22Å; L34-Y88 HydrophobicContact CD1-CE1 4.11Å; M86-Y88 PolarHBondContact O-N 3.09Å; Y88-P90 HydrophobicContact CD1-CB 4.48Å; Y88-P90 HydrophobicContact CE1-CB 3.84Å; Y88-P90 VanDerWaalsContact O-CD 3.31Å; Y88-P90 WeakPolarHBondContact O-CD 3.31Å
89C97.5Very high94.4Very high9 Ų941.9 Ų41.96%0.06121%0.211CC..  trans-100.7100.7176-56.80000110.2C91 M142 V144C89-C91 VanDerWaalsContact C-N 3.27Å; C89-C91 PolarHBondContact O-N 3.47Å; C89-M142 HydrophobicContact CB-CB 3.84Å; C89-M142 HydrophobicContact CB-CE 3.85Å; C89-M142 HydrophobicContact CB-CG 4.44Å; C89-V144 HydrophobicContact CB-CG1 3.69Å
90P95.8Very high94.5Very high83 Ų8343 Ų4354%0.53921%0.211SC..THydrogen-bonded Turntrans-70.6-20.4-170.827.5-35.5000113.9Y88 G92Y88-P90 HydrophobicContact CD1-CB 4.48Å; Y88-P90 HydrophobicContact CE1-CB 3.84Å; Y88-P90 VanDerWaalsContact O-CD 3.31Å; Y88-P90 WeakPolarHBondContact O-CD 3.31Å; P90-G92 VanDerWaalsContact C-N 3.27Å; P90-G92 PolarHBondContact O-N 3.03Å
91C96.4Very high94.6Very high40 Ų4035.4 Ų35.427%0.2719%0.185SC..THydrogen-bonded Turntrans-88.411.8-176-560000113.8C89 R143C89-C91 VanDerWaalsContact C-N 3.27Å; C89-C91 PolarHBondContact O-N 3.47Å; C91-R143 HydrophobicContact CB-CB 4.17Å; C91-R143 HydrophobicContact CB-CG 4.08Å; C91-R143 WeakPolarHBondContact CB-O 3.3Å
92G95.6Very high94.8Very high21 Ų2134.9 Ų34.922%0.21619%0.185CC..  trans71.5-152.2-179.700000112.6P90 M142 R143P90-G92 VanDerWaalsContact C-N 3.27Å; P90-G92 PolarHBondContact O-N 3.03Å; G92-M142 WeakPolarHBondContact O-CE 3.49Å; G92-R143 PolarHBondContact O-N 3.23Å
93S97.3Very high95.1Very high13 Ų1331.6 Ų31.69%0.09117%0.171CC..BIsolated β-bridgetrans-111.9169.8-179.964.40000112Y95 T96 V97 P138 I141S93-Y95 PolarHBondContact O-N 2.87Å; S93-T96 PolarHBondContact N-OG1 2.67Å; S93-T96 WeakPolarHBondContact O-CA 3.41Å; S93-T96 VanDerWaalsContact O-CB 3.23Å; S93-T96 WeakPolarHBondContact O-CB 3.38Å; S93-T96 PolarHBondContact O-N 3.43Å; S93-V97 PolarHBondContact O-N 2.83Å; S93-P138 WeakPolarHBondContact CB-O 3.34Å; S93-I141 CarbonylContact C-O 3.59Å; S93-I141 WeakPolarHBondContact CA-O 3.3Å; S93-I141 WeakPolarHBondContact CB-O 3.46Å
94L98.2Very high95.1Very high0 Ų033.1 Ų33.10%018%0.184CC..Hα-helixtrans-55.3-32.3171.6178.562000111T96 V97 L98 L107 V115 P138 I141 Y153 T210L94-T96 VanDerWaalsContact C-N 3.32Å; L94-T96 PolarHBondContact O-N 3.43Å; L94-V97 PolarHBondContact O-N 2.83Å; L94-L98 HydrophobicContact CD1-CG 4.3Å; L94-L98 HydrophobicContact CG-CD1 4.19Å; L94-L98 HydrophobicContact CG-CG 4.37Å; L94-L98 WeakPolarHBondContact O-CG 3.34Å; L94-L98 PolarHBondContact O-N 3.44Å; L94-L107 HydrophobicContact CD1-CD1 4.1Å; L94-V115 HydrophobicContact CD1-CG2 3.89Å; L94-V115 HydrophobicContact CD2-CG1 3.89Å; L94-V115 HydrophobicContact CD2-CG2 4.5Å; L94-P138 HydrophobicContact CB-CB 4.19Å; L94-P138 HydrophobicContact CD2-CB 4.31Å; L94-P138 HydrophobicContact CG-CB 4.09Å; L94-P138 PolarHBondContact N-O 3.02Å; L94-I141 HydrophobicContact CB-CB 4.03Å; L94-I141 HydrophobicContact CB-CG2 4.18Å; L94-I141 HydrophobicContact CD2-CB 4.49Å; L94-I141 HydrophobicContact CD2-CD1 3.98Å; L94-I141 HydrophobicContact CD2-CG2 4.45Å; L94-I141 PolarHBondContact N-O 3.49Å; L94-Y153 HydrophobicContact CB-CD1 4.45Å; L94-Y153 HydrophobicContact CB-CE1 4.12Å; L94-Y153 HydrophobicContact CD1-CE1 3.89Å; L94-T210 HydrophobicContact CD2-CG2 4.2Å
95Y95.8Very high95.1Very high111 Ų11135.5 Ų35.544%0.43519%0.193SC..Hα-helixtrans-58.9-43.5171.1-178.2-105000112.1S93 V97 L98 E99 P138S93-Y95 PolarHBondContact O-N 2.87Å; Y95-V97 VanDerWaalsContact C-N 3.29Å; Y95-V97 PolarHBondContact O-N 2.85Å; Y95-L98 PolarHBondContact O-N 3.33Å; Y95-E99 HydrophobicContact CD1-CG 4.18Å; Y95-E99 HydrophobicContact CE1-CG 3.74Å; Y95-E99 HydrophobicContact CE2-CG 4.09Å; Y95-E99 VanDerWaalsContact O-CG 3.31Å; Y95-E99 WeakPolarHBondContact O-CG 3.28Å; Y95-E99 PolarHBondContact O-N 3.19Å; Y95-E99 PolarHBondContact OH-OE1 3.43Å; Y95-P138 PolarHBondContact N-O 3.45Å
96T93.9Very high95.1Very high71 Ų7135.5 Ų35.544%0.43619%0.194SC..Hα-helixtrans-60.1-41.3175.6-49.80000111.5S93 L94 E99S93-T96 PolarHBondContact N-OG1 2.67Å; S93-T96 WeakPolarHBondContact O-CA 3.41Å; S93-T96 VanDerWaalsContact O-CB 3.23Å; S93-T96 WeakPolarHBondContact O-CB 3.38Å; S93-T96 PolarHBondContact O-N 3.43Å; L94-T96 VanDerWaalsContact C-N 3.32Å; L94-T96 PolarHBondContact O-N 3.43Å; T96-E99 PolarHBondContact O-N 2.83Å
97V96.8Very high95.1Very high9 Ų935.1 Ų35.16%0.05519%0.192CC..Hα-helixtrans-65.6-42.1177.6-178.40000111.7S93 L94 Y95 E99 E100 N103 L107S93-V97 PolarHBondContact O-N 2.83Å; L94-V97 PolarHBondContact O-N 2.83Å; Y95-V97 VanDerWaalsContact C-N 3.29Å; Y95-V97 PolarHBondContact O-N 2.85Å; V97-E99 VanDerWaalsContact C-N 3.29Å; V97-E99 PolarHBondContact O-N 2.78Å; V97-E100 VanDerWaalsContact O-CB 3.32Å; V97-E100 WeakPolarHBondContact O-CB 3.46Å; V97-E100 WeakPolarHBondContact O-CG 3.48Å; V97-E100 PolarHBondContact O-N 2.99Å; V97-N103 PolarHBondContact O-ND2 2.97Å; V97-L107 HydrophobicContact CG1-CD2 3.76Å
98L95.7Very high95.1Very high10 Ų1035.4 Ų35.45%0.05220%0.197CC..Hα-helixtrans-71.8-22.5178.4-65.3175.7000113.1L94 Y95 E100 L107 P138L94-L98 HydrophobicContact CD1-CG 4.3Å; L94-L98 HydrophobicContact CG-CD1 4.19Å; L94-L98 HydrophobicContact CG-CG 4.37Å; L94-L98 WeakPolarHBondContact O-CG 3.34Å; L94-L98 PolarHBondContact O-N 3.44Å; Y95-L98 PolarHBondContact O-N 3.33Å; L98-E100 VanDerWaalsContact C-N 3.26Å; L98-E100 PolarHBondContact O-N 2.98Å; L98-L107 HydrophobicContact CD2-CD1 4.49Å; L98-L107 HydrophobicContact CD2-CD2 3.88Å; L98-L107 HydrophobicContact CD2-CG 3.92Å; L98-P138 HydrophobicContact CD1-CB 4.04Å; L98-P138 HydrophobicContact CD1-CG 3.96Å
99E90.8Very high95.1Very high40 Ų4034.2 Ų34.219%0.18719%0.193CC..THydrogen-bonded Turntrans-76.6-10.9173.1-74.8-68.4121.400113.2Y95 T96 V97 K416Y95-E99 HydrophobicContact CD1-CG 4.18Å; Y95-E99 HydrophobicContact CE1-CG 3.74Å; Y95-E99 HydrophobicContact CE2-CG 4.09Å; Y95-E99 VanDerWaalsContact O-CG 3.31Å; Y95-E99 WeakPolarHBondContact O-CG 3.28Å; Y95-E99 PolarHBondContact O-N 3.19Å; Y95-E99 PolarHBondContact OH-OE1 3.43Å; T96-E99 PolarHBondContact O-N 2.83Å; V97-E99 VanDerWaalsContact C-N 3.29Å; V97-E99 PolarHBondContact O-N 2.78Å; E99-K416 IonicContact OE1-NZ 3.18Å; E99-K416 PolarHBondContact OE1-NZ 3.29Å; E99-K416 WeakPolarHBondContact OE2-CE 3.46Å; E99-K416 IonicContact OE2-NZ 2.86Å; E99-K416 PolarHBondContact OE2-NZ 2.83Å
100E91.2Very high95Very high92 Ų9239.2 Ų39.243%0.4322%0.22SC..SBendtrans-66.3134.1172-63.3177.8178.700110.4V97 L98 T102 N103V97-E100 VanDerWaalsContact O-CB 3.32Å; V97-E100 WeakPolarHBondContact O-CB 3.46Å; V97-E100 WeakPolarHBondContact O-CG 3.48Å; V97-E100 PolarHBondContact O-N 2.99Å; L98-E100 VanDerWaalsContact C-N 3.26Å; L98-E100 PolarHBondContact O-N 2.98Å; E100-T102 PolarHBondContact O-N 3.28Å; E100-T102 VanDerWaalsContact O-N 3.16Å; E100-N103 PolarHBondContact O-N 2.85Å; E100-N103 PolarHBondContact OE2-ND2 3.46Å
101S88.4Confident95.1Very high12 Ų1236.7 Ų36.78%0.08420%0.201CC..G310 helixtrans-57.3-35.5-17649.70000112.8N103 A104 A419 G420S101-N103 PolarHBondContact O-N 3.34Å; S101-A104 WeakPolarHBondContact O-CB 3.35Å; S101-A104 PolarHBondContact O-N 3.26Å; S101-A419 VanDerWaalsContact CB-CB 3.44Å; S101-G420 WeakPolarHBondContact O-CA 3.37Å
102T91.1Very high95.2Very high38 Ų3834.8 Ų34.823%0.23319%0.188CC..G310 helixtrans-64-20.717745.50000113.5E100 W426 K427 L556E100-T102 PolarHBondContact O-N 3.28Å; E100-T102 VanDerWaalsContact O-N 3.16Å; T102-W426 HydrophobicContact CG2-CZ3 4.24Å; T102-K427 VanDerWaalsContact O-CE 3.3Å; T102-K427 WeakPolarHBondContact O-CE 3.44Å; T102-K427 PolarHBondContact O-NZ 3.27Å; T102-L556 HydrophobicContact CG2-CD2 4.5Å
103N95.6Very high95.4Very high10 Ų1035.6 Ų35.65%0.05319%0.187CC..G310 helixtrans-105.910.6-178-58.5-30.5000112.8V97 E100 S101 Y105 G106 L107V97-N103 PolarHBondContact O-ND2 2.97Å; E100-N103 PolarHBondContact O-N 2.85Å; E100-N103 PolarHBondContact OE2-ND2 3.46Å; S101-N103 PolarHBondContact O-N 3.34Å; N103-Y105 PolarHBondContact O-N 2.87Å; N103-G106 PolarHBondContact O-N 3.31Å; N103-L107 HydrophobicContact CB-CD2 4.28Å
104A93.8Very high95.4Very high33 Ų3336.6 Ų36.627%0.27319%0.191SC..THydrogen-bonded Turntrans-57.4-20.7178.500000114S101S101-A104 WeakPolarHBondContact O-CB 3.35Å; S101-A104 PolarHBondContact O-N 3.26Å
105Y94.6Very high95.5Very high49 Ų4936.6 Ų36.619%0.19219%0.191CC..THydrogen-bonded Turntrans-116.120.9178.3-67.3-85.9000113N103 T216 P397 D421 H424N103-Y105 PolarHBondContact O-N 2.87Å; Y105-T216 VanDerWaalsContact C-C 3.41Å; Y105-T216 CarbonylContact C-O 3.54Å; Y105-T216 VanDerWaalsContact C-O 3.23Å; Y105-T216 WeakPolarHBondContact CA-O 3.3Å; Y105-P397 HydrophobicContact CE1-CG 4.26Å; Y105-P397 HydrophobicContact CE2-CG 4.46Å; Y105-P397 WeakPolarHBondContact OH-CB 3.46Å; Y105-P397 WeakPolarHBondContact OH-CG 3.43Å; Y105-D421 PolarHBondContact OH-OD1 3.18Å; Y105-H424 HydrophobicContact CD2-CB 3.5Å; Y105-H424 AromaticContact CD2-CG 3.92Å; Y105-H424 HydrophobicContact CE2-CB 3.7Å; Y105-H424 HydrophobicContact CG-CB 4.21Å; Y105-H424 AromaticContact CG-ND1 3.91Å
106G96.7Very high95.6Very high1 Ų131.3 Ų31.31%0.0117%0.17CC..  trans107.1163.4179.800000113.6N103 A214 T216N103-G106 PolarHBondContact O-N 3.31Å; G106-A214 WeakPolarHBondContact CA-O 3.46Å; G106-T216 VanDerWaalsContact N-C 3.34Å
107L97.9Very high95.8Very high1 Ų131.4 Ų31.41%0.00517%0.165CC..  trans-71.3153.1176.7-65.2178.2000111.4L94 V97 L98 N103 E111 F112 V115 A214 S268L94-L107 HydrophobicContact CD1-CD1 4.1Å; V97-L107 HydrophobicContact CG1-CD2 3.76Å; L98-L107 HydrophobicContact CD2-CD1 4.49Å; L98-L107 HydrophobicContact CD2-CD2 3.88Å; L98-L107 HydrophobicContact CD2-CG 3.92Å; N103-L107 HydrophobicContact CB-CD2 4.28Å; L107-E111 HydrophobicContact CD1-CG 4.29Å; L107-E111 HydrophobicContact CD2-CG 4.46Å; L107-F112 HydrophobicContact CB-CB 4.25Å; L107-V115 HydrophobicContact CD1-CG2 3.83Å; L107-A214 HydrophobicContact CD1-CB 4.02Å; L107-A214 PolarHBondContact N-O 2.83Å; L107-S268 PolarHBondContact O-OG 2.88Å
108P96.3Very high95.9Very high48 Ų4831.4 Ų31.431%0.31217%0.165SC..  trans-50.1146.5157.3-25.937.5000111.6D110 E111 F112P108-D110 VanDerWaalsContact C-N 3.32Å; P108-D110 WeakPolarHBondContact CB-OD1 3.47Å; P108-D110 PolarHBondContact O-N 3.47Å; P108-E111 HydrophobicContact CB-CB 4.45Å; P108-E111 PolarHBondContact O-N 3.29Å; P108-F112 WeakPolarHBondContact O-CB 3.47Å; P108-F112 PolarHBondContact O-N 3.19Å
109E97.5Very high96.1Very high27 Ų2731 Ų3113%0.12616%0.163CC..Hα-helixtrans-62.1-38.1-173.4179.9164.8161.400113.3F112 L113 L269 S270 L273 Y325E109-F112 PolarHBondContact O-N 3.42Å; E109-L113 WeakPolarHBondContact O-CG 3.41Å; E109-L113 PolarHBondContact O-N 2.66Å; E109-L269 HydrophobicContact CB-CD2 4.05Å; E109-L269 HydrophobicContact CG-CD2 4.3Å; E109-S270 VanDerWaalsContact CD-OG 3.31Å; E109-S270 PolarHBondContact OE1-OG 3.29Å; E109-S270 WeakPolarHBondContact OE2-CA 3.48Å; E109-S270 WeakPolarHBondContact OE2-CB 3.43Å; E109-S270 PolarHBondContact OE2-N 2.8Å; E109-S270 PolarHBondContact OE2-OG 3.11Å; E109-S270 VanDerWaalsContact OE2-OG 3.05Å; E109-L273 HydrophobicContact CG-CD2 3.74Å; E109-Y325 WeakPolarHBondContact OE1-CE2 3.23Å; E109-Y325 PolarHBondContact OE1-OH 3.04Å
110D96.1Very high96.4Very high114 Ų11429.3 Ų29.361%0.6116%0.155SC*.Hα-helixtrans-62.5-48174.656.8-28.6000112.1P108 F112 L113 I114P108-D110 VanDerWaalsContact C-N 3.32Å; P108-D110 WeakPolarHBondContact CB-OD1 3.47Å; P108-D110 PolarHBondContact O-N 3.47Å; D110-F112 VanDerWaalsContact C-N 3.34Å; D110-F112 PolarHBondContact O-N 3.12Å; D110-L113 PolarHBondContact O-N 2.9Å; D110-I114 WeakPolarHBondContact O-CG1 3.34Å; D110-I114 PolarHBondContact O-N 3.17Å
111E98Very high96.8Very high30 Ų3026 Ų2614%0.1414%0.144CC..Hα-helixtrans-66-38176.7-169.870.9172.500111.4L107 P108 L113 I114 V115 R143 S151 Y153L107-E111 HydrophobicContact CD1-CG 4.29Å; L107-E111 HydrophobicContact CD2-CG 4.46Å; P108-E111 HydrophobicContact CB-CB 4.45Å; P108-E111 PolarHBondContact O-N 3.29Å; E111-L113 VanDerWaalsContact C-N 3.35Å; E111-L113 PolarHBondContact O-N 3.01Å; E111-I114 PolarHBondContact O-N 3.46Å; E111-V115 WeakPolarHBondContact O-CG2 3.4Å; E111-V115 PolarHBondContact O-N 2.7Å; E111-R143 IonicContact OE1-NE 2.85Å; E111-S151 VanDerWaalsContact CD-OG 3.27Å; E111-S151 WeakPolarHBondContact OE1-CB 3.45Å; E111-S151 PolarHBondContact OE1-OG 3.42Å; E111-S151 PolarHBondContact OE2-OG 3.04Å; E111-Y153 PolarHBondContact OE1-OH 3.41Å
112F98.8Very high97.2Very high0 Ų025.4 Ų25.40%014%0.14CC..Hα-helixtrans-60.6-42.6174.9178.1-90.5000112L107 P108 E109 D110 I114 V115 L116 F211 A214 A215 L269 L273 L277L107-F112 HydrophobicContact CB-CB 4.25Å; P108-F112 WeakPolarHBondContact O-CB 3.47Å; P108-F112 PolarHBondContact O-N 3.19Å; E109-F112 PolarHBondContact O-N 3.42Å; D110-F112 VanDerWaalsContact C-N 3.34Å; D110-F112 PolarHBondContact O-N 3.12Å; F112-I114 VanDerWaalsContact C-N 3.3Å; F112-I114 PolarHBondContact O-N 3.35Å; F112-V115 WeakPolarHBondContact O-CB 3.45Å; F112-V115 PolarHBondContact O-N 2.86Å; F112-L116 HydrophobicContact CE1-CB 4.41Å; F112-L116 HydrophobicContact CE1-CD2 4.48Å; F112-L116 WeakPolarHBondContact O-CB 3.37Å; F112-L116 PolarHBondContact O-N 3.16Å; F112-F211 HydrophobicContact CE2-CB 4.47Å; F112-F211 WeakPolarHBondContact CE2-O 3.42Å; F112-F211 HydrophobicContact CZ-CB 4.43Å; F112-A214 HydrophobicContact CD2-CB 4.04Å; F112-A214 HydrophobicContact CE2-CB 4.12Å; F112-A215 HydrophobicContact CD2-CB 4.19Å; F112-A215 HydrophobicContact CE2-CB 3.8Å; F112-A215 HydrophobicContact CZ-CB 4.41Å; F112-L269 HydrophobicContact CB-CD2 3.89Å; F112-L269 HydrophobicContact CD1-CD1 4.06Å; F112-L269 HydrophobicContact CD1-CD2 4.18Å; F112-L269 HydrophobicContact CD2-CD1 4.45Å; F112-L269 HydrophobicContact CE1-CD1 4.14Å; F112-L269 HydrophobicContact CG-CD1 4.24Å; F112-L269 HydrophobicContact CG-CD2 3.96Å; F112-L269 HydrophobicContact CZ-CD1 4.38Å; F112-L273 HydrophobicContact CD1-CD2 3.95Å; F112-L273 HydrophobicContact CE1-CD2 4.31Å; F112-L277 HydrophobicContact CE1-CD1 4.3Å; F112-L277 HydrophobicContact CE1-CD2 3.62Å; F112-L277 HydrophobicContact CE2-CD2 4.29Å; F112-L277 HydrophobicContact CZ-CD1 4.04Å; F112-L277 HydrophobicContact CZ-CD2 3.35Å; F112-L277 HydrophobicContact CZ-CG 4.35Å
113L98.6Very high97.5Very high39 Ų3923.8 Ų23.820%0.20413%0.13CC..Hα-helixtrans-64.6-34.2176.8-73.5172.5000112.3E109 D110 E111 L116 H117 L273 L306 Y325E109-L113 WeakPolarHBondContact O-CG 3.41Å; E109-L113 PolarHBondContact O-N 2.66Å; D110-L113 PolarHBondContact O-N 2.9Å; E111-L113 VanDerWaalsContact C-N 3.35Å; E111-L113 PolarHBondContact O-N 3.01Å; L113-L116 HydrophobicContact CD2-CD2 4.35Å; L113-L116 PolarHBondContact O-N 3.41Å; L113-H117 VanDerWaalsContact O-CB 3.31Å; L113-H117 WeakPolarHBondContact O-CB 3.46Å; L113-H117 PolarHBondContact O-N 3.24Å; L113-L273 HydrophobicContact CD2-CD1 4.03Å; L113-L273 HydrophobicContact CD2-CD2 4.07Å; L113-L273 HydrophobicContact CG-CD2 4.31Å; L113-L306 HydrophobicContact CD2-CD2 4.41Å; L113-Y325 HydrophobicContact CD1-CE1 4.43Å
114I98.6Very high97.5Very high33 Ų3326 Ų2617%0.16914%0.142CC..Hα-helixtrans-65.4-46.1172.9-62.9169.2000110.3D110 E111 F112 L116 H117 D118 S151 Y153D110-I114 WeakPolarHBondContact O-CG1 3.34Å; D110-I114 PolarHBondContact O-N 3.17Å; E111-I114 PolarHBondContact O-N 3.46Å; F112-I114 VanDerWaalsContact C-N 3.3Å; F112-I114 PolarHBondContact O-N 3.35Å; I114-L116 VanDerWaalsContact C-N 3.35Å; I114-L116 PolarHBondContact O-N 3.1Å; I114-H117 PolarHBondContact O-N 3.07Å; I114-D118 WeakPolarHBondContact O-CB 3.36Å; I114-D118 PolarHBondContact O-N 3.35Å; I114-S151 VanDerWaalsContact CG2-O 3.29Å; I114-S151 WeakPolarHBondContact CG2-O 3.43Å; I114-Y153 HydrophobicContact CG2-CD2 3.94Å; I114-Y153 HydrophobicContact CG2-CE2 4.06Å
115V98.8Very high97.7Very high0 Ų025.1 Ų25.10%013%0.132CC..Hα-helixtrans-57.4-48.4174.3172.90000110.9L94 L107 E111 F112 D118 V119 Y153 F211L94-V115 HydrophobicContact CD1-CG2 3.89Å; L94-V115 HydrophobicContact CD2-CG1 3.89Å; L94-V115 HydrophobicContact CD2-CG2 4.5Å; L107-V115 HydrophobicContact CD1-CG2 3.83Å; E111-V115 WeakPolarHBondContact O-CG2 3.4Å; E111-V115 PolarHBondContact O-N 2.7Å; F112-V115 WeakPolarHBondContact O-CB 3.45Å; F112-V115 PolarHBondContact O-N 2.86Å; V115-D118 PolarHBondContact O-N 3.19Å; V115-V119 HydrophobicContact CG1-CG2 4.13Å; V115-V119 VanDerWaalsContact O-CB 3.27Å; V115-V119 WeakPolarHBondContact O-CB 3.28Å; V115-V119 VanDerWaalsContact O-CG2 3.22Å; V115-V119 WeakPolarHBondContact O-CG2 3.41Å; V115-V119 PolarHBondContact O-N 2.97Å; V115-Y153 HydrophobicContact CB-CD2 4.45Å; V115-Y153 HydrophobicContact CB-CE2 4.34Å; V115-Y153 HydrophobicContact CG2-CD2 3.77Å; V115-Y153 HydrophobicContact CG2-CE1 4.09Å; V115-Y153 HydrophobicContact CG2-CE2 3.28Å; V115-Y153 HydrophobicContact CG2-CG 4.34Å; V115-Y153 VanDerWaalsContact CG2-CZ 3.42Å; V115-F211 HydrophobicContact CG1-CD1 4.5Å; V115-F211 HydrophobicContact CG1-CE1 4.31Å
116L98.8Very high97.7Very high0 Ų022.8 Ų22.80%012%0.123CC..Hα-helixtrans-56.8-53.4178.6177.764.3000110.6F112 L113 I114 D118 V120 F211 T302 I305 L306F112-L116 HydrophobicContact CE1-CB 4.41Å; F112-L116 HydrophobicContact CE1-CD2 4.48Å; F112-L116 WeakPolarHBondContact O-CB 3.37Å; F112-L116 PolarHBondContact O-N 3.16Å; L113-L116 HydrophobicContact CD2-CD2 4.35Å; L113-L116 PolarHBondContact O-N 3.41Å; I114-L116 VanDerWaalsContact C-N 3.35Å; I114-L116 PolarHBondContact O-N 3.1Å; L116-D118 PolarHBondContact O-N 2.86Å; L116-V120 HydrophobicContact CD1-CG2 4.02Å; L116-V120 WeakPolarHBondContact O-CB 3.49Å; L116-V120 WeakPolarHBondContact O-CG2 3.31Å; L116-V120 PolarHBondContact O-N 2.89Å; L116-F211 HydrophobicContact CD1-CD2 4.05Å; L116-F211 HydrophobicContact CD1-CE1 4.27Å; L116-F211 HydrophobicContact CD1-CE2 3.46Å; L116-F211 VanDerWaalsContact CD1-CE2 3.46Å; L116-F211 HydrophobicContact CD1-CZ 3.6Å; L116-T302 HydrophobicContact CD1-CG2 4.14Å; L116-I305 HydrophobicContact CD2-CG2 4.27Å; L116-L306 HydrophobicContact CB-CD2 4.43Å; L116-L306 HydrophobicContact CD2-CD2 3.92Å; L116-L306 HydrophobicContact CD2-CG 4.23Å; L116-L306 HydrophobicContact CG-CD1 4.44Å; L116-L306 HydrophobicContact CG-CD2 4.11Å; L116-L306 HydrophobicContact CG-CG 4.41Å
117H98.6Very high97.4Very high73 Ų7327.2 Ų27.234%0.33814%0.139SC..Hα-helixtrans-56.6-52.7179.3167.9-85.1000112.4L113 I114 V120 A121 L306L113-H117 VanDerWaalsContact O-CB 3.31Å; L113-H117 WeakPolarHBondContact O-CB 3.46Å; L113-H117 PolarHBondContact O-N 3.24Å; I114-H117 PolarHBondContact O-N 3.07Å; H117-V120 PolarHBondContact O-N 2.9Å; H117-A121 VanDerWaalsContact O-CB 3.29Å; H117-A121 WeakPolarHBondContact O-CB 3.45Å; H117-A121 PolarHBondContact O-N 2.82Å; H117-L306 HydrophobicContact CB-CD1 3.99Å; H117-L306 HydrophobicContact CB-CD2 3.85Å
118D98.8Very high97.2Very high9 Ų933.2 Ų33.25%0.04817%0.167CC..Hα-helixtrans-72.2-37.9-171.3-79.3-15000112.7N66 I114 V115 L116 G122 V152 Y153N66-D118 VanDerWaalsContact CB-O 3.27Å; N66-D118 WeakPolarHBondContact CB-O 3.28Å; N66-D118 WeakPolarHBondContact ND2-CA 3.34Å; N66-D118 WeakPolarHBondContact ND2-CB 3.46Å; N66-D118 PolarHBondContact ND2-OD1 3.17Å; I114-D118 WeakPolarHBondContact O-CB 3.36Å; I114-D118 PolarHBondContact O-N 3.35Å; V115-D118 PolarHBondContact O-N 3.19Å; L116-D118 PolarHBondContact O-N 2.86Å; D118-G122 PolarHBondContact O-N 3.33Å; D118-V152 WeakPolarHBondContact OD2-CA 3.36Å; D118-Y153 PolarHBondContact OD2-N 3.18Å
119V98.6Very high97Very high2 Ų236.1 Ų36.11%0.01217%0.173CC..Hα-helixtrans-67.4-44.9174.6173.20000110.2V115 A121 G122 M123 I141 F211V115-V119 HydrophobicContact CG1-CG2 4.13Å; V115-V119 VanDerWaalsContact O-CB 3.27Å; V115-V119 WeakPolarHBondContact O-CB 3.28Å; V115-V119 VanDerWaalsContact O-CG2 3.22Å; V115-V119 WeakPolarHBondContact O-CG2 3.41Å; V115-V119 PolarHBondContact O-N 2.97Å; V119-A121 PolarHBondContact O-N 3.18Å; V119-G122 PolarHBondContact O-N 3.45Å; V119-M123 HydrophobicContact CG1-CG 4.36Å; V119-M123 WeakPolarHBondContact O-CB 3.3Å; V119-M123 VanDerWaalsContact O-CG 3.24Å; V119-M123 WeakPolarHBondContact O-CG 3.47Å; V119-M123 PolarHBondContact O-N 2.87Å; V119-I141 HydrophobicContact CG2-CD1 3.9Å; V119-I141 HydrophobicContact CG2-CG1 4.44Å; V119-I141 HydrophobicContact CG2-CG2 4.11Å; V119-F211 HydrophobicContact CB-CE1 3.93Å; V119-F211 HydrophobicContact CB-CZ 4.06Å; V119-F211 HydrophobicContact CG1-CE1 3.94Å; V119-F211 HydrophobicContact CG1-CZ 3.9Å; V119-F211 HydrophobicContact CG2-CE1 4.35Å
120V98.4Very high96.6Very high4 Ų435.6 Ų35.62%0.02417%0.174CC..Hα-helixtrans-59.9-46.4177167.60000111L116 H117 M123 N124 F211 F298 F299 T302L116-V120 HydrophobicContact CD1-CG2 4.02Å; L116-V120 WeakPolarHBondContact O-CB 3.49Å; L116-V120 WeakPolarHBondContact O-CG2 3.31Å; L116-V120 PolarHBondContact O-N 2.89Å; H117-V120 PolarHBondContact O-N 2.9Å; V120-M123 PolarHBondContact O-N 3.25Å; V120-N124 PolarHBondContact O-N 2.84Å; V120-F211 HydrophobicContact CG2-CE2 4.49Å; V120-F211 HydrophobicContact CG2-CZ 4.23Å; V120-F298 HydrophobicContact CG2-CE1 4.16Å; V120-F298 HydrophobicContact CG2-CZ 3.87Å; V120-F299 HydrophobicContact CG1-CD1 3.94Å; V120-F299 HydrophobicContact CG1-CE1 4.35Å; V120-T302 HydrophobicContact CG2-CG2 4.13Å
121A98.5Very high96.4Very high23 Ų2330.4 Ų30.419%0.1915%0.147CC..Hα-helixtrans-65-40.9178.600000112.5N66 H117 V119 M123 H125N66-A121 WeakPolarHBondContact OD1-CB 3.49Å; H117-A121 VanDerWaalsContact O-CB 3.29Å; H117-A121 WeakPolarHBondContact O-CB 3.45Å; H117-A121 PolarHBondContact O-N 2.82Å; V119-A121 PolarHBondContact O-N 3.18Å; A121-M123 VanDerWaalsContact C-N 3.34Å; A121-H125 PolarHBondContact O-N 2.94Å; A121-H125 VanDerWaalsContact O-N 3.14Å
122G98.1Very high96Very high0 Ų029.3 Ų29.30%014%0.142CC..Hα-helixtrans-60.7-43.1172.900000112.3D118 V119 H125 L126D118-G122 PolarHBondContact O-N 3.33Å; V119-G122 PolarHBondContact O-N 3.45Å; G122-H125 WeakPolarHBondContact O-CB 3.4Å; G122-H125 PolarHBondContact O-N 3.11Å; G122-L126 WeakPolarHBondContact O-CG 3.32Å; G122-L126 PolarHBondContact O-N 3.5Å; G122-L126 VanDerWaalsContact O-N 3.1Å
123M96.4Very high95.7Very high3 Ų329.3 Ų29.32%0.01514%0.142CC..Hα-helixtrans-68.5-39.6178.8-73.6-56.7-56.200113.6V119 V120 A121 H125 L126 R127 I136 L155 D203 I207 F295 F299V119-M123 HydrophobicContact CG1-CG 4.36Å; V119-M123 WeakPolarHBondContact O-CB 3.3Å; V119-M123 VanDerWaalsContact O-CG 3.24Å; V119-M123 WeakPolarHBondContact O-CG 3.47Å; V119-M123 PolarHBondContact O-N 2.87Å; V120-M123 PolarHBondContact O-N 3.25Å; A121-M123 VanDerWaalsContact C-N 3.34Å; M123-H125 VanDerWaalsContact C-N 3.29Å; M123-H125 PolarHBondContact O-N 2.87Å; M123-L126 HydrophobicContact CE-CD1 4.46Å; M123-L126 PolarHBondContact O-N 3.3Å; M123-L126 VanDerWaalsContact O-N 3.16Å; M123-L126 HydrophobicContact SD-CD1 3.91Å; M123-R127 PolarHBondContact O-N 3.15Å; M123-I136 HydrophobicContact CE-CD1 3.62Å; M123-I136 HydrophobicContact CG-CD1 4.4Å; M123-I136 HydrophobicContact SD-CD1 3.24Å; M123-I136 WeakPolarHBondContact SD-CD1 3.43Å; M123-I136 HydrophobicContact SD-CG1 4.25Å; M123-L155 HydrophobicContact CG-CD1 4.16Å; M123-L155 HydrophobicContact SD-CD1 3.71Å; M123-D203 HydrophobicContact CE-CB 3.91Å; M123-I207 HydrophobicContact CE-CD1 3.95Å; M123-I207 HydrophobicContact CG-CD1 3.66Å; M123-I207 HydrophobicContact SD-CD1 4.09Å; M123-F295 HydrophobicContact CE-CE1 4.13Å; M123-F299 HydrophobicContact CB-CE1 4.18Å; M123-F299 HydrophobicContact CB-CZ 4.33Å
124N95.9Very high95.3Very high58 Ų5827.7 Ų27.731%0.3113%0.133SC..Hα-helixtrans-59.9-43.4173.9-173.861.3000110.8V120 L126 R127 E128 F299V120-N124 PolarHBondContact O-N 2.84Å; N124-L126 VanDerWaalsContact C-N 3.31Å; N124-L126 PolarHBondContact O-N 3.5Å; N124-R127 PolarHBondContact O-N 3.27Å; N124-R127 VanDerWaalsContact O-N 3.11Å; N124-E128 PolarHBondContact ND2-OE1 3.26Å; N124-E128 WeakPolarHBondContact O-CG 3.17Å; N124-E128 PolarHBondContact O-N 3.09Å; N124-F299 VanDerWaalsContact CA-CZ 3.44Å; N124-F299 HydrophobicContact CB-CD1 4.31Å; N124-F299 HydrophobicContact CB-CE1 3.84Å; N124-F299 HydrophobicContact CB-CE2 4.32Å; N124-F299 HydrophobicContact CB-CZ 3.86Å
125H97Very high94.9Very high14 Ų1426.9 Ų26.97%0.06513%0.129CC..Hα-helixtrans-61.7-35.9174.9-172.182.2000112.7H64 A121 G122 M123 Y129H64-H125 HydrophobicContact CB-CB 4.2Å; H64-H125 AromaticContact CD2-ND1 3.93Å; H64-H125 AromaticContact CG-CG 3.79Å; H64-H125 AromaticContact CG-ND1 3.87Å; A121-H125 PolarHBondContact O-N 2.94Å; A121-H125 VanDerWaalsContact O-N 3.14Å; G122-H125 WeakPolarHBondContact O-CB 3.4Å; G122-H125 PolarHBondContact O-N 3.11Å; M123-H125 VanDerWaalsContact C-N 3.29Å; M123-H125 PolarHBondContact O-N 2.87Å; H125-Y129 AromaticContact CE1-CE2 3.44Å; H125-Y129 VanDerWaalsContact CE1-CE2 3.44Å; H125-Y129 WeakPolarHBondContact CE1-CE2 3.45Å; H125-Y129 AromaticContact NE2-CD2 3.91Å; H125-Y129 AromaticContact NE2-CE2 3.61Å; H125-Y129 WeakPolarHBondContact O-CD2 3.45Å
126L94.9Very high94.7Very high0 Ų027 Ų270%013%0.13CC..Hα-helixtrans-65.9-42.6172.8-62.4-174.9000111.8L62 I67 G122 M123 N124 E128 Y129 G130 I131 H133 L155 F158L62-L126 HydrophobicContact CD1-CD2 3.54Å; L62-L126 HydrophobicContact CD2-CD2 3.69Å; L62-L126 HydrophobicContact CG-CD2 4.28Å; I67-L126 HydrophobicContact CD1-CD2 3.9Å; I67-L126 HydrophobicContact CD1-CG 4.27Å; G122-L126 WeakPolarHBondContact O-CG 3.32Å; G122-L126 PolarHBondContact O-N 3.5Å; G122-L126 VanDerWaalsContact O-N 3.1Å; M123-L126 HydrophobicContact CE-CD1 4.46Å; M123-L126 PolarHBondContact O-N 3.3Å; M123-L126 VanDerWaalsContact O-N 3.16Å; M123-L126 HydrophobicContact SD-CD1 3.91Å; N124-L126 VanDerWaalsContact C-N 3.31Å; N124-L126 PolarHBondContact O-N 3.5Å; L126-E128 PolarHBondContact O-N 3.39Å; L126-Y129 CarbonylContact O-C 3.23Å; L126-Y129 PolarHBondContact O-N 2.9Å; L126-G130 PolarHBondContact O-N 2.96Å; L126-I131 HydrophobicContact CB-CB 4.31Å; L126-I131 HydrophobicContact CD2-CG2 4.19Å; L126-I131 PolarHBondContact O-N 2.87Å; L126-H133 HydrophobicContact CD1-CB 4.01Å; L126-L155 HydrophobicContact CD1-CD1 3.94Å; L126-F158 HydrophobicContact CD1-CE1 4.05Å; L126-F158 HydrophobicContact CD2-CE1 3.69Å; L126-F158 HydrophobicContact CD2-CZ 4.31Å
127R91.7Very high94.5Very high93 Ų9328.7 Ų28.735%0.35114%0.137SC..Hα-helixtrans-64.1-39.7179.8178.857.2179.1142.8-0.5112.4M123 N124 Y129 G130 D166 F299M123-R127 PolarHBondContact O-N 3.15Å; N124-R127 PolarHBondContact O-N 3.27Å; N124-R127 VanDerWaalsContact O-N 3.11Å; R127-Y129 PolarHBondContact O-N 3.05Å; R127-Y129 VanDerWaalsContact O-N 3.13Å; R127-G130 PolarHBondContact O-N 3.39Å; R127-D166 IonicContact CZ-OD1 2.73Å; R127-D166 IonicContact NH1-OD1 3.33Å; R127-D166 PolarHBondContact NH1-OD1 3.44Å; R127-D166 IonicContact NH2-OD1 3.46Å; R127-D166 PolarHBondContact NH2-OD1 2.95Å; R127-F299 HydrophobicContact CB-CE2 4.28Å; R127-F299 HydrophobicContact CB-CZ 4.49Å; R127-F299 HydrophobicContact CG-CE2 4.39Å
128E92.3Very high94.5Very high127 Ų12725.2 Ų25.259%0.59312%0.121SC*.Hα-helixtrans-56.6-26.5175.7-74.7172.7-171.100113.1N124 L126N124-E128 PolarHBondContact ND2-OE1 3.26Å; N124-E128 WeakPolarHBondContact O-CG 3.17Å; N124-E128 PolarHBondContact O-N 3.09Å; L126-E128 PolarHBondContact O-N 3.39Å
129Y92.1Very high94.3Very high109 Ų10926.1 Ų26.143%0.42713%0.132SC..THydrogen-bonded Turntrans-103.78.9177.7-74.1-99000113.3K61 H125 L126 R127 I131K61-Y129 HydrophobicContact CB-CD1 3.98Å; K61-Y129 HydrophobicContact CB-CE1 4.3Å; K61-Y129 WeakPolarHBondContact O-CE1 3.36Å; H125-Y129 AromaticContact CE1-CE2 3.44Å; H125-Y129 VanDerWaalsContact CE1-CE2 3.44Å; H125-Y129 WeakPolarHBondContact CE1-CE2 3.45Å; H125-Y129 AromaticContact NE2-CD2 3.91Å; H125-Y129 AromaticContact NE2-CE2 3.61Å; H125-Y129 WeakPolarHBondContact O-CD2 3.45Å; L126-Y129 CarbonylContact O-C 3.23Å; L126-Y129 PolarHBondContact O-N 2.9Å; R127-Y129 PolarHBondContact O-N 3.05Å; R127-Y129 VanDerWaalsContact O-N 3.13Å; Y129-I131 VanDerWaalsContact C-N 3.26Å; Y129-I131 PolarHBondContact O-N 3.27Å
130G89.9Confident94.2Very high16 Ų1626.6 Ų26.617%0.16514%0.135CC..THydrogen-bonded Turntrans66.923.2-178.800000114L126 R127 E163 L164L126-G130 PolarHBondContact O-N 2.96Å; R127-G130 PolarHBondContact O-N 3.39Å; G130-E163 CarbonylContact O-C 3.47Å; G130-E163 WeakPolarHBondContact O-CA 3.41Å; G130-L164 PolarHBondContact O-N 3.48Å
131I91.4Very high94.2Very high5 Ų526.5 Ų26.53%0.02613%0.134CC..EExtended strand (participates in β ladder)trans-97.3131.3-175.5-67.1158.2000110.7V58 L62 L126 Y129 A161 E163V58-I131 HydrophobicContact CG1-CD1 4Å; V58-I131 HydrophobicContact CG1-CG1 4.46Å; V58-I131 HydrophobicContact CG1-CG2 4Å; L62-I131 HydrophobicContact CD1-CD1 4.34Å; L62-I131 HydrophobicContact CD2-CD1 3.63Å; L62-I131 HydrophobicContact CG-CD1 4.05Å; L126-I131 HydrophobicContact CB-CB 4.31Å; L126-I131 HydrophobicContact CD2-CG2 4.19Å; L126-I131 PolarHBondContact O-N 2.87Å; Y129-I131 VanDerWaalsContact C-N 3.26Å; Y129-I131 PolarHBondContact O-N 3.27Å; I131-A161 HydrophobicContact CG2-CB 4.21Å; I131-E163 HydrophobicContact CG1-CG 3.87Å
132V90.3Very high94.2Very high7 Ų727.3 Ų27.34%0.04213%0.134CC..EExtended strand (participates in β ladder)trans-110.2131.2169.9-174.30000109.3R134 A161 R162 L164 A200 V202 D203V132-R134 HydrophobicContact CB-CG 4.41Å; V132-R134 HydrophobicContact CG1-CG 3.68Å; V132-A161 CarbonylContact O-C 3.59Å; V132-A161 WeakPolarHBondContact O-CA 3.39Å; V132-R162 PolarHBondContact N-O 2.94Å; V132-R162 PolarHBondContact O-N 3.02Å; V132-L164 HydrophobicContact CB-CD1 4.2Å; V132-L164 HydrophobicContact CG2-CD1 3.37Å; V132-L164 HydrophobicContact CG2-CG 3.91Å; V132-A200 HydrophobicContact CG2-CB 3.65Å; V132-V202 HydrophobicContact CG1-CG2 4.37Å; V132-D203 VanDerWaalsContact CG1-OD2 3.27Å; V132-D203 WeakPolarHBondContact CG1-OD2 3.32Å
133H92.3Very high94.2Very high1 Ų129.8 Ų29.81%0.00514%0.144CC..  trans-83.7-45.4-171.3-171.1-48.9000113.3L126 D135 I136 T156 D157 F158 A160 D203L126-H133 HydrophobicContact CD1-CB 4.01Å; H133-D135 VanDerWaalsContact C-N 3.28Å; H133-D135 PolarHBondContact ND1-N 3.33Å; H133-D135 PolarHBondContact O-N 2.71Å; H133-I136 HydrophobicContact CB-CD1 4.2Å; H133-I136 HydrophobicContact CB-CG1 3.89Å; H133-T156 PolarHBondContact CE1-O 3.39Å; H133-T156 PolarHBondContact NE2-O 2.97Å; H133-D157 PolarHBondContact CE1-O 3.1Å; H133-D157 VanDerWaalsContact CE1-O 3.22Å; H133-F158 AromaticContact CD2-CE1 3.71Å; H133-A160 CarbonylContact O-C 3.52Å; H133-D203 PolarHBondContact N-OD2 3.03Å
134R89.8Confident94.3Very high5 Ų530.5 Ų30.52%0.01915%0.148CC..SBendtrans677.1176-50.1-174.7-64.4174.43.8117.8V132 A160 F170 S172 V202 D203V132-R134 HydrophobicContact CB-CG 4.41Å; V132-R134 HydrophobicContact CG1-CG 3.68Å; R134-A160 HydrophobicContact CB-CB 4.45Å; R134-A160 PolarHBondContact NE-O 3Å; R134-A160 PolarHBondContact NH2-O 3.29Å; R134-F170 VanDerWaalsContact CD-CE2 3.49Å; R134-F170 VanDerWaalsContact CD-CZ 3.46Å; R134-F170 HydrophobicContact CG-CZ 4.19Å; R134-S172 PolarHBondContact NH1-OG 3.3Å; R134-V202 HydrophobicContact CG-CG2 4.46Å; R134-D203 WeakPolarHBondContact CA-OD1 3.33Å; R134-D203 PolarHBondContact N-OD1 3.11Å
135D90.2Very high94.4Very high16 Ų1631.6 Ų31.69%0.08615%0.153CC..  trans-149.542.3174.8-166.736.6000110.9H133 K137 N140 A160 G175 T176H133-D135 VanDerWaalsContact C-N 3.28Å; H133-D135 PolarHBondContact ND1-N 3.33Å; H133-D135 PolarHBondContact O-N 2.71Å; D135-K137 PolarHBondContact O-N 3.42Å; D135-K137 IonicContact OD1-NZ 3.41Å; D135-K137 PolarHBondContact OD1-NZ 3.08Å; D135-K137 IonicContact OD2-NZ 3.89Å; D135-K137 PolarHBondContact OD2-NZ 3.35Å; D135-N140 PolarHBondContact O-ND2 2.9Å; D135-N140 PolarHBondContact OD2-ND2 2.96Å; D135-A160 HydrophobicContact CB-CB 4.23Å; D135-G175 VanDerWaalsContact OD1-CA 3.28Å; D135-G175 WeakPolarHBondContact OD1-CA 3.3Å; D135-T176 PolarHBondContact OD1-N 3.2Å; D135-T176 VanDerWaalsContact OD1-N 3.13Å; D135-T176 PolarHBondContact OD1-OG1 2.87Å
136I95.1Very high94.2Very high1 Ų131.8 Ų31.81%0.00516%0.159CC..  trans-71.1123.2174.7-59.2166000108.3M123 H133 I141 D203 S206 I207M123-I136 HydrophobicContact CE-CD1 3.62Å; M123-I136 HydrophobicContact CG-CD1 4.4Å; M123-I136 HydrophobicContact SD-CD1 3.24Å; M123-I136 WeakPolarHBondContact SD-CD1 3.43Å; M123-I136 HydrophobicContact SD-CG1 4.25Å; H133-I136 HydrophobicContact CB-CD1 4.2Å; H133-I136 HydrophobicContact CB-CG1 3.89Å; I136-I141 HydrophobicContact CG2-CD1 4.42Å; I136-D203 HydrophobicContact CD1-CB 3.75Å; I136-S206 WeakPolarHBondContact O-CB 3.23Å; I136-I207 HydrophobicContact CD1-CD1 3.84Å; I136-I207 HydrophobicContact CD1-CG1 3.74Å; I136-I207 HydrophobicContact CG2-CG1 3.96Å
137K95.3Very high94.1Very high36 Ų3642 Ų4216%0.15721%0.207CC..SBendtrans-161.9163.2178.568-162.2-177.4-153.10108.7D135 G139 N140 I141 T176 Y179D135-K137 PolarHBondContact O-N 3.42Å; D135-K137 IonicContact OD1-NZ 3.41Å; D135-K137 PolarHBondContact OD1-NZ 3.08Å; D135-K137 IonicContact OD2-NZ 3.89Å; D135-K137 PolarHBondContact OD2-NZ 3.35Å; K137-G139 PolarHBondContact O-N 3.46Å; K137-N140 WeakPolarHBondContact CE-ND2 3.4Å; K137-N140 WeakPolarHBondContact CE-OD1 3.5Å; K137-N140 HydrophobicContact CG-CB 4.23Å; K137-N140 PolarHBondContact O-N 3.27Å; K137-I141 WeakPolarHBondContact O-CG1 3.12Å; K137-I141 PolarHBondContact O-N 3.44Å; K137-T176 HydrophobicContact CD-CG2 4.13Å; K137-T176 WeakPolarHBondContact CD-OG1 2.84Å; K137-T176 WeakPolarHBondContact CE-OG1 3.49Å; K137-T176 PolarHBondContact NZ-OG1 2.91Å; K137-Y179 HydrophobicContact CB-CD1 4.1Å; K137-Y179 HydrophobicContact CB-CD2 3.97Å; K137-Y179 HydrophobicContact CB-CE1 4.33Å; K137-Y179 HydrophobicContact CB-CE2 4.2Å; K137-Y179 HydrophobicContact CB-CG 3.93Å
138P97.4Very high94.2Very high1 Ų142.1 Ų42.11%0.00622%0.215CC..G310 helixtrans-52.1-31.3177.2-29.135.6000114.6S93 L94 Y95 L98 N140 I141 Y179 T210S93-P138 WeakPolarHBondContact CB-O 3.34Å; L94-P138 HydrophobicContact CB-CB 4.19Å; L94-P138 HydrophobicContact CD2-CB 4.31Å; L94-P138 HydrophobicContact CG-CB 4.09Å; L94-P138 PolarHBondContact N-O 3.02Å; Y95-P138 PolarHBondContact N-O 3.45Å; L98-P138 HydrophobicContact CD1-CB 4.04Å; L98-P138 HydrophobicContact CD1-CG 3.96Å; P138-N140 VanDerWaalsContact C-N 3.3Å; P138-N140 PolarHBondContact O-N 3.26Å; P138-I141 PolarHBondContact O-N 2.95Å; P138-Y179 VanDerWaalsContact CD-CZ 3.45Å; P138-Y179 WeakPolarHBondContact CD-OH 3.36Å; P138-Y179 HydrophobicContact CG-CE1 4.07Å; P138-T210 HydrophobicContact CG-CG2 4.16Å
139G95Very high94.3Very high27 Ų2738.6 Ų38.628%0.27821%0.213SC..G310 helixtrans-67.7-25.2177.900000114.8K137K137-G139 PolarHBondContact O-N 3.46Å
140N96.8Very high94.5Very high13 Ų1340.9 Ų40.97%0.0722%0.22CC..G310 helixtrans-105.613.9-177.8-69-4.6000112.4D135 K137 P138 T156D135-N140 PolarHBondContact O-ND2 2.9Å; D135-N140 PolarHBondContact OD2-ND2 2.96Å; K137-N140 WeakPolarHBondContact CE-ND2 3.4Å; K137-N140 WeakPolarHBondContact CE-OD1 3.5Å; K137-N140 HydrophobicContact CG-CB 4.23Å; K137-N140 PolarHBondContact O-N 3.27Å; P138-N140 VanDerWaalsContact C-N 3.3Å; P138-N140 PolarHBondContact O-N 3.26Å; N140-T156 PolarHBondContact O-N 2.65Å
141I98.6Very high94.9Very high1 Ų140.4 Ų40.41%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-114.498.6174.4-59.8165.9000106.5S93 L94 V119 I136 K137 P138 Y153 K154 L155 T210S93-I141 CarbonylContact C-O 3.59Å; S93-I141 WeakPolarHBondContact CA-O 3.3Å; S93-I141 WeakPolarHBondContact CB-O 3.46Å; L94-I141 HydrophobicContact CB-CB 4.03Å; L94-I141 HydrophobicContact CB-CG2 4.18Å; L94-I141 HydrophobicContact CD2-CB 4.49Å; L94-I141 HydrophobicContact CD2-CD1 3.98Å; L94-I141 HydrophobicContact CD2-CG2 4.45Å; L94-I141 PolarHBondContact N-O 3.49Å; V119-I141 HydrophobicContact CG2-CD1 3.9Å; V119-I141 HydrophobicContact CG2-CG1 4.44Å; V119-I141 HydrophobicContact CG2-CG2 4.11Å; I136-I141 HydrophobicContact CG2-CD1 4.42Å; K137-I141 WeakPolarHBondContact O-CG1 3.12Å; K137-I141 PolarHBondContact O-N 3.44Å; P138-I141 PolarHBondContact O-N 2.95Å; I141-Y153 HydrophobicContact CG2-CD1 3.81Å; I141-Y153 HydrophobicContact CG2-CG 4.19Å; I141-K154 CarbonylContact C-O 3.58Å; I141-K154 WeakPolarHBondContact CA-O 3.36Å; I141-L155 HydrophobicContact CG1-CD2 3.9Å; I141-T210 HydrophobicContact CD1-CG2 3.66Å
142M98.4Very high95.2Very high40 Ų4041.9 Ų41.920%0.19722%0.224CC..EExtended strand (participates in β ladder)trans-76.3151.4-178.6-57.1-52.5-65.900111.2V68 C89 G92 Y153 K154 T156V68-M142 HydrophobicContact CG2-CB 4.08Å; V68-M142 HydrophobicContact CG2-CG 3.79Å; C89-M142 HydrophobicContact CB-CB 3.84Å; C89-M142 HydrophobicContact CB-CE 3.85Å; C89-M142 HydrophobicContact CB-CG 4.44Å; G92-M142 WeakPolarHBondContact O-CE 3.49Å; M142-Y153 CarbonylContact O-C 3.57Å; M142-Y153 VanDerWaalsContact O-CA 3.23Å; M142-Y153 WeakPolarHBondContact O-CA 3.3Å; M142-K154 HydrophobicContact CB-CB 4.47Å; M142-K154 PolarHBondContact N-O 3.16Å; M142-K154 PolarHBondContact O-N 2.8Å; M142-T156 HydrophobicContact CG-CG2 3.53Å; M142-T156 HydrophobicContact SD-CG2 3.81Å
143R98.4Very high95.6Very high52 Ų5241.7 Ų41.720%0.19622%0.222CC..EExtended strand (participates in β ladder)trans-115.1135.8175.3-176.2174.2176.4-95.4-5.5110.5C91 G92 E111 S151 Y153C91-R143 HydrophobicContact CB-CB 4.17Å; C91-R143 HydrophobicContact CB-CG 4.08Å; C91-R143 WeakPolarHBondContact CB-O 3.3Å; G92-R143 PolarHBondContact O-N 3.23Å; E111-R143 IonicContact OE1-NE 2.85Å; R143-S151 VanDerWaalsContact CZ-OG 3.27Å; R143-S151 PolarHBondContact NE-OG 3.14Å; R143-S151 PolarHBondContact NH2-OG 3.35Å; R143-Y153 HydrophobicContact CB-CD1 4.05Å; R143-Y153 HydrophobicContact CB-CE1 3.87Å; R143-Y153 HydrophobicContact CG-CD1 4.4Å; R143-Y153 HydrophobicContact CG-CE1 4Å
144V97.9Very high95.9Very high18 Ų1842.7 Ų42.711%0.10923%0.227CC..EExtended strand (participates in β ladder)trans-128.3163.3165.1-57.70000109.5C89 S151 V152C89-V144 HydrophobicContact CB-CG1 3.69Å; V144-S151 CarbonylContact O-C 3.59Å; V144-S151 WeakPolarHBondContact O-CA 3.49Å; V144-V152 HydrophobicContact CG2-CB 3.79Å; V144-V152 HydrophobicContact CG2-CG1 4.38Å; V144-V152 PolarHBondContact N-O 2.94Å; V144-V152 PolarHBondContact O-N 3.34Å
145I97.5Very high96.4Very high81 Ų8142.5 Ų42.542%0.41523%0.226SC..EExtended strand (participates in β ladder)trans-97.3122.4170.8-54.8-56.4000107.6
146G93.6Very high96.6Very high19 Ų1942.6 Ų42.620%0.19623%0.227CC..  trans-69169.8173.500000112.2D148 G149 R150G146-D148 PolarHBondContact O-N 3.02Å; G146-G149 PolarHBondContact O-N 3.36Å; G146-R150 PolarHBondContact N-O 3.36Å
147E92.8Very high96.4Very high214 Ų21444.9 Ų44.9100%124%0.239SC*.THydrogen-bonded Turntrans-62.4-24.9-179.3-63179.4173.900112.9G149E147-G149 VanDerWaalsContact C-N 3.29Å
148D93.6Very high96.2Very high96 Ų9643.2 Ų43.251%0.51323%0.232SC..THydrogen-bonded Turntrans-86.24.6176.365.2-2.4000113.6G146 R150G146-D148 PolarHBondContact O-N 3.02Å; D148-R150 VanDerWaalsContact C-N 3.28Å; D148-R150 PolarHBondContact O-N 3.42Å; D148-R150 WeakPolarHBondContact OD1-CB 3.44Å; D148-R150 PolarHBondContact OD1-N 2.81Å; D148-R150 IonicContact OD1-NE 2.79Å; D148-R150 IonicContact OD2-CZ 3.1Å; D148-R150 IonicContact OD2-NE 2.64Å; D148-R150 PolarHBondContact OD2-NE 3.35Å; D148-R150 IonicContact OD2-NH2 3.17Å; D148-R150 PolarHBondContact OD2-NH2 3.27Å
149G94.8Very high95.6Very high53 Ų5344 Ų4455%0.54624%0.241SC..SBendtrans81.3-2.4-178.900000114.9G146 E147G146-G149 PolarHBondContact O-N 3.36Å; E147-G149 VanDerWaalsContact C-N 3.29Å
150R95.8Very high95.1Very high156 Ų15643.1 Ų43.159%0.58923%0.231SC*.  trans-84.3156.9177.7-66-172.2-67.5165.3-1.4111.9G146 D148G146-R150 PolarHBondContact N-O 3.36Å; D148-R150 VanDerWaalsContact C-N 3.28Å; D148-R150 PolarHBondContact O-N 3.42Å; D148-R150 WeakPolarHBondContact OD1-CB 3.44Å; D148-R150 PolarHBondContact OD1-N 2.81Å; D148-R150 IonicContact OD1-NE 2.79Å; D148-R150 IonicContact OD2-CZ 3.1Å; D148-R150 IonicContact OD2-NE 2.64Å; D148-R150 PolarHBondContact OD2-NE 3.35Å; D148-R150 IonicContact OD2-NH2 3.17Å; D148-R150 PolarHBondContact OD2-NH2 3.27Å
151S98.1Very high94.6Very high7 Ų742.6 Ų42.65%0.04923%0.228CC..EExtended strand (participates in β ladder)trans-63.3143.8171.8-59.50000111E111 I114 R143 V144E111-S151 VanDerWaalsContact CD-OG 3.27Å; E111-S151 WeakPolarHBondContact OE1-CB 3.45Å; E111-S151 PolarHBondContact OE1-OG 3.42Å; E111-S151 PolarHBondContact OE2-OG 3.04Å; I114-S151 VanDerWaalsContact CG2-O 3.29Å; I114-S151 WeakPolarHBondContact CG2-O 3.43Å; R143-S151 VanDerWaalsContact CZ-OG 3.27Å; R143-S151 PolarHBondContact NE-OG 3.14Å; R143-S151 PolarHBondContact NH2-OG 3.35Å; V144-S151 CarbonylContact O-C 3.59Å; V144-S151 WeakPolarHBondContact O-CA 3.49Å
152V98.5Very high93.8Very high36 Ų3646 Ų4622%0.21824%0.241CC..EExtended strand (participates in β ladder)trans-128.3124.9163.8179.40000107.9D118 V144D118-V152 WeakPolarHBondContact OD2-CA 3.36Å; V144-V152 HydrophobicContact CG2-CB 3.79Å; V144-V152 HydrophobicContact CG2-CG1 4.38Å; V144-V152 PolarHBondContact N-O 2.94Å; V144-V152 PolarHBondContact O-N 3.34Å
153Y98.7Very high93.1Very high2 Ų247.5 Ų47.51%0.00825%0.248CC..EExtended strand (participates in β ladder)trans-99.9142179.9-66.8-84.7000112.5N66 L94 E111 I114 V115 D118 I141 M142 R143N66-Y153 WeakPolarHBondContact CA-O 3.29Å; N66-Y153 PolarHBondContact ND2-O 2.92Å; L94-Y153 HydrophobicContact CB-CD1 4.45Å; L94-Y153 HydrophobicContact CB-CE1 4.12Å; L94-Y153 HydrophobicContact CD1-CE1 3.89Å; E111-Y153 PolarHBondContact OE1-OH 3.41Å; I114-Y153 HydrophobicContact CG2-CD2 3.94Å; I114-Y153 HydrophobicContact CG2-CE2 4.06Å; V115-Y153 HydrophobicContact CB-CD2 4.45Å; V115-Y153 HydrophobicContact CB-CE2 4.34Å; V115-Y153 HydrophobicContact CG2-CD2 3.77Å; V115-Y153 HydrophobicContact CG2-CE1 4.09Å; V115-Y153 HydrophobicContact CG2-CE2 3.28Å; V115-Y153 HydrophobicContact CG2-CG 4.34Å; V115-Y153 VanDerWaalsContact CG2-CZ 3.42Å; D118-Y153 PolarHBondContact OD2-N 3.18Å; I141-Y153 HydrophobicContact CG2-CD1 3.81Å; I141-Y153 HydrophobicContact CG2-CG 4.19Å; M142-Y153 CarbonylContact O-C 3.57Å; M142-Y153 VanDerWaalsContact O-CA 3.23Å; M142-Y153 WeakPolarHBondContact O-CA 3.3Å; R143-Y153 HydrophobicContact CB-CD1 4.05Å; R143-Y153 HydrophobicContact CB-CE1 3.87Å; R143-Y153 HydrophobicContact CG-CD1 4.4Å; R143-Y153 HydrophobicContact CG-CE1 4Å
154K98.7Very high91.8Very high22 Ų2246 Ų4610%0.09624%0.243CC..EExtended strand (participates in β ladder)trans-137.1132-172.9-60.3179.1174.3-116.90112K65 N66 V68 E87 I141 M142K65-K154 WeakPolarHBondContact O-CE 3.28Å; K65-K154 WeakPolarHBondContact O-CG 3.34Å; K65-K154 PolarHBondContact O-NZ 2.85Å; N66-K154 CarbonylContact O-C 3.42Å; N66-K154 VanDerWaalsContact O-CA 3.31Å; N66-K154 WeakPolarHBondContact O-CA 3.36Å; V68-K154 HydrophobicContact CG2-CB 3.75Å; V68-K154 HydrophobicContact CG2-CD 4.42Å; E87-K154 VanDerWaalsContact CD-NZ 3.32Å; E87-K154 VanDerWaalsContact OE1-CE 3.22Å; E87-K154 WeakPolarHBondContact OE1-CE 3.34Å; E87-K154 IonicContact OE1-NZ 3.92Å; E87-K154 PolarHBondContact OE1-NZ 3.37Å; E87-K154 IonicContact OE2-NZ 3.88Å; E87-K154 PolarHBondContact OE2-NZ 3.49Å; I141-K154 CarbonylContact C-O 3.58Å; I141-K154 WeakPolarHBondContact CA-O 3.36Å; M142-K154 HydrophobicContact CB-CB 4.47Å; M142-K154 PolarHBondContact N-O 3.16Å; M142-K154 PolarHBondContact O-N 2.8Å
155L98.5Very high90Very high2 Ų252.7 Ų52.71%0.0127%0.273CS..EExtended strand (participates in β ladder)trans-73.6142.7173.3-55.9178.7000111N66 I67 V68 M123 L126 I141 F158N66-L155 PolarHBondContact O-N 3.26Å; I67-L155 HydrophobicContact CD1-CB 3.97Å; I67-L155 HydrophobicContact CD1-CD1 4.14Å; I67-L155 HydrophobicContact CD1-CG 4.37Å; V68-L155 PolarHBondContact N-O 3.49Å; M123-L155 HydrophobicContact CG-CD1 4.16Å; M123-L155 HydrophobicContact SD-CD1 3.71Å; L126-L155 HydrophobicContact CD1-CD1 3.94Å; I141-L155 HydrophobicContact CG1-CD2 3.9Å; L155-F158 HydrophobicContact CB-CZ 4.25Å
156T95.6Very high87.7Confident17 Ų1754.4 Ų54.410%0.10428%0.283CS..  trans-146.9176.4178.1-162.10000111.8H133 N140 M142H133-T156 PolarHBondContact CE1-O 3.39Å; H133-T156 PolarHBondContact NE2-O 2.97Å; N140-T156 PolarHBondContact O-N 2.65Å; M142-T156 HydrophobicContact CG-CG2 3.53Å; M142-T156 HydrophobicContact SD-CG2 3.81Å
157D91Very high85.9Confident49 Ų4961.4 Ų61.426%0.26232%0.316SS..  trans6367.6179-161.613.8000113.9K38 H133 G159K38-D157 IonicContact NZ-OD1 2.74Å; K38-D157 PolarHBondContact NZ-OD1 3.13Å; H133-D157 PolarHBondContact CE1-O 3.1Å; H133-D157 VanDerWaalsContact CE1-O 3.22Å; D157-G159 PolarHBondContact O-N 3.44Å; D157-G159 VanDerWaalsContact O-N 3.17Å
158F90.5Very high83.9Confident2 Ų254.4 Ų54.41%0.00928%0.283CS..G310 helixtrans-81.717.8177.9-61.7-87.8000112.8E55 V58 L59 L62 I67 L126 H133 L155 A160 A161E55-F158 HydrophobicContact CG-CB 4.11Å; E55-F158 PolarHBondContact OE1-N 2.79Å; V58-F158 HydrophobicContact CG1-CB 4.09Å; V58-F158 HydrophobicContact CG1-CD1 3.99Å; V58-F158 HydrophobicContact CG1-CG 4.19Å; L59-F158 HydrophobicContact CD1-CD2 4.49Å; L59-F158 HydrophobicContact CD2-CD2 3.32Å; L59-F158 HydrophobicContact CD2-CE2 3.63Å; L59-F158 HydrophobicContact CD2-CG 4.15Å; L59-F158 HydrophobicContact CG-CB 4.39Å; L59-F158 HydrophobicContact CG-CD2 3.92Å; L59-F158 HydrophobicContact CG-CG 4.38Å; L62-F158 HydrophobicContact CD1-CD1 4.12Å; L62-F158 HydrophobicContact CD1-CE1 3.73Å; L62-F158 HydrophobicContact CD1-CE2 4.4Å; L62-F158 HydrophobicContact CD1-CZ 3.88Å; I67-F158 HydrophobicContact CD1-CZ 4.14Å; I67-F158 HydrophobicContact CG2-CE2 3.94Å; I67-F158 HydrophobicContact CG2-CZ 3.8Å; L126-F158 HydrophobicContact CD1-CE1 4.05Å; L126-F158 HydrophobicContact CD2-CE1 3.69Å; L126-F158 HydrophobicContact CD2-CZ 4.31Å; H133-F158 AromaticContact CD2-CE1 3.71Å; L155-F158 HydrophobicContact CB-CZ 4.25Å; F158-A160 PolarHBondContact O-N 2.97Å; F158-A161 HydrophobicContact CB-CB 3.77Å; F158-A161 HydrophobicContact CD1-CB 3.88Å; F158-A161 HydrophobicContact CG-CB 4.34Å; F158-A161 WeakPolarHBondContact O-CB 3.33Å; F158-A161 PolarHBondContact O-N 3.25Å
159G84.9Confident82.4Confident18 Ų1854.3 Ų54.319%0.18628%0.28CS..G310 helixtrans-63.3-23.2178.900000113.4E55 D157E55-G159 PolarHBondContact OE1-N 3.42Å; E55-G159 WeakPolarHBondContact OE2-CA 3.34Å; D157-G159 PolarHBondContact O-N 3.44Å; D157-G159 VanDerWaalsContact O-N 3.17Å
160A83.6Confident80.8Confident8 Ų852 Ų527%0.06626%0.255CS..G310 helixtrans-99.2-0.7171.100000112.7H133 R134 D135 F158 Y174H133-A160 CarbonylContact O-C 3.52Å; R134-A160 HydrophobicContact CB-CB 4.45Å; R134-A160 PolarHBondContact NE-O 3Å; R134-A160 PolarHBondContact NH2-O 3.29Å; D135-A160 HydrophobicContact CB-CB 4.23Å; F158-A160 PolarHBondContact O-N 2.97Å; A160-Y174 HydrophobicContact CB-CD1 4.2Å; A160-Y174 HydrophobicContact CB-CD2 4.42Å; A160-Y174 HydrophobicContact CB-CG 3.83Å
161A86.9Confident78.8Confident2 Ų249.6 Ų49.62%0.01725%0.25CS..  trans-74.4156.8-175.100000112.6V58 I131 V132 F158V58-A161 HydrophobicContact CG1-CB 4.1Å; V58-A161 HydrophobicContact CG2-CB 4.39Å; I131-A161 HydrophobicContact CG2-CB 4.21Å; V132-A161 CarbonylContact O-C 3.59Å; V132-A161 WeakPolarHBondContact O-CA 3.39Å; F158-A161 HydrophobicContact CB-CB 3.77Å; F158-A161 HydrophobicContact CD1-CB 3.88Å; F158-A161 HydrophobicContact CG-CB 4.34Å; F158-A161 WeakPolarHBondContact O-CB 3.33Å; F158-A161 PolarHBondContact O-N 3.25Å
162R82.9Confident76.9Confident71 Ų7150.9 Ų50.927%0.26826%0.26SS..EExtended strand (participates in β ladder)trans-151.6145.8174.4-161.3-174.2168-176.5-9.4110.8V132 E168V132-R162 PolarHBondContact N-O 2.94Å; V132-R162 PolarHBondContact O-N 3.02Å; R162-E168 IonicContact CZ-OE1 2.81Å; R162-E168 IonicContact NH1-OE1 3.41Å; R162-E168 IonicContact NH2-OE1 2.69Å; R162-E168 PolarHBondContact NH2-OE1 3.06Å
163E82.9Confident75Confident73 Ų7353.4 Ų53.434%0.34127%0.271SS..EExtended strand (participates in β ladder)trans-74.9133.6164.3-69.4171-144.100109.6K61 G130 I131K61-E163 WeakPolarHBondContact CE-OE1 3.48Å; K61-E163 IonicContact NZ-OE1 3.92Å; K61-E163 PolarHBondContact NZ-OE1 3.48Å; K61-E163 IonicContact NZ-OE2 2.75Å; K61-E163 PolarHBondContact NZ-OE2 3.16Å; G130-E163 CarbonylContact O-C 3.47Å; G130-E163 WeakPolarHBondContact O-CA 3.41Å; I131-E163 HydrophobicContact CG1-CG 3.87Å
164L71.4Confident73.4Confident21 Ų2156.4 Ų56.411%0.1128%0.283CS..  trans-117.1132.9170.1-62.4-179.2000108.1G130 V132 E168 F170 A200G130-L164 PolarHBondContact O-N 3.48Å; V132-L164 HydrophobicContact CB-CD1 4.2Å; V132-L164 HydrophobicContact CG2-CD1 3.37Å; V132-L164 HydrophobicContact CG2-CG 3.91Å; L164-E168 HydrophobicContact CB-CB 4.39Å; L164-E168 HydrophobicContact CD2-CB 4.26Å; L164-E168 HydrophobicContact CD2-CG 4.48Å; L164-F170 HydrophobicContact CD1-CD1 4.09Å; L164-F170 HydrophobicContact CD1-CE1 4.11Å; L164-F170 HydrophobicContact CD2-CD1 3.93Å; L164-A200 HydrophobicContact CD1-CB 4.33Å
165E60.6Low71.8Confident158 Ų15857 Ų5774%0.73830%0.295SS*.  trans-69.4152.7158.2-64.4-178.9-179.400108.7D167 E168E165-D167 PolarHBondContact O-N 3.07Å; E165-E168 HydrophobicContact CB-CB 4.47Å; E165-E168 PolarHBondContact N-OE2 2.92Å; E165-E168 WeakPolarHBondContact O-CB 3.41Å; E165-E168 PolarHBondContact O-N 3.33Å
166D48.9Very low71Confident117 Ų11758.2 Ų58.263%0.62630%0.303SS*.THydrogen-bonded Turntrans-55.6129.2179.6-72.4-40000109.3R127R127-D166 IonicContact CZ-OD1 2.73Å; R127-D166 IonicContact NH1-OD1 3.33Å; R127-D166 PolarHBondContact NH1-OD1 3.44Å; R127-D166 IonicContact NH2-OD1 3.46Å; R127-D166 PolarHBondContact NH2-OD1 2.95Å
167D55.3Low70.6Confident165 Ų16559.8 Ų59.888%0.88231%0.309SS*.THydrogen-bonded Turntrans73.63.9-172.5-50.8-37.7000117.9E165 Q169E165-D167 PolarHBondContact O-N 3.07Å; D167-Q169 PolarHBondContact O-N 3.13Å
168E51.1Low70.6Confident67 Ų6758.7 Ų58.731%0.31330%0.302SS..  trans-72.4126.3175.5-162.1-168.4164.900111.6R162 L164 E165R162-E168 IonicContact CZ-OE1 2.81Å; R162-E168 IonicContact NH1-OE1 3.41Å; R162-E168 IonicContact NH2-OE1 2.69Å; R162-E168 PolarHBondContact NH2-OE1 3.06Å; L164-E168 HydrophobicContact CB-CB 4.39Å; L164-E168 HydrophobicContact CD2-CB 4.26Å; L164-E168 HydrophobicContact CD2-CG 4.48Å; E165-E168 HydrophobicContact CB-CB 4.47Å; E165-E168 PolarHBondContact N-OE2 2.92Å; E165-E168 WeakPolarHBondContact O-CB 3.41Å; E165-E168 PolarHBondContact O-N 3.33Å
169Q60.9Low70.7Confident95 Ų9559.4 Ų59.444%0.44431%0.305SS..  trans-110.3148176.9-46.7172-42.100111.1D167 K197 Y198D167-Q169 PolarHBondContact O-N 3.13Å; Q169-K197 HydrophobicContact CB-CB 3.3Å; Q169-K197 HydrophobicContact CB-CD 3.97Å; Q169-K197 HydrophobicContact CB-CG 4.23Å; Q169-K197 HydrophobicContact CG-CB 4.1Å; Q169-K197 VanDerWaalsContact OE1-CB 3.25Å; Q169-Y198 WeakPolarHBondContact CA-O 3.41Å
170F61.3Low71Confident4 Ų458.9 Ų58.92%0.01830%0.298CS..BIsolated β-bridgetrans-124.2168.1-171.860.2-91.5000114.2R134 L164 Y198 V202R134-F170 VanDerWaalsContact CD-CE2 3.49Å; R134-F170 VanDerWaalsContact CD-CZ 3.46Å; R134-F170 HydrophobicContact CG-CZ 4.19Å; L164-F170 HydrophobicContact CD1-CD1 4.09Å; L164-F170 HydrophobicContact CD1-CE1 4.11Å; L164-F170 HydrophobicContact CD2-CD1 3.93Å; F170-Y198 WeakPolarHBondContact CD1-O 3.39Å; F170-Y198 VanDerWaalsContact CE1-O 3.24Å; F170-Y198 WeakPolarHBondContact CE1-O 3.46Å; F170-Y198 HydrophobicContact CE2-CD2 4.25Å; F170-Y198 PolarHBondContact N-O 2.68Å; F170-Y198 VanDerWaalsContact N-O 3.13Å; F170-Y198 PolarHBondContact O-N 3.31Å; F170-V202 HydrophobicContact CZ-CG2 4Å
171Q53.7Low71.3Confident105 Ų10558.7 Ų58.749%0.49130%0.296SS..  trans-124-11.6-175-70.4-170.86.700115.8R187Q171-R187 PolarHBondContact O-NE 3.31Å; Q171-R187 PolarHBondContact O-NH1 3.46Å; Q171-R187 VanDerWaalsContact O-NH1 3.08Å; Q171-R187 PolarHBondContact O-NH2 2.81Å; Q171-R187 VanDerWaalsContact O-NH2 3.17Å
172S58.1Low71.4Confident35 Ų3558.8 Ų58.825%0.24530%0.296CS..  trans-74.8142.6-171.160.70000113.9R134 Y174R134-S172 PolarHBondContact NH1-OG 3.3Å; S172-Y174 WeakPolarHBondContact OG-CE2 3.42Å
173L59.4Low71.6Confident88 Ų8856.2 Ų56.246%0.46129%0.288SS..  trans-88.4117.2-177-64.4177.8000113.1R187 A188L173-R187 HydrophobicContact CD2-CB 3.83Å; L173-R187 HydrophobicContact CD2-CG 3.64Å; L173-A188 HydrophobicContact CD2-CB 3.85Å
174Y64.1Low71.6Confident65 Ų6553.2 Ų53.226%0.25527%0.274SS..  trans-151160.8173.1-61.9-75.2000110.6A160 S172 L180 M184A160-Y174 HydrophobicContact CB-CD1 4.2Å; A160-Y174 HydrophobicContact CB-CD2 4.42Å; A160-Y174 HydrophobicContact CB-CG 3.83Å; S172-Y174 WeakPolarHBondContact OG-CE2 3.42Å; Y174-L180 WeakPolarHBondContact O-CD2 3.3Å; Y174-M184 VanDerWaalsContact O-CE 3.28Å; Y174-M184 WeakPolarHBondContact O-CE 3.27Å
175G66.8Low72.4Confident34 Ų3452.2 Ų52.235%0.35127%0.269SS..SBendtrans120.2174.516800000115D135D135-G175 VanDerWaalsContact OD1-CA 3.28Å; D135-G175 WeakPolarHBondContact OD1-CA 3.3Å
176T80.2Confident73.7Confident29 Ų2945.2 Ų45.218%0.17824%0.236CC..  trans-103124.5-176.5-55.90000110.9D135 K137 E178 Y179 L180D135-T176 PolarHBondContact OD1-N 3.2Å; D135-T176 VanDerWaalsContact OD1-N 3.13Å; D135-T176 PolarHBondContact OD1-OG1 2.87Å; K137-T176 HydrophobicContact CD-CG2 4.13Å; K137-T176 WeakPolarHBondContact CD-OG1 2.84Å; K137-T176 WeakPolarHBondContact CE-OG1 3.49Å; K137-T176 PolarHBondContact NZ-OG1 2.91Å; T176-E178 VanDerWaalsContact CG2-OE2 3.29Å; T176-E178 WeakPolarHBondContact CG2-OE2 3.46Å; T176-E178 PolarHBondContact O-N 3.26Å; T176-Y179 HydrophobicContact CG2-CD2 4.07Å; T176-Y179 HydrophobicContact CG2-CE2 4.48Å; T176-Y179 PolarHBondContact O-N 2.95Å; T176-L180 PolarHBondContact O-N 2.99Å
177E87.2Confident75.2Confident49 Ų4942 Ų4223%0.22922%0.215CC..G310 helixtrans-44-42.4-165.5-60.4-171.4167.700113.9Y179 Y185 V189 K231E177-Y179 VanDerWaalsContact C-N 3.32Å; E177-Y179 PolarHBondContact O-N 2.9Å; E177-Y185 HydrophobicContact CB-CE2 4.17Å; E177-Y185 VanDerWaalsContact O-CD2 3.27Å; E177-Y185 WeakPolarHBondContact O-CD2 3.43Å; E177-Y185 VanDerWaalsContact O-CE2 3.3Å; E177-Y185 WeakPolarHBondContact O-CE2 3.32Å; E177-V189 HydrophobicContact CB-CG2 4.38Å; E177-V189 HydrophobicContact CG-CG2 3.9Å; E177-K231 IonicContact OE1-NZ 3.47Å; E177-K231 PolarHBondContact OE1-NZ 3.37Å; E177-K231 WeakPolarHBondContact OE2-CE 3.3Å; E177-K231 IonicContact OE2-NZ 2.77Å
178E90.8Very high76.4Confident26 Ų2635.8 Ų35.812%0.12119%0.186CC..G310 helixtrans-73.9-17-175.8-56.692.5156.700115.2T176 L219 P227 R228T176-E178 VanDerWaalsContact CG2-OE2 3.29Å; T176-E178 WeakPolarHBondContact CG2-OE2 3.46Å; T176-E178 PolarHBondContact O-N 3.26Å; E178-L219 HydrophobicContact CB-CD1 3.8Å; E178-L219 HydrophobicContact CB-CD2 4.22Å; E178-L219 HydrophobicContact CG-CD1 3.79Å; E178-P227 HydrophobicContact CG-CB 4.18Å; E178-P227 HydrophobicContact CG-CG 3.61Å; E178-R228 IonicContact OE1-CZ 2.71Å; E178-R228 IonicContact OE1-NE 3.66Å; E178-R228 PolarHBondContact OE1-NE 3.15Å; E178-R228 IonicContact OE1-NH2 2.91Å; E178-R228 PolarHBondContact OE1-NH2 3.04Å; E178-R228 IonicContact OE2-NE 3.95Å; E178-R228 IonicContact OE2-NH2 3.37Å; E178-R228 PolarHBondContact OE2-NH2 3.38Å
179Y93.3Very high78Confident18 Ų1833.5 Ų33.57%0.07118%0.177CC..G310 helixtrans-114.6-0.1-174-59.6-94.7000112.7K137 P138 T176 E177 S206 V209 H213 L219K137-Y179 HydrophobicContact CB-CD1 4.1Å; K137-Y179 HydrophobicContact CB-CD2 3.97Å; K137-Y179 HydrophobicContact CB-CE1 4.33Å; K137-Y179 HydrophobicContact CB-CE2 4.2Å; K137-Y179 HydrophobicContact CB-CG 3.93Å; P138-Y179 VanDerWaalsContact CD-CZ 3.45Å; P138-Y179 WeakPolarHBondContact CD-OH 3.36Å; P138-Y179 HydrophobicContact CG-CE1 4.07Å; T176-Y179 HydrophobicContact CG2-CD2 4.07Å; T176-Y179 HydrophobicContact CG2-CE2 4.48Å; T176-Y179 PolarHBondContact O-N 2.95Å; E177-Y179 VanDerWaalsContact C-N 3.32Å; E177-Y179 PolarHBondContact O-N 2.9Å; Y179-S206 WeakPolarHBondContact O-CA 3.13Å; Y179-S206 WeakPolarHBondContact O-CB 3.27Å; Y179-S206 PolarHBondContact O-OG 3.23Å; Y179-V209 HydrophobicContact CD1-CB 3.9Å; Y179-V209 HydrophobicContact CD1-CG1 3.4Å; Y179-V209 VanDerWaalsContact CD1-CG1 3.4Å; Y179-V209 HydrophobicContact CE1-CB 4.49Å; Y179-V209 HydrophobicContact CE1-CG1 3.7Å; Y179-V209 HydrophobicContact CG-CG1 4.12Å; Y179-H213 AromaticContact CZ-ND1 3.99Å; Y179-H213 PolarHBondContact OH-CE1 3.19Å; Y179-H213 PolarHBondContact OH-ND1 3.4Å; Y179-L219 HydrophobicContact CE1-CD2 4.23Å; Y179-L219 HydrophobicContact CE2-CD2 4.38Å
180L90.6Very high79.1Confident7 Ų730.5 Ų30.54%0.03716%0.164CC..  trans-72.9138.5-178.4-75.3177.9000111.6Y174 T176 M184 Y185 A188 V189 W205Y174-L180 WeakPolarHBondContact O-CD2 3.3Å; T176-L180 PolarHBondContact O-N 2.99Å; L180-M184 HydrophobicContact CD2-CB 4.24Å; L180-M184 HydrophobicContact CD2-CE 3.89Å; L180-Y185 HydrophobicContact CB-CD2 4.21Å; L180-Y185 HydrophobicContact CD1-CD2 4.42Å; L180-A188 HydrophobicContact CD1-CB 4.09Å; L180-V189 HydrophobicContact CD1-CG2 4.06Å; L180-W205 PolarHBondContact O-NE1 3Å
181H90.9Very high80Confident4 Ų441.1 Ų41.12%0.01920%0.204CC..  trans-56.2142.5165.7-175-85.6000110.3D183 M184 Y185 V202 W205H181-D183 VanDerWaalsContact C-N 3.26Å; H181-D183 WeakPolarHBondContact ND1-CB 3.33Å; H181-D183 PolarHBondContact ND1-N 2.7Å; H181-D183 PolarHBondContact O-N 3.48Å; H181-D183 VanDerWaalsContact O-N 3.16Å; H181-M184 HydrophobicContact CB-CB 4.46Å; H181-M184 HydrophobicContact CB-CG 4.39Å; H181-M184 HydrophobicContact CB-SD 4.43Å; H181-M184 CarbonylContact O-C 3.47Å; H181-M184 WeakPolarHBondContact O-CA 3.45Å; H181-M184 WeakPolarHBondContact O-CB 3.46Å; H181-M184 PolarHBondContact O-N 3.22Å; H181-Y185 PolarHBondContact O-N 3.12Å; H181-V202 HydrophobicContact CB-CB 4.15Å; H181-V202 HydrophobicContact CB-CG1 4.09Å; H181-W205 HydrophobicContact CB-CB 4.2Å; H181-W205 HydrophobicContact CB-CG 4.18Å
182P89.4Confident81.2Confident4 Ų441 Ų413%0.02620%0.202CC..Hα-helixtrans-50.2-46.8-174-27.231000114M184 Y185 E186 W205 I238 T239 A287P182-M184 VanDerWaalsContact C-N 3.33Å; P182-M184 PolarHBondContact O-N 3.46Å; P182-Y185 WeakPolarHBondContact O-CB 3.29Å; P182-Y185 PolarHBondContact O-N 3.3Å; P182-Y185 VanDerWaalsContact O-N 3.12Å; P182-E186 PolarHBondContact O-N 2.91Å; P182-W205 HydrophobicContact CG-CE3 4.37Å; P182-W205 HydrophobicContact CG-CH2 3.67Å; P182-W205 HydrophobicContact CG-CZ2 3.91Å; P182-W205 HydrophobicContact CG-CZ3 3.91Å; P182-I238 HydrophobicContact CB-CB 4.44Å; P182-I238 HydrophobicContact CB-CD1 4.12Å; P182-I238 HydrophobicContact CB-CG1 3.92Å; P182-I238 HydrophobicContact CG-CB 4.01Å; P182-I238 HydrophobicContact CG-CD1 4.32Å; P182-I238 HydrophobicContact CG-CG1 4.03Å; P182-I238 WeakPolarHBondContact CG-O 3.49Å; P182-T239 HydrophobicContact CB-CG2 3.82Å; P182-A287 HydrophobicContact CG-CB 4.04Å
183D85.6Confident81.6Confident17 Ų1747.4 Ų47.49%0.09123%0.233CC..Hα-helixtrans-62.3-38.1-179.3-115.519.9000110.9H181 K196 Y198 Q289H181-D183 VanDerWaalsContact C-N 3.26Å; H181-D183 WeakPolarHBondContact ND1-CB 3.33Å; H181-D183 PolarHBondContact ND1-N 2.7Å; H181-D183 PolarHBondContact O-N 3.48Å; H181-D183 VanDerWaalsContact O-N 3.16Å; D183-K196 WeakPolarHBondContact OD1-CD 3.46Å; D183-K196 IonicContact OD1-NZ 2.8Å; D183-Y198 HydrophobicContact CB-CD1 3.67Å; D183-Y198 HydrophobicContact CB-CE1 3.32Å; D183-Y198 VanDerWaalsContact O-CE1 3.27Å; D183-Y198 WeakPolarHBondContact O-CE1 3.34Å; D183-Y198 PolarHBondContact O-OH 2.82Å; D183-Q289 PolarHBondContact OD2-NE2 3.4Å
184M84.8Confident81.8Confident9 Ų946.2 Ų46.24%0.04423%0.225CC..Hα-helixtrans-75-36.2173-70.8179.766.700112.1Y174 L180 H181 P182 R187 A188 Y198 V202Y174-M184 VanDerWaalsContact O-CE 3.28Å; Y174-M184 WeakPolarHBondContact O-CE 3.27Å; L180-M184 HydrophobicContact CD2-CB 4.24Å; L180-M184 HydrophobicContact CD2-CE 3.89Å; H181-M184 HydrophobicContact CB-CB 4.46Å; H181-M184 HydrophobicContact CB-CG 4.39Å; H181-M184 HydrophobicContact CB-SD 4.43Å; H181-M184 CarbonylContact O-C 3.47Å; H181-M184 WeakPolarHBondContact O-CA 3.45Å; H181-M184 WeakPolarHBondContact O-CB 3.46Å; H181-M184 PolarHBondContact O-N 3.22Å; P182-M184 VanDerWaalsContact C-N 3.33Å; P182-M184 PolarHBondContact O-N 3.46Å; M184-R187 PolarHBondContact O-N 3.48Å; M184-A188 WeakPolarHBondContact O-CB 3.16Å; M184-A188 PolarHBondContact O-N 3.48Å; M184-Y198 HydrophobicContact CG-CD1 4.27Å; M184-Y198 HydrophobicContact CG-CD2 4.07Å; M184-Y198 HydrophobicContact CG-CE1 4.48Å; M184-Y198 HydrophobicContact CG-CE2 4.27Å; M184-Y198 HydrophobicContact CG-CG 4.04Å; M184-V202 HydrophobicContact CG-CG1 4.25Å; M184-V202 HydrophobicContact SD-CB 3.72Å; M184-V202 HydrophobicContact SD-CG1 3.73Å; M184-V202 HydrophobicContact SD-CG2 3.96Å
185Y87.6Confident81.4Confident1 Ų152.1 Ų52.10%0.00426%0.255CS..Hα-helixtrans-62.2-45.1179.9-172.5-81.7000111.3E177 L180 H181 P182 R187 A188 V189 L190 K231 M234 Y235 I238E177-Y185 HydrophobicContact CB-CE2 4.17Å; E177-Y185 VanDerWaalsContact O-CD2 3.27Å; E177-Y185 WeakPolarHBondContact O-CD2 3.43Å; E177-Y185 VanDerWaalsContact O-CE2 3.3Å; E177-Y185 WeakPolarHBondContact O-CE2 3.32Å; L180-Y185 HydrophobicContact CB-CD2 4.21Å; L180-Y185 HydrophobicContact CD1-CD2 4.42Å; H181-Y185 PolarHBondContact O-N 3.12Å; P182-Y185 WeakPolarHBondContact O-CB 3.29Å; P182-Y185 PolarHBondContact O-N 3.3Å; P182-Y185 VanDerWaalsContact O-N 3.12Å; Y185-R187 VanDerWaalsContact C-N 3.29Å; Y185-R187 PolarHBondContact O-N 2.99Å; Y185-A188 PolarHBondContact O-N 2.76Å; Y185-V189 HydrophobicContact CD1-CB 4.03Å; Y185-V189 HydrophobicContact CD1-CG2 4.34Å; Y185-V189 HydrophobicContact CD2-CB 4.32Å; Y185-V189 HydrophobicContact CD2-CG2 3.77Å; Y185-V189 HydrophobicContact CE1-CB 3.88Å; Y185-V189 HydrophobicContact CE1-CG1 3.9Å; Y185-V189 HydrophobicContact CE1-CG2 4.37Å; Y185-V189 HydrophobicContact CE2-CB 4.17Å; Y185-V189 HydrophobicContact CE2-CG1 4.17Å; Y185-V189 HydrophobicContact CE2-CG2 3.8Å; Y185-V189 HydrophobicContact CG-CB 4.25Å; Y185-V189 HydrophobicContact CG-CG2 4.04Å; Y185-V189 WeakPolarHBondContact O-CA 3.35Å; Y185-V189 VanDerWaalsContact O-CB 3.22Å; Y185-V189 WeakPolarHBondContact O-CB 3.42Å; Y185-V189 PolarHBondContact O-N 3.1Å; Y185-L190 HydrophobicContact CE1-CD2 4.41Å; Y185-L190 HydrophobicContact CE1-CG 4.39Å; Y185-L190 PolarHBondContact O-N 3.48Å; Y185-K231 WeakPolarHBondContact OH-CA 3.47Å; Y185-K231 PolarHBondContact OH-O 2.93Å; Y185-M234 HydrophobicContact CE2-CG 4.06Å; Y185-Y235 AromaticContact CD1-CD2 3.97Å; Y185-Y235 HydrophobicContact CD1-CD2 3.97Å; Y185-Y235 HydrophobicContact CD1-CG 4.47Å; Y185-I238 HydrophobicContact CD1-CD1 4.25Å; Y185-I238 HydrophobicContact CD2-CD1 4.26Å; Y185-I238 HydrophobicContact CG-CD1 3.89Å
186E86.7Confident81.3Confident10 Ų1056.1 Ų56.15%0.04726%0.263CS..Hα-helixtrans-55.5-44.8178-174165.7-14100112.5P182 L190 R191 K192 H194 Y235P182-E186 PolarHBondContact O-N 2.91Å; E186-L190 CarbonylContact O-C 3.52Å; E186-L190 WeakPolarHBondContact O-CA 3.34Å; E186-L190 VanDerWaalsContact O-CB 3.29Å; E186-L190 WeakPolarHBondContact O-CB 3.4Å; E186-L190 PolarHBondContact O-N 3.15Å; E186-R191 PolarHBondContact O-N 3.42Å; E186-K192 HydrophobicContact CG-CB 3.99Å; E186-K192 HydrophobicContact CG-CD 4.03Å; E186-K192 HydrophobicContact CG-CG 4.45Å; E186-K192 PolarHBondContact O-N 3.12Å; E186-K192 WeakPolarHBondContact OE1-CD 3.3Å; E186-H194 VanDerWaalsContact CD-ND1 3.31Å; E186-H194 IonicContact OE1-CE1 2.64Å; E186-H194 PolarHBondContact OE1-CE1 3.37Å; E186-H194 VanDerWaalsContact OE1-CE1 3.24Å; E186-H194 IonicContact OE1-ND1 2.96Å; E186-H194 IonicContact OE2-CD2 3.56Å; E186-H194 PolarHBondContact OE2-CD2 2.95Å; E186-H194 IonicContact OE2-CE1 2.86Å; E186-H194 PolarHBondContact OE2-CE1 3.46Å; E186-H194 IonicContact OE2-CG 3.96Å; E186-H194 IonicContact OE2-ND1 3.5Å; E186-H194 PolarHBondContact OE2-ND1 3.27Å; E186-H194 VanDerWaalsContact OE2-ND1 3.08Å; E186-H194 IonicContact OE2-NE2 2.88Å; E186-H194 PolarHBondContact OE2-NE2 2.91Å; E186-Y235 HydrophobicContact CB-CD2 4.27Å; E186-Y235 HydrophobicContact CB-CE2 3.56Å; E186-Y235 VanDerWaalsContact CD-CZ 3.43Å; E186-Y235 HydrophobicContact CG-CE1 4.38Å; E186-Y235 HydrophobicContact CG-CE2 4.17Å; E186-Y235 PolarHBondContact OE1-OH 2.7Å; E186-Y235 VanDerWaalsContact OE1-OH 3.12Å; E186-Y235 PolarHBondContact OE2-OH 3.06Å
187R82.3Confident80.7Confident50 Ų5059.8 Ų59.819%0.18928%0.276CS..Hα-helixtrans-76.7-45.2-178.3-160.9-168166.1149.3-0.7112Q171 L173 M184 Y185 R191Q171-R187 PolarHBondContact O-NE 3.31Å; Q171-R187 PolarHBondContact O-NH1 3.46Å; Q171-R187 VanDerWaalsContact O-NH1 3.08Å; Q171-R187 PolarHBondContact O-NH2 2.81Å; Q171-R187 VanDerWaalsContact O-NH2 3.17Å; L173-R187 HydrophobicContact CD2-CB 3.83Å; L173-R187 HydrophobicContact CD2-CG 3.64Å; M184-R187 PolarHBondContact O-N 3.48Å; Y185-R187 VanDerWaalsContact C-N 3.29Å; Y185-R187 PolarHBondContact O-N 2.99Å; R187-R191 WeakPolarHBondContact O-CA 3.49Å; R187-R191 PolarHBondContact O-N 3.47Å
188A80.7Confident79.9Confident34 Ų3457.6 Ų57.628%0.28127%0.266SS..Hα-helixtrans-74.4-38.9-175.100000113L173 L180 M184 Y185L173-A188 HydrophobicContact CD2-CB 3.85Å; L180-A188 HydrophobicContact CD1-CB 4.09Å; M184-A188 WeakPolarHBondContact O-CB 3.16Å; M184-A188 PolarHBondContact O-N 3.48Å; Y185-A188 PolarHBondContact O-N 2.76Å
189V83.7Confident79.1Confident19 Ų1957.1 Ų57.112%0.11527%0.267CS..THydrogen-bonded Turntrans-104.5-47-168.9-174.80000111.5E177 L180 Y185 R191 K231E177-V189 HydrophobicContact CB-CG2 4.38Å; E177-V189 HydrophobicContact CG-CG2 3.9Å; L180-V189 HydrophobicContact CD1-CG2 4.06Å; Y185-V189 HydrophobicContact CD1-CB 4.03Å; Y185-V189 HydrophobicContact CD1-CG2 4.34Å; Y185-V189 HydrophobicContact CD2-CB 4.32Å; Y185-V189 HydrophobicContact CD2-CG2 3.77Å; Y185-V189 HydrophobicContact CE1-CB 3.88Å; Y185-V189 HydrophobicContact CE1-CG1 3.9Å; Y185-V189 HydrophobicContact CE1-CG2 4.37Å; Y185-V189 HydrophobicContact CE2-CB 4.17Å; Y185-V189 HydrophobicContact CE2-CG1 4.17Å; Y185-V189 HydrophobicContact CE2-CG2 3.8Å; Y185-V189 HydrophobicContact CG-CB 4.25Å; Y185-V189 HydrophobicContact CG-CG2 4.04Å; Y185-V189 WeakPolarHBondContact O-CA 3.35Å; Y185-V189 VanDerWaalsContact O-CB 3.22Å; Y185-V189 WeakPolarHBondContact O-CB 3.42Å; Y185-V189 PolarHBondContact O-N 3.1Å; V189-R191 VanDerWaalsContact C-N 3.34Å; V189-K231 HydrophobicContact CG1-CB 4.36Å; V189-K231 HydrophobicContact CG1-CD 3.63Å; V189-K231 HydrophobicContact CG1-CG 4.09Å
190L84.1Confident78.4Confident32 Ų3257.5 Ų57.517%0.16828%0.275CS..SBendtrans-85.3-8.8178.9-53.1-177000113.2Y185 E186 K192 K231 Y235Y185-L190 HydrophobicContact CE1-CD2 4.41Å; Y185-L190 HydrophobicContact CE1-CG 4.39Å; Y185-L190 PolarHBondContact O-N 3.48Å; E186-L190 CarbonylContact O-C 3.52Å; E186-L190 WeakPolarHBondContact O-CA 3.34Å; E186-L190 VanDerWaalsContact O-CB 3.29Å; E186-L190 WeakPolarHBondContact O-CB 3.4Å; E186-L190 PolarHBondContact O-N 3.15Å; L190-K192 HydrophobicContact CB-CD 4.4Å; L190-K192 HydrophobicContact CB-CG 4.15Å; L190-K192 PolarHBondContact O-N 3.4Å; L190-K192 VanDerWaalsContact O-N 3.16Å; L190-K231 HydrophobicContact CD2-CB 4.05Å; L190-Y235 HydrophobicContact CD1-CD1 3.6Å; L190-Y235 HydrophobicContact CD1-CD2 4.25Å; L190-Y235 HydrophobicContact CD1-CE1 4.25Å; L190-Y235 HydrophobicContact CD1-CG 3.6Å
191R80.8Confident78.1Confident228 Ų22858.8 Ų58.886%0.8628%0.283SS*.  trans53.133179.8-57.7-177.1178.2179.9-0.3113.3E186 R187 V189E186-R191 PolarHBondContact O-N 3.42Å; R187-R191 WeakPolarHBondContact O-CA 3.49Å; R187-R191 PolarHBondContact O-N 3.47Å; V189-R191 VanDerWaalsContact C-N 3.34Å
192K78.4Confident77.9Confident103 Ų10358.6 Ų58.645%0.44828%0.282SS..  trans-85138.4174.5-65.5-178.4-178.9175.60109.5E186 L190 H194E186-K192 HydrophobicContact CG-CB 3.99Å; E186-K192 HydrophobicContact CG-CD 4.03Å; E186-K192 HydrophobicContact CG-CG 4.45Å; E186-K192 PolarHBondContact O-N 3.12Å; E186-K192 WeakPolarHBondContact OE1-CD 3.3Å; L190-K192 HydrophobicContact CB-CD 4.4Å; L190-K192 HydrophobicContact CB-CG 4.15Å; L190-K192 PolarHBondContact O-N 3.4Å; L190-K192 VanDerWaalsContact O-N 3.16Å; K192-H194 PolarHBondContact O-N 2.97Å
193D67.3Low78Confident168 Ų16858.5 Ų58.590%0.89828%0.281SS*.  trans-68.7113.7171.7-97.9-25.3000109.2
194H63.3Low78.5Confident63 Ų6357.7 Ų57.729%0.29228%0.277SS..  trans-126.6126.9173-103.872.8000108.9E186 K192 K196E186-H194 VanDerWaalsContact CD-ND1 3.31Å; E186-H194 IonicContact OE1-CE1 2.64Å; E186-H194 PolarHBondContact OE1-CE1 3.37Å; E186-H194 VanDerWaalsContact OE1-CE1 3.24Å; E186-H194 IonicContact OE1-ND1 2.96Å; E186-H194 IonicContact OE2-CD2 3.56Å; E186-H194 PolarHBondContact OE2-CD2 2.95Å; E186-H194 IonicContact OE2-CE1 2.86Å; E186-H194 PolarHBondContact OE2-CE1 3.46Å; E186-H194 IonicContact OE2-CG 3.96Å; E186-H194 IonicContact OE2-ND1 3.5Å; E186-H194 PolarHBondContact OE2-ND1 3.27Å; E186-H194 VanDerWaalsContact OE2-ND1 3.08Å; E186-H194 IonicContact OE2-NE2 2.88Å; E186-H194 PolarHBondContact OE2-NE2 2.91Å; K192-H194 PolarHBondContact O-N 2.97Å; H194-K196 VanDerWaalsContact C-N 3.27Å
195Q56.1Low79Confident190 Ų19057.4 Ų57.489%0.88828%0.275SS*.  trans-82.7-2.7177.5-68.9-170.8-11.900113.1K197Q195-K197 PolarHBondContact O-N 3.1Å
196K64.6Low79.4Confident117 Ų11757.7 Ų57.751%0.50928%0.277SS..  trans-64.6126.2176-77.6-171179.6-1780109.6D183 H194D183-K196 WeakPolarHBondContact OD1-CD 3.46Å; D183-K196 IonicContact OD1-NZ 2.8Å; H194-K196 VanDerWaalsContact C-N 3.27Å
197K67.1Low79.9Confident106 Ų10657.2 Ų57.246%0.46128%0.275SS..  trans-92.7148.4173.9-54.1165.8161.9-174.90107.8Q169 Q195Q169-K197 HydrophobicContact CB-CB 3.3Å; Q169-K197 HydrophobicContact CB-CD 3.97Å; Q169-K197 HydrophobicContact CB-CG 4.23Å; Q169-K197 HydrophobicContact CG-CB 4.1Å; Q169-K197 VanDerWaalsContact OE1-CB 3.25Å; Q195-K197 PolarHBondContact O-N 3.1Å
198Y70.8Confident80.7Confident4 Ų454.9 Ų54.92%0.01627%0.266CS..BIsolated β-bridgetrans-108.7142.3-175.7-41.3-71.2000110.3Q169 F170 D183 M184Q169-Y198 WeakPolarHBondContact CA-O 3.41Å; F170-Y198 WeakPolarHBondContact CD1-O 3.39Å; F170-Y198 VanDerWaalsContact CE1-O 3.24Å; F170-Y198 WeakPolarHBondContact CE1-O 3.46Å; F170-Y198 HydrophobicContact CE2-CD2 4.25Å; F170-Y198 PolarHBondContact N-O 2.68Å; F170-Y198 VanDerWaalsContact N-O 3.13Å; F170-Y198 PolarHBondContact O-N 3.31Å; D183-Y198 HydrophobicContact CB-CD1 3.67Å; D183-Y198 HydrophobicContact CB-CE1 3.32Å; D183-Y198 VanDerWaalsContact O-CE1 3.27Å; D183-Y198 WeakPolarHBondContact O-CE1 3.34Å; D183-Y198 PolarHBondContact O-OH 2.82Å; M184-Y198 HydrophobicContact CG-CD1 4.27Å; M184-Y198 HydrophobicContact CG-CD2 4.07Å; M184-Y198 HydrophobicContact CG-CE1 4.48Å; M184-Y198 HydrophobicContact CG-CE2 4.27Å; M184-Y198 HydrophobicContact CG-CG 4.04Å
199G72.9Confident81.5Confident15 Ų1553.3 Ų53.316%0.15525%0.253CS..  trans-100.5-172176.900000113T201 V202G199-T201 PolarHBondContact O-N 3.1Å; G199-V202 PolarHBondContact O-N 2.93Å
200A78.6Confident82.2Confident27 Ų2752.4 Ų52.422%0.22325%0.248CC..THydrogen-bonded Turntrans-64-21.4-17900000114V132 L164 V202 D203 F295V132-A200 HydrophobicContact CG2-CB 3.65Å; L164-A200 HydrophobicContact CD1-CB 4.33Å; A200-V202 PolarHBondContact O-N 3.46Å; A200-V202 VanDerWaalsContact O-N 3.1Å; A200-D203 PolarHBondContact O-N 2.92Å; A200-F295 HydrophobicContact CB-CD2 4.45Å; A200-F295 HydrophobicContact CB-CE2 3.67Å; A200-F295 HydrophobicContact CB-CZ 4.49Å; A200-F295 WeakPolarHBondContact O-CE2 3.46Å; A200-F295 WeakPolarHBondContact O-CZ 3.31Å
201T84.8Confident82.9Confident33 Ų3350.9 Ų50.920%0.20224%0.24CC..THydrogen-bonded Turntrans-64.7-12.3-178.152.60000114.2G199 D203 L204G199-T201 PolarHBondContact O-N 3.1Å; T201-D203 PolarHBondContact O-N 2.95Å; T201-L204 HydrophobicContact CG2-CD1 4.37Å; T201-L204 WeakPolarHBondContact O-CB 3.44Å; T201-L204 PolarHBondContact O-N 3.47Å
202V87.4Confident83.8Confident1 Ų140.2 Ų40.21%0.00620%0.2CC..Hα-helixtrans-59.7-31.8174.2-61.30000112.8V132 R134 F170 H181 M184 G199 A200 L204 W205 S206V132-V202 HydrophobicContact CG1-CG2 4.37Å; R134-V202 HydrophobicContact CG-CG2 4.46Å; F170-V202 HydrophobicContact CZ-CG2 4Å; H181-V202 HydrophobicContact CB-CB 4.15Å; H181-V202 HydrophobicContact CB-CG1 4.09Å; M184-V202 HydrophobicContact CG-CG1 4.25Å; M184-V202 HydrophobicContact SD-CB 3.72Å; M184-V202 HydrophobicContact SD-CG1 3.73Å; M184-V202 HydrophobicContact SD-CG2 3.96Å; G199-V202 PolarHBondContact O-N 2.93Å; A200-V202 PolarHBondContact O-N 3.46Å; A200-V202 VanDerWaalsContact O-N 3.1Å; V202-L204 VanDerWaalsContact C-N 3.29Å; V202-L204 PolarHBondContact O-N 3.29Å; V202-W205 PolarHBondContact O-N 3.23Å; V202-S206 PolarHBondContact O-N 2.89Å
203D91.6Very high84.7Confident1 Ų136.3 Ų36.31%0.00518%0.183CC..Hα-helixtrans-68.2-32.4177.3-83.1-5.8000111.1M123 V132 H133 R134 I136 A200 T201 W205 S206 I207 F295M123-D203 HydrophobicContact CE-CB 3.91Å; V132-D203 VanDerWaalsContact CG1-OD2 3.27Å; V132-D203 WeakPolarHBondContact CG1-OD2 3.32Å; H133-D203 PolarHBondContact N-OD2 3.03Å; R134-D203 WeakPolarHBondContact CA-OD1 3.33Å; R134-D203 PolarHBondContact N-OD1 3.11Å; I136-D203 HydrophobicContact CD1-CB 3.75Å; A200-D203 PolarHBondContact O-N 2.92Å; T201-D203 PolarHBondContact O-N 2.95Å; D203-W205 VanDerWaalsContact C-N 3.31Å; D203-W205 PolarHBondContact O-N 3.45Å; D203-S206 PolarHBondContact O-N 2.99Å; D203-I207 WeakPolarHBondContact O-CB 3.29Å; D203-I207 WeakPolarHBondContact O-CD1 3.43Å; D203-I207 WeakPolarHBondContact O-CG1 3.12Å; D203-I207 PolarHBondContact O-N 3.49Å; D203-F295 HydrophobicContact CB-CZ 4.29Å
204L95.3Very high86.2Confident0 Ų028.3 Ų28.30%014%0.14CC..Hα-helixtrans-63.9-37.2176.9-63.8179.6000111.7T201 V202 I207 G208 I284 W293 F295 F298T201-L204 HydrophobicContact CG2-CD1 4.37Å; T201-L204 WeakPolarHBondContact O-CB 3.44Å; T201-L204 PolarHBondContact O-N 3.47Å; V202-L204 VanDerWaalsContact C-N 3.29Å; V202-L204 PolarHBondContact O-N 3.29Å; L204-I207 HydrophobicContact CD2-CD1 4.48Å; L204-I207 PolarHBondContact O-N 3.46Å; L204-G208 PolarHBondContact O-N 3.08Å; L204-I284 HydrophobicContact CB-CB 4.1Å; L204-I284 HydrophobicContact CB-CG2 4.3Å; L204-W293 WeakPolarHBondContact CD1-O 3.18Å; L204-F295 HydrophobicContact CD1-CD2 4.46Å; L204-F295 HydrophobicContact CD1-CE2 4.47Å; L204-F295 HydrophobicContact CD2-CD1 3.8Å; L204-F295 HydrophobicContact CD2-CE1 3.59Å; L204-F295 HydrophobicContact CD2-CG 4.47Å; L204-F295 HydrophobicContact CD2-CZ 4.09Å; L204-F295 HydrophobicContact CG-CD1 4.37Å; L204-F295 HydrophobicContact CG-CE1 4Å; L204-F295 HydrophobicContact CG-CE2 4.29Å; L204-F295 HydrophobicContact CG-CZ 3.96Å; L204-F298 HydrophobicContact CD2-CB 4.09Å; L204-F298 HydrophobicContact CD2-CD1 3.64Å; L204-F298 HydrophobicContact CD2-CD2 4.22Å; L204-F298 HydrophobicContact CD2-CE1 4.09Å; L204-F298 HydrophobicContact CD2-CG 3.7Å
205W95.9Very high87.9Confident3 Ų325.3 Ų25.31%0.01113%0.126CC..Hα-helixtrans-63.8-50.3173.1178.8-80.4000111.6L180 H181 P182 V202 D203 I207 G208 V209 F221 I238 L285 A287L180-W205 PolarHBondContact O-NE1 3Å; H181-W205 HydrophobicContact CB-CB 4.2Å; H181-W205 HydrophobicContact CB-CG 4.18Å; P182-W205 HydrophobicContact CG-CE3 4.37Å; P182-W205 HydrophobicContact CG-CH2 3.67Å; P182-W205 HydrophobicContact CG-CZ2 3.91Å; P182-W205 HydrophobicContact CG-CZ3 3.91Å; V202-W205 PolarHBondContact O-N 3.23Å; D203-W205 VanDerWaalsContact C-N 3.31Å; D203-W205 PolarHBondContact O-N 3.45Å; W205-I207 VanDerWaalsContact C-N 3.27Å; W205-I207 PolarHBondContact O-N 2.71Å; W205-G208 PolarHBondContact O-N 3.08Å; W205-G208 VanDerWaalsContact O-N 3.07Å; W205-V209 WeakPolarHBondContact O-CG2 3.28Å; W205-V209 PolarHBondContact O-N 3.46Å; W205-F221 AromaticContact CH2-CE2 3.87Å; W205-F221 HydrophobicContact CH2-CE2 3.87Å; W205-F221 HydrophobicContact CH2-CZ 4.21Å; W205-F221 HydrophobicContact CZ2-CD2 4.1Å; W205-F221 AromaticContact CZ2-CE2 3.59Å; W205-F221 HydrophobicContact CZ2-CE2 3.59Å; W205-F221 HydrophobicContact CZ2-CZ 4.38Å; W205-I238 HydrophobicContact CH2-CB 4.11Å; W205-I238 HydrophobicContact CZ2-CB 3.87Å; W205-I238 HydrophobicContact CZ2-CG2 3.98Å; W205-L285 HydrophobicContact CD2-CD2 4.12Å; W205-L285 HydrophobicContact CE3-CD2 4.32Å; W205-L285 HydrophobicContact CG-CD2 4.46Å; W205-L285 HydrophobicContact CZ3-CB 4.46Å; W205-A287 HydrophobicContact CZ3-CB 4.44Å
206S95.7Very high89.8Confident7 Ų716.4 Ų16.45%0.0499%0.085CC..Hα-helixtrans-61-36.7179.3-61.60000112.4I136 Y179 V202 D203 T210I136-S206 WeakPolarHBondContact O-CB 3.23Å; Y179-S206 WeakPolarHBondContact O-CA 3.13Å; Y179-S206 WeakPolarHBondContact O-CB 3.27Å; Y179-S206 PolarHBondContact O-OG 3.23Å; V202-S206 PolarHBondContact O-N 2.89Å; D203-S206 PolarHBondContact O-N 2.99Å; S206-T210 WeakPolarHBondContact O-CB 3.37Å; S206-T210 PolarHBondContact O-N 3.34Å; S206-T210 PolarHBondContact O-OG1 3Å
207I97.2Very high91.3Very high1 Ų111.6 Ų11.61%0.0057%0.069CC..Hα-helixtrans-64.8-46.2171.4-70.2161.7000110.9M123 I136 D203 L204 W205 V209 T210 F211 I284 F298M123-I207 HydrophobicContact CE-CD1 3.95Å; M123-I207 HydrophobicContact CG-CD1 3.66Å; M123-I207 HydrophobicContact SD-CD1 4.09Å; I136-I207 HydrophobicContact CD1-CD1 3.84Å; I136-I207 HydrophobicContact CD1-CG1 3.74Å; I136-I207 HydrophobicContact CG2-CG1 3.96Å; D203-I207 WeakPolarHBondContact O-CB 3.29Å; D203-I207 WeakPolarHBondContact O-CD1 3.43Å; D203-I207 WeakPolarHBondContact O-CG1 3.12Å; D203-I207 PolarHBondContact O-N 3.49Å; L204-I207 HydrophobicContact CD2-CD1 4.48Å; L204-I207 PolarHBondContact O-N 3.46Å; W205-I207 VanDerWaalsContact C-N 3.27Å; W205-I207 PolarHBondContact O-N 2.71Å; I207-V209 VanDerWaalsContact C-N 3.34Å; I207-V209 PolarHBondContact O-N 3.18Å; I207-T210 CarbonylContact O-C 3.46Å; I207-T210 WeakPolarHBondContact O-CA 3.36Å; I207-T210 WeakPolarHBondContact O-CB 3.48Å; I207-T210 PolarHBondContact O-N 3.4Å; I207-T210 VanDerWaalsContact O-N 3.08Å; I207-F211 HydrophobicContact CG2-CD2 3.58Å; I207-F211 HydrophobicContact CG2-CE1 4.26Å; I207-F211 HydrophobicContact CG2-CE2 3.22Å; I207-F211 HydrophobicContact CG2-CG 4.24Å; I207-F211 HydrophobicContact CG2-CZ 3.6Å; I207-F211 PolarHBondContact O-N 3.24Å; I207-I284 HydrophobicContact CG2-CD1 4.49Å; I207-F298 HydrophobicContact CG2-CE2 4.36Å; I207-F298 HydrophobicContact CG2-CZ 3.97Å
208G98.1Very high92.6Very high0 Ų08.3 Ų8.30%06%0.059CC..Hα-helixtrans-58-44.7177.200000112.6L204 W205 T210 F211 Y212 L281L204-G208 PolarHBondContact O-N 3.08Å; W205-G208 PolarHBondContact O-N 3.08Å; W205-G208 VanDerWaalsContact O-N 3.07Å; G208-T210 VanDerWaalsContact C-N 3.31Å; G208-T210 PolarHBondContact O-N 3.3Å; G208-F211 PolarHBondContact O-N 3.48Å; G208-Y212 WeakPolarHBondContact O-CB 3.49Å; G208-Y212 PolarHBondContact O-N 2.94Å; G208-L281 WeakPolarHBondContact O-CD2 3.32Å
209V98.4Very high93.8Very high1 Ų19.5 Ų9.51%0.0067%0.066CC..Hα-helixtrans-63.2-41.3175.1177.80000110.5Y179 W205 I207 H213 L219 P220 L285Y179-V209 HydrophobicContact CD1-CB 3.9Å; Y179-V209 HydrophobicContact CD1-CG1 3.4Å; Y179-V209 VanDerWaalsContact CD1-CG1 3.4Å; Y179-V209 HydrophobicContact CE1-CB 4.49Å; Y179-V209 HydrophobicContact CE1-CG1 3.7Å; Y179-V209 HydrophobicContact CG-CG1 4.12Å; W205-V209 WeakPolarHBondContact O-CG2 3.28Å; W205-V209 PolarHBondContact O-N 3.46Å; I207-V209 VanDerWaalsContact C-N 3.34Å; I207-V209 PolarHBondContact O-N 3.18Å; V209-H213 VanDerWaalsContact O-CB 3.32Å; V209-H213 WeakPolarHBondContact O-CB 3.24Å; V209-H213 PolarHBondContact O-N 3.36Å; V209-L219 HydrophobicContact CG1-CD2 4.09Å; V209-P220 HydrophobicContact CB-CG 4.31Å; V209-P220 HydrophobicContact CG1-CG 3.98Å; V209-P220 HydrophobicContact CG2-CG 4.11Å; V209-L285 HydrophobicContact CG2-CD2 3.76Å
210T98.5Very high94.9Very high0 Ų08.9 Ų8.90%06%0.059CC..Hα-helixtrans-64-46.4178.5-63.50000112.2L94 P138 I141 S206 I207 G208 H213 A214L94-T210 HydrophobicContact CD2-CG2 4.2Å; P138-T210 HydrophobicContact CG-CG2 4.16Å; I141-T210 HydrophobicContact CD1-CG2 3.66Å; S206-T210 WeakPolarHBondContact O-CB 3.37Å; S206-T210 PolarHBondContact O-N 3.34Å; S206-T210 PolarHBondContact O-OG1 3Å; I207-T210 CarbonylContact O-C 3.46Å; I207-T210 WeakPolarHBondContact O-CA 3.36Å; I207-T210 WeakPolarHBondContact O-CB 3.48Å; I207-T210 PolarHBondContact O-N 3.4Å; I207-T210 VanDerWaalsContact O-N 3.08Å; G208-T210 VanDerWaalsContact C-N 3.31Å; G208-T210 PolarHBondContact O-N 3.3Å; T210-H213 PolarHBondContact O-N 2.64Å; T210-A214 WeakPolarHBondContact O-CB 3.49Å; T210-A214 PolarHBondContact O-N 3.15Å
211F98.8Very high95.8Very high0 Ų07.8 Ų7.80%05%0.049CC..Hα-helixtrans-67.5-40177.9-70.2-20.2000112F112 V115 L116 V119 V120 I207 G208 H213 A214 A215 L281 F298F112-F211 HydrophobicContact CE2-CB 4.47Å; F112-F211 WeakPolarHBondContact CE2-O 3.42Å; F112-F211 HydrophobicContact CZ-CB 4.43Å; V115-F211 HydrophobicContact CG1-CD1 4.5Å; V115-F211 HydrophobicContact CG1-CE1 4.31Å; L116-F211 HydrophobicContact CD1-CD2 4.05Å; L116-F211 HydrophobicContact CD1-CE1 4.27Å; L116-F211 HydrophobicContact CD1-CE2 3.46Å; L116-F211 VanDerWaalsContact CD1-CE2 3.46Å; L116-F211 HydrophobicContact CD1-CZ 3.6Å; V119-F211 HydrophobicContact CB-CE1 3.93Å; V119-F211 HydrophobicContact CB-CZ 4.06Å; V119-F211 HydrophobicContact CG1-CE1 3.94Å; V119-F211 HydrophobicContact CG1-CZ 3.9Å; V119-F211 HydrophobicContact CG2-CE1 4.35Å; V120-F211 HydrophobicContact CG2-CE2 4.49Å; V120-F211 HydrophobicContact CG2-CZ 4.23Å; I207-F211 HydrophobicContact CG2-CD2 3.58Å; I207-F211 HydrophobicContact CG2-CE1 4.26Å; I207-F211 HydrophobicContact CG2-CE2 3.22Å; I207-F211 HydrophobicContact CG2-CG 4.24Å; I207-F211 HydrophobicContact CG2-CZ 3.6Å; I207-F211 PolarHBondContact O-N 3.24Å; G208-F211 PolarHBondContact O-N 3.48Å; F211-H213 VanDerWaalsContact C-N 3.32Å; F211-H213 PolarHBondContact O-N 3.18Å; F211-A214 PolarHBondContact O-N 3.34Å; F211-A215 VanDerWaalsContact O-CB 3.27Å; F211-A215 WeakPolarHBondContact O-CB 3.39Å; F211-A215 PolarHBondContact O-N 2.93Å; F211-L281 HydrophobicContact CB-CD2 3.91Å; F211-F298 HydrophobicContact CE2-CE2 4.28Å; F211-F298 HydrophobicContact CE2-CZ 4.1Å
212Y98.7Very high96.3Very high4 Ų410.7 Ų10.72%0.0166%0.056CC..Hα-helixtrans-60.7-44.2172.6-173.2-79.3000111.4G208 A214 A215 T216 S218 P220 I246 S247 M263 L281G208-Y212 WeakPolarHBondContact O-CB 3.49Å; G208-Y212 PolarHBondContact O-N 2.94Å; Y212-A214 PolarHBondContact O-N 3.08Å; Y212-A215 PolarHBondContact O-N 3.31Å; Y212-T216 HydrophobicContact CD1-CG2 4.23Å; Y212-T216 WeakPolarHBondContact CD1-OG1 3.33Å; Y212-T216 HydrophobicContact CE1-CG2 3.88Å; Y212-T216 WeakPolarHBondContact CE1-OG1 3.46Å; Y212-T216 HydrophobicContact CE2-CG2 4.26Å; Y212-T216 WeakPolarHBondContact O-CB 3.48Å; Y212-T216 WeakPolarHBondContact O-CG2 3.4Å; Y212-T216 PolarHBondContact O-N 3.2Å; Y212-T216 PolarHBondContact O-OG1 2.96Å; Y212-S218 VanDerWaalsContact CD1-O 3.29Å; Y212-S218 WeakPolarHBondContact CD1-O 3.47Å; Y212-S218 WeakPolarHBondContact CE1-O 3.1Å; Y212-P220 HydrophobicContact CD1-CB 3.59Å; Y212-P220 HydrophobicContact CD1-CG 4.1Å; Y212-P220 HydrophobicContact CD2-CB 4.09Å; Y212-P220 VanDerWaalsContact CE1-CA 3.44Å; Y212-P220 HydrophobicContact CE1-CB 3.92Å; Y212-P220 HydrophobicContact CE2-CB 4.38Å; Y212-P220 HydrophobicContact CG-CB 3.69Å; Y212-P220 HydrophobicContact CG-CG 4.22Å; Y212-I246 HydrophobicContact CD2-CD1 4.37Å; Y212-I246 HydrophobicContact CE2-CB 4.5Å; Y212-I246 HydrophobicContact CE2-CD1 4.02Å; Y212-I246 HydrophobicContact CE2-CG1 4.12Å; Y212-S247 VanDerWaalsContact OH-CB 3.25Å; Y212-S247 WeakPolarHBondContact OH-CB 3.37Å; Y212-S247 PolarHBondContact OH-OG 2.96Å; Y212-M263 HydrophobicContact CD2-SD 4.36Å; Y212-M263 HydrophobicContact CE2-SD 4.19Å; Y212-L281 HydrophobicContact CD2-CD1 4.27Å
213H98.2Very high96.6Very high21 Ų2111 Ų1110%0.0976%0.058CC..Hα-helixtrans-63.3-42.2177.6-170.8-173.6000111.7Y179 V209 T210 F211 A215 T216 G217 S218Y179-H213 AromaticContact CZ-ND1 3.99Å; Y179-H213 PolarHBondContact OH-CE1 3.19Å; Y179-H213 PolarHBondContact OH-ND1 3.4Å; V209-H213 VanDerWaalsContact O-CB 3.32Å; V209-H213 WeakPolarHBondContact O-CB 3.24Å; V209-H213 PolarHBondContact O-N 3.36Å; T210-H213 PolarHBondContact O-N 2.64Å; F211-H213 VanDerWaalsContact C-N 3.32Å; F211-H213 PolarHBondContact O-N 3.18Å; H213-A215 PolarHBondContact O-N 3.34Å; H213-T216 PolarHBondContact O-N 2.71Å; H213-G217 VanDerWaalsContact O-CA 3.27Å; H213-G217 WeakPolarHBondContact O-CA 3.48Å; H213-G217 PolarHBondContact O-N 3.02Å; H213-S218 WeakPolarHBondContact CA-O 3.25Å
214A98.6Very high96.5Very high0 Ų014 Ų140%07%0.071CC..Hα-helixtrans-65-38.3175.500000112.7G106 L107 F112 T210 F211 Y212G106-A214 WeakPolarHBondContact CA-O 3.46Å; L107-A214 HydrophobicContact CD1-CB 4.02Å; L107-A214 PolarHBondContact N-O 2.83Å; F112-A214 HydrophobicContact CD2-CB 4.04Å; F112-A214 HydrophobicContact CE2-CB 4.12Å; T210-A214 WeakPolarHBondContact O-CB 3.49Å; T210-A214 PolarHBondContact O-N 3.15Å; F211-A214 PolarHBondContact O-N 3.34Å; Y212-A214 PolarHBondContact O-N 3.08Å
215A98.5Very high96Very high0 Ų019.8 Ų19.80%010%0.098CC..Hα-helixtrans-73-27.8-179.900000113.8F112 F211 Y212 H213 M263 C267 L269 L277F112-A215 HydrophobicContact CD2-CB 4.19Å; F112-A215 HydrophobicContact CE2-CB 3.8Å; F112-A215 HydrophobicContact CZ-CB 4.41Å; F211-A215 VanDerWaalsContact O-CB 3.27Å; F211-A215 WeakPolarHBondContact O-CB 3.39Å; F211-A215 PolarHBondContact O-N 2.93Å; Y212-A215 PolarHBondContact O-N 3.31Å; H213-A215 PolarHBondContact O-N 3.34Å; A215-M263 HydrophobicContact CB-CE 4.21Å; A215-C267 PolarHBondContact O-SG 3.11Å; A215-L269 HydrophobicContact CB-CD1 3.64Å; A215-L269 HydrophobicContact CB-CG 4.38Å; A215-L277 HydrophobicContact CB-CD2 4.43Å
216T97.1Very high95.6Very high3 Ų320.6 Ų20.62%0.01811%0.108CC..Hα-helixtrans-124.8-11-169690000114.9Y105 G106 Y212 H213 S218 M263 P264Y105-T216 VanDerWaalsContact C-C 3.41Å; Y105-T216 CarbonylContact C-O 3.54Å; Y105-T216 VanDerWaalsContact C-O 3.23Å; Y105-T216 WeakPolarHBondContact CA-O 3.3Å; G106-T216 VanDerWaalsContact N-C 3.34Å; Y212-T216 HydrophobicContact CD1-CG2 4.23Å; Y212-T216 WeakPolarHBondContact CD1-OG1 3.33Å; Y212-T216 HydrophobicContact CE1-CG2 3.88Å; Y212-T216 WeakPolarHBondContact CE1-OG1 3.46Å; Y212-T216 HydrophobicContact CE2-CG2 4.26Å; Y212-T216 WeakPolarHBondContact O-CB 3.48Å; Y212-T216 WeakPolarHBondContact O-CG2 3.4Å; Y212-T216 PolarHBondContact O-N 3.2Å; Y212-T216 PolarHBondContact O-OG1 2.96Å; H213-T216 PolarHBondContact O-N 2.71Å; T216-S218 PolarHBondContact O-N 3.08Å; T216-S218 PolarHBondContact OG1-N 2.82Å; T216-S218 PolarHBondContact OG1-O 2.87Å; T216-M263 HydrophobicContact CG2-SD 3.94Å; T216-P264 HydrophobicContact CG2-CG 3.92Å
217G95.4Very high95.2Very high17 Ų1721.1 Ų21.118%0.17511%0.111CC..SBendtrans69.64.5-173.400000113.9H213H213-G217 VanDerWaalsContact O-CA 3.27Å; H213-G217 WeakPolarHBondContact O-CA 3.48Å; H213-G217 PolarHBondContact O-N 3.02Å
218S93.6Very high94.7Very high36 Ų3628.4 Ų28.425%0.25214%0.138SC..SBendtrans-132.5151.5-179.1-74.10000111.8Y212 H213 T216 R222Y212-S218 VanDerWaalsContact CD1-O 3.29Å; Y212-S218 WeakPolarHBondContact CD1-O 3.47Å; Y212-S218 WeakPolarHBondContact CE1-O 3.1Å; H213-S218 WeakPolarHBondContact CA-O 3.25Å; T216-S218 PolarHBondContact O-N 3.08Å; T216-S218 PolarHBondContact OG1-N 2.82Å; T216-S218 PolarHBondContact OG1-O 2.87Å; S218-R222 PolarHBondContact OG-NH1 3.42Å
219L96Very high94.2Very high30 Ų3037.7 Ų37.716%0.15717%0.173CC..  trans-66.9144.8171.7-67.1169.7000111.2E178 Y179 V209 F221 R222 P227 H249E178-L219 HydrophobicContact CB-CD1 3.8Å; E178-L219 HydrophobicContact CB-CD2 4.22Å; E178-L219 HydrophobicContact CG-CD1 3.79Å; Y179-L219 HydrophobicContact CE1-CD2 4.23Å; Y179-L219 HydrophobicContact CE2-CD2 4.38Å; V209-L219 HydrophobicContact CG1-CD2 4.09Å; L219-F221 PolarHBondContact O-N 3.35Å; L219-R222 HydrophobicContact CB-CG 4.17Å; L219-P227 HydrophobicContact CD1-CG 4.25Å; L219-H249 PolarHBondContact O-CE1 2.99Å
220P97.3Very high93.8Very high1 Ų139.5 Ų39.51%0.00618%0.183CC..SBendtrans-66.7-35.5179.724-31.7000113.1V209 Y212 I246 S247 G248 H249V209-P220 HydrophobicContact CB-CG 4.31Å; V209-P220 HydrophobicContact CG1-CG 3.98Å; V209-P220 HydrophobicContact CG2-CG 4.11Å; Y212-P220 HydrophobicContact CD1-CB 3.59Å; Y212-P220 HydrophobicContact CD1-CG 4.1Å; Y212-P220 HydrophobicContact CD2-CB 4.09Å; Y212-P220 VanDerWaalsContact CE1-CA 3.44Å; Y212-P220 HydrophobicContact CE1-CB 3.92Å; Y212-P220 HydrophobicContact CE2-CB 4.38Å; Y212-P220 HydrophobicContact CG-CB 3.69Å; Y212-P220 HydrophobicContact CG-CG 4.22Å; P220-I246 VanDerWaalsContact CB-O 3.25Å; P220-I246 WeakPolarHBondContact CB-O 3.3Å; P220-S247 CarbonylContact O-C 3.58Å; P220-S247 VanDerWaalsContact O-CA 3.23Å; P220-S247 WeakPolarHBondContact O-CA 3.31Å; P220-S247 VanDerWaalsContact O-CB 3.22Å; P220-S247 WeakPolarHBondContact O-CB 3.26Å; P220-G248 PolarHBondContact O-N 3.37Å; P220-H249 PolarHBondContact O-CE1 3.28Å; P220-H249 PolarHBondContact O-ND1 3.05Å
221F96.9Very high93.5Very high4 Ų442.3 Ų42.32%0.01820%0.195CC..EExtended strand (participates in β ladder)trans-116.5116.5-175.3-54.1-62.6000109.7W205 L219 M234 I237 I238 K241 G248 L285W205-F221 AromaticContact CH2-CE2 3.87Å; W205-F221 HydrophobicContact CH2-CE2 3.87Å; W205-F221 HydrophobicContact CH2-CZ 4.21Å; W205-F221 HydrophobicContact CZ2-CD2 4.1Å; W205-F221 AromaticContact CZ2-CE2 3.59Å; W205-F221 HydrophobicContact CZ2-CE2 3.59Å; W205-F221 HydrophobicContact CZ2-CZ 4.38Å; L219-F221 PolarHBondContact O-N 3.35Å; F221-M234 HydrophobicContact CB-CE 3.93Å; F221-M234 HydrophobicContact CB-SD 4.12Å; F221-I237 HydrophobicContact CB-CG2 3.74Å; F221-I237 HydrophobicContact CD1-CG2 3.56Å; F221-I237 HydrophobicContact CG-CG2 3.97Å; F221-I238 HydrophobicContact CB-CG2 3.92Å; F221-I238 HydrophobicContact CD2-CG2 3.73Å; F221-I238 HydrophobicContact CE2-CG2 4.42Å; F221-I238 HydrophobicContact CG-CG2 3.81Å; F221-K241 HydrophobicContact CE1-CD 3.92Å; F221-K241 HydrophobicContact CE1-CG 4.35Å; F221-K241 HydrophobicContact CZ-CD 3.77Å; F221-G248 WeakPolarHBondContact CA-O 3.42Å; F221-L285 HydrophobicContact CE2-CD2 4.35Å; F221-L285 HydrophobicContact CZ-CD1 4.48Å
222R94.4Very high93.1Very high95 Ų9548.4 Ų48.436%0.35822%0.224SC..EExtended strand (participates in β ladder)trans-137.4105.2-173.3-64.2-176-68.5176.6-5.8110.9S218 L219 G248 H249 Q250S218-R222 PolarHBondContact OG-NH1 3.42Å; L219-R222 HydrophobicContact CB-CG 4.17Å; R222-G248 PolarHBondContact N-O 3.15Å; R222-H249 PolarHBondContact NE-CE1 2.95Å; R222-H249 PolarHBondContact NE-ND1 3.41Å; R222-H249 VanDerWaalsContact NE-ND1 3.11Å; R222-H249 PolarHBondContact NH2-CD2 2.82Å; R222-H249 PolarHBondContact NH2-CE1 3.13Å; R222-H249 VanDerWaalsContact NH2-CE1 3.27Å; R222-H249 PolarHBondContact NH2-NE2 3.01Å; R222-H249 VanDerWaalsContact NH2-NE2 3.11Å; R222-H249 WeakPolarHBondContact O-CA 3.33Å; R222-Q250 PolarHBondContact O-N 3.06Å
223P94.3Very high92.9Very high6 Ų649.5 Ų49.54%0.03923%0.23CC..  trans-70.8162.2165.832.9-36.1000110.3G226 N230 V233 M234 I237P223-G226 PolarHBondContact O-N 2.85Å; P223-N230 HydrophobicContact CB-CB 4.04Å; P223-N230 HydrophobicContact CG-CB 4.14Å; P223-V233 HydrophobicContact CB-CB 3.99Å; P223-V233 HydrophobicContact CB-CG1 3.76Å; P223-M234 HydrophobicContact CG-CB 4.17Å; P223-I237 HydrophobicContact CB-CD1 4.02Å
224F90.4Very high92.7Very high66 Ų6648.7 Ų48.729%0.28923%0.227SC..THydrogen-bonded Turntrans-60.5140.9172.4-174.5-105.5000109.6G226 Q250 K251 S252 E253F224-G226 PolarHBondContact O-N 2.68Å; F224-G226 VanDerWaalsContact O-N 3.14Å; F224-Q250 HydrophobicContact CB-CB 4.47Å; F224-Q250 HydrophobicContact CB-CG 4.14Å; F224-Q250 VanDerWaalsContact N-OE1 3.09Å; F224-K251 VanDerWaalsContact CD2-O 3.27Å; F224-K251 WeakPolarHBondContact CD2-O 3.43Å; F224-K251 WeakPolarHBondContact CE2-O 3.42Å; F224-S252 VanDerWaalsContact CD2-CA 3.46Å; F224-S252 VanDerWaalsContact CG-C 3.42Å; F224-E253 VanDerWaalsContact CD1-CA 3.44Å; F224-E253 HydrophobicContact CD1-CB 3.66Å; F224-E253 HydrophobicContact CD1-CG 4.24Å; F224-E253 VanDerWaalsContact CD1-N 3.27Å; F224-E253 HydrophobicContact CE1-CB 3.71Å; F224-E253 HydrophobicContact CE1-CG 4.45Å
225E84.8Confident92.5Very high121 Ų12150.6 Ų50.657%0.56523%0.234SC*.THydrogen-bonded Turntrans65-2.6-170.3-44.2-161.3144.700117.1R229E225-R229 HydrophobicContact CB-CB 4.38Å
226G87.1Confident92.2Very high20 Ų2055.1 Ų55.121%0.20625%0.254CS..  trans99158.9170.200000115.5P223 F224 R228 R229 N230P223-G226 PolarHBondContact O-N 2.85Å; F224-G226 PolarHBondContact O-N 2.68Å; F224-G226 VanDerWaalsContact O-N 3.14Å; G226-R228 VanDerWaalsContact C-N 3.33Å; G226-R228 PolarHBondContact O-N 3.33Å; G226-R229 PolarHBondContact O-N 2.78Å; G226-R229 VanDerWaalsContact O-N 3.16Å; G226-N230 PolarHBondContact O-N 2.82Å
227P86.8Confident92.1Very high18 Ų1855 Ų5512%0.11725%0.253CS..THydrogen-bonded Turntrans-62.8-33.2-164.723.4-34.2000114.1E178 L219 M234E178-P227 HydrophobicContact CG-CB 4.18Å; E178-P227 HydrophobicContact CG-CG 3.61Å; L219-P227 HydrophobicContact CD1-CG 4.25Å; P227-M234 HydrophobicContact CB-CE 4.43Å; P227-M234 HydrophobicContact CB-CG 4.09Å; P227-M234 HydrophobicContact CB-SD 3.88Å
228R85.8Confident92.1Very high153 Ų15354.2 Ų54.258%0.57725%0.245SC*.THydrogen-bonded Turntrans-76.6-28-179.8-60-168.9-174.8179.9-0.2113.9E178 G226 K231E178-R228 IonicContact OE1-CZ 2.71Å; E178-R228 IonicContact OE1-NE 3.66Å; E178-R228 PolarHBondContact OE1-NE 3.15Å; E178-R228 IonicContact OE1-NH2 2.91Å; E178-R228 PolarHBondContact OE1-NH2 3.04Å; E178-R228 IonicContact OE2-NE 3.95Å; E178-R228 IonicContact OE2-NH2 3.37Å; E178-R228 PolarHBondContact OE2-NH2 3.38Å; G226-R228 VanDerWaalsContact C-N 3.33Å; G226-R228 PolarHBondContact O-N 3.33Å; R228-K231 VanDerWaalsContact O-CE 3.31Å; R228-K231 WeakPolarHBondContact O-CE 3.39Å
229R87.6Confident92Very high195 Ų19554.9 Ų54.974%0.73625%0.247SC*.THydrogen-bonded Turntrans-83.8-35.1-178.9-70.5-170.4178.2-167.91.2111.6E225 G226E225-R229 HydrophobicContact CB-CB 4.38Å; G226-R229 PolarHBondContact O-N 2.78Å; G226-R229 VanDerWaalsContact O-N 3.16Å
230N90.8Very high91.9Very high40 Ų4059.1 Ų59.121%0.21427%0.266CS..  trans-120.272.4-175.9-162.7-16.8000111.1P223 G226 E232 V233 M234P223-N230 HydrophobicContact CB-CB 4.04Å; P223-N230 HydrophobicContact CG-CB 4.14Å; G226-N230 PolarHBondContact O-N 2.82Å; N230-E232 PolarHBondContact O-N 2.75Å; N230-V233 WeakPolarHBondContact ND2-CG2 3.42Å; N230-V233 VanDerWaalsContact OD1-CB 3.27Å; N230-V233 WeakPolarHBondContact OD1-CB 3.37Å; N230-V233 WeakPolarHBondContact OD1-CG2 3.22Å; N230-V233 PolarHBondContact OD1-N 2.99Å; N230-M234 WeakPolarHBondContact O-CB 3.47Å; N230-M234 PolarHBondContact O-N 3.34Å
231K92.1Very high91.8Very high58 Ų5859.5 Ų59.525%0.25227%0.268SS..Hα-helixtrans-69.9-33.8-169.3-68178.2165.2-154.90112.4E177 Y185 V189 L190 R228 Y235E177-K231 IonicContact OE1-NZ 3.47Å; E177-K231 PolarHBondContact OE1-NZ 3.37Å; E177-K231 WeakPolarHBondContact OE2-CE 3.3Å; E177-K231 IonicContact OE2-NZ 2.77Å; Y185-K231 WeakPolarHBondContact OH-CA 3.47Å; Y185-K231 PolarHBondContact OH-O 2.93Å; V189-K231 HydrophobicContact CG1-CB 4.36Å; V189-K231 HydrophobicContact CG1-CD 3.63Å; V189-K231 HydrophobicContact CG1-CG 4.09Å; L190-K231 HydrophobicContact CD2-CB 4.05Å; R228-K231 VanDerWaalsContact O-CE 3.31Å; R228-K231 WeakPolarHBondContact O-CE 3.39Å; K231-Y235 WeakPolarHBondContact O-CB 3.49Å; K231-Y235 PolarHBondContact O-N 3.3Å
232E91.3Very high91.8Very high129 Ų12962.2 Ų62.260%0.60329%0.286SS*.Hα-helixtrans-70.2-45.6179-67.169.8-157.300111N230 M234 Y235 K236N230-E232 PolarHBondContact O-N 2.75Å; E232-M234 VanDerWaalsContact C-N 3.35Å; E232-Y235 PolarHBondContact O-N 3.44Å; E232-K236 WeakPolarHBondContact O-CB 3.47Å; E232-K236 PolarHBondContact O-N 2.83Å
233V93.1Very high91.9Very high26 Ų2660.9 Ų60.916%0.15829%0.292CS..Hα-helixtrans-69.5-36.1175.2179.60000110.7P223 N230 Y235 K236 I237P223-V233 HydrophobicContact CB-CB 3.99Å; P223-V233 HydrophobicContact CB-CG1 3.76Å; N230-V233 WeakPolarHBondContact ND2-CG2 3.42Å; N230-V233 VanDerWaalsContact OD1-CB 3.27Å; N230-V233 WeakPolarHBondContact OD1-CB 3.37Å; N230-V233 WeakPolarHBondContact OD1-CG2 3.22Å; N230-V233 PolarHBondContact OD1-N 2.99Å; V233-Y235 VanDerWaalsContact C-N 3.34Å; V233-Y235 PolarHBondContact O-N 2.92Å; V233-K236 WeakPolarHBondContact O-CB 3.36Å; V233-K236 PolarHBondContact O-N 3.39Å; V233-I237 HydrophobicContact CG1-CD1 3.99Å; V233-I237 HydrophobicContact CG1-CG1 4.27Å; V233-I237 VanDerWaalsContact O-CG1 3.27Å; V233-I237 WeakPolarHBondContact O-CG1 3.48Å; V233-I237 PolarHBondContact O-N 3.28Å
234M94.7Very high91.9Very high5 Ų562.2 Ų62.23%0.02531%0.306CS..Hα-helixtrans-56.7-49.3172-178.359.3-174.400111.1Y185 F221 P223 P227 N230 E232 K236 I237 I238Y185-M234 HydrophobicContact CE2-CG 4.06Å; F221-M234 HydrophobicContact CB-CE 3.93Å; F221-M234 HydrophobicContact CB-SD 4.12Å; P223-M234 HydrophobicContact CG-CB 4.17Å; P227-M234 HydrophobicContact CB-CE 4.43Å; P227-M234 HydrophobicContact CB-CG 4.09Å; P227-M234 HydrophobicContact CB-SD 3.88Å; N230-M234 WeakPolarHBondContact O-CB 3.47Å; N230-M234 PolarHBondContact O-N 3.34Å; E232-M234 VanDerWaalsContact C-N 3.35Å; M234-K236 VanDerWaalsContact C-N 3.35Å; M234-K236 PolarHBondContact O-N 2.98Å; M234-I237 PolarHBondContact O-N 3.37Å; M234-I238 HydrophobicContact CE-CG2 3.65Å; M234-I238 WeakPolarHBondContact O-CG1 3.43Å; M234-I238 PolarHBondContact O-N 2.92Å; M234-I238 HydrophobicContact SD-CG2 4.28Å
235Y93.9Very high92.2Very high39 Ų3959.5 Ų59.515%0.15330%0.295CS..Hα-helixtrans-58.4-47.3176.5-176.9-118.8000111.6Y185 E186 L190 K231 E232 V233 I237 I238 T239Y185-Y235 AromaticContact CD1-CD2 3.97Å; Y185-Y235 HydrophobicContact CD1-CD2 3.97Å; Y185-Y235 HydrophobicContact CD1-CG 4.47Å; E186-Y235 HydrophobicContact CB-CD2 4.27Å; E186-Y235 HydrophobicContact CB-CE2 3.56Å; E186-Y235 VanDerWaalsContact CD-CZ 3.43Å; E186-Y235 HydrophobicContact CG-CE1 4.38Å; E186-Y235 HydrophobicContact CG-CE2 4.17Å; E186-Y235 PolarHBondContact OE1-OH 2.7Å; E186-Y235 VanDerWaalsContact OE1-OH 3.12Å; E186-Y235 PolarHBondContact OE2-OH 3.06Å; L190-Y235 HydrophobicContact CD1-CD1 3.6Å; L190-Y235 HydrophobicContact CD1-CD2 4.25Å; L190-Y235 HydrophobicContact CD1-CE1 4.25Å; L190-Y235 HydrophobicContact CD1-CG 3.6Å; K231-Y235 WeakPolarHBondContact O-CB 3.49Å; K231-Y235 PolarHBondContact O-N 3.3Å; E232-Y235 PolarHBondContact O-N 3.44Å; V233-Y235 VanDerWaalsContact C-N 3.34Å; V233-Y235 PolarHBondContact O-N 2.92Å; Y235-I237 VanDerWaalsContact C-N 3.31Å; Y235-I237 PolarHBondContact O-N 3.45Å; Y235-I238 HydrophobicContact CD2-CD1 4.5Å; Y235-I238 HydrophobicContact CD2-CG1 4.45Å; Y235-I238 VanDerWaalsContact O-CG1 3.3Å; Y235-I238 WeakPolarHBondContact O-CG1 3.47Å; Y235-I238 PolarHBondContact O-N 3.08Å; Y235-T239 HydrophobicContact CD2-CG2 3.86Å; Y235-T239 HydrophobicContact CE1-CG2 4.17Å; Y235-T239 HydrophobicContact CE2-CG2 3.3Å; Y235-T239 HydrophobicContact CG-CG2 4.45Å; Y235-T239 VanDerWaalsContact CZ-CG2 3.5Å; Y235-T239 PolarHBondContact O-N 3.17Å; Y235-T239 PolarHBondContact O-OG1 2.86Å
236K93.6Very high92.9Very high96 Ų9653.8 Ų53.842%0.41727%0.268SS..Hα-helixtrans-54.6-45.8175.1-172.1-177.6-178.4177.10112.4E232 V233 M234 T239 E240E232-K236 WeakPolarHBondContact O-CB 3.47Å; E232-K236 PolarHBondContact O-N 2.83Å; V233-K236 WeakPolarHBondContact O-CB 3.36Å; V233-K236 PolarHBondContact O-N 3.39Å; M234-K236 VanDerWaalsContact C-N 3.35Å; M234-K236 PolarHBondContact O-N 2.98Å; K236-T239 PolarHBondContact O-OG1 2.98Å; K236-E240 WeakPolarHBondContact CE-OE2 3.35Å; K236-E240 VanDerWaalsContact CG-CD 3.45Å; K236-E240 HydrophobicContact CG-CG 4.16Å; K236-E240 WeakPolarHBondContact CG-OE2 3.47Å; K236-E240 IonicContact NZ-OE2 3.08Å; K236-E240 VanDerWaalsContact O-CB 3.28Å; K236-E240 WeakPolarHBondContact O-CB 3.43Å; K236-E240 PolarHBondContact O-N 3.45Å
237I95.1Very high93.4Very high0 Ų053 Ų530%026%0.26CS..Hα-helixtrans-60.6-50179-69.5165.2000109.9F221 P223 V233 M234 Y235 T239 K241 I257 W259F221-I237 HydrophobicContact CB-CG2 3.74Å; F221-I237 HydrophobicContact CD1-CG2 3.56Å; F221-I237 HydrophobicContact CG-CG2 3.97Å; P223-I237 HydrophobicContact CB-CD1 4.02Å; V233-I237 HydrophobicContact CG1-CD1 3.99Å; V233-I237 HydrophobicContact CG1-CG1 4.27Å; V233-I237 VanDerWaalsContact O-CG1 3.27Å; V233-I237 WeakPolarHBondContact O-CG1 3.48Å; V233-I237 PolarHBondContact O-N 3.28Å; M234-I237 PolarHBondContact O-N 3.37Å; Y235-I237 VanDerWaalsContact C-N 3.31Å; Y235-I237 PolarHBondContact O-N 3.45Å; I237-T239 VanDerWaalsContact C-N 3.31Å; I237-T239 PolarHBondContact O-N 3.37Å; I237-K241 WeakPolarHBondContact O-CB 3.35Å; I237-K241 PolarHBondContact O-N 3.3Å; I237-I257 HydrophobicContact CD1-CG1 4.45Å; I237-I257 HydrophobicContact CG1-CD1 3.54Å; I237-I257 HydrophobicContact CG1-CG1 3.9Å; I237-I257 HydrophobicContact CG1-CG2 4.2Å; I237-W259 HydrophobicContact CB-CH2 4.3Å; I237-W259 HydrophobicContact CG2-CH2 3.81Å; I237-W259 HydrophobicContact CG2-CZ3 3.85Å; I237-W259 WeakPolarHBondContact O-CH2 3.46Å
238I94.8Very high93.9Very high1 Ų152.1 Ų52.11%0.00525%0.254CS..Hα-helixtrans-75.4-19.8-17365.2-176.9000113.6P182 Y185 W205 F221 M234 Y235P182-I238 HydrophobicContact CB-CB 4.44Å; P182-I238 HydrophobicContact CB-CD1 4.12Å; P182-I238 HydrophobicContact CB-CG1 3.92Å; P182-I238 HydrophobicContact CG-CB 4.01Å; P182-I238 HydrophobicContact CG-CD1 4.32Å; P182-I238 HydrophobicContact CG-CG1 4.03Å; P182-I238 WeakPolarHBondContact CG-O 3.49Å; Y185-I238 HydrophobicContact CD1-CD1 4.25Å; Y185-I238 HydrophobicContact CD2-CD1 4.26Å; Y185-I238 HydrophobicContact CG-CD1 3.89Å; W205-I238 HydrophobicContact CH2-CB 4.11Å; W205-I238 HydrophobicContact CZ2-CB 3.87Å; W205-I238 HydrophobicContact CZ2-CG2 3.98Å; F221-I238 HydrophobicContact CB-CG2 3.92Å; F221-I238 HydrophobicContact CD2-CG2 3.73Å; F221-I238 HydrophobicContact CE2-CG2 4.42Å; F221-I238 HydrophobicContact CG-CG2 3.81Å; M234-I238 HydrophobicContact CE-CG2 3.65Å; M234-I238 WeakPolarHBondContact O-CG1 3.43Å; M234-I238 PolarHBondContact O-N 2.92Å; M234-I238 HydrophobicContact SD-CG2 4.28Å; Y235-I238 HydrophobicContact CD2-CD1 4.5Å; Y235-I238 HydrophobicContact CD2-CG1 4.45Å; Y235-I238 VanDerWaalsContact O-CG1 3.3Å; Y235-I238 WeakPolarHBondContact O-CG1 3.47Å; Y235-I238 PolarHBondContact O-N 3.08Å
239T92.3Very high94.3Very high49 Ų4946.5 Ų46.530%0.30123%0.234SC..Hα-helixtrans-95-38.5176.555.90000114.7P182 Y235 K236 I237 K241P182-T239 HydrophobicContact CB-CG2 3.82Å; Y235-T239 HydrophobicContact CD2-CG2 3.86Å; Y235-T239 HydrophobicContact CE1-CG2 4.17Å; Y235-T239 HydrophobicContact CE2-CG2 3.3Å; Y235-T239 HydrophobicContact CG-CG2 4.45Å; Y235-T239 VanDerWaalsContact CZ-CG2 3.5Å; Y235-T239 PolarHBondContact O-N 3.17Å; Y235-T239 PolarHBondContact O-OG1 2.86Å; K236-T239 PolarHBondContact O-OG1 2.98Å; I237-T239 VanDerWaalsContact C-N 3.31Å; I237-T239 PolarHBondContact O-N 3.37Å; T239-K241 VanDerWaalsContact C-N 3.34Å
240E93.6Very high94.7Very high119 Ų11938.1 Ų38.156%0.55620%0.203SC*.Hα-helixtrans-922.4-176.2-60.7-178.8-172.900113K236 P242K236-E240 WeakPolarHBondContact CE-OE2 3.35Å; K236-E240 VanDerWaalsContact CG-CD 3.45Å; K236-E240 HydrophobicContact CG-CG 4.16Å; K236-E240 WeakPolarHBondContact CG-OE2 3.47Å; K236-E240 IonicContact NZ-OE2 3.08Å; K236-E240 VanDerWaalsContact O-CB 3.28Å; K236-E240 WeakPolarHBondContact O-CB 3.43Å; K236-E240 PolarHBondContact O-N 3.45Å; E240-P242 WeakPolarHBondContact O-CD 3.2Å
241K95.3Very high94.6Very high10 Ų1043 Ų434%0.04322%0.223CC..PPolyproline II helixtrans-48.3123172.1173.1-164.468.276.20111.5F221 I237 T239 T245 W259 L285 E286F221-K241 HydrophobicContact CE1-CD 3.92Å; F221-K241 HydrophobicContact CE1-CG 4.35Å; F221-K241 HydrophobicContact CZ-CD 3.77Å; I237-K241 WeakPolarHBondContact O-CB 3.35Å; I237-K241 PolarHBondContact O-N 3.3Å; T239-K241 VanDerWaalsContact C-N 3.34Å; K241-T245 WeakPolarHBondContact CG-OG1 3.48Å; K241-W259 VanDerWaalsContact CA-CH2 3.49Å; K241-W259 HydrophobicContact CB-CH2 3.97Å; K241-W259 HydrophobicContact CB-CZ3 3.75Å; K241-W259 HydrophobicContact CG-CE3 4.45Å; K241-W259 HydrophobicContact CG-CZ3 4.02Å; K241-L285 WeakPolarHBondContact CD-O 3.4Å; K241-L285 WeakPolarHBondContact CE-O 3.31Å; K241-L285 PolarHBondContact NZ-O 3.16Å; K241-E286 IonicContact NZ-OE1 3.18Å; K241-E286 PolarHBondContact NZ-OE1 3.18Å; K241-E286 IonicContact NZ-OE2 2.65Å
242P96.2Very high94.6Very high60 Ų6043.2 Ų43.239%0.3923%0.232SC..PPolyproline II helixtrans-62.8143.1171.8-20.331.6000112.2E240 T245 W259E240-P242 WeakPolarHBondContact O-CD 3.2Å; P242-T245 HydrophobicContact CB-CG2 3.96Å; P242-T245 HydrophobicContact CG-CG2 4.25Å; P242-T245 WeakPolarHBondContact O-CB 3.33Å; P242-T245 PolarHBondContact O-N 2.97Å; P242-T245 PolarHBondContact O-OG1 3.16Å; P242-W259 HydrophobicContact CG-CD2 4.42Å; P242-W259 HydrophobicContact CG-CG 4.3Å
243S95.8Very high94.6Very high68 Ų6843.6 Ų43.648%0.47623%0.233SC..THydrogen-bonded Turntrans-55140.5173.5-67.70000111.5T245 E286S243-T245 VanDerWaalsContact C-N 3.3Å; S243-T245 PolarHBondContact O-N 2.74Å; S243-E286 WeakPolarHBondContact CA-OE2 3.41Å; S243-E286 WeakPolarHBondContact CB-OE2 3.34Å; S243-E286 PolarHBondContact OG-OE2 3.31Å
244G95.6Very high94.4Very high33 Ų3348.9 Ų48.934%0.3426%0.261SS..THydrogen-bonded Turntrans86.7-14.4-17700000115.3
245T97Very high94.3Very high10 Ų1049.6 Ų49.66%0.06127%0.27CS..  trans-81.4138.7177.6640000111.4K241 P242 S243 W259 S260 T261K241-T245 WeakPolarHBondContact CG-OG1 3.48Å; P242-T245 HydrophobicContact CB-CG2 3.96Å; P242-T245 HydrophobicContact CG-CG2 4.25Å; P242-T245 WeakPolarHBondContact O-CB 3.33Å; P242-T245 PolarHBondContact O-N 2.97Å; P242-T245 PolarHBondContact O-OG1 3.16Å; S243-T245 VanDerWaalsContact C-N 3.3Å; S243-T245 PolarHBondContact O-N 2.74Å; T245-W259 HydrophobicContact CG2-CB 4.01Å; T245-S260 WeakPolarHBondContact CA-O 3.4Å; T245-T261 HydrophobicContact CG2-CG2 4Å
246I97.9Very high94.3Very high0 Ų056.9 Ų56.90%030%0.302CS..  trans-109.2-13.5-177.162.7169.6000112.7Y212 P220 S260 M263 T278 L281 A282Y212-I246 HydrophobicContact CD2-CD1 4.37Å; Y212-I246 HydrophobicContact CE2-CB 4.5Å; Y212-I246 HydrophobicContact CE2-CD1 4.02Å; Y212-I246 HydrophobicContact CE2-CG1 4.12Å; P220-I246 VanDerWaalsContact CB-O 3.25Å; P220-I246 WeakPolarHBondContact CB-O 3.3Å; I246-S260 PolarHBondContact N-O 3.38Å; I246-M263 HydrophobicContact CD1-CE 4.47Å; I246-M263 HydrophobicContact CD1-CG 4.49Å; I246-M263 HydrophobicContact CD1-SD 3.98Å; I246-T278 HydrophobicContact CD1-CG2 4.28Å; I246-T278 HydrophobicContact CG2-CG2 4.44Å; I246-L281 HydrophobicContact CB-CB 4.49Å; I246-L281 HydrophobicContact CG2-CB 3.88Å; I246-A282 HydrophobicContact CG2-CB 3.86Å
247S97.9Very high94.4Very high4 Ų453.8 Ų53.83%0.02829%0.29CS..EExtended strand (participates in β ladder)trans-149.7154.117662.80000113.1Y212 P220 W259 S260Y212-S247 VanDerWaalsContact OH-CB 3.25Å; Y212-S247 WeakPolarHBondContact OH-CB 3.37Å; Y212-S247 PolarHBondContact OH-OG 2.96Å; P220-S247 CarbonylContact O-C 3.58Å; P220-S247 VanDerWaalsContact O-CA 3.23Å; P220-S247 WeakPolarHBondContact O-CA 3.31Å; P220-S247 VanDerWaalsContact O-CB 3.22Å; P220-S247 WeakPolarHBondContact O-CB 3.26Å; S247-W259 WeakPolarHBondContact O-CA 3.48Å; S247-S260 PolarHBondContact N-O 2.86Å; S247-S260 PolarHBondContact O-N 3.23Å; S247-S260 WeakPolarHBondContact OG-CB 3.38Å
248G97.1Very high94.5Very high0 Ų058.3 Ų58.30%031%0.311CS..EExtended strand (participates in β ladder)trans-145.4118.4179.700000110.6P220 F221 R222 E258P220-G248 PolarHBondContact O-N 3.37Å; F221-G248 WeakPolarHBondContact CA-O 3.42Å; R222-G248 PolarHBondContact N-O 3.15Å; G248-E258 WeakPolarHBondContact CA-O 3.45Å
249H94.8Very high94.6Very high35 Ų3562.2 Ų62.216%0.16233%0.326CS..EExtended strand (participates in β ladder)trans-128.6132.8-175.2-58.8-42.9000112.2L219 P220 R222 E258L219-H249 PolarHBondContact O-CE1 2.99Å; P220-H249 PolarHBondContact O-CE1 3.28Å; P220-H249 PolarHBondContact O-ND1 3.05Å; R222-H249 PolarHBondContact NE-CE1 2.95Å; R222-H249 PolarHBondContact NE-ND1 3.41Å; R222-H249 VanDerWaalsContact NE-ND1 3.11Å; R222-H249 PolarHBondContact NH2-CD2 2.82Å; R222-H249 PolarHBondContact NH2-CE1 3.13Å; R222-H249 VanDerWaalsContact NH2-CE1 3.27Å; R222-H249 PolarHBondContact NH2-NE2 3.01Å; R222-H249 VanDerWaalsContact NH2-NE2 3.11Å; R222-H249 WeakPolarHBondContact O-CA 3.33Å; H249-E258 PolarHBondContact N-O 3.45Å; H249-E258 PolarHBondContact O-N 3.48Å
250Q95.3Very high94.9Very high19 Ų1961.9 Ų61.99%0.08933%0.325CS..EExtended strand (participates in β ladder)trans-104.6112.5172.5-173.1-174.346.100109.6R222 F224 S252 G255R222-Q250 PolarHBondContact O-N 3.06Å; F224-Q250 HydrophobicContact CB-CB 4.47Å; F224-Q250 HydrophobicContact CB-CG 4.14Å; F224-Q250 VanDerWaalsContact N-OE1 3.09Å; Q250-S252 WeakPolarHBondContact CG-O 3.49Å; Q250-G255 PolarHBondContact NE2-O 3.09Å
251K90.1Very high95.1Very high142 Ų14259.8 Ų59.862%0.61732%0.32SS*.  trans-79.9-26.3-173.2-72.9-175.1178.7150.60115.1F224 E258F224-K251 VanDerWaalsContact CD2-O 3.27Å; F224-K251 WeakPolarHBondContact CD2-O 3.43Å; F224-K251 WeakPolarHBondContact CE2-O 3.42Å; K251-E258 VanDerWaalsContact CD-OE1 3.29Å; K251-E258 WeakPolarHBondContact CD-OE1 3.38Å; K251-E258 VanDerWaalsContact CE-CD 3.47Å; K251-E258 VanDerWaalsContact CE-OE1 3.3Å; K251-E258 WeakPolarHBondContact CE-OE1 3.32Å; K251-E258 WeakPolarHBondContact CE-OE2 3.49Å; K251-E258 IonicContact NZ-OE1 2.63Å; K251-E258 PolarHBondContact NZ-OE1 2.91Å; K251-E258 IonicContact NZ-OE2 3.59Å; K251-E258 PolarHBondContact NZ-OE2 3.24Å
252S92.1Very high95.1Very high63 Ų6365.2 Ų65.244%0.44135%0.346SS..SBendtrans-137157.9-177.165.20000110.7F224 Q250 N254 G255F224-S252 VanDerWaalsContact CD2-CA 3.46Å; F224-S252 VanDerWaalsContact CG-C 3.42Å; Q250-S252 WeakPolarHBondContact CG-O 3.49Å; S252-N254 PolarHBondContact O-N 3.15Å; S252-G255 PolarHBondContact O-N 3.33Å
253E91.2Very high95.1Very high136 Ų13662.7 Ų62.764%0.63633%0.329SS*.THydrogen-bonded Turntrans-53.5129.2173.9-163.4-179.6-176.600110.4F224 G255F224-E253 VanDerWaalsContact CD1-CA 3.44Å; F224-E253 HydrophobicContact CD1-CB 3.66Å; F224-E253 HydrophobicContact CD1-CG 4.24Å; F224-E253 VanDerWaalsContact CD1-N 3.27Å; F224-E253 HydrophobicContact CE1-CB 3.71Å; F224-E253 HydrophobicContact CE1-CG 4.45Å; E253-G255 PolarHBondContact O-N 3.45Å
254N87.9Confident95.1Very high137 Ų13761.5 Ų61.573%0.73332%0.32SS*.THydrogen-bonded Turntrans54.715-176.3-57.1-46.9000115.4S252S252-N254 PolarHBondContact O-N 3.15Å
255G92Very high94.9Very high21 Ų2163.1 Ų63.122%0.21632%0.323CS..PPolyproline II helixtrans-70.5168.1176.200000112.7Q250 S252 E253Q250-G255 PolarHBondContact NE2-O 3.09Å; S252-G255 PolarHBondContact O-N 3.33Å; E253-G255 PolarHBondContact O-N 3.45Å
256K95Very high94.6Very high191 Ų19163.5 Ų63.583%0.8333%0.326SS*.PPolyproline II helixtrans-66.1149.7171.8-66.7-176.9179-179.20110.5
257I96.2Very high94.4Very high32 Ų3264 Ų6416%0.16433%0.33CS..EExtended strand (participates in β ladder)trans-81.2123.4170.7-57.8157.3000107.5I237 W259I237-I257 HydrophobicContact CD1-CG1 4.45Å; I237-I257 HydrophobicContact CG1-CD1 3.54Å; I237-I257 HydrophobicContact CG1-CG1 3.9Å; I237-I257 HydrophobicContact CG1-CG2 4.2Å; I257-W259 HydrophobicContact CB-CZ2 4.01Å; I257-W259 HydrophobicContact CD1-CH2 4.46Å; I257-W259 HydrophobicContact CD1-CZ2 3.95Å; I257-W259 HydrophobicContact CG2-CD2 3.86Å; I257-W259 HydrophobicContact CG2-CE3 4.13Å; I257-W259 HydrophobicContact CG2-CH2 3.83Å; I257-W259 HydrophobicContact CG2-CZ2 3.55Å; I257-W259 HydrophobicContact CG2-CZ3 4.11Å
258E96.5Very high94.1Very high94 Ų9466.5 Ų66.544%0.43935%0.347SS..EExtended strand (participates in β ladder)trans-88.2113.8172.4-64.5-178.4-177.900108.9G248 H249 K251G248-E258 WeakPolarHBondContact CA-O 3.45Å; H249-E258 PolarHBondContact N-O 3.45Å; H249-E258 PolarHBondContact O-N 3.48Å; K251-E258 VanDerWaalsContact CD-OE1 3.29Å; K251-E258 WeakPolarHBondContact CD-OE1 3.38Å; K251-E258 VanDerWaalsContact CE-CD 3.47Å; K251-E258 VanDerWaalsContact CE-OE1 3.3Å; K251-E258 WeakPolarHBondContact CE-OE1 3.32Å; K251-E258 WeakPolarHBondContact CE-OE2 3.49Å; K251-E258 IonicContact NZ-OE1 2.63Å; K251-E258 PolarHBondContact NZ-OE1 2.91Å; K251-E258 IonicContact NZ-OE2 3.59Å; K251-E258 PolarHBondContact NZ-OE2 3.24Å
259W97.4Very high94.1Very high84 Ų8466.7 Ų66.732%0.31835%0.348SS..EExtended strand (participates in β ladder)trans-93.8141.5178.2-56.3105.9000110.7I237 K241 P242 T245 S247 I257I237-W259 HydrophobicContact CB-CH2 4.3Å; I237-W259 HydrophobicContact CG2-CH2 3.81Å; I237-W259 HydrophobicContact CG2-CZ3 3.85Å; I237-W259 WeakPolarHBondContact O-CH2 3.46Å; K241-W259 VanDerWaalsContact CA-CH2 3.49Å; K241-W259 HydrophobicContact CB-CH2 3.97Å; K241-W259 HydrophobicContact CB-CZ3 3.75Å; K241-W259 HydrophobicContact CG-CE3 4.45Å; K241-W259 HydrophobicContact CG-CZ3 4.02Å; P242-W259 HydrophobicContact CG-CD2 4.42Å; P242-W259 HydrophobicContact CG-CG 4.3Å; T245-W259 HydrophobicContact CG2-CB 4.01Å; S247-W259 WeakPolarHBondContact O-CA 3.48Å; I257-W259 HydrophobicContact CB-CZ2 4.01Å; I257-W259 HydrophobicContact CD1-CH2 4.46Å; I257-W259 HydrophobicContact CD1-CZ2 3.95Å; I257-W259 HydrophobicContact CG2-CD2 3.86Å; I257-W259 HydrophobicContact CG2-CE3 4.13Å; I257-W259 HydrophobicContact CG2-CH2 3.83Å; I257-W259 HydrophobicContact CG2-CZ2 3.55Å; I257-W259 HydrophobicContact CG2-CZ3 4.11Å
260S97.5Very high94.1Very high41 Ų4165.7 Ų65.729%0.28735%0.345SS..EExtended strand (participates in β ladder)trans-132140.8173.3-173.40000111.5T245 I246 S247 E262T245-S260 WeakPolarHBondContact CA-O 3.4Å; I246-S260 PolarHBondContact N-O 3.38Å; S247-S260 PolarHBondContact N-O 2.86Å; S247-S260 PolarHBondContact O-N 3.23Å; S247-S260 WeakPolarHBondContact OG-CB 3.38Å; S260-E262 PolarHBondContact OG-N 3.16Å; S260-E262 PolarHBondContact OG-O 3.2Å
261T97.6Very high94.1Very high75 Ų7570.2 Ų70.246%0.4636%0.364SS..SBendtrans-96.3-3.9167.857.50000111.7T245 T278T245-T261 HydrophobicContact CG2-CG2 4Å; T261-T278 WeakPolarHBondContact O-CG2 3.31Å
262E96.8Very high94.4Very high124 Ų12463.7 Ų63.758%0.57934%0.337SS*.SBendtrans-120.1155.1-176.2-63.1-171.3-172.800112.1S260S260-E262 PolarHBondContact OG-N 3.16Å; S260-E262 PolarHBondContact OG-O 3.2Å
263M96.4Very high94.7Very high7 Ų760.7 Ų60.73%0.03432%0.316CS..  trans-65.2145.5170.7-65.5-64-16900110.6Y212 A215 T216 I246 C267 Q274 L277 L281Y212-M263 HydrophobicContact CD2-SD 4.36Å; Y212-M263 HydrophobicContact CE2-SD 4.19Å; A215-M263 HydrophobicContact CB-CE 4.21Å; T216-M263 HydrophobicContact CG2-SD 3.94Å; I246-M263 HydrophobicContact CD1-CE 4.47Å; I246-M263 HydrophobicContact CD1-CG 4.49Å; I246-M263 HydrophobicContact CD1-SD 3.98Å; M263-C267 HydrophobicContact CB-CB 4.06Å; M263-Q274 HydrophobicContact CB-CG 4.28Å; M263-Q274 HydrophobicContact CG-CB 4.4Å; M263-Q274 HydrophobicContact CG-CG 3.98Å; M263-L277 HydrophobicContact CE-CD2 3.73Å; M263-L277 HydrophobicContact CE-CG 4.23Å; M263-L281 HydrophobicContact CE-CD1 3.36Å
264P94.8Very high95Very high44 Ų4454.9 Ų54.929%0.28629%0.289SS..  trans-62.1154.7176.227.8-34.9000111.4T216 S266 C267T216-P264 HydrophobicContact CG2-CG 3.92Å; P264-S266 PolarHBondContact O-N 2.88Å; P264-S266 VanDerWaalsContact O-N 3.17Å; P264-C267 HydrophobicContact CG-CB 4.26Å; P264-C267 WeakPolarHBondContact O-CB 3.42Å; P264-C267 PolarHBondContact O-N 3.39Å
265V92.3Very high95.4Very high66 Ų6651 Ų5140%0.427%0.272SS..THydrogen-bonded Turntrans-58.9-29.9178.4177.90000111.8C267 I393 E395V265-C267 PolarHBondContact O-N 3.07Å; V265-I393 HydrophobicContact CG1-CG2 3.9Å; V265-E395 HydrophobicContact CB-CG 4.07Å; V265-E395 HydrophobicContact CG1-CG 3.85Å
266S90.8Very high95.7Very high19 Ų1951.8 Ų51.813%0.13327%0.272CS..THydrogen-bonded Turntrans-73.3-7.9177.459.40000115P264 S268P264-S266 PolarHBondContact O-N 2.88Å; P264-S266 VanDerWaalsContact O-N 3.17Å; S266-S268 PolarHBondContact O-N 3.14Å
267C94Very high95.8Very high11 Ų1142.8 Ų42.87%0.07423%0.232CC..  trans-65.3127.8176.9-179.70000111.1A215 M263 P264 V265 L269A215-C267 PolarHBondContact O-SG 3.11Å; M263-C267 HydrophobicContact CB-CB 4.06Å; P264-C267 HydrophobicContact CG-CB 4.26Å; P264-C267 WeakPolarHBondContact O-CB 3.42Å; P264-C267 PolarHBondContact O-N 3.39Å; V265-C267 PolarHBondContact O-N 3.07Å; C267-L269 VanDerWaalsContact C-N 3.32Å; C267-L269 PolarHBondContact O-N 2.92Å
268S90.6Very high95.9Very high55 Ų5542.4 Ų42.439%0.38523%0.232SC..  trans-73.6-17-179.642.50000114.7L107 S266L107-S268 PolarHBondContact O-OG 2.88Å; S266-S268 PolarHBondContact O-N 3.14Å
269L96.6Very high96Very high5 Ų540.8 Ų40.83%0.02623%0.23CC..SBendtrans-69141.2-178.2-55.6-173.3000110.8E109 F112 A215 C267 L273 Q274 L277E109-L269 HydrophobicContact CB-CD2 4.05Å; E109-L269 HydrophobicContact CG-CD2 4.3Å; F112-L269 HydrophobicContact CB-CD2 3.89Å; F112-L269 HydrophobicContact CD1-CD1 4.06Å; F112-L269 HydrophobicContact CD1-CD2 4.18Å; F112-L269 HydrophobicContact CD2-CD1 4.45Å; F112-L269 HydrophobicContact CE1-CD1 4.14Å; F112-L269 HydrophobicContact CG-CD1 4.24Å; F112-L269 HydrophobicContact CG-CD2 3.96Å; F112-L269 HydrophobicContact CZ-CD1 4.38Å; A215-L269 HydrophobicContact CB-CD1 3.64Å; A215-L269 HydrophobicContact CB-CG 4.38Å; C267-L269 VanDerWaalsContact C-N 3.32Å; C267-L269 PolarHBondContact O-N 2.92Å; L269-L273 HydrophobicContact CD1-CD2 4.15Å; L269-L273 HydrophobicContact CD2-CD2 4.19Å; L269-Q274 HydrophobicContact CB-CG 4.04Å; L269-Q274 PolarHBondContact O-NE2 2.89Å; L269-L277 HydrophobicContact CD1-CD2 3.8Å
270S95.9Very high96.1Very high13 Ų1336.9 Ų36.99%0.09122%0.215CC..  trans-59.9147.8175.769.50000111.4E109 G272 L273 Q274 H323E109-S270 VanDerWaalsContact CD-OG 3.31Å; E109-S270 PolarHBondContact OE1-OG 3.29Å; E109-S270 WeakPolarHBondContact OE2-CA 3.48Å; E109-S270 WeakPolarHBondContact OE2-CB 3.43Å; E109-S270 PolarHBondContact OE2-N 2.8Å; E109-S270 PolarHBondContact OE2-OG 3.11Å; E109-S270 VanDerWaalsContact OE2-OG 3.05Å; S270-G272 PolarHBondContact O-N 2.9Å; S270-L273 PolarHBondContact O-N 3.27Å; S270-L273 PolarHBondContact OG-N 3.48Å; S270-Q274 WeakPolarHBondContact O-CG 3.46Å; S270-Q274 PolarHBondContact O-N 3.49Å; S270-H323 VanDerWaalsContact CB-CG 3.45Å; S270-H323 VanDerWaalsContact CB-ND1 3.28Å; S270-H323 WeakPolarHBondContact CB-ND1 3.48Å; S270-H323 WeakPolarHBondContact OG-CB 3.34Å
271K94.7Very high96.1Very high115 Ų11535 Ų3550%0.520%0.201SC..Hα-helixtrans-57-24.1171.6-68.1-67.6175.2-170.20112.6S275 R342K271-S275 PolarHBondContact O-N 3.18Å; K271-R342 PolarHBondContact O-NH1 3.19Å; K271-R342 PolarHBondContact O-NH2 3.37Å
272G95.8Very high96.2Very high5 Ų531.9 Ų31.95%0.05218%0.183CC..Hα-helixtrans-54.9-61.516900000112S270 S275 H323 R342S270-G272 PolarHBondContact O-N 2.9Å; G272-S275 PolarHBondContact O-OG 3.37Å; G272-S275 VanDerWaalsContact O-OG 3.04Å; G272-H323 WeakPolarHBondContact CA-O 3.48Å; G272-R342 PolarHBondContact O-NH2 2.95Å
273L97.9Very high96.2Very high0 Ų028.3 Ų28.30%017%0.168CC..Hα-helixtrans-70.3-39.4-179.7-175.458.3000112.5E109 F112 L113 L269 S270 S275 L276 L277 I305 Y325E109-L273 HydrophobicContact CG-CD2 3.74Å; F112-L273 HydrophobicContact CD1-CD2 3.95Å; F112-L273 HydrophobicContact CE1-CD2 4.31Å; L113-L273 HydrophobicContact CD2-CD1 4.03Å; L113-L273 HydrophobicContact CD2-CD2 4.07Å; L113-L273 HydrophobicContact CG-CD2 4.31Å; L269-L273 HydrophobicContact CD1-CD2 4.15Å; L269-L273 HydrophobicContact CD2-CD2 4.19Å; S270-L273 PolarHBondContact O-N 3.27Å; S270-L273 PolarHBondContact OG-N 3.48Å; L273-S275 VanDerWaalsContact C-N 3.26Å; L273-S275 PolarHBondContact O-N 3.35Å; L273-L276 PolarHBondContact O-N 3.47Å; L273-L277 WeakPolarHBondContact O-CB 3.42Å; L273-L277 PolarHBondContact O-N 2.92Å; L273-I305 HydrophobicContact CD1-CG2 3.77Å; L273-Y325 HydrophobicContact CB-CE2 3.79Å; L273-Y325 HydrophobicContact CD1-CE1 4.24Å
274Q97.8Very high96.2Very high14 Ų1428 Ų287%0.06517%0.167CC..Hα-helixtrans-54.7-41.4179.3-69.1-177.718.100111.8M263 L269 S270 L276 L277 T278M263-Q274 HydrophobicContact CB-CG 4.28Å; M263-Q274 HydrophobicContact CG-CB 4.4Å; M263-Q274 HydrophobicContact CG-CG 3.98Å; L269-Q274 HydrophobicContact CB-CG 4.04Å; L269-Q274 PolarHBondContact O-NE2 2.89Å; S270-Q274 WeakPolarHBondContact O-CG 3.46Å; S270-Q274 PolarHBondContact O-N 3.49Å; Q274-L276 PolarHBondContact O-N 3.03Å; Q274-L277 PolarHBondContact O-N 3.08Å; Q274-T278 VanDerWaalsContact O-CB 3.25Å; Q274-T278 WeakPolarHBondContact O-CB 3.21Å; Q274-T278 PolarHBondContact O-N 2.85Å; Q274-T278 PolarHBondContact O-OG1 3.49Å
275S96.4Very high96.3Very high54 Ų5425.9 Ų25.938%0.37815%0.153SC..Hα-helixtrans-69.8-21.7-179.673.80000114K271 G272 L273 P279 R342K271-S275 PolarHBondContact O-N 3.18Å; G272-S275 PolarHBondContact O-OG 3.37Å; G272-S275 VanDerWaalsContact O-OG 3.04Å; L273-S275 VanDerWaalsContact C-N 3.26Å; L273-S275 PolarHBondContact O-N 3.35Å; S275-P279 WeakPolarHBondContact O-CD 3.4Å; S275-P279 WeakPolarHBondContact O-CG 3.36Å; S275-R342 PolarHBondContact OG-NH2 3.5Å
276L98.1Very high96.4Very high39 Ų3923.3 Ų23.320%0.20414%0.137CC..Hα-helixtrans-87.6-40177.1-62.4176.2000110.5L273 Q274 P279 I305 Y325L273-L276 PolarHBondContact O-N 3.47Å; Q274-L276 PolarHBondContact O-N 3.03Å; L276-P279 WeakPolarHBondContact O-CD 3.47Å; L276-I305 HydrophobicContact CB-CD1 3.84Å; L276-I305 HydrophobicContact CB-CG1 3.9Å; L276-I305 HydrophobicContact CD1-CG1 4.42Å; L276-I305 HydrophobicContact CD1-CG2 4.49Å; L276-Y325 HydrophobicContact CD1-CD1 4.26Å; L276-Y325 HydrophobicContact CD1-CD2 4.47Å; L276-Y325 HydrophobicContact CD1-CG 3.89Å
277L98.5Very high96.3Very high1 Ų123.6 Ų23.61%0.00514%0.14CC..Hα-helixtrans-76.7-38.9-177.3-17964.7000113.2F112 A215 M263 L269 L273 Q274 V280 L281F112-L277 HydrophobicContact CE1-CD1 4.3Å; F112-L277 HydrophobicContact CE1-CD2 3.62Å; F112-L277 HydrophobicContact CE2-CD2 4.29Å; F112-L277 HydrophobicContact CZ-CD1 4.04Å; F112-L277 HydrophobicContact CZ-CD2 3.35Å; F112-L277 HydrophobicContact CZ-CG 4.35Å; A215-L277 HydrophobicContact CB-CD2 4.43Å; M263-L277 HydrophobicContact CE-CD2 3.73Å; M263-L277 HydrophobicContact CE-CG 4.23Å; L269-L277 HydrophobicContact CD1-CD2 3.8Å; L273-L277 WeakPolarHBondContact O-CB 3.42Å; L273-L277 PolarHBondContact O-N 2.92Å; Q274-L277 PolarHBondContact O-N 3.08Å; L277-V280 WeakPolarHBondContact O-CB 3.49Å; L277-V280 PolarHBondContact O-N 3.22Å; L277-V280 VanDerWaalsContact O-N 3.08Å; L277-L281 HydrophobicContact CD1-CG 4.26Å; L277-L281 HydrophobicContact CD2-CD1 4.33Å; L277-L281 HydrophobicContact CG-CD1 4.01Å; L277-L281 HydrophobicContact CG-CG 4.13Å; L277-L281 PolarHBondContact O-N 3.27Å
278T98.4Very high96Very high25 Ų2525.8 Ų25.815%0.15315%0.151CC..Hα-helixtrans-57.1-45.6-177.3-71.20000113I246 T261 Q274 V280 L281 A282I246-T278 HydrophobicContact CD1-CG2 4.28Å; I246-T278 HydrophobicContact CG2-CG2 4.44Å; T261-T278 WeakPolarHBondContact O-CG2 3.31Å; Q274-T278 VanDerWaalsContact O-CB 3.25Å; Q274-T278 WeakPolarHBondContact O-CB 3.21Å; Q274-T278 PolarHBondContact O-N 2.85Å; Q274-T278 PolarHBondContact O-OG1 3.49Å; T278-V280 VanDerWaalsContact C-N 3.32Å; T278-V280 PolarHBondContact O-N 3.38Å; T278-L281 PolarHBondContact O-N 3.41Å; T278-A282 WeakPolarHBondContact O-CB 3.32Å; T278-A282 PolarHBondContact O-N 3.26Å
279P98.4Very high95.6Very high60 Ų6026.5 Ų26.539%0.3915%0.148SC..Hα-helixtrans-57.6-41.7172.9-26.435.1000113.2S275 L276 A282 N283S275-P279 WeakPolarHBondContact O-CD 3.4Å; S275-P279 WeakPolarHBondContact O-CG 3.36Å; L276-P279 WeakPolarHBondContact O-CD 3.47Å; P279-A282 PolarHBondContact O-N 2.87Å; P279-N283 PolarHBondContact O-N 2.78Å; P279-N283 PolarHBondContact O-ND2 3.02Å
280V98.6Very high95.2Very high2 Ų235.1 Ų35.11%0.01219%0.188CC..Hα-helixtrans-59.5-51.9176.5179.70000110L277 T278 A282 N283 I284 W293 F298 E301 T302 I305L277-V280 WeakPolarHBondContact O-CB 3.49Å; L277-V280 PolarHBondContact O-N 3.22Å; L277-V280 VanDerWaalsContact O-N 3.08Å; T278-V280 VanDerWaalsContact C-N 3.32Å; T278-V280 PolarHBondContact O-N 3.38Å; V280-A282 PolarHBondContact O-N 2.89Å; V280-N283 PolarHBondContact O-N 3.38Å; V280-I284 HydrophobicContact CG1-CD1 4.22Å; V280-I284 WeakPolarHBondContact O-CG1 3.36Å; V280-I284 PolarHBondContact O-N 3.33Å; V280-I284 VanDerWaalsContact O-N 3.1Å; V280-W293 HydrophobicContact CB-CZ3 4.2Å; V280-W293 HydrophobicContact CG1-CZ3 4.23Å; V280-W293 HydrophobicContact CG2-CH2 4.33Å; V280-W293 HydrophobicContact CG2-CZ3 4.02Å; V280-F298 HydrophobicContact CG1-CD2 4.05Å; V280-F298 HydrophobicContact CG1-CE2 4.1Å; V280-E301 HydrophobicContact CG2-CB 4.32Å; V280-T302 HydrophobicContact CG1-CG2 3.98Å; V280-I305 HydrophobicContact CG2-CD1 4.01Å
281L98.5Very high95Very high0 Ų040.1 Ų40.10%021%0.208CC..Hα-helixtrans-59.3-44.9179.5-68.4178.3000112.4G208 F211 Y212 I246 M263 L277 T278 N283 I284 L285G208-L281 WeakPolarHBondContact O-CD2 3.32Å; F211-L281 HydrophobicContact CB-CD2 3.91Å; Y212-L281 HydrophobicContact CD2-CD1 4.27Å; I246-L281 HydrophobicContact CB-CB 4.49Å; I246-L281 HydrophobicContact CG2-CB 3.88Å; M263-L281 HydrophobicContact CE-CD1 3.36Å; L277-L281 HydrophobicContact CD1-CG 4.26Å; L277-L281 HydrophobicContact CD2-CD1 4.33Å; L277-L281 HydrophobicContact CG-CD1 4.01Å; L277-L281 HydrophobicContact CG-CG 4.13Å; L277-L281 PolarHBondContact O-N 3.27Å; T278-L281 PolarHBondContact O-N 3.41Å; L281-N283 PolarHBondContact O-N 2.96Å; L281-I284 PolarHBondContact O-N 2.64Å; L281-L285 HydrophobicContact CB-CD1 4.49Å; L281-L285 WeakPolarHBondContact O-CB 3.47Å; L281-L285 WeakPolarHBondContact O-CG 3.39Å; L281-L285 PolarHBondContact O-N 2.88Å
282A98Very high94.9Very high10 Ų1035.6 Ų35.68%0.08319%0.191CC..Hα-helixtrans-60.7-33-178.200000113.1I246 T278 P279 V280I246-A282 HydrophobicContact CG2-CB 3.86Å; T278-A282 WeakPolarHBondContact O-CB 3.32Å; T278-A282 PolarHBondContact O-N 3.26Å; P279-A282 PolarHBondContact O-N 2.87Å; V280-A282 PolarHBondContact O-N 2.89Å
283N97.8Very high94.8Very high50 Ų5036.5 Ų36.527%0.26719%0.193SC..Hα-helixtrans-91.4-24-177.4-72.7-77.7000114.1P279 V280 L281 W293P279-N283 PolarHBondContact O-N 2.78Å; P279-N283 PolarHBondContact O-ND2 3.02Å; V280-N283 PolarHBondContact O-N 3.38Å; L281-N283 PolarHBondContact O-N 2.96Å; N283-W293 HydrophobicContact CB-CB 4.42Å; N283-W293 VanDerWaalsContact CB-CD1 3.5Å; N283-W293 HydrophobicContact CB-CD2 3.4Å; N283-W293 VanDerWaalsContact CB-CD2 3.4Å; N283-W293 HydrophobicContact CB-CE3 4.07Å; N283-W293 HydrophobicContact CB-CG 3.55Å; N283-W293 HydrophobicContact CB-CH2 4.48Å; N283-W293 HydrophobicContact CB-CZ2 3.88Å; N283-W293 VanDerWaalsContact CB-NE1 3.32Å; N283-W293 VanDerWaalsContact ND2-CZ2 3.35Å; N283-W293 WeakPolarHBondContact ND2-CZ2 3.34Å; N283-W293 PolarHBondContact O-N 3.43Å; N283-W293 PolarHBondContact OD1-NE1 2.82Å
284I96.8Very high94.6Very high0 Ų038.3 Ų38.30%021%0.211CC..Hα-helixtrans-92.4-21.4173.970-177.1000113.1L204 I207 V280 L281 E286 W293 F298L204-I284 HydrophobicContact CB-CB 4.1Å; L204-I284 HydrophobicContact CB-CG2 4.3Å; I207-I284 HydrophobicContact CG2-CD1 4.49Å; V280-I284 HydrophobicContact CG1-CD1 4.22Å; V280-I284 WeakPolarHBondContact O-CG1 3.36Å; V280-I284 PolarHBondContact O-N 3.33Å; V280-I284 VanDerWaalsContact O-N 3.1Å; L281-I284 PolarHBondContact O-N 2.64Å; I284-E286 PolarHBondContact O-N 3.16Å; I284-W293 HydrophobicContact CG2-CB 4.42Å; I284-W293 HydrophobicContact CG2-CE3 4.39Å; I284-F298 HydrophobicContact CD1-CD2 4.3Å; I284-F298 HydrophobicContact CD1-CE2 3.99Å; I284-F298 HydrophobicContact CG2-CD2 3.86Å
285L96.6Very high94.4Very high0 Ų038.6 Ų38.60%021%0.212CC..SBendtrans-89.543.8165.9-63175.7000110.2W205 V209 F221 K241 L281W205-L285 HydrophobicContact CD2-CD2 4.12Å; W205-L285 HydrophobicContact CE3-CD2 4.32Å; W205-L285 HydrophobicContact CG-CD2 4.46Å; W205-L285 HydrophobicContact CZ3-CB 4.46Å; V209-L285 HydrophobicContact CG2-CD2 3.76Å; F221-L285 HydrophobicContact CE2-CD2 4.35Å; F221-L285 HydrophobicContact CZ-CD1 4.48Å; K241-L285 WeakPolarHBondContact CD-O 3.4Å; K241-L285 WeakPolarHBondContact CE-O 3.31Å; K241-L285 PolarHBondContact NZ-O 3.16Å; L281-L285 HydrophobicContact CB-CD1 4.49Å; L281-L285 WeakPolarHBondContact O-CB 3.47Å; L281-L285 WeakPolarHBondContact O-CG 3.39Å; L281-L285 PolarHBondContact O-N 2.88Å
286E94.7Very high94.3Very high12 Ų1242.3 Ų42.36%0.05623%0.228CC..  trans-102.9127.1174.7-172.354.5-74.500110.6K241 S243 I284 D288 K291 C292K241-E286 IonicContact NZ-OE1 3.18Å; K241-E286 PolarHBondContact NZ-OE1 3.18Å; K241-E286 IonicContact NZ-OE2 2.65Å; S243-E286 WeakPolarHBondContact CA-OE2 3.41Å; S243-E286 WeakPolarHBondContact CB-OE2 3.34Å; S243-E286 PolarHBondContact OG-OE2 3.31Å; I284-E286 PolarHBondContact O-N 3.16Å; E286-D288 HydrophobicContact CG-CB 4.23Å; E286-D288 WeakPolarHBondContact CG-O 3.3Å; E286-K291 HydrophobicContact CG-CB 3.84Å; E286-C292 HydrophobicContact CB-CB 4.1Å
287A88.6Confident94.2Very high24 Ų2444.6 Ų44.620%0.19824%0.238CC..SBendtrans-80.3-28.1-178.300000111.4P182 W205 Q289P182-A287 HydrophobicContact CG-CB 4.04Å; W205-A287 HydrophobicContact CZ3-CB 4.44Å; A287-Q289 PolarHBondContact O-N 3.5Å
288D87.8Confident94.2Very high58 Ų5844.6 Ų44.631%0.3124%0.238SC..SBendtrans-81105.8174.4-172.5-10.6000110.1E286 E290 K291 C292E286-D288 HydrophobicContact CG-CB 4.23Å; E286-D288 WeakPolarHBondContact CG-O 3.3Å; D288-E290 PolarHBondContact O-N 3.13Å; D288-E290 VanDerWaalsContact O-N 3.16Å; D288-E290 PolarHBondContact OD1-N 2.9Å; D288-K291 HydrophobicContact CB-CB 4.38Å; D288-K291 HydrophobicContact CB-CD 4.28Å; D288-K291 HydrophobicContact CB-CG 4.47Å; D288-K291 PolarHBondContact O-N 3.36Å; D288-K291 VanDerWaalsContact OD2-CE 3.31Å; D288-K291 WeakPolarHBondContact OD2-CE 3.4Å; D288-K291 IonicContact OD2-NZ 3.51Å; D288-K291 PolarHBondContact OD2-NZ 3.23Å; D288-C292 PolarHBondContact O-N 3.26Å
289Q82.7Confident94.1Very high69 Ų6944 Ų4432%0.32223%0.233SC..THydrogen-bonded Turntrans-61.2-25.3-175-68.6-174.511.100113.6D183 A287 K291D183-Q289 PolarHBondContact OD2-NE2 3.4Å; A287-Q289 PolarHBondContact O-N 3.5Å; Q289-K291 VanDerWaalsContact C-N 3.3Å
290E86.8Confident94.1Very high186 Ų18644 Ų4487%0.86924%0.238SC*.THydrogen-bonded Turntrans-74-23.8177.9-65.4-173.6172.700112.6D288D288-E290 PolarHBondContact O-N 3.13Å; D288-E290 VanDerWaalsContact O-N 3.16Å; D288-E290 PolarHBondContact OD1-N 2.9Å
291K91.2Very high94.1Very high118 Ų11847.8 Ų47.851%0.51326%0.256SS..THydrogen-bonded Turntrans-98.4-16.4178.1-65.2177.5-171132.20113E286 D288 Q289E286-K291 HydrophobicContact CG-CB 3.84Å; D288-K291 HydrophobicContact CB-CB 4.38Å; D288-K291 HydrophobicContact CB-CD 4.28Å; D288-K291 HydrophobicContact CB-CG 4.47Å; D288-K291 PolarHBondContact O-N 3.36Å; D288-K291 VanDerWaalsContact OD2-CE 3.31Å; D288-K291 WeakPolarHBondContact OD2-CE 3.4Å; D288-K291 IonicContact OD2-NZ 3.51Å; D288-K291 PolarHBondContact OD2-NZ 3.23Å; Q289-K291 VanDerWaalsContact C-N 3.3Å
292C92.7Very high94.1Very high20 Ų2047.8 Ų47.814%0.13526%0.256CS..SBendtrans-66.1143.1178.6-171.70000110.8E286 D288E286-C292 HydrophobicContact CB-CB 4.1Å; D288-C292 PolarHBondContact O-N 3.26Å
293W95Very high94.1Very high25 Ų2550.4 Ų50.410%0.09527%0.268CS..PPolyproline II helixtrans-65.5145.2172.7-76.50.1000112L204 V280 N283 I284 Q297 E301L204-W293 WeakPolarHBondContact CD1-O 3.18Å; V280-W293 HydrophobicContact CB-CZ3 4.2Å; V280-W293 HydrophobicContact CG1-CZ3 4.23Å; V280-W293 HydrophobicContact CG2-CH2 4.33Å; V280-W293 HydrophobicContact CG2-CZ3 4.02Å; N283-W293 HydrophobicContact CB-CB 4.42Å; N283-W293 VanDerWaalsContact CB-CD1 3.5Å; N283-W293 HydrophobicContact CB-CD2 3.4Å; N283-W293 VanDerWaalsContact CB-CD2 3.4Å; N283-W293 HydrophobicContact CB-CE3 4.07Å; N283-W293 HydrophobicContact CB-CG 3.55Å; N283-W293 HydrophobicContact CB-CH2 4.48Å; N283-W293 HydrophobicContact CB-CZ2 3.88Å; N283-W293 VanDerWaalsContact CB-NE1 3.32Å; N283-W293 VanDerWaalsContact ND2-CZ2 3.35Å; N283-W293 WeakPolarHBondContact ND2-CZ2 3.34Å; N283-W293 PolarHBondContact O-N 3.43Å; N283-W293 PolarHBondContact OD1-NE1 2.82Å; I284-W293 HydrophobicContact CG2-CB 4.42Å; I284-W293 HydrophobicContact CG2-CE3 4.39Å; W293-Q297 VanDerWaalsContact CD1-OE1 3.27Å; W293-Q297 HydrophobicContact CD2-CG 3.79Å; W293-Q297 VanDerWaalsContact CE2-NE2 3.35Å; W293-Q297 HydrophobicContact CE3-CG 4.1Å; W293-Q297 HydrophobicContact CG-CB 4.42Å; W293-Q297 HydrophobicContact CG-CG 4.04Å; W293-E301 HydrophobicContact CE3-CG 4.48Å; W293-E301 HydrophobicContact CH2-CB 3.98Å; W293-E301 HydrophobicContact CH2-CG 3.59Å; W293-E301 HydrophobicContact CZ2-CG 4.39Å; W293-E301 HydrophobicContact CZ3-CB 3.7Å; W293-E301 HydrophobicContact CZ3-CG 3.64Å
294G93.1Very high94.1Very high37 Ų3750.4 Ų50.438%0.38127%0.268SS..PPolyproline II helixtrans-79.3170.1163.200000112.2D296 Q297 F298G294-D296 PolarHBondContact O-N 2.92Å; G294-Q297 PolarHBondContact O-N 2.9Å; G294-F298 PolarHBondContact O-N 3.36Å
295F93.1Very high94.2Very high20 Ų2050.7 Ų50.79%0.08827%0.27CS..Hα-helixtrans-60.5-41.2179.5-81.8-82.6000113.5M123 A200 D203 L204 Q297 F298 F299M123-F295 HydrophobicContact CE-CE1 4.13Å; A200-F295 HydrophobicContact CB-CD2 4.45Å; A200-F295 HydrophobicContact CB-CE2 3.67Å; A200-F295 HydrophobicContact CB-CZ 4.49Å; A200-F295 WeakPolarHBondContact O-CE2 3.46Å; A200-F295 WeakPolarHBondContact O-CZ 3.31Å; D203-F295 HydrophobicContact CB-CZ 4.29Å; L204-F295 HydrophobicContact CD1-CD2 4.46Å; L204-F295 HydrophobicContact CD1-CE2 4.47Å; L204-F295 HydrophobicContact CD2-CD1 3.8Å; L204-F295 HydrophobicContact CD2-CE1 3.59Å; L204-F295 HydrophobicContact CD2-CG 4.47Å; L204-F295 HydrophobicContact CD2-CZ 4.09Å; L204-F295 HydrophobicContact CG-CD1 4.37Å; L204-F295 HydrophobicContact CG-CE1 4Å; L204-F295 HydrophobicContact CG-CE2 4.29Å; L204-F295 HydrophobicContact CG-CZ 3.96Å; F295-Q297 VanDerWaalsContact C-N 3.33Å; F295-Q297 PolarHBondContact O-N 2.9Å; F295-F298 PolarHBondContact O-N 3.47Å; F295-F299 HydrophobicContact CB-CD2 4.12Å; F295-F299 HydrophobicContact CB-CE2 3.77Å; F295-F299 AromaticContact CD1-CE2 3.77Å; F295-F299 HydrophobicContact CD1-CE2 3.77Å; F295-F299 AromaticContact CD1-CZ 3.68Å; F295-F299 HydrophobicContact CD1-CZ 3.68Å; F295-F299 HydrophobicContact CE1-CZ 4.44Å; F295-F299 HydrophobicContact CG-CE2 4.21Å; F295-F299 WeakPolarHBondContact O-CB 3.44Å; F295-F299 WeakPolarHBondContact O-CD2 3.45Å; F295-F299 VanDerWaalsContact O-CG 3.31Å; F295-F299 WeakPolarHBondContact O-CG 3.17Å; F295-F299 PolarHBondContact O-N 2.89Å
296D94.9Very high94.3Very high132 Ų13252.7 Ų52.771%0.70628%0.28SS*.Hα-helixtrans-60.7-44.3-177.7-61.9-23.1000111.7G294 F299 A300G294-D296 PolarHBondContact O-N 2.92Å; D296-F299 PolarHBondContact O-N 3.12Å; D296-A300 VanDerWaalsContact O-CB 3.32Å; D296-A300 WeakPolarHBondContact O-CB 3.42Å; D296-A300 PolarHBondContact O-N 3.29Å
297Q96.6Very high94.4Very high88 Ų8858.3 Ų58.341%0.41131%0.306SS..Hα-helixtrans-67.3-44.6175.9-174.11699.500111.3W293 G294 F295 F299 A300 E301W293-Q297 VanDerWaalsContact CD1-OE1 3.27Å; W293-Q297 HydrophobicContact CD2-CG 3.79Å; W293-Q297 VanDerWaalsContact CE2-NE2 3.35Å; W293-Q297 HydrophobicContact CE3-CG 4.1Å; W293-Q297 HydrophobicContact CG-CB 4.42Å; W293-Q297 HydrophobicContact CG-CG 4.04Å; G294-Q297 PolarHBondContact O-N 2.9Å; F295-Q297 VanDerWaalsContact C-N 3.33Å; F295-Q297 PolarHBondContact O-N 2.9Å; Q297-F299 VanDerWaalsContact C-N 3.34Å; Q297-F299 PolarHBondContact O-N 3.33Å; Q297-A300 PolarHBondContact O-N 2.73Å; Q297-E301 HydrophobicContact CG-CG 4.15Å; Q297-E301 WeakPolarHBondContact O-CB 3.44Å; Q297-E301 WeakPolarHBondContact O-CG 3.36Å; Q297-E301 PolarHBondContact O-N 2.89Å
298F97.5Very high94.9Very high0 Ų060 Ų600%031%0.308CS..Hα-helixtrans-56.4-46.2175.4167.8-104000112.3V120 L204 I207 F211 V280 I284 G294 F295 T302V120-F298 HydrophobicContact CG2-CE1 4.16Å; V120-F298 HydrophobicContact CG2-CZ 3.87Å; L204-F298 HydrophobicContact CD2-CB 4.09Å; L204-F298 HydrophobicContact CD2-CD1 3.64Å; L204-F298 HydrophobicContact CD2-CD2 4.22Å; L204-F298 HydrophobicContact CD2-CE1 4.09Å; L204-F298 HydrophobicContact CD2-CG 3.7Å; I207-F298 HydrophobicContact CG2-CE2 4.36Å; I207-F298 HydrophobicContact CG2-CZ 3.97Å; F211-F298 HydrophobicContact CE2-CE2 4.28Å; F211-F298 HydrophobicContact CE2-CZ 4.1Å; V280-F298 HydrophobicContact CG1-CD2 4.05Å; V280-F298 HydrophobicContact CG1-CE2 4.1Å; I284-F298 HydrophobicContact CD1-CD2 4.3Å; I284-F298 HydrophobicContact CD1-CE2 3.99Å; I284-F298 HydrophobicContact CG2-CD2 3.86Å; G294-F298 PolarHBondContact O-N 3.36Å; F295-F298 PolarHBondContact O-N 3.47Å; F298-T302 HydrophobicContact CD2-CG2 3.94Å; F298-T302 HydrophobicContact CE2-CG2 3.56Å; F298-T302 HydrophobicContact CZ-CG2 3.97Å; F298-T302 WeakPolarHBondContact O-CB 3.49Å; F298-T302 WeakPolarHBondContact O-CG2 3.44Å; F298-T302 PolarHBondContact O-N 3.39Å; F298-T302 PolarHBondContact O-OG1 2.75Å
299F97.7Very high95.3Very high13 Ų1359 Ų596%0.05731%0.307CS..Hα-helixtrans-67.2-42.2177.9-67.1-45.1000112V120 M123 N124 R127 F295 D296 Q297 T302 N303V120-F299 HydrophobicContact CG1-CD1 3.94Å; V120-F299 HydrophobicContact CG1-CE1 4.35Å; M123-F299 HydrophobicContact CB-CE1 4.18Å; M123-F299 HydrophobicContact CB-CZ 4.33Å; N124-F299 VanDerWaalsContact CA-CZ 3.44Å; N124-F299 HydrophobicContact CB-CD1 4.31Å; N124-F299 HydrophobicContact CB-CE1 3.84Å; N124-F299 HydrophobicContact CB-CE2 4.32Å; N124-F299 HydrophobicContact CB-CZ 3.86Å; R127-F299 HydrophobicContact CB-CE2 4.28Å; R127-F299 HydrophobicContact CB-CZ 4.49Å; R127-F299 HydrophobicContact CG-CE2 4.39Å; F295-F299 HydrophobicContact CB-CD2 4.12Å; F295-F299 HydrophobicContact CB-CE2 3.77Å; F295-F299 AromaticContact CD1-CE2 3.77Å; F295-F299 HydrophobicContact CD1-CE2 3.77Å; F295-F299 AromaticContact CD1-CZ 3.68Å; F295-F299 HydrophobicContact CD1-CZ 3.68Å; F295-F299 HydrophobicContact CE1-CZ 4.44Å; F295-F299 HydrophobicContact CG-CE2 4.21Å; F295-F299 WeakPolarHBondContact O-CB 3.44Å; F295-F299 WeakPolarHBondContact O-CD2 3.45Å; F295-F299 VanDerWaalsContact O-CG 3.31Å; F295-F299 WeakPolarHBondContact O-CG 3.17Å; F295-F299 PolarHBondContact O-N 2.89Å; D296-F299 PolarHBondContact O-N 3.12Å; Q297-F299 VanDerWaalsContact C-N 3.34Å; Q297-F299 PolarHBondContact O-N 3.33Å; F299-T302 PolarHBondContact O-OG1 2.87Å; F299-N303 WeakPolarHBondContact O-CB 3.33Å; F299-N303 PolarHBondContact O-N 3.11Å; F299-N303 PolarHBondContact O-ND2 3.19Å
300A98.1Very high96Very high60 Ų6057.5 Ų57.550%0.49630%0.303SS..Hα-helixtrans-59.9-48.2176.900000111.8D296 Q297 D304D296-A300 VanDerWaalsContact O-CB 3.32Å; D296-A300 WeakPolarHBondContact O-CB 3.42Å; D296-A300 PolarHBondContact O-N 3.29Å; Q297-A300 PolarHBondContact O-N 2.73Å; A300-D304 WeakPolarHBondContact O-CB 3.45Å; A300-D304 PolarHBondContact O-N 2.97Å
301E98.4Very high96.5Very high81 Ų8149.1 Ų49.138%0.37926%0.264SS..Hα-helixtrans-71.3-41.5-176.4-65.5-72.4167.700112V280 W293 Q297 D304 I305V280-E301 HydrophobicContact CG2-CB 4.32Å; W293-E301 HydrophobicContact CE3-CG 4.48Å; W293-E301 HydrophobicContact CH2-CB 3.98Å; W293-E301 HydrophobicContact CH2-CG 3.59Å; W293-E301 HydrophobicContact CZ2-CG 4.39Å; W293-E301 HydrophobicContact CZ3-CB 3.7Å; W293-E301 HydrophobicContact CZ3-CG 3.64Å; Q297-E301 HydrophobicContact CG-CG 4.15Å; Q297-E301 WeakPolarHBondContact O-CB 3.44Å; Q297-E301 WeakPolarHBondContact O-CG 3.36Å; Q297-E301 PolarHBondContact O-N 2.89Å; E301-D304 PolarHBondContact O-N 2.9Å; E301-I305 WeakPolarHBondContact O-CG1 3.22Å; E301-I305 PolarHBondContact O-N 3.03Å
302T98.3Very high96.9Very high1 Ų146.4 Ų46.41%0.00625%0.251CS..Hα-helixtrans-68.9-38.9175.851.50000112.3L116 V120 V280 F298 F299 D304 I305 L306L116-T302 HydrophobicContact CD1-CG2 4.14Å; V120-T302 HydrophobicContact CG2-CG2 4.13Å; V280-T302 HydrophobicContact CG1-CG2 3.98Å; F298-T302 HydrophobicContact CD2-CG2 3.94Å; F298-T302 HydrophobicContact CE2-CG2 3.56Å; F298-T302 HydrophobicContact CZ-CG2 3.97Å; F298-T302 WeakPolarHBondContact O-CB 3.49Å; F298-T302 WeakPolarHBondContact O-CG2 3.44Å; F298-T302 PolarHBondContact O-N 3.39Å; F298-T302 PolarHBondContact O-OG1 2.75Å; F299-T302 PolarHBondContact O-OG1 2.87Å; T302-D304 VanDerWaalsContact C-N 3.35Å; T302-I305 WeakPolarHBondContact O-CB 3.28Å; T302-I305 PolarHBondContact O-N 2.78Å; T302-L306 VanDerWaalsContact O-CG 3.3Å; T302-L306 WeakPolarHBondContact O-CG 3.32Å; T302-L306 PolarHBondContact O-N 2.98Å; T302-L306 VanDerWaalsContact O-N 3.08Å
303N97.9Very high97.2Very high65 Ų6545.4 Ų45.435%0.34824%0.244SC..Hα-helixtrans-65.1-38.5173.2-74.7-34.1000111.4F299 I305 L306 H307F299-N303 WeakPolarHBondContact O-CB 3.33Å; F299-N303 PolarHBondContact O-N 3.11Å; F299-N303 PolarHBondContact O-ND2 3.19Å; N303-I305 VanDerWaalsContact C-N 3.26Å; N303-I305 PolarHBondContact O-N 3.02Å; N303-L306 PolarHBondContact O-N 3.43Å; N303-L306 VanDerWaalsContact O-N 3.15Å; N303-H307 PolarHBondContact O-N 2.93Å; N303-H307 PolarHBondContact O-ND1 3.47Å
304D98.4Very high97.3Very high50 Ų5044.2 Ų44.227%0.26724%0.24SC..Hα-helixtrans-56.7-41.5174.2178.679.3000111.6A300 E301 T302 R308 H327A300-D304 WeakPolarHBondContact O-CB 3.45Å; A300-D304 PolarHBondContact O-N 2.97Å; E301-D304 PolarHBondContact O-N 2.9Å; T302-D304 VanDerWaalsContact C-N 3.35Å; D304-R308 WeakPolarHBondContact O-CD 3.45Å; D304-R308 VanDerWaalsContact O-CG 3.31Å; D304-R308 WeakPolarHBondContact O-CG 3.44Å; D304-R308 PolarHBondContact O-NE 2.87Å; D304-R308 IonicContact OD1-NE 2.69Å; D304-R308 IonicContact OD1-NH2 2.69Å; D304-R308 IonicContact OD2-CZ 2.82Å; D304-R308 IonicContact OD2-NE 2.92Å; D304-R308 PolarHBondContact OD2-NE 3.47Å; D304-R308 IonicContact OD2-NH2 3.48Å; D304-R308 PolarHBondContact OD2-NH2 3.48Å; D304-H327 PolarHBondContact O-CE1 2.88Å; D304-H327 IonicContact OD1-CD2 3.96Å; D304-H327 IonicContact OD1-CE1 2.83Å; D304-H327 PolarHBondContact OD1-CE1 3.37Å; D304-H327 IonicContact OD1-NE2 2.74Å; D304-H327 PolarHBondContact OD1-NE2 2.74Å
305I98.5Very high97.6Very high5 Ų542.5 Ų42.53%0.02622%0.222CC..Hα-helixtrans-62-48.7174.8-62.2174.1000111L116 L273 L276 V280 E301 T302 N303 H307 R308L116-I305 HydrophobicContact CD2-CG2 4.27Å; L273-I305 HydrophobicContact CD1-CG2 3.77Å; L276-I305 HydrophobicContact CB-CD1 3.84Å; L276-I305 HydrophobicContact CB-CG1 3.9Å; L276-I305 HydrophobicContact CD1-CG1 4.42Å; L276-I305 HydrophobicContact CD1-CG2 4.49Å; V280-I305 HydrophobicContact CG2-CD1 4.01Å; E301-I305 WeakPolarHBondContact O-CG1 3.22Å; E301-I305 PolarHBondContact O-N 3.03Å; T302-I305 WeakPolarHBondContact O-CB 3.28Å; T302-I305 PolarHBondContact O-N 2.78Å; N303-I305 VanDerWaalsContact C-N 3.26Å; N303-I305 PolarHBondContact O-N 3.02Å; I305-H307 VanDerWaalsContact C-N 3.32Å; I305-H307 PolarHBondContact O-N 3.29Å; I305-R308 PolarHBondContact O-N 2.81Å
306L98Very high97.8Very high43 Ų4341.6 Ų41.623%0.22522%0.218CC..Hα-helixtrans-69.9-23.9-173.7-68.4169.8000114L113 L116 H117 T302 N303L113-L306 HydrophobicContact CD2-CD2 4.41Å; L116-L306 HydrophobicContact CB-CD2 4.43Å; L116-L306 HydrophobicContact CD2-CD2 3.92Å; L116-L306 HydrophobicContact CD2-CG 4.23Å; L116-L306 HydrophobicContact CG-CD1 4.44Å; L116-L306 HydrophobicContact CG-CD2 4.11Å; L116-L306 HydrophobicContact CG-CG 4.41Å; H117-L306 HydrophobicContact CB-CD1 3.99Å; H117-L306 HydrophobicContact CB-CD2 3.85Å; T302-L306 VanDerWaalsContact O-CG 3.3Å; T302-L306 WeakPolarHBondContact O-CG 3.32Å; T302-L306 PolarHBondContact O-N 2.98Å; T302-L306 VanDerWaalsContact O-N 3.08Å; N303-L306 PolarHBondContact O-N 3.43Å; N303-L306 VanDerWaalsContact O-N 3.15Å
307H97.6Very high97.8Very high130 Ų13036 Ų3660%0.60219%0.187SC*.THydrogen-bonded Turntrans-86.7-4.2178-71.592.9000113.8N303 I305N303-H307 PolarHBondContact O-N 2.93Å; N303-H307 PolarHBondContact O-ND1 3.47Å; I305-H307 VanDerWaalsContact C-N 3.32Å; I305-H307 PolarHBondContact O-N 3.29Å
308R98.1Very high97.8Very high60 Ų6032.7 Ų32.723%0.22617%0.172CC..PPolyproline II helixtrans-81.9136.1177.7-71.1164.6-175.7-104.21.7111D304 I305 Y325D304-R308 WeakPolarHBondContact O-CD 3.45Å; D304-R308 VanDerWaalsContact O-CG 3.31Å; D304-R308 WeakPolarHBondContact O-CG 3.44Å; D304-R308 PolarHBondContact O-NE 2.87Å; D304-R308 IonicContact OD1-NE 2.69Å; D304-R308 IonicContact OD1-NH2 2.69Å; D304-R308 IonicContact OD2-CZ 2.82Å; D304-R308 IonicContact OD2-NE 2.92Å; D304-R308 PolarHBondContact OD2-NE 3.47Å; D304-R308 IonicContact OD2-NH2 3.48Å; D304-R308 PolarHBondContact OD2-NH2 3.48Å; I305-R308 PolarHBondContact O-N 2.81Å; R308-Y325 HydrophobicContact CB-CD1 4.11Å; R308-Y325 PolarHBondContact NH1-O 3.26Å
309A96.7Very high97.8Very high35 Ų3532.8 Ų32.829%0.28917%0.173SC..EExtended strand (participates in β ladder)trans-79.4154.7164.900000110.3Y325 I326 E328A309-Y325 WeakPolarHBondContact O-CA 3.2Å; A309-I326 PolarHBondContact N-O 3.35Å; A309-I326 PolarHBondContact O-N 2.93Å; A309-E328 HydrophobicContact CB-CG 4.14Å
310V97.4Very high97.8Very high39 Ų3933 Ų3324%0.23618%0.175CC..EExtended strand (participates in β ladder)trans-104123.6176.1-174.90000109.9Y312 H323 Y325V310-Y312 HydrophobicContact CB-CE2 4.36Å; V310-Y312 HydrophobicContact CG1-CD2 4.28Å; V310-Y312 HydrophobicContact CG1-CE2 3.95Å; V310-H323 HydrophobicContact CG1-CB 3.88Å; V310-Y325 HydrophobicContact CG2-CD1 3.85Å; V310-Y325 HydrophobicContact CG2-CD2 4.37Å; V310-Y325 HydrophobicContact CG2-CE1 3.48Å; V310-Y325 VanDerWaalsContact CG2-CE1 3.48Å; V310-Y325 HydrophobicContact CG2-CE2 4.03Å; V310-Y325 HydrophobicContact CG2-CG 4.28Å
311V98.2Very high97.8Very high10 Ų1031 Ų316%0.06116%0.156CC..EExtended strand (participates in β ladder)trans-105.4120.1169.6-176.70000108.7V313 I324 I326 F335 F370 T373 I379V311-V313 HydrophobicContact CG1-CG2 4.21Å; V311-I324 HydrophobicContact CB-CB 4.4Å; V311-I324 PolarHBondContact N-O 2.66Å; V311-I324 PolarHBondContact O-N 3.23Å; V311-I326 HydrophobicContact CG2-CG2 3.9Å; V311-F335 HydrophobicContact CB-CE2 3.94Å; V311-F335 HydrophobicContact CG1-CE2 3.62Å; V311-F335 HydrophobicContact CG1-CZ 3.99Å; V311-F370 HydrophobicContact CG2-CD2 4.13Å; V311-T373 HydrophobicContact CG1-CG2 4.21Å; V311-I379 HydrophobicContact CG1-CD1 3.89Å
312Y98.5Very high97.8Very high60 Ų6028.5 Ų28.524%0.23514%0.144CC..EExtended strand (participates in β ladder)trans-85.3124.1179.9-62.9-101.7000109.7V310 H323 T373 S374 R375 P378 I379V310-Y312 HydrophobicContact CB-CE2 4.36Å; V310-Y312 HydrophobicContact CG1-CD2 4.28Å; V310-Y312 HydrophobicContact CG1-CE2 3.95Å; Y312-H323 AromaticContact CD1-CD2 3.77Å; Y312-H323 AromaticContact CD1-NE2 3.7Å; Y312-H323 AromaticContact CE1-CD2 3.31Å; Y312-H323 WeakPolarHBondContact CE1-CD2 3.4Å; Y312-H323 AromaticContact CE1-NE2 3.21Å; Y312-H323 WeakPolarHBondContact CE1-NE2 3.47Å; Y312-T373 WeakPolarHBondContact CD2-O 3.31Å; Y312-T373 PolarHBondContact N-OG1 2.89Å; Y312-S374 WeakPolarHBondContact CB-O 3.19Å; Y312-S374 VanDerWaalsContact CG-C 3.48Å; Y312-R375 HydrophobicContact CD1-CB 4.47Å; Y312-R375 HydrophobicContact CE1-CB 4.3Å; Y312-P378 WeakPolarHBondContact O-CA 3.46Å; Y312-P378 WeakPolarHBondContact O-CB 3.46Å; Y312-I379 PolarHBondContact O-N 3.49Å
313V98.5Very high97.7Very high0 Ų030 Ų300%015%0.151CC..EExtended strand (participates in β ladder)trans-129.2126.9-179.2-173.40000110V311 H322 I324 F335 L339 I379 V381V311-V313 HydrophobicContact CG1-CG2 4.21Å; V313-H322 PolarHBondContact N-O 3.23Å; V313-H322 WeakPolarHBondContact O-CA 3.46Å; V313-H322 WeakPolarHBondContact O-CB 3.04Å; V313-H322 PolarHBondContact O-N 3.36Å; V313-I324 HydrophobicContact CG2-CG1 3.94Å; V313-F335 HydrophobicContact CG2-CE2 3.87Å; V313-F335 HydrophobicContact CG2-CZ 3.61Å; V313-L339 HydrophobicContact CB-CD1 4.16Å; V313-L339 HydrophobicContact CG1-CD1 3.68Å; V313-L339 HydrophobicContact CG1-CD2 4.15Å; V313-L339 HydrophobicContact CG2-CD1 4.45Å; V313-I379 CarbonylContact C-O 3.51Å; V313-I379 WeakPolarHBondContact CA-O 3.19Å; V313-I379 WeakPolarHBondContact CG1-O 3.4Å; V313-I379 HydrophobicContact CG2-CB 4.49Å; V313-V381 HydrophobicContact CG1-CB 4.11Å; V313-V381 HydrophobicContact CG1-CG1 3.77Å
314F98.5Very high97.7Very high0 Ų027.2 Ų27.20%014%0.136CC..EExtended strand (participates in β ladder)trans-107.3117.9176.1-170.7-97.8000110.6L316 A319 T320 L321 P378 I379 M380 V381 Y435 L438 V439F314-L316 HydrophobicContact CD1-CD1 4.44Å; F314-L316 HydrophobicContact CE1-CD1 4.11Å; F314-L316 PolarHBondContact O-N 2.99Å; F314-A319 HydrophobicContact CZ-CB 4.41Å; F314-T320 WeakPolarHBondContact CA-O 3.5Å; F314-L321 HydrophobicContact CB-CD1 4.25Å; F314-L321 HydrophobicContact CD2-CB 3.99Å; F314-L321 HydrophobicContact CD2-CD1 4.22Å; F314-P378 HydrophobicContact CB-CB 4.1Å; F314-P378 HydrophobicContact CB-CG 3.67Å; F314-I379 PolarHBondContact N-O 2.76Å; F314-M380 HydrophobicContact CB-SD 3.81Å; F314-M380 HydrophobicContact CD1-CE 4.44Å; F314-M380 HydrophobicContact CD1-SD 3.68Å; F314-M380 HydrophobicContact CG-SD 4.16Å; F314-M380 WeakPolarHBondContact O-CA 3.31Å; F314-V381 PolarHBondContact O-N 3.01Å; F314-Y435 HydrophobicContact CE2-CD1 4.09Å; F314-Y435 HydrophobicContact CE2-CE1 4.37Å; F314-Y435 HydrophobicContact CE2-CG 4.22Å; F314-L438 HydrophobicContact CD1-CB 4.09Å; F314-L438 HydrophobicContact CD2-CB 4.05Å; F314-L438 HydrophobicContact CD2-CD1 3.53Å; F314-L438 HydrophobicContact CD2-CG 4.44Å; F314-L438 HydrophobicContact CE1-CB 3.99Å; F314-L438 HydrophobicContact CE2-CB 3.97Å; F314-L438 HydrophobicContact CE2-CD1 3.87Å; F314-L438 HydrophobicContact CG-CB 4.11Å; F314-L438 HydrophobicContact CG-CD1 4.08Å; F314-L438 HydrophobicContact CZ-CB 3.94Å; F314-V439 HydrophobicContact CE1-CG2 3.82Å; F314-V439 HydrophobicContact CZ-CG2 3.77Å
315S98.1Very high97.7Very high0 Ų025.4 Ų25.40%013%0.126CC..EExtended strand (participates in β ladder)trans-81.4107174.6-1800000109.1Q317 Q318 A319 T320S315-Q317 PolarHBondContact O-N 3.34Å; S315-Q318 PolarHBondContact O-N 3.45Å; S315-Q318 WeakPolarHBondContact OG-CB 3.34Å; S315-Q318 WeakPolarHBondContact OG-CG 3.38Å; S315-Q318 PolarHBondContact OG-OE1 2.84Å; S315-A319 VanDerWaalsContact O-CA 3.32Å; S315-A319 WeakPolarHBondContact O-CA 3.41Å; S315-A319 PolarHBondContact O-N 3.31Å; S315-T320 PolarHBondContact N-O 3.32Å; S315-T320 PolarHBondContact O-N 3.08Å
316L97.2Very high97.7Very high1 Ų125.2 Ų25.21%0.00513%0.125CC..THydrogen-bonded Turntrans-68.5-38.4-168.6-174.360.4000112.6F314 V381 V382 V439 G442 L446 M620F314-L316 HydrophobicContact CD1-CD1 4.44Å; F314-L316 HydrophobicContact CE1-CD1 4.11Å; F314-L316 PolarHBondContact O-N 2.99Å; L316-V381 PolarHBondContact N-O 3.43Å; L316-V382 HydrophobicContact CB-CG2 4.1Å; L316-V382 HydrophobicContact CD2-CG2 4.01Å; L316-V439 HydrophobicContact CD1-CB 4.47Å; L316-V439 HydrophobicContact CD1-CG1 4.46Å; L316-V439 HydrophobicContact CD1-CG2 4.48Å; L316-G442 VanDerWaalsContact CD2-C 3.46Å; L316-G442 WeakPolarHBondContact CD2-O 3.45Å; L316-L446 HydrophobicContact CD2-CB 4.3Å; L316-L446 HydrophobicContact CD2-CD2 3.97Å; L316-M620 HydrophobicContact CB-CE 4.02Å; L316-M620 HydrophobicContact CD2-CE 3.54Å; L316-M620 HydrophobicContact CG-CE 3.37Å
317Q95.6Very high97.7Very high14 Ų1423.9 Ų23.97%0.06512%0.117CC..THydrogen-bonded Turntrans-74.7-37.3179.1-69.6164.7-62.100112.5S315 A319 S383 E385 V387 T389 M620S315-Q317 PolarHBondContact O-N 3.34Å; Q317-A319 VanDerWaalsContact C-N 3.29Å; Q317-S383 VanDerWaalsContact OE1-CA 3.31Å; Q317-E385 PolarHBondContact NE2-O 3.46Å; Q317-V387 HydrophobicContact CB-CB 4.33Å; Q317-T389 WeakPolarHBondContact O-CA 3.41Å; Q317-T389 PolarHBondContact O-OG1 3.35Å; Q317-M620 HydrophobicContact CB-CE 4.46Å; Q317-M620 HydrophobicContact CG-CE 3.63Å; Q317-M620 HydrophobicContact CG-CG 4.27Å; Q317-M620 HydrophobicContact CG-SD 3.82Å
318Q97.4Very high97.7Very high20 Ų2022.6 Ų22.69%0.09311%0.112CC..THydrogen-bonded Turntrans-76.3-20.8175.4-66.3172.8-40.800112.1S315 T320 T343 V387 A388 V390 G391S315-Q318 PolarHBondContact O-N 3.45Å; S315-Q318 WeakPolarHBondContact OG-CB 3.34Å; S315-Q318 WeakPolarHBondContact OG-CG 3.38Å; S315-Q318 PolarHBondContact OG-OE1 2.84Å; Q318-T320 HydrophobicContact CB-CG2 4.24Å; Q318-T320 WeakPolarHBondContact CB-OG1 3.41Å; Q318-T343 PolarHBondContact NE2-O 2.79Å; Q318-V387 HydrophobicContact CG-CG1 3.57Å; Q318-A388 WeakPolarHBondContact CG-O 3.4Å; Q318-V390 HydrophobicContact CB-CG2 4.38Å; Q318-V390 PolarHBondContact O-N 3.43Å; Q318-G391 PolarHBondContact O-N 3.1Å
319A97.4Very high97.7Very high1 Ų126.7 Ų26.71%0.00813%0.128CC..THydrogen-bonded Turntrans54.948.5-170.400000112.4F314 S315 Q317 G391 Y435 V439 I613F314-A319 HydrophobicContact CZ-CB 4.41Å; S315-A319 VanDerWaalsContact O-CA 3.32Å; S315-A319 WeakPolarHBondContact O-CA 3.41Å; S315-A319 PolarHBondContact O-N 3.31Å; Q317-A319 VanDerWaalsContact C-N 3.29Å; A319-G391 WeakPolarHBondContact O-CA 3.45Å; A319-Y435 WeakPolarHBondContact O-CD1 3.27Å; A319-Y435 WeakPolarHBondContact O-CE1 3.23Å; A319-V439 HydrophobicContact CB-CG2 4.17Å; A319-I613 HydrophobicContact CB-CD1 3.68Å
320T97.5Very high97.7Very high18 Ų1826.3 Ų26.311%0.1112%0.121CC..EExtended strand (participates in β ladder)trans-129.8133.5-176.249.40000112.1F314 S315 Q318 H322 V390 G391F314-T320 WeakPolarHBondContact CA-O 3.5Å; S315-T320 PolarHBondContact N-O 3.32Å; S315-T320 PolarHBondContact O-N 3.08Å; Q318-T320 HydrophobicContact CB-CG2 4.24Å; Q318-T320 WeakPolarHBondContact CB-OG1 3.41Å; T320-H322 PolarHBondContact O-CD2 3.4Å; T320-H322 PolarHBondContact OG1-NE2 2.94Å; T320-V390 HydrophobicContact CG2-CB 3.93Å; T320-V390 HydrophobicContact CG2-CG1 4.18Å; T320-G391 WeakPolarHBondContact CG2-O 3.08Å
321L97.7Very high97.8Very high19 Ų1926.7 Ų26.710%0.09912%0.124CC..EExtended strand (participates in β ladder)trans-90130.4171.4-174.966000110.4F314 R375 P378 Y435 L438F314-L321 HydrophobicContact CB-CD1 4.25Å; F314-L321 HydrophobicContact CD2-CB 3.99Å; F314-L321 HydrophobicContact CD2-CD1 4.22Å; L321-R375 HydrophobicContact CD2-CG 3.89Å; L321-P378 HydrophobicContact CD1-CB 4.05Å; L321-P378 HydrophobicContact CD1-CG 4.33Å; L321-Y435 HydrophobicContact CB-CE2 3.81Å; L321-Y435 WeakPolarHBondContact CB-OH 3.48Å; L321-Y435 PolarHBondContact N-OH 2.88Å; L321-L438 HydrophobicContact CD1-CD1 4.37Å
322H97.7Very high97.8Very high28 Ų2826.2 Ų26.213%0.1312%0.121CC..EExtended strand (participates in β ladder)trans-117.8137179.5-57.4-83.7000110.1V313 T320 I324V313-H322 PolarHBondContact N-O 3.23Å; V313-H322 WeakPolarHBondContact O-CA 3.46Å; V313-H322 WeakPolarHBondContact O-CB 3.04Å; V313-H322 PolarHBondContact O-N 3.36Å; T320-H322 PolarHBondContact O-CD2 3.4Å; T320-H322 PolarHBondContact OG1-NE2 2.94Å; H322-I324 HydrophobicContact CB-CD1 4.18Å
323H97.6Very high97.7Very high33 Ų3325.4 Ų25.415%0.15313%0.126CC..EExtended strand (participates in β ladder)trans-104.2109172.1-61.666.8000106.8S270 G272 V310 Y312 Y325S270-H323 VanDerWaalsContact CB-CG 3.45Å; S270-H323 VanDerWaalsContact CB-ND1 3.28Å; S270-H323 WeakPolarHBondContact CB-ND1 3.48Å; S270-H323 WeakPolarHBondContact OG-CB 3.34Å; G272-H323 WeakPolarHBondContact CA-O 3.48Å; V310-H323 HydrophobicContact CG1-CB 3.88Å; Y312-H323 AromaticContact CD1-CD2 3.77Å; Y312-H323 AromaticContact CD1-NE2 3.7Å; Y312-H323 AromaticContact CE1-CD2 3.31Å; Y312-H323 WeakPolarHBondContact CE1-CD2 3.4Å; Y312-H323 AromaticContact CE1-NE2 3.21Å; Y312-H323 WeakPolarHBondContact CE1-NE2 3.47Å; H323-Y325 HydrophobicContact CB-CD2 4.45Å; H323-Y325 HydrophobicContact CB-CE2 4.09Å
324I97.9Very high97.7Very high6 Ų628.4 Ų28.43%0.03114%0.142CC..EExtended strand (participates in β ladder)trans-96.8105.4-179.7-53.2-58.5000108.3V311 V313 H322 F335 L338 L339 R342V311-I324 HydrophobicContact CB-CB 4.4Å; V311-I324 PolarHBondContact N-O 2.66Å; V311-I324 PolarHBondContact O-N 3.23Å; V313-I324 HydrophobicContact CG2-CG1 3.94Å; H322-I324 HydrophobicContact CB-CD1 4.18Å; I324-F335 HydrophobicContact CB-CD2 4.4Å; I324-F335 HydrophobicContact CB-CE2 4.11Å; I324-F335 HydrophobicContact CG1-CE2 4.13Å; I324-F335 HydrophobicContact CG2-CD2 3.86Å; I324-F335 HydrophobicContact CG2-CE2 4.06Å; I324-L338 HydrophobicContact CG2-CB 4.06Å; I324-L338 HydrophobicContact CG2-CD1 4.13Å; I324-L339 HydrophobicContact CD1-CD1 4.44Å; I324-R342 HydrophobicContact CD1-CG 4.05Å
325Y97.9Very high97.6Very high12 Ų1228.4 Ų28.45%0.04714%0.142CC..EExtended strand (participates in β ladder)trans-82.1112.6175.9-79.6-99.1000110.4E109 L113 L273 L276 R308 A309 V310 H323E109-Y325 WeakPolarHBondContact OE1-CE2 3.23Å; E109-Y325 PolarHBondContact OE1-OH 3.04Å; L113-Y325 HydrophobicContact CD1-CE1 4.43Å; L273-Y325 HydrophobicContact CB-CE2 3.79Å; L273-Y325 HydrophobicContact CD1-CE1 4.24Å; L276-Y325 HydrophobicContact CD1-CD1 4.26Å; L276-Y325 HydrophobicContact CD1-CD2 4.47Å; L276-Y325 HydrophobicContact CD1-CG 3.89Å; R308-Y325 HydrophobicContact CB-CD1 4.11Å; R308-Y325 PolarHBondContact NH1-O 3.26Å; A309-Y325 WeakPolarHBondContact O-CA 3.2Å; V310-Y325 HydrophobicContact CG2-CD1 3.85Å; V310-Y325 HydrophobicContact CG2-CD2 4.37Å; V310-Y325 HydrophobicContact CG2-CE1 3.48Å; V310-Y325 VanDerWaalsContact CG2-CE1 3.48Å; V310-Y325 HydrophobicContact CG2-CE2 4.03Å; V310-Y325 HydrophobicContact CG2-CG 4.28Å; H323-Y325 HydrophobicContact CB-CD2 4.45Å; H323-Y325 HydrophobicContact CB-CE2 4.09Å
326I98.1Very high97.6Very high0 Ų029.8 Ų29.80%015%0.149CC..EExtended strand (participates in β ladder)trans-142.5143-172.7-171.1169.7000110.7A309 V311 N330 F335 L338 A367A309-I326 PolarHBondContact N-O 3.35Å; A309-I326 PolarHBondContact O-N 2.93Å; V311-I326 HydrophobicContact CG2-CG2 3.9Å; I326-N330 HydrophobicContact CD1-CB 3.75Å; I326-N330 HydrophobicContact CG1-CB 3.58Å; I326-N330 WeakPolarHBondContact CG1-OD1 3.13Å; I326-F335 HydrophobicContact CD1-CB 3.74Å; I326-L338 HydrophobicContact CB-CD1 4.41Å; I326-L338 HydrophobicContact CD1-CD1 4.32Å; I326-L338 HydrophobicContact CG1-CD1 4.37Å; I326-A367 HydrophobicContact CD1-CB 4.27Å; I326-A367 HydrophobicContact CG1-CB 4.44Å; I326-A367 HydrophobicContact CG2-CB 4.11Å
327H98.4Very high97.5Very high15 Ų1532.5 Ų32.57%0.06916%0.163CC..  trans-71.8144.9174.6-70.5-72.1000111D304 Y329 N330D304-H327 PolarHBondContact O-CE1 2.88Å; D304-H327 IonicContact OD1-CD2 3.96Å; D304-H327 IonicContact OD1-CE1 2.83Å; D304-H327 PolarHBondContact OD1-CE1 3.37Å; D304-H327 IonicContact OD1-NE2 2.74Å; D304-H327 PolarHBondContact OD1-NE2 2.74Å; H327-Y329 HydrophobicContact CB-CD1 3.8Å; H327-Y329 HydrophobicContact CB-CD2 4.41Å; H327-Y329 HydrophobicContact CB-CE1 3.39Å; H327-Y329 HydrophobicContact CB-CE2 4.05Å; H327-Y329 HydrophobicContact CB-CG 4.29Å; H327-Y329 AromaticContact CD2-CZ 3.96Å; H327-Y329 PolarHBondContact CD2-OH 3.16Å; H327-Y329 AromaticContact CG-CE1 3.67Å; H327-Y329 AromaticContact CG-CZ 3.66Å; H327-Y329 AromaticContact ND1-CE1 3.96Å; H327-Y329 PolarHBondContact O-N 2.74Å; H327-Y329 VanDerWaalsContact O-N 3.13Å; H327-N330 WeakPolarHBondContact CB-OD1 3.46Å; H327-N330 PolarHBondContact N-OD1 3.18Å; H327-N330 VanDerWaalsContact N-OD1 3.13Å; H327-N330 VanDerWaalsContact O-CB 3.3Å; H327-N330 WeakPolarHBondContact O-CB 3.44Å; H327-N330 PolarHBondContact O-N 3.29Å
328E97.3Very high97.6Very high104 Ų10433.7 Ų33.749%0.48617%0.17SC..THydrogen-bonded Turntrans-58.9-29-177.3-75.6-160.5150.900114.2A309 A367 K368A309-E328 HydrophobicContact CB-CG 4.14Å; E328-A367 PolarHBondContact O-N 3.44Å; E328-K368 HydrophobicContact CB-CB 3.98Å; E328-K368 HydrophobicContact CG-CB 4.4Å; E328-K368 PolarHBondContact O-N 2.88Å
329Y97.3Very high97.5Very high146 Ų14632.8 Ų32.857%0.57317%0.165SC*.THydrogen-bonded Turntrans-83.5-10.8177.760-98.8000113.8H327H327-Y329 HydrophobicContact CB-CD1 3.8Å; H327-Y329 HydrophobicContact CB-CD2 4.41Å; H327-Y329 HydrophobicContact CB-CE1 3.39Å; H327-Y329 HydrophobicContact CB-CE2 4.05Å; H327-Y329 HydrophobicContact CB-CG 4.29Å; H327-Y329 AromaticContact CD2-CZ 3.96Å; H327-Y329 PolarHBondContact CD2-OH 3.16Å; H327-Y329 AromaticContact CG-CE1 3.67Å; H327-Y329 AromaticContact CG-CZ 3.66Å; H327-Y329 AromaticContact ND1-CE1 3.96Å; H327-Y329 PolarHBondContact O-N 2.74Å; H327-Y329 VanDerWaalsContact O-N 3.13Å
330N98.3Very high97.4Very high26 Ų2634.4 Ų34.414%0.13918%0.176CC..  trans-70.9158.7177.2-67.1154.7000111.7I326 H327 L334 Q366 A367I326-N330 HydrophobicContact CD1-CB 3.75Å; I326-N330 HydrophobicContact CG1-CB 3.58Å; I326-N330 WeakPolarHBondContact CG1-OD1 3.13Å; H327-N330 WeakPolarHBondContact CB-OD1 3.46Å; H327-N330 PolarHBondContact N-OD1 3.18Å; H327-N330 VanDerWaalsContact N-OD1 3.13Å; H327-N330 VanDerWaalsContact O-CB 3.3Å; H327-N330 WeakPolarHBondContact O-CB 3.44Å; H327-N330 PolarHBondContact O-N 3.29Å; N330-L334 HydrophobicContact CB-CD2 3.92Å; N330-Q366 CarbonylContact O-C 3.59Å; N330-Q366 VanDerWaalsContact O-CA 3.29Å; N330-Q366 WeakPolarHBondContact O-CA 3.37Å; N330-A367 PolarHBondContact O-N 3.22Å
331T98.3Very high97.3Very high48 Ų4842 Ų4229%0.29420%0.203SC..BIsolated β-bridgetrans-97163.7-17260.50000112.7A333 L334 F335 P363 R365T331-A333 PolarHBondContact O-N 3.03Å; T331-L334 PolarHBondContact O-N 2.85Å; T331-L334 VanDerWaalsContact O-N 3.15Å; T331-F335 PolarHBondContact O-N 2.87Å; T331-P363 VanDerWaalsContact CB-O 3.3Å; T331-P363 WeakPolarHBondContact CB-O 3.32Å; T331-R365 CarbonylContact C-O 3.55Å; T331-R365 WeakPolarHBondContact CA-O 3.04Å
332A97.7Very high97.1Very high0 Ų045.2 Ų45.20%021%0.214CC..Hα-helixtrans-58.6-33.8173.400000113.2L334 F335 Q336 L361 D362 P363 R365 F370A332-L334 VanDerWaalsContact C-N 3.35Å; A332-L334 PolarHBondContact O-N 3.31Å; A332-F335 WeakPolarHBondContact O-CB 3.29Å; A332-F335 PolarHBondContact O-N 3.17Å; A332-Q336 WeakPolarHBondContact O-CG 3.41Å; A332-Q336 PolarHBondContact O-N 3.34Å; A332-L361 HydrophobicContact CB-CB 3.72Å; A332-L361 HydrophobicContact CB-CD1 4.27Å; A332-D362 VanDerWaalsContact CB-O 3.23Å; A332-D362 WeakPolarHBondContact CB-O 3.48Å; A332-P363 PolarHBondContact N-O 3.48Å; A332-R365 HydrophobicContact CB-CB 4.44Å; A332-R365 PolarHBondContact N-O 3.09Å; A332-F370 HydrophobicContact CB-CE1 4.15Å; A332-F370 HydrophobicContact CB-CZ 4.02Å
333A97.3Very high97Very high42 Ų4244 Ų4435%0.34721%0.208SC..Hα-helixtrans-58.2-45.617400000112.1T331 Q336 D337 P363T331-A333 PolarHBondContact O-N 3.03Å; A333-Q336 PolarHBondContact O-N 3.01Å; A333-D337 PolarHBondContact O-N 3.21Å; A333-D337 VanDerWaalsContact O-N 3.09Å; A333-P363 HydrophobicContact CB-CB 4.35Å; A333-P363 PolarHBondContact N-O 3.38Å; A333-P363 VanDerWaalsContact N-O 3.08Å
334L97.6Very high96.9Very high63 Ų6347.3 Ų47.333%0.3324%0.235SC..Hα-helixtrans-67.9-40.5176.1179.557.5000111.5N330 T331 A332 Q336 D337 L338N330-L334 HydrophobicContact CB-CD2 3.92Å; T331-L334 PolarHBondContact O-N 2.85Å; T331-L334 VanDerWaalsContact O-N 3.15Å; A332-L334 VanDerWaalsContact C-N 3.35Å; A332-L334 PolarHBondContact O-N 3.31Å; L334-Q336 VanDerWaalsContact C-N 3.34Å; L334-Q336 PolarHBondContact O-N 3.04Å; L334-D337 PolarHBondContact O-N 3.18Å; L334-L338 HydrophobicContact CD1-CG 4.18Å; L334-L338 HydrophobicContact CG-CD1 4.25Å; L334-L338 HydrophobicContact CG-CG 4.39Å; L334-L338 WeakPolarHBondContact O-CG 3.4Å; L334-L338 PolarHBondContact O-N 2.74Å
335F98Very high96.8Very high0 Ų047 Ų470%023%0.234CC..Hα-helixtrans-56.4-46.6175.1168.4-104.5000112.4V311 V313 I324 I326 T331 A332 L338 L339 L352 L361 F370 I379V311-F335 HydrophobicContact CB-CE2 3.94Å; V311-F335 HydrophobicContact CG1-CE2 3.62Å; V311-F335 HydrophobicContact CG1-CZ 3.99Å; V313-F335 HydrophobicContact CG2-CE2 3.87Å; V313-F335 HydrophobicContact CG2-CZ 3.61Å; I324-F335 HydrophobicContact CB-CD2 4.4Å; I324-F335 HydrophobicContact CB-CE2 4.11Å; I324-F335 HydrophobicContact CG1-CE2 4.13Å; I324-F335 HydrophobicContact CG2-CD2 3.86Å; I324-F335 HydrophobicContact CG2-CE2 4.06Å; I326-F335 HydrophobicContact CD1-CB 3.74Å; T331-F335 PolarHBondContact O-N 2.87Å; A332-F335 WeakPolarHBondContact O-CB 3.29Å; A332-F335 PolarHBondContact O-N 3.17Å; F335-L338 PolarHBondContact O-N 3.47Å; F335-L339 WeakPolarHBondContact O-CB 3.3Å; F335-L339 PolarHBondContact O-N 3.44Å; F335-L352 HydrophobicContact CE1-CD1 4.21Å; F335-L361 HydrophobicContact CD1-CD1 4.08Å; F335-L361 HydrophobicContact CE1-CD1 4.15Å; F335-F370 HydrophobicContact CB-CE2 3.86Å; F335-F370 HydrophobicContact CB-CZ 4.07Å; F335-F370 HydrophobicContact CD1-CE2 4.01Å; F335-F370 HydrophobicContact CD1-CZ 4.41Å; F335-F370 HydrophobicContact CD2-CE2 4.02Å; F335-F370 AromaticContact CG-CE2 3.68Å; F335-F370 HydrophobicContact CG-CE2 3.68Å; F335-F370 HydrophobicContact CG-CZ 4.25Å; F335-I379 HydrophobicContact CZ-CD1 4.41Å
336Q96.8Very high96.7Very high30 Ų3049 Ų4914%0.1425%0.248CC..Hα-helixtrans-69.5-31.7179.4-69.2-178.7-54.400112.9A332 A333 L334 L339 C340 L347 Q350A332-Q336 WeakPolarHBondContact O-CG 3.41Å; A332-Q336 PolarHBondContact O-N 3.34Å; A333-Q336 PolarHBondContact O-N 3.01Å; L334-Q336 VanDerWaalsContact C-N 3.34Å; L334-Q336 PolarHBondContact O-N 3.04Å; Q336-L339 PolarHBondContact O-N 2.99Å; Q336-C340 WeakPolarHBondContact O-CB 3.19Å; Q336-C340 PolarHBondContact O-N 3.15Å; Q336-L347 HydrophobicContact CB-CD1 3.45Å; Q336-L347 VanDerWaalsContact CB-CD1 3.45Å; Q336-L347 HydrophobicContact CB-CG 4.4Å; Q336-L347 HydrophobicContact CG-CD1 4.42Å; Q336-Q350 PolarHBondContact O-NE2 3.38Å; Q336-Q350 VanDerWaalsContact O-NE2 3.12Å
337D96.3Very high96.5Very high57 Ų5753.4 Ų53.431%0.30527%0.271SS..Hα-helixtrans-65.9-46.8170.8-179.463.6000111.6A333 L334 L339 C340 R341A333-D337 PolarHBondContact O-N 3.21Å; A333-D337 VanDerWaalsContact O-N 3.09Å; L334-D337 PolarHBondContact O-N 3.18Å; D337-L339 VanDerWaalsContact C-N 3.27Å; D337-L339 PolarHBondContact O-N 3.39Å; D337-C340 WeakPolarHBondContact O-CB 3.17Å; D337-C340 PolarHBondContact O-N 2.69Å; D337-C340 VanDerWaalsContact O-N 3.11Å; D337-R341 WeakPolarHBondContact O-CG 3.27Å; D337-R341 PolarHBondContact O-N 3.34Å; D337-R341 IonicContact OD1-NE 3.58Å; D337-R341 IonicContact OD2-CZ 3.1Å; D337-R341 IonicContact OD2-NE 2.71Å; D337-R341 PolarHBondContact OD2-NE 2.71Å; D337-R341 IonicContact OD2-NH2 3.79Å; D337-R341 PolarHBondContact OD2-NH2 2.91Å
338L96.2Very high96.2Very high40 Ų4059.3 Ų59.321%0.20930%0.298CS..Hα-helixtrans-58.8-41.8174.1-69.1174.8000111.1I324 I326 L334 F335 R341 R342I324-L338 HydrophobicContact CG2-CB 4.06Å; I324-L338 HydrophobicContact CG2-CD1 4.13Å; I326-L338 HydrophobicContact CB-CD1 4.41Å; I326-L338 HydrophobicContact CD1-CD1 4.32Å; I326-L338 HydrophobicContact CG1-CD1 4.37Å; L334-L338 HydrophobicContact CD1-CG 4.18Å; L334-L338 HydrophobicContact CG-CD1 4.25Å; L334-L338 HydrophobicContact CG-CG 4.39Å; L334-L338 WeakPolarHBondContact O-CG 3.4Å; L334-L338 PolarHBondContact O-N 2.74Å; F335-L338 PolarHBondContact O-N 3.47Å; L338-R341 PolarHBondContact O-N 2.72Å; L338-R342 WeakPolarHBondContact O-CG 3.48Å; L338-R342 PolarHBondContact O-N 3.3Å
339L96.3Very high96.1Very high0 Ų055.3 Ų55.30%028%0.28CS..Hα-helixtrans-63.4-41.3175.2-174.959.8000111.8V313 I324 F335 Q336 D337 R341 R342 T343 L352 V381V313-L339 HydrophobicContact CB-CD1 4.16Å; V313-L339 HydrophobicContact CG1-CD1 3.68Å; V313-L339 HydrophobicContact CG1-CD2 4.15Å; V313-L339 HydrophobicContact CG2-CD1 4.45Å; I324-L339 HydrophobicContact CD1-CD1 4.44Å; F335-L339 WeakPolarHBondContact O-CB 3.3Å; F335-L339 PolarHBondContact O-N 3.44Å; Q336-L339 PolarHBondContact O-N 2.99Å; D337-L339 VanDerWaalsContact C-N 3.27Å; D337-L339 PolarHBondContact O-N 3.39Å; L339-R341 PolarHBondContact O-N 2.84Å; L339-R342 PolarHBondContact O-N 3.22Å; L339-T343 HydrophobicContact CD1-CG2 3.63Å; L339-T343 HydrophobicContact CG-CG2 4.26Å; L339-T343 WeakPolarHBondContact O-CB 3.37Å; L339-T343 PolarHBondContact O-N 3.44Å; L339-T343 PolarHBondContact O-OG1 3.34Å; L339-L352 HydrophobicContact CD2-CD2 3.95Å; L339-V381 HydrophobicContact CD1-CG1 4.43Å; L339-V381 HydrophobicContact CD2-CB 4.18Å; L339-V381 HydrophobicContact CD2-CG1 4.41Å; L339-V381 HydrophobicContact CD2-CG2 4.03Å
340C96.1Very high96Very high35 Ų3549.2 Ų49.224%0.23626%0.257CS..Hα-helixtrans-59.3-46.6175.4-177.40000111.1Q336 D337 R342 S344 I345Q336-C340 WeakPolarHBondContact O-CB 3.19Å; Q336-C340 PolarHBondContact O-N 3.15Å; D337-C340 WeakPolarHBondContact O-CB 3.17Å; D337-C340 PolarHBondContact O-N 2.69Å; D337-C340 VanDerWaalsContact O-N 3.11Å; C340-R342 PolarHBondContact O-N 3.25Å; C340-S344 WeakPolarHBondContact O-CA 3.47Å; C340-S344 PolarHBondContact O-N 3.18Å; C340-I345 WeakPolarHBondContact CA-O 3.31Å; C340-I345 PolarHBondContact SG-O 2.52Å; C340-I345 VanDerWaalsContact SG-O 3.33Å
341R94.4Very high95.9Very high177 Ų17748.8 Ų48.867%0.66825%0.254SS*.Hα-helixtrans-62.2-28.7178.3-65.5178.1-162.4-163.33.8113D337 L338 L339D337-R341 WeakPolarHBondContact O-CG 3.27Å; D337-R341 PolarHBondContact O-N 3.34Å; D337-R341 IonicContact OD1-NE 3.58Å; D337-R341 IonicContact OD2-CZ 3.1Å; D337-R341 IonicContact OD2-NE 2.71Å; D337-R341 PolarHBondContact OD2-NE 2.71Å; D337-R341 IonicContact OD2-NH2 3.79Å; D337-R341 PolarHBondContact OD2-NH2 2.91Å; L338-R341 PolarHBondContact O-N 2.72Å; L339-R341 PolarHBondContact O-N 2.84Å
342R93.2Very high95.8Very high88 Ų8846.9 Ų46.933%0.33224%0.242SC..Hα-helixtrans-87.8-37.9-178.5-68.2-59.5-173162.410114.2K271 G272 S275 I324 L338 L339 C340K271-R342 PolarHBondContact O-NH1 3.19Å; K271-R342 PolarHBondContact O-NH2 3.37Å; G272-R342 PolarHBondContact O-NH2 2.95Å; S275-R342 PolarHBondContact OG-NH2 3.5Å; I324-R342 HydrophobicContact CD1-CG 4.05Å; L338-R342 WeakPolarHBondContact O-CG 3.48Å; L338-R342 PolarHBondContact O-N 3.3Å; L339-R342 PolarHBondContact O-N 3.22Å; C340-R342 PolarHBondContact O-N 3.25Å
343T95.3Very high95.8Very high1 Ų147.2 Ų47.21%0.00624%0.244CC..Hα-helixtrans-98.8-15.1-17559.20000112.2Q318 L339 I345Q318-T343 PolarHBondContact NE2-O 2.79Å; L339-T343 HydrophobicContact CD1-CG2 3.63Å; L339-T343 HydrophobicContact CG-CG2 4.26Å; L339-T343 WeakPolarHBondContact O-CB 3.37Å; L339-T343 PolarHBondContact O-N 3.44Å; L339-T343 PolarHBondContact O-OG1 3.34Å; T343-I345 PolarHBondContact O-N 2.71Å; T343-I345 WeakPolarHBondContact OG1-CB 3.48Å; T343-I345 PolarHBondContact OG1-N 2.9Å
344S96Very high95.7Very high103 Ų10347.1 Ų47.172%0.7224%0.235SC*.  trans5821.3-167.4-54.40000113.3C340 P346C340-S344 WeakPolarHBondContact O-CA 3.47Å; C340-S344 PolarHBondContact O-N 3.18Å; S344-P346 WeakPolarHBondContact O-CD 3.33Å
345I96.4Very high95.4Very high1 Ų149.9 Ų49.91%0.00525%0.246CC..  trans-94.5115.1175.9-58.8170.4000108.9C340 T343 N349 Q350 V387C340-I345 WeakPolarHBondContact CA-O 3.31Å; C340-I345 PolarHBondContact SG-O 2.52Å; C340-I345 VanDerWaalsContact SG-O 3.33Å; T343-I345 PolarHBondContact O-N 2.71Å; T343-I345 WeakPolarHBondContact OG1-CB 3.48Å; T343-I345 PolarHBondContact OG1-N 2.9Å; I345-N349 HydrophobicContact CG2-CB 4.08Å; I345-Q350 HydrophobicContact CB-CG 4.31Å; I345-Q350 HydrophobicContact CG2-CG 3.75Å; I345-Q350 PolarHBondContact O-NE2 3.47Å; I345-V387 HydrophobicContact CD1-CG2 4.41Å; I345-V387 HydrophobicContact CG1-CG2 4.13Å
346P95.5Very high94.9Very high52 Ų5251.7 Ų51.734%0.33827%0.265SS..  trans-60.2148.2178.9-2434.2000112.9S344 H348 N349 Q350S344-P346 WeakPolarHBondContact O-CD 3.33Å; P346-H348 VanDerWaalsContact C-N 3.3Å; P346-H348 WeakPolarHBondContact CB-CE1 3.46Å; P346-H348 PolarHBondContact O-N 3.24Å; P346-H348 VanDerWaalsContact O-N 3.16Å; P346-N349 WeakPolarHBondContact O-CA 3.46Å; P346-N349 WeakPolarHBondContact O-CB 3.22Å; P346-N349 PolarHBondContact O-N 2.79Å; P346-Q350 PolarHBondContact O-N 3.24Å
347L93.3Very high94.6Very high93 Ų9359.5 Ų59.549%0.48729%0.293SS..G310 helixtrans-50.3-43.9-176-166.6119.2000113.9Q336 N349 Q350Q336-L347 HydrophobicContact CB-CD1 3.45Å; Q336-L347 VanDerWaalsContact CB-CD1 3.45Å; Q336-L347 HydrophobicContact CB-CG 4.4Å; Q336-L347 HydrophobicContact CG-CD1 4.42Å; L347-N349 PolarHBondContact O-N 2.86Å; L347-Q350 PolarHBondContact O-N 2.77Å
348H92.7Very high94.5Very high139 Ų13961 Ų6164%0.64429%0.294SS*.G310 helixtrans-68.6-15.7-179.960.6-91.7000114.1P346P346-H348 VanDerWaalsContact C-N 3.3Å; P346-H348 WeakPolarHBondContact CB-CE1 3.46Å; P346-H348 PolarHBondContact O-N 3.24Å; P346-H348 VanDerWaalsContact O-N 3.16Å
349N94.8Very high94.5Very high21 Ų2160.5 Ų60.511%0.11229%0.292CS..G310 helixtrans-99.5-9.7177.4-71.8-22.3000113I345 P346 L347 E351 S383 R384 E385I345-N349 HydrophobicContact CG2-CB 4.08Å; P346-N349 WeakPolarHBondContact O-CA 3.46Å; P346-N349 WeakPolarHBondContact O-CB 3.22Å; P346-N349 PolarHBondContact O-N 2.79Å; L347-N349 PolarHBondContact O-N 2.86Å; N349-E351 PolarHBondContact O-N 3.23Å; N349-S383 VanDerWaalsContact O-CA 3.3Å; N349-S383 WeakPolarHBondContact O-CA 3.32Å; N349-R384 PolarHBondContact O-N 3.02Å; N349-E385 WeakPolarHBondContact ND2-CG 3.29Å
350Q95.4Very high94.4Very high18 Ų1866.4 Ų66.48%0.08433%0.327CS..EExtended strand (participates in β ladder)trans-76.3116.3-179.2-65.7175.715.800110.8Q336 I345 P346 L347 V381Q336-Q350 PolarHBondContact O-NE2 3.38Å; Q336-Q350 VanDerWaalsContact O-NE2 3.12Å; I345-Q350 HydrophobicContact CB-CG 4.31Å; I345-Q350 HydrophobicContact CG2-CG 3.75Å; I345-Q350 PolarHBondContact O-NE2 3.47Å; P346-Q350 PolarHBondContact O-N 3.24Å; L347-Q350 PolarHBondContact O-N 2.77Å; Q350-V381 HydrophobicContact CB-CG2 4.32Å; Q350-V381 HydrophobicContact CG-CG2 4.38Å
351E95.6Very high94.3Very high17 Ų1765.3 Ų65.38%0.07932%0.319CS..EExtended strand (participates in β ladder)trans-109.9117.2167.3-170.2171-149.700108.8N349 R358 V381 V382 L449 R627N349-E351 PolarHBondContact O-N 3.23Å; E351-R358 IonicContact OE1-CZ 3.1Å; E351-R358 IonicContact OE1-NE 2.87Å; E351-R358 PolarHBondContact OE1-NE 3.46Å; E351-R358 VanDerWaalsContact OE1-NE 3.1Å; E351-R358 IonicContact OE1-NH2 2.82Å; E351-R358 PolarHBondContact OE1-NH2 3.43Å; E351-V381 WeakPolarHBondContact O-CA 3.41Å; E351-V382 WeakPolarHBondContact CB-O 3.49Å; E351-V382 PolarHBondContact N-O 2.83Å; E351-V382 PolarHBondContact O-N 2.64Å; E351-L449 HydrophobicContact CG-CD2 4.41Å; E351-L449 WeakPolarHBondContact OE1-CD2 3.37Å; E351-R627 IonicContact OE2-CZ 2.71Å; E351-R627 IonicContact OE2-NH1 3.3Å; E351-R627 PolarHBondContact OE2-NH1 2.91Å; E351-R627 IonicContact OE2-NH2 2.65Å; E351-R627 PolarHBondContact OE2-NH2 2.9Å
352L97.3Very high94.3Very high8 Ų861.3 Ų61.34%0.04231%0.311CS..EExtended strand (participates in β ladder)trans-96.5137.5-178.2-56.9179000110.1F335 L339 L359 L361 I379 M380 V381F335-L352 HydrophobicContact CE1-CD1 4.21Å; L339-L352 HydrophobicContact CD2-CD2 3.95Å; L352-L359 HydrophobicContact CB-CB 4.04Å; L352-L359 PolarHBondContact O-N 3.18Å; L352-L361 HydrophobicContact CD1-CD1 3.78Å; L352-L361 HydrophobicContact CD1-CG 4.33Å; L352-I379 HydrophobicContact CB-CG2 4.17Å; L352-I379 HydrophobicContact CD2-CG2 4.1Å; L352-M380 CarbonylContact C-O 3.56Å; L352-M380 WeakPolarHBondContact CA-O 3.36Å; L352-V381 HydrophobicContact CD2-CB 3.92Å; L352-V381 HydrophobicContact CD2-CG2 3.9Å
353L96.6Very high94.4Very high7 Ų760.4 Ų60.44%0.03732%0.317CS..EExtended strand (participates in β ladder)trans-127.7145171.1-50.587.8000110.7R357 I379 M380 V382 L449L353-R357 CarbonylContact C-O 3.6Å; L353-R357 WeakPolarHBondContact CA-O 3.33Å; L353-R357 WeakPolarHBondContact CB-O 3.14Å; L353-I379 CarbonylContact O-C 3.52Å; L353-M380 HydrophobicContact CB-CB 4.18Å; L353-M380 HydrophobicContact CD1-CB 4.34Å; L353-M380 PolarHBondContact N-O 2.84Å; L353-M380 PolarHBondContact O-N 2.88Å; L353-V382 HydrophobicContact CD1-CB 4.45Å; L353-V382 HydrophobicContact CD1-CG2 3.69Å; L353-L449 HydrophobicContact CD2-CB 4.32Å; L353-L449 HydrophobicContact CD2-CD2 3.9Å; L353-L449 HydrophobicContact CG-CD2 4.44Å
354Y96.4Very high94.5Very high39 Ų3966.3 Ų66.315%0.15335%0.348CS..EExtended strand (participates in β ladder)trans-138.4129.2171.3-176.4-99.2000108.6G356 R357 P371 K372 T373 N377 I379Y354-G356 PolarHBondContact O-N 2.9Å; Y354-G356 VanDerWaalsContact O-N 3.15Å; Y354-R357 PolarHBondContact N-O 2.96Å; Y354-R357 PolarHBondContact O-N 2.98Å; Y354-P371 HydrophobicContact CD1-CB 3.78Å; Y354-P371 HydrophobicContact CD1-CG 4.2Å; Y354-P371 HydrophobicContact CD2-CB 4.09Å; Y354-P371 HydrophobicContact CD2-CG 4.06Å; Y354-P371 HydrophobicContact CE1-CB 3.54Å; Y354-P371 HydrophobicContact CE1-CG 4.4Å; Y354-P371 HydrophobicContact CE2-CB 3.87Å; Y354-P371 HydrophobicContact CE2-CG 4.27Å; Y354-P371 HydrophobicContact CG-CB 4.03Å; Y354-P371 HydrophobicContact CG-CG 4.01Å; Y354-K372 PolarHBondContact OH-O 3.33Å; Y354-T373 HydrophobicContact CE2-CG2 4.2Å; Y354-N377 PolarHBondContact OH-ND2 3.32Å; Y354-I379 HydrophobicContact CD2-CG1 3.92Å
355E91.9Very high94.5Very high122 Ų12265.8 Ų65.857%0.5733%0.33SS*.THydrogen-bonded Turntrans50.539.6-178-63.9-175.7161.200114.1R357 N377E355-R357 VanDerWaalsContact C-N 3.32Å; E355-R357 PolarHBondContact O-N 3.42Å; E355-N377 PolarHBondContact OE1-ND2 3.18Å
356G85.6Confident94.6Very high38 Ų3869 Ų6939%0.39235%0.345SS..THydrogen-bonded Turntrans81.91.5176.900000115.2Y354Y354-G356 PolarHBondContact O-N 2.9Å; Y354-G356 VanDerWaalsContact O-N 3.15Å
357R91.3Very high94.6Very high193 Ų19367.1 Ų67.173%0.72833%0.334SS*.EExtended strand (participates in β ladder)trans-114.9153.5179.8-60.4-175.9-178.1-162.7-0.8111.9L353 Y354 E355 L359L353-R357 CarbonylContact C-O 3.6Å; L353-R357 WeakPolarHBondContact CA-O 3.33Å; L353-R357 WeakPolarHBondContact CB-O 3.14Å; Y354-R357 PolarHBondContact N-O 2.96Å; Y354-R357 PolarHBondContact O-N 2.98Å; E355-R357 VanDerWaalsContact C-N 3.32Å; E355-R357 PolarHBondContact O-N 3.42Å; R357-L359 PolarHBondContact O-N 2.92Å
358R94.4Very high94.8Very high90 Ų9068.2 Ų68.234%0.3433%0.334SS..EExtended strand (participates in β ladder)trans-57.7127.1170.1-75-177.6157133.513.9110.5E351 L449 D453E351-R358 IonicContact OE1-CZ 3.1Å; E351-R358 IonicContact OE1-NE 2.87Å; E351-R358 PolarHBondContact OE1-NE 3.46Å; E351-R358 VanDerWaalsContact OE1-NE 3.1Å; E351-R358 IonicContact OE1-NH2 2.82Å; E351-R358 PolarHBondContact OE1-NH2 3.43Å; R358-L449 HydrophobicContact CG-CD1 3.35Å; R358-L449 VanDerWaalsContact CZ-CD1 3.46Å; R358-L449 VanDerWaalsContact NE-CD1 3.26Å; R358-D453 IonicContact CZ-OD1 3.59Å; R358-D453 IonicContact NH1-OD1 3.87Å; R358-D453 PolarHBondContact NH1-OD1 3.45Å; R358-D453 VanDerWaalsContact NH2-CG 3.26Å; R358-D453 IonicContact NH2-OD1 3.67Å; R358-D453 PolarHBondContact NH2-OD1 3.36Å; R358-D453 IonicContact NH2-OD2 2.69Å; R358-D453 PolarHBondContact NH2-OD2 2.9Å; R358-D453 VanDerWaalsContact NH2-OD2 3.1Å
359L95.9Very high95Very high29 Ų2964.5 Ų64.515%0.15232%0.322CS..  trans-102.6100.9173179.364.3000109.1L352 R357 L361 P371 I379L352-L359 HydrophobicContact CB-CB 4.04Å; L352-L359 PolarHBondContact O-N 3.18Å; R357-L359 PolarHBondContact O-N 2.92Å; L359-L361 HydrophobicContact CD1-CD2 3.89Å; L359-L361 HydrophobicContact CD2-CD1 4.47Å; L359-L361 HydrophobicContact CD2-CD2 4.13Å; L359-L361 HydrophobicContact CD2-CG 4.34Å; L359-L361 HydrophobicContact CG-CD2 3.89Å; L359-L361 HydrophobicContact CG-CG 4.09Å; L359-P371 HydrophobicContact CD1-CG 4.43Å; L359-P371 HydrophobicContact CD2-CG 4.04Å; L359-I379 HydrophobicContact CD2-CD1 3.8Å; L359-I379 HydrophobicContact CD2-CG1 3.95Å; L359-I379 HydrophobicContact CD2-CG2 4.16Å
360V94.3Very high95.1Very high123 Ų12364.1 Ų64.175%0.74532%0.319SS*.  trans-90.9120.3171.7-175.40000108.6
361L93.6Very high95.2Very high13 Ų1364.7 Ų64.77%0.06832%0.324CS..  trans-105.4119175.7-60.4177.6000108.8A332 F335 L352 L359 F370A332-L361 HydrophobicContact CB-CB 3.72Å; A332-L361 HydrophobicContact CB-CD1 4.27Å; F335-L361 HydrophobicContact CD1-CD1 4.08Å; F335-L361 HydrophobicContact CE1-CD1 4.15Å; L352-L361 HydrophobicContact CD1-CD1 3.78Å; L352-L361 HydrophobicContact CD1-CG 4.33Å; L359-L361 HydrophobicContact CD1-CD2 3.89Å; L359-L361 HydrophobicContact CD2-CD1 4.47Å; L359-L361 HydrophobicContact CD2-CD2 4.13Å; L359-L361 HydrophobicContact CD2-CG 4.34Å; L359-L361 HydrophobicContact CG-CD2 3.89Å; L359-L361 HydrophobicContact CG-CG 4.09Å; L361-F370 HydrophobicContact CD1-CE1 4.26Å; L361-F370 HydrophobicContact CD1-CZ 4.25Å; L361-F370 HydrophobicContact CD2-CD1 4.22Å; L361-F370 HydrophobicContact CD2-CE1 4.29Å
362D94.7Very high95.2Very high92 Ų9271.7 Ų71.749%0.49235%0.354SS..  trans-57.9132166.5179.3-78000108.9A332 N364 R365A332-D362 VanDerWaalsContact CB-O 3.23Å; A332-D362 WeakPolarHBondContact CB-O 3.48Å; D362-N364 PolarHBondContact O-N 3.17Å; D362-N364 WeakPolarHBondContact OD1-CA 3.22Å; D362-N364 WeakPolarHBondContact OD1-CB 3.06Å; D362-N364 PolarHBondContact OD1-N 3.42Å; D362-R365 HydrophobicContact CB-CB 4.21Å; D362-R365 WeakPolarHBondContact O-CB 3.47Å; D362-R365 PolarHBondContact O-N 3.47Å
363P95.6Very high95.2Very high70 Ų7072.5 Ų72.546%0.45536%0.36SS..THydrogen-bonded Turntrans-54.2-27.5-176-28.935.8000114.8T331 A332 A333T331-P363 VanDerWaalsContact CB-O 3.3Å; T331-P363 WeakPolarHBondContact CB-O 3.32Å; A332-P363 PolarHBondContact N-O 3.48Å; A333-P363 HydrophobicContact CB-CB 4.35Å; A333-P363 PolarHBondContact N-O 3.38Å; A333-P363 VanDerWaalsContact N-O 3.08Å
364N96.9Very high95.2Very high124 Ų12474.5 Ų74.566%0.66338%0.375SS*.THydrogen-bonded Turntrans-93.3-5.1179.7-58.2-53.4000113.2D362 Q366D362-N364 PolarHBondContact O-N 3.17Å; D362-N364 WeakPolarHBondContact OD1-CA 3.22Å; D362-N364 WeakPolarHBondContact OD1-CB 3.06Å; D362-N364 PolarHBondContact OD1-N 3.42Å; N364-Q366 PolarHBondContact O-N 2.77Å
365R96.8Very high95.2Very high93 Ų9376.2 Ų76.235%0.35138%0.381SS..  trans-60.5128.8177.1-174.7172.6-178.9170.51.3110.2T331 A332 D362 T369 F370T331-R365 CarbonylContact C-O 3.55Å; T331-R365 WeakPolarHBondContact CA-O 3.04Å; A332-R365 HydrophobicContact CB-CB 4.44Å; A332-R365 PolarHBondContact N-O 3.09Å; D362-R365 HydrophobicContact CB-CB 4.21Å; D362-R365 WeakPolarHBondContact O-CB 3.47Å; D362-R365 PolarHBondContact O-N 3.47Å; R365-T369 WeakPolarHBondContact CG-OG1 3.44Å; R365-T369 PolarHBondContact NE-O 3.33Å; R365-T369 PolarHBondContact NE-OG1 3.07Å; R365-T369 VanDerWaalsContact NE-OG1 3.1Å; R365-T369 PolarHBondContact NH2-O 3.47Å; R365-F370 HydrophobicContact CG-CD1 4.42Å; R365-F370 HydrophobicContact CG-CE1 4.21Å
366Q97.8Very high95.3Very high69 Ų6975.3 Ų75.332%0.32238%0.38SS..BIsolated β-bridgetrans-78.1144.8-179.7-69.3-176.3-21.400112.2N330 N364 K368 T369N330-Q366 CarbonylContact O-C 3.59Å; N330-Q366 VanDerWaalsContact O-CA 3.29Å; N330-Q366 WeakPolarHBondContact O-CA 3.37Å; N364-Q366 PolarHBondContact O-N 2.77Å; Q366-K368 HydrophobicContact CB-CG 4.15Å; Q366-K368 PolarHBondContact O-N 2.96Å; Q366-T369 PolarHBondContact O-N 2.88Å; Q366-T369 PolarHBondContact O-OG1 2.9Å
367A97Very high95.8Very high11 Ų1175 Ų759%0.09137%0.369CS..G310 helixtrans-56.5-34-179.300000113.1I326 E328 N330 T369 F370I326-A367 HydrophobicContact CD1-CB 4.27Å; I326-A367 HydrophobicContact CG1-CB 4.44Å; I326-A367 HydrophobicContact CG2-CB 4.11Å; E328-A367 PolarHBondContact O-N 3.44Å; N330-A367 PolarHBondContact O-N 3.22Å; A367-T369 PolarHBondContact O-N 3.5Å; A367-F370 HydrophobicContact CB-CD2 4.24Å; A367-F370 HydrophobicContact CB-CE2 3.99Å; A367-F370 HydrophobicContact CB-CZ 4.22Å; A367-F370 VanDerWaalsContact O-CB 3.27Å; A367-F370 WeakPolarHBondContact O-CB 3.34Å; A367-F370 WeakPolarHBondContact O-CG 3.4Å; A367-F370 PolarHBondContact O-N 3.08Å
368K96.4Very high96.2Very high116 Ų11665.8 Ų65.850%0.50433%0.334SS..G310 helixtrans-55.8-25.6174.777.2-170.1-170.4-162.90114.4E328 Q366E328-K368 HydrophobicContact CB-CB 3.98Å; E328-K368 HydrophobicContact CG-CB 4.4Å; E328-K368 PolarHBondContact O-N 2.88Å; Q366-K368 HydrophobicContact CB-CG 4.15Å; Q366-K368 PolarHBondContact O-N 2.96Å
369T96.8Very high96.4Very high61 Ų6161.5 Ų61.537%0.37432%0.318SS..G310 helixtrans-96.70.9-178.271.20000113R365 Q366 A367R365-T369 WeakPolarHBondContact CG-OG1 3.44Å; R365-T369 PolarHBondContact NE-O 3.33Å; R365-T369 PolarHBondContact NE-OG1 3.07Å; R365-T369 VanDerWaalsContact NE-OG1 3.1Å; R365-T369 PolarHBondContact NH2-O 3.47Å; Q366-T369 PolarHBondContact O-N 2.88Å; Q366-T369 PolarHBondContact O-OG1 2.9Å; A367-T369 PolarHBondContact O-N 3.5Å
370F97.3Very high96.5Very high14 Ų1460.7 Ų60.76%0.06131%0.314CS..SBendtrans-64.4156.8175.4-69.90.7000110.7V311 A332 F335 L361 R365 A367V311-F370 HydrophobicContact CG2-CD2 4.13Å; A332-F370 HydrophobicContact CB-CE1 4.15Å; A332-F370 HydrophobicContact CB-CZ 4.02Å; F335-F370 HydrophobicContact CB-CE2 3.86Å; F335-F370 HydrophobicContact CB-CZ 4.07Å; F335-F370 HydrophobicContact CD1-CE2 4.01Å; F335-F370 HydrophobicContact CD1-CZ 4.41Å; F335-F370 HydrophobicContact CD2-CE2 4.02Å; F335-F370 AromaticContact CG-CE2 3.68Å; F335-F370 HydrophobicContact CG-CE2 3.68Å; F335-F370 HydrophobicContact CG-CZ 4.25Å; L361-F370 HydrophobicContact CD1-CE1 4.26Å; L361-F370 HydrophobicContact CD1-CZ 4.25Å; L361-F370 HydrophobicContact CD2-CD1 4.22Å; L361-F370 HydrophobicContact CD2-CE1 4.29Å; R365-F370 HydrophobicContact CG-CD1 4.42Å; R365-F370 HydrophobicContact CG-CE1 4.21Å; A367-F370 HydrophobicContact CB-CD2 4.24Å; A367-F370 HydrophobicContact CB-CE2 3.99Å; A367-F370 HydrophobicContact CB-CZ 4.22Å; A367-F370 VanDerWaalsContact O-CB 3.27Å; A367-F370 WeakPolarHBondContact O-CB 3.34Å; A367-F370 WeakPolarHBondContact O-CG 3.4Å; A367-F370 PolarHBondContact O-N 3.08Å
371P96.5Very high96.6Very high29 Ų2954.9 Ų54.919%0.18828%0.278CS..PPolyproline II helixtrans-56146.9170.124.5-34000110.7Y354 L359 T373 I379Y354-P371 HydrophobicContact CD1-CB 3.78Å; Y354-P371 HydrophobicContact CD1-CG 4.2Å; Y354-P371 HydrophobicContact CD2-CB 4.09Å; Y354-P371 HydrophobicContact CD2-CG 4.06Å; Y354-P371 HydrophobicContact CE1-CB 3.54Å; Y354-P371 HydrophobicContact CE1-CG 4.4Å; Y354-P371 HydrophobicContact CE2-CB 3.87Å; Y354-P371 HydrophobicContact CE2-CG 4.27Å; Y354-P371 HydrophobicContact CG-CB 4.03Å; Y354-P371 HydrophobicContact CG-CG 4.01Å; L359-P371 HydrophobicContact CD1-CG 4.43Å; L359-P371 HydrophobicContact CD2-CG 4.04Å; P371-T373 PolarHBondContact O-N 2.93Å; P371-I379 HydrophobicContact CG-CD1 4.17Å; P371-I379 HydrophobicContact CG-CG1 4.32Å
372K96.4Very high96.8Very high164 Ų16454.3 Ų54.371%0.71328%0.276SS*.PPolyproline II helixtrans-72.3118.3177-67-63.6-175.1-176.90109.2Y354Y354-K372 PolarHBondContact OH-O 3.33Å
373T97.8Very high96.8Very high25 Ų2550.1 Ų50.115%0.15325%0.253CS..  trans-107.2151.1-178.558.40000111.4V311 Y312 Y354 P371 N377 I379V311-T373 HydrophobicContact CG1-CG2 4.21Å; Y312-T373 WeakPolarHBondContact CD2-O 3.31Å; Y312-T373 PolarHBondContact N-OG1 2.89Å; Y354-T373 HydrophobicContact CE2-CG2 4.2Å; P371-T373 PolarHBondContact O-N 2.93Å; T373-N377 WeakPolarHBondContact CA-O 3.37Å; T373-I379 HydrophobicContact CG2-CD1 3.92Å; T373-I379 HydrophobicContact CG2-CG1 3.7Å
374S96.9Very high96.5Very high50 Ų5053.6 Ų53.635%0.3526%0.257SS..  trans-138.3176.9171.169.70000110.5Y312 D376 N377Y312-S374 WeakPolarHBondContact CB-O 3.19Å; Y312-S374 VanDerWaalsContact CG-C 3.48Å; S374-D376 PolarHBondContact O-N 2.99Å; S374-D376 PolarHBondContact OG-N 2.98Å; S374-N377 PolarHBondContact N-O 3.47Å; S374-N377 VanDerWaalsContact N-O 3.14Å; S374-N377 CarbonylContact O-C 3.54Å; S374-N377 VanDerWaalsContact O-C 3.22Å; S374-N377 PolarHBondContact O-N 2.85Å; S374-N377 PolarHBondContact OG-N 3.49Å; S374-N377 VanDerWaalsContact OG-N 3.11Å
375R95Very high96.3Very high75 Ų7552.6 Ų52.628%0.28325%0.249SC..SBendtrans-53.1-40.2173.7-175.5179.4-179.6-166.6-1.9112.4Y312 L321 E430 S431 V434Y312-R375 HydrophobicContact CD1-CB 4.47Å; Y312-R375 HydrophobicContact CE1-CB 4.3Å; L321-R375 HydrophobicContact CD2-CG 3.89Å; R375-E430 IonicContact CZ-OE2 3.53Å; R375-E430 IonicContact NH1-OE2 3.95Å; R375-E430 PolarHBondContact NH1-OE2 3.48Å; R375-E430 IonicContact NH2-OE2 2.76Å; R375-S431 PolarHBondContact NH2-OG 3.36Å; R375-V434 HydrophobicContact CG-CG1 4.29Å
376D94.6Very high96Very high103 Ų10352.8 Ų52.855%0.55126%0.26SS*.SBendtrans-93.5-16.3-177.1-50.4-54.3000113.3S374 P378S374-D376 PolarHBondContact O-N 2.99Å; S374-D376 PolarHBondContact OG-N 2.98Å; D376-P378 VanDerWaalsContact C-CD 3.41Å
377N96.7Very high95.8Very high30 Ų3051 Ų5116%0.1625%0.254CS..SBendtrans-127.766.4174.9-161.726.4000112.2Y354 E355 T373 S374 K441Y354-N377 PolarHBondContact OH-ND2 3.32Å; E355-N377 PolarHBondContact OE1-ND2 3.18Å; T373-N377 WeakPolarHBondContact CA-O 3.37Å; S374-N377 PolarHBondContact N-O 3.47Å; S374-N377 VanDerWaalsContact N-O 3.14Å; S374-N377 CarbonylContact O-C 3.54Å; S374-N377 VanDerWaalsContact O-C 3.22Å; S374-N377 PolarHBondContact O-N 2.85Å; S374-N377 PolarHBondContact OG-N 3.49Å; S374-N377 VanDerWaalsContact OG-N 3.11Å; N377-K441 PolarHBondContact OD1-NZ 3.36Å
378P98.3Very high95.6Very high1 Ų154.1 Ų54.11%0.00628%0.28CS..PPolyproline II helixtrans-81163177.633.9-35.8000111.9Y312 F314 L321 D376 M380 L438Y312-P378 WeakPolarHBondContact O-CA 3.46Å; Y312-P378 WeakPolarHBondContact O-CB 3.46Å; F314-P378 HydrophobicContact CB-CB 4.1Å; F314-P378 HydrophobicContact CB-CG 3.67Å; L321-P378 HydrophobicContact CD1-CB 4.05Å; L321-P378 HydrophobicContact CD1-CG 4.33Å; D376-P378 VanDerWaalsContact C-CD 3.41Å; P378-M380 HydrophobicContact CG-CE 4.19Å; P378-L438 VanDerWaalsContact CD-CD2 3.44Å; P378-L438 HydrophobicContact CG-CD1 4.21Å; P378-L438 HydrophobicContact CG-CD2 3.63Å
379I98.5Very high95.6Very high0 Ų050.3 Ų50.30%027%0.266CS..EExtended strand (participates in β ladder)trans-67.8128.9159.3-68164.4000107.6V311 Y312 V313 F314 F335 L352 L353 Y354 L359 P371 T373V311-I379 HydrophobicContact CG1-CD1 3.89Å; Y312-I379 PolarHBondContact O-N 3.49Å; V313-I379 CarbonylContact C-O 3.51Å; V313-I379 WeakPolarHBondContact CA-O 3.19Å; V313-I379 WeakPolarHBondContact CG1-O 3.4Å; V313-I379 HydrophobicContact CG2-CB 4.49Å; F314-I379 PolarHBondContact N-O 2.76Å; F335-I379 HydrophobicContact CZ-CD1 4.41Å; L352-I379 HydrophobicContact CB-CG2 4.17Å; L352-I379 HydrophobicContact CD2-CG2 4.1Å; L353-I379 CarbonylContact O-C 3.52Å; Y354-I379 HydrophobicContact CD2-CG1 3.92Å; L359-I379 HydrophobicContact CD2-CD1 3.8Å; L359-I379 HydrophobicContact CD2-CG1 3.95Å; L359-I379 HydrophobicContact CD2-CG2 4.16Å; P371-I379 HydrophobicContact CG-CD1 4.17Å; P371-I379 HydrophobicContact CG-CG1 4.32Å; T373-I379 HydrophobicContact CG2-CD1 3.92Å; T373-I379 HydrophobicContact CG2-CG1 3.7Å
380M98.2Very high95.5Very high12 Ų1251 Ų516%0.05927%0.27CS..EExtended strand (participates in β ladder)trans-84.9134172.9-61.4-70.717600109.1F314 L352 L353 P378 L438 K441F314-M380 HydrophobicContact CB-SD 3.81Å; F314-M380 HydrophobicContact CD1-CE 4.44Å; F314-M380 HydrophobicContact CD1-SD 3.68Å; F314-M380 HydrophobicContact CG-SD 4.16Å; F314-M380 WeakPolarHBondContact O-CA 3.31Å; L352-M380 CarbonylContact C-O 3.56Å; L352-M380 WeakPolarHBondContact CA-O 3.36Å; L353-M380 HydrophobicContact CB-CB 4.18Å; L353-M380 HydrophobicContact CD1-CB 4.34Å; L353-M380 PolarHBondContact N-O 2.84Å; L353-M380 PolarHBondContact O-N 2.88Å; P378-M380 HydrophobicContact CG-CE 4.19Å; M380-L438 HydrophobicContact CE-CB 4.33Å; M380-L438 HydrophobicContact CE-CD2 4.08Å; M380-L438 WeakPolarHBondContact CE-O 3.47Å; M380-K441 HydrophobicContact CE-CB 4.26Å; M380-K441 HydrophobicContact CE-CD 4.31Å; M380-K441 HydrophobicContact CE-CG 4.27Å
381V97.8Very high95.5Very high0 Ų050.6 Ų50.60%027%0.269CS..EExtended strand (participates in β ladder)trans-113.3133.4167.463.70000110V313 F314 L316 L339 Q350 E351 L352V313-V381 HydrophobicContact CG1-CB 4.11Å; V313-V381 HydrophobicContact CG1-CG1 3.77Å; F314-V381 PolarHBondContact O-N 3.01Å; L316-V381 PolarHBondContact N-O 3.43Å; L339-V381 HydrophobicContact CD1-CG1 4.43Å; L339-V381 HydrophobicContact CD2-CB 4.18Å; L339-V381 HydrophobicContact CD2-CG1 4.41Å; L339-V381 HydrophobicContact CD2-CG2 4.03Å; Q350-V381 HydrophobicContact CB-CG2 4.32Å; Q350-V381 HydrophobicContact CG-CG2 4.38Å; E351-V381 WeakPolarHBondContact O-CA 3.41Å; L352-V381 HydrophobicContact CD2-CB 3.92Å; L352-V381 HydrophobicContact CD2-CG2 3.9Å
382V96.1Very high95.4Very high2 Ų251 Ų511%0.01227%0.27CS..EExtended strand (participates in β ladder)trans-126.6132176.2-173.20000108L316 E351 L353 L446L316-V382 HydrophobicContact CB-CG2 4.1Å; L316-V382 HydrophobicContact CD2-CG2 4.01Å; E351-V382 WeakPolarHBondContact CB-O 3.49Å; E351-V382 PolarHBondContact N-O 2.83Å; E351-V382 PolarHBondContact O-N 2.64Å; L353-V382 HydrophobicContact CD1-CB 4.45Å; L353-V382 HydrophobicContact CD1-CG2 3.69Å; V382-L446 HydrophobicContact CG1-CD1 4.3Å; V382-L446 HydrophobicContact CG1-CD2 4.32Å
383S95Very high95.2Very high3 Ų349 Ų492%0.02127%0.266CS..EExtended strand (participates in β ladder)trans-82.3145171.2-171.20000110.6Q317 N349 E385Q317-S383 VanDerWaalsContact OE1-CA 3.31Å; N349-S383 VanDerWaalsContact O-CA 3.3Å; N349-S383 WeakPolarHBondContact O-CA 3.32Å; S383-E385 WeakPolarHBondContact CB-O 3.45Å; S383-E385 PolarHBondContact OG-N 2.92Å; S383-E385 VanDerWaalsContact OG-N 3.11Å; S383-E385 PolarHBondContact OG-O 2.92Å
384R90.4Very high94.9Very high143 Ų14349.7 Ų49.754%0.5427%0.266SS..SBendtrans-68.3-26.8166-64.6-178.9178.6-145.3-3.6112.2N349 H624N349-R384 PolarHBondContact O-N 3.02Å; R384-H624 PolarHBondContact O-ND1 2.96Å
385E91.1Very high94.4Very high104 Ų10452.1 Ų52.149%0.48627%0.273SS..SBendtrans-96.9167179.7-68.1-61156.100112.4Q317 N349 S383Q317-E385 PolarHBondContact NE2-O 3.46Å; N349-E385 WeakPolarHBondContact ND2-CG 3.29Å; S383-E385 WeakPolarHBondContact CB-O 3.45Å; S383-E385 PolarHBondContact OG-N 2.92Å; S383-E385 VanDerWaalsContact OG-N 3.11Å; S383-E385 PolarHBondContact OG-O 2.92Å
386V90.7Very high93.9Very high97 Ų9751.8 Ų51.859%0.58828%0.276SS*.  trans-70.6132.2173-177.10000109.6H624V386-H624 HydrophobicContact CG2-CB 4.45Å
387V93.6Very high93.4Very high32 Ų3247.9 Ų47.919%0.19426%0.256CS..  trans-128.3143.1176.7-173.70000108.2Q317 Q318 I345 T389Q317-V387 HydrophobicContact CB-CB 4.33Å; Q318-V387 HydrophobicContact CG-CG1 3.57Å; I345-V387 HydrophobicContact CD1-CG2 4.41Å; I345-V387 HydrophobicContact CG1-CG2 4.13Å; V387-T389 PolarHBondContact O-N 3.3Å
388A93.8Very high92.7Very high76 Ų7651.7 Ų51.763%0.62829%0.286SS*.  trans-64.1132.6178.100000110.9Q318Q318-A388 WeakPolarHBondContact CG-O 3.4Å
389T95.9Very high92Very high36 Ų3654.8 Ų54.822%0.22131%0.306CS..  trans-74134.6171.1-61.30000110Q317 V387 I613 E617Q317-T389 WeakPolarHBondContact O-CA 3.41Å; Q317-T389 PolarHBondContact O-OG1 3.35Å; V387-T389 PolarHBondContact O-N 3.3Å; T389-I613 HydrophobicContact CG2-CG2 3.33Å; T389-E617 HydrophobicContact CG2-CB 4.5Å; T389-E617 WeakPolarHBondContact OG1-CG 3.36Å
390V95.5Very high91.5Very high76 Ų7656.4 Ų56.446%0.46132%0.316SS..  trans-115.4-53.1-176.4-177.30000110.6Q318 T320 I393Q318-V390 HydrophobicContact CB-CG2 4.38Å; Q318-V390 PolarHBondContact O-N 3.43Å; T320-V390 HydrophobicContact CG2-CB 3.93Å; T320-V390 HydrophobicContact CG2-CG1 4.18Å; V390-I393 HydrophobicContact CG1-CD1 4.18Å; V390-I393 HydrophobicContact CG1-CG1 4.37Å
391G95.9Very high90.9Very high4 Ų465.2 Ų65.24%0.04135%0.354CS..  trans76.1-173.5-172.100000113.5Q318 A319 T320 Y609Q318-G391 PolarHBondContact O-N 3.1Å; A319-G391 WeakPolarHBondContact O-CA 3.45Å; T320-G391 WeakPolarHBondContact CG2-O 3.08Å; G391-Y609 WeakPolarHBondContact CA-OH 3.25Å
392L94.8Very high90.6Very high37 Ų3767.4 Ų67.419%0.19437%0.367CS..  trans-76.1124.1173.1-175.366.5000109.1F394 L432 Y435 Y609L392-F394 HydrophobicContact CD2-CD1 4.49Å; L392-F394 HydrophobicContact CG-CD1 4.36Å; L392-F394 WeakPolarHBondContact O-CD1 3.44Å; L392-L432 HydrophobicContact CB-CD2 4.14Å; L392-L432 HydrophobicContact CD2-CD2 3.67Å; L392-L432 HydrophobicContact CD2-CG 4.23Å; L392-L432 HydrophobicContact CG-CD2 4.43Å; L392-Y435 HydrophobicContact CB-CD1 3.96Å; L392-Y435 HydrophobicContact CB-CE1 3.79Å; L392-Y435 HydrophobicContact CD1-CE1 4.04Å; L392-Y435 HydrophobicContact CD1-CE2 4.28Å; L392-Y435 HydrophobicContact CG-CE1 4.49Å; L392-Y609 HydrophobicContact CB-CE1 4.48Å; L392-Y609 PolarHBondContact N-OH 2.92Å
393I92.7Very high90.3Very high123 Ų12372.1 Ų72.163%0.63139%0.389SS*.  trans-88.5125.6172.3-59168.9000107.4V265 V390V265-I393 HydrophobicContact CG1-CG2 3.9Å; V390-I393 HydrophobicContact CG1-CD1 4.18Å; V390-I393 HydrophobicContact CG1-CG1 4.37Å
394F91.6Very high89.9Confident39 Ų3978.4 Ų78.417%0.17143%0.43CS..  trans-148.3157.4178.361.8-88.7000110.2L392 T428 L432 F601 A606L392-F394 HydrophobicContact CD2-CD1 4.49Å; L392-F394 HydrophobicContact CG-CD1 4.36Å; L392-F394 WeakPolarHBondContact O-CD1 3.44Å; F394-T428 HydrophobicContact CB-CG2 3.72Å; F394-T428 HydrophobicContact CD1-CG2 4.24Å; F394-T428 HydrophobicContact CD2-CG2 3.93Å; F394-T428 HydrophobicContact CG-CG2 3.71Å; F394-L432 HydrophobicContact CD1-CD2 4.02Å; F394-L432 HydrophobicContact CE1-CD1 4.37Å; F394-L432 HydrophobicContact CE1-CD2 3.67Å; F394-L432 HydrophobicContact CZ-CD1 4.35Å; F394-L432 HydrophobicContact CZ-CD2 4.43Å; F394-F601 HydrophobicContact CD2-CE1 4.37Å; F394-F601 AromaticContact CD2-CZ 3.91Å; F394-F601 HydrophobicContact CD2-CZ 3.91Å; F394-F601 AromaticContact CE2-CE1 3.88Å; F394-F601 HydrophobicContact CE2-CE1 3.88Å; F394-F601 AromaticContact CE2-CZ 3.63Å; F394-F601 HydrophobicContact CE2-CZ 3.63Å; F394-F601 HydrophobicContact CZ-CZ 4.38Å; F394-A606 HydrophobicContact CE2-CB 4.16Å; F394-A606 HydrophobicContact CZ-CB 3.84Å
395E86.8Confident90Very high102 Ų10280 Ų8048%0.47744%0.436SS..  trans-109.5147.8173.1-76.8-178.917300110.5V265V265-E395 HydrophobicContact CB-CG 4.07Å; V265-E395 HydrophobicContact CG1-CG 3.85Å
396D84Confident90Very high67 Ų6777.9 Ų77.936%0.35842%0.424SS..  trans-102.3106.6167.3-17818.5000108.5S398 R598D396-S398 PolarHBondContact O-N 2.95Å; D396-R598 VanDerWaalsContact CG-NH1 3.26Å; D396-R598 IonicContact OD1-CZ 3.57Å; D396-R598 IonicContact OD1-NH1 2.73Å; D396-R598 PolarHBondContact OD1-NH1 2.9Å; D396-R598 IonicContact OD2-NH1 2.68Å; D396-R598 PolarHBondContact OD2-NH1 3.14Å
397P83.5Confident90.2Very high21 Ų2175.2 Ų75.214%0.13641%0.407CS..PPolyproline II helixtrans-66.1127.4-175.5-18.930.5000111.8Y105 R598Y105-P397 HydrophobicContact CE1-CG 4.26Å; Y105-P397 HydrophobicContact CE2-CG 4.46Å; Y105-P397 WeakPolarHBondContact OH-CB 3.46Å; Y105-P397 WeakPolarHBondContact OH-CG 3.43Å; P397-R598 PolarHBondContact O-NH1 3.06Å; P397-R598 PolarHBondContact O-NH2 2.84Å
398S82.4Confident90.3Very high111 Ų11174.5 Ų74.578%0.77640%0.402SS*.PPolyproline II helixtrans-58.8126.5177.4-55.10000111.5D396D396-S398 PolarHBondContact O-N 2.95Å
399P84.1Confident90.2Very high65 Ų6574.2 Ų74.242%0.42239%0.389SS..PPolyproline II helixtrans-66.4146.1-178.627-32.9000111.3F418P399-F418 HydrophobicContact CB-CE1 3.93Å
400P86.7Confident90Very high34 Ų3475.6 Ų75.622%0.22140%0.395CS..PPolyproline II helixtrans-66.6144.8177.528.1-34.8000111.3V402 Y414 T417 F418P400-V402 PolarHBondContact O-N 3.1Å; P400-Y414 HydrophobicContact CB-CD1 4.13Å; P400-Y414 HydrophobicContact CB-CE1 4.44Å; P400-Y414 HydrophobicContact CG-CD1 4.37Å; P400-T417 HydrophobicContact CG-CG2 3.91Å; P400-F418 HydrophobicContact CG-CD2 4.34Å; P400-F418 HydrophobicContact CG-CE1 4.23Å; P400-F418 HydrophobicContact CG-CE2 3.91Å; P400-F418 HydrophobicContact CG-CZ 3.85Å
401K87.6Confident90Very high198 Ų19872.1 Ų72.186%0.86137%0.374SS*.  trans-75.1105.5171.4-69.1-176.4-178.8178.50109.5Q403K401-Q403 PolarHBondContact O-N 3.19Å
402V89.9Confident89.9Confident46 Ų4672.3 Ų72.328%0.27938%0.375SS..  trans-75.6123179.4-176.80000110.2P400 Y414 F418 K587 V591P400-V402 PolarHBondContact O-N 3.1Å; V402-Y414 HydrophobicContact CG1-CD2 4.04Å; V402-Y414 HydrophobicContact CG1-CE2 4.21Å; V402-Y414 HydrophobicContact CG2-CG 4.39Å; V402-F418 HydrophobicContact CG2-CE2 3.45Å; V402-F418 VanDerWaalsContact CG2-CE2 3.45Å; V402-F418 HydrophobicContact CG2-CZ 3.73Å; V402-K587 VanDerWaalsContact CG1-CE 3.43Å; V402-V591 HydrophobicContact CB-CG2 4.47Å; V402-V591 HydrophobicContact CG2-CG2 3.96Å
403Q90.2Very high89.8Confident101 Ų10173.7 Ų73.747%0.47239%0.388SS..  trans-76141.1173.9-65.7-177.318.900110.9K401 R405 K587K401-Q403 PolarHBondContact O-N 3.19Å; Q403-R405 PolarHBondContact O-N 3.48Å; Q403-K587 WeakPolarHBondContact O-CE 3.22Å; Q403-K587 PolarHBondContact O-NZ 2.83Å
404P87.7Confident89.9Confident135 Ų13569.2 Ų69.288%0.87736%0.363SS*.SBendtrans-66-22.5178.6-2132.1000114
405R92Very high90.1Very high175 Ų17567.4 Ų67.466%0.6636%0.355SS*.SBendtrans-59137.7-179.4-179.4177.2175.2176.8-1110.6Q403 K587Q403-R405 PolarHBondContact O-N 3.48Å; R405-K587 PolarHBondContact O-NZ 2.87Å
406Y91.6Very high90.4Very high61 Ų6166 Ų6624%0.23935%0.347CS..  trans-76120.7169.9169.5-105.3000109.8L408 E580 H583 K584Y406-L408 HydrophobicContact CE2-CD2 3.89Å; Y406-L408 HydrophobicContact CE2-CG 4.45Å; Y406-L408 WeakPolarHBondContact OH-CD2 3.24Å; Y406-E580 HydrophobicContact CD1-CG 4.44Å; Y406-E580 HydrophobicContact CD2-CG 4.38Å; Y406-E580 HydrophobicContact CE1-CG 3.98Å; Y406-E580 HydrophobicContact CE2-CG 3.91Å; Y406-H583 AromaticContact CD2-CD2 3.89Å; Y406-H583 HydrophobicContact CE2-CB 4.45Å; Y406-H583 AromaticContact CE2-CD2 3.56Å; Y406-K584 HydrophobicContact CD2-CG 4.11Å
407D94.9Very high90.9Very high41 Ų4165.5 Ų65.522%0.21935%0.347CS..  trans-157.5109.9-179.9-175.2-58.5000109.5D409 L410 D411D407-D409 PolarHBondContact O-N 2.9Å; D407-D409 PolarHBondContact OD1-N 3.27Å; D407-L410 HydrophobicContact CB-CB 4.02Å; D407-L410 HydrophobicContact CB-CD1 3.99Å; D407-L410 HydrophobicContact CB-CG 4.22Å; D407-L410 PolarHBondContact O-N 3.22Å; D407-L410 PolarHBondContact OD1-N 3.37Å; D407-D411 PolarHBondContact N-OD2 3.17Å; D407-D411 VanDerWaalsContact N-OD2 3.16Å; D407-D411 WeakPolarHBondContact O-CB 3.44Å; D407-D411 PolarHBondContact O-N 3.08Å; D407-D411 VanDerWaalsContact O-OD2 3.13Å
408L94.9Very high91.5Very high17 Ų1764.9 Ų64.99%0.08934%0.342CS..Hα-helixtrans-60.2-32.3-173.6-65.6175.2000113.5Y406 A412 D569 L575Y406-L408 HydrophobicContact CE2-CD2 3.89Å; Y406-L408 HydrophobicContact CE2-CG 4.45Å; Y406-L408 WeakPolarHBondContact OH-CD2 3.24Å; L408-A412 WeakPolarHBondContact O-CB 3.31Å; L408-A412 PolarHBondContact O-N 3.07Å; L408-D569 HydrophobicContact CD2-CB 3.9Å; L408-L575 HydrophobicContact CD2-CD1 3.96Å; L408-L575 HydrophobicContact CD2-CG 4.36Å
409D91.4Very high92.2Very high70 Ų7059.6 Ų59.637%0.37431%0.305SS..Hα-helixtrans-75.4-45.8-179.7-82.7-57.6000111.3D407 S413 K570D407-D409 PolarHBondContact O-N 2.9Å; D407-D409 PolarHBondContact OD1-N 3.27Å; D409-S413 PolarHBondContact O-N 2.89Å; D409-K570 WeakPolarHBondContact OD1-CD 3.36Å; D409-K570 WeakPolarHBondContact OD1-CE 3.02Å; D409-K570 IonicContact OD1-NZ 3.55Å; D409-K570 PolarHBondContact OD1-NZ 2.8Å
410L92.4Very high92.7Very high65 Ų6556.6 Ų56.634%0.3429%0.286SS..Hα-helixtrans-67.7-41.3176.5-68.4174.9000111.6D407 S413 Y414D407-L410 HydrophobicContact CB-CB 4.02Å; D407-L410 HydrophobicContact CB-CD1 3.99Å; D407-L410 HydrophobicContact CB-CG 4.22Å; D407-L410 PolarHBondContact O-N 3.22Å; D407-L410 PolarHBondContact OD1-N 3.37Å; L410-S413 CarbonylContact O-C 3.6Å; L410-S413 WeakPolarHBondContact O-CA 3.46Å; L410-S413 WeakPolarHBondContact O-CB 3.22Å; L410-S413 PolarHBondContact O-N 2.89Å; L410-S413 VanDerWaalsContact O-N 3.11Å; L410-Y414 HydrophobicContact CB-CE2 4.04Å; L410-Y414 VanDerWaalsContact O-CD2 3.23Å; L410-Y414 WeakPolarHBondContact O-CD2 3.38Å; L410-Y414 PolarHBondContact O-N 3.5Å
411D95.4Very high93.1Very high2 Ų255.3 Ų55.31%0.01128%0.277CS..Hα-helixtrans-66.4-43.5-176.6-68.5-25.5000111.1D407 S413 Y414 A415 F566 H583 K587D407-D411 PolarHBondContact N-OD2 3.17Å; D407-D411 VanDerWaalsContact N-OD2 3.16Å; D407-D411 WeakPolarHBondContact O-CB 3.44Å; D407-D411 PolarHBondContact O-N 3.08Å; D407-D411 VanDerWaalsContact O-OD2 3.13Å; D411-S413 VanDerWaalsContact C-N 3.29Å; D411-S413 PolarHBondContact O-N 3.49Å; D411-Y414 PolarHBondContact O-N 3.43Å; D411-A415 WeakPolarHBondContact O-CB 3.35Å; D411-A415 PolarHBondContact O-N 2.92Å; D411-F566 HydrophobicContact CB-CD2 4.08Å; D411-F566 HydrophobicContact CB-CE2 4.03Å; D411-F566 WeakPolarHBondContact O-CD2 3.35Å; D411-H583 IonicContact OD2-NE2 2.91Å; D411-K587 WeakPolarHBondContact OD1-CD 3.33Å; D411-K587 WeakPolarHBondContact OD1-CE 3.09Å; D411-K587 IonicContact OD1-NZ 3.66Å; D411-K587 PolarHBondContact OD1-NZ 2.98Å; D411-K587 IonicContact OD2-NZ 3.24Å; D411-K587 PolarHBondContact OD2-NZ 3.05Å
412A94.1Very high93.5Very high8 Ų845.9 Ų45.97%0.06624%0.237CC..Hα-helixtrans-61.2-37.317100000112.5L408 K416 F566 K570L408-A412 WeakPolarHBondContact O-CB 3.31Å; L408-A412 PolarHBondContact O-N 3.07Å; A412-K416 WeakPolarHBondContact O-CB 3.44Å; A412-K416 PolarHBondContact O-N 3.3Å; A412-F566 HydrophobicContact CB-CB 4.13Å; A412-K570 HydrophobicContact CB-CB 4.3Å; A412-K570 HydrophobicContact CB-CD 3.94Å
413S92.3Very high93.8Very high67 Ų6743.7 Ų43.747%0.46922%0.223SC..Hα-helixtrans-66.5-44.5175.4-169.60000112D409 L410 D411 K416 T417D409-S413 PolarHBondContact O-N 2.89Å; L410-S413 CarbonylContact O-C 3.6Å; L410-S413 WeakPolarHBondContact O-CA 3.46Å; L410-S413 WeakPolarHBondContact O-CB 3.22Å; L410-S413 PolarHBondContact O-N 2.89Å; L410-S413 VanDerWaalsContact O-N 3.11Å; D411-S413 VanDerWaalsContact C-N 3.29Å; D411-S413 PolarHBondContact O-N 3.49Å; S413-K416 WeakPolarHBondContact O-CB 3.5Å; S413-K416 PolarHBondContact O-N 2.89Å; S413-T417 PolarHBondContact O-N 2.65Å; S413-T417 PolarHBondContact O-OG1 2.92Å
414Y94.7Very high94Very high29 Ų2940 Ų4011%0.11421%0.206CC..Hα-helixtrans-61.9-45.2176.4-66.5-44000111.1P400 V402 L410 D411 K416 T417 F418P400-Y414 HydrophobicContact CB-CD1 4.13Å; P400-Y414 HydrophobicContact CB-CE1 4.44Å; P400-Y414 HydrophobicContact CG-CD1 4.37Å; V402-Y414 HydrophobicContact CG1-CD2 4.04Å; V402-Y414 HydrophobicContact CG1-CE2 4.21Å; V402-Y414 HydrophobicContact CG2-CG 4.39Å; L410-Y414 HydrophobicContact CB-CE2 4.04Å; L410-Y414 VanDerWaalsContact O-CD2 3.23Å; L410-Y414 WeakPolarHBondContact O-CD2 3.38Å; L410-Y414 PolarHBondContact O-N 3.5Å; D411-Y414 PolarHBondContact O-N 3.43Å; Y414-K416 VanDerWaalsContact C-N 3.31Å; Y414-K416 PolarHBondContact O-N 3.23Å; Y414-T417 PolarHBondContact O-N 3.21Å; Y414-F418 WeakPolarHBondContact O-CD2 3.4Å; Y414-F418 PolarHBondContact O-N 3.27Å
415A95.5Very high94.3Very high0 Ų033.6 Ų33.60%016%0.164CC..Hα-helixtrans-60.7-40177.700000112.1D411 F418 A419 Y563 F566 L590D411-A415 WeakPolarHBondContact O-CB 3.35Å; D411-A415 PolarHBondContact O-N 2.92Å; A415-F418 PolarHBondContact O-N 3.38Å; A415-A419 VanDerWaalsContact O-CB 3.27Å; A415-A419 WeakPolarHBondContact O-CB 3.2Å; A415-A419 PolarHBondContact O-N 2.99Å; A415-Y563 HydrophobicContact CB-CD2 4.03Å; A415-Y563 HydrophobicContact CB-CG 4.46Å; A415-F566 HydrophobicContact CB-CD2 3.74Å; A415-F566 HydrophobicContact CB-CE2 4.38Å; A415-L590 HydrophobicContact CB-CD1 4.4Å; A415-L590 HydrophobicContact CB-CD2 3.74Å
416K94Very high94.5Very high72 Ų7227.7 Ų27.731%0.31314%0.142SC..Hα-helixtrans-59.2-49.5172.8-171.3179.3176.4178.90111.5E99 A412 S413 Y414 A419 G420 Y563E99-K416 IonicContact OE1-NZ 3.18Å; E99-K416 PolarHBondContact OE1-NZ 3.29Å; E99-K416 WeakPolarHBondContact OE2-CE 3.46Å; E99-K416 IonicContact OE2-NZ 2.86Å; E99-K416 PolarHBondContact OE2-NZ 2.83Å; A412-K416 WeakPolarHBondContact O-CB 3.44Å; A412-K416 PolarHBondContact O-N 3.3Å; S413-K416 WeakPolarHBondContact O-CB 3.5Å; S413-K416 PolarHBondContact O-N 2.89Å; Y414-K416 VanDerWaalsContact C-N 3.31Å; Y414-K416 PolarHBondContact O-N 3.23Å; K416-A419 PolarHBondContact O-N 2.86Å; K416-G420 PolarHBondContact O-N 2.77Å; K416-Y563 HydrophobicContact CB-CD2 4Å; K416-Y563 HydrophobicContact CB-CE2 3.55Å; K416-Y563 HydrophobicContact CG-CE2 4.04Å
417T94.3Very high94.7Very high57 Ų5727 Ų2735%0.3514%0.141SC..Hα-helixtrans-61.5-47.9179.1-57.30000111.5P400 S413 Y414 A419 G420 D421P400-T417 HydrophobicContact CG-CG2 3.91Å; S413-T417 PolarHBondContact O-N 2.65Å; S413-T417 PolarHBondContact O-OG1 2.92Å; Y414-T417 PolarHBondContact O-N 3.21Å; T417-A419 PolarHBondContact O-N 2.96Å; T417-G420 PolarHBondContact O-N 2.99Å; T417-G420 VanDerWaalsContact O-N 3.16Å; T417-D421 VanDerWaalsContact O-CG 3.27Å; T417-D421 PolarHBondContact O-N 3.44Å
418F96.2Very high94.7Very high9 Ų925.6 Ų25.64%0.03913%0.133CC..Hα-helixtrans-61.5-42.5177.8-80-62.5000112.9P399 P400 V402 Y414 A415 G420 D421 V422 I559 L590 V591 A594P399-F418 HydrophobicContact CB-CE1 3.93Å; P400-F418 HydrophobicContact CG-CD2 4.34Å; P400-F418 HydrophobicContact CG-CE1 4.23Å; P400-F418 HydrophobicContact CG-CE2 3.91Å; P400-F418 HydrophobicContact CG-CZ 3.85Å; V402-F418 HydrophobicContact CG2-CE2 3.45Å; V402-F418 VanDerWaalsContact CG2-CE2 3.45Å; V402-F418 HydrophobicContact CG2-CZ 3.73Å; Y414-F418 WeakPolarHBondContact O-CD2 3.4Å; Y414-F418 PolarHBondContact O-N 3.27Å; A415-F418 PolarHBondContact O-N 3.38Å; F418-G420 VanDerWaalsContact C-N 3.29Å; F418-G420 PolarHBondContact O-N 3.24Å; F418-D421 PolarHBondContact O-N 3.22Å; F418-V422 WeakPolarHBondContact O-CB 3.46Å; F418-V422 WeakPolarHBondContact O-CG2 3.4Å; F418-V422 PolarHBondContact O-N 3.04Å; F418-I559 HydrophobicContact CB-CG2 4.39Å; F418-L590 HydrophobicContact CB-CD1 4.05Å; F418-L590 HydrophobicContact CD2-CD1 4.39Å; F418-L590 HydrophobicContact CD2-CD2 3.95Å; F418-L590 HydrophobicContact CD2-CG 3.98Å; F418-L590 HydrophobicContact CG-CG 4.48Å; F418-V591 HydrophobicContact CE2-CG2 4.39Å; F418-V591 HydrophobicContact CZ-CG2 4.46Å; F418-A594 HydrophobicContact CB-CB 4.41Å; F418-A594 HydrophobicContact CD1-CB 3.45Å; F418-A594 VanDerWaalsContact CD1-CB 3.45Å; F418-A594 HydrophobicContact CE1-CB 3.91Å; F418-A594 HydrophobicContact CG-CB 4.09Å
419A95.9Very high94.8Very high0 Ų025 Ų250%013%0.13CC..Hα-helixtrans-62-41.117600000111S101 A415 K416 T417 G423 L556 I559S101-A419 VanDerWaalsContact CB-CB 3.44Å; A415-A419 VanDerWaalsContact O-CB 3.27Å; A415-A419 WeakPolarHBondContact O-CB 3.2Å; A415-A419 PolarHBondContact O-N 2.99Å; K416-A419 PolarHBondContact O-N 2.86Å; T417-A419 PolarHBondContact O-N 2.96Å; A419-G423 PolarHBondContact O-N 3.47Å; A419-L556 WeakPolarHBondContact O-CD1 3.46Å; A419-I559 HydrophobicContact CB-CG2 3.78Å
420G94.8Very high95Very high2 Ų225.2 Ų25.22%0.02113%0.129CC..Hα-helixtrans-62.5-51.8175.200000113.2S101 K416 T417 F418 G423 H424S101-G420 WeakPolarHBondContact O-CA 3.37Å; K416-G420 PolarHBondContact O-N 2.77Å; T417-G420 PolarHBondContact O-N 2.99Å; T417-G420 VanDerWaalsContact O-N 3.16Å; F418-G420 VanDerWaalsContact C-N 3.29Å; F418-G420 PolarHBondContact O-N 3.24Å; G420-G423 PolarHBondContact O-N 3.46Å; G420-H424 PolarHBondContact O-N 3Å
421D95.2Very high95.2Very high6 Ų623.3 Ų23.33%0.03212%0.121CC..Hα-helixtrans-60-49.8-179.8-67.5-11.6000111.1Y105 T417 F418 G423 H424 L425 R598Y105-D421 PolarHBondContact OH-OD1 3.18Å; T417-D421 VanDerWaalsContact O-CG 3.27Å; T417-D421 PolarHBondContact O-N 3.44Å; F418-D421 PolarHBondContact O-N 3.22Å; D421-G423 VanDerWaalsContact C-N 3.29Å; D421-G423 PolarHBondContact O-N 3.46Å; D421-H424 WeakPolarHBondContact O-CB 3.4Å; D421-H424 PolarHBondContact O-N 2.85Å; D421-H424 VanDerWaalsContact O-N 3.17Å; D421-L425 WeakPolarHBondContact O-CG 3.48Å; D421-L425 PolarHBondContact O-N 2.78Å; D421-R598 IonicContact OD2-NH2 3.62Å
422V96Very high95.3Very high1 Ų123.3 Ų23.31%0.00612%0.121CC..Hα-helixtrans-66.9-33.6178.8177.60000111.2F418 H424 L425 W426 I552 L556 I559 A594 A597F418-V422 WeakPolarHBondContact O-CB 3.46Å; F418-V422 WeakPolarHBondContact O-CG2 3.4Å; F418-V422 PolarHBondContact O-N 3.04Å; V422-H424 VanDerWaalsContact C-N 3.34Å; V422-L425 PolarHBondContact O-N 3.05Å; V422-W426 WeakPolarHBondContact O-CB 3.21Å; V422-W426 PolarHBondContact O-N 3.04Å; V422-I552 HydrophobicContact CG1-CG2 4.27Å; V422-L556 HydrophobicContact CB-CD1 4.19Å; V422-L556 HydrophobicContact CG1-CB 4.02Å; V422-L556 HydrophobicContact CG1-CD1 4.11Å; V422-I559 HydrophobicContact CB-CD1 4.19Å; V422-I559 HydrophobicContact CG1-CD1 4.15Å; V422-I559 HydrophobicContact CG2-CD1 3.82Å; V422-A594 HydrophobicContact CG2-CB 4.27Å; V422-A597 HydrophobicContact CG1-CB 3.71Å; V422-A597 HydrophobicContact CG2-CB 4.14Å
423G95.3Very high95.4Very high0 Ų024.3 Ų24.30%013%0.126CC..Hα-helixtrans-59.8-42.7171.600000112.6A419 G420 D421 W426 K427A419-G423 PolarHBondContact O-N 3.47Å; G420-G423 PolarHBondContact O-N 3.46Å; D421-G423 VanDerWaalsContact C-N 3.29Å; D421-G423 PolarHBondContact O-N 3.46Å; G423-W426 PolarHBondContact O-N 3.31Å; G423-K427 PolarHBondContact O-N 3.24Å; G423-K427 VanDerWaalsContact O-N 3.12Å
424H94.4Very high95.7Very high23 Ų2322.2 Ų22.211%0.10611%0.11CC..Hα-helixtrans-64.2-47.4173.7-17773.4000111.9Y105 G420 D421 V422 W426 K427 T428Y105-H424 HydrophobicContact CD2-CB 3.5Å; Y105-H424 AromaticContact CD2-CG 3.92Å; Y105-H424 HydrophobicContact CE2-CB 3.7Å; Y105-H424 HydrophobicContact CG-CB 4.21Å; Y105-H424 AromaticContact CG-ND1 3.91Å; G420-H424 PolarHBondContact O-N 3Å; D421-H424 WeakPolarHBondContact O-CB 3.4Å; D421-H424 PolarHBondContact O-N 2.85Å; D421-H424 VanDerWaalsContact O-N 3.17Å; V422-H424 VanDerWaalsContact C-N 3.34Å; H424-W426 VanDerWaalsContact C-N 3.26Å; H424-W426 PolarHBondContact O-N 2.88Å; H424-K427 PolarHBondContact O-N 3.17Å; H424-T428 WeakPolarHBondContact O-CB 3.09Å; H424-T428 PolarHBondContact O-N 2.91Å; H424-T428 PolarHBondContact O-OG1 3.03Å; H424-T428 VanDerWaalsContact O-OG1 3.06Å
425L95.3Very high95.8Very high1 Ų121.9 Ų21.91%0.00511%0.108CC..Hα-helixtrans-60.1-36.3177.5-63.5-175.5000112.6D421 V422 S429 R598 F601D421-L425 WeakPolarHBondContact O-CG 3.48Å; D421-L425 PolarHBondContact O-N 2.78Å; V422-L425 PolarHBondContact O-N 3.05Å; L425-S429 WeakPolarHBondContact O-CB 3.22Å; L425-S429 PolarHBondContact O-N 2.85Å; L425-S429 PolarHBondContact O-OG 3.18Å; L425-R598 HydrophobicContact CD1-CB 4.32Å; L425-R598 HydrophobicContact CD1-CG 4.27Å; L425-F601 HydrophobicContact CB-CB 4.39Å; L425-F601 HydrophobicContact CB-CD2 4.06Å; L425-F601 HydrophobicContact CB-CG 4.09Å; L425-F601 HydrophobicContact CD1-CB 4.32Å; L425-F601 HydrophobicContact CD1-CD1 4.34Å; L425-F601 HydrophobicContact CD1-CG 4.34Å; L425-F601 HydrophobicContact CD2-CD1 3.72Å; L425-F601 HydrophobicContact CD2-CD2 4.36Å; L425-F601 HydrophobicContact CD2-CE1 3.69Å; L425-F601 HydrophobicContact CD2-CE2 4.34Å; L425-F601 HydrophobicContact CD2-CG 4.07Å; L425-F601 HydrophobicContact CD2-CZ 4.01Å; L425-F601 HydrophobicContact CG-CD1 4.42Å; L425-F601 HydrophobicContact CG-CG 4.38Å; L425-F601 WeakPolarHBondContact O-CD2 3.39Å
426W96.1Very high95.9Very high50 Ų5021.9 Ų21.919%0.18911%0.108CC..Hα-helixtrans-64.3-48.6174.1171.161.7000112.4T102 V422 G423 H424 T428 S429 E430 I552 K553 L556T102-W426 HydrophobicContact CG2-CZ3 4.24Å; V422-W426 WeakPolarHBondContact O-CB 3.21Å; V422-W426 PolarHBondContact O-N 3.04Å; G423-W426 PolarHBondContact O-N 3.31Å; H424-W426 VanDerWaalsContact C-N 3.26Å; H424-W426 PolarHBondContact O-N 2.88Å; W426-T428 VanDerWaalsContact C-N 3.29Å; W426-T428 PolarHBondContact O-N 2.64Å; W426-S429 PolarHBondContact O-N 2.8Å; W426-S429 PolarHBondContact O-OG 2.55Å; W426-E430 PolarHBondContact O-N 2.85Å; W426-E430 VanDerWaalsContact O-N 3.17Å; W426-I552 HydrophobicContact CB-CG2 3.8Å; W426-I552 HydrophobicContact CG-CG2 4.49Å; W426-K553 HydrophobicContact CD2-CD 4.26Å; W426-K553 HydrophobicContact CZ2-CD 4.08Å; W426-L556 HydrophobicContact CB-CD2 4.23Å; W426-L556 HydrophobicContact CD2-CD2 4.19Å; W426-L556 HydrophobicContact CE3-CD2 3.96Å; W426-L556 HydrophobicContact CG-CD2 4.31Å
427K94.8Very high96.1Very high48 Ų4821.6 Ų21.621%0.20911%0.108CC..Hα-helixtrans-62.4-38175.6-72.3-179.8171-177.20112.2T102 G423 H424 S431T102-K427 VanDerWaalsContact O-CE 3.3Å; T102-K427 WeakPolarHBondContact O-CE 3.44Å; T102-K427 PolarHBondContact O-NZ 3.27Å; G423-K427 PolarHBondContact O-N 3.24Å; G423-K427 VanDerWaalsContact O-N 3.12Å; H424-K427 PolarHBondContact O-N 3.17Å; K427-S431 PolarHBondContact O-N 3.42Å; K427-S431 VanDerWaalsContact O-N 3.15Å; K427-S431 PolarHBondContact O-OG 3.37Å
428T95.5Very high96.3Very high11 Ų1119 Ų197%0.0679%0.092CC..Hα-helixtrans-67.3-42.4177-610000110.8F394 H424 W426 E430 S431 L432 F601F394-T428 HydrophobicContact CB-CG2 3.72Å; F394-T428 HydrophobicContact CD1-CG2 4.24Å; F394-T428 HydrophobicContact CD2-CG2 3.93Å; F394-T428 HydrophobicContact CG-CG2 3.71Å; H424-T428 WeakPolarHBondContact O-CB 3.09Å; H424-T428 PolarHBondContact O-N 2.91Å; H424-T428 PolarHBondContact O-OG1 3.03Å; H424-T428 VanDerWaalsContact O-OG1 3.06Å; W426-T428 VanDerWaalsContact C-N 3.29Å; W426-T428 PolarHBondContact O-N 2.64Å; T428-E430 VanDerWaalsContact C-N 3.33Å; T428-E430 PolarHBondContact O-N 2.94Å; T428-S431 WeakPolarHBondContact O-CA 3.27Å; T428-S431 WeakPolarHBondContact O-CB 3.25Å; T428-S431 PolarHBondContact O-N 2.89Å; T428-L432 HydrophobicContact CG2-CD1 4.36Å; T428-L432 HydrophobicContact CG2-CG 4.32Å; T428-L432 VanDerWaalsContact O-CG 3.31Å; T428-L432 WeakPolarHBondContact O-CG 3.31Å; T428-L432 PolarHBondContact O-N 2.71Å; T428-F601 HydrophobicContact CG2-CE2 3.81Å; T428-F601 HydrophobicContact CG2-CZ 3.77Å
429S96.9Very high96.3Very high3 Ų318.6 Ų18.62%0.0219%0.091CC..Hα-helixtrans-63.2-37.4178.168.90000112.9L425 W426 S431 L432 L433L425-S429 WeakPolarHBondContact O-CB 3.22Å; L425-S429 PolarHBondContact O-N 2.85Å; L425-S429 PolarHBondContact O-OG 3.18Å; W426-S429 PolarHBondContact O-N 2.8Å; W426-S429 PolarHBondContact O-OG 2.55Å; S429-S431 VanDerWaalsContact C-N 3.34Å; S429-L432 PolarHBondContact O-N 2.73Å; S429-L433 PolarHBondContact O-N 3.38Å
430E96.3Very high96.4Very high75 Ų7518.7 Ų18.735%0.359%0.091SC..Hα-helixtrans-58.4-47.4170.1-174.2-166-106.600111R375 W426 T428 L432 L433 V434 V549R375-E430 IonicContact CZ-OE2 3.53Å; R375-E430 IonicContact NH1-OE2 3.95Å; R375-E430 PolarHBondContact NH1-OE2 3.48Å; R375-E430 IonicContact NH2-OE2 2.76Å; W426-E430 PolarHBondContact O-N 2.85Å; W426-E430 VanDerWaalsContact O-N 3.17Å; T428-E430 VanDerWaalsContact C-N 3.33Å; T428-E430 PolarHBondContact O-N 2.94Å; E430-L432 PolarHBondContact O-N 2.86Å; E430-L433 PolarHBondContact O-N 2.78Å; E430-V434 WeakPolarHBondContact O-CG2 3.39Å; E430-V434 PolarHBondContact O-N 2.9Å; E430-V549 HydrophobicContact CB-CG1 4.25Å
431S95.7Very high96.5Very high26 Ų2622.3 Ų22.318%0.18211%0.106CC..Hα-helixtrans-62.8-40.6179.1-57.30000113R375 K427 T428 S429 L433 V434 Y435R375-S431 PolarHBondContact NH2-OG 3.36Å; K427-S431 PolarHBondContact O-N 3.42Å; K427-S431 VanDerWaalsContact O-N 3.15Å; K427-S431 PolarHBondContact O-OG 3.37Å; T428-S431 WeakPolarHBondContact O-CA 3.27Å; T428-S431 WeakPolarHBondContact O-CB 3.25Å; T428-S431 PolarHBondContact O-N 2.89Å; S429-S431 VanDerWaalsContact C-N 3.34Å; S431-L433 VanDerWaalsContact C-N 3.3Å; S431-L433 PolarHBondContact O-N 3.26Å; S431-V434 PolarHBondContact O-N 2.8Å; S431-Y435 WeakPolarHBondContact O-CD2 3.44Å; S431-Y435 PolarHBondContact O-N 2.88Å
432L97.4Very high96.5Very high1 Ų122.2 Ų22.21%0.00511%0.106CC..Hα-helixtrans-62.6-37.9175.4-64.5176.5000111.8L392 F394 T428 S429 E430 Q436 F601 C605 A606 Y609L392-L432 HydrophobicContact CB-CD2 4.14Å; L392-L432 HydrophobicContact CD2-CD2 3.67Å; L392-L432 HydrophobicContact CD2-CG 4.23Å; L392-L432 HydrophobicContact CG-CD2 4.43Å; F394-L432 HydrophobicContact CD1-CD2 4.02Å; F394-L432 HydrophobicContact CE1-CD1 4.37Å; F394-L432 HydrophobicContact CE1-CD2 3.67Å; F394-L432 HydrophobicContact CZ-CD1 4.35Å; F394-L432 HydrophobicContact CZ-CD2 4.43Å; T428-L432 HydrophobicContact CG2-CD1 4.36Å; T428-L432 HydrophobicContact CG2-CG 4.32Å; T428-L432 VanDerWaalsContact O-CG 3.31Å; T428-L432 WeakPolarHBondContact O-CG 3.31Å; T428-L432 PolarHBondContact O-N 2.71Å; S429-L432 PolarHBondContact O-N 2.73Å; E430-L432 PolarHBondContact O-N 2.86Å; L432-Q436 WeakPolarHBondContact O-CG 3.46Å; L432-Q436 PolarHBondContact O-N 3.39Å; L432-Q436 PolarHBondContact O-NE2 2.66Å; L432-F601 HydrophobicContact CD1-CE2 4.02Å; L432-F601 HydrophobicContact CD1-CZ 4.28Å; L432-C605 HydrophobicContact CD1-CB 4.37Å; L432-A606 HydrophobicContact CD1-CB 4.45Å; L432-Y609 HydrophobicContact CB-CD2 4Å; L432-Y609 HydrophobicContact CB-CG 4.23Å; L432-Y609 HydrophobicContact CD2-CD1 3.55Å; L432-Y609 HydrophobicContact CD2-CD2 3.8Å; L432-Y609 HydrophobicContact CD2-CE1 3.7Å; L432-Y609 HydrophobicContact CD2-CE2 3.96Å; L432-Y609 HydrophobicContact CD2-CG 3.6Å; L432-Y609 HydrophobicContact CG-CD2 4.46Å; L432-Y609 HydrophobicContact CG-CG 4.33Å
433L97.5Very high96.5Very high30 Ų3022.1 Ų22.116%0.15711%0.106CC..Hα-helixtrans-68-48.9176.4-17961.3000111.1S429 E430 S431 Y435 Q436 E437 V549S429-L433 PolarHBondContact O-N 3.38Å; E430-L433 PolarHBondContact O-N 2.78Å; S431-L433 VanDerWaalsContact C-N 3.3Å; S431-L433 PolarHBondContact O-N 3.26Å; L433-Y435 VanDerWaalsContact C-N 3.28Å; L433-Y435 PolarHBondContact O-N 3.41Å; L433-Q436 PolarHBondContact O-N 3.4Å; L433-Q436 VanDerWaalsContact O-N 3.08Å; L433-E437 PolarHBondContact O-N 3.21Å; L433-V549 HydrophobicContact CD2-CG2 4.22Å
434V97.2Very high96.5Very high22 Ų2227.5 Ų27.513%0.13313%0.126CC..Hα-helixtrans-56-44177.21710000111R375 E430 S431 Q436 E437 L438R375-V434 HydrophobicContact CG-CG1 4.29Å; E430-V434 WeakPolarHBondContact O-CG2 3.39Å; E430-V434 PolarHBondContact O-N 2.9Å; S431-V434 PolarHBondContact O-N 2.8Å; V434-Q436 VanDerWaalsContact C-N 3.31Å; V434-Q436 PolarHBondContact O-N 3.02Å; V434-E437 PolarHBondContact O-N 3.15Å; V434-L438 HydrophobicContact CG1-CD1 4Å; V434-L438 HydrophobicContact CG1-CG 4.24Å; V434-L438 VanDerWaalsContact O-CG 3.32Å; V434-L438 WeakPolarHBondContact O-CG 3.36Å; V434-L438 PolarHBondContact O-N 3.07Å
435Y98Very high96.4Very high22 Ų2226.8 Ų26.89%0.08613%0.125CC..Hα-helixtrans-61.5-38.4178.6-88.3-133.5000112.4F314 A319 L321 L392 S431 L433 L438 V439F314-Y435 HydrophobicContact CE2-CD1 4.09Å; F314-Y435 HydrophobicContact CE2-CE1 4.37Å; F314-Y435 HydrophobicContact CE2-CG 4.22Å; A319-Y435 WeakPolarHBondContact O-CD1 3.27Å; A319-Y435 WeakPolarHBondContact O-CE1 3.23Å; L321-Y435 HydrophobicContact CB-CE2 3.81Å; L321-Y435 WeakPolarHBondContact CB-OH 3.48Å; L321-Y435 PolarHBondContact N-OH 2.88Å; L392-Y435 HydrophobicContact CB-CD1 3.96Å; L392-Y435 HydrophobicContact CB-CE1 3.79Å; L392-Y435 HydrophobicContact CD1-CE1 4.04Å; L392-Y435 HydrophobicContact CD1-CE2 4.28Å; L392-Y435 HydrophobicContact CG-CE1 4.49Å; S431-Y435 WeakPolarHBondContact O-CD2 3.44Å; S431-Y435 PolarHBondContact O-N 2.88Å; L433-Y435 VanDerWaalsContact C-N 3.28Å; L433-Y435 PolarHBondContact O-N 3.41Å; Y435-L438 PolarHBondContact O-N 3.12Å; Y435-V439 VanDerWaalsContact O-CG2 3.31Å; Y435-V439 WeakPolarHBondContact O-CG2 3.32Å; Y435-V439 PolarHBondContact O-N 3.29Å
436Q98.1Very high96.4Very high0 Ų026.8 Ų26.80%013%0.125CC..Hα-helixtrans-67.9-41.1177-68170.580.100111.5L432 L433 V434 V439 R440 T542 Y609 F612L432-Q436 WeakPolarHBondContact O-CG 3.46Å; L432-Q436 PolarHBondContact O-N 3.39Å; L432-Q436 PolarHBondContact O-NE2 2.66Å; L433-Q436 PolarHBondContact O-N 3.4Å; L433-Q436 VanDerWaalsContact O-N 3.08Å; V434-Q436 VanDerWaalsContact C-N 3.31Å; V434-Q436 PolarHBondContact O-N 3.02Å; Q436-V439 PolarHBondContact O-N 2.88Å; Q436-R440 VanDerWaalsContact O-CG 3.31Å; Q436-R440 WeakPolarHBondContact O-CG 3.25Å; Q436-R440 PolarHBondContact O-N 2.92Å; Q436-T542 PolarHBondContact NE2-OG1 3.17Å; Q436-T542 PolarHBondContact OE1-OG1 2.87Å; Q436-Y609 HydrophobicContact CG-CD2 3.8Å; Q436-Y609 HydrophobicContact CG-CE2 4.3Å; Q436-F612 HydrophobicContact CB-CD1 4.21Å; Q436-F612 HydrophobicContact CB-CE1 3.98Å; Q436-F612 HydrophobicContact CB-CZ 4.25Å; Q436-F612 HydrophobicContact CG-CD1 3.64Å; Q436-F612 HydrophobicContact CG-CE1 3.91Å; Q436-F612 HydrophobicContact CG-CG 4.04Å
437E97.4Very high96.3Very high66 Ų6624.9 Ų24.931%0.30812%0.118SC..Hα-helixtrans-62.3-41.5174-72.1-54.910900112.3L433 V434 R440 K441L433-E437 PolarHBondContact O-N 3.21Å; V434-E437 PolarHBondContact O-N 3.15Å; E437-R440 WeakPolarHBondContact O-CB 3.36Å; E437-R440 PolarHBondContact O-N 3.45Å; E437-R440 WeakPolarHBondContact OE1-CD 3.31Å; E437-R440 IonicContact OE1-CZ 3.39Å; E437-R440 IonicContact OE1-NE 2.62Å; E437-R440 IonicContact OE1-NH1 2.82Å; E437-R440 PolarHBondContact OE1-NH1 3.44Å; E437-K441 WeakPolarHBondContact O-CB 3.39Å; E437-K441 PolarHBondContact O-N 2.93Å
438L97.9Very high96.2Very high4 Ų427 Ų272%0.02113%0.129CC..Hα-helixtrans-64.3-41.6175.5-69.5178.4000112F314 L321 P378 M380 V434 Y435 K441 G442F314-L438 HydrophobicContact CD1-CB 4.09Å; F314-L438 HydrophobicContact CD2-CB 4.05Å; F314-L438 HydrophobicContact CD2-CD1 3.53Å; F314-L438 HydrophobicContact CD2-CG 4.44Å; F314-L438 HydrophobicContact CE1-CB 3.99Å; F314-L438 HydrophobicContact CE2-CB 3.97Å; F314-L438 HydrophobicContact CE2-CD1 3.87Å; F314-L438 HydrophobicContact CG-CB 4.11Å; F314-L438 HydrophobicContact CG-CD1 4.08Å; F314-L438 HydrophobicContact CZ-CB 3.94Å; L321-L438 HydrophobicContact CD1-CD1 4.37Å; P378-L438 VanDerWaalsContact CD-CD2 3.44Å; P378-L438 HydrophobicContact CG-CD1 4.21Å; P378-L438 HydrophobicContact CG-CD2 3.63Å; M380-L438 HydrophobicContact CE-CB 4.33Å; M380-L438 HydrophobicContact CE-CD2 4.08Å; M380-L438 WeakPolarHBondContact CE-O 3.47Å; V434-L438 HydrophobicContact CG1-CD1 4Å; V434-L438 HydrophobicContact CG1-CG 4.24Å; V434-L438 VanDerWaalsContact O-CG 3.32Å; V434-L438 WeakPolarHBondContact O-CG 3.36Å; V434-L438 PolarHBondContact O-N 3.07Å; Y435-L438 PolarHBondContact O-N 3.12Å; L438-K441 PolarHBondContact O-N 3.44Å; L438-G442 PolarHBondContact O-N 3.02Å
439V97.8Very high96.1Very high0 Ų026.5 Ų26.50%013%0.126CC..Hα-helixtrans-62.7-44.6172.7171.20000110.7F314 L316 A319 Y435 Q436 K441 G442 V443 W536 F612F314-V439 HydrophobicContact CE1-CG2 3.82Å; F314-V439 HydrophobicContact CZ-CG2 3.77Å; L316-V439 HydrophobicContact CD1-CB 4.47Å; L316-V439 HydrophobicContact CD1-CG1 4.46Å; L316-V439 HydrophobicContact CD1-CG2 4.48Å; A319-V439 HydrophobicContact CB-CG2 4.17Å; Y435-V439 VanDerWaalsContact O-CG2 3.31Å; Y435-V439 WeakPolarHBondContact O-CG2 3.32Å; Y435-V439 PolarHBondContact O-N 3.29Å; Q436-V439 PolarHBondContact O-N 2.88Å; V439-K441 VanDerWaalsContact C-N 3.32Å; V439-K441 PolarHBondContact O-N 3.18Å; V439-G442 PolarHBondContact O-N 3.36Å; V439-V443 HydrophobicContact CG1-CG2 3.98Å; V439-V443 WeakPolarHBondContact O-CB 3.4Å; V439-V443 WeakPolarHBondContact O-CG2 3.25Å; V439-V443 PolarHBondContact O-N 3.15Å; V439-W536 HydrophobicContact CG1-CH2 4.47Å; V439-F612 HydrophobicContact CB-CE1 3.7Å; V439-F612 HydrophobicContact CB-CZ 4.11Å; V439-F612 HydrophobicContact CG1-CE1 3.58Å; V439-F612 HydrophobicContact CG1-CZ 3.84Å; V439-F612 HydrophobicContact CG2-CE1 4.28Å
440R97.1Very high95.9Very high1 Ų126.4 Ų26.40%0.00413%0.125CC..Hα-helixtrans-56.4-45.5175.9-76.6173.6-173.8119.93111.9Q436 E437 R444 T537 V540 T542 H543 F612Q436-R440 VanDerWaalsContact O-CG 3.31Å; Q436-R440 WeakPolarHBondContact O-CG 3.25Å; Q436-R440 PolarHBondContact O-N 2.92Å; E437-R440 WeakPolarHBondContact O-CB 3.36Å; E437-R440 PolarHBondContact O-N 3.45Å; E437-R440 WeakPolarHBondContact OE1-CD 3.31Å; E437-R440 IonicContact OE1-CZ 3.39Å; E437-R440 IonicContact OE1-NE 2.62Å; E437-R440 IonicContact OE1-NH1 2.82Å; E437-R440 PolarHBondContact OE1-NH1 3.44Å; R440-R444 WeakPolarHBondContact O-CG 3.38Å; R440-R444 PolarHBondContact O-N 3.15Å; R440-R444 VanDerWaalsContact O-N 3.16Å; R440-R444 PolarHBondContact O-NE 3.01Å; R440-T537 PolarHBondContact NE-O 2.83Å; R440-T537 PolarHBondContact NH2-O 3.41Å; R440-V540 PolarHBondContact NH2-O 3.26Å; R440-T542 PolarHBondContact NH1-O 3.05Å; R440-T542 PolarHBondContact NH2-O 2.94Å; R440-H543 VanDerWaalsContact CZ-CE1 3.45Å; R440-H543 PolarHBondContact NH2-CE1 3.49Å; R440-H543 PolarHBondContact NH2-ND1 2.64Å; R440-F612 HydrophobicContact CG-CE2 4.44Å; R440-F612 HydrophobicContact CG-CZ 4.09Å
441K95.9Very high95.8Very high78 Ų7826.1 Ų26.134%0.33912%0.123SC..Hα-helixtrans-65.1-44.9177.4-176.3174.3175.4176.80111.5N377 M380 E437 L438 V439 R444 G445N377-K441 PolarHBondContact OD1-NZ 3.36Å; M380-K441 HydrophobicContact CE-CB 4.26Å; M380-K441 HydrophobicContact CE-CD 4.31Å; M380-K441 HydrophobicContact CE-CG 4.27Å; E437-K441 WeakPolarHBondContact O-CB 3.39Å; E437-K441 PolarHBondContact O-N 2.93Å; L438-K441 PolarHBondContact O-N 3.44Å; V439-K441 VanDerWaalsContact C-N 3.32Å; V439-K441 PolarHBondContact O-N 3.18Å; K441-R444 PolarHBondContact O-N 2.91Å; K441-G445 PolarHBondContact O-N 3.49Å
442G96.3Very high95.7Very high4 Ų429.2 Ų29.24%0.04114%0.135CC..Hα-helixtrans-66.4-41.3178.600000113.3L316 L438 V439 G445 L446L316-G442 VanDerWaalsContact CD2-C 3.46Å; L316-G442 WeakPolarHBondContact CD2-O 3.45Å; L438-G442 PolarHBondContact O-N 3.02Å; V439-G442 PolarHBondContact O-N 3.36Å; G442-G445 PolarHBondContact O-N 3.02Å; G442-L446 VanDerWaalsContact O-CB 3.24Å; G442-L446 WeakPolarHBondContact O-CB 3.47Å; G442-L446 PolarHBondContact O-N 3.13Å
443V95.8Very high95.5Very high0 Ų030.7 Ų30.70%014%0.142CC..Hα-helixtrans-58.3-48.6174.2164.80000110.4V439 L446 I447 D534 W536 T537 W619V439-V443 HydrophobicContact CG1-CG2 3.98Å; V439-V443 WeakPolarHBondContact O-CB 3.4Å; V439-V443 WeakPolarHBondContact O-CG2 3.25Å; V439-V443 PolarHBondContact O-N 3.15Å; V443-L446 PolarHBondContact O-N 3.45Å; V443-I447 HydrophobicContact CG1-CD1 3.98Å; V443-I447 WeakPolarHBondContact O-CG1 3.16Å; V443-I447 PolarHBondContact O-N 3.42Å; V443-D534 HydrophobicContact CG1-CB 3.81Å; V443-W536 HydrophobicContact CG2-CZ2 4.12Å; V443-T537 HydrophobicContact CG1-CG2 4.12Å; V443-W619 HydrophobicContact CB-CH2 4.13Å; V443-W619 HydrophobicContact CB-CZ3 4.21Å; V443-W619 HydrophobicContact CG1-CH2 3.69Å; V443-W619 HydrophobicContact CG1-CZ2 3.75Å; V443-W619 HydrophobicContact CG1-CZ3 4.09Å; V443-W619 HydrophobicContact CG2-CE3 4.01Å; V443-W619 HydrophobicContact CG2-CH2 4.11Å; V443-W619 HydrophobicContact CG2-CZ3 3.68Å
444R94.5Very high95.4Very high113 Ų11329.9 Ų29.943%0.42614%0.137SC..Hα-helixtrans-60.1-48.4176.6-78.1-176-99.5178.4-9.1111.9R440 K441 L446 I447 E448 D534R440-R444 WeakPolarHBondContact O-CG 3.38Å; R440-R444 PolarHBondContact O-N 3.15Å; R440-R444 VanDerWaalsContact O-N 3.16Å; R440-R444 PolarHBondContact O-NE 3.01Å; K441-R444 PolarHBondContact O-N 2.91Å; R444-L446 VanDerWaalsContact C-N 3.31Å; R444-L446 PolarHBondContact O-N 3.39Å; R444-I447 PolarHBondContact O-N 3.35Å; R444-E448 PolarHBondContact O-N 3.43Å; R444-D534 HydrophobicContact CG-CB 4.48Å; R444-D534 VanDerWaalsContact CG-OD2 3.25Å; R444-D534 WeakPolarHBondContact CG-OD2 3.27Å
445G94.1Very high95.3Very high8 Ų833.3 Ų33.38%0.08216%0.155CC..Hα-helixtrans-60.3-39.3176.400000113K441 G442 E448 L449K441-G445 PolarHBondContact O-N 3.49Å; G442-G445 PolarHBondContact O-N 3.02Å; G445-E448 PolarHBondContact O-N 2.93Å; G445-L449 WeakPolarHBondContact O-CB 3.46Å; G445-L449 PolarHBondContact O-N 3.38Å
446L94.6Very high95.2Very high0 Ų038 Ų380%018%0.178CC..Hα-helixtrans-69.6-35.5179.2-175.955.4000112.8L316 V382 G442 V443 R444 L449 M450 W619 M620 V623L316-L446 HydrophobicContact CD2-CB 4.3Å; L316-L446 HydrophobicContact CD2-CD2 3.97Å; V382-L446 HydrophobicContact CG1-CD1 4.3Å; V382-L446 HydrophobicContact CG1-CD2 4.32Å; G442-L446 VanDerWaalsContact O-CB 3.24Å; G442-L446 WeakPolarHBondContact O-CB 3.47Å; G442-L446 PolarHBondContact O-N 3.13Å; V443-L446 PolarHBondContact O-N 3.45Å; R444-L446 VanDerWaalsContact C-N 3.31Å; R444-L446 PolarHBondContact O-N 3.39Å; L446-L449 HydrophobicContact CD1-CD2 4.07Å; L446-M450 HydrophobicContact CD1-CG 4.44Å; L446-M450 HydrophobicContact CG-SD 4.47Å; L446-M450 WeakPolarHBondContact O-CB 3.39Å; L446-M450 VanDerWaalsContact O-CG 3.28Å; L446-M450 WeakPolarHBondContact O-CG 3.41Å; L446-M450 PolarHBondContact O-N 2.96Å; L446-W619 HydrophobicContact CB-CH2 4.44Å; L446-W619 HydrophobicContact CD2-CH2 4.06Å; L446-W619 HydrophobicContact CD2-CZ3 4Å; L446-W619 HydrophobicContact CG-CH2 4.38Å; L446-M620 HydrophobicContact CD2-CE 3.9Å; L446-M620 HydrophobicContact CD2-SD 4.06Å; L446-V623 HydrophobicContact CD2-CG1 3.95Å; L446-V623 HydrophobicContact CG-CG1 4.44Å
447I94.1Very high95.1Very high10 Ų1038.7 Ų38.75%0.05118%0.181CC..Hα-helixtrans-63.7-47.9174.2-71.1165.8000110.3V443 R444 L449 M450 K451 D534 W619V443-I447 HydrophobicContact CG1-CD1 3.98Å; V443-I447 WeakPolarHBondContact O-CG1 3.16Å; V443-I447 PolarHBondContact O-N 3.42Å; R444-I447 PolarHBondContact O-N 3.35Å; I447-L449 VanDerWaalsContact C-N 3.34Å; I447-L449 PolarHBondContact O-N 3.19Å; I447-M450 PolarHBondContact O-N 3.49Å; I447-K451 HydrophobicContact CG2-CD 4.36Å; I447-K451 WeakPolarHBondContact O-CG 3.46Å; I447-K451 PolarHBondContact O-N 2.99Å; I447-D534 HydrophobicContact CD1-CB 3.85Å; I447-W619 HydrophobicContact CD1-CZ2 3.92Å; I447-W619 HydrophobicContact CG1-CH2 4.2Å; I447-W619 HydrophobicContact CG1-CZ2 3.73Å
448E92.1Very high95Very high92 Ų9237.7 Ų37.743%0.4318%0.177SC..Hα-helixtrans-62.6-43.1178.7-66-50.4127.600111.6R444 G445 M450 K451 E452R444-E448 PolarHBondContact O-N 3.43Å; G445-E448 PolarHBondContact O-N 2.93Å; E448-M450 VanDerWaalsContact C-N 3.32Å; E448-M450 PolarHBondContact O-N 3.11Å; E448-K451 WeakPolarHBondContact O-CB 3.3Å; E448-K451 PolarHBondContact O-N 3.37Å; E448-K451 VanDerWaalsContact O-N 3.08Å; E448-K451 IonicContact OE1-NZ 3.85Å; E448-K451 PolarHBondContact OE1-NZ 3.07Å; E448-K451 IonicContact OE2-NZ 2.78Å; E448-E452 PolarHBondContact O-N 3.21Å
449L92.8Very high94.8Very high2 Ų244.1 Ų44.11%0.0121%0.207CC..Hα-helixtrans-55.2-45.5173.2-177.468.1000112.8E351 L353 R358 G445 L446 I447 K451 E452 D453E351-L449 HydrophobicContact CG-CD2 4.41Å; E351-L449 WeakPolarHBondContact OE1-CD2 3.37Å; L353-L449 HydrophobicContact CD2-CB 4.32Å; L353-L449 HydrophobicContact CD2-CD2 3.9Å; L353-L449 HydrophobicContact CG-CD2 4.44Å; R358-L449 HydrophobicContact CG-CD1 3.35Å; R358-L449 VanDerWaalsContact CZ-CD1 3.46Å; R358-L449 VanDerWaalsContact NE-CD1 3.26Å; G445-L449 WeakPolarHBondContact O-CB 3.46Å; G445-L449 PolarHBondContact O-N 3.38Å; L446-L449 HydrophobicContact CD1-CD2 4.07Å; I447-L449 VanDerWaalsContact C-N 3.34Å; I447-L449 PolarHBondContact O-N 3.19Å; L449-K451 VanDerWaalsContact C-N 3.3Å; L449-K451 PolarHBondContact O-N 3.5Å; L449-E452 WeakPolarHBondContact O-CB 3.3Å; L449-E452 PolarHBondContact O-N 3.05Å; L449-D453 PolarHBondContact O-N 3.1Å
450M93.8Very high94.7Very high1 Ų146.6 Ų46.61%0.00522%0.218CC..Hα-helixtrans-70.4-27.8179.3-73-178.966.600112.9L446 I447 E448 Y454 F526 L532 V623 V626 R627 L630L446-M450 HydrophobicContact CD1-CG 4.44Å; L446-M450 HydrophobicContact CG-SD 4.47Å; L446-M450 WeakPolarHBondContact O-CB 3.39Å; L446-M450 VanDerWaalsContact O-CG 3.28Å; L446-M450 WeakPolarHBondContact O-CG 3.41Å; L446-M450 PolarHBondContact O-N 2.96Å; I447-M450 PolarHBondContact O-N 3.49Å; E448-M450 VanDerWaalsContact C-N 3.32Å; E448-M450 PolarHBondContact O-N 3.11Å; M450-Y454 VanDerWaalsContact O-CB 3.3Å; M450-Y454 WeakPolarHBondContact O-CB 3.5Å; M450-Y454 PolarHBondContact O-N 3.26Å; M450-F526 HydrophobicContact CB-CE1 3.79Å; M450-F526 HydrophobicContact CB-CZ 3.85Å; M450-F526 HydrophobicContact CE-CE1 4.45Å; M450-F526 HydrophobicContact CE-CZ 4.21Å; M450-L532 HydrophobicContact CE-CD1 3.54Å; M450-L532 HydrophobicContact SD-CD1 4.34Å; M450-V623 HydrophobicContact CE-CG1 4.44Å; M450-V623 HydrophobicContact SD-CB 4.47Å; M450-V623 HydrophobicContact SD-CG1 3.66Å; M450-V623 HydrophobicContact SD-CG2 4.42Å; M450-V626 HydrophobicContact CE-CB 3.91Å; M450-V626 HydrophobicContact CE-CG1 3.73Å; M450-R627 HydrophobicContact CE-CG 3.76Å; M450-R627 HydrophobicContact CG-CG 4.4Å; M450-R627 HydrophobicContact SD-CG 4.04Å; M450-L630 HydrophobicContact CE-CD1 4.26Å
451K93.6Very high94.6Very high69 Ų6947.5 Ų47.530%0.322%0.222SC..Hα-helixtrans-69.1-39.5171.1-71.2171.7-177.3168.20110.9I447 E448 L449 Y454 N455 F526I447-K451 HydrophobicContact CG2-CD 4.36Å; I447-K451 WeakPolarHBondContact O-CG 3.46Å; I447-K451 PolarHBondContact O-N 2.99Å; E448-K451 WeakPolarHBondContact O-CB 3.3Å; E448-K451 PolarHBondContact O-N 3.37Å; E448-K451 VanDerWaalsContact O-N 3.08Å; E448-K451 IonicContact OE1-NZ 3.85Å; E448-K451 PolarHBondContact OE1-NZ 3.07Å; E448-K451 IonicContact OE2-NZ 2.78Å; L449-K451 VanDerWaalsContact C-N 3.3Å; L449-K451 PolarHBondContact O-N 3.5Å; K451-Y454 PolarHBondContact O-N 2.81Å; K451-N455 WeakPolarHBondContact O-CB 3.26Å; K451-N455 PolarHBondContact O-N 3.4Å; K451-N455 PolarHBondContact O-ND2 2.89Å; K451-N455 VanDerWaalsContact O-ND2 3.13Å; K451-F526 HydrophobicContact CG-CD1 4.03Å; K451-F526 HydrophobicContact CG-CE1 4.3Å; K451-F526 HydrophobicContact CG-CG 4.39Å
452E93Very high94.5Very high91 Ų9147.5 Ų47.543%0.42523%0.232SC..Hα-helixtrans-58.3-51.9172.5-68.6174.317600110.6E448 L449 Y454 N455 E456E448-E452 PolarHBondContact O-N 3.21Å; L449-E452 WeakPolarHBondContact O-CB 3.3Å; L449-E452 PolarHBondContact O-N 3.05Å; E452-Y454 VanDerWaalsContact C-N 3.3Å; E452-Y454 PolarHBondContact O-N 3.32Å; E452-N455 PolarHBondContact O-N 3.16Å; E452-E456 PolarHBondContact O-N 2.71Å
453D93.4Very high94.4Very high31 Ų3150.4 Ų50.417%0.16624%0.244CC..Hα-helixtrans-57.4-42.6177-70.7-21.9000112.4R358 L449 E456 I457R358-D453 IonicContact CZ-OD1 3.59Å; R358-D453 IonicContact NH1-OD1 3.87Å; R358-D453 PolarHBondContact NH1-OD1 3.45Å; R358-D453 VanDerWaalsContact NH2-CG 3.26Å; R358-D453 IonicContact NH2-OD1 3.67Å; R358-D453 PolarHBondContact NH2-OD1 3.36Å; R358-D453 IonicContact NH2-OD2 2.69Å; R358-D453 PolarHBondContact NH2-OD2 2.9Å; R358-D453 VanDerWaalsContact NH2-OD2 3.1Å; L449-D453 PolarHBondContact O-N 3.1Å; D453-E456 PolarHBondContact O-N 3.42Å; D453-I457 WeakPolarHBondContact O-CG1 3.38Å; D453-I457 PolarHBondContact O-N 2.81Å
454Y95.9Very high94.4Very high14 Ų1450.4 Ų50.46%0.05524%0.244CC..Hα-helixtrans-63.3-41.2176.5173.3-104.3000112.1M450 K451 E452 I457 L458 T519 V522 K523 F526 L630M450-Y454 VanDerWaalsContact O-CB 3.3Å; M450-Y454 WeakPolarHBondContact O-CB 3.5Å; M450-Y454 PolarHBondContact O-N 3.26Å; K451-Y454 PolarHBondContact O-N 2.81Å; E452-Y454 VanDerWaalsContact C-N 3.3Å; E452-Y454 PolarHBondContact O-N 3.32Å; Y454-I457 PolarHBondContact O-N 3.46Å; Y454-L458 HydrophobicContact CD1-CD1 3.96Å; Y454-L458 HydrophobicContact CD1-CG 4.37Å; Y454-L458 HydrophobicContact CE1-CD1 3.29Å; Y454-L458 HydrophobicContact CE1-CG 3.87Å; Y454-L458 HydrophobicContact CE2-CG 4.26Å; Y454-L458 WeakPolarHBondContact O-CG 3.48Å; Y454-L458 PolarHBondContact O-N 3.35Å; Y454-T519 HydrophobicContact CE2-CG2 3.87Å; Y454-T519 WeakPolarHBondContact CE2-O 3.34Å; Y454-T519 PolarHBondContact OH-O 2.96Å; Y454-T519 VanDerWaalsContact OH-O 3.12Å; Y454-V522 HydrophobicContact CD2-CB 4.43Å; Y454-V522 HydrophobicContact CD2-CG1 3.71Å; Y454-V522 HydrophobicContact CE2-CB 4.25Å; Y454-V522 HydrophobicContact CE2-CG1 3.99Å; Y454-K523 HydrophobicContact CE1-CG 4.34Å; Y454-K523 VanDerWaalsContact OH-CB 3.29Å; Y454-K523 WeakPolarHBondContact OH-CB 3.43Å; Y454-F526 HydrophobicContact CG-CE2 4.3Å; Y454-L630 HydrophobicContact CD2-CD2 3.91Å
455N95.6Very high94.3Very high93 Ų9347.7 Ų47.750%0.49724%0.236SC..Hα-helixtrans-67.8-37.6178.4-71.1-28.7000112K451 E452 L458 H459K451-N455 WeakPolarHBondContact O-CB 3.26Å; K451-N455 PolarHBondContact O-N 3.4Å; K451-N455 PolarHBondContact O-ND2 2.89Å; K451-N455 VanDerWaalsContact O-ND2 3.13Å; E452-N455 PolarHBondContact O-N 3.16Å; N455-L458 WeakPolarHBondContact O-CB 3.47Å; N455-L458 PolarHBondContact O-N 2.94Å; N455-H459 PolarHBondContact O-N 3.3Å
456E95.3Very high94.3Very high121 Ų12153.9 Ų53.957%0.56526%0.256SS*.Hα-helixtrans-61.4-44.3172.2-71.4-179.2-174.500111.4E452 D453 L458 H459 K460E452-E456 PolarHBondContact O-N 2.71Å; D453-E456 PolarHBondContact O-N 3.42Å; E456-L458 VanDerWaalsContact C-N 3.32Å; E456-L458 PolarHBondContact O-N 3.08Å; E456-H459 PolarHBondContact O-N 3.21Å; E456-K460 PolarHBondContact O-N 3.26Å
457I95.6Very high94.2Very high14 Ų1455.6 Ų55.67%0.07227%0.265CS..Hα-helixtrans-62.5-39.6175.1-72.7163.1000111.1D453 Y454 K460 K461 L630 L633 L637D453-I457 WeakPolarHBondContact O-CG1 3.38Å; D453-I457 PolarHBondContact O-N 2.81Å; Y454-I457 PolarHBondContact O-N 3.46Å; I457-K460 PolarHBondContact O-N 2.9Å; I457-K461 VanDerWaalsContact O-CB 3.3Å; I457-K461 WeakPolarHBondContact O-CB 3.44Å; I457-K461 PolarHBondContact O-N 2.85Å; I457-L630 HydrophobicContact CD1-CB 3.78Å; I457-L630 HydrophobicContact CD1-CD2 3.76Å; I457-L630 HydrophobicContact CD1-CG 4.36Å; I457-L630 VanDerWaalsContact CD1-O 3.27Å; I457-L630 WeakPolarHBondContact CD1-O 3.4Å; I457-L633 HydrophobicContact CG2-CB 4.17Å; I457-L637 HydrophobicContact CG2-CD1 3.95Å
458L95.6Very high94.1Very high45 Ų4555.3 Ų55.324%0.23626%0.264CS..Hα-helixtrans-62.2-43.9175.1-81-178.9000112.5Y454 N455 E456 K460 K461 S462 T519Y454-L458 HydrophobicContact CD1-CD1 3.96Å; Y454-L458 HydrophobicContact CD1-CG 4.37Å; Y454-L458 HydrophobicContact CE1-CD1 3.29Å; Y454-L458 HydrophobicContact CE1-CG 3.87Å; Y454-L458 HydrophobicContact CE2-CG 4.26Å; Y454-L458 WeakPolarHBondContact O-CG 3.48Å; Y454-L458 PolarHBondContact O-N 3.35Å; N455-L458 WeakPolarHBondContact O-CB 3.47Å; N455-L458 PolarHBondContact O-N 2.94Å; E456-L458 VanDerWaalsContact C-N 3.32Å; E456-L458 PolarHBondContact O-N 3.08Å; L458-K460 VanDerWaalsContact C-N 3.35Å; L458-K461 WeakPolarHBondContact O-CB 3.32Å; L458-K461 PolarHBondContact O-N 3.01Å; L458-S462 PolarHBondContact O-N 2.97Å; L458-S462 PolarHBondContact O-OG 2.76Å; L458-T519 HydrophobicContact CD2-CG2 3.32Å; L458-T519 HydrophobicContact CG-CG2 4.36Å
459H95.2Very high94.1Very high139 Ų13953.7 Ų53.764%0.64426%0.263SS*.Hα-helixtrans-60.3-47.6175.8-176.7-85.8000110.6N455 E456 K461 S462 E463N455-H459 PolarHBondContact O-N 3.3Å; E456-H459 PolarHBondContact O-N 3.21Å; H459-K461 VanDerWaalsContact C-N 3.33Å; H459-K461 PolarHBondContact O-N 2.97Å; H459-S462 PolarHBondContact O-N 3.42Å; H459-E463 PolarHBondContact O-N 2.9Å
460K94.4Very high94Very high52 Ų5256.4 Ų56.423%0.22628%0.277CS..Hα-helixtrans-62.4-40.2178-168.360.2176.3176.30112.4E456 I457 L458 S462 E463 V464 L637 E641E456-K460 PolarHBondContact O-N 3.26Å; I457-K460 PolarHBondContact O-N 2.9Å; L458-K460 VanDerWaalsContact C-N 3.35Å; K460-S462 PolarHBondContact O-N 2.99Å; K460-E463 VanDerWaalsContact CD-OE2 3.3Å; K460-E463 WeakPolarHBondContact CD-OE2 3.35Å; K460-E463 IonicContact NZ-OE2 2.98Å; K460-E463 PolarHBondContact NZ-OE2 2.75Å; K460-E463 WeakPolarHBondContact O-CB 3.35Å; K460-E463 PolarHBondContact O-N 3.4Å; K460-V464 WeakPolarHBondContact O-CG2 3.23Å; K460-V464 PolarHBondContact O-N 2.87Å; K460-L637 HydrophobicContact CB-CD1 4.41Å; K460-L637 HydrophobicContact CG-CB 4.36Å; K460-E641 VanDerWaalsContact CE-CD 3.47Å; K460-E641 WeakPolarHBondContact CE-OE2 3.41Å; K460-E641 IonicContact NZ-OE1 2.98Å; K460-E641 PolarHBondContact NZ-OE1 3.09Å; K460-E641 IonicContact NZ-OE2 3.48Å; K460-E641 PolarHBondContact NZ-OE2 3.35Å
461K95.1Very high93.8Very high20 Ų2056.4 Ų56.49%0.08728%0.277CS..Hα-helixtrans-56.5-51174.2-173.7-165.872.2167.60110.8I457 L458 H459 E463 V464 F465 I515 E516 T519 L637I457-K461 VanDerWaalsContact O-CB 3.3Å; I457-K461 WeakPolarHBondContact O-CB 3.44Å; I457-K461 PolarHBondContact O-N 2.85Å; L458-K461 WeakPolarHBondContact O-CB 3.32Å; L458-K461 PolarHBondContact O-N 3.01Å; H459-K461 VanDerWaalsContact C-N 3.33Å; H459-K461 PolarHBondContact O-N 2.97Å; K461-E463 VanDerWaalsContact C-N 3.3Å; K461-E463 PolarHBondContact O-N 2.87Å; K461-V464 PolarHBondContact O-N 2.79Å; K461-F465 HydrophobicContact CD-CE2 4.05Å; K461-F465 HydrophobicContact CD-CZ 4.22Å; K461-F465 HydrophobicContact CG-CD2 3.72Å; K461-F465 HydrophobicContact CG-CE2 3.4Å; K461-F465 HydrophobicContact CG-CZ 4.06Å; K461-F465 WeakPolarHBondContact O-CB 3.32Å; K461-F465 WeakPolarHBondContact O-CD2 3.36Å; K461-F465 PolarHBondContact O-N 3.34Å; K461-I515 HydrophobicContact CG-CG2 4.45Å; K461-E516 WeakPolarHBondContact CE-OE2 3.33Å; K461-E516 IonicContact NZ-OE1 3.64Å; K461-E516 PolarHBondContact NZ-OE1 2.92Å; K461-E516 IonicContact NZ-OE2 2.73Å; K461-E516 PolarHBondContact NZ-OE2 2.8Å; K461-T519 HydrophobicContact CD-CG2 4.29Å; K461-L637 HydrophobicContact CB-CD1 3.95Å; K461-L637 HydrophobicContact CB-CD2 4.14Å; K461-L637 HydrophobicContact CG-CD2 4.18Å
462S94.8Very high93.6Very high78 Ų7854.1 Ų54.155%0.54527%0.269SS..Hα-helixtrans-61.3-38.2179.4-72.50000112.5L458 H459 K460 R466L458-S462 PolarHBondContact O-N 2.97Å; L458-S462 PolarHBondContact O-OG 2.76Å; H459-S462 PolarHBondContact O-N 3.42Å; K460-S462 PolarHBondContact O-N 2.99Å; S462-R466 WeakPolarHBondContact O-CB 3.4Å; S462-R466 PolarHBondContact O-N 3.33Å; S462-R466 VanDerWaalsContact O-N 3.09Å
463E94.4Very high93.5Very high65 Ų6554.5 Ų54.530%0.30427%0.271SS..Hα-helixtrans-61.3-51.2174-176.1-176.1-162.300111.7H459 K460 K461 R466 L467H459-E463 PolarHBondContact O-N 2.9Å; K460-E463 VanDerWaalsContact CD-OE2 3.3Å; K460-E463 WeakPolarHBondContact CD-OE2 3.35Å; K460-E463 IonicContact NZ-OE2 2.98Å; K460-E463 PolarHBondContact NZ-OE2 2.75Å; K460-E463 WeakPolarHBondContact O-CB 3.35Å; K460-E463 PolarHBondContact O-N 3.4Å; K461-E463 VanDerWaalsContact C-N 3.3Å; K461-E463 PolarHBondContact O-N 2.87Å; E463-R466 WeakPolarHBondContact O-CB 3.34Å; E463-R466 PolarHBondContact O-N 2.97Å; E463-L467 HydrophobicContact CG-CD1 4.26Å; E463-L467 WeakPolarHBondContact O-CG 3.14Å; E463-L467 PolarHBondContact O-N 2.68Å
464V93.9Very high93.1Very high0 Ų056.5 Ų56.50%028%0.279CS..Hα-helixtrans-64-43.1-178.9173.50000111.7K460 K461 R466 L467 C468 L637 V640 E641K460-V464 WeakPolarHBondContact O-CG2 3.23Å; K460-V464 PolarHBondContact O-N 2.87Å; K461-V464 PolarHBondContact O-N 2.79Å; V464-R466 VanDerWaalsContact C-N 3.29Å; V464-R466 PolarHBondContact O-N 2.93Å; V464-L467 PolarHBondContact O-N 3.46Å; V464-C468 PolarHBondContact O-N 3Å; V464-C468 PolarHBondContact O-SG 3.42Å; V464-C468 VanDerWaalsContact O-SG 3.33Å; V464-L637 HydrophobicContact CB-CD2 4.22Å; V464-L637 HydrophobicContact CG1-CD2 4.36Å; V464-L637 HydrophobicContact CG2-CD2 4.43Å; V464-V640 HydrophobicContact CG1-CB 4.01Å; V464-V640 HydrophobicContact CG1-CG1 3.5Å; V464-V640 VanDerWaalsContact CG1-CG1 3.5Å; V464-E641 HydrophobicContact CG2-CB 3.86Å; V464-E641 HydrophobicContact CG2-CG 4.39Å
465F93.9Very high92.7Very high56 Ų5655.9 Ų55.925%0.24628%0.277CS..Hα-helixtrans-61-40.9177-85.2-128.9000111.3K461 C468 S469 L512 E516K461-F465 HydrophobicContact CD-CE2 4.05Å; K461-F465 HydrophobicContact CD-CZ 4.22Å; K461-F465 HydrophobicContact CG-CD2 3.72Å; K461-F465 HydrophobicContact CG-CE2 3.4Å; K461-F465 HydrophobicContact CG-CZ 4.06Å; K461-F465 WeakPolarHBondContact O-CB 3.32Å; K461-F465 WeakPolarHBondContact O-CD2 3.36Å; K461-F465 PolarHBondContact O-N 3.34Å; F465-C468 PolarHBondContact O-N 2.87Å; F465-S469 WeakPolarHBondContact O-CB 3.3Å; F465-S469 PolarHBondContact O-N 3.34Å; F465-L512 HydrophobicContact CD1-CD1 4.08Å; F465-L512 HydrophobicContact CD2-CD1 3.88Å; F465-L512 HydrophobicContact CD2-CD2 3.95Å; F465-L512 HydrophobicContact CD2-CG 4.34Å; F465-L512 HydrophobicContact CE1-CB 3.98Å; F465-L512 HydrophobicContact CE1-CD1 4.24Å; F465-L512 HydrophobicContact CE2-CB 3.86Å; F465-L512 HydrophobicContact CE2-CD1 4.06Å; F465-L512 HydrophobicContact CE2-CD2 3.68Å; F465-L512 HydrophobicContact CE2-CG 4.07Å; F465-L512 HydrophobicContact CG-CD1 3.92Å; F465-L512 HydrophobicContact CZ-CB 3.57Å; F465-L512 HydrophobicContact CZ-CD1 4.25Å; F465-L512 HydrophobicContact CZ-CD2 4.31Å; F465-L512 HydrophobicContact CZ-CG 4.25Å; F465-E516 HydrophobicContact CZ-CB 4.45Å
466R93.2Very high92.3Very high138 Ų13856.8 Ų56.852%0.52128%0.278SS..Hα-helixtrans-63.8-44.3174.8-172.8-176.968.390.3-2.2111.4S462 E463 V464 S469 I470S462-R466 WeakPolarHBondContact O-CB 3.4Å; S462-R466 PolarHBondContact O-N 3.33Å; S462-R466 VanDerWaalsContact O-N 3.09Å; E463-R466 WeakPolarHBondContact O-CB 3.34Å; E463-R466 PolarHBondContact O-N 2.97Å; V464-R466 VanDerWaalsContact C-N 3.29Å; V464-R466 PolarHBondContact O-N 2.93Å; R466-S469 PolarHBondContact O-N 2.87Å; R466-I470 HydrophobicContact CG-CD1 4.08Å; R466-I470 VanDerWaalsContact O-CG1 3.31Å; R466-I470 WeakPolarHBondContact O-CG1 3.33Å; R466-I470 PolarHBondContact O-N 2.87Å
467L92.4Very high91.8Very high36 Ų3657.1 Ų57.119%0.18828%0.278CS..Hα-helixtrans-60.7-45176.3-73.8170.5000111.9E463 V464 S469 I470 C471 E641 V644E463-L467 HydrophobicContact CG-CD1 4.26Å; E463-L467 WeakPolarHBondContact O-CG 3.14Å; E463-L467 PolarHBondContact O-N 2.68Å; V464-L467 PolarHBondContact O-N 3.46Å; L467-S469 PolarHBondContact O-N 3.44Å; L467-I470 PolarHBondContact O-N 3.21Å; L467-C471 WeakPolarHBondContact O-CB 3.34Å; L467-C471 PolarHBondContact O-N 3.19Å; L467-E641 HydrophobicContact CD1-CG 4.32Å; L467-V644 HydrophobicContact CB-CG1 4.16Å
468C92.5Very high91.1Very high4 Ų456.8 Ų56.83%0.02728%0.277CS..Hα-helixtrans-58.1-48.8174.8-70.30000111.3V464 F465 I470 C471 T472 L512 V644V464-C468 PolarHBondContact O-N 3Å; V464-C468 PolarHBondContact O-SG 3.42Å; V464-C468 VanDerWaalsContact O-SG 3.33Å; F465-C468 PolarHBondContact O-N 2.87Å; C468-I470 VanDerWaalsContact C-N 3.34Å; C468-I470 PolarHBondContact O-N 3.4Å; C468-C471 WeakPolarHBondContact O-CB 3.24Å; C468-C471 PolarHBondContact O-N 3.16Å; C468-C471 VanDerWaalsContact O-N 3.16Å; C468-T472 PolarHBondContact O-N 3.29Å; C468-T472 PolarHBondContact O-OG1 2.91Å; C468-T472 VanDerWaalsContact O-OG1 3.09Å; C468-L512 HydrophobicContact CB-CD1 4.04Å; C468-V644 WeakPolarHBondContact SG-CG2 3.48Å
469S91.5Very high90.4Very high59 Ų5956.4 Ų56.441%0.41327%0.274SS..Hα-helixtrans-60-43.1-179.9-178.30000112.2F465 R466 L467 Q473F465-S469 WeakPolarHBondContact O-CB 3.3Å; F465-S469 PolarHBondContact O-N 3.34Å; R466-S469 PolarHBondContact O-N 2.87Å; L467-S469 PolarHBondContact O-N 3.44Å; S469-Q473 WeakPolarHBondContact O-CB 3.24Å; S469-Q473 WeakPolarHBondContact O-CG 3.36Å; S469-Q473 PolarHBondContact O-N 2.68Å
470I90.3Very high89.7Confident58 Ų5855.5 Ų55.530%0.29727%0.27SS..Hα-helixtrans-62.4-44.7175.2-68.5166.6000110.8R466 L467 C468 Q473 Q474 L648R466-I470 HydrophobicContact CG-CD1 4.08Å; R466-I470 VanDerWaalsContact O-CG1 3.31Å; R466-I470 WeakPolarHBondContact O-CG1 3.33Å; R466-I470 PolarHBondContact O-N 2.87Å; L467-I470 PolarHBondContact O-N 3.21Å; C468-I470 VanDerWaalsContact C-N 3.34Å; C468-I470 PolarHBondContact O-N 3.4Å; I470-Q473 PolarHBondContact O-N 2.9Å; I470-Q474 HydrophobicContact CG2-CG 4.36Å; I470-Q474 WeakPolarHBondContact O-CB 3.33Å; I470-Q474 VanDerWaalsContact O-CG 3.32Å; I470-Q474 WeakPolarHBondContact O-CG 3.46Å; I470-Q474 PolarHBondContact O-N 3.06Å; I470-L648 HydrophobicContact CG2-CD1 4.34Å
471C91Very high88.8Confident2 Ų258.7 Ų58.71%0.01429%0.289CS..Hα-helixtrans-61.2-48.9180-172.30000112L467 C468 Q473 Q474 L475 V644 L648L467-C471 WeakPolarHBondContact O-CB 3.34Å; L467-C471 PolarHBondContact O-N 3.19Å; C468-C471 WeakPolarHBondContact O-CB 3.24Å; C468-C471 PolarHBondContact O-N 3.16Å; C468-C471 VanDerWaalsContact O-N 3.16Å; C471-Q473 PolarHBondContact O-N 3.3Å; C471-Q474 PolarHBondContact O-N 3.17Å; C471-L475 WeakPolarHBondContact O-CG 3.38Å; C471-L475 PolarHBondContact O-N 2.9Å; C471-V644 HydrophobicContact CB-CG1 3.87Å; C471-L648 VanDerWaalsContact CA-CD1 3.47Å; C471-L648 HydrophobicContact CB-CD1 3.56Å
472T89.5Confident87.8Confident21 Ų2157.9 Ų57.913%0.12929%0.286CS..Hα-helixtrans-60-46.4177.1-53.30000111.2C468 Q474 L475 E476 L506C468-T472 PolarHBondContact O-N 3.29Å; C468-T472 PolarHBondContact O-OG1 2.91Å; C468-T472 VanDerWaalsContact O-OG1 3.09Å; T472-Q474 VanDerWaalsContact C-N 3.33Å; T472-Q474 PolarHBondContact O-N 2.91Å; T472-L475 PolarHBondContact O-N 3.35Å; T472-E476 WeakPolarHBondContact O-CB 3.47Å; T472-E476 PolarHBondContact O-N 2.96Å; T472-L506 HydrophobicContact CG2-CD2 4.07Å; T472-L506 HydrophobicContact CG2-CG 4.48Å
473Q88.9Confident86.8Confident98 Ų9858.2 Ų58.246%0.45828%0.278SS..Hα-helixtrans-62.9-36.4178-75.9179.41.900113.3S469 I470 C471 K477S469-Q473 WeakPolarHBondContact O-CB 3.24Å; S469-Q473 WeakPolarHBondContact O-CG 3.36Å; S469-Q473 PolarHBondContact O-N 2.68Å; I470-Q473 PolarHBondContact O-N 2.9Å; C471-Q473 PolarHBondContact O-N 3.3Å; Q473-K477 WeakPolarHBondContact O-CB 3.5Å; Q473-K477 VanDerWaalsContact O-CG 3.23Å; Q473-K477 WeakPolarHBondContact O-CG 3.08Å; Q473-K477 PolarHBondContact O-N 3.2Å; Q473-K477 VanDerWaalsContact O-N 3.12Å
474Q86.1Confident85.7Confident74 Ų7459 Ų5935%0.34629%0.288SS..Hα-helixtrans-69.8-40.8177.7-75.4-70.16.600111.8I470 C471 T472 A478I470-Q474 HydrophobicContact CG2-CG 4.36Å; I470-Q474 WeakPolarHBondContact O-CB 3.33Å; I470-Q474 VanDerWaalsContact O-CG 3.32Å; I470-Q474 WeakPolarHBondContact O-CG 3.46Å; I470-Q474 PolarHBondContact O-N 3.06Å; C471-Q474 PolarHBondContact O-N 3.17Å; T472-Q474 VanDerWaalsContact C-N 3.33Å; T472-Q474 PolarHBondContact O-N 2.91Å; Q474-A478 WeakPolarHBondContact O-CB 3.06Å; Q474-A478 PolarHBondContact O-N 3.46Å
475L87.5Confident84.4Confident0 Ų061.6 Ų61.60%030%0.301CS..Hα-helixtrans-69.3-41.8177.8-73.6167.6000112C471 T472 K477 A478 E479 I498 M501 H502 A505 A651C471-L475 WeakPolarHBondContact O-CG 3.38Å; C471-L475 PolarHBondContact O-N 2.9Å; T472-L475 PolarHBondContact O-N 3.35Å; L475-K477 VanDerWaalsContact C-N 3.34Å; L475-K477 PolarHBondContact O-N 3.35Å; L475-A478 PolarHBondContact O-N 2.91Å; L475-A478 VanDerWaalsContact O-N 3.16Å; L475-E479 WeakPolarHBondContact O-CB 3.34Å; L475-E479 PolarHBondContact O-N 2.87Å; L475-I498 HydrophobicContact CD2-CG2 4.25Å; L475-M501 HydrophobicContact CD1-CB 4.25Å; L475-M501 HydrophobicContact CD2-CB 3.92Å; L475-M501 HydrophobicContact CD2-CE 4.08Å; L475-H502 HydrophobicContact CB-CB 3.99Å; L475-A505 HydrophobicContact CD1-CB 3.76Å; L475-A651 HydrophobicContact CD2-CB 3.74Å; L475-A651 HydrophobicContact CG-CB 4.31Å
476E87.3Confident83Confident112 Ų11262.1 Ų62.152%0.52331%0.305SS..Hα-helixtrans-59.5-44.3174.3-175179.8-163.200111.4T472 A478 E479 H480T472-E476 WeakPolarHBondContact O-CB 3.47Å; T472-E476 PolarHBondContact O-N 2.96Å; E476-A478 PolarHBondContact O-N 3.45Å; E476-E479 PolarHBondContact O-N 2.8Å; E476-H480 WeakPolarHBondContact O-CB 3.37Å; E476-H480 PolarHBondContact O-N 3.34Å
477K83.8Confident81.5Confident128 Ų12863.7 Ų63.756%0.55732%0.318SS*.Hα-helixtrans-62-41.7173.9-75.4173.5-175.81780112.4Q473 L475 L481Q473-K477 WeakPolarHBondContact O-CB 3.5Å; Q473-K477 VanDerWaalsContact O-CG 3.23Å; Q473-K477 WeakPolarHBondContact O-CG 3.08Å; Q473-K477 PolarHBondContact O-N 3.2Å; Q473-K477 VanDerWaalsContact O-N 3.12Å; L475-K477 VanDerWaalsContact C-N 3.34Å; L475-K477 PolarHBondContact O-N 3.35Å; K477-L481 PolarHBondContact O-N 3.15Å
478A81.1Confident79.8Confident8 Ų865 Ų657%0.06633%0.334CS..Hα-helixtrans-67.8-42.6-179.700000112.1Q474 L475 E476 L481 L482 I498Q474-A478 WeakPolarHBondContact O-CB 3.06Å; Q474-A478 PolarHBondContact O-N 3.46Å; L475-A478 PolarHBondContact O-N 2.91Å; L475-A478 VanDerWaalsContact O-N 3.16Å; E476-A478 PolarHBondContact O-N 3.45Å; A478-L481 PolarHBondContact O-N 3.47Å; A478-L482 PolarHBondContact O-N 2.97Å; A478-I498 HydrophobicContact CB-CD1 3.77Å; A478-I498 HydrophobicContact CB-CG2 4.01Å
479E80.7Confident78.2Confident36 Ų3672.4 Ų72.417%0.16837%0.374CS..Hα-helixtrans-62.2-47.1176.7-167.4174.6-155.200110.4L475 E476 L481 L482 E483 Y495 I498 A499 H502L475-E479 WeakPolarHBondContact O-CB 3.34Å; L475-E479 PolarHBondContact O-N 2.87Å; E476-E479 PolarHBondContact O-N 2.8Å; E479-L481 VanDerWaalsContact C-N 3.33Å; E479-L481 PolarHBondContact O-N 2.88Å; E479-L482 PolarHBondContact O-N 3.33Å; E479-L482 VanDerWaalsContact O-N 3.13Å; E479-E483 PolarHBondContact O-N 2.95Å; E479-Y495 HydrophobicContact CG-CD2 4.46Å; E479-Y495 HydrophobicContact CG-CE2 3.75Å; E479-I498 HydrophobicContact CB-CG2 4.07Å; E479-A499 WeakPolarHBondContact OE1-CB 3.39Å; E479-H502 IonicContact OE2-CE1 2.69Å; E479-H502 IonicContact OE2-CG 3.59Å; E479-H502 IonicContact OE2-ND1 3.89Å; E479-H502 PolarHBondContact OE2-ND1 3.42Å
480H81.5Confident76.5Confident120 Ų12075.7 Ų75.756%0.55638%0.384SS*.Hα-helixtrans-61.4-39176.4-169.455.4000112.8E476 L482 E483 V484E476-H480 WeakPolarHBondContact O-CB 3.37Å; E476-H480 PolarHBondContact O-N 3.34Å; H480-L482 VanDerWaalsContact C-N 3.33Å; H480-L482 PolarHBondContact O-N 3.36Å; H480-E483 IonicContact ND1-OE2 2.66Å; H480-E483 PolarHBondContact O-N 2.83Å; H480-V484 WeakPolarHBondContact O-CG2 3.27Å; H480-V484 PolarHBondContact O-N 3.31Å
481L75.3Confident75Confident120 Ų12074.3 Ų74.363%0.62838%0.377SS*.Hα-helixtrans-63.4-40.3175.5-135.2103.4000111.6K477 A478 E479 V484 L485K477-L481 PolarHBondContact O-N 3.15Å; A478-L481 PolarHBondContact O-N 3.47Å; E479-L481 VanDerWaalsContact C-N 3.33Å; E479-L481 PolarHBondContact O-N 2.88Å; L481-V484 PolarHBondContact O-N 3.12Å; L481-L485 WeakPolarHBondContact O-CG 3.44Å; L481-L485 PolarHBondContact O-N 2.89Å
482L73.7Confident73.7Confident3 Ų379.1 Ų79.12%0.01641%0.407CS..Hα-helixtrans-71.9-35.6178.2-81.1164.1000112.9A478 E479 H480 V484 L485 M486 L491 Y495 I498 F658A478-L482 PolarHBondContact O-N 2.97Å; E479-L482 PolarHBondContact O-N 3.33Å; E479-L482 VanDerWaalsContact O-N 3.13Å; H480-L482 VanDerWaalsContact C-N 3.33Å; H480-L482 PolarHBondContact O-N 3.36Å; L482-V484 VanDerWaalsContact C-N 3.27Å; L482-V484 PolarHBondContact O-N 3.35Å; L482-L485 CarbonylContact O-C 3.56Å; L482-L485 PolarHBondContact O-N 3.18Å; L482-L485 VanDerWaalsContact O-N 3.12Å; L482-M486 WeakPolarHBondContact O-CB 3.47Å; L482-M486 WeakPolarHBondContact O-CG 3.43Å; L482-M486 PolarHBondContact O-N 3.16Å; L482-L491 HydrophobicContact CD2-CB 4.47Å; L482-L491 HydrophobicContact CD2-CD1 4.28Å; L482-Y495 HydrophobicContact CB-CD2 3.83Å; L482-I498 HydrophobicContact CD1-CB 4.15Å; L482-I498 HydrophobicContact CD1-CD1 3.6Å; L482-I498 HydrophobicContact CD1-CG1 4.06Å; L482-F658 HydrophobicContact CD1-CE1 4.13Å; L482-F658 HydrophobicContact CD1-CE2 4.33Å; L482-F658 HydrophobicContact CD1-CZ 3.66Å; L482-F658 HydrophobicContact CD2-CD1 4.21Å; L482-F658 HydrophobicContact CD2-CE1 3.59Å; L482-F658 HydrophobicContact CD2-CZ 4.01Å; L482-F658 HydrophobicContact CG-CE1 4.27Å; L482-F658 HydrophobicContact CG-CZ 4.19Å
483E74.2Confident72.8Confident84 Ų8481.8 Ų81.839%0.39343%0.426SS..Hα-helixtrans-57-43.4172.1-74.5-173.9145.600111.2E479 H480 L485 M486 Q487 Y495E479-E483 PolarHBondContact O-N 2.95Å; H480-E483 IonicContact ND1-OE2 2.66Å; H480-E483 PolarHBondContact O-N 2.83Å; E483-L485 VanDerWaalsContact C-N 3.34Å; E483-L485 PolarHBondContact O-N 3.45Å; E483-M486 PolarHBondContact O-N 2.72Å; E483-Q487 PolarHBondContact O-N 2.98Å; E483-Y495 HydrophobicContact CG-CE2 3.62Å
484V70.4Confident72Confident83 Ų8377.7 Ų77.750%0.50341%0.407SS..Hα-helixtrans-63.9-38.6176.1175.30000111.4H480 L481 L482H480-V484 WeakPolarHBondContact O-CG2 3.27Å; H480-V484 PolarHBondContact O-N 3.31Å; L481-V484 PolarHBondContact O-N 3.12Å; L482-V484 VanDerWaalsContact C-N 3.27Å; L482-V484 PolarHBondContact O-N 3.35Å
485L66.9Low71.5Confident54 Ų5476.6 Ų76.628%0.28340%0.4SS..Hα-helixtrans-75.6-29.7177.9-68.7171000113.4L481 L482 E483 Q487 A488L481-L485 WeakPolarHBondContact O-CG 3.44Å; L481-L485 PolarHBondContact O-N 2.89Å; L482-L485 CarbonylContact O-C 3.56Å; L482-L485 PolarHBondContact O-N 3.18Å; L482-L485 VanDerWaalsContact O-N 3.12Å; E483-L485 VanDerWaalsContact C-N 3.34Å; E483-L485 PolarHBondContact O-N 3.45Å; L485-Q487 VanDerWaalsContact C-N 3.34Å; L485-A488 CarbonylContact O-C 3.58Å; L485-A488 WeakPolarHBondContact O-CA 3.37Å; L485-A488 WeakPolarHBondContact O-CB 3.41Å; L485-A488 PolarHBondContact O-N 2.97Å
486M65.3Low71Confident66 Ų6683 Ų8333%0.32543%0.43SS..Hα-helixtrans-66.8-35174-82-176.466.800112L482 E483 A488 N489 L491 T492 Y495L482-M486 WeakPolarHBondContact O-CB 3.47Å; L482-M486 WeakPolarHBondContact O-CG 3.43Å; L482-M486 PolarHBondContact O-N 3.16Å; E483-M486 PolarHBondContact O-N 2.72Å; M486-A488 PolarHBondContact O-N 2.98Å; M486-A488 VanDerWaalsContact O-N 3.11Å; M486-N489 PolarHBondContact O-N 2.73Å; M486-L491 WeakPolarHBondContact CG-O 3.26Å; M486-T492 HydrophobicContact CE-CG2 4.43Å; M486-Y495 HydrophobicContact CE-CD1 4.31Å; M486-Y495 VanDerWaalsContact SD-CB 3.53Å; M486-Y495 HydrophobicContact SD-CD1 3.56Å; M486-Y495 VanDerWaalsContact SD-CD1 3.56Å; M486-Y495 HydrophobicContact SD-CD2 3.67Å; M486-Y495 HydrophobicContact SD-CE1 4.15Å; M486-Y495 HydrophobicContact SD-CE2 4.24Å; M486-Y495 HydrophobicContact SD-CG 3.27Å
487Q62.3Low70.8Confident171 Ų17180.7 Ų80.780%0.79942%0.421SS*.THydrogen-bonded Turntrans-60.8-16.6170.2-68.4177.43.500112.5E483 L485E483-Q487 PolarHBondContact O-N 2.98Å; L485-Q487 VanDerWaalsContact C-N 3.34Å
488A56.9Low70.7Confident63 Ų6374.7 Ų74.752%0.52140%0.395SS..THydrogen-bonded Turntrans-99.69.8173.800000114.6L485 M486 M490L485-A488 CarbonylContact O-C 3.58Å; L485-A488 WeakPolarHBondContact O-CA 3.37Å; L485-A488 WeakPolarHBondContact O-CB 3.41Å; L485-A488 PolarHBondContact O-N 2.97Å; M486-A488 PolarHBondContact O-N 2.98Å; M486-A488 VanDerWaalsContact O-N 3.11Å; A488-M490 WeakPolarHBondContact O-CG 3.26Å
489N57.8Low70.8Confident160 Ų16075.3 Ų75.386%0.85640%0.401SS*.THydrogen-bonded Turntrans70.624.2170.8-111.99.7000117.8M486M486-N489 PolarHBondContact O-N 2.73Å
490M55.9Low71.1Confident129 Ų12978.8 Ų78.864%0.63542%0.42SS*.  trans-110.5-22-166.5-67.3-67.8-7200117.9A488A488-M490 WeakPolarHBondContact O-CG 3.26Å
491L59.6Low71.4Confident28 Ų2873.4 Ų73.415%0.14740%0.396CS..  trans-154101.6-170-65.4167.8000113.2L482 M486 E494 F658 V662L482-L491 HydrophobicContact CD2-CB 4.47Å; L482-L491 HydrophobicContact CD2-CD1 4.28Å; M486-L491 WeakPolarHBondContact CG-O 3.26Å; L491-E494 WeakPolarHBondContact CD2-OE2 3.32Å; L491-F658 HydrophobicContact CD1-CD1 4.13Å; L491-F658 HydrophobicContact CD1-CE1 4.45Å; L491-V662 HydrophobicContact CD1-CG2 4.32Å
492T63.1Low72Confident103 Ų10368.7 Ų68.763%0.63237%0.37SS*.SBendtrans-99.5-38.2179.746.20000114.8M486 E496M486-T492 HydrophobicContact CE-CG2 4.43Å; T492-E496 PolarHBondContact O-N 2.69Å
493S70.9Confident72.7Confident77 Ų7774 Ų7454%0.53839%0.393SS..Hα-helixtrans-73.7-33.5-174.669.40000113.7Y495 E496 D497S493-Y495 VanDerWaalsContact C-N 3.34Å; S493-E496 PolarHBondContact O-N 3.28Å; S493-D497 PolarHBondContact O-N 2.9Å
494E71.6Confident73.5Confident13 Ų1374.9 Ų74.96%0.06140%0.396CS..Hα-helixtrans-75.2-27.2-178.5-67156.1170.600111.9L491 I498 F658 K661L491-E494 WeakPolarHBondContact CD2-OE2 3.32Å; E494-I498 WeakPolarHBondContact O-CG1 3.27Å; E494-I498 PolarHBondContact O-N 2.84Å; E494-I498 VanDerWaalsContact O-N 3.1Å; E494-F658 HydrophobicContact CB-CE1 3.72Å; E494-F658 HydrophobicContact CB-CZ 4.04Å; E494-F658 HydrophobicContact CG-CE1 4.23Å; E494-F658 WeakPolarHBondContact OE2-CE1 3.46Å; E494-K661 WeakPolarHBondContact OE1-CD 3.34Å; E494-K661 IonicContact OE1-NZ 3.74Å; E494-K661 PolarHBondContact OE1-NZ 3.34Å
495Y75.1Confident74.5Confident51 Ų5171.1 Ų71.120%0.237%0.374CS..Hα-helixtrans-65.2-46.6170.3176.6-98000111.6E479 L482 E483 M486 S493 D497 I498 A499E479-Y495 HydrophobicContact CG-CD2 4.46Å; E479-Y495 HydrophobicContact CG-CE2 3.75Å; L482-Y495 HydrophobicContact CB-CD2 3.83Å; E483-Y495 HydrophobicContact CG-CE2 3.62Å; M486-Y495 HydrophobicContact CE-CD1 4.31Å; M486-Y495 VanDerWaalsContact SD-CB 3.53Å; M486-Y495 HydrophobicContact SD-CD1 3.56Å; M486-Y495 VanDerWaalsContact SD-CD1 3.56Å; M486-Y495 HydrophobicContact SD-CD2 3.67Å; M486-Y495 HydrophobicContact SD-CE1 4.15Å; M486-Y495 HydrophobicContact SD-CE2 4.24Å; M486-Y495 HydrophobicContact SD-CG 3.27Å; S493-Y495 VanDerWaalsContact C-N 3.34Å; Y495-D497 VanDerWaalsContact C-N 3.3Å; Y495-D497 PolarHBondContact O-N 3.23Å; Y495-I498 PolarHBondContact O-N 3.06Å; Y495-A499 VanDerWaalsContact O-CB 3.28Å; Y495-A499 WeakPolarHBondContact O-CB 3.48Å; Y495-A499 PolarHBondContact O-N 3.1Å
496E78.3Confident75.5Confident135 Ų13572.5 Ų72.563%0.63138%0.381SS*.Hα-helixtrans-59.6-41.7177-69.7-175.3169.600111.7T492 S493 D500T492-E496 PolarHBondContact O-N 2.69Å; S493-E496 PolarHBondContact O-N 3.28Å; E496-D500 WeakPolarHBondContact O-CB 3.35Å; E496-D500 PolarHBondContact O-N 3.36Å
497D81.8Confident76.7Confident63 Ų6377.3 Ų77.334%0.33740%0.395SS..Hα-helixtrans-61.6-44.8175.9-93.6-34.4000112.6S493 Y495 M501 R650S493-D497 PolarHBondContact O-N 2.9Å; Y495-D497 VanDerWaalsContact C-N 3.3Å; Y495-D497 PolarHBondContact O-N 3.23Å; D497-M501 WeakPolarHBondContact O-CB 3.22Å; D497-M501 VanDerWaalsContact O-CG 3.23Å; D497-M501 WeakPolarHBondContact O-CG 3.42Å; D497-M501 PolarHBondContact O-N 2.75Å; D497-R650 IonicContact OD1-NH2 2.67Å; D497-R650 PolarHBondContact OD1-NH2 3.4Å; D497-R650 VanDerWaalsContact OD1-NH2 3.1Å; D497-R650 IonicContact OD2-NH2 3.82Å
498I82.3Confident78.1Confident1 Ų169.7 Ų69.71%0.00536%0.36CS..Hα-helixtrans-70.8-41178.9-68.6-160.3000111.7L475 A478 E479 L482 E494 Y495 D500 M501 H502 L654 F658L475-I498 HydrophobicContact CD2-CG2 4.25Å; A478-I498 HydrophobicContact CB-CD1 3.77Å; A478-I498 HydrophobicContact CB-CG2 4.01Å; E479-I498 HydrophobicContact CB-CG2 4.07Å; L482-I498 HydrophobicContact CD1-CB 4.15Å; L482-I498 HydrophobicContact CD1-CD1 3.6Å; L482-I498 HydrophobicContact CD1-CG1 4.06Å; E494-I498 WeakPolarHBondContact O-CG1 3.27Å; E494-I498 PolarHBondContact O-N 2.84Å; E494-I498 VanDerWaalsContact O-N 3.1Å; Y495-I498 PolarHBondContact O-N 3.06Å; I498-D500 VanDerWaalsContact C-N 3.34Å; I498-D500 PolarHBondContact O-N 3.23Å; I498-M501 PolarHBondContact O-N 3.49Å; I498-H502 WeakPolarHBondContact O-CB 3.33Å; I498-H502 PolarHBondContact O-N 3.03Å; I498-L654 HydrophobicContact CD1-CB 4.48Å; I498-L654 HydrophobicContact CG1-CD1 4.13Å; I498-F658 HydrophobicContact CD1-CE2 3.71Å; I498-F658 HydrophobicContact CD1-CZ 3.76Å
499A83.2Confident79.6Confident22 Ų2269 Ų6918%0.18235%0.352CS..Hα-helixtrans-61.4-42.417600000111.4E479 Y495 H502 K503E479-A499 WeakPolarHBondContact OE1-CB 3.39Å; Y495-A499 VanDerWaalsContact O-CB 3.28Å; Y495-A499 WeakPolarHBondContact O-CB 3.48Å; Y495-A499 PolarHBondContact O-N 3.1Å; A499-H502 PolarHBondContact O-N 3.28Å; A499-K503 VanDerWaalsContact O-CB 3.32Å; A499-K503 WeakPolarHBondContact O-CB 3.48Å; A499-K503 PolarHBondContact O-N 3.41Å
500D86.9Confident81.1Confident109 Ų10965.1 Ų65.158%0.58334%0.336SS*.Hα-helixtrans-65.8-39.4175.2-96.8-4.4000112.3E496 I498 K504E496-D500 WeakPolarHBondContact O-CB 3.35Å; E496-D500 PolarHBondContact O-N 3.36Å; I498-D500 VanDerWaalsContact C-N 3.34Å; I498-D500 PolarHBondContact O-N 3.23Å; D500-K504 WeakPolarHBondContact O-CB 3.43Å; D500-K504 PolarHBondContact O-N 3.28Å
501M87.1Confident82.6Confident7 Ų761.5 Ų61.53%0.03432%0.324CS..Hα-helixtrans-64.3-43.5173.5-75177.462.500112.2L475 D497 I498 K504 A505 L647 R650 A651 L654L475-M501 HydrophobicContact CD1-CB 4.25Å; L475-M501 HydrophobicContact CD2-CB 3.92Å; L475-M501 HydrophobicContact CD2-CE 4.08Å; D497-M501 WeakPolarHBondContact O-CB 3.22Å; D497-M501 VanDerWaalsContact O-CG 3.23Å; D497-M501 WeakPolarHBondContact O-CG 3.42Å; D497-M501 PolarHBondContact O-N 2.75Å; I498-M501 PolarHBondContact O-N 3.49Å; M501-K504 WeakPolarHBondContact O-CB 3.22Å; M501-K504 PolarHBondContact O-N 3.41Å; M501-A505 PolarHBondContact O-N 3.23Å; M501-L647 HydrophobicContact CB-CD2 4.34Å; M501-L647 HydrophobicContact CE-CD2 4.14Å; M501-L647 WeakPolarHBondContact CE-O 3.47Å; M501-L647 HydrophobicContact CG-CD2 4.16Å; M501-R650 HydrophobicContact CE-CB 3.67Å; M501-R650 HydrophobicContact CE-CG 3.83Å; M501-R650 HydrophobicContact SD-CB 4.28Å; M501-R650 HydrophobicContact SD-CG 3.73Å; M501-A651 HydrophobicContact CE-CB 3.87Å; M501-L654 HydrophobicContact SD-CD1 3.82Å
502H87.8Confident84.1Confident20 Ų2060.5 Ų60.59%0.09332%0.319CS..Hα-helixtrans-63-45.2177.2-173.8-162.8000111L475 E479 I498 A499 K504 A505 L506L475-H502 HydrophobicContact CB-CB 3.99Å; E479-H502 IonicContact OE2-CE1 2.69Å; E479-H502 IonicContact OE2-CG 3.59Å; E479-H502 IonicContact OE2-ND1 3.89Å; E479-H502 PolarHBondContact OE2-ND1 3.42Å; I498-H502 WeakPolarHBondContact O-CB 3.33Å; I498-H502 PolarHBondContact O-N 3.03Å; A499-H502 PolarHBondContact O-N 3.28Å; H502-K504 VanDerWaalsContact C-N 3.26Å; H502-K504 PolarHBondContact O-N 3.14Å; H502-A505 PolarHBondContact O-N 2.97Å; H502-A505 VanDerWaalsContact O-N 3.11Å; H502-L506 PolarHBondContact O-N 3.08Å
503K89.8Confident85.3Confident115 Ų11560.1 Ų60.150%0.531%0.313SS..Hα-helixtrans-58.3-38173.6-171.5176.9-174.9175.10112.2A499 R507A499-K503 VanDerWaalsContact O-CB 3.32Å; A499-K503 WeakPolarHBondContact O-CB 3.48Å; A499-K503 PolarHBondContact O-N 3.41Å; K503-R507 WeakPolarHBondContact O-CG 3.23Å; K503-R507 PolarHBondContact O-N 2.88Å; K503-R507 VanDerWaalsContact O-N 3.15Å
504K91.4Very high86.4Confident102 Ų10259.5 Ų59.544%0.44331%0.307SS..Hα-helixtrans-68.9-42.3174.4-169.1172.6174.2-173.90112D500 M501 H502 L506 R507 I508 L647D500-K504 WeakPolarHBondContact O-CB 3.43Å; D500-K504 PolarHBondContact O-N 3.28Å; M501-K504 WeakPolarHBondContact O-CB 3.22Å; M501-K504 PolarHBondContact O-N 3.41Å; H502-K504 VanDerWaalsContact C-N 3.26Å; H502-K504 PolarHBondContact O-N 3.14Å; K504-L506 PolarHBondContact O-N 2.79Å; K504-R507 WeakPolarHBondContact O-CB 3.41Å; K504-R507 PolarHBondContact O-N 2.87Å; K504-I508 HydrophobicContact CG-CD1 4.38Å; K504-I508 WeakPolarHBondContact O-CG1 3.32Å; K504-I508 PolarHBondContact O-N 3.11Å; K504-L647 HydrophobicContact CD-CD1 4.47Å; K504-L647 HydrophobicContact CD-CD2 4.25Å; K504-L647 HydrophobicContact CG-CD1 4.24Å
505A89.6Confident87.4Confident5 Ų559 Ų594%0.04131%0.305CS..Hα-helixtrans-61.9-41.2175.600000112.2L475 M501 H502 R507 I508 S509 L647L475-A505 HydrophobicContact CD1-CB 3.76Å; M501-A505 PolarHBondContact O-N 3.23Å; H502-A505 PolarHBondContact O-N 2.97Å; H502-A505 VanDerWaalsContact O-N 3.11Å; A505-R507 PolarHBondContact O-N 3.41Å; A505-I508 PolarHBondContact O-N 3.07Å; A505-S509 PolarHBondContact O-N 3.41Å; A505-L647 HydrophobicContact CB-CD1 4.42Å
506L89.6Confident88.2Confident83 Ų8359.1 Ų59.144%0.43531%0.307SS..Hα-helixtrans-61.8-42.7174-76.1166.3000112.1T472 H502 K504 I508 S509 S510T472-L506 HydrophobicContact CG2-CD2 4.07Å; T472-L506 HydrophobicContact CG2-CG 4.48Å; H502-L506 PolarHBondContact O-N 3.08Å; K504-L506 PolarHBondContact O-N 2.79Å; L506-I508 VanDerWaalsContact C-N 3.33Å; L506-I508 PolarHBondContact O-N 2.53Å; L506-S509 WeakPolarHBondContact O-CB 3.5Å; L506-S509 PolarHBondContact O-N 2.87Å; L506-S510 PolarHBondContact O-N 3.01Å; L506-S510 PolarHBondContact O-OG 3.29Å
507R90.6Very high89Confident167 Ų16760.6 Ų60.663%0.6331%0.307SS*.Hα-helixtrans-61.2-41.1174.6-74.1172.6-179.1173.3-0.8112.4K503 K504 A505 S510 S511K503-R507 WeakPolarHBondContact O-CG 3.23Å; K503-R507 PolarHBondContact O-N 2.88Å; K503-R507 VanDerWaalsContact O-N 3.15Å; K504-R507 WeakPolarHBondContact O-CB 3.41Å; K504-R507 PolarHBondContact O-N 2.87Å; A505-R507 PolarHBondContact O-N 3.41Å; R507-S510 PolarHBondContact O-N 3.48Å; R507-S511 PolarHBondContact O-N 2.87Å; R507-S511 VanDerWaalsContact O-N 3.14Å
508I90.5Very high89.6Confident11 Ų1160 Ų606%0.05631%0.305CS..Hα-helixtrans-65.4-41.2174.7-67.1166.9000110.2K504 A505 L506 S510 S511 V640 E643 V644 L647K504-I508 HydrophobicContact CG-CD1 4.38Å; K504-I508 WeakPolarHBondContact O-CG1 3.32Å; K504-I508 PolarHBondContact O-N 3.11Å; A505-I508 PolarHBondContact O-N 3.07Å; L506-I508 VanDerWaalsContact C-N 3.33Å; L506-I508 PolarHBondContact O-N 2.53Å; I508-S510 VanDerWaalsContact C-N 3.28Å; I508-S510 PolarHBondContact O-N 3.48Å; I508-S511 PolarHBondContact O-N 3.32Å; I508-S511 PolarHBondContact O-OG 2.8Å; I508-V640 HydrophobicContact CG2-CG1 3.62Å; I508-E643 HydrophobicContact CD1-CB 4.03Å; I508-V644 HydrophobicContact CD1-CG2 4.45Å; I508-V644 HydrophobicContact CG2-CG2 3.74Å; I508-L647 HydrophobicContact CD1-CD1 3.53Å
509S89.3Confident90.1Very high49 Ų4960 Ų6034%0.34331%0.306SS..Hα-helixtrans-60-39.5175-166.20000111.8A505 L506 S511 L512A505-S509 PolarHBondContact O-N 3.41Å; L506-S509 WeakPolarHBondContact O-CB 3.5Å; L506-S509 PolarHBondContact O-N 2.87Å; S509-S511 VanDerWaalsContact C-N 3.28Å; S509-S511 PolarHBondContact O-N 3.46Å; S509-L512 VanDerWaalsContact O-CB 3.3Å; S509-L512 WeakPolarHBondContact O-CB 3.41Å; S509-L512 PolarHBondContact O-N 2.95Å
510S87.9Confident90.6Very high77 Ų7764.1 Ų64.154%0.53832%0.321SS..Hα-helixtrans-68.2-24.7174.8-55.30000113.5L506 R507 I508 L512L506-S510 PolarHBondContact O-N 3.01Å; L506-S510 PolarHBondContact O-OG 3.29Å; R507-S510 PolarHBondContact O-N 3.48Å; I508-S510 VanDerWaalsContact C-N 3.28Å; I508-S510 PolarHBondContact O-N 3.48Å; S510-L512 PolarHBondContact O-N 2.87Å
511S87.9Confident91Very high53 Ų5362.2 Ų62.237%0.37131%0.311SS..THydrogen-bonded Turntrans-76.8-5.5176.277.80000113.4R507 I508 S509 P514R507-S511 PolarHBondContact O-N 2.87Å; R507-S511 VanDerWaalsContact O-N 3.14Å; I508-S511 PolarHBondContact O-N 3.32Å; I508-S511 PolarHBondContact O-OG 2.8Å; S509-S511 VanDerWaalsContact C-N 3.28Å; S509-S511 PolarHBondContact O-N 3.46Å; S511-P514 WeakPolarHBondContact O-CD 3.31Å
512L91Very high91.3Very high7 Ų761.9 Ų61.94%0.03731%0.309CS..Hα-helixtrans-78.9-27.1174.5-61.3-177.9000113.4F465 C468 S509 S510 I515 E516 V640F465-L512 HydrophobicContact CD1-CD1 4.08Å; F465-L512 HydrophobicContact CD2-CD1 3.88Å; F465-L512 HydrophobicContact CD2-CD2 3.95Å; F465-L512 HydrophobicContact CD2-CG 4.34Å; F465-L512 HydrophobicContact CE1-CB 3.98Å; F465-L512 HydrophobicContact CE1-CD1 4.24Å; F465-L512 HydrophobicContact CE2-CB 3.86Å; F465-L512 HydrophobicContact CE2-CD1 4.06Å; F465-L512 HydrophobicContact CE2-CD2 3.68Å; F465-L512 HydrophobicContact CE2-CG 4.07Å; F465-L512 HydrophobicContact CG-CD1 3.92Å; F465-L512 HydrophobicContact CZ-CB 3.57Å; F465-L512 HydrophobicContact CZ-CD1 4.25Å; F465-L512 HydrophobicContact CZ-CD2 4.31Å; F465-L512 HydrophobicContact CZ-CG 4.25Å; C468-L512 HydrophobicContact CB-CD1 4.04Å; S509-L512 VanDerWaalsContact O-CB 3.3Å; S509-L512 WeakPolarHBondContact O-CB 3.41Å; S509-L512 PolarHBondContact O-N 2.95Å; S510-L512 PolarHBondContact O-N 2.87Å; L512-I515 HydrophobicContact CD2-CD1 4.24Å; L512-I515 WeakPolarHBondContact O-CB 3.39Å; L512-I515 PolarHBondContact O-N 3.32Å; L512-I515 VanDerWaalsContact O-N 3.1Å; L512-E516 PolarHBondContact O-N 2.82Å; L512-V640 HydrophobicContact CD2-CG1 4.08Å
513D89.6Confident91.6Very high96 Ų9666.4 Ų66.451%0.51333%0.328SS..Hα-helixtrans-62.2-40.9-178-68.5-26.6000114I515 E516 R517D513-I515 VanDerWaalsContact C-N 3.33Å; D513-E516 PolarHBondContact O-N 3.42Å; D513-R517 PolarHBondContact O-N 3.03Å; D513-R517 VanDerWaalsContact O-N 3.15Å; D513-R517 PolarHBondContact O-NE 3.34Å
514P92.8Very high91.8Very high63 Ų6363.8 Ų63.841%0.40933%0.325SS..Hα-helixtrans-61.5-39.8171.2-23.134.9000112.6S511 E516 R517 T518S511-P514 WeakPolarHBondContact O-CD 3.31Å; P514-E516 VanDerWaalsContact C-N 3.34Å; P514-E516 PolarHBondContact O-N 3.45Å; P514-R517 PolarHBondContact O-N 2.66Å; P514-T518 PolarHBondContact O-N 3.5Å; P514-T518 PolarHBondContact O-OG1 2.86Å; P514-T518 VanDerWaalsContact O-OG1 3.12Å
515I93.1Very high91.9Very high4 Ų460 Ų602%0.02131%0.308CS..Hα-helixtrans-62.1-43.9178.8-61.8176.1000110K461 L512 D513 T518 T519 L633 Q636 L637K461-I515 HydrophobicContact CG-CG2 4.45Å; L512-I515 HydrophobicContact CD2-CD1 4.24Å; L512-I515 WeakPolarHBondContact O-CB 3.39Å; L512-I515 PolarHBondContact O-N 3.32Å; L512-I515 VanDerWaalsContact O-N 3.1Å; D513-I515 VanDerWaalsContact C-N 3.33Å; I515-T518 PolarHBondContact O-N 2.99Å; I515-T519 VanDerWaalsContact O-CB 3.3Å; I515-T519 WeakPolarHBondContact O-CB 3.42Å; I515-T519 PolarHBondContact O-N 3.36Å; I515-T519 PolarHBondContact O-OG1 3.2Å; I515-L633 HydrophobicContact CG2-CD2 3.98Å; I515-Q636 HydrophobicContact CD1-CB 4.15Å; I515-L637 HydrophobicContact CD1-CD2 4.32Å; I515-L637 HydrophobicContact CG2-CD2 4.03Å; I515-L637 HydrophobicContact CG2-CG 4.41Å
516E92.9Very high92.1Very high53 Ų5361.1 Ų61.125%0.24831%0.312CS..Hα-helixtrans-59.9-48.7176.1-175.758.4-145.100111.5K461 F465 L512 D513 P514 T518 T519 Q520K461-E516 WeakPolarHBondContact CE-OE2 3.33Å; K461-E516 IonicContact NZ-OE1 3.64Å; K461-E516 PolarHBondContact NZ-OE1 2.92Å; K461-E516 IonicContact NZ-OE2 2.73Å; K461-E516 PolarHBondContact NZ-OE2 2.8Å; F465-E516 HydrophobicContact CZ-CB 4.45Å; L512-E516 PolarHBondContact O-N 2.82Å; D513-E516 PolarHBondContact O-N 3.42Å; P514-E516 VanDerWaalsContact C-N 3.34Å; P514-E516 PolarHBondContact O-N 3.45Å; E516-T518 PolarHBondContact O-N 2.81Å; E516-T519 WeakPolarHBondContact O-CB 3.2Å; E516-T519 PolarHBondContact O-N 2.75Å; E516-Q520 WeakPolarHBondContact O-CG 3.27Å; E516-Q520 PolarHBondContact O-N 2.91Å; E516-Q520 PolarHBondContact OE1-NE2 3.5Å
517R93.6Very high92.1Very high166 Ų16661.6 Ų61.663%0.62632%0.315SS*.Hα-helixtrans-60.4-46.1179-77.7-176.5-90.4-171.8-9.3112.3D513 P514 T519 Q520 D521D513-R517 PolarHBondContact O-N 3.03Å; D513-R517 VanDerWaalsContact O-N 3.15Å; D513-R517 PolarHBondContact O-NE 3.34Å; P514-R517 PolarHBondContact O-N 2.66Å; R517-T519 VanDerWaalsContact C-N 3.32Å; R517-T519 PolarHBondContact O-N 3.29Å; R517-Q520 PolarHBondContact O-N 3.2Å; R517-D521 PolarHBondContact O-N 2.79Å
518T93.9Very high91.8Very high49 Ų4959.7 Ų59.730%0.30132%0.324SS..Hα-helixtrans-66.2-36.3177.8-58.30000111.7P514 I515 E516 Q520 D521 V522 L633P514-T518 PolarHBondContact O-N 3.5Å; P514-T518 PolarHBondContact O-OG1 2.86Å; P514-T518 VanDerWaalsContact O-OG1 3.12Å; I515-T518 PolarHBondContact O-N 2.99Å; E516-T518 PolarHBondContact O-N 2.81Å; T518-Q520 VanDerWaalsContact C-N 3.33Å; T518-Q520 PolarHBondContact O-N 3.45Å; T518-D521 PolarHBondContact O-N 2.8Å; T518-V522 WeakPolarHBondContact O-CG2 3.36Å; T518-V522 PolarHBondContact O-N 3Å; T518-L633 HydrophobicContact CG2-CD1 4.05Å; T518-L633 HydrophobicContact CG2-CD2 3.87Å; T518-L633 HydrophobicContact CG2-CG 4.06Å
519T94.3Very high91.3Very high2 Ų263.1 Ų63.11%0.01236%0.362CS..Hα-helixtrans-64.1-38.3175.6-59.70000112.1Y454 L458 K461 I515 E516 R517 K523Y454-T519 HydrophobicContact CE2-CG2 3.87Å; Y454-T519 WeakPolarHBondContact CE2-O 3.34Å; Y454-T519 PolarHBondContact OH-O 2.96Å; Y454-T519 VanDerWaalsContact OH-O 3.12Å; L458-T519 HydrophobicContact CD2-CG2 3.32Å; L458-T519 HydrophobicContact CG-CG2 4.36Å; K461-T519 HydrophobicContact CD-CG2 4.29Å; I515-T519 VanDerWaalsContact O-CB 3.3Å; I515-T519 WeakPolarHBondContact O-CB 3.42Å; I515-T519 PolarHBondContact O-N 3.36Å; I515-T519 PolarHBondContact O-OG1 3.2Å; E516-T519 WeakPolarHBondContact O-CB 3.2Å; E516-T519 PolarHBondContact O-N 2.75Å; R517-T519 VanDerWaalsContact C-N 3.32Å; R517-T519 PolarHBondContact O-N 3.29Å; T519-K523 PolarHBondContact O-N 3.36Å
520Q93.8Very high91.2Very high109 Ų10961.5 Ų61.551%0.50935%0.353SS..Hα-helixtrans-70.9-40.2174.6-70.9175.52.800112.2E516 R517 T518 V522 K523 S524E516-Q520 WeakPolarHBondContact O-CG 3.27Å; E516-Q520 PolarHBondContact O-N 2.91Å; E516-Q520 PolarHBondContact OE1-NE2 3.5Å; R517-Q520 PolarHBondContact O-N 3.2Å; T518-Q520 VanDerWaalsContact C-N 3.33Å; T518-Q520 PolarHBondContact O-N 3.45Å; Q520-V522 VanDerWaalsContact C-N 3.34Å; Q520-V522 PolarHBondContact O-N 3.5Å; Q520-K523 WeakPolarHBondContact O-CB 3.37Å; Q520-K523 PolarHBondContact O-N 2.99Å; Q520-S524 PolarHBondContact O-N 3.18Å; Q520-S524 VanDerWaalsContact O-N 3.08Å
521D93.9Very high91.3Very high68 Ų6861.3 Ų61.336%0.36435%0.349SS..Hα-helixtrans-56-49.8172.2174.462.9000110.6R517 T518 K523 S524 K525R517-D521 PolarHBondContact O-N 2.79Å; T518-D521 PolarHBondContact O-N 2.8Å; D521-K523 VanDerWaalsContact C-N 3.34Å; D521-K523 PolarHBondContact O-N 2.99Å; D521-S524 WeakPolarHBondContact O-CB 3.41Å; D521-S524 PolarHBondContact O-N 3.02Å; D521-S524 VanDerWaalsContact O-N 3.15Å; D521-S524 PolarHBondContact O-OG 3.28Å; D521-K525 PolarHBondContact O-N 3.48Å; D521-K525 WeakPolarHBondContact OD2-CE 3.45Å; D521-K525 IonicContact OD2-NZ 3.39Å; D521-K525 PolarHBondContact OD2-NZ 2.88Å
522V94.3Very high91.4Very high0 Ų058.9 Ų58.90%033%0.331CS..Hα-helixtrans-61.8-41178.2173.40000111.7Y454 T518 Q520 S524 K525 F526 V626 Q629 L630 L633Y454-V522 HydrophobicContact CD2-CB 4.43Å; Y454-V522 HydrophobicContact CD2-CG1 3.71Å; Y454-V522 HydrophobicContact CE2-CB 4.25Å; Y454-V522 HydrophobicContact CE2-CG1 3.99Å; T518-V522 WeakPolarHBondContact O-CG2 3.36Å; T518-V522 PolarHBondContact O-N 3Å; Q520-V522 VanDerWaalsContact C-N 3.34Å; Q520-V522 PolarHBondContact O-N 3.5Å; V522-S524 VanDerWaalsContact C-N 3.27Å; V522-S524 PolarHBondContact O-N 3.29Å; V522-K525 WeakPolarHBondContact O-CB 3.33Å; V522-K525 PolarHBondContact O-N 3.17Å; V522-K525 VanDerWaalsContact O-N 3.08Å; V522-F526 HydrophobicContact CG1-CD2 4.42Å; V522-F526 HydrophobicContact CG1-CE2 3.72Å; V522-F526 VanDerWaalsContact O-CD2 3.3Å; V522-F526 WeakPolarHBondContact O-CD2 3.45Å; V522-V626 HydrophobicContact CG1-CG1 4.1Å; V522-Q629 HydrophobicContact CG2-CB 4.31Å; V522-L630 HydrophobicContact CG1-CD2 3.74Å; V522-L630 HydrophobicContact CG1-CG 4.36Å; V522-L633 HydrophobicContact CG2-CD1 4.44Å
523K94.1Very high91.4Very high115 Ų11559.9 Ų59.950%0.534%0.338SS..Hα-helixtrans-53.5-46174.3-163.2177176.21770111.7Y454 T519 Q520 D521 K525 F526Y454-K523 HydrophobicContact CE1-CG 4.34Å; Y454-K523 VanDerWaalsContact OH-CB 3.29Å; Y454-K523 WeakPolarHBondContact OH-CB 3.43Å; T519-K523 PolarHBondContact O-N 3.36Å; Q520-K523 WeakPolarHBondContact O-CB 3.37Å; Q520-K523 PolarHBondContact O-N 2.99Å; D521-K523 VanDerWaalsContact C-N 3.34Å; D521-K523 PolarHBondContact O-N 2.99Å; K523-K525 PolarHBondContact O-N 2.86Å; K523-F526 PolarHBondContact O-N 3.45Å
524S94.4Very high91.5Very high60 Ų6057.9 Ų57.942%0.4233%0.327SS..Hα-helixtrans-61.3-26.7-177.579.90000113Q520 D521 V522 F526 L527Q520-S524 PolarHBondContact O-N 3.18Å; Q520-S524 VanDerWaalsContact O-N 3.08Å; D521-S524 WeakPolarHBondContact O-CB 3.41Å; D521-S524 PolarHBondContact O-N 3.02Å; D521-S524 VanDerWaalsContact O-N 3.15Å; D521-S524 PolarHBondContact O-OG 3.28Å; V522-S524 VanDerWaalsContact C-N 3.27Å; V522-S524 PolarHBondContact O-N 3.29Å; S524-F526 VanDerWaalsContact C-N 3.3Å; S524-F526 PolarHBondContact O-N 3.36Å; S524-L527 PolarHBondContact O-N 2.99Å
525K93.8Very high91.5Very high22 Ų2257.8 Ų57.810%0.09633%0.328CS..Hα-helixtrans-70.7-25-179.4-59.8-179.3-172.3171.60113.3D521 V522 K523 G530 V531 L532 V626D521-K525 PolarHBondContact O-N 3.48Å; D521-K525 WeakPolarHBondContact OD2-CE 3.45Å; D521-K525 IonicContact OD2-NZ 3.39Å; D521-K525 PolarHBondContact OD2-NZ 2.88Å; V522-K525 WeakPolarHBondContact O-CB 3.33Å; V522-K525 PolarHBondContact O-N 3.17Å; V522-K525 VanDerWaalsContact O-N 3.08Å; K523-K525 PolarHBondContact O-N 2.86Å; K525-G530 CarbonylContact O-C 3.58Å; K525-V531 HydrophobicContact CB-CG2 3.75Å; K525-V531 HydrophobicContact CD-CG2 3.95Å; K525-V531 HydrophobicContact CG-CG2 3.72Å; K525-V531 PolarHBondContact O-N 3.49Å; K525-L532 HydrophobicContact CB-CG 4.37Å; K525-L532 WeakPolarHBondContact O-CB 3.44Å; K525-L532 PolarHBondContact O-N 2.95Å; K525-V626 HydrophobicContact CD-CG1 4.49Å; K525-V626 HydrophobicContact CD-CG2 3.44Å; K525-V626 VanDerWaalsContact CD-CG2 3.44Å
526F91.9Very high91.5Very high30 Ų3059 Ų5913%0.13233%0.332CS..Hα-helixtrans-92-12.2178.1-63.4-72.2000113.8M450 K451 Y454 V522 K523 S524 L532M450-F526 HydrophobicContact CB-CE1 3.79Å; M450-F526 HydrophobicContact CB-CZ 3.85Å; M450-F526 HydrophobicContact CE-CE1 4.45Å; M450-F526 HydrophobicContact CE-CZ 4.21Å; K451-F526 HydrophobicContact CG-CD1 4.03Å; K451-F526 HydrophobicContact CG-CE1 4.3Å; K451-F526 HydrophobicContact CG-CG 4.39Å; Y454-F526 HydrophobicContact CG-CE2 4.3Å; V522-F526 HydrophobicContact CG1-CD2 4.42Å; V522-F526 HydrophobicContact CG1-CE2 3.72Å; V522-F526 VanDerWaalsContact O-CD2 3.3Å; V522-F526 WeakPolarHBondContact O-CD2 3.45Å; K523-F526 PolarHBondContact O-N 3.45Å; S524-F526 VanDerWaalsContact C-N 3.3Å; S524-F526 PolarHBondContact O-N 3.36Å; F526-L532 HydrophobicContact CD1-CB 4.15Å; F526-L532 HydrophobicContact CD1-CD1 4.12Å; F526-L532 HydrophobicContact CE1-CB 4.32Å; F526-L532 HydrophobicContact CE1-CD1 3.56Å; F526-L532 HydrophobicContact CZ-CD1 3.86Å
527L90.4Very high91.6Very high93 Ų9356.5 Ų56.549%0.48732%0.321SS..SBendtrans-72.8159.7178.4-66.7178.2000111.2S524 G529 G530 T533S524-L527 PolarHBondContact O-N 2.99Å; L527-G529 PolarHBondContact O-N 3.3Å; L527-G530 WeakPolarHBondContact O-CA 3.42Å; L527-G530 PolarHBondContact O-N 3.23Å; L527-T533 WeakPolarHBondContact O-CG2 3.37Å
528P85.2Confident91.5Very high126 Ų12653.5 Ų53.582%0.81831%0.314SS*.THydrogen-bonded Turntrans-52.2130.5172.3-2635000111.7G530P528-G530 VanDerWaalsContact C-N 3.27Å
529G79.8Confident91.5Very high84 Ų8458.7 Ų58.787%0.86633%0.334SS*.THydrogen-bonded Turntrans84.1-6.4-173.300000114.8L527L527-G529 PolarHBondContact O-N 3.3Å
530G87.1Confident91.5Very high15 Ų1559.8 Ų59.816%0.15534%0.341CS..SBendtrans-71.7166172.300000113.5K525 L527 P528 L532 T533K525-G530 CarbonylContact O-C 3.58Å; L527-G530 WeakPolarHBondContact O-CA 3.42Å; L527-G530 PolarHBondContact O-N 3.23Å; P528-G530 VanDerWaalsContact C-N 3.27Å; G530-L532 VanDerWaalsContact C-N 3.31Å; G530-L532 PolarHBondContact O-N 3.01Å; G530-T533 WeakPolarHBondContact O-CG2 3.34Å; G530-T533 PolarHBondContact O-OG1 3.42Å
531V89.6Confident91.5Very high72 Ų7255.2 Ų55.244%0.43632%0.323SS..THydrogen-bonded Turntrans-72.8-17.6-175.1-64.80000114.5K525 K622K525-V531 HydrophobicContact CB-CG2 3.75Å; K525-V531 HydrophobicContact CD-CG2 3.95Å; K525-V531 HydrophobicContact CG-CG2 3.72Å; K525-V531 PolarHBondContact O-N 3.49Å; V531-K622 HydrophobicContact CB-CD 4.35Å
532L90.4Very high91.7Very high2 Ų252.3 Ų52.31%0.0131%0.308CS..THydrogen-bonded Turntrans-107.748.1178.3-63.3-174.1000111.9M450 K525 F526 G530 K622 V623 V626M450-L532 HydrophobicContact CE-CD1 3.54Å; M450-L532 HydrophobicContact SD-CD1 4.34Å; K525-L532 HydrophobicContact CB-CG 4.37Å; K525-L532 WeakPolarHBondContact O-CB 3.44Å; K525-L532 PolarHBondContact O-N 2.95Å; F526-L532 HydrophobicContact CD1-CB 4.15Å; F526-L532 HydrophobicContact CD1-CD1 4.12Å; F526-L532 HydrophobicContact CE1-CB 4.32Å; F526-L532 HydrophobicContact CE1-CD1 3.56Å; F526-L532 HydrophobicContact CZ-CD1 3.86Å; G530-L532 VanDerWaalsContact C-N 3.31Å; G530-L532 PolarHBondContact O-N 3.01Å; L532-K622 HydrophobicContact CD2-CB 4.38Å; L532-V623 HydrophobicContact CD2-CB 4.41Å; L532-V623 HydrophobicContact CD2-CG2 3.67Å; L532-V626 HydrophobicContact CD1-CB 3.82Å; L532-V626 HydrophobicContact CD1-CG1 3.7Å; L532-V626 HydrophobicContact CD1-CG2 3.83Å; L532-V626 HydrophobicContact CD2-CG2 4.45Å; L532-V626 HydrophobicContact CG-CG2 4.21Å
533T90.7Very high91.8Very high29 Ų2953.9 Ų53.918%0.17832%0.315CS..  trans-104.5158.3170.458.70000110.6L527 G530 S535 W619L527-T533 WeakPolarHBondContact O-CG2 3.37Å; G530-T533 WeakPolarHBondContact O-CG2 3.34Å; G530-T533 PolarHBondContact O-OG1 3.42Å; T533-S535 PolarHBondContact OG1-OG 2.78Å; T533-W619 PolarHBondContact O-NE1 3.33Å; T533-W619 VanDerWaalsContact O-NE1 3.16Å
534D92.1Very high91.9Very high54 Ų5451.3 Ų51.329%0.28931%0.311SS..SBendtrans-98.65.8178.366.8-25.5000112.9V443 R444 I447 W536 T537V443-D534 HydrophobicContact CG1-CB 3.81Å; R444-D534 HydrophobicContact CG-CB 4.48Å; R444-D534 VanDerWaalsContact CG-OD2 3.25Å; R444-D534 WeakPolarHBondContact CG-OD2 3.27Å; I447-D534 HydrophobicContact CD1-CB 3.85Å; D534-W536 PolarHBondContact O-N 3.22Å; D534-W536 VanDerWaalsContact O-N 3.16Å; D534-T537 HydrophobicContact CB-CG2 4.33Å; D534-T537 VanDerWaalsContact O-CB 3.26Å; D534-T537 WeakPolarHBondContact O-CB 3.35Å; D534-T537 WeakPolarHBondContact O-CG2 3.25Å; D534-T537 PolarHBondContact O-N 3.25Å; D534-T537 PolarHBondContact O-OG1 3.41Å
535S91.3Very high92Very high60 Ų6055.7 Ų55.742%0.4233%0.325SS..THydrogen-bonded Turntrans-55.3-36.1-17760.50000113.3T533 T537 Q538 Q539T533-S535 PolarHBondContact OG1-OG 2.78Å; S535-T537 PolarHBondContact O-N 2.91Å; S535-Q538 PolarHBondContact O-N 3.48Å; S535-Q539 PolarHBondContact O-N 2.76Å
536W94.1Very high92.1Very high30 Ų3057.2 Ų57.211%0.11433%0.333CS..Hα-helixtrans-60.2-29.2176.270.6-91.9000112.6V439 V443 D534 Q538 Q539 V540 F612 K615 W619V439-W536 HydrophobicContact CG1-CH2 4.47Å; V443-W536 HydrophobicContact CG2-CZ2 4.12Å; D534-W536 PolarHBondContact O-N 3.22Å; D534-W536 VanDerWaalsContact O-N 3.16Å; W536-Q538 PolarHBondContact O-N 2.84Å; W536-Q539 PolarHBondContact O-N 3.48Å; W536-V540 PolarHBondContact O-N 3.16Å; W536-F612 HydrophobicContact CE3-CE2 4.42Å; W536-F612 HydrophobicContact CH2-CE2 4.25Å; W536-F612 HydrophobicContact CH2-CZ 4.16Å; W536-F612 AromaticContact CZ3-CD2 3.85Å; W536-F612 HydrophobicContact CZ3-CD2 3.85Å; W536-F612 AromaticContact CZ3-CE2 3.67Å; W536-F612 HydrophobicContact CZ3-CE2 3.67Å; W536-F612 HydrophobicContact CZ3-CG 4.37Å; W536-F612 HydrophobicContact CZ3-CZ 4.03Å; W536-K615 HydrophobicContact CE3-CB 3.76Å; W536-K615 HydrophobicContact CZ3-CB 3.82Å; W536-W619 AromaticContact CD1-CD1 3.84Å; W536-W619 AromaticContact CE2-CG 3.96Å; W536-W619 HydrophobicContact CZ2-CB 4.02Å; W536-W619 HydrophobicContact CZ2-CD2 4.35Å; W536-W619 HydrophobicContact CZ2-CG 4.1Å; W536-W619 AromaticContact NE1-CD1 3.21Å; W536-W619 AromaticContact NE1-CG 3.44Å; W536-W619 AromaticContact NE1-NE1 3.64Å
537T94.3Very high92.3Very high0 Ų063.1 Ų63.10%036%0.355CS..Hα-helixtrans-69.8-21.5-178.373.10000112.8R440 V443 D534 S535R440-T537 PolarHBondContact NE-O 2.83Å; R440-T537 PolarHBondContact NH2-O 3.41Å; V443-T537 HydrophobicContact CG1-CG2 4.12Å; D534-T537 HydrophobicContact CB-CG2 4.33Å; D534-T537 VanDerWaalsContact O-CB 3.26Å; D534-T537 WeakPolarHBondContact O-CB 3.35Å; D534-T537 WeakPolarHBondContact O-CG2 3.25Å; D534-T537 PolarHBondContact O-N 3.25Å; D534-T537 PolarHBondContact O-OG1 3.41Å; S535-T537 PolarHBondContact O-N 2.91Å
538Q92.6Very high92.7Very high103 Ų10359.3 Ų59.348%0.48134%0.335SS..Hα-helixtrans-86.9-26.7174.5-61.6-59.3-28.100112.2S535 W536 H543S535-Q538 PolarHBondContact O-N 3.48Å; W536-Q538 PolarHBondContact O-N 2.84Å; Q538-H543 PolarHBondContact O-NE2 3.14Å
539Q92.5Very high93.2Very high158 Ų15854.1 Ų54.174%0.73830%0.301SS*.Hα-helixtrans-89.2-25.6-175.9-64.3172.92.100113.4S535 W536S535-Q539 PolarHBondContact O-N 2.76Å; W536-Q539 PolarHBondContact O-N 3.48Å
540V94.6Very high94.1Very high25 Ų2554.3 Ų54.315%0.15228%0.279CS..SBendtrans-116.2151.6-174.4-173.30000109.9R440 W536 L611 F612 K615R440-V540 PolarHBondContact NH2-O 3.26Å; W536-V540 PolarHBondContact O-N 3.16Å; V540-L611 HydrophobicContact CG1-CB 4.43Å; V540-L611 HydrophobicContact CG1-CD2 4.06Å; V540-L611 HydrophobicContact CG1-CG 3.83Å; V540-F612 HydrophobicContact CB-CD2 4.37Å; V540-F612 HydrophobicContact CG1-CB 4.09Å; V540-F612 HydrophobicContact CG1-CD2 4.43Å; V540-F612 VanDerWaalsContact O-CD2 3.3Å; V540-F612 WeakPolarHBondContact O-CD2 3.28Å; V540-K615 HydrophobicContact CG1-CG 4.35Å; V540-K615 HydrophobicContact CG2-CG 4.44Å
541G95.4Very high94.7Very high13 Ų1358.7 Ų58.713%0.13429%0.294CS..SBendtrans89.8-160.2177.900000112.3
542T96.8Very high95Very high8 Ų855.2 Ų55.25%0.04927%0.273CS..  trans-114.6153.8175.555.30000110.4Q436 R440 D546 E604 K608Q436-T542 PolarHBondContact NE2-OG1 3.17Å; Q436-T542 PolarHBondContact OE1-OG1 2.87Å; R440-T542 PolarHBondContact NH1-O 3.05Å; R440-T542 PolarHBondContact NH2-O 2.94Å; T542-D546 WeakPolarHBondContact CA-OD2 3.39Å; T542-E604 WeakPolarHBondContact CG2-O 3.38Å; T542-K608 HydrophobicContact CG2-CB 3.99Å; T542-K608 HydrophobicContact CG2-CD 3.97Å
543H96.6Very high95.4Very high32 Ų3258.3 Ų58.315%0.14829%0.286CS..  trans-126.5158.9177.7-58.1-75.3000111.5R440 Q538 E545 D546R440-H543 VanDerWaalsContact CZ-CE1 3.45Å; R440-H543 PolarHBondContact NH2-CE1 3.49Å; R440-H543 PolarHBondContact NH2-ND1 2.64Å; Q538-H543 PolarHBondContact O-NE2 3.14Å; H543-E545 WeakPolarHBondContact CB-OE2 3.33Å; H543-E545 PolarHBondContact O-N 3.35Å; H543-D546 PolarHBondContact N-OD2 2.97Å; H543-D546 WeakPolarHBondContact O-CB 3.4Å; H543-D546 PolarHBondContact O-N 3.3Å
544P95.9Very high95.8Very high62 Ų6261.7 Ų61.740%0.40331%0.307SS..G310 helixtrans-53.6-33.4175.6-26.936.4000113.5D546 R547P544-D546 PolarHBondContact O-N 3.28Å; P544-R547 PolarHBondContact O-N 3.04Å; P544-R547 VanDerWaalsContact O-N 3.16Å
545E96.4Very high96.1Very high152 Ų15260.6 Ų60.671%0.7130%0.301SS*.G310 helixtrans-66.6-22179.2-60.183.8174.200113.4H543 R547H543-E545 WeakPolarHBondContact CB-OE2 3.33Å; H543-E545 PolarHBondContact O-N 3.35Å; E545-R547 PolarHBondContact O-N 3.37Å
546D96.1Very high96.4Very high53 Ų5357.8 Ų57.828%0.28328%0.281SS..G310 helixtrans-68-23.9176-65.6-38000111.9T542 H543 P544 N548 K551T542-D546 WeakPolarHBondContact CA-OD2 3.39Å; H543-D546 PolarHBondContact N-OD2 2.97Å; H543-D546 WeakPolarHBondContact O-CB 3.4Å; H543-D546 PolarHBondContact O-N 3.3Å; P544-D546 PolarHBondContact O-N 3.28Å; D546-N548 PolarHBondContact O-N 2.92Å; D546-N548 PolarHBondContact O-OD1 2.91Å; D546-K551 WeakPolarHBondContact O-CE 3.16Å; D546-K551 PolarHBondContact O-NZ 3.17Å
547R97.3Very high96.5Very high155 Ų15560 Ų6059%0.58530%0.296SS*.  trans53.732.1179.3-57.7-177.168.8-169.31.2114.5P544 E545 E550 K551P544-R547 PolarHBondContact O-N 3.04Å; P544-R547 VanDerWaalsContact O-N 3.16Å; E545-R547 PolarHBondContact O-N 3.37Å; R547-E550 WeakPolarHBondContact CA-OE2 3.35Å; R547-E550 HydrophobicContact CB-CB 4.47Å; R547-E550 PolarHBondContact O-N 3.43Å; R547-K551 WeakPolarHBondContact O-CD 3.21Å; R547-K551 VanDerWaalsContact O-CG 3.23Å; R547-K551 WeakPolarHBondContact O-CG 3.2Å; R547-K551 PolarHBondContact O-N 3.26Å
548N97.4Very high96.7Very high12 Ų1261.7 Ų61.76%0.06431%0.309CS..Hα-helixtrans-66.7-38-177.2-71-24.5000111.9D546 E550 K551 I552D546-N548 PolarHBondContact O-N 2.92Å; D546-N548 PolarHBondContact O-OD1 2.91Å; N548-E550 PolarHBondContact O-N 3.43Å; N548-K551 PolarHBondContact O-N 3Å; N548-K551 PolarHBondContact OD1-NZ 3.18Å; N548-I552 WeakPolarHBondContact O-CG1 3.16Å; N548-I552 PolarHBondContact O-N 3.14Å
549V97.4Very high97Very high18 Ų1856.8 Ų56.811%0.10929%0.286CS..Hα-helixtrans-62-44.9177.5-179.30000110.4E430 L433 I552 K553E430-V549 HydrophobicContact CB-CG1 4.25Å; L433-V549 HydrophobicContact CD2-CG2 4.22Å; V549-I552 PolarHBondContact O-N 3.43Å; V549-K553 WeakPolarHBondContact O-CB 3.5Å; V549-K553 PolarHBondContact O-N 2.92Å
550E98.1Very high97.2Very high88 Ų8850.7 Ų50.741%0.41126%0.26SS..Hα-helixtrans-67.4-40178.3-64.180.7173.400111.9R547 N548 I552 K553 V554R547-E550 WeakPolarHBondContact CA-OE2 3.35Å; R547-E550 HydrophobicContact CB-CB 4.47Å; R547-E550 PolarHBondContact O-N 3.43Å; N548-E550 PolarHBondContact O-N 3.43Å; E550-I552 VanDerWaalsContact C-N 3.35Å; E550-I552 PolarHBondContact O-N 3.39Å; E550-K553 WeakPolarHBondContact O-CB 3.32Å; E550-K553 PolarHBondContact O-N 3.33Å; E550-V554 WeakPolarHBondContact O-CG2 3.39Å; E550-V554 PolarHBondContact O-N 2.9Å
551K98.3Very high97.3Very high106 Ų10652.5 Ų52.546%0.46128%0.277SS..Hα-helixtrans-61.1-43174.8-73.4165.1-174.3160.90111.5D546 R547 N548 K553 L555 L600D546-K551 WeakPolarHBondContact O-CE 3.16Å; D546-K551 PolarHBondContact O-NZ 3.17Å; R547-K551 WeakPolarHBondContact O-CD 3.21Å; R547-K551 VanDerWaalsContact O-CG 3.23Å; R547-K551 WeakPolarHBondContact O-CG 3.2Å; R547-K551 PolarHBondContact O-N 3.26Å; N548-K551 PolarHBondContact O-N 3Å; N548-K551 PolarHBondContact OD1-NZ 3.18Å; K551-K553 VanDerWaalsContact C-N 3.34Å; K551-L555 PolarHBondContact O-N 3.44Å; K551-L600 HydrophobicContact CB-CD2 3.51Å; K551-L600 HydrophobicContact CD-CD2 4.38Å
552I97.9Very high97.4Very high0 Ų052.5 Ų52.50%027%0.274CS..Hα-helixtrans-64.7-41174.1-63.8171.9000110V422 W426 N548 V549 E550 V554 L555 L556 L600 F601V422-I552 HydrophobicContact CG1-CG2 4.27Å; W426-I552 HydrophobicContact CB-CG2 3.8Å; W426-I552 HydrophobicContact CG-CG2 4.49Å; N548-I552 WeakPolarHBondContact O-CG1 3.16Å; N548-I552 PolarHBondContact O-N 3.14Å; V549-I552 PolarHBondContact O-N 3.43Å; E550-I552 VanDerWaalsContact C-N 3.35Å; E550-I552 PolarHBondContact O-N 3.39Å; I552-V554 PolarHBondContact O-N 2.94Å; I552-L555 WeakPolarHBondContact O-CB 2.85Å; I552-L555 PolarHBondContact O-N 2.77Å; I552-L555 VanDerWaalsContact O-N 3.16Å; I552-L556 PolarHBondContact O-N 3.22Å; I552-L600 HydrophobicContact CD1-CD2 4.49Å; I552-L600 HydrophobicContact CD1-CG 4.43Å; I552-L600 HydrophobicContact CG1-CB 4.4Å; I552-L600 HydrophobicContact CG1-CD2 3.57Å; I552-L600 HydrophobicContact CG1-CG 3.98Å; I552-F601 HydrophobicContact CD1-CB 4.11Å
553K97.9Very high97.4Very high66 Ų6652.7 Ų52.729%0.28727%0.274SS..Hα-helixtrans-59.6-43.7178.1-177.251.7173145.40112.7W426 V549 E550 K551 L555 L556 D557W426-K553 HydrophobicContact CD2-CD 4.26Å; W426-K553 HydrophobicContact CZ2-CD 4.08Å; V549-K553 WeakPolarHBondContact O-CB 3.5Å; V549-K553 PolarHBondContact O-N 2.92Å; E550-K553 WeakPolarHBondContact O-CB 3.32Å; E550-K553 PolarHBondContact O-N 3.33Å; K551-K553 VanDerWaalsContact C-N 3.34Å; K553-L555 VanDerWaalsContact C-N 3.29Å; K553-L555 PolarHBondContact O-N 2.95Å; K553-L556 HydrophobicContact CD-CD2 4.23Å; K553-L556 WeakPolarHBondContact O-CB 3.44Å; K553-L556 PolarHBondContact O-N 3.47Å; K553-L556 VanDerWaalsContact O-N 3.15Å; K553-D557 WeakPolarHBondContact CE-OD1 3.35Å; K553-D557 IonicContact NZ-OD1 3.17Å; K553-D557 PolarHBondContact NZ-OD1 3.4Å; K553-D557 IonicContact NZ-OD2 2.73Å; K553-D557 VanDerWaalsContact O-CG 3.27Å; K553-D557 PolarHBondContact O-N 2.87Å
554V98.3Very high97.3Very high101 Ų10155.3 Ų55.361%0.61229%0.286SS*.Hα-helixtrans-59.5-40.6175.61710000111.6E550 I552 D557 A558E550-V554 WeakPolarHBondContact O-CG2 3.39Å; E550-V554 PolarHBondContact O-N 2.9Å; I552-V554 PolarHBondContact O-N 2.94Å; V554-D557 PolarHBondContact O-N 2.95Å; V554-A558 PolarHBondContact O-N 3.29Å
555L98.3Very high97.4Very high31 Ų3156 Ų5616%0.16228%0.284CS..Hα-helixtrans-67.7-41.1175.6-67.6169.7000111.8K551 I552 K553 D557 A558 I559 H593 K596 A597K551-L555 PolarHBondContact O-N 3.44Å; I552-L555 WeakPolarHBondContact O-CB 2.85Å; I552-L555 PolarHBondContact O-N 2.77Å; I552-L555 VanDerWaalsContact O-N 3.16Å; K553-L555 VanDerWaalsContact C-N 3.29Å; K553-L555 PolarHBondContact O-N 2.95Å; L555-D557 VanDerWaalsContact C-N 3.31Å; L555-D557 PolarHBondContact O-N 3.1Å; L555-A558 PolarHBondContact O-N 2.99Å; L555-I559 WeakPolarHBondContact O-CD1 3.48Å; L555-I559 VanDerWaalsContact O-CG1 3.26Å; L555-I559 WeakPolarHBondContact O-CG1 3.39Å; L555-I559 PolarHBondContact O-N 2.93Å; L555-H593 HydrophobicContact CD2-CB 4.34Å; L555-K596 HydrophobicContact CD1-CB 4.06Å; L555-A597 HydrophobicContact CB-CB 4.04Å; L555-A597 HydrophobicContact CD1-CB 3.79Å
556L97.4Very high97.4Very high1 Ų148.7 Ų48.71%0.00525%0.25CS..Hα-helixtrans-60-41174.6176.959.9000111.9T102 A419 V422 W426 I552 K553 I559 T560T102-L556 HydrophobicContact CG2-CD2 4.5Å; A419-L556 WeakPolarHBondContact O-CD1 3.46Å; V422-L556 HydrophobicContact CB-CD1 4.19Å; V422-L556 HydrophobicContact CG1-CB 4.02Å; V422-L556 HydrophobicContact CG1-CD1 4.11Å; W426-L556 HydrophobicContact CB-CD2 4.23Å; W426-L556 HydrophobicContact CD2-CD2 4.19Å; W426-L556 HydrophobicContact CE3-CD2 3.96Å; W426-L556 HydrophobicContact CG-CD2 4.31Å; I552-L556 PolarHBondContact O-N 3.22Å; K553-L556 HydrophobicContact CD-CD2 4.23Å; K553-L556 WeakPolarHBondContact O-CB 3.44Å; K553-L556 PolarHBondContact O-N 3.47Å; K553-L556 VanDerWaalsContact O-N 3.15Å; L556-I559 PolarHBondContact O-N 3.04Å; L556-T560 VanDerWaalsContact O-CB 3.3Å; L556-T560 WeakPolarHBondContact O-CB 3.33Å; L556-T560 PolarHBondContact O-N 2.79Å; L556-T560 PolarHBondContact O-OG1 3.06Å
557D97.8Very high97.3Very high77 Ų7751.2 Ų51.241%0.41226%0.258SS..Hα-helixtrans-65-41.9178.7-68.9-24.8000111.2K553 V554 L555 T560 A561K553-D557 WeakPolarHBondContact CE-OD1 3.35Å; K553-D557 IonicContact NZ-OD1 3.17Å; K553-D557 PolarHBondContact NZ-OD1 3.4Å; K553-D557 IonicContact NZ-OD2 2.73Å; K553-D557 VanDerWaalsContact O-CG 3.27Å; K553-D557 PolarHBondContact O-N 2.87Å; V554-D557 PolarHBondContact O-N 2.95Å; L555-D557 VanDerWaalsContact C-N 3.31Å; L555-D557 PolarHBondContact O-N 3.1Å; D557-T560 PolarHBondContact O-N 3.49Å; D557-A561 WeakPolarHBondContact O-CB 3.43Å; D557-A561 PolarHBondContact O-N 3.21Å
558A98.1Very high97.1Very high34 Ų3449.8 Ų49.828%0.28126%0.256SS..Hα-helixtrans-62.7-44.3173.800000112.3V554 L555 T560 A561 I562V554-A558 PolarHBondContact O-N 3.29Å; L555-A558 PolarHBondContact O-N 2.99Å; A558-T560 VanDerWaalsContact C-N 3.34Å; A558-A561 PolarHBondContact O-N 3.17Å; A558-I562 WeakPolarHBondContact O-CG1 3.46Å; A558-I562 PolarHBondContact O-N 3.1Å; A558-I562 VanDerWaalsContact O-N 3.14Å
559I97.8Very high97Very high0 Ų049.5 Ų49.50%026%0.255CS..Hα-helixtrans-62.6-42.7176.3-70.8165.9000110.9F418 A419 V422 L555 L556 A561 I562 Y563 L590 H593 A594F418-I559 HydrophobicContact CB-CG2 4.39Å; A419-I559 HydrophobicContact CB-CG2 3.78Å; V422-I559 HydrophobicContact CB-CD1 4.19Å; V422-I559 HydrophobicContact CG1-CD1 4.15Å; V422-I559 HydrophobicContact CG2-CD1 3.82Å; L555-I559 WeakPolarHBondContact O-CD1 3.48Å; L555-I559 VanDerWaalsContact O-CG1 3.26Å; L555-I559 WeakPolarHBondContact O-CG1 3.39Å; L555-I559 PolarHBondContact O-N 2.93Å; L556-I559 PolarHBondContact O-N 3.04Å; I559-A561 VanDerWaalsContact C-N 3.35Å; I559-I562 PolarHBondContact O-N 3.29Å; I559-Y563 PolarHBondContact O-N 3.05Å; I559-L590 HydrophobicContact CB-CD1 4.33Å; I559-L590 HydrophobicContact CG1-CD1 4.28Å; I559-L590 HydrophobicContact CG2-CD1 3.68Å; I559-H593 HydrophobicContact CD1-CB 4.02Å; I559-H593 HydrophobicContact CG1-CB 3.73Å; I559-A594 HydrophobicContact CD1-CB 4.12Å
560T96.7Very high96.9Very high30 Ų3052.6 Ų52.618%0.18427%0.267CS..Hα-helixtrans-66.3-38.8179.7-58.50000110.9L556 D557 A558 I562 Y563 Q564L556-T560 VanDerWaalsContact O-CB 3.3Å; L556-T560 WeakPolarHBondContact O-CB 3.33Å; L556-T560 PolarHBondContact O-N 2.79Å; L556-T560 PolarHBondContact O-OG1 3.06Å; D557-T560 PolarHBondContact O-N 3.49Å; A558-T560 VanDerWaalsContact C-N 3.34Å; T560-I562 PolarHBondContact O-N 3.32Å; T560-Y563 PolarHBondContact O-N 3.25Å; T560-Q564 WeakPolarHBondContact O-CG 3.38Å; T560-Q564 PolarHBondContact O-N 3.24Å
561A97.3Very high96.5Very high63 Ų6352.1 Ų52.152%0.52128%0.278SS..Hα-helixtrans-60.4-44.4173.800000112D557 A558 I559 Q564 Q565D557-A561 WeakPolarHBondContact O-CB 3.43Å; D557-A561 PolarHBondContact O-N 3.21Å; A558-A561 PolarHBondContact O-N 3.17Å; I559-A561 VanDerWaalsContact C-N 3.35Å; A561-Q564 PolarHBondContact O-N 3.08Å; A561-Q565 PolarHBondContact O-N 3.21Å
562I97.6Very high96.2Very high13 Ų1352.2 Ų52.27%0.06728%0.28CS..Hα-helixtrans-61.8-45.1174.8-64.5165.3000110.6A558 I559 T560 Q564 Q565 F566 D586 K589 L590A558-I562 WeakPolarHBondContact O-CG1 3.46Å; A558-I562 PolarHBondContact O-N 3.1Å; A558-I562 VanDerWaalsContact O-N 3.14Å; I559-I562 PolarHBondContact O-N 3.29Å; T560-I562 PolarHBondContact O-N 3.32Å; I562-Q564 PolarHBondContact O-N 2.89Å; I562-Q565 PolarHBondContact O-N 2.78Å; I562-F566 HydrophobicContact CG2-CD1 4.12Å; I562-F566 HydrophobicContact CG2-CD2 4.29Å; I562-F566 HydrophobicContact CG2-CE1 3.81Å; I562-F566 HydrophobicContact CG2-CE2 4.01Å; I562-F566 HydrophobicContact CG2-CG 4.35Å; I562-F566 HydrophobicContact CG2-CZ 3.77Å; I562-F566 PolarHBondContact O-N 3.32Å; I562-D586 HydrophobicContact CG1-CB 4.33Å; I562-D586 HydrophobicContact CG2-CB 4.17Å; I562-K589 HydrophobicContact CD1-CB 4.12Å; I562-L590 HydrophobicContact CD1-CB 4.25Å; I562-L590 HydrophobicContact CG2-CB 4.3Å
563Y96.6Very high95.8Very high12 Ų1261.2 Ų61.25%0.04731%0.314CS..Hα-helixtrans-58.2-45.2176.7167.3-123000112.4A415 K416 I559 T560 Q565 F566 K567A415-Y563 HydrophobicContact CB-CD2 4.03Å; A415-Y563 HydrophobicContact CB-CG 4.46Å; K416-Y563 HydrophobicContact CB-CD2 4Å; K416-Y563 HydrophobicContact CB-CE2 3.55Å; K416-Y563 HydrophobicContact CG-CE2 4.04Å; I559-Y563 PolarHBondContact O-N 3.05Å; T560-Y563 PolarHBondContact O-N 3.25Å; Y563-Q565 VanDerWaalsContact C-N 3.3Å; Y563-Q565 PolarHBondContact O-N 2.74Å; Y563-F566 PolarHBondContact O-N 3.35Å; Y563-K567 WeakPolarHBondContact O-CB 3.43Å; Y563-K567 PolarHBondContact O-N 2.95Å
564Q95.4Very high95.6Very high87 Ų8768.3 Ų68.341%0.40734%0.339SS..Hα-helixtrans-63.9-36.5177.6-66.5-59.1-21.200112T560 A561 I562 K568T560-Q564 WeakPolarHBondContact O-CG 3.38Å; T560-Q564 PolarHBondContact O-N 3.24Å; A561-Q564 PolarHBondContact O-N 3.08Å; I562-Q564 PolarHBondContact O-N 2.89Å; Q564-K568 PolarHBondContact O-N 3.2Å
565Q96.8Very high95.4Very high76 Ų7663.9 Ų63.936%0.35531%0.312SS..Hα-helixtrans-66.1-47.4174-17156.644.600111.2A561 I562 Y563 K567 K568 D569A561-Q565 PolarHBondContact O-N 3.21Å; I562-Q565 PolarHBondContact O-N 2.78Å; Y563-Q565 VanDerWaalsContact C-N 3.3Å; Y563-Q565 PolarHBondContact O-N 2.74Å; Q565-K567 PolarHBondContact O-N 3.24Å; Q565-K568 WeakPolarHBondContact O-CA 3.41Å; Q565-K568 WeakPolarHBondContact O-CB 3.47Å; Q565-K568 PolarHBondContact O-N 2.87Å; Q565-D569 PolarHBondContact NE2-OD1 3.43Å; Q565-D569 VanDerWaalsContact O-CG 3.25Å; Q565-D569 PolarHBondContact O-N 3.28Å
566F96.6Very high95.3Very high0 Ų066 Ų660%033%0.328CS..Hα-helixtrans-62.1-31.5178.6-74.59000112.8D411 A412 A415 I562 Y563 K568 D569 K570 H583 D586 K587 L590D411-F566 HydrophobicContact CB-CD2 4.08Å; D411-F566 HydrophobicContact CB-CE2 4.03Å; D411-F566 WeakPolarHBondContact O-CD2 3.35Å; A412-F566 HydrophobicContact CB-CB 4.13Å; A415-F566 HydrophobicContact CB-CD2 3.74Å; A415-F566 HydrophobicContact CB-CE2 4.38Å; I562-F566 HydrophobicContact CG2-CD1 4.12Å; I562-F566 HydrophobicContact CG2-CD2 4.29Å; I562-F566 HydrophobicContact CG2-CE1 3.81Å; I562-F566 HydrophobicContact CG2-CE2 4.01Å; I562-F566 HydrophobicContact CG2-CG 4.35Å; I562-F566 HydrophobicContact CG2-CZ 3.77Å; I562-F566 PolarHBondContact O-N 3.32Å; Y563-F566 PolarHBondContact O-N 3.35Å; F566-K568 VanDerWaalsContact C-N 3.33Å; F566-D569 PolarHBondContact O-N 3.49Å; F566-K570 VanDerWaalsContact O-CB 3.28Å; F566-K570 WeakPolarHBondContact O-CB 3.44Å; F566-K570 PolarHBondContact O-N 2.86Å; F566-H583 AromaticContact CD1-CE1 3.26Å; F566-H583 WeakPolarHBondContact CD1-CE1 3.48Å; F566-H583 AromaticContact CD1-ND1 3.38Å; F566-H583 WeakPolarHBondContact CD1-ND1 3.42Å; F566-H583 AromaticContact CD2-CE1 3.96Å; F566-H583 AromaticContact CE1-CE1 3.38Å; F566-H583 WeakPolarHBondContact CE1-CE1 3.21Å; F566-H583 AromaticContact CE1-CG 3.76Å; F566-H583 AromaticContact CE1-ND1 3.35Å; F566-H583 WeakPolarHBondContact CE1-ND1 3.47Å; F566-H583 AromaticContact CE1-NE2 3.8Å; F566-H583 AromaticContact CE2-NE2 3.99Å; F566-H583 AromaticContact CG-CE1 3.57Å; F566-H583 AromaticContact CZ-CE1 3.77Å; F566-H583 AromaticContact CZ-NE2 3.74Å; F566-D586 HydrophobicContact CE1-CB 4.11Å; F566-D586 HydrophobicContact CZ-CB 4.35Å; F566-K587 HydrophobicContact CE2-CB 4.28Å; F566-K587 HydrophobicContact CZ-CB 3.92Å; F566-L590 HydrophobicContact CE2-CD2 4.33Å
567K93.6Very high95.1Very high105 Ų10573.8 Ų73.846%0.45736%0.358SS..Hα-helixtrans-63.7-37.4172-172.4177.4178.51770112.1Y563 Q565 A571Y563-K567 WeakPolarHBondContact O-CB 3.43Å; Y563-K567 PolarHBondContact O-N 2.95Å; Q565-K567 PolarHBondContact O-N 3.24Å; K567-A571 PolarHBondContact O-N 3.46Å
568K94.6Very high95.1Very high125 Ų12575.7 Ų75.754%0.54337%0.368SS..Hα-helixtrans-69.6-49.2173.7-65.9174.4-176.2175.10110.9Q564 Q565 F566 K570 A571 E572Q564-K568 PolarHBondContact O-N 3.2Å; Q565-K568 WeakPolarHBondContact O-CA 3.41Å; Q565-K568 WeakPolarHBondContact O-CB 3.47Å; Q565-K568 PolarHBondContact O-N 2.87Å; F566-K568 VanDerWaalsContact C-N 3.33Å; K568-K570 VanDerWaalsContact C-N 3.27Å; K568-K570 PolarHBondContact O-N 3.34Å; K568-A571 WeakPolarHBondContact O-CA 3.43Å; K568-A571 VanDerWaalsContact O-CB 3.32Å; K568-A571 WeakPolarHBondContact O-CB 3.32Å; K568-A571 PolarHBondContact O-N 3.21Å; K568-E572 PolarHBondContact O-N 3.48Å; K568-E572 VanDerWaalsContact O-N 3.14Å
569D95.6Very high95Very high7 Ų778.4 Ų78.44%0.03738%0.375CS..Hα-helixtrans-56.9-42.6-179.6-57.6-11.1000111.4L408 Q565 F566 A571 E572 R573 L575 H583L408-D569 HydrophobicContact CD2-CB 3.9Å; Q565-D569 PolarHBondContact NE2-OD1 3.43Å; Q565-D569 VanDerWaalsContact O-CG 3.25Å; Q565-D569 PolarHBondContact O-N 3.28Å; F566-D569 PolarHBondContact O-N 3.49Å; D569-A571 VanDerWaalsContact C-N 3.3Å; D569-A571 PolarHBondContact O-N 3.39Å; D569-E572 PolarHBondContact O-N 2.62Å; D569-E572 VanDerWaalsContact O-N 3.16Å; D569-R573 PolarHBondContact O-N 3.46Å; D569-L575 HydrophobicContact CB-CD1 4.04Å; D569-L575 HydrophobicContact CB-CD2 3.99Å; D569-L575 HydrophobicContact CB-CG 4.38Å; D569-H583 IonicContact OD2-CE1 3.47Å; D569-H583 IonicContact OD2-CG 2.69Å; D569-H583 IonicContact OD2-ND1 3.19Å; D569-H583 PolarHBondContact OD2-ND1 2.78Å
570K93.7Very high94.9Very high83 Ų8380.7 Ų80.736%0.36139%0.386SS..Hα-helixtrans-57.8-39173171.6176.2166.7131.30113D409 A412 F566 K568 E572 R573D409-K570 WeakPolarHBondContact OD1-CD 3.36Å; D409-K570 WeakPolarHBondContact OD1-CE 3.02Å; D409-K570 IonicContact OD1-NZ 3.55Å; D409-K570 PolarHBondContact OD1-NZ 2.8Å; A412-K570 HydrophobicContact CB-CB 4.3Å; A412-K570 HydrophobicContact CB-CD 3.94Å; F566-K570 VanDerWaalsContact O-CB 3.28Å; F566-K570 WeakPolarHBondContact O-CB 3.44Å; F566-K570 PolarHBondContact O-N 2.86Å; K568-K570 VanDerWaalsContact C-N 3.27Å; K568-K570 PolarHBondContact O-N 3.34Å; K570-E572 VanDerWaalsContact C-N 3.31Å; K570-R573 PolarHBondContact O-N 2.86Å
571A91Very high94.9Very high78 Ų7882.9 Ų82.965%0.64539%0.394SS*.Hα-helixtrans-69.2-31.1178.700000112.1K567 K568 D569 R573K567-A571 PolarHBondContact O-N 3.46Å; K568-A571 WeakPolarHBondContact O-CA 3.43Å; K568-A571 VanDerWaalsContact O-CB 3.32Å; K568-A571 WeakPolarHBondContact O-CB 3.32Å; K568-A571 PolarHBondContact O-N 3.21Å; D569-A571 VanDerWaalsContact C-N 3.3Å; D569-A571 PolarHBondContact O-N 3.39Å; A571-R573 VanDerWaalsContact C-N 3.29Å; A571-R573 PolarHBondContact O-N 2.82Å
572E91.8Very high94.9Very high108 Ų10884.6 Ų84.651%0.50539%0.394SS..Hα-helixtrans-74.6-16.1177.5-66.7-178.6-173.500113.6K568 D569 K570 R574 L575K568-E572 PolarHBondContact O-N 3.48Å; K568-E572 VanDerWaalsContact O-N 3.14Å; D569-E572 PolarHBondContact O-N 2.62Å; D569-E572 VanDerWaalsContact O-N 3.16Å; K570-E572 VanDerWaalsContact C-N 3.31Å; E572-R574 PolarHBondContact O-N 3.44Å; E572-L575 WeakPolarHBondContact OE2-CD2 3.25Å
573R89.6Confident94.9Very high188 Ų18884.1 Ų84.171%0.70939%0.391SS*.SBendtrans64.4-27179.6-56.1-65.7-171.31670.6115.6D569 K570 A571D569-R573 PolarHBondContact O-N 3.46Å; K570-R573 PolarHBondContact O-N 2.86Å; A571-R573 VanDerWaalsContact C-N 3.29Å; A571-R573 PolarHBondContact O-N 2.82Å
574R92.4Very high94.8Very high215 Ų21586.9 Ų86.981%0.81140%0.403SS*.SBendtrans-152.1131.1178.6-174.2178.6-177.1-175.41.5110.8E572E572-R574 PolarHBondContact O-N 3.44Å
575L94.7Very high94.9Very high9 Ų988.2 Ų88.25%0.04741%0.408CS..  trans-98.7147.2177.5-61.2179.5000111.9L408 D569 E572 E579 E580 H583L408-L575 HydrophobicContact CD2-CD1 3.96Å; L408-L575 HydrophobicContact CD2-CG 4.36Å; D569-L575 HydrophobicContact CB-CD1 4.04Å; D569-L575 HydrophobicContact CB-CD2 3.99Å; D569-L575 HydrophobicContact CB-CG 4.38Å; E572-L575 WeakPolarHBondContact OE2-CD2 3.25Å; L575-E579 HydrophobicContact CB-CB 4.11Å; L575-E579 HydrophobicContact CD1-CB 4.46Å; L575-E579 HydrophobicContact CD2-CB 4.45Å; L575-E580 HydrophobicContact CB-CB 4.33Å; L575-H583 HydrophobicContact CD1-CB 3.88Å
576P95.5Very high94.9Very high75 Ų7585.9 Ų85.949%0.48740%0.398SS..  trans-59.1159.1161.1-20.331.9000112.5N578 E579 E580P576-N578 PolarHBondContact O-N 3.22Å; P576-E579 WeakPolarHBondContact CD-OE2 3.42Å; P576-E579 PolarHBondContact O-N 3.4Å; P576-E579 VanDerWaalsContact O-N 3.14Å; P576-E580 PolarHBondContact O-N 3Å
577Y94.9Very high94.9Very high164 Ų16486.7 Ų86.764%0.64340%0.401SS*.Hα-helixtrans-52.8-46.6-174.4176.7-99.7000114.2E580 Q581Y577-E580 PolarHBondContact O-N 2.77Å; Y577-Q581 HydrophobicContact CE1-CG 4.15Å; Y577-Q581 HydrophobicContact CE2-CG 4.44Å; Y577-Q581 WeakPolarHBondContact O-CG 3.29Å; Y577-Q581 PolarHBondContact O-N 3.17Å; Y577-Q581 VanDerWaalsContact O-N 3.09Å
578N96Very high95Very high117 Ų11787.6 Ų87.663%0.62641%0.407SS*.Hα-helixtrans-66.8-41.7-178.6-69.4-20.3000111.9P576 E580 Q581 I582P576-N578 PolarHBondContact O-N 3.22Å; N578-E580 VanDerWaalsContact C-N 3.35Å; N578-Q581 PolarHBondContact O-N 2.81Å; N578-I582 WeakPolarHBondContact O-CG1 3.22Å; N578-I582 PolarHBondContact O-N 3.35Å
579E96.3Very high95.1Very high91 Ų9184.9 Ų84.943%0.42540%0.395SS..Hα-helixtrans-67.9-36.6177.6-67.7-179.9-172.900111.3L575 P576 Q581 I582 H583L575-E579 HydrophobicContact CB-CB 4.11Å; L575-E579 HydrophobicContact CD1-CB 4.46Å; L575-E579 HydrophobicContact CD2-CB 4.45Å; P576-E579 WeakPolarHBondContact CD-OE2 3.42Å; P576-E579 PolarHBondContact O-N 3.4Å; P576-E579 VanDerWaalsContact O-N 3.14Å; E579-Q581 VanDerWaalsContact C-N 3.33Å; E579-Q581 PolarHBondContact O-N 2.72Å; E579-I582 PolarHBondContact O-N 2.92Å; E579-H583 WeakPolarHBondContact O-CB 3.23Å; E579-H583 PolarHBondContact O-N 3.34Å
580E96.3Very high95.2Very high49 Ų4984.7 Ų84.723%0.22939%0.394CS..Hα-helixtrans-60.7-40.9171.8-174.2-173.813600111.9Y406 L575 P576 Y577 N578 H583 K584Y406-E580 HydrophobicContact CD1-CG 4.44Å; Y406-E580 HydrophobicContact CD2-CG 4.38Å; Y406-E580 HydrophobicContact CE1-CG 3.98Å; Y406-E580 HydrophobicContact CE2-CG 3.91Å; L575-E580 HydrophobicContact CB-CB 4.33Å; P576-E580 PolarHBondContact O-N 3Å; Y577-E580 PolarHBondContact O-N 2.77Å; N578-E580 VanDerWaalsContact C-N 3.35Å; E580-H583 PolarHBondContact O-N 2.88Å; E580-K584 HydrophobicContact CG-CD 4.38Å; E580-K584 VanDerWaalsContact O-CG 3.32Å; E580-K584 WeakPolarHBondContact O-CG 3.47Å; E580-K584 PolarHBondContact O-N 3.02Å; E580-K584 WeakPolarHBondContact OE1-CE 3.4Å; E580-K584 IonicContact OE1-NZ 2.85Å; E580-K584 PolarHBondContact OE1-NZ 2.98Å
581Q96.9Very high95.3Very high76 Ų7683.8 Ų83.836%0.35540%0.395SS..Hα-helixtrans-66.7-40.7175.6-62.2-39.9-65.500111.9Y577 N578 E579 K584 F585Y577-Q581 HydrophobicContact CE1-CG 4.15Å; Y577-Q581 HydrophobicContact CE2-CG 4.44Å; Y577-Q581 WeakPolarHBondContact O-CG 3.29Å; Y577-Q581 PolarHBondContact O-N 3.17Å; Y577-Q581 VanDerWaalsContact O-N 3.09Å; N578-Q581 PolarHBondContact O-N 2.81Å; E579-Q581 VanDerWaalsContact C-N 3.33Å; E579-Q581 PolarHBondContact O-N 2.72Å; Q581-K584 PolarHBondContact O-N 2.79Å; Q581-F585 PolarHBondContact O-N 2.95Å
582I96.6Very high95.6Very high99 Ų9984.4 Ų84.451%0.50839%0.387SS..Hα-helixtrans-61.8-47175.7-67.3165.6000110N578 E579 K584 F585 D586N578-I582 WeakPolarHBondContact O-CG1 3.22Å; N578-I582 PolarHBondContact O-N 3.35Å; E579-I582 PolarHBondContact O-N 2.92Å; I582-K584 VanDerWaalsContact C-N 3.34Å; I582-K584 PolarHBondContact O-N 2.74Å; I582-F585 WeakPolarHBondContact O-CB 3.25Å; I582-F585 PolarHBondContact O-N 3.46Å; I582-F585 VanDerWaalsContact O-N 3.09Å; I582-D586 PolarHBondContact O-N 3.46Å
583H97.1Very high95.8Very high2 Ų281.4 Ų81.41%0.00937%0.373CS..Hα-helixtrans-56.5-46.7176.9-175.5101.4000111.8Y406 D411 F566 D569 L575 E579 E580 F585 D586 K587Y406-H583 AromaticContact CD2-CD2 3.89Å; Y406-H583 HydrophobicContact CE2-CB 4.45Å; Y406-H583 AromaticContact CE2-CD2 3.56Å; D411-H583 IonicContact OD2-NE2 2.91Å; F566-H583 AromaticContact CD1-CE1 3.26Å; F566-H583 WeakPolarHBondContact CD1-CE1 3.48Å; F566-H583 AromaticContact CD1-ND1 3.38Å; F566-H583 WeakPolarHBondContact CD1-ND1 3.42Å; F566-H583 AromaticContact CD2-CE1 3.96Å; F566-H583 AromaticContact CE1-CE1 3.38Å; F566-H583 WeakPolarHBondContact CE1-CE1 3.21Å; F566-H583 AromaticContact CE1-CG 3.76Å; F566-H583 AromaticContact CE1-ND1 3.35Å; F566-H583 WeakPolarHBondContact CE1-ND1 3.47Å; F566-H583 AromaticContact CE1-NE2 3.8Å; F566-H583 AromaticContact CE2-NE2 3.99Å; F566-H583 AromaticContact CG-CE1 3.57Å; F566-H583 AromaticContact CZ-CE1 3.77Å; F566-H583 AromaticContact CZ-NE2 3.74Å; D569-H583 IonicContact OD2-CE1 3.47Å; D569-H583 IonicContact OD2-CG 2.69Å; D569-H583 IonicContact OD2-ND1 3.19Å; D569-H583 PolarHBondContact OD2-ND1 2.78Å; L575-H583 HydrophobicContact CD1-CB 3.88Å; E579-H583 WeakPolarHBondContact O-CB 3.23Å; E579-H583 PolarHBondContact O-N 3.34Å; E580-H583 PolarHBondContact O-N 2.88Å; H583-F585 VanDerWaalsContact C-N 3.31Å; H583-F585 PolarHBondContact O-N 3.32Å; H583-D586 PolarHBondContact O-N 2.87Å; H583-K587 WeakPolarHBondContact O-CB 3.5Å; H583-K587 PolarHBondContact O-N 3.19Å
584K96.1Very high96.2Very high71 Ų7172.6 Ų72.631%0.30934%0.34SS..Hα-helixtrans-61.1-38.7176.2-75.7168.6172.9171.30112.5Y406 E580 Q581 I582 K587 Q588Y406-K584 HydrophobicContact CD2-CG 4.11Å; E580-K584 HydrophobicContact CG-CD 4.38Å; E580-K584 VanDerWaalsContact O-CG 3.32Å; E580-K584 WeakPolarHBondContact O-CG 3.47Å; E580-K584 PolarHBondContact O-N 3.02Å; E580-K584 WeakPolarHBondContact OE1-CE 3.4Å; E580-K584 IonicContact OE1-NZ 2.85Å; E580-K584 PolarHBondContact OE1-NZ 2.98Å; Q581-K584 PolarHBondContact O-N 2.79Å; I582-K584 VanDerWaalsContact C-N 3.34Å; I582-K584 PolarHBondContact O-N 2.74Å; K584-K587 WeakPolarHBondContact O-CB 3.49Å; K584-Q588 PolarHBondContact O-N 2.83Å
585F96.7Very high96.4Very high115 Ų11564.4 Ų64.450%0.50432%0.322SS..Hα-helixtrans-69.7-42.9177.1-174.7-117.3000112Q581 I582 H583 K587 Q588 K589Q581-F585 PolarHBondContact O-N 2.95Å; I582-F585 WeakPolarHBondContact O-CB 3.25Å; I582-F585 PolarHBondContact O-N 3.46Å; I582-F585 VanDerWaalsContact O-N 3.09Å; H583-F585 VanDerWaalsContact C-N 3.31Å; H583-F585 PolarHBondContact O-N 3.32Å; F585-K587 VanDerWaalsContact C-N 3.28Å; F585-K587 PolarHBondContact O-N 2.68Å; F585-Q588 WeakPolarHBondContact O-CB 3.41Å; F585-Q588 PolarHBondContact O-N 3.46Å; F585-Q588 VanDerWaalsContact O-N 3.09Å; F585-K589 HydrophobicContact CD1-CD 4.41Å; F585-K589 HydrophobicContact CE1-CD 4.27Å; F585-K589 PolarHBondContact O-N 2.87Å
586D97.4Very high96.5Very high26 Ų2670 Ų7014%0.13935%0.346CS..Hα-helixtrans-67.1-30.5176.9-72.9-19.4000111.9I562 F566 I582 H583 Q588 K589 L590I562-D586 HydrophobicContact CG1-CB 4.33Å; I562-D586 HydrophobicContact CG2-CB 4.17Å; F566-D586 HydrophobicContact CE1-CB 4.11Å; F566-D586 HydrophobicContact CZ-CB 4.35Å; I582-D586 PolarHBondContact O-N 3.46Å; H583-D586 PolarHBondContact O-N 2.87Å; D586-Q588 VanDerWaalsContact C-N 3.31Å; D586-Q588 PolarHBondContact O-N 3.43Å; D586-K589 PolarHBondContact O-N 2.91Å; D586-K589 WeakPolarHBondContact OD1-CD 3.34Å; D586-K589 IonicContact OD1-NZ 2.68Å; D586-K589 PolarHBondContact OD1-NZ 3.37Å; D586-L590 WeakPolarHBondContact O-CB 3.46Å; D586-L590 PolarHBondContact O-N 3Å
587K96.3Very high96.6Very high18 Ų1866.4 Ų66.48%0.07832%0.323CS..Hα-helixtrans-60.5-38.9169.8178.9176.4176.71670112.1V402 Q403 R405 D411 F566 H583 K584 F585 L590V402-K587 VanDerWaalsContact CG1-CE 3.43Å; Q403-K587 WeakPolarHBondContact O-CE 3.22Å; Q403-K587 PolarHBondContact O-NZ 2.83Å; R405-K587 PolarHBondContact O-NZ 2.87Å; D411-K587 WeakPolarHBondContact OD1-CD 3.33Å; D411-K587 WeakPolarHBondContact OD1-CE 3.09Å; D411-K587 IonicContact OD1-NZ 3.66Å; D411-K587 PolarHBondContact OD1-NZ 2.98Å; D411-K587 IonicContact OD2-NZ 3.24Å; D411-K587 PolarHBondContact OD2-NZ 3.05Å; F566-K587 HydrophobicContact CE2-CB 4.28Å; F566-K587 HydrophobicContact CZ-CB 3.92Å; H583-K587 WeakPolarHBondContact O-CB 3.5Å; H583-K587 PolarHBondContact O-N 3.19Å; K584-K587 WeakPolarHBondContact O-CB 3.49Å; F585-K587 VanDerWaalsContact C-N 3.28Å; F585-K587 PolarHBondContact O-N 2.68Å; K587-L590 WeakPolarHBondContact O-CB 3.49Å
588Q95.8Very high96.7Very high123 Ų12360.3 Ų60.358%0.57530%0.299SS*.Hα-helixtrans-70.5-44.4175.1-66.3177.1-4.300111.4K584 F585 D586 L590 V591 I592K584-Q588 PolarHBondContact O-N 2.83Å; F585-Q588 WeakPolarHBondContact O-CB 3.41Å; F585-Q588 PolarHBondContact O-N 3.46Å; F585-Q588 VanDerWaalsContact O-N 3.09Å; D586-Q588 VanDerWaalsContact C-N 3.31Å; D586-Q588 PolarHBondContact O-N 3.43Å; Q588-L590 VanDerWaalsContact C-N 3.29Å; Q588-L590 PolarHBondContact O-N 3.2Å; Q588-V591 PolarHBondContact O-N 2.96Å; Q588-I592 WeakPolarHBondContact O-CG1 3.48Å; Q588-I592 PolarHBondContact O-N 3.07Å; Q588-I592 VanDerWaalsContact O-N 3.1Å
589K96.8Very high96.7Very high69 Ų6957.5 Ų57.530%0.329%0.288SS..Hα-helixtrans-57.6-42175.2-75.9-179.5-172.2148.60112.3I562 F585 D586 V591 I592 H593I562-K589 HydrophobicContact CD1-CB 4.12Å; F585-K589 HydrophobicContact CD1-CD 4.41Å; F585-K589 HydrophobicContact CE1-CD 4.27Å; F585-K589 PolarHBondContact O-N 2.87Å; D586-K589 PolarHBondContact O-N 2.91Å; D586-K589 WeakPolarHBondContact OD1-CD 3.34Å; D586-K589 IonicContact OD1-NZ 2.68Å; D586-K589 PolarHBondContact OD1-NZ 3.37Å; K589-V591 VanDerWaalsContact C-N 3.31Å; K589-V591 PolarHBondContact O-N 3.46Å; K589-I592 PolarHBondContact O-N 3.32Å; K589-I592 VanDerWaalsContact O-N 3.13Å; K589-H593 WeakPolarHBondContact O-CB 3.32Å; K589-H593 PolarHBondContact O-CD2 2.69Å; K589-H593 VanDerWaalsContact O-CG 3.32Å; K589-H593 PolarHBondContact O-N 2.77Å
590L96.6Very high96.7Very high3 Ų354.6 Ų54.62%0.01628%0.276CS..Hα-helixtrans-51.6-51.4177.2173.667.5000111A415 F418 I559 I562 F566 D586 K587 Q588 I592 H593 A594A415-L590 HydrophobicContact CB-CD1 4.4Å; A415-L590 HydrophobicContact CB-CD2 3.74Å; F418-L590 HydrophobicContact CB-CD1 4.05Å; F418-L590 HydrophobicContact CD2-CD1 4.39Å; F418-L590 HydrophobicContact CD2-CD2 3.95Å; F418-L590 HydrophobicContact CD2-CG 3.98Å; F418-L590 HydrophobicContact CG-CG 4.48Å; I559-L590 HydrophobicContact CB-CD1 4.33Å; I559-L590 HydrophobicContact CG1-CD1 4.28Å; I559-L590 HydrophobicContact CG2-CD1 3.68Å; I562-L590 HydrophobicContact CD1-CB 4.25Å; I562-L590 HydrophobicContact CG2-CB 4.3Å; F566-L590 HydrophobicContact CE2-CD2 4.33Å; D586-L590 WeakPolarHBondContact O-CB 3.46Å; D586-L590 PolarHBondContact O-N 3Å; K587-L590 WeakPolarHBondContact O-CB 3.49Å; Q588-L590 VanDerWaalsContact C-N 3.29Å; Q588-L590 PolarHBondContact O-N 3.2Å; L590-I592 PolarHBondContact O-N 3.21Å; L590-H593 PolarHBondContact O-N 3.35Å; L590-A594 VanDerWaalsContact O-CB 3.3Å; L590-A594 WeakPolarHBondContact O-CB 3.42Å; L590-A594 PolarHBondContact O-N 3.49Å
591V96.3Very high96.8Very high63 Ų6352.4 Ų52.438%0.38227%0.265SS..Hα-helixtrans-64.1-41.3178.9178.80000111.2V402 F418 Q588 K589 G595V402-V591 HydrophobicContact CB-CG2 4.47Å; V402-V591 HydrophobicContact CG2-CG2 3.96Å; F418-V591 HydrophobicContact CE2-CG2 4.39Å; F418-V591 HydrophobicContact CZ-CG2 4.46Å; Q588-V591 PolarHBondContact O-N 2.96Å; K589-V591 VanDerWaalsContact C-N 3.31Å; K589-V591 PolarHBondContact O-N 3.46Å; V591-G595 PolarHBondContact O-N 3.17Å
592I96.7Very high96.7Very high92 Ų9250.9 Ų50.947%0.47226%0.261SS..Hα-helixtrans-64.2-47.3178-67166.7000111.3Q588 K589 L590 G595 K596Q588-I592 WeakPolarHBondContact O-CG1 3.48Å; Q588-I592 PolarHBondContact O-N 3.07Å; Q588-I592 VanDerWaalsContact O-N 3.1Å; K589-I592 PolarHBondContact O-N 3.32Å; K589-I592 VanDerWaalsContact O-N 3.13Å; L590-I592 PolarHBondContact O-N 3.21Å; I592-G595 PolarHBondContact O-N 2.69Å; I592-K596 HydrophobicContact CG2-CD 4.27Å; I592-K596 WeakPolarHBondContact O-CG 3.5Å; I592-K596 PolarHBondContact O-N 2.6Å
593H97.7Very high96.7Very high45 Ų4549.4 Ų49.421%0.20825%0.254CS..Hα-helixtrans-64.3-43.9179.3-68.8-46000111.2L555 I559 K589 L590 K596 A597L555-H593 HydrophobicContact CD2-CB 4.34Å; I559-H593 HydrophobicContact CD1-CB 4.02Å; I559-H593 HydrophobicContact CG1-CB 3.73Å; K589-H593 WeakPolarHBondContact O-CB 3.32Å; K589-H593 PolarHBondContact O-CD2 2.69Å; K589-H593 VanDerWaalsContact O-CG 3.32Å; K589-H593 PolarHBondContact O-N 2.77Å; L590-H593 PolarHBondContact O-N 3.35Å; H593-K596 PolarHBondContact O-N 3.38Å; H593-A597 WeakPolarHBondContact O-CB 3.34Å; H593-A597 PolarHBondContact O-N 3.41Å
594A96.6Very high96.7Very high3 Ų352.7 Ų52.73%0.02527%0.27CS..Hα-helixtrans-62.8-42.6176.400000111.9F418 V422 I559 L590 A597 R598F418-A594 HydrophobicContact CB-CB 4.41Å; F418-A594 HydrophobicContact CD1-CB 3.45Å; F418-A594 VanDerWaalsContact CD1-CB 3.45Å; F418-A594 HydrophobicContact CE1-CB 3.91Å; F418-A594 HydrophobicContact CG-CB 4.09Å; V422-A594 HydrophobicContact CG2-CB 4.27Å; I559-A594 HydrophobicContact CD1-CB 4.12Å; L590-A594 VanDerWaalsContact O-CB 3.3Å; L590-A594 WeakPolarHBondContact O-CB 3.42Å; L590-A594 PolarHBondContact O-N 3.49Å; A594-A597 PolarHBondContact O-N 3.47Å; A594-R598 WeakPolarHBondContact O-CB 3.41Å; A594-R598 PolarHBondContact O-N 3.49Å
595G96.8Very high96.7Very high42 Ų4249.5 Ų49.543%0.43326%0.257SS..Hα-helixtrans-61.4-43.8175.200000112.8V591 I592 R598 S599V591-G595 PolarHBondContact O-N 3.17Å; I592-G595 PolarHBondContact O-N 2.69Å; G595-R598 PolarHBondContact O-N 3.43Å; G595-S599 PolarHBondContact O-N 2.67Å
596K97.6Very high96.7Very high127 Ų12744.1 Ų44.155%0.55223%0.234SC*.Hα-helixtrans-63.3-44.7175.4-75179.6179.5-176.10112.4L555 I592 H593 R598 S599 L600L555-K596 HydrophobicContact CD1-CB 4.06Å; I592-K596 HydrophobicContact CG2-CD 4.27Å; I592-K596 WeakPolarHBondContact O-CG 3.5Å; I592-K596 PolarHBondContact O-N 2.6Å; H593-K596 PolarHBondContact O-N 3.38Å; K596-R598 VanDerWaalsContact C-N 3.28Å; K596-R598 PolarHBondContact O-N 3.41Å; K596-S599 PolarHBondContact O-N 3.33Å; K596-L600 WeakPolarHBondContact O-CB 3.3Å; K596-L600 PolarHBondContact O-N 3.01Å
597A97.3Very high96.7Very high0 Ų048.2 Ų48.20%025%0.253CS..Hα-helixtrans-62.7-40.1179.800000111.2V422 L555 H593 A594 F601V422-A597 HydrophobicContact CG1-CB 3.71Å; V422-A597 HydrophobicContact CG2-CB 4.14Å; L555-A597 HydrophobicContact CB-CB 4.04Å; L555-A597 HydrophobicContact CD1-CB 3.79Å; H593-A597 WeakPolarHBondContact O-CB 3.34Å; H593-A597 PolarHBondContact O-N 3.41Å; A594-A597 PolarHBondContact O-N 3.47Å; A597-F601 WeakPolarHBondContact O-CB 3.48Å; A597-F601 PolarHBondContact O-N 2.93Å
598R96.4Very high96.8Very high35 Ų3550.3 Ų50.313%0.13226%0.262CS..Hα-helixtrans-67.3-47.5177.4-172.1175.6-65.2-100.92112.7D396 P397 D421 L425 A594 G595 K596 L600 F601 T602D396-R598 VanDerWaalsContact CG-NH1 3.26Å; D396-R598 IonicContact OD1-CZ 3.57Å; D396-R598 IonicContact OD1-NH1 2.73Å; D396-R598 PolarHBondContact OD1-NH1 2.9Å; D396-R598 IonicContact OD2-NH1 2.68Å; D396-R598 PolarHBondContact OD2-NH1 3.14Å; P397-R598 PolarHBondContact O-NH1 3.06Å; P397-R598 PolarHBondContact O-NH2 2.84Å; D421-R598 IonicContact OD2-NH2 3.62Å; L425-R598 HydrophobicContact CD1-CB 4.32Å; L425-R598 HydrophobicContact CD1-CG 4.27Å; A594-R598 WeakPolarHBondContact O-CB 3.41Å; A594-R598 PolarHBondContact O-N 3.49Å; G595-R598 PolarHBondContact O-N 3.43Å; K596-R598 VanDerWaalsContact C-N 3.28Å; K596-R598 PolarHBondContact O-N 3.41Å; R598-L600 VanDerWaalsContact C-N 3.31Å; R598-L600 PolarHBondContact O-N 2.88Å; R598-F601 WeakPolarHBondContact O-CB 3.24Å; R598-F601 PolarHBondContact O-N 2.92Å; R598-F601 VanDerWaalsContact O-N 3.12Å; R598-T602 HydrophobicContact CG-CG2 4.38Å; R598-T602 WeakPolarHBondContact O-CG2 3.5Å; R598-T602 PolarHBondContact O-N 3.21Å; R598-T602 PolarHBondContact O-OG1 3.19Å
599S96.2Very high96.9Very high58 Ų5844.7 Ų44.741%0.40624%0.236SC..Hα-helixtrans-60.5-42.5175.5166.70000111.3G595 K596 F601 T602 D603G595-S599 PolarHBondContact O-N 2.67Å; K596-S599 PolarHBondContact O-N 3.33Å; S599-F601 VanDerWaalsContact C-N 3.29Å; S599-F601 PolarHBondContact O-N 2.91Å; S599-T602 WeakPolarHBondContact CA-OG1 3.31Å; S599-T602 PolarHBondContact O-N 3.3Å; S599-T602 PolarHBondContact O-OG1 3.29Å; S599-D603 VanDerWaalsContact O-CB 3.23Å; S599-D603 WeakPolarHBondContact O-CB 3.39Å; S599-D603 PolarHBondContact O-N 2.88Å; S599-D603 PolarHBondContact OG-OD2 3.42Å
600L97.1Very high96.9Very high31 Ų3148.6 Ų48.616%0.16225%0.249CC..Iπ-helixtrans-60.1-40.3174.7-176.764.1000111.9K551 I552 K596 R598 E604 C605K551-L600 HydrophobicContact CB-CD2 3.51Å; K551-L600 HydrophobicContact CD-CD2 4.38Å; I552-L600 HydrophobicContact CD1-CD2 4.49Å; I552-L600 HydrophobicContact CD1-CG 4.43Å; I552-L600 HydrophobicContact CG1-CB 4.4Å; I552-L600 HydrophobicContact CG1-CD2 3.57Å; I552-L600 HydrophobicContact CG1-CG 3.98Å; K596-L600 WeakPolarHBondContact O-CB 3.3Å; K596-L600 PolarHBondContact O-N 3.01Å; R598-L600 VanDerWaalsContact C-N 3.31Å; R598-L600 PolarHBondContact O-N 2.88Å; L600-E604 HydrophobicContact CD1-CB 3.92Å; L600-E604 HydrophobicContact CD1-CG 3.84Å; L600-E604 VanDerWaalsContact O-CB 3.32Å; L600-E604 WeakPolarHBondContact O-CB 3.33Å; L600-E604 PolarHBondContact O-N 3.18Å; L600-E604 VanDerWaalsContact O-N 3.15Å; L600-C605 PolarHBondContact O-N 3.42Å
601F97.4Very high96.9Very high2 Ų253 Ų531%0.00927%0.271CS..Iπ-helixtrans-65.8-51.4174.5174.5-96000112.3F394 L425 T428 L432 I552 A597 R598 S599 C605 A606F394-F601 HydrophobicContact CD2-CE1 4.37Å; F394-F601 AromaticContact CD2-CZ 3.91Å; F394-F601 HydrophobicContact CD2-CZ 3.91Å; F394-F601 AromaticContact CE2-CE1 3.88Å; F394-F601 HydrophobicContact CE2-CE1 3.88Å; F394-F601 AromaticContact CE2-CZ 3.63Å; F394-F601 HydrophobicContact CE2-CZ 3.63Å; F394-F601 HydrophobicContact CZ-CZ 4.38Å; L425-F601 HydrophobicContact CB-CB 4.39Å; L425-F601 HydrophobicContact CB-CD2 4.06Å; L425-F601 HydrophobicContact CB-CG 4.09Å; L425-F601 HydrophobicContact CD1-CB 4.32Å; L425-F601 HydrophobicContact CD1-CD1 4.34Å; L425-F601 HydrophobicContact CD1-CG 4.34Å; L425-F601 HydrophobicContact CD2-CD1 3.72Å; L425-F601 HydrophobicContact CD2-CD2 4.36Å; L425-F601 HydrophobicContact CD2-CE1 3.69Å; L425-F601 HydrophobicContact CD2-CE2 4.34Å; L425-F601 HydrophobicContact CD2-CG 4.07Å; L425-F601 HydrophobicContact CD2-CZ 4.01Å; L425-F601 HydrophobicContact CG-CD1 4.42Å; L425-F601 HydrophobicContact CG-CG 4.38Å; L425-F601 WeakPolarHBondContact O-CD2 3.39Å; T428-F601 HydrophobicContact CG2-CE2 3.81Å; T428-F601 HydrophobicContact CG2-CZ 3.77Å; L432-F601 HydrophobicContact CD1-CE2 4.02Å; L432-F601 HydrophobicContact CD1-CZ 4.28Å; I552-F601 HydrophobicContact CD1-CB 4.11Å; A597-F601 WeakPolarHBondContact O-CB 3.48Å; A597-F601 PolarHBondContact O-N 2.93Å; R598-F601 WeakPolarHBondContact O-CB 3.24Å; R598-F601 PolarHBondContact O-N 2.92Å; R598-F601 VanDerWaalsContact O-N 3.12Å; S599-F601 VanDerWaalsContact C-N 3.29Å; S599-F601 PolarHBondContact O-N 2.91Å; F601-C605 HydrophobicContact CD2-CB 4.3Å; F601-C605 CarbonylContact O-C 3.42Å; F601-C605 WeakPolarHBondContact O-CA 3.46Å; F601-C605 VanDerWaalsContact O-CB 3.25Å; F601-C605 WeakPolarHBondContact O-CB 3.38Å; F601-C605 PolarHBondContact O-N 2.94Å; F601-C605 VanDerWaalsContact O-N 3.15Å; F601-A606 HydrophobicContact CD1-CB 4.5Å; F601-A606 HydrophobicContact CE1-CB 4.06Å; F601-A606 HydrophobicContact CZ-CB 4.27Å; F601-A606 PolarHBondContact O-N 2.79Å
602T96.3Very high97Very high44 Ų4450 Ų5027%0.2725%0.253SS..Iπ-helixtrans-65.9-45.4-174.253.20000111.7R598 S599 M607R598-T602 HydrophobicContact CG-CG2 4.38Å; R598-T602 WeakPolarHBondContact O-CG2 3.5Å; R598-T602 PolarHBondContact O-N 3.21Å; R598-T602 PolarHBondContact O-OG1 3.19Å; S599-T602 WeakPolarHBondContact CA-OG1 3.31Å; S599-T602 PolarHBondContact O-N 3.3Å; S599-T602 PolarHBondContact O-OG1 3.29Å; T602-M607 WeakPolarHBondContact O-CB 3.21Å; T602-M607 PolarHBondContact O-N 3.28Å
603D95.3Very high97.1Very high68 Ų6846.3 Ų46.336%0.36423%0.234SC..Iπ-helixtrans-89.5-41.9-166.2-50.3-22000110.5S599 M607S599-D603 VanDerWaalsContact O-CB 3.23Å; S599-D603 WeakPolarHBondContact O-CB 3.39Å; S599-D603 PolarHBondContact O-N 2.88Å; S599-D603 PolarHBondContact OG-OD2 3.42Å; D603-M607 WeakPolarHBondContact O-CE 3.32Å
604E96.6Very high97Very high71 Ų7147.1 Ų47.133%0.33225%0.245SC..Iπ-helixtrans-98.9-22.2-175.1-61.8-63.8143.300113.8T542 L600 K608T542-E604 WeakPolarHBondContact CG2-O 3.38Å; L600-E604 HydrophobicContact CD1-CB 3.92Å; L600-E604 HydrophobicContact CD1-CG 3.84Å; L600-E604 VanDerWaalsContact O-CB 3.32Å; L600-E604 WeakPolarHBondContact O-CB 3.33Å; L600-E604 PolarHBondContact O-N 3.18Å; L600-E604 VanDerWaalsContact O-N 3.15Å; E604-K608 WeakPolarHBondContact O-CD 3.34Å; E604-K608 VanDerWaalsContact OE2-CE 3.24Å; E604-K608 WeakPolarHBondContact OE2-CE 3.49Å; E604-K608 IonicContact OE2-NZ 3.89Å; E604-K608 PolarHBondContact OE2-NZ 2.83Å
605C97.4Very high97Very high5 Ų550.7 Ų50.73%0.03426%0.26CS..Iπ-helixtrans-105.2-66.1179.8-52.10000111.6L432 L600 F601 Y609L432-C605 HydrophobicContact CD1-CB 4.37Å; L600-C605 PolarHBondContact O-N 3.42Å; F601-C605 HydrophobicContact CD2-CB 4.3Å; F601-C605 CarbonylContact O-C 3.42Å; F601-C605 WeakPolarHBondContact O-CA 3.46Å; F601-C605 VanDerWaalsContact O-CB 3.25Å; F601-C605 WeakPolarHBondContact O-CB 3.38Å; F601-C605 PolarHBondContact O-N 2.94Å; F601-C605 VanDerWaalsContact O-N 3.15Å; C605-Y609 WeakPolarHBondContact O-CB 3.21Å; C605-Y609 PolarHBondContact O-N 3.49Å
606A97.1Very high97Very high2 Ų248.8 Ų48.82%0.01724%0.24CC..Iπ-helixtrans-65.8-44.4-172.100000112.9F394 L432 F601 R610F394-A606 HydrophobicContact CE2-CB 4.16Å; F394-A606 HydrophobicContact CZ-CB 3.84Å; L432-A606 HydrophobicContact CD1-CB 4.45Å; F601-A606 HydrophobicContact CD1-CB 4.5Å; F601-A606 HydrophobicContact CE1-CB 4.06Å; F601-A606 HydrophobicContact CZ-CB 4.27Å; F601-A606 PolarHBondContact O-N 2.79Å; A606-R610 VanDerWaalsContact O-CG 3.31Å; A606-R610 WeakPolarHBondContact O-CG 3.18Å; A606-R610 PolarHBondContact O-N 3.41Å
607M96.7Very high96.9Very high111 Ų11146.2 Ų46.255%0.54723%0.23SC..Hα-helixtrans-64.5-49.1178.7-175.2-179.572.800111.9T602 D603 Y609 R610 L611T602-M607 WeakPolarHBondContact O-CB 3.21Å; T602-M607 PolarHBondContact O-N 3.28Å; D603-M607 WeakPolarHBondContact O-CE 3.32Å; M607-Y609 VanDerWaalsContact C-N 3.33Å; M607-Y609 PolarHBondContact O-N 3.13Å; M607-R610 PolarHBondContact O-N 3.38Å; M607-L611 PolarHBondContact O-N 3.26Å
608K97.6Very high96.8Very high62 Ų6249 Ų4927%0.2724%0.244SC..Hα-helixtrans-62.4-39.6178-72.2-171.8176.2169.90112.1T542 E604 L611 F612T542-K608 HydrophobicContact CG2-CB 3.99Å; T542-K608 HydrophobicContact CG2-CD 3.97Å; E604-K608 WeakPolarHBondContact O-CD 3.34Å; E604-K608 VanDerWaalsContact OE2-CE 3.24Å; E604-K608 WeakPolarHBondContact OE2-CE 3.49Å; E604-K608 IonicContact OE2-NZ 3.89Å; E604-K608 PolarHBondContact OE2-NZ 2.83Å; K608-L611 PolarHBondContact O-N 3.38Å; K608-F612 WeakPolarHBondContact O-CB 3.28Å; K608-F612 PolarHBondContact O-N 2.83Å
609Y98.3Very high96.8Very high6 Ų647.8 Ų47.82%0.02424%0.239CC..Hα-helixtrans-58.2-51.2172.2171.6-97000112.2G391 L392 L432 Q436 C605 M607 L611 F612 I613G391-Y609 WeakPolarHBondContact CA-OH 3.25Å; L392-Y609 HydrophobicContact CB-CE1 4.48Å; L392-Y609 PolarHBondContact N-OH 2.92Å; L432-Y609 HydrophobicContact CB-CD2 4Å; L432-Y609 HydrophobicContact CB-CG 4.23Å; L432-Y609 HydrophobicContact CD2-CD1 3.55Å; L432-Y609 HydrophobicContact CD2-CD2 3.8Å; L432-Y609 HydrophobicContact CD2-CE1 3.7Å; L432-Y609 HydrophobicContact CD2-CE2 3.96Å; L432-Y609 HydrophobicContact CD2-CG 3.6Å; L432-Y609 HydrophobicContact CG-CD2 4.46Å; L432-Y609 HydrophobicContact CG-CG 4.33Å; Q436-Y609 HydrophobicContact CG-CD2 3.8Å; Q436-Y609 HydrophobicContact CG-CE2 4.3Å; C605-Y609 WeakPolarHBondContact O-CB 3.21Å; C605-Y609 PolarHBondContact O-N 3.49Å; M607-Y609 VanDerWaalsContact C-N 3.33Å; M607-Y609 PolarHBondContact O-N 3.13Å; Y609-L611 VanDerWaalsContact C-N 3.29Å; Y609-L611 PolarHBondContact O-N 3.1Å; Y609-F612 WeakPolarHBondContact O-CB 3.48Å; Y609-F612 PolarHBondContact O-N 3.01Å; Y609-F612 VanDerWaalsContact O-N 3.08Å; Y609-I613 HydrophobicContact CD1-CG1 4.2Å; Y609-I613 HydrophobicContact CD2-CG1 4.22Å; Y609-I613 HydrophobicContact CE1-CG1 3.71Å; Y609-I613 HydrophobicContact CE2-CD1 3.81Å; Y609-I613 HydrophobicContact CE2-CG1 3.71Å; Y609-I613 HydrophobicContact CG-CG1 4.43Å; Y609-I613 VanDerWaalsContact CZ-CG1 3.43Å; Y609-I613 WeakPolarHBondContact O-CG1 3.04Å; Y609-I613 PolarHBondContact O-N 3.13Å
610R97.3Very high96.7Very high151 Ų15145.7 Ų45.757%0.5722%0.223SC*.Hα-helixtrans-59.6-40.9179.8-72.1173.5-168.4144.92.5111.8A606 M607 I613 S614A606-R610 VanDerWaalsContact O-CG 3.31Å; A606-R610 WeakPolarHBondContact O-CG 3.18Å; A606-R610 PolarHBondContact O-N 3.41Å; M607-R610 PolarHBondContact O-N 3.38Å; R610-I613 PolarHBondContact O-N 3.16Å; R610-S614 WeakPolarHBondContact O-CB 3.49Å; R610-S614 PolarHBondContact O-N 3.12Å
611L97.2Very high96.6Very high94 Ų9450.4 Ų50.449%0.49224%0.238SC..Hα-helixtrans-62.6-43.4174.7-178.662.7000111.7V540 M607 K608 Y609 S614 K615V540-L611 HydrophobicContact CG1-CB 4.43Å; V540-L611 HydrophobicContact CG1-CD2 4.06Å; V540-L611 HydrophobicContact CG1-CG 3.83Å; M607-L611 PolarHBondContact O-N 3.26Å; K608-L611 PolarHBondContact O-N 3.38Å; Y609-L611 VanDerWaalsContact C-N 3.29Å; Y609-L611 PolarHBondContact O-N 3.1Å; L611-S614 PolarHBondContact O-N 3.3Å; L611-K615 WeakPolarHBondContact O-CG 3.36Å; L611-K615 PolarHBondContact O-N 3.5Å
612F98.1Very high96.5Very high0 Ų054 Ų540%025%0.254CS..Hα-helixtrans-61.2-45.4176.8179.9-88.8000112.2Q436 V439 R440 W536 V540 K608 Y609 S614 K615 S616Q436-F612 HydrophobicContact CB-CD1 4.21Å; Q436-F612 HydrophobicContact CB-CE1 3.98Å; Q436-F612 HydrophobicContact CB-CZ 4.25Å; Q436-F612 HydrophobicContact CG-CD1 3.64Å; Q436-F612 HydrophobicContact CG-CE1 3.91Å; Q436-F612 HydrophobicContact CG-CG 4.04Å; V439-F612 HydrophobicContact CB-CE1 3.7Å; V439-F612 HydrophobicContact CB-CZ 4.11Å; V439-F612 HydrophobicContact CG1-CE1 3.58Å; V439-F612 HydrophobicContact CG1-CZ 3.84Å; V439-F612 HydrophobicContact CG2-CE1 4.28Å; R440-F612 HydrophobicContact CG-CE2 4.44Å; R440-F612 HydrophobicContact CG-CZ 4.09Å; W536-F612 HydrophobicContact CE3-CE2 4.42Å; W536-F612 HydrophobicContact CH2-CE2 4.25Å; W536-F612 HydrophobicContact CH2-CZ 4.16Å; W536-F612 AromaticContact CZ3-CD2 3.85Å; W536-F612 HydrophobicContact CZ3-CD2 3.85Å; W536-F612 AromaticContact CZ3-CE2 3.67Å; W536-F612 HydrophobicContact CZ3-CE2 3.67Å; W536-F612 HydrophobicContact CZ3-CG 4.37Å; W536-F612 HydrophobicContact CZ3-CZ 4.03Å; V540-F612 HydrophobicContact CB-CD2 4.37Å; V540-F612 HydrophobicContact CG1-CB 4.09Å; V540-F612 HydrophobicContact CG1-CD2 4.43Å; V540-F612 VanDerWaalsContact O-CD2 3.3Å; V540-F612 WeakPolarHBondContact O-CD2 3.28Å; K608-F612 WeakPolarHBondContact O-CB 3.28Å; K608-F612 PolarHBondContact O-N 2.83Å; Y609-F612 WeakPolarHBondContact O-CB 3.48Å; Y609-F612 PolarHBondContact O-N 3.01Å; Y609-F612 VanDerWaalsContact O-N 3.08Å; F612-S614 PolarHBondContact O-N 3.42Å; F612-K615 PolarHBondContact O-N 2.76Å; F612-S616 PolarHBondContact O-N 2.76Å
613I97.7Very high96.4Very high15 Ų1552 Ų528%0.07724%0.242CC..Hα-helixtrans-63.4-42.3176.8-64.2-55.7000111.4A319 T389 Y609 R610 K615 S616 E617A319-I613 HydrophobicContact CB-CD1 3.68Å; T389-I613 HydrophobicContact CG2-CG2 3.33Å; Y609-I613 HydrophobicContact CD1-CG1 4.2Å; Y609-I613 HydrophobicContact CD2-CG1 4.22Å; Y609-I613 HydrophobicContact CE1-CG1 3.71Å; Y609-I613 HydrophobicContact CE2-CD1 3.81Å; Y609-I613 HydrophobicContact CE2-CG1 3.71Å; Y609-I613 HydrophobicContact CG-CG1 4.43Å; Y609-I613 VanDerWaalsContact CZ-CG1 3.43Å; Y609-I613 WeakPolarHBondContact O-CG1 3.04Å; Y609-I613 PolarHBondContact O-N 3.13Å; R610-I613 PolarHBondContact O-N 3.16Å; I613-K615 VanDerWaalsContact C-N 3.29Å; I613-K615 PolarHBondContact O-N 3.27Å; I613-S616 WeakPolarHBondContact O-CB 3.26Å; I613-S616 PolarHBondContact O-N 2.76Å; I613-E617 PolarHBondContact O-N 2.64Å
614S96.5Very high96.3Very high62 Ų6251 Ų5143%0.43424%0.235SC..Hα-helixtrans-60.6-38.6174.9-179.40000112.3R610 L611 F612 E617 E618R610-S614 WeakPolarHBondContact O-CB 3.49Å; R610-S614 PolarHBondContact O-N 3.12Å; L611-S614 PolarHBondContact O-N 3.3Å; F612-S614 PolarHBondContact O-N 3.42Å; S614-E617 PolarHBondContact O-N 2.95Å; S614-E618 PolarHBondContact O-N 3.01Å; S614-E618 VanDerWaalsContact O-N 3.09Å
615K96.3Very high96.2Very high78 Ų7852.6 Ų52.634%0.33924%0.242SC..Hα-helixtrans-68.8-38.4174.3-74.6-74.2165.5-164.40112.7W536 V540 L611 F612 I613 E617 E618 W619W536-K615 HydrophobicContact CE3-CB 3.76Å; W536-K615 HydrophobicContact CZ3-CB 3.82Å; V540-K615 HydrophobicContact CG1-CG 4.35Å; V540-K615 HydrophobicContact CG2-CG 4.44Å; L611-K615 WeakPolarHBondContact O-CG 3.36Å; L611-K615 PolarHBondContact O-N 3.5Å; F612-K615 PolarHBondContact O-N 2.76Å; I613-K615 VanDerWaalsContact C-N 3.29Å; I613-K615 PolarHBondContact O-N 3.27Å; K615-E617 VanDerWaalsContact C-N 3.32Å; K615-E617 PolarHBondContact O-N 3.2Å; K615-E618 IonicContact NZ-OE2 2.76Å; K615-E618 PolarHBondContact NZ-OE2 2.66Å; K615-E618 PolarHBondContact O-N 2.66Å; K615-W619 WeakPolarHBondContact O-CB 3.47Å; K615-W619 PolarHBondContact O-N 3.36Å
616S96.5Very high96Very high3 Ų352.5 Ų52.52%0.02124%0.241CC..Hα-helixtrans-59.2-43.5172.5-169.70000111.6F612 I613 W619 M620F612-S616 PolarHBondContact O-N 2.76Å; I613-S616 WeakPolarHBondContact O-CB 3.26Å; I613-S616 PolarHBondContact O-N 2.76Å; S616-W619 PolarHBondContact O-N 3.3Å; S616-M620 WeakPolarHBondContact O-CB 3.48Å; S616-M620 WeakPolarHBondContact O-CG 3.41Å; S616-M620 PolarHBondContact O-N 3.42Å
617E96Very high95.9Very high72 Ų7253.9 Ų53.934%0.33625%0.246SC..Hα-helixtrans-62.2-46.7176.5-171.4-158.7143.900111.6T389 I613 S614 K615 W619 M620 R621T389-E617 HydrophobicContact CG2-CB 4.5Å; T389-E617 WeakPolarHBondContact OG1-CG 3.36Å; I613-E617 PolarHBondContact O-N 2.64Å; S614-E617 PolarHBondContact O-N 2.95Å; K615-E617 VanDerWaalsContact C-N 3.32Å; K615-E617 PolarHBondContact O-N 3.2Å; E617-W619 VanDerWaalsContact C-N 3.3Å; E617-W619 PolarHBondContact O-N 2.85Å; E617-M620 PolarHBondContact O-N 3.13Å; E617-R621 VanDerWaalsContact CD-NH2 3.34Å; E617-R621 PolarHBondContact O-N 3.45Å; E617-R621 VanDerWaalsContact O-N 3.1Å; E617-R621 IonicContact OE1-CZ 3.47Å; E617-R621 IonicContact OE1-NE 2.74Å; E617-R621 PolarHBondContact OE1-NE 2.91Å; E617-R621 IonicContact OE1-NH2 3.37Å; E617-R621 PolarHBondContact OE1-NH2 2.77Å; E617-R621 IonicContact OE2-NH2 2.75Å
618E95Very high95.7Very high60 Ų6055.7 Ų55.728%0.2825%0.251SS..Hα-helixtrans-58.1-44175.9-166.6-157.5138.200111.6S614 K615 R621 K622S614-E618 PolarHBondContact O-N 3.01Å; S614-E618 VanDerWaalsContact O-N 3.09Å; K615-E618 IonicContact NZ-OE2 2.76Å; K615-E618 PolarHBondContact NZ-OE2 2.66Å; K615-E618 PolarHBondContact O-N 2.66Å; E618-R621 PolarHBondContact O-N 3.08Å; E618-K622 PolarHBondContact O-N 3.28Å; E618-K622 WeakPolarHBondContact OE1-CE 3.29Å; E618-K622 IonicContact OE1-NZ 2.68Å; E618-K622 PolarHBondContact OE1-NZ 2.9Å
619W95.8Very high95.5Very high8 Ų854.9 Ų54.93%0.0325%0.248CC..Hα-helixtrans-66-40.9177.3-177.386.6000112V443 L446 I447 T533 W536 K615 S616 E617 R621 K622 V623V443-W619 HydrophobicContact CB-CH2 4.13Å; V443-W619 HydrophobicContact CB-CZ3 4.21Å; V443-W619 HydrophobicContact CG1-CH2 3.69Å; V443-W619 HydrophobicContact CG1-CZ2 3.75Å; V443-W619 HydrophobicContact CG1-CZ3 4.09Å; V443-W619 HydrophobicContact CG2-CE3 4.01Å; V443-W619 HydrophobicContact CG2-CH2 4.11Å; V443-W619 HydrophobicContact CG2-CZ3 3.68Å; L446-W619 HydrophobicContact CB-CH2 4.44Å; L446-W619 HydrophobicContact CD2-CH2 4.06Å; L446-W619 HydrophobicContact CD2-CZ3 4Å; L446-W619 HydrophobicContact CG-CH2 4.38Å; I447-W619 HydrophobicContact CD1-CZ2 3.92Å; I447-W619 HydrophobicContact CG1-CH2 4.2Å; I447-W619 HydrophobicContact CG1-CZ2 3.73Å; T533-W619 PolarHBondContact O-NE1 3.33Å; T533-W619 VanDerWaalsContact O-NE1 3.16Å; W536-W619 AromaticContact CD1-CD1 3.84Å; W536-W619 AromaticContact CE2-CG 3.96Å; W536-W619 HydrophobicContact CZ2-CB 4.02Å; W536-W619 HydrophobicContact CZ2-CD2 4.35Å; W536-W619 HydrophobicContact CZ2-CG 4.1Å; W536-W619 AromaticContact NE1-CD1 3.21Å; W536-W619 AromaticContact NE1-CG 3.44Å; W536-W619 AromaticContact NE1-NE1 3.64Å; K615-W619 WeakPolarHBondContact O-CB 3.47Å; K615-W619 PolarHBondContact O-N 3.36Å; S616-W619 PolarHBondContact O-N 3.3Å; E617-W619 VanDerWaalsContact C-N 3.3Å; E617-W619 PolarHBondContact O-N 2.85Å; W619-R621 VanDerWaalsContact C-N 3.3Å; W619-R621 PolarHBondContact O-N 2.67Å; W619-K622 WeakPolarHBondContact O-CA 3.4Å; W619-K622 WeakPolarHBondContact O-CB 3.26Å; W619-K622 PolarHBondContact O-N 2.98Å; W619-V623 HydrophobicContact CD2-CG2 3.89Å; W619-V623 HydrophobicContact CE3-CG2 3.75Å; W619-V623 HydrophobicContact CH2-CG2 3.44Å; W619-V623 VanDerWaalsContact CH2-CG2 3.44Å; W619-V623 HydrophobicContact CZ2-CG2 3.57Å; W619-V623 HydrophobicContact CZ3-CG2 3.54Å; W619-V623 PolarHBondContact O-N 2.73Å
620M95.5Very high95.3Very high14 Ų1455 Ų557%0.06925%0.249CC..Hα-helixtrans-61.5-34.5176.4-83.1-63.3-163.600113.4L316 Q317 L446 S616 E617 K622 V623 H624L316-M620 HydrophobicContact CB-CE 4.02Å; L316-M620 HydrophobicContact CD2-CE 3.54Å; L316-M620 HydrophobicContact CG-CE 3.37Å; Q317-M620 HydrophobicContact CB-CE 4.46Å; Q317-M620 HydrophobicContact CG-CE 3.63Å; Q317-M620 HydrophobicContact CG-CG 4.27Å; Q317-M620 HydrophobicContact CG-SD 3.82Å; L446-M620 HydrophobicContact CD2-CE 3.9Å; L446-M620 HydrophobicContact CD2-SD 4.06Å; S616-M620 WeakPolarHBondContact O-CB 3.48Å; S616-M620 WeakPolarHBondContact O-CG 3.41Å; S616-M620 PolarHBondContact O-N 3.42Å; E617-M620 PolarHBondContact O-N 3.13Å; M620-K622 VanDerWaalsContact C-N 3.32Å; M620-K622 PolarHBondContact O-N 2.99Å; M620-V623 WeakPolarHBondContact O-CB 3.37Å; M620-V623 PolarHBondContact O-N 3.35Å; M620-V623 HydrophobicContact SD-CB 4.49Å; M620-H624 PolarHBondContact O-N 2.87Å
621R94.1Very high95.2Very high130 Ų13053.8 Ų53.849%0.49125%0.253SS..Hα-helixtrans-63.1-39172.5-67.1-175.9-127123-2.5111.9E617 E618 W619 H624 H625E617-R621 VanDerWaalsContact CD-NH2 3.34Å; E617-R621 PolarHBondContact O-N 3.45Å; E617-R621 VanDerWaalsContact O-N 3.1Å; E617-R621 IonicContact OE1-CZ 3.47Å; E617-R621 IonicContact OE1-NE 2.74Å; E617-R621 PolarHBondContact OE1-NE 2.91Å; E617-R621 IonicContact OE1-NH2 3.37Å; E617-R621 PolarHBondContact OE1-NH2 2.77Å; E617-R621 IonicContact OE2-NH2 2.75Å; E618-R621 PolarHBondContact O-N 3.08Å; W619-R621 VanDerWaalsContact C-N 3.3Å; W619-R621 PolarHBondContact O-N 2.67Å; R621-H624 PolarHBondContact O-N 3.38Å; R621-H625 PolarHBondContact O-N 2.91Å; R621-H625 VanDerWaalsContact O-N 3.08Å
622K94.4Very high95Very high77 Ų7751 Ų5134%0.33525%0.248SC..Hα-helixtrans-66.5-44175.8-61169.7-172169.90110.8V531 L532 E618 W619 M620 H624 H625 V626V531-K622 HydrophobicContact CB-CD 4.35Å; L532-K622 HydrophobicContact CD2-CB 4.38Å; E618-K622 PolarHBondContact O-N 3.28Å; E618-K622 WeakPolarHBondContact OE1-CE 3.29Å; E618-K622 IonicContact OE1-NZ 2.68Å; E618-K622 PolarHBondContact OE1-NZ 2.9Å; W619-K622 WeakPolarHBondContact O-CA 3.4Å; W619-K622 WeakPolarHBondContact O-CB 3.26Å; W619-K622 PolarHBondContact O-N 2.98Å; M620-K622 VanDerWaalsContact C-N 3.32Å; M620-K622 PolarHBondContact O-N 2.99Å; K622-H624 PolarHBondContact O-N 3.5Å; K622-H625 WeakPolarHBondContact O-CB 3.37Å; K622-H625 PolarHBondContact O-N 2.88Å; K622-V626 WeakPolarHBondContact O-CG2 3.44Å; K622-V626 PolarHBondContact O-N 3.05Å
623V94.9Very high94.9Very high4 Ų451.1 Ų51.12%0.02425%0.248CC..Hα-helixtrans-55.7-50.9173.8165.80000111.5L446 M450 L532 W619 M620 H625 V626 R627L446-V623 HydrophobicContact CD2-CG1 3.95Å; L446-V623 HydrophobicContact CG-CG1 4.44Å; M450-V623 HydrophobicContact CE-CG1 4.44Å; M450-V623 HydrophobicContact SD-CB 4.47Å; M450-V623 HydrophobicContact SD-CG1 3.66Å; M450-V623 HydrophobicContact SD-CG2 4.42Å; L532-V623 HydrophobicContact CD2-CB 4.41Å; L532-V623 HydrophobicContact CD2-CG2 3.67Å; W619-V623 HydrophobicContact CD2-CG2 3.89Å; W619-V623 HydrophobicContact CE3-CG2 3.75Å; W619-V623 HydrophobicContact CH2-CG2 3.44Å; W619-V623 VanDerWaalsContact CH2-CG2 3.44Å; W619-V623 HydrophobicContact CZ2-CG2 3.57Å; W619-V623 HydrophobicContact CZ3-CG2 3.54Å; W619-V623 PolarHBondContact O-N 2.73Å; M620-V623 WeakPolarHBondContact O-CB 3.37Å; M620-V623 PolarHBondContact O-N 3.35Å; M620-V623 HydrophobicContact SD-CB 4.49Å; V623-H625 VanDerWaalsContact C-N 3.3Å; V623-H625 PolarHBondContact O-N 2.73Å; V623-V626 PolarHBondContact O-N 2.95Å; V623-R627 HydrophobicContact CG1-CG 4.33Å; V623-R627 WeakPolarHBondContact O-CG 3.46Å; V623-R627 PolarHBondContact O-N 3.02Å
624H93.5Very high94.8Very high47 Ų4752.3 Ų52.322%0.21826%0.258CS..Hα-helixtrans-59.8-42179.9-18078.2000111.7R384 V386 M620 R621 K622 V626 R627 K628R384-H624 PolarHBondContact O-ND1 2.96Å; V386-H624 HydrophobicContact CG2-CB 4.45Å; M620-H624 PolarHBondContact O-N 2.87Å; R621-H624 PolarHBondContact O-N 3.38Å; K622-H624 PolarHBondContact O-N 3.5Å; H624-V626 PolarHBondContact O-N 3.49Å; H624-R627 PolarHBondContact O-N 2.93Å; H624-K628 PolarHBondContact O-N 3.12Å
625H93.4Very high94.7Very high104 Ų10451.4 Ų51.448%0.48126%0.259SS..Hα-helixtrans-59.2-46.5175.4-178.277.2000112.4R621 K622 V623 K628 Q629R621-H625 PolarHBondContact O-N 2.91Å; R621-H625 VanDerWaalsContact O-N 3.08Å; K622-H625 WeakPolarHBondContact O-CB 3.37Å; K622-H625 PolarHBondContact O-N 2.88Å; V623-H625 VanDerWaalsContact C-N 3.3Å; V623-H625 PolarHBondContact O-N 2.73Å; H625-K628 WeakPolarHBondContact O-CB 3.46Å; H625-K628 PolarHBondContact O-N 2.88Å; H625-Q629 PolarHBondContact O-N 3.37Å; H625-Q629 VanDerWaalsContact O-N 3.17Å
626V94.4Very high94.6Very high2 Ų252.7 Ų52.71%0.01227%0.266CS..Hα-helixtrans-68.9-39.1179.1178.30000111.7M450 V522 K525 L532 K622 V623 H624 K628 Q629 L630M450-V626 HydrophobicContact CE-CB 3.91Å; M450-V626 HydrophobicContact CE-CG1 3.73Å; V522-V626 HydrophobicContact CG1-CG1 4.1Å; K525-V626 HydrophobicContact CD-CG1 4.49Å; K525-V626 HydrophobicContact CD-CG2 3.44Å; K525-V626 VanDerWaalsContact CD-CG2 3.44Å; L532-V626 HydrophobicContact CD1-CB 3.82Å; L532-V626 HydrophobicContact CD1-CG1 3.7Å; L532-V626 HydrophobicContact CD1-CG2 3.83Å; L532-V626 HydrophobicContact CD2-CG2 4.45Å; L532-V626 HydrophobicContact CG-CG2 4.21Å; K622-V626 WeakPolarHBondContact O-CG2 3.44Å; K622-V626 PolarHBondContact O-N 3.05Å; V623-V626 PolarHBondContact O-N 2.95Å; H624-V626 PolarHBondContact O-N 3.49Å; V626-K628 VanDerWaalsContact C-N 3.28Å; V626-K628 PolarHBondContact O-N 3.46Å; V626-Q629 WeakPolarHBondContact O-CB 3.47Å; V626-Q629 PolarHBondContact O-N 3.11Å; V626-Q629 VanDerWaalsContact O-N 3.08Å; V626-L630 HydrophobicContact CG1-CD1 4.41Å; V626-L630 HydrophobicContact CG1-CG 4.46Å; V626-L630 WeakPolarHBondContact O-CG 3.42Å; V626-L630 PolarHBondContact O-N 3.11Å
627R93.8Very high94.6Very high32 Ų3252.6 Ų52.612%0.12127%0.265CS..Hα-helixtrans-58-41.3173.2-78.5-177.2160.4-153.2-21.2111.9E351 M450 V623 H624 Q629 L630 L631E351-R627 IonicContact OE2-CZ 2.71Å; E351-R627 IonicContact OE2-NH1 3.3Å; E351-R627 PolarHBondContact OE2-NH1 2.91Å; E351-R627 IonicContact OE2-NH2 2.65Å; E351-R627 PolarHBondContact OE2-NH2 2.9Å; M450-R627 HydrophobicContact CE-CG 3.76Å; M450-R627 HydrophobicContact CG-CG 4.4Å; M450-R627 HydrophobicContact SD-CG 4.04Å; V623-R627 HydrophobicContact CG1-CG 4.33Å; V623-R627 WeakPolarHBondContact O-CG 3.46Å; V623-R627 PolarHBondContact O-N 3.02Å; H624-R627 PolarHBondContact O-N 2.93Å; R627-Q629 VanDerWaalsContact C-N 3.32Å; R627-Q629 PolarHBondContact O-N 3.32Å; R627-L630 PolarHBondContact O-N 2.76Å; R627-L631 WeakPolarHBondContact O-CB 3.47Å; R627-L631 PolarHBondContact O-N 3.41Å
628K93Very high94.5Very high149 Ų14953.5 Ų53.565%0.64827%0.271SS*.Hα-helixtrans-62.4-38.2175-171.6174.6-178.21730112.3H624 H625 V626 G632H624-K628 PolarHBondContact O-N 3.12Å; H625-K628 WeakPolarHBondContact O-CB 3.46Å; H625-K628 PolarHBondContact O-N 2.88Å; V626-K628 VanDerWaalsContact C-N 3.28Å; V626-K628 PolarHBondContact O-N 3.46Å; K628-G632 PolarHBondContact O-N 3.3Å
629Q94.1Very high94.5Very high45 Ų4552.1 Ų52.121%0.2127%0.273CS..Hα-helixtrans-66.2-45.1174.4-67.2-178.6-38.800112.1V522 H625 V626 R627 L631 G632 L633V522-Q629 HydrophobicContact CG2-CB 4.31Å; H625-Q629 PolarHBondContact O-N 3.37Å; H625-Q629 VanDerWaalsContact O-N 3.17Å; V626-Q629 WeakPolarHBondContact O-CB 3.47Å; V626-Q629 PolarHBondContact O-N 3.11Å; V626-Q629 VanDerWaalsContact O-N 3.08Å; R627-Q629 VanDerWaalsContact C-N 3.32Å; R627-Q629 PolarHBondContact O-N 3.32Å; Q629-L631 VanDerWaalsContact C-N 3.35Å; Q629-L631 PolarHBondContact O-N 3.36Å; Q629-G632 PolarHBondContact O-N 3.27Å; Q629-L633 WeakPolarHBondContact O-CG 3.49Å; Q629-L633 PolarHBondContact O-N 3.1Å
630L94.6Very high94.4Very high7 Ų752.3 Ų52.34%0.03728%0.275CS..Hα-helixtrans-58.7-45.6175.9-71173.3000111.5M450 Y454 I457 V522 V626 R627 G632 L633 S634M450-L630 HydrophobicContact CE-CD1 4.26Å; Y454-L630 HydrophobicContact CD2-CD2 3.91Å; I457-L630 HydrophobicContact CD1-CB 3.78Å; I457-L630 HydrophobicContact CD1-CD2 3.76Å; I457-L630 HydrophobicContact CD1-CG 4.36Å; I457-L630 VanDerWaalsContact CD1-O 3.27Å; I457-L630 WeakPolarHBondContact CD1-O 3.4Å; V522-L630 HydrophobicContact CG1-CD2 3.74Å; V522-L630 HydrophobicContact CG1-CG 4.36Å; V626-L630 HydrophobicContact CG1-CD1 4.41Å; V626-L630 HydrophobicContact CG1-CG 4.46Å; V626-L630 WeakPolarHBondContact O-CG 3.42Å; V626-L630 PolarHBondContact O-N 3.11Å; R627-L630 PolarHBondContact O-N 2.76Å; L630-G632 VanDerWaalsContact C-N 3.34Å; L630-G632 PolarHBondContact O-N 3.49Å; L630-L633 PolarHBondContact O-N 2.68Å; L630-S634 PolarHBondContact O-N 3.23Å
631L93.5Very high94.3Very high126 Ų12653.8 Ų53.866%0.6628%0.282SS*.Hα-helixtrans-62.9-41.3176.8-172.167.6000111.8R627 Q629 S634 G635R627-L631 WeakPolarHBondContact O-CB 3.47Å; R627-L631 PolarHBondContact O-N 3.41Å; Q629-L631 VanDerWaalsContact C-N 3.35Å; Q629-L631 PolarHBondContact O-N 3.36Å; L631-S634 PolarHBondContact O-N 2.89Å; L631-G635 PolarHBondContact O-N 2.82Å
632G94.5Very high94.4Very high37 Ų3754.9 Ų54.938%0.38129%0.29SS..Hα-helixtrans-60.8-44.5174.600000112.9K628 Q629 L630 G635 Q636K628-G632 PolarHBondContact O-N 3.3Å; Q629-G632 PolarHBondContact O-N 3.27Å; L630-G632 VanDerWaalsContact C-N 3.34Å; L630-G632 PolarHBondContact O-N 3.49Å; G632-G635 PolarHBondContact O-N 3.26Å; G632-Q636 WeakPolarHBondContact O-CG 2.95Å; G632-Q636 PolarHBondContact O-N 3.48Å
633L95.3Very high94.3Very high2 Ų255.9 Ų55.91%0.0130%0.296CS..Hα-helixtrans-60.9-47175.3-75.8173.2000111.8I457 I515 T518 V522 Q629 L630 G635 Q636 L637I457-L633 HydrophobicContact CG2-CB 4.17Å; I515-L633 HydrophobicContact CG2-CD2 3.98Å; T518-L633 HydrophobicContact CG2-CD1 4.05Å; T518-L633 HydrophobicContact CG2-CD2 3.87Å; T518-L633 HydrophobicContact CG2-CG 4.06Å; V522-L633 HydrophobicContact CG2-CD1 4.44Å; Q629-L633 WeakPolarHBondContact O-CG 3.49Å; Q629-L633 PolarHBondContact O-N 3.1Å; L630-L633 PolarHBondContact O-N 2.68Å; L633-G635 VanDerWaalsContact C-N 3.34Å; L633-G635 PolarHBondContact O-N 2.95Å; L633-Q636 PolarHBondContact O-N 3.14Å; L633-L637 WeakPolarHBondContact O-CG 3.32Å; L633-L637 PolarHBondContact O-N 3.23Å
634S95.3Very high94.2Very high39 Ų3956 Ų5627%0.27330%0.296SS..Hα-helixtrans-58.4-46.8177-176.90000111.4L630 L631 Q636 L637 I638L630-S634 PolarHBondContact O-N 3.23Å; L631-S634 PolarHBondContact O-N 2.89Å; S634-Q636 PolarHBondContact O-N 3.11Å; S634-L637 PolarHBondContact O-N 3.21Å; S634-I638 VanDerWaalsContact O-CG1 3.3Å; S634-I638 WeakPolarHBondContact O-CG1 3.42Å; S634-I638 PolarHBondContact O-N 3.4Å
635G94.9Very high94.2Very high44 Ų4457.2 Ų57.245%0.45431%0.308SS..Hα-helixtrans-61.4-41.2176.300000113.7L631 G632 L633 G639L631-G635 PolarHBondContact O-N 2.82Å; G632-G635 PolarHBondContact O-N 3.26Å; L633-G635 VanDerWaalsContact C-N 3.34Å; L633-G635 PolarHBondContact O-N 2.95Å; G635-G639 PolarHBondContact O-N 2.89Å
636Q95.1Very high94.2Very high105 Ų10556.7 Ų56.749%0.49131%0.312SS..Hα-helixtrans-62.7-45.7175.2-74.8173.9-18.500111.8I515 G632 L633 S634 G639 V640I515-Q636 HydrophobicContact CD1-CB 4.15Å; G632-Q636 WeakPolarHBondContact O-CG 2.95Å; G632-Q636 PolarHBondContact O-N 3.48Å; L633-Q636 PolarHBondContact O-N 3.14Å; S634-Q636 PolarHBondContact O-N 3.11Å; Q636-G639 PolarHBondContact O-N 3.41Å; Q636-V640 WeakPolarHBondContact O-CG2 3.49Å; Q636-V640 PolarHBondContact O-N 2.92Å
637L95.3Very high93.9Very high0 Ų057.1 Ų57.10%031%0.314CS..Hα-helixtrans-63-44.1179.3-72.8171000112.2I457 K460 K461 V464 I515 L633 S634 G639 V640 E641I457-L637 HydrophobicContact CG2-CD1 3.95Å; K460-L637 HydrophobicContact CB-CD1 4.41Å; K460-L637 HydrophobicContact CG-CB 4.36Å; K461-L637 HydrophobicContact CB-CD1 3.95Å; K461-L637 HydrophobicContact CB-CD2 4.14Å; K461-L637 HydrophobicContact CG-CD2 4.18Å; V464-L637 HydrophobicContact CB-CD2 4.22Å; V464-L637 HydrophobicContact CG1-CD2 4.36Å; V464-L637 HydrophobicContact CG2-CD2 4.43Å; I515-L637 HydrophobicContact CD1-CD2 4.32Å; I515-L637 HydrophobicContact CG2-CD2 4.03Å; I515-L637 HydrophobicContact CG2-CG 4.41Å; L633-L637 WeakPolarHBondContact O-CG 3.32Å; L633-L637 PolarHBondContact O-N 3.23Å; S634-L637 PolarHBondContact O-N 3.21Å; L637-G639 VanDerWaalsContact C-N 3.31Å; L637-G639 PolarHBondContact O-N 3.19Å; L637-V640 PolarHBondContact O-N 2.73Å; L637-E641 WeakPolarHBondContact O-CB 3.28Å; L637-E641 PolarHBondContact O-N 3.33Å
638I94.6Very high93.7Very high91 Ų9158 Ų5847%0.46732%0.32SS..Hα-helixtrans-62.2-40.4175.6-67.1165.4000110.8S634 K642S634-I638 VanDerWaalsContact O-CG1 3.3Å; S634-I638 WeakPolarHBondContact O-CG1 3.42Å; S634-I638 PolarHBondContact O-N 3.4Å; I638-K642 WeakPolarHBondContact O-CB 3.33Å; I638-K642 PolarHBondContact O-N 3.44Å; I638-K642 VanDerWaalsContact O-N 3.11Å
639G94Very high93.5Very high31 Ų3154.7 Ų54.732%0.3231%0.31SS..Hα-helixtrans-60.9-50.2175.400000112.2G635 Q636 L637 K642 E643G635-G639 PolarHBondContact O-N 2.89Å; Q636-G639 PolarHBondContact O-N 3.41Å; L637-G639 VanDerWaalsContact C-N 3.31Å; L637-G639 PolarHBondContact O-N 3.19Å; G639-K642 PolarHBondContact O-N 2.82Å; G639-E643 PolarHBondContact O-N 3.14Å; G639-E643 VanDerWaalsContact O-N 3.08Å
640V93.9Very high93.1Very high13 Ų1358.1 Ų58.18%0.07932%0.321CS..Hα-helixtrans-62.3-45.5178.5173.30000111.3V464 I508 L512 Q636 L637 K642 E643 V644V464-V640 HydrophobicContact CG1-CB 4.01Å; V464-V640 HydrophobicContact CG1-CG1 3.5Å; V464-V640 VanDerWaalsContact CG1-CG1 3.5Å; I508-V640 HydrophobicContact CG2-CG1 3.62Å; L512-V640 HydrophobicContact CD2-CG1 4.08Å; Q636-V640 WeakPolarHBondContact O-CG2 3.49Å; Q636-V640 PolarHBondContact O-N 2.92Å; L637-V640 PolarHBondContact O-N 2.73Å; V640-K642 VanDerWaalsContact C-N 3.28Å; V640-K642 PolarHBondContact O-N 3.24Å; V640-E643 PolarHBondContact O-N 3.25Å; V640-V644 HydrophobicContact CG1-CG2 3.93Å; V640-V644 WeakPolarHBondContact O-CB 3.36Å; V640-V644 WeakPolarHBondContact O-CG2 3.18Å; V640-V644 PolarHBondContact O-N 3.03Å
641E94.8Very high92.5Very high44 Ų4458 Ų5821%0.20632%0.32CS..Hα-helixtrans-53.3-47.9176.4-176.4-178.3-162.900111.6K460 V464 L467 L637 V644 T645K460-E641 VanDerWaalsContact CE-CD 3.47Å; K460-E641 WeakPolarHBondContact CE-OE2 3.41Å; K460-E641 IonicContact NZ-OE1 2.98Å; K460-E641 PolarHBondContact NZ-OE1 3.09Å; K460-E641 IonicContact NZ-OE2 3.48Å; K460-E641 PolarHBondContact NZ-OE2 3.35Å; V464-E641 HydrophobicContact CG2-CB 3.86Å; V464-E641 HydrophobicContact CG2-CG 4.39Å; L467-E641 HydrophobicContact CD1-CG 4.32Å; L637-E641 WeakPolarHBondContact O-CB 3.28Å; L637-E641 PolarHBondContact O-N 3.33Å; E641-V644 PolarHBondContact O-N 3.41Å; E641-T645 VanDerWaalsContact O-CB 3.31Å; E641-T645 WeakPolarHBondContact O-CB 3.26Å; E641-T645 PolarHBondContact O-N 3.38Å; E641-T645 PolarHBondContact O-OG1 3.02Å
642K94.3Very high92.1Very high154 Ų15454.2 Ų54.267%0.6730%0.302SS*.Hα-helixtrans-62.8-44.9179.8-171.8178.3-179.2179.90111.6I638 G639 V640 V646I638-K642 WeakPolarHBondContact O-CB 3.33Å; I638-K642 PolarHBondContact O-N 3.44Å; I638-K642 VanDerWaalsContact O-N 3.11Å; G639-K642 PolarHBondContact O-N 2.82Å; V640-K642 VanDerWaalsContact C-N 3.28Å; V640-K642 PolarHBondContact O-N 3.24Å; K642-V646 WeakPolarHBondContact O-CG2 3.38Å; K642-V646 PolarHBondContact O-N 3.48Å
643E93.7Very high91.5Very high98 Ų9857.3 Ų57.346%0.45831%0.306SS..Hα-helixtrans-63.2-44.2178.2-73.1-171.2-148.600112.4I508 G639 V640 V646 L647I508-E643 HydrophobicContact CD1-CB 4.03Å; G639-E643 PolarHBondContact O-N 3.14Å; G639-E643 VanDerWaalsContact O-N 3.08Å; V640-E643 PolarHBondContact O-N 3.25Å; E643-V646 PolarHBondContact O-N 2.84Å; E643-L647 PolarHBondContact O-N 3.01Å
644V93.1Very high90.6Very high5 Ų558.1 Ų58.13%0.0331%0.31CS..Hα-helixtrans-68.2-39.9-179.1174.90000110.9L467 C468 C471 I508 V640 E641 V646 L647 L648L467-V644 HydrophobicContact CB-CG1 4.16Å; C468-V644 WeakPolarHBondContact SG-CG2 3.48Å; C471-V644 HydrophobicContact CB-CG1 3.87Å; I508-V644 HydrophobicContact CD1-CG2 4.45Å; I508-V644 HydrophobicContact CG2-CG2 3.74Å; V640-V644 HydrophobicContact CG1-CG2 3.93Å; V640-V644 WeakPolarHBondContact O-CB 3.36Å; V640-V644 WeakPolarHBondContact O-CG2 3.18Å; V640-V644 PolarHBondContact O-N 3.03Å; E641-V644 PolarHBondContact O-N 3.41Å; V644-V646 VanDerWaalsContact C-N 3.33Å; V644-V646 PolarHBondContact O-N 3.09Å; V644-L647 PolarHBondContact O-N 3.31Å; V644-L648 WeakPolarHBondContact O-CB 3.47Å; V644-L648 PolarHBondContact O-N 2.97Å
645T92.4Very high89.3Confident74 Ų7459.3 Ų59.345%0.45431%0.311SS..Hα-helixtrans-61.8-42.4177.1-57.30000111.3E641 L648 D649E641-T645 VanDerWaalsContact O-CB 3.31Å; E641-T645 WeakPolarHBondContact O-CB 3.26Å; E641-T645 PolarHBondContact O-N 3.38Å; E641-T645 PolarHBondContact O-OG1 3.02Å; T645-L648 PolarHBondContact O-N 3.38Å; T645-D649 PolarHBondContact O-N 2.77Å
646V93.1Very high88.3Confident93 Ų9360.8 Ų60.856%0.56431%0.306SS*.Hα-helixtrans-64.6-41175.8171.50000111.5K642 E643 V644 R650K642-V646 WeakPolarHBondContact O-CG2 3.38Å; K642-V646 PolarHBondContact O-N 3.48Å; E643-V646 PolarHBondContact O-N 2.84Å; V644-V646 VanDerWaalsContact C-N 3.33Å; V644-V646 PolarHBondContact O-N 3.09Å; V646-R650 PolarHBondContact O-N 3.06Å; V646-R650 VanDerWaalsContact O-N 3.09Å
647L89.6Confident87Confident11 Ų1160.1 Ų60.16%0.05830%0.303CS..Hα-helixtrans-63.4-43.4175.4-77173.7000111.9M501 K504 A505 I508 E643 V644 R650 A651M501-L647 HydrophobicContact CB-CD2 4.34Å; M501-L647 HydrophobicContact CE-CD2 4.14Å; M501-L647 WeakPolarHBondContact CE-O 3.47Å; M501-L647 HydrophobicContact CG-CD2 4.16Å; K504-L647 HydrophobicContact CD-CD1 4.47Å; K504-L647 HydrophobicContact CD-CD2 4.25Å; K504-L647 HydrophobicContact CG-CD1 4.24Å; A505-L647 HydrophobicContact CB-CD1 4.42Å; I508-L647 HydrophobicContact CD1-CD1 3.53Å; E643-L647 PolarHBondContact O-N 3.01Å; V644-L647 PolarHBondContact O-N 3.31Å; L647-R650 PolarHBondContact O-N 2.74Å; L647-A651 WeakPolarHBondContact O-CB 3.38Å; L647-A651 PolarHBondContact O-N 3.12Å
648L88.1Confident85.5Confident49 Ų4961.5 Ų61.526%0.25731%0.309SS..Hα-helixtrans-63-46.9179.5-154.590.6000111.3I470 C471 V644 T645 R650 A651 V652I470-L648 HydrophobicContact CG2-CD1 4.34Å; C471-L648 VanDerWaalsContact CA-CD1 3.47Å; C471-L648 HydrophobicContact CB-CD1 3.56Å; V644-L648 WeakPolarHBondContact O-CB 3.47Å; V644-L648 PolarHBondContact O-N 2.97Å; T645-L648 PolarHBondContact O-N 3.38Å; L648-R650 VanDerWaalsContact C-N 3.34Å; L648-R650 PolarHBondContact O-N 2.89Å; L648-A651 WeakPolarHBondContact O-CB 3.2Å; L648-A651 PolarHBondContact O-N 3.44Å; L648-A651 VanDerWaalsContact O-N 3.14Å; L648-V652 WeakPolarHBondContact O-CG2 3.35Å; L648-V652 PolarHBondContact O-N 3.28Å
649D88.7Confident83.7Confident80 Ų8061.2 Ų61.243%0.42831%0.313SS..Hα-helixtrans-60.6-42.5177.7178.356.5000111.7T645 A651 K653T645-D649 PolarHBondContact O-N 2.77Å; D649-A651 VanDerWaalsContact C-N 3.34Å; D649-A651 PolarHBondContact O-N 3.38Å; D649-K653 WeakPolarHBondContact O-CB 3.35Å; D649-K653 WeakPolarHBondContact O-CG 3.44Å; D649-K653 PolarHBondContact O-N 2.86Å; D649-K653 WeakPolarHBondContact OD1-CE 3.49Å; D649-K653 IonicContact OD1-NZ 2.65Å; D649-K653 PolarHBondContact OD1-NZ 2.92Å; D649-K653 WeakPolarHBondContact OD2-CE 3.35Å; D649-K653 IonicContact OD2-NZ 3.44Å; D649-K653 PolarHBondContact OD2-NZ 3.16Å
650R86.5Confident81.6Confident118 Ų11867.3 Ų67.345%0.44533%0.333SS..Hα-helixtrans-65.2-38.5174.9-171.9174.5178.7-166.9-6.6111.8D497 M501 V646 L647 L648 K653 L654D497-R650 IonicContact OD1-NH2 2.67Å; D497-R650 PolarHBondContact OD1-NH2 3.4Å; D497-R650 VanDerWaalsContact OD1-NH2 3.1Å; D497-R650 IonicContact OD2-NH2 3.82Å; M501-R650 HydrophobicContact CE-CB 3.67Å; M501-R650 HydrophobicContact CE-CG 3.83Å; M501-R650 HydrophobicContact SD-CB 4.28Å; M501-R650 HydrophobicContact SD-CG 3.73Å; V646-R650 PolarHBondContact O-N 3.06Å; V646-R650 VanDerWaalsContact O-N 3.09Å; L647-R650 PolarHBondContact O-N 2.74Å; L648-R650 VanDerWaalsContact C-N 3.34Å; L648-R650 PolarHBondContact O-N 2.89Å; R650-K653 PolarHBondContact O-N 3.41Å; R650-L654 HydrophobicContact CG-CD1 4.29Å; R650-L654 WeakPolarHBondContact O-CG 3.46Å; R650-L654 PolarHBondContact O-N 3Å
651A82.9Confident79.4Confident3 Ų372.4 Ų72.43%0.02535%0.354CS..Hα-helixtrans-66.7-43.4-179.400000110.8L475 M501 L647 L648 D649 L654 Q655L475-A651 HydrophobicContact CD2-CB 3.74Å; L475-A651 HydrophobicContact CG-CB 4.31Å; M501-A651 HydrophobicContact CE-CB 3.87Å; L647-A651 WeakPolarHBondContact O-CB 3.38Å; L647-A651 PolarHBondContact O-N 3.12Å; L648-A651 WeakPolarHBondContact O-CB 3.2Å; L648-A651 PolarHBondContact O-N 3.44Å; L648-A651 VanDerWaalsContact O-N 3.14Å; D649-A651 VanDerWaalsContact C-N 3.34Å; D649-A651 PolarHBondContact O-N 3.38Å; A651-L654 PolarHBondContact O-N 3.02Å; A651-Q655 WeakPolarHBondContact O-CB 2.99Å; A651-Q655 WeakPolarHBondContact O-CG 3.27Å; A651-Q655 PolarHBondContact O-N 3.29Å
652V83.7Confident77.2Confident47 Ų4773.9 Ų73.929%0.28537%0.366SS..Hα-helixtrans-62.3-47.4175.2172.70000110.6L648 L654 Q655 E656L648-V652 WeakPolarHBondContact O-CG2 3.35Å; L648-V652 PolarHBondContact O-N 3.28Å; V652-L654 VanDerWaalsContact C-N 3.32Å; V652-L654 PolarHBondContact O-N 3.38Å; V652-Q655 WeakPolarHBondContact O-CA 3.44Å; V652-Q655 WeakPolarHBondContact O-CB 3.45Å; V652-Q655 PolarHBondContact O-N 2.91Å; V652-Q655 VanDerWaalsContact O-N 3.08Å; V652-E656 HydrophobicContact CG1-CG 4.46Å; V652-E656 WeakPolarHBondContact O-CG 3.45Å; V652-E656 PolarHBondContact O-N 3.43Å
653K82.6Confident74.8Confident103 Ų10373 Ų7345%0.44837%0.368SS..Hα-helixtrans-59.1-40.5177.8-77.5170.6179.6163.50113.3D649 R650 Q657D649-K653 WeakPolarHBondContact O-CB 3.35Å; D649-K653 WeakPolarHBondContact O-CG 3.44Å; D649-K653 PolarHBondContact O-N 2.86Å; D649-K653 WeakPolarHBondContact OD1-CE 3.49Å; D649-K653 IonicContact OD1-NZ 2.65Å; D649-K653 PolarHBondContact OD1-NZ 2.92Å; D649-K653 WeakPolarHBondContact OD2-CE 3.35Å; D649-K653 IonicContact OD2-NZ 3.44Å; D649-K653 PolarHBondContact OD2-NZ 3.16Å; R650-K653 PolarHBondContact O-N 3.41Å; K653-Q657 VanDerWaalsContact O-CG 3.29Å; K653-Q657 WeakPolarHBondContact O-CG 3.24Å; K653-Q657 PolarHBondContact O-N 3.19Å
654L75.7Confident72.2Confident19 Ų1975 Ų7510%0.09939%0.386CS..Hα-helixtrans-66.8-42.6174.5-74.8168.3000110.8I498 M501 R650 A651 V652 E656 Q657 F658I498-L654 HydrophobicContact CD1-CB 4.48Å; I498-L654 HydrophobicContact CG1-CD1 4.13Å; M501-L654 HydrophobicContact SD-CD1 3.82Å; R650-L654 HydrophobicContact CG-CD1 4.29Å; R650-L654 WeakPolarHBondContact O-CG 3.46Å; R650-L654 PolarHBondContact O-N 3Å; A651-L654 PolarHBondContact O-N 3.02Å; V652-L654 VanDerWaalsContact C-N 3.32Å; V652-L654 PolarHBondContact O-N 3.38Å; L654-E656 VanDerWaalsContact C-N 3.32Å; L654-E656 PolarHBondContact O-N 3.16Å; L654-Q657 PolarHBondContact O-N 3.41Å; L654-Q657 VanDerWaalsContact O-N 3.09Å; L654-F658 HydrophobicContact CB-CE2 4.26Å; L654-F658 WeakPolarHBondContact O-CD2 3.44Å; L654-F658 VanDerWaalsContact O-CE2 3.27Å; L654-F658 WeakPolarHBondContact O-CE2 3.46Å; L654-F658 PolarHBondContact O-N 3.05Å
655Q69.1Low70.2Confident64 Ų6479.8 Ų79.830%0.29942%0.418SS..Hα-helixtrans-58-39.9175.3-80-177.5-6.600113.4A651 V652 Q657 P659A651-Q655 WeakPolarHBondContact O-CB 2.99Å; A651-Q655 WeakPolarHBondContact O-CG 3.27Å; A651-Q655 PolarHBondContact O-N 3.29Å; V652-Q655 WeakPolarHBondContact O-CA 3.44Å; V652-Q655 WeakPolarHBondContact O-CB 3.45Å; V652-Q655 PolarHBondContact O-N 2.91Å; V652-Q655 VanDerWaalsContact O-N 3.08Å; Q655-Q657 VanDerWaalsContact C-N 3.3Å; Q655-Q657 PolarHBondContact O-N 3.44Å; Q655-P659 VanDerWaalsContact O-CD 3.24Å; Q655-P659 WeakPolarHBondContact O-CD 3.34Å
656E73.9Confident67.2Low75 Ų7583.7 Ų83.735%0.3544%0.436SS..Hα-helixtrans-71.1-22.3176.9-67.9-166.1119.200114V652 L654 P659 N677V652-E656 HydrophobicContact CG1-CG 4.46Å; V652-E656 WeakPolarHBondContact O-CG 3.45Å; V652-E656 PolarHBondContact O-N 3.43Å; L654-E656 VanDerWaalsContact C-N 3.32Å; L654-E656 PolarHBondContact O-N 3.16Å; E656-P659 WeakPolarHBondContact O-CD 3.45Å; E656-N677 PolarHBondContact OE1-ND2 2.78Å; E656-N677 PolarHBondContact OE1-OD1 2.84Å; E656-N677 PolarHBondContact OE2-ND2 3.27Å
657Q66.9Low64.5Low91 Ų9185.1 Ų85.143%0.42544%0.444SS..Hα-helixtrans-82.9-25.4178.7-72174.923.400113K653 L654 Q655 Q660 K661K653-Q657 VanDerWaalsContact O-CG 3.29Å; K653-Q657 WeakPolarHBondContact O-CG 3.24Å; K653-Q657 PolarHBondContact O-N 3.19Å; L654-Q657 PolarHBondContact O-N 3.41Å; L654-Q657 VanDerWaalsContact O-N 3.09Å; Q655-Q657 VanDerWaalsContact C-N 3.3Å; Q655-Q657 PolarHBondContact O-N 3.44Å; Q657-Q660 PolarHBondContact O-N 3.2Å; Q657-K661 PolarHBondContact O-N 3.2Å
658F65.1Low61.6Low29 Ų2993.7 Ų93.713%0.12749%0.487CS..Hα-helixtrans-59.9-43.2-179.8-68.9-61.5000114.5L482 L491 E494 I498 L654 Q660 K661 V662L482-F658 HydrophobicContact CD1-CE1 4.13Å; L482-F658 HydrophobicContact CD1-CE2 4.33Å; L482-F658 HydrophobicContact CD1-CZ 3.66Å; L482-F658 HydrophobicContact CD2-CD1 4.21Å; L482-F658 HydrophobicContact CD2-CE1 3.59Å; L482-F658 HydrophobicContact CD2-CZ 4.01Å; L482-F658 HydrophobicContact CG-CE1 4.27Å; L482-F658 HydrophobicContact CG-CZ 4.19Å; L491-F658 HydrophobicContact CD1-CD1 4.13Å; L491-F658 HydrophobicContact CD1-CE1 4.45Å; E494-F658 HydrophobicContact CB-CE1 3.72Å; E494-F658 HydrophobicContact CB-CZ 4.04Å; E494-F658 HydrophobicContact CG-CE1 4.23Å; E494-F658 WeakPolarHBondContact OE2-CE1 3.46Å; I498-F658 HydrophobicContact CD1-CE2 3.71Å; I498-F658 HydrophobicContact CD1-CZ 3.76Å; L654-F658 HydrophobicContact CB-CE2 4.26Å; L654-F658 WeakPolarHBondContact O-CD2 3.44Å; L654-F658 VanDerWaalsContact O-CE2 3.27Å; L654-F658 WeakPolarHBondContact O-CE2 3.46Å; L654-F658 PolarHBondContact O-N 3.05Å; F658-Q660 PolarHBondContact O-N 3.45Å; F658-K661 PolarHBondContact O-N 2.86Å; F658-V662 WeakPolarHBondContact O-CG2 3.2Å
659P56Low58.8Low84 Ų84101.1 Ų101.155%0.54552%0.517SS..Hα-helixtrans-63.9-25.1177.6-21.532000114Q655 E656Q655-P659 VanDerWaalsContact O-CD 3.24Å; Q655-P659 WeakPolarHBondContact O-CD 3.34Å; E656-P659 WeakPolarHBondContact O-CD 3.45Å
660Q50.5Low56.2Low159 Ų159102.2 Ų102.274%0.74354%0.537SS*.Hα-helixtrans-83.8-23.1-176.3-67.1-171.8-3.200113.6Q657 F658Q657-Q660 PolarHBondContact O-N 3.2Å; F658-Q660 PolarHBondContact O-N 3.45Å
661K48Very low53.7Low121 Ų121103.8 Ų103.853%0.52655%0.549SS..Hα-helixtrans-94.6-19.4-178.6-70.5-174.2-175.81760114.6E494 Q657 F658E494-K661 WeakPolarHBondContact OE1-CD 3.34Å; E494-K661 IonicContact OE1-NZ 3.74Å; E494-K661 PolarHBondContact OE1-NZ 3.34Å; Q657-K661 PolarHBondContact O-N 3.2Å; F658-K661 PolarHBondContact O-N 2.86Å
662V48.6Very low51.4Low74 Ų74110.1 Ų110.145%0.44859%0.59SS.*SBendtrans-86.3-5.3-178.1179.50000112.8L491 F658L491-V662 HydrophobicContact CD1-CG2 4.32Å; F658-V662 WeakPolarHBondContact O-CG2 3.2Å
663L42.6Very low49.2Very low135 Ų135117.6 Ų117.671%0.70761%0.614SS**  trans-128118.7-175.7-90.1125.3000114.3
664V38.3Very low47.2Very low140 Ų140118.4 Ų118.485%0.84862%0.623SS**  trans-150.9149.2151.8-150.20000109.6
665P51.4Low45.7Very low106 Ų106120 Ų12069%0.68864%0.636SS**  -122.1139.1-59.437.4-22.6000111.9
666N29.4Very low44.7Very low157 Ų157121.5 Ų121.584%0.8465%0.651SS**  trans-165.6105.4140.5-110.9-17.5000113.4
667V36.7Very low43.5Very low122 Ų122120.6 Ų120.674%0.73965%0.649SS**  trans34.8109.4148.1-1670000118.5
668M28.2Very low42.5Very low192 Ų192118.6 Ų118.695%0.94664%0.643SS**  -153148.3116-94.5-154.5155.400111.3
669K29.4Very low41.7Very low205 Ų205122.2 Ų122.289%0.89166%0.663SS**  trans-58147.5-161.8-74.6168.3170.2174.10114.9
670A34.4Very low41.8Very low102 Ų102122.3 Ų122.384%0.84366%0.662SS**  trans-56.8135.6171.500000113.7
671Q33.5Very low42.1Very low151 Ų151121.5 Ų121.571%0.70666%0.658SS**  trans-125.5142.7147.6-87-176.1-30.700107.8Y673Q671-Y673 HydrophobicContact CB-CE2 4.45Å; Q671-Y673 PolarHBondContact O-N 3.38Å; Q671-Y673 VanDerWaalsContact O-N 3.09Å
672P34.5Very low42.1Very low136 Ų136120.8 Ų120.888%0.88366%0.658SS**  trans-77.3102.1-170.530.7-31.2000110.4
673Y38.1Very low42.6Very low204 Ų204121.1 Ų121.180%0.866%0.66SS**PPolyproline II helixtrans-98.5129.2163.4-76-85.4000108.6Q671Q671-Y673 HydrophobicContact CB-CE2 4.45Å; Q671-Y673 PolarHBondContact O-N 3.38Å; Q671-Y673 VanDerWaalsContact O-N 3.09Å
674L41.4Very low43.4Very low120 Ų120120.7 Ų120.763%0.62866%0.658SS**PPolyproline II helixtrans-56.4143.8176.5-84.1114000110.9T678L674-T678 HydrophobicContact CD2-CG2 3.68Å
675S43.4Very low44.8Very low54 Ų54115.9 Ų115.938%0.37864%0.637SS.*PPolyproline II helixtrans-63.2148.7-176.878.90000111.6N677 T678 L679S675-N677 PolarHBondContact O-N 2.98Å; S675-T678 PolarHBondContact O-N 3.2Å; S675-T678 PolarHBondContact OG-N 3.18Å; S675-T678 PolarHBondContact OG-OG1 3.1Å; S675-L679 PolarHBondContact O-N 2.98Å
676P47.9Very low45.3Very low95 Ų95117.1 Ų117.162%0.61764%0.635SS**Hα-helixtrans-56.6-35.1177.3-24.734.1000113L679 V680P676-L679 PolarHBondContact O-N 2.81Å; P676-V680 WeakPolarHBondContact O-CB 3.5Å; P676-V680 VanDerWaalsContact O-CG2 3.31Å; P676-V680 WeakPolarHBondContact O-CG2 3.46Å; P676-V680 PolarHBondContact O-N 2.68Å
677N48.4Very low47.1Very low55 Ų55115.4 Ų115.429%0.29462%0.62SS.*Hα-helixtrans-63.4-40.3173.1-84.6-3.8000112.5E656 S675 L679 V680 E681E656-N677 PolarHBondContact OE1-ND2 2.78Å; E656-N677 PolarHBondContact OE1-OD1 2.84Å; E656-N677 PolarHBondContact OE2-ND2 3.27Å; S675-N677 PolarHBondContact O-N 2.98Å; N677-L679 VanDerWaalsContact C-N 3.32Å; N677-L679 PolarHBondContact O-N 3.33Å; N677-V680 PolarHBondContact O-N 3.22Å; N677-E681 VanDerWaalsContact O-CB 3.27Å; N677-E681 WeakPolarHBondContact O-CB 3.46Å; N677-E681 WeakPolarHBondContact O-CG 3.37Å; N677-E681 PolarHBondContact O-N 3.4Å
678T46.8Very low48.8Very low49 Ų49115.8 Ų115.830%0.30161%0.612SS.*Hα-helixtrans-68.1-34.5175.6-48.30000111.6L674 S675 M682L674-T678 HydrophobicContact CD2-CG2 3.68Å; S675-T678 PolarHBondContact O-N 3.2Å; S675-T678 PolarHBondContact OG-N 3.18Å; S675-T678 PolarHBondContact OG-OG1 3.1Å; T678-M682 HydrophobicContact CG2-CG 4.3Å; T678-M682 HydrophobicContact CG2-SD 4.03Å; T678-M682 WeakPolarHBondContact O-CB 3.24Å; T678-M682 WeakPolarHBondContact O-CG 3.4Å; T678-M682 PolarHBondContact O-N 2.81Å
679L47.8Very low50.7Low105 Ų105111.2 Ų111.255%0.5559%0.591SS.*Hα-helixtrans-71.8-37.3177.2-126.5140.6000111.9S675 P676 N677 T683S675-L679 PolarHBondContact O-N 2.98Å; P676-L679 PolarHBondContact O-N 2.81Å; N677-L679 VanDerWaalsContact C-N 3.32Å; N677-L679 PolarHBondContact O-N 3.33Å; L679-T683 VanDerWaalsContact O-CB 3.25Å; L679-T683 WeakPolarHBondContact O-CB 3.36Å; L679-T683 PolarHBondContact O-N 2.85Å; L679-T683 PolarHBondContact O-OG1 2.86Å
680V58Low52.8Low87 Ų87107.4 Ų107.453%0.52757%0.574SS.*Hα-helixtrans-72-43.3174.3173.30000111.2P676 N677 T683 L684P676-V680 WeakPolarHBondContact O-CB 3.5Å; P676-V680 VanDerWaalsContact O-CG2 3.31Å; P676-V680 WeakPolarHBondContact O-CG2 3.46Å; P676-V680 PolarHBondContact O-N 2.68Å; N677-V680 PolarHBondContact O-N 3.22Å; V680-T683 CarbonylContact O-C 3.56Å; V680-T683 PolarHBondContact O-N 2.69Å; V680-L684 WeakPolarHBondContact O-CB 3.27Å; V680-L684 PolarHBondContact O-N 3.4Å
681E56.6Low55Low141 Ų141108.1 Ų108.166%0.65956%0.56SS**Hα-helixtrans-64.2-40.1174-77.6-177.616200112N677 T683 L684 G685N677-E681 VanDerWaalsContact O-CB 3.27Å; N677-E681 WeakPolarHBondContact O-CB 3.46Å; N677-E681 WeakPolarHBondContact O-CG 3.37Å; N677-E681 PolarHBondContact O-N 3.4Å; E681-T683 VanDerWaalsContact C-N 3.35Å; E681-L684 PolarHBondContact O-N 3.06Å; E681-G685 WeakPolarHBondContact O-CA 3.37Å; E681-G685 PolarHBondContact O-N 2.93Å
682M49.7Very low57.2Low106 Ų106105.8 Ų105.852%0.52255%0.549SS..Hα-helixtrans-67-36.9172.3-75178.574.400111.3T678 M686T678-M682 HydrophobicContact CG2-CG 4.3Å; T678-M682 HydrophobicContact CG2-SD 4.03Å; T678-M682 WeakPolarHBondContact O-CB 3.24Å; T678-M682 WeakPolarHBondContact O-CG 3.4Å; T678-M682 PolarHBondContact O-N 2.81Å; M682-M686 WeakPolarHBondContact O-CB 3.44Å; M682-M686 WeakPolarHBondContact O-CG 3.19Å; M682-M686 PolarHBondContact O-N 3.03Å
683T58.1Low59Low81 Ų81105 Ų10550%0.49754%0.535SS..Hα-helixtrans-70.4-40.7176.8-56.30000111.3L679 V680 E681 K687L679-T683 VanDerWaalsContact O-CB 3.25Å; L679-T683 WeakPolarHBondContact O-CB 3.36Å; L679-T683 PolarHBondContact O-N 2.85Å; L679-T683 PolarHBondContact O-OG1 2.86Å; V680-T683 CarbonylContact O-C 3.56Å; V680-T683 PolarHBondContact O-N 2.69Å; E681-T683 VanDerWaalsContact C-N 3.35Å; T683-K687 WeakPolarHBondContact O-CB 3.35Å; T683-K687 PolarHBondContact O-N 3.46Å
684L60.4Low61Low127 Ų127100.4 Ų100.467%0.66552%0.521SS*.Hα-helixtrans-66.4-42.4174.4-127.190000110.8V680 E681 K687 K688V680-L684 WeakPolarHBondContact O-CB 3.27Å; V680-L684 PolarHBondContact O-N 3.4Å; E681-L684 PolarHBondContact O-N 3.06Å; L684-K687 PolarHBondContact O-N 2.94Å; L684-K688 VanDerWaalsContact O-CB 3.29Å; L684-K688 WeakPolarHBondContact O-CB 3.5Å; L684-K688 PolarHBondContact O-N 2.82Å
685G67Low62.9Low39 Ų3996.3 Ų96.340%0.40251%0.508SS..Hα-helixtrans-64.8-43.6176.200000112.2E681 K687 K688 L689E681-G685 WeakPolarHBondContact O-CA 3.37Å; E681-G685 PolarHBondContact O-N 2.93Å; G685-K687 VanDerWaalsContact C-N 3.33Å; G685-K687 PolarHBondContact O-N 3.29Å; G685-K688 PolarHBondContact O-N 3.16Å; G685-L689 WeakPolarHBondContact O-CB 3.46Å; G685-L689 PolarHBondContact O-N 2.65Å
686M61.7Low64.5Low131 Ų13197.5 Ų97.565%0.64551%0.513SS*.Hα-helixtrans-68.1-32.4174.6-74.7-178.484.500111.9M682 K690M682-M686 WeakPolarHBondContact O-CB 3.44Å; M682-M686 WeakPolarHBondContact O-CG 3.19Å; M682-M686 PolarHBondContact O-N 3.03Å; M686-K690 WeakPolarHBondContact O-CB 3.3Å; M686-K690 PolarHBondContact O-N 3.22Å
687K67.8Low65.9Low122 Ų12297.3 Ų97.353%0.5351%0.51SS..Hα-helixtrans-74.8-40.2176.4-158.9177.3-175.3-175.60111.9T683 L684 G685 K690 E691T683-K687 WeakPolarHBondContact O-CB 3.35Å; T683-K687 PolarHBondContact O-N 3.46Å; L684-K687 PolarHBondContact O-N 2.94Å; G685-K687 VanDerWaalsContact C-N 3.33Å; G685-K687 PolarHBondContact O-N 3.29Å; K687-K690 WeakPolarHBondContact O-CB 3.3Å; K687-K690 PolarHBondContact O-N 2.81Å; K687-E691 WeakPolarHBondContact O-CG 3.39Å; K687-E691 PolarHBondContact O-N 3.49Å
688K71.8Confident67.4Low130 Ų130101.1 Ų101.157%0.56552%0.524SS*.Hα-helixtrans-63.3-44.8171.3-173.6179.4177.7-173.20111.2L684 G685 K690 E691 E692L684-K688 VanDerWaalsContact O-CB 3.29Å; L684-K688 WeakPolarHBondContact O-CB 3.5Å; L684-K688 PolarHBondContact O-N 2.82Å; G685-K688 PolarHBondContact O-N 3.16Å; K688-K690 VanDerWaalsContact C-N 3.28Å; K688-K690 PolarHBondContact O-N 3.34Å; K688-E691 PolarHBondContact O-N 3.16Å; K688-E692 WeakPolarHBondContact CE-OE1 3.27Å; K688-E692 WeakPolarHBondContact O-CB 3.16Å; K688-E692 WeakPolarHBondContact O-CG 3.16Å; K688-E692 PolarHBondContact O-N 3.41Å
689L68.1Low68.9Low96 Ų96104.9 Ų104.950%0.50354%0.538SS..Hα-helixtrans-62.4-37.5174.6-172.170.5000111.3G685 M693G685-L689 WeakPolarHBondContact O-CB 3.46Å; G685-L689 PolarHBondContact O-N 2.65Å; L689-M693 HydrophobicContact CG-SD 4.33Å; L689-M693 VanDerWaalsContact O-CB 3.27Å; L689-M693 WeakPolarHBondContact O-CB 3.02Å; L689-M693 VanDerWaalsContact O-CG 3.25Å; L689-M693 WeakPolarHBondContact O-CG 3.46Å; L689-M693 PolarHBondContact O-N 3.26Å
690K73.7Confident70.1Confident124 Ų124104.3 Ų104.354%0.53954%0.535SS..Hα-helixtrans-65.4-44.1174-178.6-177.5169-175.10111.8M686 K687 K688 M693 E694M686-K690 WeakPolarHBondContact O-CB 3.3Å; M686-K690 PolarHBondContact O-N 3.22Å; K687-K690 WeakPolarHBondContact O-CB 3.3Å; K687-K690 PolarHBondContact O-N 2.81Å; K688-K690 VanDerWaalsContact C-N 3.28Å; K688-K690 PolarHBondContact O-N 3.34Å; K690-M693 PolarHBondContact O-N 3.41Å; K690-E694 WeakPolarHBondContact CE-OE1 3.3Å; K690-E694 IonicContact NZ-OE1 3.65Å; K690-E694 WeakPolarHBondContact O-CB 3.27Å; K690-E694 VanDerWaalsContact O-CG 3.31Å; K690-E694 WeakPolarHBondContact O-CG 3.29Å; K690-E694 PolarHBondContact O-N 3.09Å
691E81.3Confident70.9Confident117 Ų117102.8 Ų102.855%0.54753%0.531SS..Hα-helixtrans-66-39.9177.2-74.1169.1-172.600111.6K687 K688 E694 G695K687-E691 WeakPolarHBondContact O-CG 3.39Å; K687-E691 PolarHBondContact O-N 3.49Å; K688-E691 PolarHBondContact O-N 3.16Å; E691-E694 PolarHBondContact O-N 3.17Å; E691-G695 PolarHBondContact O-N 2.75Å
692E79.4Confident71.7Confident103 Ų103101.5 Ų101.548%0.48153%0.525SS..Hα-helixtrans-65-42.8172.4-73.3174.1-176.600111.4K688 G695 V696K688-E692 WeakPolarHBondContact CE-OE1 3.27Å; K688-E692 WeakPolarHBondContact O-CB 3.16Å; K688-E692 WeakPolarHBondContact O-CG 3.16Å; K688-E692 PolarHBondContact O-N 3.41Å; E692-G695 PolarHBondContact O-N 2.81Å; E692-V696 WeakPolarHBondContact O-CG2 3.16Å; E692-V696 PolarHBondContact O-N 3.08Å
693M70.8Confident72.8Confident119 Ų119101.2 Ų101.259%0.58653%0.526SS*.Hα-helixtrans-65.8-37.6174.4-78.3179.475.300112.3L689 K690 G695 V696 V697L689-M693 HydrophobicContact CG-SD 4.33Å; L689-M693 VanDerWaalsContact O-CB 3.27Å; L689-M693 WeakPolarHBondContact O-CB 3.02Å; L689-M693 VanDerWaalsContact O-CG 3.25Å; L689-M693 WeakPolarHBondContact O-CG 3.46Å; L689-M693 PolarHBondContact O-N 3.26Å; K690-M693 PolarHBondContact O-N 3.41Å; M693-G695 VanDerWaalsContact C-N 3.35Å; M693-V696 PolarHBondContact O-N 2.88Å; M693-V697 WeakPolarHBondContact O-CB 3.23Å; M693-V697 WeakPolarHBondContact O-CG2 3.38Å; M693-V697 PolarHBondContact O-N 3.23Å
694E80.7Confident73.4Confident107 Ų107101.5 Ų101.550%0.552%0.524SS..Hα-helixtrans-66.3-37.3173.8-77.5174.8175.500111.3K690 E691 V697 K698K690-E694 WeakPolarHBondContact CE-OE1 3.3Å; K690-E694 IonicContact NZ-OE1 3.65Å; K690-E694 WeakPolarHBondContact O-CB 3.27Å; K690-E694 VanDerWaalsContact O-CG 3.31Å; K690-E694 WeakPolarHBondContact O-CG 3.29Å; K690-E694 PolarHBondContact O-N 3.09Å; E691-E694 PolarHBondContact O-N 3.17Å; E694-V697 PolarHBondContact O-N 3.44Å; E694-K698 WeakPolarHBondContact O-CB 3.14Å; E694-K698 PolarHBondContact O-N 3.41Å
695G81.1Confident73.9Confident35 Ų35100.8 Ų100.836%0.36152%0.518SS..Hα-helixtrans-62-48.5171.100000112.5E691 E692 M693 V697 K698 E699E691-G695 PolarHBondContact O-N 2.75Å; E692-G695 PolarHBondContact O-N 2.81Å; M693-G695 VanDerWaalsContact C-N 3.35Å; G695-V697 PolarHBondContact O-N 2.65Å; G695-K698 WeakPolarHBondContact O-CB 3.41Å; G695-K698 PolarHBondContact O-N 3.43Å; G695-K698 VanDerWaalsContact O-N 3.17Å; G695-E699 PolarHBondContact O-N 3.31Å
696V77.3Confident73.9Confident78 Ų78105.2 Ų105.247%0.47353%0.526SS..Hα-helixtrans-64.5-38.3176.8171.80000111.6E692 M693 K698 E699 L700E692-V696 WeakPolarHBondContact O-CG2 3.16Å; E692-V696 PolarHBondContact O-N 3.08Å; M693-V696 PolarHBondContact O-N 2.88Å; V696-K698 VanDerWaalsContact C-N 3.33Å; V696-E699 PolarHBondContact O-N 3.42Å; V696-L700 HydrophobicContact CG1-CD1 3.83Å; V696-L700 VanDerWaalsContact O-CB 3.29Å; V696-L700 WeakPolarHBondContact O-CB 3.29Å; V696-L700 WeakPolarHBondContact O-CG 3.28Å; V696-L700 PolarHBondContact O-N 3.22Å
697V76.9Confident74Confident92 Ų92104.5 Ų104.556%0.55852%0.524SS*.Hα-helixtrans-65.3-37.5174.2167.60000111M693 E694 G695 L700 A701M693-V697 WeakPolarHBondContact O-CB 3.23Å; M693-V697 WeakPolarHBondContact O-CG2 3.38Å; M693-V697 PolarHBondContact O-N 3.23Å; E694-V697 PolarHBondContact O-N 3.44Å; G695-V697 PolarHBondContact O-N 2.65Å; V697-L700 PolarHBondContact O-N 3.18Å; V697-A701 VanDerWaalsContact O-CB 3.28Å; V697-A701 WeakPolarHBondContact O-CB 3.36Å; V697-A701 PolarHBondContact O-N 3.12Å
698K80.1Confident73.9Confident135 Ų135104.9 Ų104.959%0.58753%0.528SS*.Hα-helixtrans-68.7-43.3175.6-167.1-177.8176.6-168.60111.9E694 G695 V696 A701 E702E694-K698 WeakPolarHBondContact O-CB 3.14Å; E694-K698 PolarHBondContact O-N 3.41Å; G695-K698 WeakPolarHBondContact O-CB 3.41Å; G695-K698 PolarHBondContact O-N 3.43Å; G695-K698 VanDerWaalsContact O-N 3.17Å; V696-K698 VanDerWaalsContact C-N 3.33Å; K698-A701 PolarHBondContact O-N 3.39Å; K698-E702 WeakPolarHBondContact CE-OE1 3.41Å; K698-E702 WeakPolarHBondContact O-CB 3.39Å; K698-E702 WeakPolarHBondContact O-CG 3.32Å; K698-E702 PolarHBondContact O-N 3.48Å
699E79.6Confident73.3Confident127 Ų127106.5 Ų106.559%0.59353%0.53SS*.Hα-helixtrans-63.5-39.5173.2-75.8-175.1173.100112G695 V696 E702 N703G695-E699 PolarHBondContact O-N 3.31Å; V696-E699 PolarHBondContact O-N 3.42Å; E699-E702 PolarHBondContact O-N 3.18Å; E699-N703 VanDerWaalsContact O-CB 3.28Å; E699-N703 WeakPolarHBondContact O-CB 3.43Å; E699-N703 PolarHBondContact O-N 2.94Å; E699-N703 PolarHBondContact O-ND2 3.29Å
700L73Confident72.5Confident94 Ų94107.7 Ų107.749%0.49253%0.531SS..Hα-helixtrans-65.9-38.5173.5-85.3160.4000112V696 V697 N704V696-L700 HydrophobicContact CG1-CD1 3.83Å; V696-L700 VanDerWaalsContact O-CB 3.29Å; V696-L700 WeakPolarHBondContact O-CB 3.29Å; V696-L700 WeakPolarHBondContact O-CG 3.28Å; V696-L700 PolarHBondContact O-N 3.22Å; V697-L700 PolarHBondContact O-N 3.18Å; L700-N704 VanDerWaalsContact O-CB 3.28Å; L700-N704 WeakPolarHBondContact O-CB 3.43Å; L700-N704 VanDerWaalsContact O-CG 3.24Å; L700-N704 PolarHBondContact O-N 2.83Å; L700-N704 PolarHBondContact O-ND2 3.45Å
701A74.1Confident71.5Confident55 Ų55103 Ų10346%0.45552%0.519SS..Hα-helixtrans-67.7-40.417500000111.7V697 K698 N704 H705V697-A701 VanDerWaalsContact O-CB 3.28Å; V697-A701 WeakPolarHBondContact O-CB 3.36Å; V697-A701 PolarHBondContact O-N 3.12Å; K698-A701 PolarHBondContact O-N 3.39Å; A701-N704 PolarHBondContact O-N 3.42Å; A701-H705 WeakPolarHBondContact O-CB 3.42Å; A701-H705 PolarHBondContact O-N 2.82Å
702E73.9Confident70Confident114 Ų114101.8 Ų101.853%0.53352%0.519SS..Hα-helixtrans-66.9-41.2174.7-74.4176.1-17000111.5K698 E699 H705 F706K698-E702 WeakPolarHBondContact CE-OE1 3.41Å; K698-E702 WeakPolarHBondContact O-CB 3.39Å; K698-E702 WeakPolarHBondContact O-CG 3.32Å; K698-E702 PolarHBondContact O-N 3.48Å; E699-E702 PolarHBondContact O-N 3.18Å; E702-H705 PolarHBondContact O-N 2.95Å; E702-F706 WeakPolarHBondContact O-CB 3.22Å; E702-F706 PolarHBondContact O-N 3.27Å
703N73.1Confident68.4Low99 Ų99103.3 Ų103.353%0.52953%0.53SS..Hα-helixtrans-66.3-40.2173.9-80.4-24.4000112.5E699 H705 F706 L707E699-N703 VanDerWaalsContact O-CB 3.28Å; E699-N703 WeakPolarHBondContact O-CB 3.43Å; E699-N703 PolarHBondContact O-N 2.94Å; E699-N703 PolarHBondContact O-ND2 3.29Å; N703-H705 VanDerWaalsContact C-N 3.34Å; N703-F706 WeakPolarHBondContact O-CB 3.49Å; N703-F706 PolarHBondContact O-N 3.36Å; N703-L707 WeakPolarHBondContact O-CB 3.46Å; N703-L707 WeakPolarHBondContact O-CG 3.31Å; N703-L707 PolarHBondContact O-N 3.46Å
704N70.6Confident67.2Low87 Ų87102.8 Ų102.847%0.46553%0.534SS..Hα-helixtrans-64.9-39173.2-78.1-14.9000111.2L700 A701 F706 L707 E708L700-N704 VanDerWaalsContact O-CB 3.28Å; L700-N704 WeakPolarHBondContact O-CB 3.43Å; L700-N704 VanDerWaalsContact O-CG 3.24Å; L700-N704 PolarHBondContact O-N 2.83Å; L700-N704 PolarHBondContact O-ND2 3.45Å; A701-N704 PolarHBondContact O-N 3.42Å; N704-F706 VanDerWaalsContact C-N 3.31Å; N704-F706 PolarHBondContact O-N 2.96Å; N704-L707 PolarHBondContact O-N 2.95Å; N704-E708 WeakPolarHBondContact O-CB 3.49Å; N704-E708 WeakPolarHBondContact O-CG 3.43Å; N704-E708 PolarHBondContact O-N 3.49Å
705H70.4Confident65.5Low113 Ų113104.5 Ų104.552%0.52355%0.545SS..Hα-helixtrans-67.1-33.4174.8-162.522.6000112.1A701 E702 N703 R709A701-H705 WeakPolarHBondContact O-CB 3.42Å; A701-H705 PolarHBondContact O-N 2.82Å; E702-H705 PolarHBondContact O-N 2.95Å; N703-H705 VanDerWaalsContact C-N 3.34Å; H705-R709 WeakPolarHBondContact O-CB 3.44Å; H705-R709 PolarHBondContact O-N 3.16Å
706F66.7Low63.7Low132 Ų132110.6 Ų110.658%0.57957%0.57SS**Hα-helixtrans-66.9-43.7172-148.2-92.4000111.6E702 N703 N704 R709 F710E702-F706 WeakPolarHBondContact O-CB 3.22Å; E702-F706 PolarHBondContact O-N 3.27Å; N703-F706 WeakPolarHBondContact O-CB 3.49Å; N703-F706 PolarHBondContact O-N 3.36Å; N704-F706 VanDerWaalsContact C-N 3.31Å; N704-F706 PolarHBondContact O-N 2.96Å; F706-R709 PolarHBondContact O-N 3.47Å; F706-F710 AromaticContact CD1-CD2 3.8Å; F706-F710 HydrophobicContact CD1-CD2 3.8Å; F706-F710 AromaticContact CD1-CE2 3.83Å; F706-F710 HydrophobicContact CD1-CE2 3.83Å; F706-F710 AromaticContact CE1-CD2 3.83Å; F706-F710 HydrophobicContact CE1-CD2 3.83Å; F706-F710 AromaticContact CE1-CE2 3.34Å; F706-F710 HydrophobicContact CE1-CE2 3.34Å; F706-F710 HydrophobicContact CE1-CZ 4.38Å; F706-F710 HydrophobicContact CZ-CE2 4.09Å; F706-F710 WeakPolarHBondContact O-CD2 2.84Å; F706-F710 PolarHBondContact O-N 2.8Å
707L63.3Low62.1Low116 Ų116110.4 Ų110.461%0.60758%0.584SS**Hα-helixtrans-66.9-37.3175.9-74167.4000112.5N703 N704 F710 G711N703-L707 WeakPolarHBondContact O-CB 3.46Å; N703-L707 WeakPolarHBondContact O-CG 3.31Å; N703-L707 PolarHBondContact O-N 3.46Å; N704-L707 PolarHBondContact O-N 2.95Å; L707-F710 PolarHBondContact O-N 3.34Å; L707-G711 PolarHBondContact O-N 3.19Å
708E65.7Low60.5Low129 Ų129108.8 Ų108.860%0.60359%0.586SS**Hα-helixtrans-68-36.7173.4-76.6177.4174.200112N704 G711 T712N704-E708 WeakPolarHBondContact O-CB 3.49Å; N704-E708 WeakPolarHBondContact O-CG 3.43Å; N704-E708 PolarHBondContact O-N 3.49Å; E708-G711 PolarHBondContact O-N 3.14Å; E708-T712 WeakPolarHBondContact O-CB 3.27Å; E708-T712 PolarHBondContact O-N 2.91Å; E708-T712 PolarHBondContact O-OG1 2.96Å
709R60.6Low58.6Low164 Ų164110.5 Ų110.562%0.61960%0.601SS**Hα-helixtrans-64.4-37169.9-98.2-175.1176.8177.21.2112.6H705 F706 T712 L713H705-R709 WeakPolarHBondContact O-CB 3.44Å; H705-R709 PolarHBondContact O-N 3.16Å; F706-R709 PolarHBondContact O-N 3.47Å; R709-T712 WeakPolarHBondContact CA-OG1 3.33Å; R709-T712 PolarHBondContact O-OG1 2.94Å; R709-L713 WeakPolarHBondContact O-CB 3.39Å; R709-L713 WeakPolarHBondContact O-CD1 3.12Å; R709-L713 VanDerWaalsContact O-CG 3.28Å; R709-L713 WeakPolarHBondContact O-CG 3.46Å; R709-L713 PolarHBondContact O-N 3.29Å; R709-L713 VanDerWaalsContact O-N 3.12Å
710F51.3Low56.5Low121 Ų121116.7 Ų116.753%0.53162%0.619SS.*Hα-helixtrans-75.1-33.9174.8-95.5-90.1000113F706 L707 L713 T714F706-F710 AromaticContact CD1-CD2 3.8Å; F706-F710 HydrophobicContact CD1-CD2 3.8Å; F706-F710 AromaticContact CD1-CE2 3.83Å; F706-F710 HydrophobicContact CD1-CE2 3.83Å; F706-F710 AromaticContact CE1-CD2 3.83Å; F706-F710 HydrophobicContact CE1-CD2 3.83Å; F706-F710 AromaticContact CE1-CE2 3.34Å; F706-F710 HydrophobicContact CE1-CE2 3.34Å; F706-F710 HydrophobicContact CE1-CZ 4.38Å; F706-F710 HydrophobicContact CZ-CE2 4.09Å; F706-F710 WeakPolarHBondContact O-CD2 2.84Å; F706-F710 PolarHBondContact O-N 2.8Å; L707-F710 PolarHBondContact O-N 3.34Å; F710-L713 PolarHBondContact O-N 2.63Å; F710-T714 PolarHBondContact O-N 3.18Å; F710-T714 PolarHBondContact O-OG1 2.91Å
711G51.2Low54.8Low26 Ų26119.8 Ų119.827%0.26867%0.673SS.*Hα-helixtrans-68.3-37173.500000112.8L707 E708 T714 L715L707-G711 PolarHBondContact O-N 3.19Å; E708-G711 PolarHBondContact O-N 3.14Å; G711-T714 WeakPolarHBondContact CA-OG1 3.5Å; G711-T714 PolarHBondContact O-N 3.24Å; G711-T714 PolarHBondContact O-OG1 3.08Å; G711-L715 PolarHBondContact O-N 3.16Å
712T49.7Very low53.8Low92 Ų92123 Ų12356%0.56468%0.684SS**Hα-helixtrans-74-28.4173.242.20000112.9E708 R709 T714E708-T712 WeakPolarHBondContact O-CB 3.27Å; E708-T712 PolarHBondContact O-N 2.91Å; E708-T712 PolarHBondContact O-OG1 2.96Å; R709-T712 WeakPolarHBondContact CA-OG1 3.33Å; R709-T712 PolarHBondContact O-OG1 2.94Å; T712-T714 VanDerWaalsContact C-N 3.32Å
713L45.6Very low52.8Low134 Ų134123.5 Ų123.570%0.70269%0.692SS**Hα-helixtrans-76.6-12.5171.7-77.8164.3000114.5R709 F710R709-L713 WeakPolarHBondContact O-CB 3.39Å; R709-L713 WeakPolarHBondContact O-CD1 3.12Å; R709-L713 VanDerWaalsContact O-CG 3.28Å; R709-L713 WeakPolarHBondContact O-CG 3.46Å; R709-L713 PolarHBondContact O-N 3.29Å; R709-L713 VanDerWaalsContact O-N 3.12Å; F710-L713 PolarHBondContact O-N 2.63Å
714T46.8Very low51.6Low108 Ų108124.8 Ų124.866%0.66370%0.701SS**Hα-helixtrans-104.2-13.4177.841.50000114F710 G711 T712F710-T714 PolarHBondContact O-N 3.18Å; F710-T714 PolarHBondContact O-OG1 2.91Å; G711-T714 WeakPolarHBondContact CA-OG1 3.5Å; G711-T714 PolarHBondContact O-N 3.24Å; G711-T714 PolarHBondContact O-OG1 3.08Å; T712-T714 VanDerWaalsContact C-N 3.32Å
715L45.2Very low50.5Low143 Ų143127.1 Ų127.175%0.74971%0.714SS**Hα-helixtrans-95-18.7179.3-82.9158.5000114.9G711G711-L715 PolarHBondContact O-N 3.16Å
716D43.3Very low49.3Very low163 Ų163127.9 Ų127.987%0.87273%0.726SS**SBendtrans-95.97.7178.4-93-10.8000114.8
717G43.1Very low48.1Very low74 Ų74127.7 Ų127.776%0.76374%0.736SS**SBendtrans-1032178.200000115.8
718G43.5Very low47Very low59 Ų59128.5 Ų128.561%0.60875%0.745SS**  trans-108.2108.7-17200000114.3
719L39.8Very low45.6Very low171 Ų171128.5 Ų128.590%0.89576%0.756SS**  trans83.7101.6160.2-60.8155.1000118.2
720R35.7Very low44.3Very low257 Ų257125.5 Ų125.597%0.9777%0.768SS**  175.3127.1117.7-95.1172-166.5-140.24.3110.8
721G36.9Very low43.7Very low158 Ų158125.9 Ų125.9100%1.62979%0.789SS**  trans1220163.700000114

Retrieved 721 of 721 residues in 355.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).