A0A077Z1K9_TRITR Loading...

U6 small nuclear RNA (adenine-(43)-N(6))-methyltransferase

AlphaFold DB , UniProt , Accession A0A077Z1K9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 314 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M58.7Low88.6Confident220 Ų22081 Ų81100%1.08440%0.402SS*.  0144.30-69.8171.1-141.400108.9
2T79.7Confident89.3Confident78 Ų7880.7 Ų80.748%0.47940%0.402SS..  trans-89.7151.117359.30000109.7N4 G270T2-N4 VanDerWaalsContact C-N 3.32Å; T2-G270 CarbonylContact C-O 3.58Å; T2-G270 VanDerWaalsContact CA-O 3.25Å; T2-G270 WeakPolarHBondContact CA-O 3.48Å
3F84.6Confident89.8Confident59 Ų5975.1 Ų75.126%0.25937%0.373SS..  trans-93.716.1179.9-55.1-68.9000112.8Q5 F6 G270 Q273F3-Q5 PolarHBondContact O-N 3.08Å; F3-F6 HydrophobicContact CB-CD2 4.08Å; F3-F6 HydrophobicContact CD1-CD2 4.12Å; F3-F6 HydrophobicContact CD1-CE2 4.3Å; F3-F6 WeakPolarHBondContact O-CA 3.35Å; F3-F6 WeakPolarHBondContact O-CB 3.25Å; F3-F6 PolarHBondContact O-N 2.76Å; F3-G270 WeakPolarHBondContact CD2-O 3.26Å; F3-G270 PolarHBondContact N-O 2.81Å; F3-Q273 HydrophobicContact CD2-CG 3.8Å; F3-Q273 HydrophobicContact CE2-CG 3.81Å; F3-Q273 HydrophobicContact CG-CG 4.28Å; F3-Q273 HydrophobicContact CZ-CG 4.3Å
4N87.6Confident90.2Very high49 Ų4974.8 Ų74.826%0.26237%0.369SS..G310 helixtrans-57.8-34.8-174.2-69-8000112.8T2 F6 M7 G270T2-N4 VanDerWaalsContact C-N 3.32Å; N4-F6 PolarHBondContact O-N 2.88Å; N4-F6 VanDerWaalsContact O-N 3.11Å; N4-M7 HydrophobicContact CB-CE 4.32Å; N4-M7 WeakPolarHBondContact O-CB 3.36Å; N4-M7 WeakPolarHBondContact O-CG 3.35Å; N4-M7 PolarHBondContact O-N 2.82Å; N4-M7 WeakPolarHBondContact OD1-CE 3.45Å; N4-G270 WeakPolarHBondContact OD1-CA 3.26Å; N4-G270 PolarHBondContact OD1-N 2.85Å
5Q90.6Very high90.3Very high134 Ų13475.2 Ų75.263%0.62639%0.389SS*.G310 helixtrans-60.3-21.1175.267.5-175.5-1.600113.7F3 K14F3-Q5 PolarHBondContact O-N 3.08Å; Q5-K14 WeakPolarHBondContact O-CE 3.46Å; Q5-K14 PolarHBondContact O-NZ 3.49Å
6F92.9Very high90.5Very high118 Ų11877.8 Ų77.852%0.51840%0.403SS..G310 helixtrans-98.66.3179.2-54.2-64.4000113.3F3 N4F3-F6 HydrophobicContact CB-CD2 4.08Å; F3-F6 HydrophobicContact CD1-CD2 4.12Å; F3-F6 HydrophobicContact CD1-CE2 4.3Å; F3-F6 WeakPolarHBondContact O-CA 3.35Å; F3-F6 WeakPolarHBondContact O-CB 3.25Å; F3-F6 PolarHBondContact O-N 2.76Å; N4-F6 PolarHBondContact O-N 2.88Å; N4-F6 VanDerWaalsContact O-N 3.11Å
7M95.3Very high90.6Very high10 Ų1078.1 Ų78.15%0.04941%0.411CS..SBendtrans-58.1156.9165.4-71.9179.3-176.200110.1N4 N11 K14 P80 S268 Q269N4-M7 HydrophobicContact CB-CE 4.32Å; N4-M7 WeakPolarHBondContact O-CB 3.36Å; N4-M7 WeakPolarHBondContact O-CG 3.35Å; N4-M7 PolarHBondContact O-N 2.82Å; N4-M7 WeakPolarHBondContact OD1-CE 3.45Å; M7-N11 HydrophobicContact CB-CB 4.26Å; M7-K14 HydrophobicContact CB-CB 4.02Å; M7-K14 HydrophobicContact CB-CD 4.34Å; M7-K14 HydrophobicContact CB-CG 4.17Å; M7-K14 WeakPolarHBondContact O-CD 3.41Å; M7-K14 PolarHBondContact O-NZ 3.04Å; M7-K14 HydrophobicContact SD-CB 4.35Å; M7-P80 HydrophobicContact CE-CB 3.96Å; M7-S268 WeakPolarHBondContact CA-O 3.39Å; M7-S268 WeakPolarHBondContact CG-O 3.46Å; M7-S268 PolarHBondContact N-O 3.45Å; M7-Q269 HydrophobicContact CE-CB 3.44Å; M7-Q269 VanDerWaalsContact CE-CB 3.44Å; M7-Q269 HydrophobicContact CG-CB 4.12Å
8H95.8Very high90.8Very high28 Ų2875.8 Ų75.813%0.1340%0.402CS..  trans-52.4136.7174.4-170.1-85.1000110.6R10 N11 N84 L87 D91H8-R10 PolarHBondContact ND1-N 3.23Å; H8-R10 VanDerWaalsContact ND1-N 3.14Å; H8-R10 PolarHBondContact O-N 3Å; H8-N11 HydrophobicContact CB-CB 4.23Å; H8-N11 WeakPolarHBondContact O-CB 3.31Å; H8-N11 PolarHBondContact O-N 3.05Å; H8-N84 WeakPolarHBondContact CB-OD1 3.21Å; H8-N84 PolarHBondContact N-OD1 3.38Å; H8-L87 HydrophobicContact CB-CB 4.18Å; H8-L87 HydrophobicContact CB-CD1 4.05Å; H8-L87 WeakPolarHBondContact ND1-CB 3.37Å; H8-D91 IonicContact CD2-OD2 2.74Å; H8-D91 IonicContact CE1-OD1 3.38Å; H8-D91 IonicContact CE1-OD2 3.88Å; H8-D91 IonicContact NE2-OD1 3.47Å; H8-D91 PolarHBondContact NE2-OD1 2.72Å; H8-D91 IonicContact NE2-OD2 2.96Å; H8-D91 PolarHBondContact NE2-OD2 3.02Å
9P95.4Very high90.9Very high102 Ų10276.6 Ų76.666%0.66241%0.406SS*.THydrogen-bonded Turntrans-54.7-37-176.5-27.435.1000114.1N11P9-N11 VanDerWaalsContact C-N 3.29Å; P9-N11 PolarHBondContact O-N 3.04Å
10R96.4Very high91.1Very high89 Ų8974.8 Ų74.834%0.33640%0.395SS..THydrogen-bonded Turntrans-79.60.4176.7-58.7-170.6-80.2179.8-12.2114.7H8 I12 L87 Q90 D91 E94H8-R10 PolarHBondContact ND1-N 3.23Å; H8-R10 VanDerWaalsContact ND1-N 3.14Å; H8-R10 PolarHBondContact O-N 3Å; R10-I12 PolarHBondContact O-N 3.28Å; R10-L87 HydrophobicContact CB-CD1 4.11Å; R10-L87 HydrophobicContact CB-CD2 3.94Å; R10-Q90 VanDerWaalsContact NH1-CD 3.25Å; R10-D91 IonicContact CZ-OD1 2.78Å; R10-D91 IonicContact NE-OD1 3.26Å; R10-D91 IonicContact NH2-OD1 3.33Å; R10-D91 PolarHBondContact NH2-OD1 3.1Å; R10-E94 IonicContact CZ-OE1 3.12Å; R10-E94 IonicContact CZ-OE2 2.8Å; R10-E94 IonicContact NH1-OE1 3.81Å; R10-E94 PolarHBondContact NH1-OE1 3.26Å; R10-E94 IonicContact NH1-OE2 3.28Å; R10-E94 PolarHBondContact NH1-OE2 2.8Å; R10-E94 IonicContact NH2-OE1 2.98Å; R10-E94 IonicContact NH2-OE2 3.93Å; R10-E94 PolarHBondContact NH2-OE2 3.46Å
11N97.4Very high91.2Very high4 Ų477.4 Ų77.42%0.02140%0.403CS..  trans-75.3117.3179.8-168.6-35.4000109.8M7 H8 P9 Y13 K14 P80 N84 L87M7-N11 HydrophobicContact CB-CB 4.26Å; H8-N11 HydrophobicContact CB-CB 4.23Å; H8-N11 WeakPolarHBondContact O-CB 3.31Å; H8-N11 PolarHBondContact O-N 3.05Å; P9-N11 VanDerWaalsContact C-N 3.29Å; P9-N11 PolarHBondContact O-N 3.04Å; N11-Y13 PolarHBondContact O-N 3.16Å; N11-Y13 PolarHBondContact OD1-N 3.35Å; N11-K14 HydrophobicContact CB-CB 4.46Å; N11-K14 WeakPolarHBondContact O-CB 3.5Å; N11-K14 PolarHBondContact O-N 2.69Å; N11-P80 PolarHBondContact ND2-O 2.89Å; N11-N84 PolarHBondContact ND2-OD1 3.33Å; N11-L87 HydrophobicContact CB-CD1 3.85Å
12I96.6Very high93Very high77 Ų7772.4 Ų72.440%0.39538%0.375SS..Hα-helixtrans-56.1-28.7-175.465.8174.1000113.1R10 K14 N16 D63 F64 L83R10-I12 PolarHBondContact O-N 3.28Å; I12-K14 VanDerWaalsContact C-N 3.35Å; I12-N16 WeakPolarHBondContact O-CB 3.41Å; I12-N16 PolarHBondContact O-N 3.19Å; I12-N16 PolarHBondContact O-ND2 3.44Å; I12-D63 HydrophobicContact CD1-CB 3.99Å; I12-F64 HydrophobicContact CD1-CE1 4.24Å; I12-F64 HydrophobicContact CD1-CE2 4.26Å; I12-F64 HydrophobicContact CD1-CZ 3.6Å; I12-L83 HydrophobicContact CG1-CD1 4.29Å
13Y96.6Very high93.8Very high8 Ų868.8 Ų68.83%0.03135%0.353CS..Hα-helixtrans-83.6-6.2-179.8-57.9-63.4000114.4N11 N16 P18 L59 D63 I79 P80 L83N11-Y13 PolarHBondContact O-N 3.16Å; N11-Y13 PolarHBondContact OD1-N 3.35Å; Y13-N16 WeakPolarHBondContact CA-O 3.47Å; Y13-P18 HydrophobicContact CD1-CG 3.85Å; Y13-P18 HydrophobicContact CE1-CG 3.9Å; Y13-L59 HydrophobicContact CE1-CD2 4.31Å; Y13-D63 VanDerWaalsContact CE1-OD2 3.25Å; Y13-D63 WeakPolarHBondContact CE1-OD2 3.44Å; Y13-D63 VanDerWaalsContact CZ-OD2 3.3Å; Y13-D63 PolarHBondContact OH-OD2 2.86Å; Y13-I79 HydrophobicContact CE2-CB 4.39Å; Y13-I79 HydrophobicContact CE2-CG2 3.81Å; Y13-P80 HydrophobicContact CD2-CB 3.96Å; Y13-P80 HydrophobicContact CD2-CG 3.68Å; Y13-P80 HydrophobicContact CE2-CG 4.17Å; Y13-P80 HydrophobicContact CG-CB 4.48Å; Y13-P80 HydrophobicContact CG-CG 4.09Å; Y13-L83 HydrophobicContact CD2-CD1 3.77Å; Y13-L83 HydrophobicContact CE2-CD1 3.58Å
14K95.4Very high94.3Very high71 Ų7166.3 Ų66.331%0.30934%0.343SS..Hα-helixtrans-64.1-51.3-180-179.8173.7-174.9149.60111.5Q5 M7 N11 I12Q5-K14 WeakPolarHBondContact O-CE 3.46Å; Q5-K14 PolarHBondContact O-NZ 3.49Å; M7-K14 HydrophobicContact CB-CB 4.02Å; M7-K14 HydrophobicContact CB-CD 4.34Å; M7-K14 HydrophobicContact CB-CG 4.17Å; M7-K14 WeakPolarHBondContact O-CD 3.41Å; M7-K14 PolarHBondContact O-NZ 3.04Å; M7-K14 HydrophobicContact SD-CB 4.35Å; N11-K14 HydrophobicContact CB-CB 4.46Å; N11-K14 WeakPolarHBondContact O-CB 3.5Å; N11-K14 PolarHBondContact O-N 2.69Å; I12-K14 VanDerWaalsContact C-N 3.35Å
15A90.9Very high94.6Very high81 Ų8170 Ų7067%0.66936%0.362SS*.Hα-helixtrans-93.6-23.8177.900000112.4P17A15-P17 WeakPolarHBondContact O-CD 3.29Å
16N93.5Very high94.9Very high116 Ų11668.9 Ų68.962%0.6236%0.357SS*.SBendtrans-124.173.1-173.5-49.7-69.1000110.7I12 Y13I12-N16 WeakPolarHBondContact O-CB 3.41Å; I12-N16 PolarHBondContact O-N 3.19Å; I12-N16 PolarHBondContact O-ND2 3.44Å; Y13-N16 WeakPolarHBondContact CA-O 3.47Å
17P92.9Very high95.1Very high83 Ų8365.6 Ų65.654%0.53934%0.341SS..  trans-58.4150.1175.227.3-34.8000110.4A15 D19A15-P17 WeakPolarHBondContact O-CD 3.29Å; P17-D19 PolarHBondContact O-N 2.85Å
18P93.4Very high95.1Very high37 Ų3769.5 Ų69.524%0.2437%0.367CS..  trans-55.7123.6179.3-26.835.3000112.5Y13 F20 L23 L59Y13-P18 HydrophobicContact CD1-CG 3.85Å; Y13-P18 HydrophobicContact CE1-CG 3.9Å; P18-F20 HydrophobicContact CB-CD1 4.01Å; P18-F20 HydrophobicContact CB-CE1 3.79Å; P18-F20 WeakPolarHBondContact O-CD1 3.49Å; P18-F20 PolarHBondContact O-N 3.21Å; P18-L23 HydrophobicContact CB-CD1 4.24Å; P18-L59 HydrophobicContact CB-CD2 3.92Å; P18-L59 HydrophobicContact CG-CD1 4.19Å; P18-L59 HydrophobicContact CG-CD2 3.82Å
19D94Very high95.1Very high91 Ų9173.1 Ų73.149%0.48738%0.384SS..  trans-80.397.6174-179.8-12.6000109.7P17 K21 K22 L23P17-D19 PolarHBondContact O-N 2.85Å; D19-K21 VanDerWaalsContact C-N 3.25Å; D19-K21 PolarHBondContact O-N 2.7Å; D19-K21 WeakPolarHBondContact OD1-CB 3.49Å; D19-K21 PolarHBondContact OD1-N 2.64Å; D19-K22 HydrophobicContact CB-CB 3.92Å; D19-K22 PolarHBondContact O-N 3.43Å; D19-K22 VanDerWaalsContact O-N 3.12Å; D19-K22 PolarHBondContact OD1-N 2.96Å; D19-L23 WeakPolarHBondContact O-CG 3.15Å; D19-L23 PolarHBondContact O-N 2.64Å
20F95Very high95.1Very high41 Ų4168.3 Ų68.318%0.1835%0.353CS..Hα-helixtrans-65.3-26.3-177.3-73.15000113.4P18 L23 A24 F30 L42 F44 F46 L55P18-F20 HydrophobicContact CB-CD1 4.01Å; P18-F20 HydrophobicContact CB-CE1 3.79Å; P18-F20 WeakPolarHBondContact O-CD1 3.49Å; P18-F20 PolarHBondContact O-N 3.21Å; F20-L23 HydrophobicContact CD1-CD1 3.91Å; F20-L23 HydrophobicContact CE1-CD1 4.26Å; F20-L23 PolarHBondContact O-N 2.83Å; F20-A24 VanDerWaalsContact O-CB 3.3Å; F20-A24 WeakPolarHBondContact O-CB 3.33Å; F20-A24 PolarHBondContact O-N 3.23Å; F20-F30 HydrophobicContact CB-CE1 4.25Å; F20-F30 HydrophobicContact CB-CZ 4.22Å; F20-F30 AromaticContact CD1-CZ 3.92Å; F20-F30 HydrophobicContact CD1-CZ 3.92Å; F20-F30 HydrophobicContact CD2-CZ 4.15Å; F20-F30 HydrophobicContact CE1-CZ 4.22Å; F20-F30 HydrophobicContact CE2-CZ 4.45Å; F20-F30 HydrophobicContact CG-CE1 4.39Å; F20-F30 AromaticContact CG-CZ 3.86Å; F20-F30 HydrophobicContact CG-CZ 3.86Å; F20-F30 HydrophobicContact CZ-CZ 4.48Å; F20-L42 HydrophobicContact CB-CD2 3.77Å; F20-L42 HydrophobicContact CD2-CD2 4.41Å; F20-F44 HydrophobicContact CD2-CB 3.57Å; F20-F44 HydrophobicContact CD2-CD1 4.5Å; F20-F44 HydrophobicContact CD2-CG 4.03Å; F20-F44 HydrophobicContact CE2-CB 3.55Å; F20-F44 AromaticContact CE2-CD1 3.67Å; F20-F44 HydrophobicContact CE2-CD1 3.67Å; F20-F44 HydrophobicContact CE2-CD2 4.45Å; F20-F44 HydrophobicContact CE2-CE1 4.48Å; F20-F44 AromaticContact CE2-CG 3.63Å; F20-F44 HydrophobicContact CE2-CG 3.63Å; F20-F44 HydrophobicContact CZ-CD1 4.24Å; F20-F44 HydrophobicContact CZ-CG 4.44Å; F20-F46 HydrophobicContact CE2-CE1 4.37Å; F20-F46 AromaticContact CE2-CE2 3.9Å; F20-F46 HydrophobicContact CE2-CE2 3.9Å; F20-F46 AromaticContact CE2-CZ 3.49Å; F20-F46 HydrophobicContact CE2-CZ 3.49Å; F20-F46 VanDerWaalsContact CE2-CZ 3.49Å; F20-F46 HydrophobicContact CZ-CE1 4.16Å; F20-F46 HydrophobicContact CZ-CE2 4.43Å; F20-F46 AromaticContact CZ-CZ 3.57Å; F20-F46 HydrophobicContact CZ-CZ 3.57Å; F20-L55 HydrophobicContact CE1-CD1 3.7Å; F20-L55 HydrophobicContact CE1-CD2 4.34Å; F20-L55 HydrophobicContact CZ-CD1 4.02Å; F20-L55 HydrophobicContact CZ-CD2 3.86Å
21K93.3Very high95.1Very high129 Ų12970.3 Ų70.356%0.56136%0.36SS*.Hα-helixtrans-66.7-45.6172.7-68.8-175.5173.3-170.70109.8D19 A24 L25 G40 L42D19-K21 VanDerWaalsContact C-N 3.25Å; D19-K21 PolarHBondContact O-N 2.7Å; D19-K21 WeakPolarHBondContact OD1-CB 3.49Å; D19-K21 PolarHBondContact OD1-N 2.64Å; K21-A24 PolarHBondContact O-N 2.9Å; K21-L25 PolarHBondContact O-N 2.82Å; K21-L25 VanDerWaalsContact O-N 3.11Å; K21-G40 PolarHBondContact NZ-O 3.2Å; K21-L42 HydrophobicContact CG-CB 4.21Å; K21-L42 HydrophobicContact CG-CD1 4.47Å
22K94.6Very high95Very high116 Ų11676.7 Ų76.750%0.50439%0.388SS..Hα-helixtrans-64.3-40.8175.3-171.7171.6178.9173.10111.9D19 L25 H26D19-K22 HydrophobicContact CB-CB 3.92Å; D19-K22 PolarHBondContact O-N 3.43Å; D19-K22 VanDerWaalsContact O-N 3.12Å; D19-K22 PolarHBondContact OD1-N 2.96Å; K22-L25 PolarHBondContact O-N 3.37Å; K22-H26 PolarHBondContact O-N 3.15Å; K22-H26 PolarHBondContact O-ND1 3.4Å
23L96.7Very high95Very high1 Ų174 Ų741%0.00537%0.374CS..Hα-helixtrans-61.6-49.1176-66.2-173.9000111.6P18 D19 F20 L25 H26 Y27 F30 L55 T58 L59 K62P18-L23 HydrophobicContact CB-CD1 4.24Å; D19-L23 WeakPolarHBondContact O-CG 3.15Å; D19-L23 PolarHBondContact O-N 2.64Å; F20-L23 HydrophobicContact CD1-CD1 3.91Å; F20-L23 HydrophobicContact CE1-CD1 4.26Å; F20-L23 PolarHBondContact O-N 2.83Å; L23-L25 PolarHBondContact O-N 3.22Å; L23-H26 PolarHBondContact O-N 3.38Å; L23-H26 VanDerWaalsContact O-N 3.14Å; L23-Y27 HydrophobicContact CD2-CD2 4.18Å; L23-Y27 HydrophobicContact CD2-CE2 4.18Å; L23-Y27 WeakPolarHBondContact O-CB 3.41Å; L23-Y27 WeakPolarHBondContact O-CD2 3.46Å; L23-Y27 PolarHBondContact O-N 3.29Å; L23-F30 HydrophobicContact CB-CD1 3.54Å; L23-F30 HydrophobicContact CB-CE1 3.51Å; L23-F30 HydrophobicContact CB-CG 4.19Å; L23-F30 HydrophobicContact CB-CZ 4.15Å; L23-F30 HydrophobicContact CD1-CE1 4.23Å; L23-F30 HydrophobicContact CD1-CE2 4.21Å; L23-F30 HydrophobicContact CD1-CZ 4Å; L23-L55 HydrophobicContact CD1-CD1 4.05Å; L23-T58 HydrophobicContact CD1-CG2 4.35Å; L23-T58 HydrophobicContact CD2-CG2 3.91Å; L23-L59 HydrophobicContact CD1-CD2 4.17Å; L23-K62 HydrophobicContact CD2-CD 3.37Å
24A95.5Very high94.9Very high8 Ų874.5 Ų74.57%0.06638%0.378CS..Hα-helixtrans-63.4-26179.300000113.2F20 K21 F30 R31 L42F20-A24 VanDerWaalsContact O-CB 3.3Å; F20-A24 WeakPolarHBondContact O-CB 3.33Å; F20-A24 PolarHBondContact O-N 3.23Å; K21-A24 PolarHBondContact O-N 2.9Å; A24-F30 HydrophobicContact CB-CD1 4.15Å; A24-F30 HydrophobicContact CB-CE1 4.31Å; A24-R31 HydrophobicContact CB-CB 4.18Å; A24-R31 HydrophobicContact CB-CG 4.23Å; A24-R31 WeakPolarHBondContact O-CB 3.42Å; A24-R31 WeakPolarHBondContact O-CD 3.36Å; A24-L42 HydrophobicContact CB-CD1 3.66Å
25L94.9Very high94.7Very high125 Ų12576.8 Ų76.865%0.65439%0.394SS*.Hα-helixtrans-72.9-40174.2-17563.8000112.6K21 K22 L23K21-L25 PolarHBondContact O-N 2.82Å; K21-L25 VanDerWaalsContact O-N 3.11Å; K22-L25 PolarHBondContact O-N 3.37Å; L23-L25 PolarHBondContact O-N 3.22Å
26H96.3Very high94.6Very high111 Ų11178.8 Ų78.851%0.51439%0.391SS..Hα-helixtrans-97.6-21.2-171.5-64.284000114.1K22 L23K22-H26 PolarHBondContact O-N 3.15Å; K22-H26 PolarHBondContact O-ND1 3.4Å; L23-H26 PolarHBondContact O-N 3.38Å; L23-H26 VanDerWaalsContact O-N 3.14Å
27Y96.9Very high94.4Very high50 Ų5075.6 Ų75.620%0.19637%0.374CS..  trans-12294.7-175.2-62.5-88.4000109.8L23 E29 F30 R31 T58 E61 K62L23-Y27 HydrophobicContact CD2-CD2 4.18Å; L23-Y27 HydrophobicContact CD2-CE2 4.18Å; L23-Y27 WeakPolarHBondContact O-CB 3.41Å; L23-Y27 WeakPolarHBondContact O-CD2 3.46Å; L23-Y27 PolarHBondContact O-N 3.29Å; Y27-E29 VanDerWaalsContact C-N 3.3Å; Y27-E29 PolarHBondContact O-N 3.46Å; Y27-F30 WeakPolarHBondContact O-CB 3.42Å; Y27-F30 PolarHBondContact O-N 3.49Å; Y27-R31 PolarHBondContact O-N 3.45Å; Y27-T58 HydrophobicContact CD1-CG2 3.88Å; Y27-T58 HydrophobicContact CD2-CG2 3.64Å; Y27-T58 HydrophobicContact CE1-CG2 4.25Å; Y27-T58 HydrophobicContact CE2-CG2 4.04Å; Y27-T58 HydrophobicContact CG-CG2 3.56Å; Y27-E61 HydrophobicContact CE1-CG 4.47Å; Y27-K62 HydrophobicContact CE2-CB 4.26Å; Y27-K62 HydrophobicContact CE2-CD 4.09Å; Y27-K62 HydrophobicContact CE2-CG 4.35Å; Y27-K62 WeakPolarHBondContact OH-CA 3.16Å; Y27-K62 VanDerWaalsContact OH-CB 3.25Å; Y27-K62 WeakPolarHBondContact OH-CB 3.48Å
28P95.6Very high94.2Very high91 Ų9178.2 Ų78.259%0.59139%0.389SS*.Hα-helixtrans-56.2-39-177.2-28.636000114F30 R31 K32P28-F30 VanDerWaalsContact C-N 3.35Å; P28-F30 PolarHBondContact O-N 3.46Å; P28-R31 WeakPolarHBondContact O-CB 3.16Å; P28-R31 PolarHBondContact O-N 3.01Å; P28-K32 PolarHBondContact O-N 3.35Å
29E95.3Very high93.9Very high105 Ų10585.3 Ų85.349%0.49142%0.416SS..Hα-helixtrans-63-40.2176.2-63.3-53.2121.800111.9Y27 R31 K32 H33 T54Y27-E29 VanDerWaalsContact C-N 3.3Å; Y27-E29 PolarHBondContact O-N 3.46Å; E29-R31 VanDerWaalsContact C-N 3.33Å; E29-R31 PolarHBondContact O-N 3.36Å; E29-K32 WeakPolarHBondContact O-CB 3.14Å; E29-K32 PolarHBondContact O-N 3.49Å; E29-K32 VanDerWaalsContact OE1-CE 3.27Å; E29-K32 WeakPolarHBondContact OE1-CE 3.49Å; E29-K32 IonicContact OE1-NZ 2.68Å; E29-K32 PolarHBondContact OE1-NZ 2.75Å; E29-K32 WeakPolarHBondContact OE2-CE 3.25Å; E29-K32 IonicContact OE2-NZ 2.71Å; E29-K32 PolarHBondContact OE2-NZ 3.17Å; E29-H33 PolarHBondContact O-CD2 3.48Å; E29-H33 VanDerWaalsContact O-CD2 3.29Å; E29-T54 HydrophobicContact CB-CG2 4.18Å
30F96.8Very high93.4Very high0 Ų082.7 Ų82.70%041%0.41CS..Hα-helixtrans-64.3-39.2174179.3-94.1000111.7F20 L23 A24 Y27 P28 K32 H33 C34 F44 T54 L55F20-F30 HydrophobicContact CB-CE1 4.25Å; F20-F30 HydrophobicContact CB-CZ 4.22Å; F20-F30 AromaticContact CD1-CZ 3.92Å; F20-F30 HydrophobicContact CD1-CZ 3.92Å; F20-F30 HydrophobicContact CD2-CZ 4.15Å; F20-F30 HydrophobicContact CE1-CZ 4.22Å; F20-F30 HydrophobicContact CE2-CZ 4.45Å; F20-F30 HydrophobicContact CG-CE1 4.39Å; F20-F30 AromaticContact CG-CZ 3.86Å; F20-F30 HydrophobicContact CG-CZ 3.86Å; F20-F30 HydrophobicContact CZ-CZ 4.48Å; L23-F30 HydrophobicContact CB-CD1 3.54Å; L23-F30 HydrophobicContact CB-CE1 3.51Å; L23-F30 HydrophobicContact CB-CG 4.19Å; L23-F30 HydrophobicContact CB-CZ 4.15Å; L23-F30 HydrophobicContact CD1-CE1 4.23Å; L23-F30 HydrophobicContact CD1-CE2 4.21Å; L23-F30 HydrophobicContact CD1-CZ 4Å; A24-F30 HydrophobicContact CB-CD1 4.15Å; A24-F30 HydrophobicContact CB-CE1 4.31Å; Y27-F30 WeakPolarHBondContact O-CB 3.42Å; Y27-F30 PolarHBondContact O-N 3.49Å; P28-F30 VanDerWaalsContact C-N 3.35Å; P28-F30 PolarHBondContact O-N 3.46Å; F30-K32 VanDerWaalsContact C-N 3.25Å; F30-K32 PolarHBondContact O-N 3.05Å; F30-H33 PolarHBondContact O-N 3.44Å; F30-H33 VanDerWaalsContact O-N 3.14Å; F30-C34 WeakPolarHBondContact CE1-SG 3.12Å; F30-C34 PolarHBondContact O-SG 3.27Å; F30-C34 VanDerWaalsContact O-SG 3.34Å; F30-F44 HydrophobicContact CD2-CE2 4.02Å; F30-F44 HydrophobicContact CE1-CD2 4.49Å; F30-F44 AromaticContact CE2-CD2 3.65Å; F30-F44 HydrophobicContact CE2-CD2 3.65Å; F30-F44 AromaticContact CE2-CE2 3.34Å; F30-F44 HydrophobicContact CE2-CE2 3.34Å; F30-F44 HydrophobicContact CE2-CZ 4.08Å; F30-F44 AromaticContact CZ-CD2 3.64Å; F30-F44 HydrophobicContact CZ-CD2 3.64Å; F30-F44 AromaticContact CZ-CE2 3.86Å; F30-F44 HydrophobicContact CZ-CE2 3.86Å; F30-F44 HydrophobicContact CZ-CG 4.37Å; F30-T54 HydrophobicContact CB-CG2 4.12Å; F30-L55 HydrophobicContact CD2-CB 4.34Å; F30-L55 HydrophobicContact CD2-CD1 4.36Å; F30-L55 HydrophobicContact CE2-CB 3.97Å; F30-L55 HydrophobicContact CE2-CD1 3.61Å; F30-L55 HydrophobicContact CE2-CG 4.32Å; F30-L55 HydrophobicContact CZ-CD1 4.32Å
31R95.6Very high93Very high131 Ų13186.9 Ų86.949%0.49443%0.429SS..Hα-helixtrans-60.2-32.5178.4-173.3177.3179.1149.2-2.2113A24 Y27 P28 E29 H33 C34A24-R31 HydrophobicContact CB-CB 4.18Å; A24-R31 HydrophobicContact CB-CG 4.23Å; A24-R31 WeakPolarHBondContact O-CB 3.42Å; A24-R31 WeakPolarHBondContact O-CD 3.36Å; Y27-R31 PolarHBondContact O-N 3.45Å; P28-R31 WeakPolarHBondContact O-CB 3.16Å; P28-R31 PolarHBondContact O-N 3.01Å; E29-R31 VanDerWaalsContact C-N 3.33Å; E29-R31 PolarHBondContact O-N 3.36Å; R31-H33 PolarHBondContact O-N 2.9Å; R31-H33 VanDerWaalsContact O-N 3.11Å; R31-C34 WeakPolarHBondContact O-CB 3.38Å; R31-C34 PolarHBondContact O-N 3.44Å
32K95.8Very high92.9Very high138 Ų13882.1 Ų82.160%0.641%0.409SS*.THydrogen-bonded Turntrans-59.4-21.2177.7-65.8177.3-173.3170.60113.4P28 E29 F30P28-K32 PolarHBondContact O-N 3.35Å; E29-K32 WeakPolarHBondContact O-CB 3.14Å; E29-K32 PolarHBondContact O-N 3.49Å; E29-K32 VanDerWaalsContact OE1-CE 3.27Å; E29-K32 WeakPolarHBondContact OE1-CE 3.49Å; E29-K32 IonicContact OE1-NZ 2.68Å; E29-K32 PolarHBondContact OE1-NZ 2.75Å; E29-K32 WeakPolarHBondContact OE2-CE 3.25Å; E29-K32 IonicContact OE2-NZ 2.71Å; E29-K32 PolarHBondContact OE2-NZ 3.17Å; F30-K32 VanDerWaalsContact C-N 3.25Å; F30-K32 PolarHBondContact O-N 3.05Å
33H95.8Very high92.8Very high21 Ų2180.7 Ų80.710%0.09740%0.404CS..THydrogen-bonded Turntrans-102.812.9179-53.3-68.2000113.3E29 F30 R31 F44 E50 A51 T54E29-H33 PolarHBondContact O-CD2 3.48Å; E29-H33 VanDerWaalsContact O-CD2 3.29Å; F30-H33 PolarHBondContact O-N 3.44Å; F30-H33 VanDerWaalsContact O-N 3.14Å; R31-H33 PolarHBondContact O-N 2.9Å; R31-H33 VanDerWaalsContact O-N 3.11Å; H33-F44 HydrophobicContact CB-CD2 4.33Å; H33-F44 HydrophobicContact CB-CE2 4.02Å; H33-E50 IonicContact CE1-OE2 3.34Å; H33-A51 HydrophobicContact CB-CB 3.53Å; H33-T54 PolarHBondContact NE2-OG1 3.43Å
34C94.2Very high92.7Very high18 Ų1881.5 Ų81.512%0.12241%0.407CS..EExtended strand (participates in β ladder)trans-117.6130.7-178.9-60.40000110.6F30 R31 L42 H43F30-C34 WeakPolarHBondContact CE1-SG 3.12Å; F30-C34 PolarHBondContact O-SG 3.27Å; F30-C34 VanDerWaalsContact O-SG 3.34Å; R31-C34 WeakPolarHBondContact O-CB 3.38Å; R31-C34 PolarHBondContact O-N 3.44Å; C34-L42 HydrophobicContact CB-CD1 3.97Å; C34-L42 HydrophobicContact CB-CD2 3.96Å; C34-L42 HydrophobicContact CB-CG 3.95Å; C34-H43 CarbonylContact C-O 3.46Å; C34-H43 VanDerWaalsContact CA-O 3.28Å; C34-H43 WeakPolarHBondContact CA-O 3.49Å
35D92Very high92.4Very high119 Ų11984.7 Ų84.764%0.63642%0.423SS*.EExtended strand (participates in β ladder)trans-109.4159.4169.5-65.5-51.3000110L42 H43D35-L42 CarbonylContact O-C 3.42Å; D35-L42 WeakPolarHBondContact O-CA 3.46Å; D35-H43 PolarHBondContact N-O 2.95Å; D35-H43 PolarHBondContact O-N 2.9Å
36M89.3Confident92.3Very high123 Ų12382.7 Ų82.761%0.60641%0.41SS*.EExtended strand (participates in β ladder)trans-115.8133.1170.2-68.6-174.4-120.900109K41M36-K41 WeakPolarHBondContact CA-O 3.41Å
37D87.7Confident92.1Very high50 Ų5082.9 Ų82.927%0.26741%0.409SS..  trans-76.2173.4168.566.922.4000111.6F39 G40 K41 H43D37-F39 PolarHBondContact O-N 3.13Å; D37-F39 WeakPolarHBondContact OD1-CA 3.4Å; D37-F39 WeakPolarHBondContact OD1-CB 3.44Å; D37-F39 PolarHBondContact OD1-N 3.32Å; D37-G40 PolarHBondContact O-N 2.97Å; D37-G40 PolarHBondContact OD1-N 3.12Å; D37-K41 PolarHBondContact N-O 3.44Å; D37-K41 WeakPolarHBondContact OD1-CB 3.46Å; D37-K41 PolarHBondContact OD1-N 2.98Å; D37-K41 WeakPolarHBondContact OD2-CB 3.17Å; D37-H43 IonicContact OD2-CD2 3.82Å; D37-H43 IonicContact OD2-CE1 3.98Å; D37-H43 IonicContact OD2-NE2 3.16Å; D37-H43 PolarHBondContact OD2-NE2 3.46Å
38T88.7Confident91.9Very high138 Ų13882.8 Ų82.885%0.84741%0.412SS*.THydrogen-bonded Turntrans-60.9-15.5179.250.60000113.9
39F88Confident91.8Very high185 Ų18581.1 Ų81.181%0.81140%0.401SS*.THydrogen-bonded Turntrans-97.55.8176.8-57.3-77.6000112.8D37 K41D37-F39 PolarHBondContact O-N 3.13Å; D37-F39 WeakPolarHBondContact OD1-CA 3.4Å; D37-F39 WeakPolarHBondContact OD1-CB 3.44Å; D37-F39 PolarHBondContact OD1-N 3.32Å; F39-K41 VanDerWaalsContact C-N 3.28Å; F39-K41 PolarHBondContact O-N 3.4Å
40G83.7Confident91.8Very high36 Ų3682 Ų8237%0.37141%0.405SS..SBendtrans73.218.3-179.600000113.8K21 D37K21-G40 PolarHBondContact NZ-O 3.2Å; D37-G40 PolarHBondContact O-N 2.97Å; D37-G40 PolarHBondContact OD1-N 3.12Å
41K86.5Confident91.8Very high130 Ų13082 Ų8257%0.56541%0.405SS*.  trans-84.7125.7170.6-174.8-178.1178.8-179.60108.6M36 D37 F39 H43M36-K41 WeakPolarHBondContact CA-O 3.41Å; D37-K41 PolarHBondContact N-O 3.44Å; D37-K41 WeakPolarHBondContact OD1-CB 3.46Å; D37-K41 PolarHBondContact OD1-N 2.98Å; D37-K41 WeakPolarHBondContact OD2-CB 3.17Å; F39-K41 VanDerWaalsContact C-N 3.28Å; F39-K41 PolarHBondContact O-N 3.4Å; K41-H43 PolarHBondContact O-CD2 2.69Å
42L91.2Very high91.8Very high28 Ų2875.9 Ų75.915%0.14738%0.382CS..EExtended strand (participates in β ladder)trans-77.2127.3176.6-174.1151.9000109.5F20 K21 A24 C34 D35 F44F20-L42 HydrophobicContact CB-CD2 3.77Å; F20-L42 HydrophobicContact CD2-CD2 4.41Å; K21-L42 HydrophobicContact CG-CB 4.21Å; K21-L42 HydrophobicContact CG-CD1 4.47Å; A24-L42 HydrophobicContact CB-CD1 3.66Å; C34-L42 HydrophobicContact CB-CD1 3.97Å; C34-L42 HydrophobicContact CB-CD2 3.96Å; C34-L42 HydrophobicContact CB-CG 3.95Å; D35-L42 CarbonylContact O-C 3.42Å; D35-L42 WeakPolarHBondContact O-CA 3.46Å; L42-F44 HydrophobicContact CD2-CB 4.46Å
43H92.8Very high91.9Very high86 Ų8670.2 Ų70.240%0.39836%0.359SS..EExtended strand (participates in β ladder)trans-107.7135172.9-66.4-78.2000108.8C34 D35 D37 K41C34-H43 CarbonylContact C-O 3.46Å; C34-H43 VanDerWaalsContact CA-O 3.28Å; C34-H43 WeakPolarHBondContact CA-O 3.49Å; D35-H43 PolarHBondContact N-O 2.95Å; D35-H43 PolarHBondContact O-N 2.9Å; D37-H43 IonicContact OD2-CD2 3.82Å; D37-H43 IonicContact OD2-CE1 3.98Å; D37-H43 IonicContact OD2-NE2 3.16Å; D37-H43 PolarHBondContact OD2-NE2 3.46Å; K41-H43 PolarHBondContact O-CD2 2.69Å
44F93.6Very high91.9Very high19 Ų1970.1 Ų70.18%0.08336%0.359CS..EExtended strand (participates in β ladder)trans-120.4129.9176.9171.4-92.5000108.3F20 F30 H33 L42 F46 A51 L55F20-F44 HydrophobicContact CD2-CB 3.57Å; F20-F44 HydrophobicContact CD2-CD1 4.5Å; F20-F44 HydrophobicContact CD2-CG 4.03Å; F20-F44 HydrophobicContact CE2-CB 3.55Å; F20-F44 AromaticContact CE2-CD1 3.67Å; F20-F44 HydrophobicContact CE2-CD1 3.67Å; F20-F44 HydrophobicContact CE2-CD2 4.45Å; F20-F44 HydrophobicContact CE2-CE1 4.48Å; F20-F44 AromaticContact CE2-CG 3.63Å; F20-F44 HydrophobicContact CE2-CG 3.63Å; F20-F44 HydrophobicContact CZ-CD1 4.24Å; F20-F44 HydrophobicContact CZ-CG 4.44Å; F30-F44 HydrophobicContact CD2-CE2 4.02Å; F30-F44 HydrophobicContact CE1-CD2 4.49Å; F30-F44 AromaticContact CE2-CD2 3.65Å; F30-F44 HydrophobicContact CE2-CD2 3.65Å; F30-F44 AromaticContact CE2-CE2 3.34Å; F30-F44 HydrophobicContact CE2-CE2 3.34Å; F30-F44 HydrophobicContact CE2-CZ 4.08Å; F30-F44 AromaticContact CZ-CD2 3.64Å; F30-F44 HydrophobicContact CZ-CD2 3.64Å; F30-F44 AromaticContact CZ-CE2 3.86Å; F30-F44 HydrophobicContact CZ-CE2 3.86Å; F30-F44 HydrophobicContact CZ-CG 4.37Å; H33-F44 HydrophobicContact CB-CD2 4.33Å; H33-F44 HydrophobicContact CB-CE2 4.02Å; L42-F44 HydrophobicContact CD2-CB 4.46Å; F44-F46 AromaticContact CD1-CD1 3.91Å; F44-F46 HydrophobicContact CD1-CD1 3.91Å; F44-F46 AromaticContact CD1-CD2 3.77Å; F44-F46 HydrophobicContact CD1-CD2 3.77Å; F44-F46 AromaticContact CD1-CE1 3.86Å; F44-F46 HydrophobicContact CD1-CE1 3.86Å; F44-F46 AromaticContact CD1-CE2 3.73Å; F44-F46 HydrophobicContact CD1-CE2 3.73Å; F44-F46 AromaticContact CD1-CG 3.87Å; F44-F46 HydrophobicContact CD1-CG 3.87Å; F44-F46 AromaticContact CD1-CZ 3.79Å; F44-F46 HydrophobicContact CD1-CZ 3.79Å; F44-F46 AromaticContact CE1-CD1 3.73Å; F44-F46 HydrophobicContact CE1-CD1 3.73Å; F44-F46 HydrophobicContact CE1-CD2 4.4Å; F44-F46 AromaticContact CE1-CE1 3.83Å; F44-F46 HydrophobicContact CE1-CE1 3.83Å; F44-F46 HydrophobicContact CE1-CE2 4.5Å; F44-F46 HydrophobicContact CE1-CG 4.04Å; F44-F46 HydrophobicContact CE1-CZ 4.24Å; F44-F46 WeakPolarHBondContact O-CD2 3.44Å; F44-F46 PolarHBondContact O-N 3.42Å; F44-A51 HydrophobicContact CE1-CB 4.48Å; F44-A51 HydrophobicContact CE2-CB 3.95Å; F44-A51 HydrophobicContact CZ-CB 3.78Å; F44-A51 VanDerWaalsContact CZ-O 3.26Å; F44-A51 WeakPolarHBondContact CZ-O 3.24Å; F44-L55 HydrophobicContact CE1-CB 4.38Å; F44-L55 HydrophobicContact CE1-CD2 3.9Å; F44-L55 HydrophobicContact CE2-CB 4.31Å; F44-L55 HydrophobicContact CZ-CB 3.68Å; F44-L55 HydrophobicContact CZ-CD2 4.04Å; F44-L55 HydrophobicContact CZ-CG 4.42Å
45D90.6Very high92.1Very high75 Ų7569.9 Ų69.940%0.40136%0.357SS..  trans-81.288.8-175.4-173.16.2000112K47 N48 A51D45-K47 PolarHBondContact O-N 2.86Å; D45-K47 VanDerWaalsContact O-N 3.16Å; D45-K47 WeakPolarHBondContact OD1-CA 3.5Å; D45-K47 VanDerWaalsContact OD1-CB 3.29Å; D45-K47 WeakPolarHBondContact OD1-CB 3.4Å; D45-K47 PolarHBondContact OD1-N 2.82Å; D45-N48 HydrophobicContact CB-CB 4.17Å; D45-N48 PolarHBondContact O-N 2.95Å; D45-N48 PolarHBondContact OD1-N 3.41Å; D45-N48 WeakPolarHBondContact OD2-CB 3.49Å; D45-A51 WeakPolarHBondContact O-CB 3.31Å
46F92.4Very high92.3Very high83 Ų8364.4 Ų64.436%0.36433%0.327SS..THydrogen-bonded Turntrans-63.2-16.6173.3-73.3-80.3000113.7F20 F44 V52 L55 H203 S204 A205F20-F46 HydrophobicContact CE2-CE1 4.37Å; F20-F46 AromaticContact CE2-CE2 3.9Å; F20-F46 HydrophobicContact CE2-CE2 3.9Å; F20-F46 AromaticContact CE2-CZ 3.49Å; F20-F46 HydrophobicContact CE2-CZ 3.49Å; F20-F46 VanDerWaalsContact CE2-CZ 3.49Å; F20-F46 HydrophobicContact CZ-CE1 4.16Å; F20-F46 HydrophobicContact CZ-CE2 4.43Å; F20-F46 AromaticContact CZ-CZ 3.57Å; F20-F46 HydrophobicContact CZ-CZ 3.57Å; F44-F46 AromaticContact CD1-CD1 3.91Å; F44-F46 HydrophobicContact CD1-CD1 3.91Å; F44-F46 AromaticContact CD1-CD2 3.77Å; F44-F46 HydrophobicContact CD1-CD2 3.77Å; F44-F46 AromaticContact CD1-CE1 3.86Å; F44-F46 HydrophobicContact CD1-CE1 3.86Å; F44-F46 AromaticContact CD1-CE2 3.73Å; F44-F46 HydrophobicContact CD1-CE2 3.73Å; F44-F46 AromaticContact CD1-CG 3.87Å; F44-F46 HydrophobicContact CD1-CG 3.87Å; F44-F46 AromaticContact CD1-CZ 3.79Å; F44-F46 HydrophobicContact CD1-CZ 3.79Å; F44-F46 AromaticContact CE1-CD1 3.73Å; F44-F46 HydrophobicContact CE1-CD1 3.73Å; F44-F46 HydrophobicContact CE1-CD2 4.4Å; F44-F46 AromaticContact CE1-CE1 3.83Å; F44-F46 HydrophobicContact CE1-CE1 3.83Å; F44-F46 HydrophobicContact CE1-CE2 4.5Å; F44-F46 HydrophobicContact CE1-CG 4.04Å; F44-F46 HydrophobicContact CE1-CZ 4.24Å; F44-F46 WeakPolarHBondContact O-CD2 3.44Å; F44-F46 PolarHBondContact O-N 3.42Å; F46-V52 VanDerWaalsContact O-CG2 3.31Å; F46-V52 WeakPolarHBondContact O-CG2 3.45Å; F46-L55 HydrophobicContact CE1-CD2 3.95Å; F46-H203 WeakPolarHBondContact CB-O 3.46Å; F46-S204 CarbonylContact O-C 3.53Å; F46-S204 WeakPolarHBondContact O-CA 3.44Å; F46-S204 WeakPolarHBondContact O-CB 3.41Å; F46-S204 PolarHBondContact O-OG 2.96Å; F46-A205 PolarHBondContact O-N 2.75Å
47K91.6Very high92.7Very high114 Ų11461.6 Ų61.650%0.49631%0.312SS..THydrogen-bonded Turntrans-87-8.6178.7-64-175169.6-170.80112.8D45 P49 D201 A205D45-K47 PolarHBondContact O-N 2.86Å; D45-K47 VanDerWaalsContact O-N 3.16Å; D45-K47 WeakPolarHBondContact OD1-CA 3.5Å; D45-K47 VanDerWaalsContact OD1-CB 3.29Å; D45-K47 WeakPolarHBondContact OD1-CB 3.4Å; D45-K47 PolarHBondContact OD1-N 2.82Å; K47-P49 WeakPolarHBondContact O-CD 3.37Å; K47-D201 VanDerWaalsContact CE-OD1 3.24Å; K47-D201 WeakPolarHBondContact CE-OD1 3.25Å; K47-D201 IonicContact NZ-OD1 3.77Å; K47-D201 PolarHBondContact NZ-OD1 2.92Å; K47-D201 IonicContact NZ-OD2 3.75Å; K47-A205 WeakPolarHBondContact O-CB 3.38Å
48N93.2Very high93.2Very high49 Ų4959.5 Ų59.526%0.26230%0.301SS..  trans-87.5119.3170.7-179.4-12.1000110.4D45 E50 A51 V52D45-N48 HydrophobicContact CB-CB 4.17Å; D45-N48 PolarHBondContact O-N 2.95Å; D45-N48 PolarHBondContact OD1-N 3.41Å; D45-N48 WeakPolarHBondContact OD2-CB 3.49Å; N48-E50 VanDerWaalsContact C-N 3.3Å; N48-E50 PolarHBondContact O-N 3.39Å; N48-E50 WeakPolarHBondContact OD1-CB 3.09Å; N48-E50 PolarHBondContact OD1-N 2.81Å; N48-A51 HydrophobicContact CB-CB 3.77Å; N48-A51 WeakPolarHBondContact O-CB 3.4Å; N48-A51 PolarHBondContact O-N 2.9Å; N48-V52 WeakPolarHBondContact O-CG2 3.49Å; N48-V52 PolarHBondContact O-N 2.84Å
49P93.4Very high93.7Very high56 Ų5653.2 Ų53.236%0.36426%0.262SS..Hα-helixtrans-57-38.7176.5-23.131.9000114.2K47 V52 L53 A205 V207K47-P49 WeakPolarHBondContact O-CD 3.37Å; P49-V52 WeakPolarHBondContact O-CB 3.48Å; P49-V52 PolarHBondContact O-N 3.47Å; P49-L53 WeakPolarHBondContact O-CB 3.4Å; P49-L53 PolarHBondContact O-N 3.18Å; P49-A205 HydrophobicContact CB-CB 4.26Å; P49-A205 HydrophobicContact CG-CB 3.82Å; P49-V207 HydrophobicContact CB-CG2 3.61Å; P49-V207 HydrophobicContact CG-CG2 3.62Å
50E95.4Very high94.2Very high123 Ų12344.4 Ų44.458%0.57522%0.224SC*.Hα-helixtrans-68.4-43.2179.7-168.9-178.2-171.600110.6H33 N48 V52 L53 T54H33-E50 IonicContact CE1-OE2 3.34Å; N48-E50 VanDerWaalsContact C-N 3.3Å; N48-E50 PolarHBondContact O-N 3.39Å; N48-E50 WeakPolarHBondContact OD1-CB 3.09Å; N48-E50 PolarHBondContact OD1-N 2.81Å; E50-V52 VanDerWaalsContact C-N 3.31Å; E50-V52 PolarHBondContact O-N 2.65Å; E50-L53 WeakPolarHBondContact O-CB 3.47Å; E50-L53 PolarHBondContact O-N 3.4Å; E50-L53 VanDerWaalsContact O-N 3.16Å; E50-T54 PolarHBondContact O-N 2.78Å; E50-T54 PolarHBondContact O-OG1 3.18Å; E50-T54 VanDerWaalsContact O-OG1 3.05Å
51A96.1Very high94.9Very high0 Ų046.5 Ų46.50%022%0.224CC..Hα-helixtrans-56.8-48.6174.300000111.2H33 F44 D45 N48 L53 T54 L55H33-A51 HydrophobicContact CB-CB 3.53Å; F44-A51 HydrophobicContact CE1-CB 4.48Å; F44-A51 HydrophobicContact CE2-CB 3.95Å; F44-A51 HydrophobicContact CZ-CB 3.78Å; F44-A51 VanDerWaalsContact CZ-O 3.26Å; F44-A51 WeakPolarHBondContact CZ-O 3.24Å; D45-A51 WeakPolarHBondContact O-CB 3.31Å; N48-A51 HydrophobicContact CB-CB 3.77Å; N48-A51 WeakPolarHBondContact O-CB 3.4Å; N48-A51 PolarHBondContact O-N 2.9Å; A51-L53 VanDerWaalsContact C-N 3.33Å; A51-L53 PolarHBondContact O-N 3.14Å; A51-T54 PolarHBondContact O-N 3.44Å; A51-L55 PolarHBondContact O-N 2.99Å
52V95.9Very high95.4Very high2 Ų244.2 Ų44.21%0.01221%0.214CC..Hα-helixtrans-56-45.5175.7151.70000112.4F46 N48 P49 E50 L55 T56 V76 R78 S204F46-V52 VanDerWaalsContact O-CG2 3.31Å; F46-V52 WeakPolarHBondContact O-CG2 3.45Å; N48-V52 WeakPolarHBondContact O-CG2 3.49Å; N48-V52 PolarHBondContact O-N 2.84Å; P49-V52 WeakPolarHBondContact O-CB 3.48Å; P49-V52 PolarHBondContact O-N 3.47Å; E50-V52 VanDerWaalsContact C-N 3.31Å; E50-V52 PolarHBondContact O-N 2.65Å; V52-L55 PolarHBondContact O-N 3.01Å; V52-T56 PolarHBondContact O-N 3.24Å; V52-T56 VanDerWaalsContact O-N 3.07Å; V52-T56 PolarHBondContact O-OG1 2.79Å; V52-V76 HydrophobicContact CG1-CB 3.96Å; V52-V76 HydrophobicContact CG1-CG1 3.77Å; V52-V76 HydrophobicContact CG1-CG2 4.34Å; V52-R78 VanDerWaalsContact CG2-NH1 3.3Å; V52-S204 WeakPolarHBondContact CG2-OG 3.27Å
53L97Very high95.7Very high20 Ų2045 Ų4511%0.10522%0.218CC..Hα-helixtrans-61.8-48.5176.8174.158.6000110.8P49 E50 A51 L55 T56 K57 I70 V76P49-L53 WeakPolarHBondContact O-CB 3.4Å; P49-L53 PolarHBondContact O-N 3.18Å; E50-L53 WeakPolarHBondContact O-CB 3.47Å; E50-L53 PolarHBondContact O-N 3.4Å; E50-L53 VanDerWaalsContact O-N 3.16Å; A51-L53 VanDerWaalsContact C-N 3.33Å; A51-L53 PolarHBondContact O-N 3.14Å; L53-L55 PolarHBondContact O-N 2.89Å; L53-T56 PolarHBondContact O-N 3.08Å; L53-T56 VanDerWaalsContact O-N 3.15Å; L53-K57 HydrophobicContact CD1-CD 4.34Å; L53-K57 HydrophobicContact CD1-CG 4.28Å; L53-K57 HydrophobicContact CG-CD 4.43Å; L53-K57 PolarHBondContact O-N 2.84Å; L53-I70 HydrophobicContact CD1-CB 3.73Å; L53-I70 HydrophobicContact CD1-CD1 4.09Å; L53-I70 HydrophobicContact CD1-CG1 4.27Å; L53-I70 HydrophobicContact CD1-CG2 4.37Å; L53-V76 HydrophobicContact CB-CG2 4.13Å; L53-V76 HydrophobicContact CD1-CG1 4.37Å; L53-V76 HydrophobicContact CD1-CG2 4.08Å
54T97.2Very high96Very high19 Ų1942.2 Ų42.212%0.11721%0.205CC..Hα-helixtrans-59.4-45.2177.8-59.50000111.2E29 F30 H33 E50 A51 T56 K57 T58E29-T54 HydrophobicContact CB-CG2 4.18Å; F30-T54 HydrophobicContact CB-CG2 4.12Å; H33-T54 PolarHBondContact NE2-OG1 3.43Å; E50-T54 PolarHBondContact O-N 2.78Å; E50-T54 PolarHBondContact O-OG1 3.18Å; E50-T54 VanDerWaalsContact O-OG1 3.05Å; A51-T54 PolarHBondContact O-N 3.44Å; T54-T56 VanDerWaalsContact C-N 3.34Å; T54-T56 PolarHBondContact O-N 3.49Å; T54-K57 PolarHBondContact O-N 2.89Å; T54-T58 WeakPolarHBondContact O-CB 3.39Å; T54-T58 PolarHBondContact O-N 3.17Å; T54-T58 PolarHBondContact O-OG1 3.36Å
55L97.4Very high96.2Very high13 Ų1343.1 Ų43.17%0.06822%0.22CC..Hα-helixtrans-56.7-46.6174173.761.8000111.6F20 L23 F30 F44 F46 A51 V52 L53 T58 L59F20-L55 HydrophobicContact CE1-CD1 3.7Å; F20-L55 HydrophobicContact CE1-CD2 4.34Å; F20-L55 HydrophobicContact CZ-CD1 4.02Å; F20-L55 HydrophobicContact CZ-CD2 3.86Å; L23-L55 HydrophobicContact CD1-CD1 4.05Å; F30-L55 HydrophobicContact CD2-CB 4.34Å; F30-L55 HydrophobicContact CD2-CD1 4.36Å; F30-L55 HydrophobicContact CE2-CB 3.97Å; F30-L55 HydrophobicContact CE2-CD1 3.61Å; F30-L55 HydrophobicContact CE2-CG 4.32Å; F30-L55 HydrophobicContact CZ-CD1 4.32Å; F44-L55 HydrophobicContact CE1-CB 4.38Å; F44-L55 HydrophobicContact CE1-CD2 3.9Å; F44-L55 HydrophobicContact CE2-CB 4.31Å; F44-L55 HydrophobicContact CZ-CB 3.68Å; F44-L55 HydrophobicContact CZ-CD2 4.04Å; F44-L55 HydrophobicContact CZ-CG 4.42Å; F46-L55 HydrophobicContact CE1-CD2 3.95Å; A51-L55 PolarHBondContact O-N 2.99Å; V52-L55 PolarHBondContact O-N 3.01Å; L53-L55 PolarHBondContact O-N 2.89Å; L55-T58 PolarHBondContact O-N 2.61Å; L55-L59 HydrophobicContact CD1-CD1 3.92Å; L55-L59 HydrophobicContact CD1-CD2 4.32Å; L55-L59 HydrophobicContact CD1-CG 3.88Å; L55-L59 HydrophobicContact CG-CD1 4.19Å; L55-L59 HydrophobicContact CG-CG 4.46Å; L55-L59 VanDerWaalsContact O-CG 3.28Å; L55-L59 WeakPolarHBondContact O-CG 3.39Å; L55-L59 PolarHBondContact O-N 2.88Å
56T97.5Very high96.6Very high3 Ų339.6 Ų39.62%0.01820%0.201CC..Hα-helixtrans-61.5-46.6178.5-75.40000111.8V52 L53 T54 L59 L60 I70 V76 P77 I79V52-T56 PolarHBondContact O-N 3.24Å; V52-T56 VanDerWaalsContact O-N 3.07Å; V52-T56 PolarHBondContact O-OG1 2.79Å; L53-T56 PolarHBondContact O-N 3.08Å; L53-T56 VanDerWaalsContact O-N 3.15Å; T54-T56 VanDerWaalsContact C-N 3.34Å; T54-T56 PolarHBondContact O-N 3.49Å; T56-L59 PolarHBondContact O-N 3.24Å; T56-L60 HydrophobicContact CG2-CD1 3.99Å; T56-L60 WeakPolarHBondContact O-CG 3.38Å; T56-L60 PolarHBondContact O-N 2.74Å; T56-L60 VanDerWaalsContact O-N 3.08Å; T56-I70 HydrophobicContact CG2-CD1 4.19Å; T56-V76 HydrophobicContact CG2-CG1 4.06Å; T56-V76 WeakPolarHBondContact OG1-CG1 3.28Å; T56-P77 HydrophobicContact CG2-CG 4.03Å; T56-P77 VanDerWaalsContact CG2-O 3.32Å; T56-P77 WeakPolarHBondContact CG2-O 3.37Å; T56-P77 PolarHBondContact OG1-O 3.25Å; T56-I79 HydrophobicContact CG2-CD1 4.01Å; T56-I79 HydrophobicContact CG2-CG1 4.37Å
57K98Very high96.8Very high64 Ų6440.6 Ų40.628%0.27821%0.205SC..Hα-helixtrans-60.7-46.7176.6-70-175.8170.3-176.30111.5L53 T54 L59 L60 E61 V68 D69L53-K57 HydrophobicContact CD1-CD 4.34Å; L53-K57 HydrophobicContact CD1-CG 4.28Å; L53-K57 HydrophobicContact CG-CD 4.43Å; L53-K57 PolarHBondContact O-N 2.84Å; T54-K57 PolarHBondContact O-N 2.89Å; K57-L59 PolarHBondContact O-N 3.22Å; K57-L60 PolarHBondContact O-N 3Å; K57-E61 PolarHBondContact O-N 3.37Å; K57-V68 VanDerWaalsContact CE-O 3.26Å; K57-V68 WeakPolarHBondContact CE-O 3.42Å; K57-V68 WeakPolarHBondContact CG-O 3.3Å; K57-D69 IonicContact NZ-OD1 2.77Å; K57-D69 PolarHBondContact NZ-OD1 3.4Å
58T98.1Very high97.2Very high7 Ų735.6 Ų35.64%0.04318%0.184CC..Hα-helixtrans-60.5-43.1178.3-63.60000112.5L23 Y27 T54 L55 K62L23-T58 HydrophobicContact CD1-CG2 4.35Å; L23-T58 HydrophobicContact CD2-CG2 3.91Å; Y27-T58 HydrophobicContact CD1-CG2 3.88Å; Y27-T58 HydrophobicContact CD2-CG2 3.64Å; Y27-T58 HydrophobicContact CE1-CG2 4.25Å; Y27-T58 HydrophobicContact CE2-CG2 4.04Å; Y27-T58 HydrophobicContact CG-CG2 3.56Å; T54-T58 WeakPolarHBondContact O-CB 3.39Å; T54-T58 PolarHBondContact O-N 3.17Å; T54-T58 PolarHBondContact O-OG1 3.36Å; L55-T58 PolarHBondContact O-N 2.61Å; T58-K62 WeakPolarHBondContact O-CB 3.45Å; T58-K62 PolarHBondContact O-N 3.3Å
59L98.2Very high97.4Very high6 Ų636 Ų363%0.03119%0.186CC..Hα-helixtrans-66.4-38.9177.4-69.2-178.8000112.1Y13 P18 L23 L55 T56 K57 D63 I79Y13-L59 HydrophobicContact CE1-CD2 4.31Å; P18-L59 HydrophobicContact CB-CD2 3.92Å; P18-L59 HydrophobicContact CG-CD1 4.19Å; P18-L59 HydrophobicContact CG-CD2 3.82Å; L23-L59 HydrophobicContact CD1-CD2 4.17Å; L55-L59 HydrophobicContact CD1-CD1 3.92Å; L55-L59 HydrophobicContact CD1-CD2 4.32Å; L55-L59 HydrophobicContact CD1-CG 3.88Å; L55-L59 HydrophobicContact CG-CD1 4.19Å; L55-L59 HydrophobicContact CG-CG 4.46Å; L55-L59 VanDerWaalsContact O-CG 3.28Å; L55-L59 WeakPolarHBondContact O-CG 3.39Å; L55-L59 PolarHBondContact O-N 2.88Å; T56-L59 PolarHBondContact O-N 3.24Å; K57-L59 PolarHBondContact O-N 3.22Å; L59-D63 WeakPolarHBondContact O-CB 3.47Å; L59-D63 PolarHBondContact O-N 3.24Å; L59-I79 HydrophobicContact CB-CG1 4.29Å
60L98.5Very high97.5Very high0 Ų033.5 Ų33.50%017%0.17CC..Hα-helixtrans-63.4-45.3177-77.3167.1000112.3T56 K57 F64 G65 L66 V68 I79 I114 L118T56-L60 HydrophobicContact CG2-CD1 3.99Å; T56-L60 WeakPolarHBondContact O-CG 3.38Å; T56-L60 PolarHBondContact O-N 2.74Å; T56-L60 VanDerWaalsContact O-N 3.08Å; K57-L60 PolarHBondContact O-N 3Å; L60-F64 HydrophobicContact CD2-CD2 4.38Å; L60-F64 CarbonylContact O-C 3.55Å; L60-F64 WeakPolarHBondContact O-CA 3.17Å; L60-F64 WeakPolarHBondContact O-CB 3.43Å; L60-F64 PolarHBondContact O-N 3.34Å; L60-F64 VanDerWaalsContact O-N 3.13Å; L60-G65 PolarHBondContact O-N 3.32Å; L60-G65 VanDerWaalsContact O-N 3.17Å; L60-L66 CarbonylContact C-O 3.44Å; L60-L66 HydrophobicContact CB-CB 4.13Å; L60-L66 HydrophobicContact CD2-CB 4.29Å; L60-L66 HydrophobicContact CD2-CD1 3.94Å; L60-L66 PolarHBondContact O-N 3.08Å; L60-V68 HydrophobicContact CD1-CB 3.95Å; L60-V68 HydrophobicContact CD1-CG2 3.84Å; L60-I79 HydrophobicContact CD1-CD1 4.01Å; L60-I79 HydrophobicContact CD2-CD1 3.76Å; L60-I79 HydrophobicContact CD2-CG1 4.49Å; L60-I79 HydrophobicContact CG-CD1 3.73Å; L60-I79 HydrophobicContact CG-CG1 4.25Å; L60-I114 HydrophobicContact CD1-CD1 3.9Å; L60-I114 HydrophobicContact CD2-CD1 3.7Å; L60-I114 HydrophobicContact CG-CD1 4.37Å; L60-L118 HydrophobicContact CD2-CD2 3.81Å; L60-L118 HydrophobicContact CD2-CG 4.32Å
61E97.9Very high97.6Very high80 Ų8028.6 Ų28.637%0.37415%0.149SC..Hα-helixtrans-64.9-54.4177.3-177.5-177.9165.400110.9Y27 K57 D63 G65 L66 F67Y27-E61 HydrophobicContact CE1-CG 4.47Å; K57-E61 PolarHBondContact O-N 3.37Å; E61-D63 PolarHBondContact O-N 3.33Å; E61-G65 VanDerWaalsContact O-CA 3.27Å; E61-G65 WeakPolarHBondContact O-CA 3.19Å; E61-G65 PolarHBondContact O-N 2.92Å; E61-L66 WeakPolarHBondContact CA-O 3.5Å; E61-L66 PolarHBondContact N-O 3.39Å; E61-F67 HydrophobicContact CG-CD1 4.27Å; E61-F67 HydrophobicContact CG-CE1 3.74Å; E61-F67 HydrophobicContact CG-CZ 4.29Å
62K97.5Very high97.4Very high81 Ų8133.5 Ų33.535%0.35218%0.183SC..Hα-helixtrans-62.2-47.8-174.7-178.5-179.9156.9-80.50113.1L23 Y27 T58L23-K62 HydrophobicContact CD2-CD 3.37Å; Y27-K62 HydrophobicContact CE2-CB 4.26Å; Y27-K62 HydrophobicContact CE2-CD 4.09Å; Y27-K62 HydrophobicContact CE2-CG 4.35Å; Y27-K62 WeakPolarHBondContact OH-CA 3.16Å; Y27-K62 VanDerWaalsContact OH-CB 3.25Å; Y27-K62 WeakPolarHBondContact OH-CB 3.48Å; T58-K62 WeakPolarHBondContact O-CB 3.45Å; T58-K62 PolarHBondContact O-N 3.3Å
63D97.6Very high97.3Very high46 Ų4637 Ų3725%0.24620%0.202CC..Hα-helixtrans-98.5-18.3-166.4-60.6-35.4000112.8I12 Y13 L59 E61I12-D63 HydrophobicContact CD1-CB 3.99Å; Y13-D63 VanDerWaalsContact CE1-OD2 3.25Å; Y13-D63 WeakPolarHBondContact CE1-OD2 3.44Å; Y13-D63 VanDerWaalsContact CZ-OD2 3.3Å; Y13-D63 PolarHBondContact OH-OD2 2.86Å; L59-D63 WeakPolarHBondContact O-CB 3.47Å; L59-D63 PolarHBondContact O-N 3.24Å; E61-D63 PolarHBondContact O-N 3.33Å
64F98.1Very high97.2Very high27 Ų2736.1 Ų36.112%0.11820%0.197CC..Hα-helixtrans-131-4.4-175.5-54.1-81.3000114.2I12 L60 L66 I79 L83 L118 V122I12-F64 HydrophobicContact CD1-CE1 4.24Å; I12-F64 HydrophobicContact CD1-CE2 4.26Å; I12-F64 HydrophobicContact CD1-CZ 3.6Å; L60-F64 HydrophobicContact CD2-CD2 4.38Å; L60-F64 CarbonylContact O-C 3.55Å; L60-F64 WeakPolarHBondContact O-CA 3.17Å; L60-F64 WeakPolarHBondContact O-CB 3.43Å; L60-F64 PolarHBondContact O-N 3.34Å; L60-F64 VanDerWaalsContact O-N 3.13Å; F64-L66 HydrophobicContact CB-CB 4.39Å; F64-L66 HydrophobicContact CB-CD1 3.82Å; F64-L66 HydrophobicContact CB-CG 3.95Å; F64-L66 PolarHBondContact O-N 3.29Å; F64-I79 HydrophobicContact CE2-CG2 3.81Å; F64-I79 HydrophobicContact CZ-CG2 4.35Å; F64-L83 HydrophobicContact CE1-CD2 4.12Å; F64-L83 HydrophobicContact CZ-CD1 3.75Å; F64-L83 HydrophobicContact CZ-CD2 4.01Å; F64-L83 HydrophobicContact CZ-CG 4.39Å; F64-L118 HydrophobicContact CB-CD2 4.45Å; F64-L118 HydrophobicContact CD1-CD2 3.87Å; F64-L118 HydrophobicContact CD2-CD2 3.85Å; F64-L118 HydrophobicContact CE1-CD2 4.1Å; F64-L118 HydrophobicContact CE2-CD2 4.08Å; F64-L118 HydrophobicContact CG-CD2 3.76Å; F64-L118 HydrophobicContact CZ-CD2 4.21Å; F64-V122 HydrophobicContact CD1-CG2 3.9Å; F64-V122 HydrophobicContact CE1-CG2 3.64Å
65G98.1Very high97.1Very high38 Ų3837.1 Ų37.139%0.39220%0.202SC..  trans59.734.4-174.600000112.3L60 E61L60-G65 PolarHBondContact O-N 3.32Å; L60-G65 VanDerWaalsContact O-N 3.17Å; E61-G65 VanDerWaalsContact O-CA 3.27Å; E61-G65 WeakPolarHBondContact O-CA 3.19Å; E61-G65 PolarHBondContact O-N 2.92Å
66L98.6Very high97Very high0 Ų037.3 Ų37.30%020%0.203CC..  trans-107120.7-178-73.1173.1000111.1L60 E61 F64 V68 L117 L118 K121 N147 L149L60-L66 CarbonylContact C-O 3.44Å; L60-L66 HydrophobicContact CB-CB 4.13Å; L60-L66 HydrophobicContact CD2-CB 4.29Å; L60-L66 HydrophobicContact CD2-CD1 3.94Å; L60-L66 PolarHBondContact O-N 3.08Å; E61-L66 WeakPolarHBondContact CA-O 3.5Å; E61-L66 PolarHBondContact N-O 3.39Å; F64-L66 HydrophobicContact CB-CB 4.39Å; F64-L66 HydrophobicContact CB-CD1 3.82Å; F64-L66 HydrophobicContact CB-CG 3.95Å; F64-L66 PolarHBondContact O-N 3.29Å; L66-V68 HydrophobicContact CB-CG2 4.17Å; L66-L117 HydrophobicContact CD1-CB 3.96Å; L66-L117 HydrophobicContact CD2-CB 4.25Å; L66-L117 HydrophobicContact CD2-CD2 4.45Å; L66-L118 HydrophobicContact CD1-CD2 4.04Å; L66-K121 HydrophobicContact CD1-CG 3.93Å; L66-K121 HydrophobicContact CD2-CD 4.36Å; L66-K121 HydrophobicContact CD2-CG 3.8Å; L66-K121 HydrophobicContact CG-CG 3.89Å; L66-N147 VanDerWaalsContact CA-OD1 3.31Å; L66-N147 WeakPolarHBondContact CA-OD1 3.29Å; L66-N147 HydrophobicContact CD2-CB 4.11Å; L66-L149 HydrophobicContact CD2-CD1 4.34Å
67F98.3Very high96.9Very high105 Ų10537.2 Ų37.246%0.46120%0.202SC..  trans-97.6102.8175.3-58.1-84.5000109.1E61 R146 N147E61-F67 HydrophobicContact CG-CD1 4.27Å; E61-F67 HydrophobicContact CG-CE1 3.74Å; E61-F67 HydrophobicContact CG-CZ 4.29Å; F67-R146 HydrophobicContact CB-CG 4.16Å; F67-R146 WeakPolarHBondContact O-CD 3.43Å; F67-N147 PolarHBondContact N-OD1 2.61Å; F67-N147 PolarHBondContact O-ND2 3.26Å
68V98.4Very high96.8Very high9 Ų937.7 Ų37.76%0.05520%0.202CC..  trans-120.4129.1-173-173.70000109.8K57 L60 L66 I70 L117 N143K57-V68 VanDerWaalsContact CE-O 3.26Å; K57-V68 WeakPolarHBondContact CE-O 3.42Å; K57-V68 WeakPolarHBondContact CG-O 3.3Å; L60-V68 HydrophobicContact CD1-CB 3.95Å; L60-V68 HydrophobicContact CD1-CG2 3.84Å; L66-V68 HydrophobicContact CB-CG2 4.17Å; V68-I70 HydrophobicContact CG1-CD1 4.31Å; V68-I70 HydrophobicContact CG1-CG1 3.9Å; V68-L117 HydrophobicContact CG1-CD1 4.39Å; V68-L117 HydrophobicContact CG2-CD1 3.65Å; V68-N143 HydrophobicContact CG1-CB 4.44Å
69D97.4Very high96.7Very high57 Ų5737.4 Ų37.431%0.30520%0.201SC..  trans-103134.7170.9-16827.7000110.3K57 N143K57-D69 IonicContact NZ-OD1 2.77Å; K57-D69 PolarHBondContact NZ-OD1 3.4Å; D69-N143 PolarHBondContact N-OD1 3.47Å; D69-N143 PolarHBondContact O-ND2 3.43Å; D69-N143 PolarHBondContact O-OD1 2.78Å
70I96.9Very high96.6Very high3 Ų338.4 Ų38.42%0.01521%0.207CC..  trans-134.5126.1-175.4-50.3175.2000105.6L53 T56 V68 P77L53-I70 HydrophobicContact CD1-CB 3.73Å; L53-I70 HydrophobicContact CD1-CD1 4.09Å; L53-I70 HydrophobicContact CD1-CG1 4.27Å; L53-I70 HydrophobicContact CD1-CG2 4.37Å; T56-I70 HydrophobicContact CG2-CD1 4.19Å; V68-I70 HydrophobicContact CG1-CD1 4.31Å; V68-I70 HydrophobicContact CG1-CG1 3.9Å; I70-P77 HydrophobicContact CD1-CG 4.18Å
71P95.9Very high96.5Very high20 Ų2038.7 Ų38.713%0.1321%0.21CC..  trans-65.2148.1179.26.91.4000110.1D73 S74 A111 F139P71-D73 WeakPolarHBondContact CB-OD1 3.19Å; P71-D73 PolarHBondContact O-N 3.13Å; P71-S74 VanDerWaalsContact CG-OG 3.29Å; P71-S74 WeakPolarHBondContact CG-OG 3.43Å; P71-S74 PolarHBondContact O-N 3.46Å; P71-A111 VanDerWaalsContact CD-CB 3.46Å; P71-A111 HydrophobicContact CG-CB 3.88Å; P71-F139 HydrophobicContact CB-CE1 4.17Å; P71-F139 HydrophobicContact CB-CE2 4.15Å; P71-F139 HydrophobicContact CB-CZ 3.84Å; P71-F139 HydrophobicContact CG-CD1 3.89Å; P71-F139 HydrophobicContact CG-CD2 3.78Å; P71-F139 HydrophobicContact CG-CE1 3.79Å; P71-F139 HydrophobicContact CG-CE2 3.68Å; P71-F139 HydrophobicContact CG-CG 3.88Å; P71-F139 HydrophobicContact CG-CZ 3.67Å
72S93.8Very high96.5Very high103 Ų10336.3 Ų36.372%0.7220%0.198SC*.THydrogen-bonded Turntrans-64.8-20.6-173.351.90000114V207S72-V207 WeakPolarHBondContact O-CG1 3.25Å
73D93.9Very high96.5Very high77 Ų7732.7 Ų32.741%0.41218%0.182SC..THydrogen-bonded Turntrans-88.9-4.9177.571.3-12.5000113.7P71 G208 K209P71-D73 WeakPolarHBondContact CB-OD1 3.19Å; P71-D73 PolarHBondContact O-N 3.13Å; D73-G208 CarbonylContact O-C 3.08Å; D73-G208 VanDerWaalsContact O-CA 3.23Å; D73-G208 WeakPolarHBondContact O-CA 3.1Å; D73-K209 VanDerWaalsContact CG-CE 3.46Å; D73-K209 PolarHBondContact O-N 2.94Å; D73-K209 VanDerWaalsContact OD1-CE 3.26Å; D73-K209 WeakPolarHBondContact OD1-CE 3.4Å; D73-K209 IonicContact OD1-NZ 3.97Å; D73-K209 WeakPolarHBondContact OD2-CE 3.2Å
74S94.7Very high96.5Very high0 Ų030.6 Ų30.60%017%0.171CC..SBendtrans-101.5158.1-171.2-61.10000112.7P71 V76 K209 E212P71-S74 VanDerWaalsContact CG-OG 3.29Å; P71-S74 WeakPolarHBondContact CG-OG 3.43Å; P71-S74 PolarHBondContact O-N 3.46Å; S74-V76 PolarHBondContact O-N 3.32Å; S74-K209 WeakPolarHBondContact OG-CE 3.15Å; S74-K209 PolarHBondContact OG-NZ 2.9Å; S74-E212 WeakPolarHBondContact CA-OE2 2.77Å
75L93.9Very high96.5Very high41 Ų4129.3 Ų29.322%0.21517%0.166CC..  trans-63.9111.7-176.8-173.366.4000112P77 T206 V207 E212L75-P77 VanDerWaalsContact O-CD 3.3Å; L75-P77 WeakPolarHBondContact O-CD 3.49Å; L75-T206 HydrophobicContact CD1-CG2 3.95Å; L75-V207 VanDerWaalsContact CA-O 3.3Å; L75-V207 WeakPolarHBondContact CA-O 3.38Å; L75-E212 HydrophobicContact CB-CB 4.31Å; L75-E212 PolarHBondContact N-OE2 2.9Å
76V96.1Very high96.5Very high16 Ų1627.5 Ų27.510%0.09715%0.147CC..  trans-75.5115.3177.6-176.50000110.6V52 L53 T56 S74V52-V76 HydrophobicContact CG1-CB 3.96Å; V52-V76 HydrophobicContact CG1-CG1 3.77Å; V52-V76 HydrophobicContact CG1-CG2 4.34Å; L53-V76 HydrophobicContact CB-CG2 4.13Å; L53-V76 HydrophobicContact CD1-CG1 4.37Å; L53-V76 HydrophobicContact CD1-CG2 4.08Å; T56-V76 HydrophobicContact CG2-CG1 4.06Å; T56-V76 WeakPolarHBondContact OG1-CG1 3.28Å; S74-V76 PolarHBondContact O-N 3.32Å
77P95.8Very high96.4Very high1 Ų127.8 Ų27.81%0.00615%0.148CC..  trans-72.3140.4-178.630.6-34.5000111.5T56 I70 L75 R82 I114T56-P77 HydrophobicContact CG2-CG 4.03Å; T56-P77 VanDerWaalsContact CG2-O 3.32Å; T56-P77 WeakPolarHBondContact CG2-O 3.37Å; T56-P77 PolarHBondContact OG1-O 3.25Å; I70-P77 HydrophobicContact CD1-CG 4.18Å; L75-P77 VanDerWaalsContact O-CD 3.3Å; L75-P77 WeakPolarHBondContact O-CD 3.49Å; P77-R82 HydrophobicContact CB-CG 4.04Å; P77-I114 HydrophobicContact CB-CB 4.11Å; P77-I114 HydrophobicContact CB-CG1 3.89Å; P77-I114 HydrophobicContact CB-CG2 3.91Å; P77-I114 HydrophobicContact CG-CB 3.99Å; P77-I114 HydrophobicContact CG-CD1 4.14Å; P77-I114 HydrophobicContact CG-CG1 3.85Å; P77-I114 HydrophobicContact CG-CG2 4.29Å
78R94.9Very high96.4Very high74 Ų7423.7 Ų23.728%0.27913%0.13SC..  trans-96.2101.8176.2-52.5-49.3-175.7132.611.1110.1V52 G81 R82 S204 A205V52-R78 VanDerWaalsContact CG2-NH1 3.3Å; R78-G81 PolarHBondContact O-N 2.77Å; R78-R82 PolarHBondContact O-N 2.98Å; R78-S204 PolarHBondContact NH1-OG 3.13Å; R78-S204 PolarHBondContact NH2-OG 3.21Å; R78-A205 PolarHBondContact NH2-O 3.05Å
79I96.9Very high96.3Very high1 Ų123.3 Ų23.31%0.00513%0.128CC..Hα-helixtrans-48.6-48.3-167.7-52.6-52.2000114Y13 T56 L59 L60 F64 G81 R82 L83 I114 L118Y13-I79 HydrophobicContact CE2-CB 4.39Å; Y13-I79 HydrophobicContact CE2-CG2 3.81Å; T56-I79 HydrophobicContact CG2-CD1 4.01Å; T56-I79 HydrophobicContact CG2-CG1 4.37Å; L59-I79 HydrophobicContact CB-CG1 4.29Å; L60-I79 HydrophobicContact CD1-CD1 4.01Å; L60-I79 HydrophobicContact CD2-CD1 3.76Å; L60-I79 HydrophobicContact CD2-CG1 4.49Å; L60-I79 HydrophobicContact CG-CD1 3.73Å; L60-I79 HydrophobicContact CG-CG1 4.25Å; F64-I79 HydrophobicContact CE2-CG2 3.81Å; F64-I79 HydrophobicContact CZ-CG2 4.35Å; I79-G81 VanDerWaalsContact C-N 3.26Å; I79-G81 PolarHBondContact O-N 3.11Å; I79-R82 PolarHBondContact O-N 3.11Å; I79-L83 HydrophobicContact CG2-CD1 4.05Å; I79-L83 HydrophobicContact CG2-CG 4.2Å; I79-L83 WeakPolarHBondContact O-CG 3.23Å; I79-L83 PolarHBondContact O-N 3.41Å; I79-I114 HydrophobicContact CD1-CD1 3.73Å; I79-I114 HydrophobicContact CD1-CG1 4.28Å; I79-L118 HydrophobicContact CG2-CD1 4.35Å
80P96Very high96.3Very high27 Ų2722 Ų2218%0.17512%0.12CC..Hα-helixtrans-58.6-36.6-178.9-24.433.5000113.8M7 N11 Y13 N84M7-P80 HydrophobicContact CE-CB 3.96Å; N11-P80 PolarHBondContact ND2-O 2.89Å; Y13-P80 HydrophobicContact CD2-CB 3.96Å; Y13-P80 HydrophobicContact CD2-CG 3.68Å; Y13-P80 HydrophobicContact CE2-CG 4.17Å; Y13-P80 HydrophobicContact CG-CB 4.48Å; Y13-P80 HydrophobicContact CG-CG 4.09Å; P80-N84 PolarHBondContact O-N 3.19Å
81G95.7Very high96.2Very high6 Ų624.7 Ų24.76%0.06213%0.134CC..Hα-helixtrans-73.3-33.8177.300000113R78 I79 N84 Y85R78-G81 PolarHBondContact O-N 2.77Å; I79-G81 VanDerWaalsContact C-N 3.26Å; I79-G81 PolarHBondContact O-N 3.11Å; G81-N84 PolarHBondContact O-N 2.88Å; G81-Y85 PolarHBondContact O-N 3.31Å
82R97.5Very high96.2Very high30 Ų3024 Ų2411%0.11313%0.13CC..Hα-helixtrans-68.4-41176-53.9-53.9178-1682.6111.2P77 R78 I79 N84 Y85 L86 I114 Y115 L118 N182P77-R82 HydrophobicContact CB-CG 4.04Å; R78-R82 PolarHBondContact O-N 2.98Å; I79-R82 PolarHBondContact O-N 3.11Å; R82-N84 PolarHBondContact O-N 3.44Å; R82-Y85 PolarHBondContact O-N 2.81Å; R82-L86 PolarHBondContact O-N 3.04Å; R82-L86 VanDerWaalsContact O-N 3.16Å; R82-I114 HydrophobicContact CG-CG1 4.26Å; R82-I114 HydrophobicContact CG-CG2 4.4Å; R82-Y115 HydrophobicContact CB-CD1 4.32Å; R82-Y115 HydrophobicContact CB-CE1 3.8Å; R82-Y115 VanDerWaalsContact CD-CZ 3.49Å; R82-Y115 WeakPolarHBondContact CD-OH 3.46Å; R82-Y115 HydrophobicContact CG-CE1 4.27Å; R82-Y115 PolarHBondContact NH1-OH 2.93Å; R82-L118 HydrophobicContact CB-CD1 4.06Å; R82-N182 PolarHBondContact NH1-ND2 2.61Å; R82-N182 PolarHBondContact NH1-OD1 2.82Å
83L97.8Very high96.4Very high5 Ų519.4 Ų19.43%0.02610%0.096CC..Hα-helixtrans-62.2-40.1173.5-68.5174.1000112.9I12 Y13 F64 I79 Y85 L86 L87 L118 V122I12-L83 HydrophobicContact CG1-CD1 4.29Å; Y13-L83 HydrophobicContact CD2-CD1 3.77Å; Y13-L83 HydrophobicContact CE2-CD1 3.58Å; F64-L83 HydrophobicContact CE1-CD2 4.12Å; F64-L83 HydrophobicContact CZ-CD1 3.75Å; F64-L83 HydrophobicContact CZ-CD2 4.01Å; F64-L83 HydrophobicContact CZ-CG 4.39Å; I79-L83 HydrophobicContact CG2-CD1 4.05Å; I79-L83 HydrophobicContact CG2-CG 4.2Å; I79-L83 WeakPolarHBondContact O-CG 3.23Å; I79-L83 PolarHBondContact O-N 3.41Å; L83-Y85 PolarHBondContact O-N 3Å; L83-L86 PolarHBondContact O-N 3.33Å; L83-L87 HydrophobicContact CB-CD1 4.46Å; L83-L87 WeakPolarHBondContact O-CB 3.24Å; L83-L87 VanDerWaalsContact O-CG 3.23Å; L83-L87 WeakPolarHBondContact O-CG 3.41Å; L83-L87 PolarHBondContact O-N 3.22Å; L83-L118 HydrophobicContact CD2-CD1 4.25Å; L83-L118 HydrophobicContact CD2-CD2 4.42Å; L83-V122 HydrophobicContact CD2-CG2 4Å
84N97.5Very high96.5Very high2 Ų220.2 Ų20.21%0.01110%0.098CC..Hα-helixtrans-56.6-37.7176-81.7-21.7000112.2H8 N11 P80 G81 R82 W88 F267 S268 Q269H8-N84 WeakPolarHBondContact CB-OD1 3.21Å; H8-N84 PolarHBondContact N-OD1 3.38Å; N11-N84 PolarHBondContact ND2-OD1 3.33Å; P80-N84 PolarHBondContact O-N 3.19Å; G81-N84 PolarHBondContact O-N 2.88Å; R82-N84 PolarHBondContact O-N 3.44Å; N84-W88 WeakPolarHBondContact O-CB 3.49Å; N84-W88 PolarHBondContact O-N 3.11Å; N84-F267 HydrophobicContact CB-CB 4.01Å; N84-F267 HydrophobicContact CB-CD1 3.98Å; N84-F267 HydrophobicContact CB-CG 4.07Å; N84-F267 WeakPolarHBondContact O-CE1 3.47Å; N84-S268 PolarHBondContact ND2-O 3.07Å; N84-Q269 PolarHBondContact ND2-OE1 2.84Å
85Y98Very high96.5Very high0 Ų023.3 Ų23.30%011%0.112CC..Hα-helixtrans-70.9-49.7176.8-165.1-175.1000111.5G81 R82 L83 L87 W88 L89 Y115 M180 T241 S242 M243 F267 A276G81-Y85 PolarHBondContact O-N 3.31Å; R82-Y85 PolarHBondContact O-N 2.81Å; L83-Y85 PolarHBondContact O-N 3Å; Y85-L87 VanDerWaalsContact C-N 3.35Å; Y85-L87 PolarHBondContact O-N 3.47Å; Y85-W88 AromaticContact CD2-CE3 3.9Å; Y85-W88 HydrophobicContact CD2-CE3 3.9Å; Y85-W88 HydrophobicContact CD2-CZ3 4.33Å; Y85-W88 AromaticContact CE2-CE3 3.88Å; Y85-W88 HydrophobicContact CE2-CE3 3.88Å; Y85-W88 AromaticContact CE2-CZ3 3.85Å; Y85-W88 HydrophobicContact CE2-CZ3 3.85Å; Y85-W88 PolarHBondContact O-N 2.86Å; Y85-L89 HydrophobicContact CD2-CD1 3.83Å; Y85-L89 HydrophobicContact CD2-CG 3.95Å; Y85-L89 HydrophobicContact CE2-CD1 3.74Å; Y85-L89 HydrophobicContact CE2-CD2 4.04Å; Y85-L89 HydrophobicContact CE2-CG 3.89Å; Y85-L89 HydrophobicContact CG-CD1 4.48Å; Y85-L89 WeakPolarHBondContact O-CG 3.01Å; Y85-L89 PolarHBondContact O-N 3.28Å; Y85-Y115 AromaticContact CD1-CE1 3.99Å; Y85-Y115 HydrophobicContact CD1-CE1 3.99Å; Y85-Y115 AromaticContact CD1-CZ 3.87Å; Y85-M180 HydrophobicContact CD1-CE 3.59Å; Y85-M180 HydrophobicContact CE1-CB 4.16Å; Y85-M180 HydrophobicContact CE1-CE 3.77Å; Y85-M180 HydrophobicContact CG-CE 4.05Å; Y85-T241 PolarHBondContact OH-OG1 3.37Å; Y85-S242 WeakPolarHBondContact OH-CA 3.31Å; Y85-S242 PolarHBondContact OH-N 2.86Å; Y85-M243 HydrophobicContact CD1-CB 4.38Å; Y85-M243 HydrophobicContact CD1-CE 3.32Å; Y85-M243 HydrophobicContact CE1-CB 3.95Å; Y85-M243 HydrophobicContact CE1-CE 4.02Å; Y85-M243 HydrophobicContact CG-CE 3.87Å; Y85-F267 HydrophobicContact CD1-CE2 4.37Å; Y85-F267 AromaticContact CD2-CE2 3.69Å; Y85-F267 HydrophobicContact CD2-CE2 3.69Å; Y85-F267 AromaticContact CD2-CZ 3.48Å; Y85-F267 HydrophobicContact CD2-CZ 3.48Å; Y85-F267 VanDerWaalsContact CD2-CZ 3.48Å; Y85-F267 HydrophobicContact CE2-CE2 4.44Å; Y85-F267 HydrophobicContact CE2-CZ 4.27Å; Y85-F267 AromaticContact CG-CE2 3.65Å; Y85-F267 HydrophobicContact CG-CE2 3.65Å; Y85-F267 AromaticContact CG-CZ 3.86Å; Y85-F267 HydrophobicContact CG-CZ 3.86Å; Y85-A276 HydrophobicContact CE2-CB 4.2Å
86L98.1Very high96.6Very high0 Ų022.8 Ų22.80%011%0.11CC..Hα-helixtrans-58.9-43.1179-74.2171.1000112.8R82 L83 W88 L89 Q90 Y115 L118 W125 F127 M180R82-L86 PolarHBondContact O-N 3.04Å; R82-L86 VanDerWaalsContact O-N 3.16Å; L83-L86 PolarHBondContact O-N 3.33Å; L86-W88 PolarHBondContact O-N 2.9Å; L86-L89 CarbonylContact O-C 3.53Å; L86-L89 WeakPolarHBondContact O-CB 3.36Å; L86-L89 PolarHBondContact O-N 3.25Å; L86-Q90 WeakPolarHBondContact O-CB 3.49Å; L86-Q90 PolarHBondContact O-N 3.02Å; L86-Y115 HydrophobicContact CD1-CD1 4.39Å; L86-Y115 HydrophobicContact CD2-CD1 4.37Å; L86-Y115 HydrophobicContact CG-CD1 4.12Å; L86-L118 HydrophobicContact CD1-CB 3.42Å; L86-L118 VanDerWaalsContact CD1-CB 3.42Å; L86-L118 HydrophobicContact CD1-CD1 4.37Å; L86-W125 HydrophobicContact CD2-CZ3 4.01Å; L86-F127 HydrophobicContact CD2-CZ 4.45Å; L86-M180 HydrophobicContact CD2-CE 4.13Å; L86-M180 HydrophobicContact CD2-SD 4.1Å
87L97.4Very high96.6Very high6 Ų622.2 Ų22.23%0.03111%0.106CC..Hα-helixtrans-69.3-33.3-179.3-66.7169.1000112.5H8 R10 N11 L83 Y85 Q90 D91 V122H8-L87 HydrophobicContact CB-CB 4.18Å; H8-L87 HydrophobicContact CB-CD1 4.05Å; H8-L87 WeakPolarHBondContact ND1-CB 3.37Å; R10-L87 HydrophobicContact CB-CD1 4.11Å; R10-L87 HydrophobicContact CB-CD2 3.94Å; N11-L87 HydrophobicContact CB-CD1 3.85Å; L83-L87 HydrophobicContact CB-CD1 4.46Å; L83-L87 WeakPolarHBondContact O-CB 3.24Å; L83-L87 VanDerWaalsContact O-CG 3.23Å; L83-L87 WeakPolarHBondContact O-CG 3.41Å; L83-L87 PolarHBondContact O-N 3.22Å; Y85-L87 VanDerWaalsContact C-N 3.35Å; Y85-L87 PolarHBondContact O-N 3.47Å; L87-Q90 WeakPolarHBondContact O-CB 3.11Å; L87-Q90 PolarHBondContact O-N 2.92Å; L87-D91 PolarHBondContact O-N 3.04Å; L87-V122 HydrophobicContact CD2-CG1 4.2Å
88W97Very high96.4Very high20 Ų2029.4 Ų29.48%0.07614%0.137CC..Hα-helixtrans-67.6-39.8171.5175.161.6000112.1N84 Y85 L86 Q90 D91 L92 T241 T265 F267 A276 A278N84-W88 WeakPolarHBondContact O-CB 3.49Å; N84-W88 PolarHBondContact O-N 3.11Å; Y85-W88 AromaticContact CD2-CE3 3.9Å; Y85-W88 HydrophobicContact CD2-CE3 3.9Å; Y85-W88 HydrophobicContact CD2-CZ3 4.33Å; Y85-W88 AromaticContact CE2-CE3 3.88Å; Y85-W88 HydrophobicContact CE2-CE3 3.88Å; Y85-W88 AromaticContact CE2-CZ3 3.85Å; Y85-W88 HydrophobicContact CE2-CZ3 3.85Å; Y85-W88 PolarHBondContact O-N 2.86Å; L86-W88 PolarHBondContact O-N 2.9Å; W88-Q90 PolarHBondContact O-N 2.87Å; W88-D91 PolarHBondContact O-N 3.38Å; W88-L92 HydrophobicContact CD2-CD1 4.23Å; W88-L92 HydrophobicContact CE3-CD1 4.37Å; W88-L92 HydrophobicContact CH2-CD1 4.1Å; W88-L92 HydrophobicContact CZ2-CD1 3.87Å; W88-L92 HydrophobicContact CZ3-CD1 4.32Å; W88-L92 PolarHBondContact O-N 2.89Å; W88-T241 HydrophobicContact CZ3-CG2 4.39Å; W88-T265 HydrophobicContact CD2-CG2 3.51Å; W88-T265 VanDerWaalsContact CE2-CG2 3.43Å; W88-T265 HydrophobicContact CE3-CG2 3.98Å; W88-T265 HydrophobicContact CG-CG2 3.86Å; W88-T265 HydrophobicContact CH2-CG2 4.16Å; W88-T265 HydrophobicContact CZ2-CG2 3.77Å; W88-T265 HydrophobicContact CZ3-CG2 4.28Å; W88-F267 HydrophobicContact CB-CE1 3.79Å; W88-F267 HydrophobicContact CB-CZ 4.32Å; W88-F267 HydrophobicContact CD2-CE1 4.29Å; W88-F267 HydrophobicContact CD2-CZ 4.27Å; W88-F267 HydrophobicContact CE3-CE1 4.32Å; W88-F267 AromaticContact CE3-CZ 3.84Å; W88-F267 HydrophobicContact CE3-CZ 3.84Å; W88-F267 HydrophobicContact CG-CE1 4.1Å; W88-F267 HydrophobicContact CG-CZ 4.49Å; W88-A276 HydrophobicContact CE3-CB 4.16Å; W88-A276 HydrophobicContact CH2-CB 4.08Å; W88-A276 HydrophobicContact CZ3-CB 3.63Å; W88-A278 HydrophobicContact CH2-CB 3.54Å; W88-A278 HydrophobicContact CZ2-CB 4.05Å; W88-A278 HydrophobicContact CZ3-CB 4.42Å
89L97.6Very high96.2Very high0 Ų033 Ų330%016%0.162CC..Hα-helixtrans-63.1-35171.6-66.5168.5000110.8Y85 L86 L92 M93 W125 F178 M180 T241Y85-L89 HydrophobicContact CD2-CD1 3.83Å; Y85-L89 HydrophobicContact CD2-CG 3.95Å; Y85-L89 HydrophobicContact CE2-CD1 3.74Å; Y85-L89 HydrophobicContact CE2-CD2 4.04Å; Y85-L89 HydrophobicContact CE2-CG 3.89Å; Y85-L89 HydrophobicContact CG-CD1 4.48Å; Y85-L89 WeakPolarHBondContact O-CG 3.01Å; Y85-L89 PolarHBondContact O-N 3.28Å; L86-L89 CarbonylContact O-C 3.53Å; L86-L89 WeakPolarHBondContact O-CB 3.36Å; L86-L89 PolarHBondContact O-N 3.25Å; L89-L92 HydrophobicContact CD2-CD1 4.39Å; L89-L92 WeakPolarHBondContact O-CB 3.18Å; L89-L92 PolarHBondContact O-N 3.42Å; L89-M93 VanDerWaalsContact O-CG 3.31Å; L89-M93 WeakPolarHBondContact O-CG 3.44Å; L89-M93 PolarHBondContact O-N 3.26Å; L89-W125 HydrophobicContact CB-CH2 3.82Å; L89-W125 HydrophobicContact CB-CZ3 4.16Å; L89-F178 HydrophobicContact CD1-CD2 4.08Å; L89-F178 HydrophobicContact CD1-CE2 3.63Å; L89-F178 HydrophobicContact CD1-CZ 4.19Å; L89-F178 HydrophobicContact CD2-CD2 4.13Å; L89-F178 HydrophobicContact CD2-CE2 4.45Å; L89-F178 HydrophobicContact CG-CE2 4.44Å; L89-M180 HydrophobicContact CD1-CB 3.96Å; L89-M180 HydrophobicContact CD1-CE 3.76Å; L89-M180 HydrophobicContact CD1-SD 3.88Å; L89-T241 HydrophobicContact CD2-CG2 3.58Å
90Q96.9Very high96.2Very high30 Ų3036.9 Ų36.914%0.1418%0.18CC..Hα-helixtrans-64.7-42.4176.9-168.6179.624.700111.9R10 L86 L87 W88 L92 M93 E94 W125R10-Q90 VanDerWaalsContact NH1-CD 3.25Å; L86-Q90 WeakPolarHBondContact O-CB 3.49Å; L86-Q90 PolarHBondContact O-N 3.02Å; L87-Q90 WeakPolarHBondContact O-CB 3.11Å; L87-Q90 PolarHBondContact O-N 2.92Å; W88-Q90 PolarHBondContact O-N 2.87Å; Q90-L92 VanDerWaalsContact C-N 3.28Å; Q90-L92 PolarHBondContact O-N 3.33Å; Q90-M93 PolarHBondContact O-N 3.24Å; Q90-E94 HydrophobicContact CG-CG 4.44Å; Q90-E94 WeakPolarHBondContact CG-OE1 3.27Å; Q90-E94 WeakPolarHBondContact O-CB 3.38Å; Q90-E94 VanDerWaalsContact O-CG 3.31Å; Q90-E94 WeakPolarHBondContact O-CG 3.26Å; Q90-E94 PolarHBondContact O-N 2.8Å; Q90-W125 HydrophobicContact CB-CH2 4Å; Q90-W125 HydrophobicContact CB-CZ2 3.9Å; Q90-W125 HydrophobicContact CG-CZ2 4.14Å
91D95.9Very high96.2Very high60 Ų6043.2 Ų43.232%0.32121%0.207SC..Hα-helixtrans-56.6-44.2171.4-65.1-16.4000111.2H8 R10 L87 W88 E94 E95H8-D91 IonicContact CD2-OD2 2.74Å; H8-D91 IonicContact CE1-OD1 3.38Å; H8-D91 IonicContact CE1-OD2 3.88Å; H8-D91 IonicContact NE2-OD1 3.47Å; H8-D91 PolarHBondContact NE2-OD1 2.72Å; H8-D91 IonicContact NE2-OD2 2.96Å; H8-D91 PolarHBondContact NE2-OD2 3.02Å; R10-D91 IonicContact CZ-OD1 2.78Å; R10-D91 IonicContact NE-OD1 3.26Å; R10-D91 IonicContact NH2-OD1 3.33Å; R10-D91 PolarHBondContact NH2-OD1 3.1Å; L87-D91 PolarHBondContact O-N 3.04Å; W88-D91 PolarHBondContact O-N 3.38Å; D91-E94 PolarHBondContact O-N 3.26Å; D91-E95 WeakPolarHBondContact O-CB 3.32Å; D91-E95 PolarHBondContact O-N 3.49Å
92L95.9Very high96.3Very high6 Ų643.6 Ų43.63%0.03121%0.208CC..Hα-helixtrans-65.4-39.6179-68174.6000112.3W88 L89 Q90 N96 A278 L287W88-L92 HydrophobicContact CD2-CD1 4.23Å; W88-L92 HydrophobicContact CE3-CD1 4.37Å; W88-L92 HydrophobicContact CH2-CD1 4.1Å; W88-L92 HydrophobicContact CZ2-CD1 3.87Å; W88-L92 HydrophobicContact CZ3-CD1 4.32Å; W88-L92 PolarHBondContact O-N 2.89Å; L89-L92 HydrophobicContact CD2-CD1 4.39Å; L89-L92 WeakPolarHBondContact O-CB 3.18Å; L89-L92 PolarHBondContact O-N 3.42Å; Q90-L92 VanDerWaalsContact C-N 3.28Å; Q90-L92 PolarHBondContact O-N 3.33Å; L92-N96 WeakPolarHBondContact O-CB 3.29Å; L92-N96 PolarHBondContact O-N 2.96Å; L92-N96 PolarHBondContact O-ND2 3.08Å; L92-A278 HydrophobicContact CD1-CB 4.13Å; L92-L287 HydrophobicContact CD2-CD2 4.04Å
93M96.7Very high96.3Very high5 Ų544 Ų443%0.02521%0.21CC..Hα-helixtrans-68.6-43.4177.5-65.4-52.295.700111.4L89 Q90 E95 N96 F97 I102 W125 H177 F178 I239L89-M93 VanDerWaalsContact O-CG 3.31Å; L89-M93 WeakPolarHBondContact O-CG 3.44Å; L89-M93 PolarHBondContact O-N 3.26Å; Q90-M93 PolarHBondContact O-N 3.24Å; M93-E95 VanDerWaalsContact C-N 3.26Å; M93-E95 PolarHBondContact O-N 3.45Å; M93-N96 PolarHBondContact O-N 3.48Å; M93-F97 HydrophobicContact CE-CD2 4Å; M93-F97 HydrophobicContact CE-CE2 3.9Å; M93-F97 CarbonylContact O-C 3.39Å; M93-F97 WeakPolarHBondContact O-CA 3.32Å; M93-F97 PolarHBondContact O-N 3.03Å; M93-F97 HydrophobicContact SD-CD2 3.63Å; M93-F97 HydrophobicContact SD-CE2 4.05Å; M93-I102 HydrophobicContact CB-CD1 4.18Å; M93-I102 HydrophobicContact CB-CG1 4.39Å; M93-I102 HydrophobicContact CG-CD1 4.3Å; M93-I102 HydrophobicContact CG-CG1 4.37Å; M93-I102 HydrophobicContact CG-CG2 4.13Å; M93-I102 HydrophobicContact SD-CD1 4.21Å; M93-I102 HydrophobicContact SD-CG2 4.06Å; M93-W125 HydrophobicContact CB-CZ2 4.27Å; M93-W125 HydrophobicContact CG-CH2 4.31Å; M93-W125 HydrophobicContact CG-CZ2 3.78Å; M93-H177 HydrophobicContact SD-CB 3.81Å; M93-F178 HydrophobicContact CE-CB 4.13Å; M93-F178 HydrophobicContact CE-CD1 3.81Å; M93-F178 HydrophobicContact CE-CG 4.28Å; M93-F178 HydrophobicContact CG-CD1 4.09Å; M93-F178 HydrophobicContact CG-CE1 4.12Å; M93-F178 HydrophobicContact SD-CD1 3.45Å; M93-F178 WeakPolarHBondContact SD-CD1 3.32Å; M93-F178 HydrophobicContact SD-CE1 4.05Å; M93-F178 HydrophobicContact SD-CG 4.43Å; M93-I239 HydrophobicContact CE-CD1 3.77Å; M93-I239 HydrophobicContact CE-CG1 4.43Å
94E95.3Very high96.3Very high94 Ų9443.7 Ų43.744%0.43921%0.209SC..Hα-helixtrans-64.2-31.2177.7-73.3167.4177.300112.3R10 Q90 D91R10-E94 IonicContact CZ-OE1 3.12Å; R10-E94 IonicContact CZ-OE2 2.8Å; R10-E94 IonicContact NH1-OE1 3.81Å; R10-E94 PolarHBondContact NH1-OE1 3.26Å; R10-E94 IonicContact NH1-OE2 3.28Å; R10-E94 PolarHBondContact NH1-OE2 2.8Å; R10-E94 IonicContact NH2-OE1 2.98Å; R10-E94 IonicContact NH2-OE2 3.93Å; R10-E94 PolarHBondContact NH2-OE2 3.46Å; Q90-E94 HydrophobicContact CG-CG 4.44Å; Q90-E94 WeakPolarHBondContact CG-OE1 3.27Å; Q90-E94 WeakPolarHBondContact O-CB 3.38Å; Q90-E94 VanDerWaalsContact O-CG 3.31Å; Q90-E94 WeakPolarHBondContact O-CG 3.26Å; Q90-E94 PolarHBondContact O-N 2.8Å; D91-E94 PolarHBondContact O-N 3.26Å
95E95Very high96.3Very high65 Ų6543.6 Ų43.630%0.30421%0.209SC..Hα-helixtrans-77.7-28.9177.3-178.9160.2-149.600113.7D91 M93 R288D91-E95 WeakPolarHBondContact O-CB 3.32Å; D91-E95 PolarHBondContact O-N 3.49Å; M93-E95 VanDerWaalsContact C-N 3.26Å; M93-E95 PolarHBondContact O-N 3.45Å; E95-R288 VanDerWaalsContact CD-NE 3.32Å; E95-R288 IonicContact OE1-CZ 3.22Å; E95-R288 VanDerWaalsContact OE1-CZ 3.22Å; E95-R288 IonicContact OE1-NE 2.76Å; E95-R288 PolarHBondContact OE1-NE 2.95Å; E95-R288 IonicContact OE1-NH2 2.82Å; E95-R288 PolarHBondContact OE1-NH2 3.17Å; E95-R288 IonicContact OE2-CZ 3.73Å; E95-R288 IonicContact OE2-NE 3.08Å; E95-R288 PolarHBondContact OE2-NE 2.75Å; E95-R288 VanDerWaalsContact OE2-NE 3.08Å; E95-R288 IonicContact OE2-NH2 3.8Å
96N96.3Very high96.4Very high31 Ų3143.6 Ų43.617%0.16621%0.209CC..Hα-helixtrans-115.7-31.5-168.3-69-73.3000115.2L92 M93 V285 K286L92-N96 WeakPolarHBondContact O-CB 3.29Å; L92-N96 PolarHBondContact O-N 2.96Å; L92-N96 PolarHBondContact O-ND2 3.08Å; M93-N96 PolarHBondContact O-N 3.48Å; N96-V285 WeakPolarHBondContact OD1-CA 3.36Å; N96-K286 PolarHBondContact ND2-O 3.28Å; N96-K286 PolarHBondContact OD1-N 3.22Å; N96-K286 PolarHBondContact OD1-O 2.8Å
97F96.4Very high96.4Very high4 Ų444.1 Ų44.12%0.01821%0.211CC..SBendtrans-134.644.1-171.8-47-61.1000110.1M93 D99 E100 I102 H177 R238 I239 V285M93-F97 HydrophobicContact CE-CD2 4Å; M93-F97 HydrophobicContact CE-CE2 3.9Å; M93-F97 CarbonylContact O-C 3.39Å; M93-F97 WeakPolarHBondContact O-CA 3.32Å; M93-F97 PolarHBondContact O-N 3.03Å; M93-F97 HydrophobicContact SD-CD2 3.63Å; M93-F97 HydrophobicContact SD-CE2 4.05Å; F97-D99 PolarHBondContact O-N 2.9Å; F97-E100 HydrophobicContact CB-CB 4.14Å; F97-E100 HydrophobicContact CB-CG 4.16Å; F97-E100 WeakPolarHBondContact O-CB 3.41Å; F97-E100 PolarHBondContact O-N 2.97Å; F97-E100 VanDerWaalsContact O-N 3.15Å; F97-I102 HydrophobicContact CB-CD1 4.02Å; F97-H177 HydrophobicContact CD2-CB 4.36Å; F97-H177 AromaticContact CD2-CD2 3.95Å; F97-H177 AromaticContact CG-CD2 3.82Å; F97-R238 HydrophobicContact CE1-CB 4.09Å; F97-R238 HydrophobicContact CE1-CG 4.23Å; F97-R238 VanDerWaalsContact CE1-CZ 3.46Å; F97-R238 HydrophobicContact CE2-CB 4.15Å; F97-R238 HydrophobicContact CZ-CB 3.44Å; F97-R238 VanDerWaalsContact CZ-CB 3.44Å; F97-R238 HydrophobicContact CZ-CG 4.04Å; F97-I239 HydrophobicContact CE2-CD1 3.68Å; F97-I239 HydrophobicContact CE2-CG1 3.91Å; F97-I239 HydrophobicContact CZ-CD1 4.13Å; F97-I239 HydrophobicContact CZ-CG1 4.08Å; F97-V285 HydrophobicContact CE1-CG2 4.03Å; F97-V285 HydrophobicContact CZ-CG2 3.57Å
98K92Very high96.3Very high152 Ų15245.6 Ų45.666%0.66123%0.228SC*.THydrogen-bonded Turntrans-57.3135.5-179-167.2-172168.3-175.30109.3E100K98-E100 PolarHBondContact O-N 2.86Å
99D91.5Very high96.4Very high148 Ų14844.9 Ų44.979%0.79123%0.226SC*.THydrogen-bonded Turntrans69.23.4179.2-46.1-49.8000115F97F97-D99 PolarHBondContact O-N 2.9Å
100E95.7Very high96.4Very high83 Ų8345.2 Ų45.239%0.38823%0.23SC..SBendtrans-82.3150.6172.8-62.3-169.4-132.100112.6F97 K98 I102 H177F97-E100 HydrophobicContact CB-CB 4.14Å; F97-E100 HydrophobicContact CB-CG 4.16Å; F97-E100 WeakPolarHBondContact O-CB 3.41Å; F97-E100 PolarHBondContact O-N 2.97Å; F97-E100 VanDerWaalsContact O-N 3.15Å; K98-E100 PolarHBondContact O-N 2.86Å; E100-I102 HydrophobicContact CB-CD1 4.31Å; E100-I102 PolarHBondContact O-N 2.83Å; E100-H177 IonicContact OE2-NE2 3.51Å; E100-H177 PolarHBondContact OE2-NE2 3.28Å
101H95.7Very high96.4Very high160 Ų16043.9 Ų43.974%0.74122%0.223SC*.  trans-77.7103.7169.6-70.8-65.2000109.8H103 H177H101-H103 PolarHBondContact O-CD2 3.08Å; H101-H103 VanDerWaalsContact O-CD2 3.3Å; H101-H103 PolarHBondContact O-N 2.77Å; H101-H177 PolarHBondContact O-CE1 3.31Å
102I97.8Very high96.6Very high15 Ų1541.3 Ų41.38%0.07721%0.21CC..  trans-73122.6-174.1-50.3-55.3000111.7M93 F97 E100 W125 K126 H177 F178M93-I102 HydrophobicContact CB-CD1 4.18Å; M93-I102 HydrophobicContact CB-CG1 4.39Å; M93-I102 HydrophobicContact CG-CD1 4.3Å; M93-I102 HydrophobicContact CG-CG1 4.37Å; M93-I102 HydrophobicContact CG-CG2 4.13Å; M93-I102 HydrophobicContact SD-CD1 4.21Å; M93-I102 HydrophobicContact SD-CG2 4.06Å; F97-I102 HydrophobicContact CB-CD1 4.02Å; E100-I102 HydrophobicContact CB-CD1 4.31Å; E100-I102 PolarHBondContact O-N 2.83Å; I102-W125 HydrophobicContact CB-CB 4.4Å; I102-W125 HydrophobicContact CB-CD2 4.43Å; I102-W125 HydrophobicContact CB-CG 3.83Å; I102-W125 HydrophobicContact CG2-CB 4.39Å; I102-W125 HydrophobicContact CG2-CD2 3.99Å; I102-W125 HydrophobicContact CG2-CG 3.8Å; I102-K126 PolarHBondContact O-N 2.88Å; I102-H177 WeakPolarHBondContact CD1-CD2 2.83Å; I102-H177 HydrophobicContact CG2-CB 3.96Å; I102-F178 HydrophobicContact CG2-CD1 4.17Å; I102-F178 HydrophobicContact CG2-CE1 3.78Å
103H97.6Very high96.7Very high37 Ų3741 Ų4117%0.17121%0.209CC..EExtended strand (participates in β ladder)trans-116.2130.9170.4-75-132.1000109.1H101 K126 F173 F176 H177H101-H103 PolarHBondContact O-CD2 3.08Å; H101-H103 VanDerWaalsContact O-CD2 3.3Å; H101-H103 PolarHBondContact O-N 2.77Å; H103-K126 CarbonylContact C-O 3.57Å; H103-K126 WeakPolarHBondContact CA-O 2.95Å; H103-F173 HydrophobicContact CB-CD1 4.18Å; H103-F173 HydrophobicContact CB-CE1 3.41Å; H103-F173 VanDerWaalsContact CB-CE1 3.41Å; H103-F173 HydrophobicContact CB-CZ 3.85Å; H103-F173 AromaticContact CD2-CZ 3.54Å; H103-F173 AromaticContact CE1-CE2 3.45Å; H103-F173 VanDerWaalsContact CE1-CE2 3.45Å; H103-F173 WeakPolarHBondContact CE1-CE2 3.45Å; H103-F173 AromaticContact CE1-CZ 3.51Å; H103-F173 AromaticContact CG-CE1 3.45Å; H103-F173 VanDerWaalsContact CG-CE1 3.45Å; H103-F173 AromaticContact CG-CZ 3.34Å; H103-F173 AromaticContact ND1-CE1 3.57Å; H103-F173 AromaticContact ND1-CE2 3.6Å; H103-F173 AromaticContact ND1-CZ 3.34Å; H103-F173 VanDerWaalsContact ND1-CZ 3.34Å; H103-F173 WeakPolarHBondContact ND1-CZ 3.28Å; H103-F173 AromaticContact NE2-CE2 3.89Å; H103-F173 AromaticContact NE2-CZ 3.67Å; H103-F176 HydrophobicContact CB-CD1 4.24Å; H103-H177 PolarHBondContact N-ND1 2.87Å; H103-H177 PolarHBondContact O-N 2.99Å; H103-H177 PolarHBondContact O-ND1 3.12Å
104C97.8Very high96.8Very high0 Ų041 Ų410%021%0.209CC..EExtended strand (participates in β ladder)trans-141.1166.1-171.855.10000113K126 F127 L128 F178C104-K126 PolarHBondContact N-O 3.19Å; C104-K126 PolarHBondContact SG-O 3.25Å; C104-F127 CarbonylContact O-C 3.54Å; C104-F127 WeakPolarHBondContact O-CA 3.43Å; C104-F127 WeakPolarHBondContact SG-CD1 3.25Å; C104-F127 WeakPolarHBondContact SG-CE1 3.42Å; C104-F127 WeakPolarHBondContact SG-CZ 3.41Å; C104-L128 PolarHBondContact O-N 3.27Å; C104-F178 CarbonylContact C-O 3.59Å; C104-F178 WeakPolarHBondContact CA-O 3.48Å; C104-F178 HydrophobicContact CB-CD1 3.69Å; C104-F178 HydrophobicContact CB-CD2 3.93Å; C104-F178 HydrophobicContact CB-CE1 3.35Å; C104-F178 HydrophobicContact CB-CE2 3.55Å; C104-F178 HydrophobicContact CB-CG 3.98Å; C104-F178 HydrophobicContact CB-CZ 3.25Å; C104-F178 WeakPolarHBondContact CB-O 3.49Å; C104-F178 WeakPolarHBondContact SG-CZ 3.19Å
105I98.5Very high97Very high0 Ų036.9 Ų36.90%019%0.189CC..EExtended strand (participates in β ladder)trans-117.5132.9-179.5-58168.8000109.3I107 L128 I130 I168 F176 F178 W179 M180 I237I105-I107 HydrophobicContact CG2-CG1 4.01Å; I105-L128 CarbonylContact C-O 3.54Å; I105-L128 VanDerWaalsContact CA-O 3.27Å; I105-L128 WeakPolarHBondContact CA-O 3.34Å; I105-L128 HydrophobicContact CG1-CB 4.21Å; I105-L128 HydrophobicContact CG1-CD2 4.27Å; I105-I130 HydrophobicContact CG2-CD1 3.75Å; I105-I130 HydrophobicContact CG2-CG1 4.28Å; I105-I168 HydrophobicContact CD1-CD1 3.88Å; I105-I168 HydrophobicContact CD1-CG1 3.94Å; I105-I168 HydrophobicContact CD1-CG2 3.95Å; I105-F176 HydrophobicContact CD1-CB 4.14Å; I105-F176 HydrophobicContact CD1-CD1 4.04Å; I105-F176 HydrophobicContact CD1-CD2 3.66Å; I105-F176 HydrophobicContact CD1-CE1 4.35Å; I105-F176 HydrophobicContact CD1-CE2 4.01Å; I105-F176 HydrophobicContact CD1-CG 3.67Å; I105-F176 HydrophobicContact CD1-CZ 4.34Å; I105-F176 HydrophobicContact CG1-CB 4.25Å; I105-F176 HydrophobicContact CG1-CD1 3.62Å; I105-F176 HydrophobicContact CG1-CD2 4.2Å; I105-F176 HydrophobicContact CG1-CE1 3.93Å; I105-F176 HydrophobicContact CG1-CE2 4.47Å; I105-F176 HydrophobicContact CG1-CG 3.76Å; I105-F176 HydrophobicContact CG1-CZ 4.34Å; I105-F178 PolarHBondContact N-O 2.6Å; I105-W179 HydrophobicContact CB-CB 3.87Å; I105-W179 HydrophobicContact CG2-CB 4.42Å; I105-W179 CarbonylContact O-C 3.35Å; I105-W179 VanDerWaalsContact O-CA 3.23Å; I105-W179 WeakPolarHBondContact O-CA 3.49Å; I105-M180 PolarHBondContact O-N 3.36Å; I105-I237 HydrophobicContact CD1-CD1 3.66Å; I105-I237 HydrophobicContact CD1-CG1 4.2Å
106D98.7Very high97.1Very high0 Ų033.8 Ų33.80%018%0.175CC..EExtended strand (participates in β ladder)trans-109.5113.3169.1-177.531000109.5T109 P116 F127 L128 I130 M180D106-T109 WeakPolarHBondContact OD2-CA 3.46Å; D106-T109 WeakPolarHBondContact OD2-CB 3.32Å; D106-T109 PolarHBondContact OD2-OG1 3.33Å; D106-P116 HydrophobicContact CB-CG 4Å; D106-P116 WeakPolarHBondContact OD2-CD 3.25Å; D106-F127 HydrophobicContact CB-CD1 4.26Å; D106-L128 PolarHBondContact N-O 3.33Å; D106-I130 PolarHBondContact O-N 3.45Å; D106-M180 HydrophobicContact CB-CG 4.24Å
107I97.8Very high97.3Very high10 Ų1032.3 Ų32.35%0.05117%0.167CC..EExtended strand (participates in β ladder)trans-93.4115.2-178.4-57.8173.4000109.4I105 L164 W179 M180 C181 L226I105-I107 HydrophobicContact CG2-CG1 4.01Å; I107-L164 HydrophobicContact CD1-CD1 4.22Å; I107-L164 HydrophobicContact CG2-CD1 4.43Å; I107-W179 HydrophobicContact CD1-CB 4.39Å; I107-W179 HydrophobicContact CD1-CD2 3.69Å; I107-W179 HydrophobicContact CD1-CE3 3.57Å; I107-W179 HydrophobicContact CD1-CG 4.09Å; I107-W179 HydrophobicContact CD1-CZ3 4.05Å; I107-M180 PolarHBondContact N-O 2.99Å; I107-C181 HydrophobicContact CB-CB 4.11Å; I107-C181 PolarHBondContact O-SG 3.07Å; I107-L226 HydrophobicContact CD1-CD2 4.06Å; I107-L226 HydrophobicContact CG2-CD2 4.46Å
108G96.9Very high97.4Very high38 Ų3832.1 Ų32.139%0.39217%0.166SC..SBendtrans77.659.4-175.100000110.5G110 I130G108-G110 PolarHBondContact O-N 3.16Å; G108-I130 WeakPolarHBondContact CA-O 3.26Å; G108-I130 PolarHBondContact N-O 3.07Å
109T98.2Very high97.7Very high4 Ų424.9 Ų24.93%0.02513%0.134CC..  trans-67.5-18.1-172.7-159.80000114.2D106 C113 P116 A129 I130 E131 A140D106-T109 WeakPolarHBondContact OD2-CA 3.46Å; D106-T109 WeakPolarHBondContact OD2-CB 3.32Å; D106-T109 PolarHBondContact OD2-OG1 3.33Å; T109-C113 PolarHBondContact O-N 2.92Å; T109-C113 WeakPolarHBondContact OG1-CA 3.28Å; T109-P116 WeakPolarHBondContact OG1-CD 3.42Å; T109-A129 HydrophobicContact CG2-CB 3.87Å; T109-I130 PolarHBondContact N-O 3.44Å; T109-E131 HydrophobicContact CG2-CB 4.08Å; T109-A140 HydrophobicContact CG2-CB 4.2Å
110G97.7Very high98Very high8 Ų818.9 Ų18.98%0.08210%0.103CC..THydrogen-bonded Turntrans69.6171.4-179.500000112.9G108 S112 C113 E131G108-G110 PolarHBondContact O-N 3.16Å; G110-S112 PolarHBondContact O-N 2.68Å; G110-S112 VanDerWaalsContact O-N 3.14Å; G110-C113 PolarHBondContact O-N 3.2Å; G110-C113 VanDerWaalsContact O-N 3.15Å; G110-E131 WeakPolarHBondContact CA-OE2 3.5Å; G110-E131 PolarHBondContact N-OE2 3.02Å
111A98.1Very high98.1Very high1 Ų119.8 Ų19.81%0.00811%0.106CC..THydrogen-bonded Turntrans-56.9-33.4178.600000112.8P71 C113 N136 F139 A140 N143P71-A111 VanDerWaalsContact CD-CB 3.46Å; P71-A111 HydrophobicContact CG-CB 3.88Å; A111-C113 PolarHBondContact O-N 2.91Å; A111-N136 HydrophobicContact CB-CB 4.36Å; A111-F139 HydrophobicContact CB-CB 3.75Å; A111-F139 HydrophobicContact CB-CG 4.29Å; A111-F139 CarbonylContact O-C 3.59Å; A111-A140 WeakPolarHBondContact O-CA 3.36Å; A111-A140 PolarHBondContact O-N 2.73Å; A111-N143 PolarHBondContact O-ND2 3.1Å
112S98.3Very high98.2Very high6 Ų614.5 Ų14.54%0.0429%0.085CC..THydrogen-bonded Turntrans-72.7-22.6-178.467.60000115G110 I114 L117G110-S112 PolarHBondContact O-N 2.68Å; G110-S112 VanDerWaalsContact O-N 3.14Å; S112-I114 PolarHBondContact O-N 2.94Å; S112-I114 WeakPolarHBondContact OG-CB 3.03Å; S112-I114 PolarHBondContact OG-N 3.39Å; S112-L117 VanDerWaalsContact O-CD1 3.32Å; S112-L117 WeakPolarHBondContact O-CD1 3.35Å
113C98.6Very high98.1Very high0 Ų014.9 Ų14.90%09%0.089CC..THydrogen-bonded Turntrans51.834-171.7-154.30000112.9T109 G110 A111 Y115 P116 L117 A140T109-C113 PolarHBondContact O-N 2.92Å; T109-C113 WeakPolarHBondContact OG1-CA 3.28Å; G110-C113 PolarHBondContact O-N 3.2Å; G110-C113 VanDerWaalsContact O-N 3.15Å; A111-C113 PolarHBondContact O-N 2.91Å; C113-Y115 PolarHBondContact O-N 2.93Å; C113-P116 WeakPolarHBondContact O-CD 3.23Å; C113-L117 HydrophobicContact CB-CD1 4.27Å; C113-L117 HydrophobicContact CB-CG 4.3Å; C113-L117 VanDerWaalsContact O-CG 3.25Å; C113-L117 WeakPolarHBondContact O-CG 3.37Å; C113-L117 PolarHBondContact O-N 2.75Å; C113-L117 VanDerWaalsContact O-N 3.07Å; C113-A140 HydrophobicContact CB-CB 3.84Å
114I98.7Very high98.1Very high6 Ų616.1 Ų16.13%0.03111%0.111CC..Hα-helixtrans-65.8-39.3-160-170.560.9000113.9L60 P77 I79 R82 S112 L118L60-I114 HydrophobicContact CD1-CD1 3.9Å; L60-I114 HydrophobicContact CD2-CD1 3.7Å; L60-I114 HydrophobicContact CG-CD1 4.37Å; P77-I114 HydrophobicContact CB-CB 4.11Å; P77-I114 HydrophobicContact CB-CG1 3.89Å; P77-I114 HydrophobicContact CB-CG2 3.91Å; P77-I114 HydrophobicContact CG-CB 3.99Å; P77-I114 HydrophobicContact CG-CD1 4.14Å; P77-I114 HydrophobicContact CG-CG1 3.85Å; P77-I114 HydrophobicContact CG-CG2 4.29Å; I79-I114 HydrophobicContact CD1-CD1 3.73Å; I79-I114 HydrophobicContact CD1-CG1 4.28Å; R82-I114 HydrophobicContact CG-CG1 4.26Å; R82-I114 HydrophobicContact CG-CG2 4.4Å; S112-I114 PolarHBondContact O-N 2.94Å; S112-I114 WeakPolarHBondContact OG-CB 3.03Å; S112-I114 PolarHBondContact OG-N 3.39Å; I114-L118 HydrophobicContact CD1-CD1 3.83Å; I114-L118 HydrophobicContact CD1-CG 3.96Å; I114-L118 HydrophobicContact CG1-CD1 3.79Å; I114-L118 HydrophobicContact CG1-CG 4.3Å; I114-L118 VanDerWaalsContact O-CB 3.31Å; I114-L118 WeakPolarHBondContact O-CB 3.28Å; I114-L118 WeakPolarHBondContact O-CG 3.37Å; I114-L118 PolarHBondContact O-N 3.23Å
115Y98.8Very high98.1Very high6 Ų616.7 Ų16.72%0.02411%0.113CC..Hα-helixtrans-70.8-46.1-178.7-67.6-61.9000111.8R82 Y85 L86 C113 L117 G119 M180 N182 M243R82-Y115 HydrophobicContact CB-CD1 4.32Å; R82-Y115 HydrophobicContact CB-CE1 3.8Å; R82-Y115 VanDerWaalsContact CD-CZ 3.49Å; R82-Y115 WeakPolarHBondContact CD-OH 3.46Å; R82-Y115 HydrophobicContact CG-CE1 4.27Å; R82-Y115 PolarHBondContact NH1-OH 2.93Å; Y85-Y115 AromaticContact CD1-CE1 3.99Å; Y85-Y115 HydrophobicContact CD1-CE1 3.99Å; Y85-Y115 AromaticContact CD1-CZ 3.87Å; L86-Y115 HydrophobicContact CD1-CD1 4.39Å; L86-Y115 HydrophobicContact CD2-CD1 4.37Å; L86-Y115 HydrophobicContact CG-CD1 4.12Å; C113-Y115 PolarHBondContact O-N 2.93Å; Y115-L117 PolarHBondContact O-N 2.9Å; Y115-G119 WeakPolarHBondContact O-CA 3.33Å; Y115-G119 PolarHBondContact O-N 3.13Å; Y115-M180 HydrophobicContact CD1-CE 3.24Å; Y115-M180 HydrophobicContact CD1-SD 4.3Å; Y115-M180 HydrophobicContact CD2-CE 3.81Å; Y115-M180 HydrophobicContact CE1-CE 3.58Å; Y115-M180 HydrophobicContact CE2-CE 4.15Å; Y115-M180 HydrophobicContact CG-CE 3.34Å; Y115-M180 HydrophobicContact CG-SD 3.99Å; Y115-N182 HydrophobicContact CE2-CB 3.82Å; Y115-M243 VanDerWaalsContact OH-CE 3.25Å; Y115-M243 WeakPolarHBondContact OH-CE 3.49Å
116P98.8Very high98.1Very high0 Ų020.9 Ų20.90%013%0.132CC..Hα-helixtrans-55.8-49.1171-30.234.8000113.5D106 T109 C113 G119 V120 F127 A129 I153D106-P116 HydrophobicContact CB-CG 4Å; D106-P116 WeakPolarHBondContact OD2-CD 3.25Å; T109-P116 WeakPolarHBondContact OG1-CD 3.42Å; C113-P116 WeakPolarHBondContact O-CD 3.23Å; P116-G119 PolarHBondContact O-N 3.19Å; P116-V120 VanDerWaalsContact O-CG2 3.32Å; P116-V120 WeakPolarHBondContact O-CG2 3.07Å; P116-V120 PolarHBondContact O-N 3.43Å; P116-F127 HydrophobicContact CB-CB 3.78Å; P116-F127 HydrophobicContact CB-CD1 3.99Å; P116-F127 HydrophobicContact CB-CD2 4.14Å; P116-F127 HydrophobicContact CB-CG 3.72Å; P116-F127 HydrophobicContact CG-CB 4.05Å; P116-F127 HydrophobicContact CG-CD1 3.77Å; P116-F127 HydrophobicContact CG-CE1 4.41Å; P116-F127 HydrophobicContact CG-CG 3.99Å; P116-A129 HydrophobicContact CG-CB 3.75Å; P116-I153 HydrophobicContact CB-CD1 3.72Å; P116-I153 HydrophobicContact CB-CG1 3.98Å; P116-I153 HydrophobicContact CB-CG2 3.72Å; P116-I153 HydrophobicContact CG-CG2 4.45Å
117L98.9Very high98.1Very high0 Ų021.2 Ų21.20%013%0.133CC..Hα-helixtrans-63-48.9-177.7-66.7175.2000112L66 V68 S112 C113 Y115 K121 N143 V144 N147 L149 I153L66-L117 HydrophobicContact CD1-CB 3.96Å; L66-L117 HydrophobicContact CD2-CB 4.25Å; L66-L117 HydrophobicContact CD2-CD2 4.45Å; V68-L117 HydrophobicContact CG1-CD1 4.39Å; V68-L117 HydrophobicContact CG2-CD1 3.65Å; S112-L117 VanDerWaalsContact O-CD1 3.32Å; S112-L117 WeakPolarHBondContact O-CD1 3.35Å; C113-L117 HydrophobicContact CB-CD1 4.27Å; C113-L117 HydrophobicContact CB-CG 4.3Å; C113-L117 VanDerWaalsContact O-CG 3.25Å; C113-L117 WeakPolarHBondContact O-CG 3.37Å; C113-L117 PolarHBondContact O-N 2.75Å; C113-L117 VanDerWaalsContact O-N 3.07Å; Y115-L117 PolarHBondContact O-N 2.9Å; L117-K121 WeakPolarHBondContact O-CG 3.3Å; L117-K121 PolarHBondContact O-N 3.17Å; L117-N143 HydrophobicContact CD1-CB 4.25Å; L117-V144 HydrophobicContact CD2-CG2 4.31Å; L117-N147 HydrophobicContact CD2-CB 4.48Å; L117-L149 HydrophobicContact CD2-CD1 3.8Å; L117-I153 HydrophobicContact CD2-CD1 3.86Å; L117-I153 HydrophobicContact CG-CD1 4.47Å
118L98.7Very high98.1Very high0 Ų021 Ų210%013%0.132CC..Hα-helixtrans-67.7-39.2176.9-73.6176.6000111.8L60 F64 L66 I79 R82 L83 L86 I114 V120 K121 V122L60-L118 HydrophobicContact CD2-CD2 3.81Å; L60-L118 HydrophobicContact CD2-CG 4.32Å; F64-L118 HydrophobicContact CB-CD2 4.45Å; F64-L118 HydrophobicContact CD1-CD2 3.87Å; F64-L118 HydrophobicContact CD2-CD2 3.85Å; F64-L118 HydrophobicContact CE1-CD2 4.1Å; F64-L118 HydrophobicContact CE2-CD2 4.08Å; F64-L118 HydrophobicContact CG-CD2 3.76Å; F64-L118 HydrophobicContact CZ-CD2 4.21Å; L66-L118 HydrophobicContact CD1-CD2 4.04Å; I79-L118 HydrophobicContact CG2-CD1 4.35Å; R82-L118 HydrophobicContact CB-CD1 4.06Å; L83-L118 HydrophobicContact CD2-CD1 4.25Å; L83-L118 HydrophobicContact CD2-CD2 4.42Å; L86-L118 HydrophobicContact CD1-CB 3.42Å; L86-L118 VanDerWaalsContact CD1-CB 3.42Å; L86-L118 HydrophobicContact CD1-CD1 4.37Å; I114-L118 HydrophobicContact CD1-CD1 3.83Å; I114-L118 HydrophobicContact CD1-CG 3.96Å; I114-L118 HydrophobicContact CG1-CD1 3.79Å; I114-L118 HydrophobicContact CG1-CG 4.3Å; I114-L118 VanDerWaalsContact O-CB 3.31Å; I114-L118 WeakPolarHBondContact O-CB 3.28Å; I114-L118 WeakPolarHBondContact O-CG 3.37Å; I114-L118 PolarHBondContact O-N 3.23Å; L118-V120 PolarHBondContact O-N 2.97Å; L118-K121 PolarHBondContact O-N 3.47Å; L118-V122 VanDerWaalsContact O-CB 3.26Å; L118-V122 WeakPolarHBondContact O-CB 3.15Å; L118-V122 VanDerWaalsContact O-CG2 3.3Å; L118-V122 WeakPolarHBondContact O-CG2 3.07Å; L118-V122 PolarHBondContact O-N 3.5Å
119G98.5Very high98.2Very high0 Ų019.2 Ų19.20%011%0.113CC..Hα-helixtrans-65-38.1-179.200000112.5Y115 P116 C123 G124 W125Y115-G119 WeakPolarHBondContact O-CA 3.33Å; Y115-G119 PolarHBondContact O-N 3.13Å; P116-G119 PolarHBondContact O-N 3.19Å; G119-C123 CarbonylContact O-C 3.54Å; G119-C123 VanDerWaalsContact O-CA 3.32Å; G119-C123 WeakPolarHBondContact O-CA 3.44Å; G119-C123 VanDerWaalsContact O-CB 3.27Å; G119-C123 WeakPolarHBondContact O-CB 3.33Å; G119-C123 PolarHBondContact O-N 3.22Å; G119-G124 PolarHBondContact O-N 2.59Å; G119-G124 VanDerWaalsContact O-N 3.08Å; G119-W125 PolarHBondContact O-N 2.9Å
120V98.4Very high98.1Very high23 Ų2319.2 Ų19.214%0.13911%0.113CC..Hα-helixtrans-62-49.4169.7170.90000110.6P116 L118 G124 W125 F127 L149 V152 I153P116-V120 VanDerWaalsContact O-CG2 3.32Å; P116-V120 WeakPolarHBondContact O-CG2 3.07Å; P116-V120 PolarHBondContact O-N 3.43Å; L118-V120 PolarHBondContact O-N 2.97Å; V120-G124 VanDerWaalsContact O-CA 3.28Å; V120-G124 WeakPolarHBondContact O-CA 3.45Å; V120-G124 PolarHBondContact O-N 2.74Å; V120-W125 WeakPolarHBondContact CG2-O 3.5Å; V120-F127 HydrophobicContact CG2-CD2 4.3Å; V120-L149 HydrophobicContact CB-CD1 4.15Å; V120-L149 HydrophobicContact CG1-CD1 3.95Å; V120-L149 HydrophobicContact CG1-CD2 3.83Å; V120-L149 HydrophobicContact CG1-CG 4.46Å; V120-V152 HydrophobicContact CG1-CG2 3.92Å; V120-V152 HydrophobicContact CG2-CB 4.3Å; V120-V152 HydrophobicContact CG2-CG2 3.74Å; V120-I153 HydrophobicContact CG2-CD1 3.78Å; V120-I153 HydrophobicContact CG2-CG1 3.69Å
121K97.5Very high98.2Very high101 Ų10119.3 Ų19.344%0.43911%0.112SC..Hα-helixtrans-69.8-36.2-175.2-71.5-64.7-172177.50114.2L66 L117 L118L66-K121 HydrophobicContact CD1-CG 3.93Å; L66-K121 HydrophobicContact CD2-CD 4.36Å; L66-K121 HydrophobicContact CD2-CG 3.8Å; L66-K121 HydrophobicContact CG-CG 3.89Å; L117-K121 WeakPolarHBondContact O-CG 3.3Å; L117-K121 PolarHBondContact O-N 3.17Å; L118-K121 PolarHBondContact O-N 3.47Å
122V97Very high98.1Very high50 Ų5021.5 Ų21.530%0.30313%0.127SC..Hα-helixtrans-95.5-36.4-173.4178.30000111.7F64 L83 L87 L118F64-V122 HydrophobicContact CD1-CG2 3.9Å; F64-V122 HydrophobicContact CE1-CG2 3.64Å; L83-V122 HydrophobicContact CD2-CG2 4Å; L87-V122 HydrophobicContact CD2-CG1 4.2Å; L118-V122 VanDerWaalsContact O-CB 3.26Å; L118-V122 WeakPolarHBondContact O-CB 3.15Å; L118-V122 VanDerWaalsContact O-CG2 3.3Å; L118-V122 WeakPolarHBondContact O-CG2 3.07Å; L118-V122 PolarHBondContact O-N 3.5Å
123C96.4Very high97.9Very high23 Ų2322.3 Ų22.316%0.15513%0.131CC..Hα-helixtrans-118.2-11.8-171.1-47.70000114G119 W125G119-C123 CarbonylContact O-C 3.54Å; G119-C123 VanDerWaalsContact O-CA 3.32Å; G119-C123 WeakPolarHBondContact O-CA 3.44Å; G119-C123 VanDerWaalsContact O-CB 3.27Å; G119-C123 WeakPolarHBondContact O-CB 3.33Å; G119-C123 PolarHBondContact O-N 3.22Å; C123-W125 VanDerWaalsContact C-N 3.3Å; C123-W125 HydrophobicContact CB-CD2 3.42Å; C123-W125 VanDerWaalsContact CB-CD2 3.42Å; C123-W125 HydrophobicContact CB-CE3 3.88Å; C123-W125 HydrophobicContact CB-CG 3.78Å; C123-W125 HydrophobicContact CB-CH2 4.12Å; C123-W125 HydrophobicContact CB-CZ2 3.69Å; C123-W125 HydrophobicContact CB-CZ3 4.2Å; C123-W125 PolarHBondContact O-N 3.36Å; C123-W125 PolarHBondContact O-NE1 3.4Å
124G97.1Very high97.8Very high62 Ų6225.9 Ų25.964%0.63916%0.155SC*.  trans71.220.2-178.400000114.7G119 V120G119-G124 PolarHBondContact O-N 2.59Å; G119-G124 VanDerWaalsContact O-N 3.08Å; V120-G124 VanDerWaalsContact O-CA 3.28Å; V120-G124 WeakPolarHBondContact O-CA 3.45Å; V120-G124 PolarHBondContact O-N 2.74Å
125W98Very high97.7Very high13 Ų1327.9 Ų27.95%0.04917%0.17CC..  trans-84.5158.2-174.8-59.5-17.5000113.4L86 L89 Q90 M93 I102 G119 V120 C123 F127 F178L86-W125 HydrophobicContact CD2-CZ3 4.01Å; L89-W125 HydrophobicContact CB-CH2 3.82Å; L89-W125 HydrophobicContact CB-CZ3 4.16Å; Q90-W125 HydrophobicContact CB-CH2 4Å; Q90-W125 HydrophobicContact CB-CZ2 3.9Å; Q90-W125 HydrophobicContact CG-CZ2 4.14Å; M93-W125 HydrophobicContact CB-CZ2 4.27Å; M93-W125 HydrophobicContact CG-CH2 4.31Å; M93-W125 HydrophobicContact CG-CZ2 3.78Å; I102-W125 HydrophobicContact CB-CB 4.4Å; I102-W125 HydrophobicContact CB-CD2 4.43Å; I102-W125 HydrophobicContact CB-CG 3.83Å; I102-W125 HydrophobicContact CG2-CB 4.39Å; I102-W125 HydrophobicContact CG2-CD2 3.99Å; I102-W125 HydrophobicContact CG2-CG 3.8Å; G119-W125 PolarHBondContact O-N 2.9Å; V120-W125 WeakPolarHBondContact CG2-O 3.5Å; C123-W125 VanDerWaalsContact C-N 3.3Å; C123-W125 HydrophobicContact CB-CD2 3.42Å; C123-W125 VanDerWaalsContact CB-CD2 3.42Å; C123-W125 HydrophobicContact CB-CE3 3.88Å; C123-W125 HydrophobicContact CB-CG 3.78Å; C123-W125 HydrophobicContact CB-CH2 4.12Å; C123-W125 HydrophobicContact CB-CZ2 3.69Å; C123-W125 HydrophobicContact CB-CZ3 4.2Å; C123-W125 PolarHBondContact O-N 3.36Å; C123-W125 PolarHBondContact O-NE1 3.4Å; W125-F127 HydrophobicContact CB-CD2 4.34Å; W125-F127 HydrophobicContact CB-CE2 3.77Å; W125-F127 HydrophobicContact CB-CZ 4.47Å; W125-F127 HydrophobicContact CE3-CE2 4.33Å; W125-F127 AromaticContact CE3-CZ 3.97Å; W125-F127 HydrophobicContact CE3-CZ 3.97Å; W125-F178 HydrophobicContact CD2-CE1 4.16Å; W125-F178 HydrophobicContact CD2-CZ 4.32Å; W125-F178 AromaticContact CE3-CE1 3.73Å; W125-F178 HydrophobicContact CE3-CE1 3.73Å; W125-F178 AromaticContact CE3-CZ 3.46Å; W125-F178 HydrophobicContact CE3-CZ 3.46Å; W125-F178 VanDerWaalsContact CE3-CZ 3.46Å; W125-F178 HydrophobicContact CH2-CE1 4.06Å; W125-F178 HydrophobicContact CH2-CZ 4.1Å; W125-F178 HydrophobicContact CZ2-CE1 4.45Å; W125-F178 AromaticContact CZ3-CE1 3.69Å; W125-F178 HydrophobicContact CZ3-CE1 3.69Å; W125-F178 HydrophobicContact CZ3-CE2 4.43Å; W125-F178 AromaticContact CZ3-CZ 3.34Å; W125-F178 HydrophobicContact CZ3-CZ 3.34Å
126K98.3Very high97.7Very high88 Ų8827.6 Ų27.638%0.38317%0.169SC..EExtended strand (participates in β ladder)trans-99.6143.9170-62.5-172.4-173169.30111.1I102 H103 C104 V152I102-K126 PolarHBondContact O-N 2.88Å; H103-K126 CarbonylContact C-O 3.57Å; H103-K126 WeakPolarHBondContact CA-O 2.95Å; C104-K126 PolarHBondContact N-O 3.19Å; C104-K126 PolarHBondContact SG-O 3.25Å; K126-V152 CarbonylContact C-O 3.56Å; K126-V152 VanDerWaalsContact CA-O 3.29Å; K126-V152 WeakPolarHBondContact CA-O 3.49Å; K126-V152 HydrophobicContact CD-CG1 4.38Å; K126-V152 HydrophobicContact CG-CB 4.1Å; K126-V152 HydrophobicContact CG-CG1 3.95Å
127F98.6Very high97.6Very high7 Ų727.7 Ų27.73%0.03117%0.169CC..EExtended strand (participates in β ladder)trans-127.5134.9-173-77.1-99.3000113L86 C104 D106 P116 V120 W125 V152 I153 T154 M180L86-F127 HydrophobicContact CD2-CZ 4.45Å; C104-F127 CarbonylContact O-C 3.54Å; C104-F127 WeakPolarHBondContact O-CA 3.43Å; C104-F127 WeakPolarHBondContact SG-CD1 3.25Å; C104-F127 WeakPolarHBondContact SG-CE1 3.42Å; C104-F127 WeakPolarHBondContact SG-CZ 3.41Å; D106-F127 HydrophobicContact CB-CD1 4.26Å; P116-F127 HydrophobicContact CB-CB 3.78Å; P116-F127 HydrophobicContact CB-CD1 3.99Å; P116-F127 HydrophobicContact CB-CD2 4.14Å; P116-F127 HydrophobicContact CB-CG 3.72Å; P116-F127 HydrophobicContact CG-CB 4.05Å; P116-F127 HydrophobicContact CG-CD1 3.77Å; P116-F127 HydrophobicContact CG-CE1 4.41Å; P116-F127 HydrophobicContact CG-CG 3.99Å; V120-F127 HydrophobicContact CG2-CD2 4.3Å; W125-F127 HydrophobicContact CB-CD2 4.34Å; W125-F127 HydrophobicContact CB-CE2 3.77Å; W125-F127 HydrophobicContact CB-CZ 4.47Å; W125-F127 HydrophobicContact CE3-CE2 4.33Å; W125-F127 AromaticContact CE3-CZ 3.97Å; W125-F127 HydrophobicContact CE3-CZ 3.97Å; F127-V152 PolarHBondContact N-O 3.39Å; F127-I153 HydrophobicContact CB-CG1 4.35Å; F127-I153 HydrophobicContact CB-CG2 4.32Å; F127-I153 WeakPolarHBondContact O-CA 3.49Å; F127-T154 PolarHBondContact O-N 2.72Å; F127-M180 HydrophobicContact CE1-SD 4.1Å
128L98.2Very high97.6Very high5 Ų531.6 Ų31.63%0.02619%0.19CC..EExtended strand (participates in β ladder)trans-94.2109.8151.9175.562.5000108C104 I105 D106 I130 T154 V156 F171 F176C104-L128 PolarHBondContact O-N 3.27Å; I105-L128 CarbonylContact C-O 3.54Å; I105-L128 VanDerWaalsContact CA-O 3.27Å; I105-L128 WeakPolarHBondContact CA-O 3.34Å; I105-L128 HydrophobicContact CG1-CB 4.21Å; I105-L128 HydrophobicContact CG1-CD2 4.27Å; D106-L128 PolarHBondContact N-O 3.33Å; L128-I130 HydrophobicContact CD2-CD1 4.31Å; L128-I130 HydrophobicContact CD2-CG1 4.49Å; L128-I130 HydrophobicContact CG-CD1 4.48Å; L128-I130 HydrophobicContact CG-CG1 4.17Å; L128-T154 HydrophobicContact CD1-CG2 4.46Å; L128-V156 HydrophobicContact CD1-CB 4.26Å; L128-V156 HydrophobicContact CD1-CG2 3.48Å; L128-V156 VanDerWaalsContact CD1-CG2 3.48Å; L128-F171 HydrophobicContact CD1-CE1 3.94Å; L128-F171 HydrophobicContact CD1-CE2 3.8Å; L128-F171 HydrophobicContact CD1-CZ 3.46Å; L128-F171 VanDerWaalsContact CD1-CZ 3.46Å; L128-F171 HydrophobicContact CD2-CD2 3.83Å; L128-F171 HydrophobicContact CD2-CE2 3.75Å; L128-F171 HydrophobicContact CD2-CG 4.38Å; L128-F171 HydrophobicContact CD2-CZ 4.22Å; L128-F171 HydrophobicContact CG-CE2 4.46Å; L128-F176 HydrophobicContact CB-CE1 4.04Å; L128-F176 HydrophobicContact CB-CZ 4.46Å; L128-F176 HydrophobicContact CD2-CE1 4.36Å; L128-F176 HydrophobicContact CD2-CZ 3.97Å
129A98.6Very high97.6Very high0 Ų034.3 Ų34.30%020%0.202CC..EExtended strand (participates in β ladder)trans-99112.6-17900000109.8T109 P116 I153 T154 V155 V156T109-A129 HydrophobicContact CG2-CB 3.87Å; P116-A129 HydrophobicContact CG-CB 3.75Å; A129-I153 HydrophobicContact CB-CG2 4.25Å; A129-T154 PolarHBondContact N-O 3.17Å; A129-V155 HydrophobicContact CB-CG2 4.2Å; A129-V155 CarbonylContact O-C 3.5Å; A129-V155 WeakPolarHBondContact O-CA 3.32Å; A129-V156 PolarHBondContact O-N 2.88Å
130I98Very high97.6Very high5 Ų534.3 Ų34.33%0.02620%0.202CC..EExtended strand (participates in β ladder)trans-100.7133.8-176.3-66176.5000109.6I105 D106 G108 T109 L128 V158 L164 I168I105-I130 HydrophobicContact CG2-CD1 3.75Å; I105-I130 HydrophobicContact CG2-CG1 4.28Å; D106-I130 PolarHBondContact O-N 3.45Å; G108-I130 WeakPolarHBondContact CA-O 3.26Å; G108-I130 PolarHBondContact N-O 3.07Å; T109-I130 PolarHBondContact N-O 3.44Å; L128-I130 HydrophobicContact CD2-CD1 4.31Å; L128-I130 HydrophobicContact CD2-CG1 4.49Å; L128-I130 HydrophobicContact CG-CD1 4.48Å; L128-I130 HydrophobicContact CG-CG1 4.17Å; I130-V158 HydrophobicContact CG2-CB 3.93Å; I130-V158 HydrophobicContact CG2-CG2 3.57Å; I130-L164 HydrophobicContact CD1-CD2 4.02Å; I130-L164 HydrophobicContact CG2-CD2 4.02Å; I130-I168 HydrophobicContact CD1-CG1 4.24Å
131E97.9Very high97.6Very high10 Ų1038.8 Ų38.85%0.04722%0.216CC..EExtended strand (participates in β ladder)trans-144.9143.9176.5177.956-104.800111.4T109 G110 L133 N136 V137 V156 H157 V158T109-E131 HydrophobicContact CG2-CB 4.08Å; G110-E131 WeakPolarHBondContact CA-OE2 3.5Å; G110-E131 PolarHBondContact N-OE2 3.02Å; E131-L133 PolarHBondContact OE1-N 3.18Å; E131-N136 HydrophobicContact CG-CB 3.49Å; E131-N136 VanDerWaalsContact CG-CB 3.49Å; E131-V137 HydrophobicContact CB-CG2 3.71Å; E131-V137 HydrophobicContact CG-CG2 3.81Å; E131-V156 PolarHBondContact N-O 3.49Å; E131-H157 CarbonylContact O-C 3.56Å; E131-H157 VanDerWaalsContact O-CA 3.29Å; E131-H157 WeakPolarHBondContact O-CA 3.28Å; E131-V158 PolarHBondContact O-N 2.91Å
132S96Very high97.7Very high47 Ų4739.6 Ų39.633%0.32922%0.22SC..SBendtrans-100.8-22.7-177.866.10000114.5H157 V158S132-H157 PolarHBondContact O-NE2 3.18Å; S132-V158 WeakPolarHBondContact CA-O 3.19Å; S132-V158 VanDerWaalsContact CB-O 3.28Å; S132-V158 WeakPolarHBondContact CB-O 3.35Å
133L95.9Very high97.8Very high23 Ų2337.2 Ų37.212%0.1221%0.205CC..  trans-87.3115.5173.6-66.4-177.7000109.8E131 S135 N136 V137 K209 E211 E212E131-L133 PolarHBondContact OE1-N 3.18Å; L133-S135 PolarHBondContact O-N 3Å; L133-N136 HydrophobicContact CB-CB 3.97Å; L133-N136 WeakPolarHBondContact O-CA 3.5Å; L133-N136 WeakPolarHBondContact O-CB 3.23Å; L133-N136 PolarHBondContact O-N 3.18Å; L133-V137 WeakPolarHBondContact O-CG2 3.33Å; L133-V137 PolarHBondContact O-N 3.16Å; L133-K209 HydrophobicContact CD1-CB 4.47Å; L133-K209 HydrophobicContact CD1-CD 3.85Å; L133-E211 HydrophobicContact CD1-CB 4.12Å; L133-E211 HydrophobicContact CD2-CB 4.31Å; L133-E211 HydrophobicContact CD2-CG 4.15Å; L133-E211 HydrophobicContact CG-CB 4.46Å; L133-E212 HydrophobicContact CD1-CG 4.5Å
134S96.2Very high97.9Very high74 Ų7436.3 Ų36.352%0.51720%0.199SC..Hα-helixtrans-51.6-42.3175.856.90000112.7N136 V137 D138S134-N136 VanDerWaalsContact C-N 3.32Å; S134-N136 PolarHBondContact O-N 3.22Å; S134-V137 WeakPolarHBondContact O-CB 3.13Å; S134-V137 PolarHBondContact O-N 3.03Å; S134-V137 VanDerWaalsContact O-N 3.17Å; S134-D138 PolarHBondContact O-N 2.96Å
135S96.3Very high98Very high48 Ų4839.1 Ų39.134%0.33620%0.196SC..Hα-helixtrans-60.4-38.4175.660.50000113L133 F139 K209L133-S135 PolarHBondContact O-N 3Å; S135-F139 WeakPolarHBondContact O-CD2 3.31Å; S135-F139 PolarHBondContact O-N 3.18Å; S135-K209 PolarHBondContact OG-NZ 2.74Å
136N97.7Very high98Very high0 Ų044.1 Ų44.10%022%0.215CC..Hα-helixtrans-72-37.2176-76.55.8000111.5A111 E131 L133 S134 D138 F139 A140 K209 E212A111-N136 HydrophobicContact CB-CB 4.36Å; E131-N136 HydrophobicContact CG-CB 3.49Å; E131-N136 VanDerWaalsContact CG-CB 3.49Å; L133-N136 HydrophobicContact CB-CB 3.97Å; L133-N136 WeakPolarHBondContact O-CA 3.5Å; L133-N136 WeakPolarHBondContact O-CB 3.23Å; L133-N136 PolarHBondContact O-N 3.18Å; S134-N136 VanDerWaalsContact C-N 3.32Å; S134-N136 PolarHBondContact O-N 3.22Å; N136-D138 VanDerWaalsContact C-N 3.31Å; N136-D138 PolarHBondContact O-N 3.48Å; N136-F139 PolarHBondContact O-N 3.5Å; N136-A140 VanDerWaalsContact O-CB 3.26Å; N136-A140 WeakPolarHBondContact O-CB 3.43Å; N136-A140 PolarHBondContact O-N 3.46Å; N136-K209 PolarHBondContact OD1-NZ 2.96Å; N136-E212 PolarHBondContact ND2-OE1 3.08Å
137V98.3Very high98Very high2 Ų240.7 Ų40.71%0.01220%0.201CC..Hα-helixtrans-57-45.8175172.60000110.9E131 L133 S134 A140 R141 V155 H157E131-V137 HydrophobicContact CB-CG2 3.71Å; E131-V137 HydrophobicContact CG-CG2 3.81Å; L133-V137 WeakPolarHBondContact O-CG2 3.33Å; L133-V137 PolarHBondContact O-N 3.16Å; S134-V137 WeakPolarHBondContact O-CB 3.13Å; S134-V137 PolarHBondContact O-N 3.03Å; S134-V137 VanDerWaalsContact O-N 3.17Å; V137-A140 PolarHBondContact O-N 3.49Å; V137-R141 HydrophobicContact CG1-CG 4.4Å; V137-R141 VanDerWaalsContact CG1-CZ 3.47Å; V137-R141 WeakPolarHBondContact O-CB 3.34Å; V137-R141 WeakPolarHBondContact O-CG 3.37Å; V137-R141 PolarHBondContact O-N 2.92Å; V137-V155 HydrophobicContact CG1-CG1 4.16Å; V137-H157 HydrophobicContact CG1-CB 4.29Å; V137-H157 HydrophobicContact CG2-CB 3.82Å
138D98.2Very high98Very high83 Ų8344.5 Ų44.544%0.44423%0.228SC..Hα-helixtrans-62.7-44.4-179.3-69.8-21.7000112.1S134 N136 K142S134-D138 PolarHBondContact O-N 2.96Å; N136-D138 VanDerWaalsContact C-N 3.31Å; N136-D138 PolarHBondContact O-N 3.48Å; D138-K142 WeakPolarHBondContact O-CB 3.42Å; D138-K142 VanDerWaalsContact O-CG 3.28Å; D138-K142 WeakPolarHBondContact O-CG 3.25Å; D138-K142 PolarHBondContact O-N 3.22Å; D138-K142 VanDerWaalsContact O-N 3.1Å
139F98.5Very high98Very high56 Ų5644.9 Ų44.925%0.24623%0.23CC..Hα-helixtrans-65.7-44.3175-88.8-93.7000112P71 A111 S135 N136 R141 K142 N143P71-F139 HydrophobicContact CB-CE1 4.17Å; P71-F139 HydrophobicContact CB-CE2 4.15Å; P71-F139 HydrophobicContact CB-CZ 3.84Å; P71-F139 HydrophobicContact CG-CD1 3.89Å; P71-F139 HydrophobicContact CG-CD2 3.78Å; P71-F139 HydrophobicContact CG-CE1 3.79Å; P71-F139 HydrophobicContact CG-CE2 3.68Å; P71-F139 HydrophobicContact CG-CG 3.88Å; P71-F139 HydrophobicContact CG-CZ 3.67Å; A111-F139 HydrophobicContact CB-CB 3.75Å; A111-F139 HydrophobicContact CB-CG 4.29Å; A111-F139 CarbonylContact O-C 3.59Å; S135-F139 WeakPolarHBondContact O-CD2 3.31Å; S135-F139 PolarHBondContact O-N 3.18Å; N136-F139 PolarHBondContact O-N 3.5Å; F139-R141 PolarHBondContact O-N 3.03Å; F139-K142 PolarHBondContact O-N 2.9Å; F139-N143 WeakPolarHBondContact O-CB 3.22Å; F139-N143 VanDerWaalsContact O-CG 3.26Å; F139-N143 PolarHBondContact O-N 2.79Å; F139-N143 PolarHBondContact O-ND2 2.93Å
140A98.8Very high98Very high0 Ų051.2 Ų51.20%026%0.259CS..Hα-helixtrans-60.3-44.6179.200000111.4T109 A111 C113 N136 V137 N143 V144 V155T109-A140 HydrophobicContact CG2-CB 4.2Å; A111-A140 WeakPolarHBondContact O-CA 3.36Å; A111-A140 PolarHBondContact O-N 2.73Å; C113-A140 HydrophobicContact CB-CB 3.84Å; N136-A140 VanDerWaalsContact O-CB 3.26Å; N136-A140 WeakPolarHBondContact O-CB 3.43Å; N136-A140 PolarHBondContact O-N 3.46Å; V137-A140 PolarHBondContact O-N 3.49Å; A140-N143 PolarHBondContact O-N 2.76Å; A140-V144 VanDerWaalsContact O-CG2 3.31Å; A140-V144 WeakPolarHBondContact O-CG2 3.35Å; A140-V144 PolarHBondContact O-N 3.15Å; A140-V155 HydrophobicContact CB-CG1 3.93Å; A140-V155 HydrophobicContact CB-CG2 4.26Å
141R98.8Very high98Very high117 Ų11757.8 Ų57.844%0.44229%0.29SS..Hα-helixtrans-60.8-49175.2-75.9175.5176161.9-2.5112.1V137 F139 N143 V144 E145 V155V137-R141 HydrophobicContact CG1-CG 4.4Å; V137-R141 VanDerWaalsContact CG1-CZ 3.47Å; V137-R141 WeakPolarHBondContact O-CB 3.34Å; V137-R141 WeakPolarHBondContact O-CG 3.37Å; V137-R141 PolarHBondContact O-N 2.92Å; F139-R141 PolarHBondContact O-N 3.03Å; R141-N143 VanDerWaalsContact C-N 3.28Å; R141-N143 PolarHBondContact O-N 3.45Å; R141-V144 PolarHBondContact O-N 3.49Å; R141-E145 WeakPolarHBondContact O-CB 3.4Å; R141-E145 PolarHBondContact O-N 3.36Å; R141-V155 HydrophobicContact CG-CB 3.7Å; R141-V155 HydrophobicContact CG-CG1 4.06Å; R141-V155 HydrophobicContact CG-CG2 4.15Å; R141-V155 PolarHBondContact NE-O 2.94Å; R141-V155 PolarHBondContact NH2-O 2.64Å
142K98.7Very high98Very high118 Ų11858.4 Ų58.451%0.51329%0.294SS..Hα-helixtrans-60.3-38177-72.7172.5-176.7175.80112.2D138 F139 E145 R146D138-K142 WeakPolarHBondContact O-CB 3.42Å; D138-K142 VanDerWaalsContact O-CG 3.28Å; D138-K142 WeakPolarHBondContact O-CG 3.25Å; D138-K142 PolarHBondContact O-N 3.22Å; D138-K142 VanDerWaalsContact O-N 3.1Å; F139-K142 PolarHBondContact O-N 2.9Å; K142-E145 PolarHBondContact O-N 2.86Å; K142-R146 WeakPolarHBondContact O-CB 3.27Å; K142-R146 PolarHBondContact O-N 2.85Å
143N98.9Very high98.2Very high0 Ų056.4 Ų56.40%028%0.28CS..Hα-helixtrans-67.7-40.4176.2-75.5-33.5000112.3V68 D69 A111 L117 F139 A140 R141 R146 N147V68-N143 HydrophobicContact CG1-CB 4.44Å; D69-N143 PolarHBondContact N-OD1 3.47Å; D69-N143 PolarHBondContact O-ND2 3.43Å; D69-N143 PolarHBondContact O-OD1 2.78Å; A111-N143 PolarHBondContact O-ND2 3.1Å; L117-N143 HydrophobicContact CD1-CB 4.25Å; F139-N143 WeakPolarHBondContact O-CB 3.22Å; F139-N143 VanDerWaalsContact O-CG 3.26Å; F139-N143 PolarHBondContact O-N 2.79Å; F139-N143 PolarHBondContact O-ND2 2.93Å; A140-N143 PolarHBondContact O-N 2.76Å; R141-N143 VanDerWaalsContact C-N 3.28Å; R141-N143 PolarHBondContact O-N 3.45Å; N143-R146 PolarHBondContact OD1-NH1 3.19Å; N143-N147 PolarHBondContact O-N 3.31Å; N143-N147 PolarHBondContact O-ND2 3.48Å
144V98.9Very high98.3Very high5 Ų558.7 Ų58.73%0.0330%0.295CS..Hα-helixtrans-62.9-46.2173.6169.70000111.1L117 A140 R141 N147 S148 L149 Q150 I153 V155L117-V144 HydrophobicContact CD2-CG2 4.31Å; A140-V144 VanDerWaalsContact O-CG2 3.31Å; A140-V144 WeakPolarHBondContact O-CG2 3.35Å; A140-V144 PolarHBondContact O-N 3.15Å; R141-V144 PolarHBondContact O-N 3.49Å; V144-N147 PolarHBondContact O-N 2.98Å; V144-S148 PolarHBondContact O-N 3.23Å; V144-L149 HydrophobicContact CG1-CB 4.25Å; V144-L149 PolarHBondContact O-N 2.94Å; V144-Q150 HydrophobicContact CG1-CB 4.16Å; V144-I153 HydrophobicContact CG1-CB 3.95Å; V144-I153 HydrophobicContact CG1-CG2 4.4Å; V144-I153 HydrophobicContact CG2-CB 3.98Å; V144-I153 HydrophobicContact CG2-CD1 4.1Å; V144-I153 HydrophobicContact CG2-CG2 3.62Å; V144-V155 HydrophobicContact CG2-CG2 3.99Å
145E98.7Very high98.4Very high120 Ų12055.8 Ų55.856%0.56127%0.274SS*.Hα-helixtrans-62.4-47.3178-175.7-179.5-170.600112R141 K142 N147 S148R141-E145 WeakPolarHBondContact O-CB 3.4Å; R141-E145 PolarHBondContact O-N 3.36Å; K142-E145 PolarHBondContact O-N 2.86Å; E145-N147 PolarHBondContact O-N 3.1Å; E145-N147 VanDerWaalsContact O-N 3.11Å; E145-S148 WeakPolarHBondContact O-CA 3.3Å; E145-S148 PolarHBondContact O-N 3.33Å
146R98.5Very high98.4Very high119 Ų11954.9 Ų54.945%0.44927%0.266SS..Hα-helixtrans-57.3-28.9178.8-172.8179.9-65.5129.6-8.4113.1F67 K142 N143F67-R146 HydrophobicContact CB-CG 4.16Å; F67-R146 WeakPolarHBondContact O-CD 3.43Å; K142-R146 WeakPolarHBondContact O-CB 3.27Å; K142-R146 PolarHBondContact O-N 2.85Å; N143-R146 PolarHBondContact OD1-NH1 3.19Å
147N98.7Very high98.4Very high16 Ų1658.9 Ų58.99%0.08629%0.285CS..THydrogen-bonded Turntrans-98.96.7177.6-67.2-77.5000113.2L66 F67 L117 N143 V144 E145 L149L66-N147 VanDerWaalsContact CA-OD1 3.31Å; L66-N147 WeakPolarHBondContact CA-OD1 3.29Å; L66-N147 HydrophobicContact CD2-CB 4.11Å; F67-N147 PolarHBondContact N-OD1 2.61Å; F67-N147 PolarHBondContact O-ND2 3.26Å; L117-N147 HydrophobicContact CD2-CB 4.48Å; N143-N147 PolarHBondContact O-N 3.31Å; N143-N147 PolarHBondContact O-ND2 3.48Å; V144-N147 PolarHBondContact O-N 2.98Å; E145-N147 PolarHBondContact O-N 3.1Å; E145-N147 VanDerWaalsContact O-N 3.11Å; N147-L149 VanDerWaalsContact C-N 3.25Å; N147-L149 HydrophobicContact CB-CD1 4.19Å; N147-L149 HydrophobicContact CB-CG 4.07Å; N147-L149 WeakPolarHBondContact O-CG 3.32Å; N147-L149 PolarHBondContact O-N 3.35Å
148S98.6Very high98.3Very high86 Ų8659.1 Ų59.160%0.60129%0.286SS*.THydrogen-bonded Turntrans57.432.2-179-50.60000114.2V144 E145 H151V144-S148 PolarHBondContact O-N 3.23Å; E145-S148 WeakPolarHBondContact O-CA 3.3Å; E145-S148 PolarHBondContact O-N 3.33Å; S148-H151 PolarHBondContact O-CE1 3.36Å; S148-H151 PolarHBondContact O-ND1 3.22Å; S148-H151 VanDerWaalsContact O-ND1 3.15Å
149L98.7Very high98Very high13 Ų1356.8 Ų56.87%0.06828%0.278CS..  trans-101.710-174.7-62.9-175.3000114.4L66 L117 V120 V144 N147 H151 V152 I153L66-L149 HydrophobicContact CD2-CD1 4.34Å; L117-L149 HydrophobicContact CD2-CD1 3.8Å; V120-L149 HydrophobicContact CB-CD1 4.15Å; V120-L149 HydrophobicContact CG1-CD1 3.95Å; V120-L149 HydrophobicContact CG1-CD2 3.83Å; V120-L149 HydrophobicContact CG1-CG 4.46Å; V144-L149 HydrophobicContact CG1-CB 4.25Å; V144-L149 PolarHBondContact O-N 2.94Å; N147-L149 VanDerWaalsContact C-N 3.25Å; N147-L149 HydrophobicContact CB-CD1 4.19Å; N147-L149 HydrophobicContact CB-CG 4.07Å; N147-L149 WeakPolarHBondContact O-CG 3.32Å; N147-L149 PolarHBondContact O-N 3.35Å; L149-H151 PolarHBondContact O-N 3.4Å; L149-H151 VanDerWaalsContact O-N 3.09Å; L149-V152 HydrophobicContact CB-CG2 4.1Å; L149-V152 HydrophobicContact CD2-CG2 4.19Å; L149-V152 VanDerWaalsContact O-CG2 3.31Å; L149-V152 WeakPolarHBondContact O-CG2 3.29Å; L149-V152 PolarHBondContact O-N 2.9Å; L149-I153 HydrophobicContact CB-CD1 3.86Å; L149-I153 HydrophobicContact CB-CG1 4.38Å; L149-I153 HydrophobicContact CD1-CD1 4Å; L149-I153 PolarHBondContact O-N 3.05Å
150Q98.3Very high97.3Very high133 Ų13361.3 Ų61.362%0.62130%0.298SS*.THydrogen-bonded Turntrans-59.8-20-179.150.7-179.7-30.100114.9V144 V152V144-Q150 HydrophobicContact CG1-CB 4.16Å; Q150-V152 VanDerWaalsContact C-N 3.35Å
151H97.9Very high96.6Very high143 Ų14368.4 Ų68.466%0.66234%0.336SS*.THydrogen-bonded Turntrans-81.5-11.6176.364.7-77000113.7S148 L149S148-H151 PolarHBondContact O-CE1 3.36Å; S148-H151 PolarHBondContact O-ND1 3.22Å; S148-H151 VanDerWaalsContact O-ND1 3.15Å; L149-H151 PolarHBondContact O-N 3.4Å; L149-H151 VanDerWaalsContact O-N 3.09Å
152V98.2Very high96.2Very high24 Ų2467.1 Ų67.115%0.14534%0.335CS..THydrogen-bonded Turntrans-127-13179.7-72.50000113.7V120 K126 F127 L149 Q150V120-V152 HydrophobicContact CG1-CG2 3.92Å; V120-V152 HydrophobicContact CG2-CB 4.3Å; V120-V152 HydrophobicContact CG2-CG2 3.74Å; K126-V152 CarbonylContact C-O 3.56Å; K126-V152 VanDerWaalsContact CA-O 3.29Å; K126-V152 WeakPolarHBondContact CA-O 3.49Å; K126-V152 HydrophobicContact CD-CG1 4.38Å; K126-V152 HydrophobicContact CG-CB 4.1Å; K126-V152 HydrophobicContact CG-CG1 3.95Å; F127-V152 PolarHBondContact N-O 3.39Å; L149-V152 HydrophobicContact CB-CG2 4.1Å; L149-V152 HydrophobicContact CD2-CG2 4.19Å; L149-V152 VanDerWaalsContact O-CG2 3.31Å; L149-V152 WeakPolarHBondContact O-CG2 3.29Å; L149-V152 PolarHBondContact O-N 2.9Å; Q150-V152 VanDerWaalsContact C-N 3.35Å
153I98.6Very high95.8Very high4 Ų463 Ų632%0.02132%0.321CS..EExtended strand (participates in β ladder)trans-124.9120.1176.1-54.9169000109.3P116 L117 V120 F127 A129 V144 L149 V155P116-I153 HydrophobicContact CB-CD1 3.72Å; P116-I153 HydrophobicContact CB-CG1 3.98Å; P116-I153 HydrophobicContact CB-CG2 3.72Å; P116-I153 HydrophobicContact CG-CG2 4.45Å; L117-I153 HydrophobicContact CD2-CD1 3.86Å; L117-I153 HydrophobicContact CG-CD1 4.47Å; V120-I153 HydrophobicContact CG2-CD1 3.78Å; V120-I153 HydrophobicContact CG2-CG1 3.69Å; F127-I153 HydrophobicContact CB-CG1 4.35Å; F127-I153 HydrophobicContact CB-CG2 4.32Å; F127-I153 WeakPolarHBondContact O-CA 3.49Å; A129-I153 HydrophobicContact CB-CG2 4.25Å; V144-I153 HydrophobicContact CG1-CB 3.95Å; V144-I153 HydrophobicContact CG1-CG2 4.4Å; V144-I153 HydrophobicContact CG2-CB 3.98Å; V144-I153 HydrophobicContact CG2-CD1 4.1Å; V144-I153 HydrophobicContact CG2-CG2 3.62Å; L149-I153 HydrophobicContact CB-CD1 3.86Å; L149-I153 HydrophobicContact CB-CG1 4.38Å; L149-I153 HydrophobicContact CD1-CD1 4Å; L149-I153 PolarHBondContact O-N 3.05Å; I153-V155 HydrophobicContact CG2-CG2 4.31Å
154T98.2Very high95.6Very high72 Ų7264.2 Ų64.244%0.44233%0.327SS..EExtended strand (participates in β ladder)trans-108.2121.5172.2-55.80000109.6F127 L128 A129 V156 F171F127-T154 PolarHBondContact O-N 2.72Å; L128-T154 HydrophobicContact CD1-CG2 4.46Å; A129-T154 PolarHBondContact N-O 3.17Å; T154-V156 HydrophobicContact CG2-CG2 4.17Å; T154-F171 HydrophobicContact CG2-CE1 4.49Å
155V98.6Very high95.3Very high12 Ų1268.3 Ų68.37%0.07334%0.343CS..EExtended strand (participates in β ladder)trans-100.1121.6178.4-173.90000110.7A129 V137 A140 R141 V144 I153A129-V155 HydrophobicContact CB-CG2 4.2Å; A129-V155 CarbonylContact O-C 3.5Å; A129-V155 WeakPolarHBondContact O-CA 3.32Å; V137-V155 HydrophobicContact CG1-CG1 4.16Å; A140-V155 HydrophobicContact CB-CG1 3.93Å; A140-V155 HydrophobicContact CB-CG2 4.26Å; R141-V155 HydrophobicContact CG-CB 3.7Å; R141-V155 HydrophobicContact CG-CG1 4.06Å; R141-V155 HydrophobicContact CG-CG2 4.15Å; R141-V155 PolarHBondContact NE-O 2.94Å; R141-V155 PolarHBondContact NH2-O 2.64Å; V144-V155 HydrophobicContact CG2-CG2 3.99Å; I153-V155 HydrophobicContact CG2-CG2 4.31Å
156V97.6Very high95Very high29 Ų2967.2 Ų67.218%0.17634%0.341CS..EExtended strand (participates in β ladder)trans-117.9131.1-177.1-179.80000110.8L128 A129 E131 T154 V158 V167 F171L128-V156 HydrophobicContact CD1-CB 4.26Å; L128-V156 HydrophobicContact CD1-CG2 3.48Å; L128-V156 VanDerWaalsContact CD1-CG2 3.48Å; A129-V156 PolarHBondContact O-N 2.88Å; E131-V156 PolarHBondContact N-O 3.49Å; T154-V156 HydrophobicContact CG2-CG2 4.17Å; V156-V158 HydrophobicContact CG1-CG2 4.01Å; V156-V167 HydrophobicContact CG1-CG1 4.12Å; V156-F171 HydrophobicContact CG2-CE2 4.32Å; V156-F171 HydrophobicContact CG2-CZ 3.75Å
157H97.7Very high94.7Very high84 Ų8461.9 Ų61.939%0.38932%0.322SS..EExtended strand (participates in β ladder)trans-81.1128.5169.1179.4-130.6000109.7E131 S132 V137E131-H157 CarbonylContact O-C 3.56Å; E131-H157 VanDerWaalsContact O-CA 3.29Å; E131-H157 WeakPolarHBondContact O-CA 3.28Å; S132-H157 PolarHBondContact O-NE2 3.18Å; V137-H157 HydrophobicContact CG1-CB 4.29Å; V137-H157 HydrophobicContact CG2-CB 3.82Å
158V95.6Very high94.5Very high7 Ų761.1 Ų61.14%0.04232%0.318CS..  trans-128.6115.7176.61790000108.8I130 E131 S132 V156 Q162 L164 V167I130-V158 HydrophobicContact CG2-CB 3.93Å; I130-V158 HydrophobicContact CG2-CG2 3.57Å; E131-V158 PolarHBondContact O-N 2.91Å; S132-V158 WeakPolarHBondContact CA-O 3.19Å; S132-V158 VanDerWaalsContact CB-O 3.28Å; S132-V158 WeakPolarHBondContact CB-O 3.35Å; V156-V158 HydrophobicContact CG1-CG2 4.01Å; V158-Q162 HydrophobicContact CG1-CB 3.83Å; V158-Q162 HydrophobicContact CG1-CG 4.08Å; V158-L164 HydrophobicContact CG1-CD2 4.3Å; V158-V167 HydrophobicContact CG1-CG2 3.99Å; V158-V167 HydrophobicContact CG2-CB 4.25Å; V158-V167 HydrophobicContact CG2-CG1 3.76Å; V158-V167 HydrophobicContact CG2-CG2 3.77Å
159A91.7Very high94.3Very high34 Ų3460 Ų6028%0.28131%0.305SS..  trans-61.2154-18000000111.4D161 Q162A159-D161 WeakPolarHBondContact CB-OD1 3.31Å; A159-D161 PolarHBondContact O-N 3.42Å; A159-D161 VanDerWaalsContact O-N 3.09Å; A159-Q162 HydrophobicContact CB-CB 4.15Å; A159-Q162 WeakPolarHBondContact O-CB 3.35Å; A159-Q162 PolarHBondContact O-N 3.12Å
160K84.3Confident94Very high151 Ų15163.5 Ų63.566%0.65733%0.331SS*.THydrogen-bonded Turntrans-57.8-28.5-174-73.7-177.4178.5175.10113.9E211K160-E211 IonicContact NZ-OE1 3.97Å
161D84.6Confident93.7Very high150 Ų15060 Ų6080%0.80231%0.313SS*.THydrogen-bonded Turntrans-96.6-8.5179.960.2-37.9000113.4A159A159-D161 WeakPolarHBondContact CB-OD1 3.31Å; A159-D161 PolarHBondContact O-N 3.42Å; A159-D161 VanDerWaalsContact O-N 3.09Å
162Q89.7Confident93.1Very high90 Ų9063 Ų6342%0.42133%0.328SS..SBendtrans-76.2135.2179.7-172.9176.710.300111V158 A159 L164 V167V158-Q162 HydrophobicContact CG1-CB 3.83Å; V158-Q162 HydrophobicContact CG1-CG 4.08Å; A159-Q162 HydrophobicContact CB-CB 4.15Å; A159-Q162 WeakPolarHBondContact O-CB 3.35Å; A159-Q162 PolarHBondContact O-N 3.12Å; Q162-L164 PolarHBondContact O-N 3.19Å; Q162-V167 HydrophobicContact CG-CG2 3.95Å; Q162-V167 VanDerWaalsContact NE2-CG2 3.35Å
163S90.8Very high92.5Very high32 Ų3264.4 Ų64.422%0.22433%0.332CS..  trans-66.8122.2178.2177.80000111.6Y165 D166 V167S163-Y165 PolarHBondContact O-N 2.8Å; S163-Y165 WeakPolarHBondContact OG-CB 3.34Å; S163-Y165 PolarHBondContact OG-N 3.21Å; S163-D166 VanDerWaalsContact CB-OD2 3.23Å; S163-D166 WeakPolarHBondContact CB-OD2 3.09Å; S163-D166 PolarHBondContact O-N 3.22Å; S163-D166 PolarHBondContact OG-N 3.35Å; S163-V167 PolarHBondContact O-N 3.04Å
164L93.2Very high91.8Very high24 Ų2469.1 Ų69.113%0.12636%0.363CS..Hα-helixtrans-61.2-32.3170.4-73.6176.6000111.3I107 I130 V158 Q162 D166 V167 I168 L226I107-L164 HydrophobicContact CD1-CD1 4.22Å; I107-L164 HydrophobicContact CG2-CD1 4.43Å; I130-L164 HydrophobicContact CD1-CD2 4.02Å; I130-L164 HydrophobicContact CG2-CD2 4.02Å; V158-L164 HydrophobicContact CG1-CD2 4.3Å; Q162-L164 PolarHBondContact O-N 3.19Å; L164-D166 VanDerWaalsContact C-N 3.34Å; L164-D166 PolarHBondContact O-N 3.27Å; L164-V167 PolarHBondContact O-N 2.97Å; L164-I168 HydrophobicContact CB-CD1 4.25Å; L164-I168 WeakPolarHBondContact O-CB 3.21Å; L164-I168 WeakPolarHBondContact O-CD1 2.95Å; L164-I168 VanDerWaalsContact O-CG1 3.23Å; L164-I168 WeakPolarHBondContact O-CG1 3.4Å; L164-I168 PolarHBondContact O-N 3.32Å; L164-L226 HydrophobicContact CD1-CD2 3.94Å
165Y92.3Very high91.7Very high91 Ų9167.6 Ų67.636%0.35735%0.351SS..Hα-helixtrans-57.1-46.6174.6176.4-88.1000111.9S163 N169 K232 L233S163-Y165 PolarHBondContact O-N 2.8Å; S163-Y165 WeakPolarHBondContact OG-CB 3.34Å; S163-Y165 PolarHBondContact OG-N 3.21Å; Y165-N169 VanDerWaalsContact CD2-ND2 3.33Å; Y165-N169 WeakPolarHBondContact CD2-ND2 3.35Å; Y165-N169 VanDerWaalsContact CE1-ND2 3.34Å; Y165-N169 WeakPolarHBondContact CE1-ND2 3.28Å; Y165-N169 WeakPolarHBondContact CE2-ND2 3.28Å; Y165-N169 VanDerWaalsContact O-CB 3.29Å; Y165-N169 WeakPolarHBondContact O-CB 3.36Å; Y165-N169 PolarHBondContact O-N 3.39Å; Y165-N169 PolarHBondContact O-ND2 2.86Å; Y165-K232 HydrophobicContact CD2-CB 3.62Å; Y165-K232 HydrophobicContact CE2-CB 4.13Å; Y165-K232 WeakPolarHBondContact CE2-O 3.36Å; Y165-K232 HydrophobicContact CG-CB 4.36Å; Y165-L233 HydrophobicContact CD2-CD2 3.95Å; Y165-L233 HydrophobicContact CD2-CG 4.09Å
166D92.4Very high91.6Very high97 Ų9767.5 Ų67.552%0.51935%0.349SS..Hα-helixtrans-68.8-42.8-178.2-63.1-27.9000111.2S163 L164 N169 S170S163-D166 VanDerWaalsContact CB-OD2 3.23Å; S163-D166 WeakPolarHBondContact CB-OD2 3.09Å; S163-D166 PolarHBondContact O-N 3.22Å; S163-D166 PolarHBondContact OG-N 3.35Å; L164-D166 VanDerWaalsContact C-N 3.34Å; L164-D166 PolarHBondContact O-N 3.27Å; D166-N169 PolarHBondContact O-N 3.25Å; D166-S170 PolarHBondContact O-N 3.36Å
167V93.4Very high91.6Very high7 Ų766.3 Ų66.34%0.04234%0.342CS..Hα-helixtrans-63-46.2178.3175.80000111.4V156 V158 Q162 S163 L164 N169 S170 F171V156-V167 HydrophobicContact CG1-CG1 4.12Å; V158-V167 HydrophobicContact CG1-CG2 3.99Å; V158-V167 HydrophobicContact CG2-CB 4.25Å; V158-V167 HydrophobicContact CG2-CG1 3.76Å; V158-V167 HydrophobicContact CG2-CG2 3.77Å; Q162-V167 HydrophobicContact CG-CG2 3.95Å; Q162-V167 VanDerWaalsContact NE2-CG2 3.35Å; S163-V167 PolarHBondContact O-N 3.04Å; L164-V167 PolarHBondContact O-N 2.97Å; V167-N169 VanDerWaalsContact C-N 3.35Å; V167-S170 PolarHBondContact O-N 2.91Å; V167-S170 PolarHBondContact O-OG 3.45Å; V167-F171 HydrophobicContact CG1-CE2 4.46Å; V167-F171 WeakPolarHBondContact O-CD2 3.44Å
168I95.2Very high91.7Very high0 Ų062.3 Ų62.30%032%0.323CS..Hα-helixtrans-71.5-34.2-176.9-67.5165000110.8I105 I130 L164 S170 F171 F176 L233 K236 I237I105-I168 HydrophobicContact CD1-CD1 3.88Å; I105-I168 HydrophobicContact CD1-CG1 3.94Å; I105-I168 HydrophobicContact CD1-CG2 3.95Å; I130-I168 HydrophobicContact CD1-CG1 4.24Å; L164-I168 HydrophobicContact CB-CD1 4.25Å; L164-I168 WeakPolarHBondContact O-CB 3.21Å; L164-I168 WeakPolarHBondContact O-CD1 2.95Å; L164-I168 VanDerWaalsContact O-CG1 3.23Å; L164-I168 WeakPolarHBondContact O-CG1 3.4Å; L164-I168 PolarHBondContact O-N 3.32Å; I168-S170 VanDerWaalsContact C-N 3.33Å; I168-F171 PolarHBondContact O-N 3.47Å; I168-F176 HydrophobicContact CG2-CD2 4.15Å; I168-F176 HydrophobicContact CG2-CE2 3.93Å; I168-L233 HydrophobicContact CB-CD2 3.93Å; I168-L233 HydrophobicContact CD1-CD1 3.72Å; I168-L233 HydrophobicContact CD1-CD2 4.32Å; I168-L233 HydrophobicContact CG2-CD2 3.8Å; I168-K236 HydrophobicContact CG2-CG 3.85Å; I168-K236 WeakPolarHBondContact O-CE 3.5Å; I168-I237 HydrophobicContact CD1-CD1 4.26Å
169N93.2Very high91.8Very high62 Ų6262 Ų6233%0.33232%0.321SS..Hα-helixtrans-76.4-16.9176.4-75.8-48.6000114Y165 D166 V167 F171Y165-N169 VanDerWaalsContact CD2-ND2 3.33Å; Y165-N169 WeakPolarHBondContact CD2-ND2 3.35Å; Y165-N169 VanDerWaalsContact CE1-ND2 3.34Å; Y165-N169 WeakPolarHBondContact CE1-ND2 3.28Å; Y165-N169 WeakPolarHBondContact CE2-ND2 3.28Å; Y165-N169 VanDerWaalsContact O-CB 3.29Å; Y165-N169 WeakPolarHBondContact O-CB 3.36Å; Y165-N169 PolarHBondContact O-N 3.39Å; Y165-N169 PolarHBondContact O-ND2 2.86Å; D166-N169 PolarHBondContact O-N 3.25Å; V167-N169 VanDerWaalsContact C-N 3.35Å; N169-F171 PolarHBondContact O-N 3.23Å
170S92.8Very high92.1Very high88 Ų8860.3 Ų60.362%0.61531%0.308SS*.THydrogen-bonded Turntrans-71.3-11.3172.479.80000113.4D166 V167 I168D166-S170 PolarHBondContact O-N 3.36Å; V167-S170 PolarHBondContact O-N 2.91Å; V167-S170 PolarHBondContact O-OG 3.45Å; I168-S170 VanDerWaalsContact C-N 3.33Å
171F91.3Very high92.8Very high59 Ų5953.2 Ų53.226%0.25928%0.277SS..SBendtrans-88.4121.2173.7-72.8-93.6000110.8L128 T154 V156 V167 I168 N169 F173 F176 K236L128-F171 HydrophobicContact CD1-CE1 3.94Å; L128-F171 HydrophobicContact CD1-CE2 3.8Å; L128-F171 HydrophobicContact CD1-CZ 3.46Å; L128-F171 VanDerWaalsContact CD1-CZ 3.46Å; L128-F171 HydrophobicContact CD2-CD2 3.83Å; L128-F171 HydrophobicContact CD2-CE2 3.75Å; L128-F171 HydrophobicContact CD2-CG 4.38Å; L128-F171 HydrophobicContact CD2-CZ 4.22Å; L128-F171 HydrophobicContact CG-CE2 4.46Å; T154-F171 HydrophobicContact CG2-CE1 4.49Å; V156-F171 HydrophobicContact CG2-CE2 4.32Å; V156-F171 HydrophobicContact CG2-CZ 3.75Å; V167-F171 HydrophobicContact CG1-CE2 4.46Å; V167-F171 WeakPolarHBondContact O-CD2 3.44Å; I168-F171 PolarHBondContact O-N 3.47Å; N169-F171 PolarHBondContact O-N 3.23Å; F171-F173 PolarHBondContact O-N 3.43Å; F171-F176 HydrophobicContact CB-CZ 4.25Å; F171-K236 PolarHBondContact O-NZ 3.35Å; F171-K236 VanDerWaalsContact O-NZ 3.08Å
172E85.9Confident93.3Very high205 Ų20547.2 Ų47.296%0.95825%0.245SC*.  trans-71.368.9172.1-64.6-171.1161.200111.1
173F84.8Confident93.6Very high55 Ų5543 Ų4324%0.24123%0.226CC..  trans-135.6133.6174-161.9-115.4000109.2H103 F171 H175 F176 K236H103-F173 HydrophobicContact CB-CD1 4.18Å; H103-F173 HydrophobicContact CB-CE1 3.41Å; H103-F173 VanDerWaalsContact CB-CE1 3.41Å; H103-F173 HydrophobicContact CB-CZ 3.85Å; H103-F173 AromaticContact CD2-CZ 3.54Å; H103-F173 AromaticContact CE1-CE2 3.45Å; H103-F173 VanDerWaalsContact CE1-CE2 3.45Å; H103-F173 WeakPolarHBondContact CE1-CE2 3.45Å; H103-F173 AromaticContact CE1-CZ 3.51Å; H103-F173 AromaticContact CG-CE1 3.45Å; H103-F173 VanDerWaalsContact CG-CE1 3.45Å; H103-F173 AromaticContact CG-CZ 3.34Å; H103-F173 AromaticContact ND1-CE1 3.57Å; H103-F173 AromaticContact ND1-CE2 3.6Å; H103-F173 AromaticContact ND1-CZ 3.34Å; H103-F173 VanDerWaalsContact ND1-CZ 3.34Å; H103-F173 WeakPolarHBondContact ND1-CZ 3.28Å; H103-F173 AromaticContact NE2-CE2 3.89Å; H103-F173 AromaticContact NE2-CZ 3.67Å; F171-F173 PolarHBondContact O-N 3.43Å; F173-H175 VanDerWaalsContact C-N 3.3Å; F173-H175 WeakPolarHBondContact CD1-O 2.85Å; F173-H175 WeakPolarHBondContact CE1-O 3.28Å; F173-H175 PolarHBondContact O-N 3.07Å; F173-F176 HydrophobicContact CD1-CD1 4.49Å; F173-K236 PolarHBondContact O-NZ 3.33Å
174P85.5Confident93.7Very high103 Ų10342.1 Ų42.167%0.66922%0.219SC*.SBendtrans-59.7-40.5-170.221.3-32.9000112.4
175H94.2Very high93.6Very high40 Ų4042.2 Ų42.219%0.18522%0.218CC..  trans-164.3150.6174.961.3-88.6000110F173 K236 R238F173-H175 VanDerWaalsContact C-N 3.3Å; F173-H175 WeakPolarHBondContact CD1-O 2.85Å; F173-H175 WeakPolarHBondContact CE1-O 3.28Å; F173-H175 PolarHBondContact O-N 3.07Å; H175-K236 CarbonylContact C-O 3.5Å; H175-K236 WeakPolarHBondContact CA-O 3.29Å; H175-R238 HydrophobicContact CB-CG 4.47Å; H175-R238 VanDerWaalsContact CD2-CG 3.4Å; H175-R238 WeakPolarHBondContact CD2-CG 3.38Å
176F97.9Very high93.6Very high9 Ų938.9 Ų38.94%0.03921%0.206CC..EExtended strand (participates in β ladder)trans-88.1148.9163.9-63.8-94.6000109.7H103 I105 L128 I168 F171 F173 K236 I237 R238H103-F176 HydrophobicContact CB-CD1 4.24Å; I105-F176 HydrophobicContact CD1-CB 4.14Å; I105-F176 HydrophobicContact CD1-CD1 4.04Å; I105-F176 HydrophobicContact CD1-CD2 3.66Å; I105-F176 HydrophobicContact CD1-CE1 4.35Å; I105-F176 HydrophobicContact CD1-CE2 4.01Å; I105-F176 HydrophobicContact CD1-CG 3.67Å; I105-F176 HydrophobicContact CD1-CZ 4.34Å; I105-F176 HydrophobicContact CG1-CB 4.25Å; I105-F176 HydrophobicContact CG1-CD1 3.62Å; I105-F176 HydrophobicContact CG1-CD2 4.2Å; I105-F176 HydrophobicContact CG1-CE1 3.93Å; I105-F176 HydrophobicContact CG1-CE2 4.47Å; I105-F176 HydrophobicContact CG1-CG 3.76Å; I105-F176 HydrophobicContact CG1-CZ 4.34Å; L128-F176 HydrophobicContact CB-CE1 4.04Å; L128-F176 HydrophobicContact CB-CZ 4.46Å; L128-F176 HydrophobicContact CD2-CE1 4.36Å; L128-F176 HydrophobicContact CD2-CZ 3.97Å; I168-F176 HydrophobicContact CG2-CD2 4.15Å; I168-F176 HydrophobicContact CG2-CE2 3.93Å; F171-F176 HydrophobicContact CB-CZ 4.25Å; F173-F176 HydrophobicContact CD1-CD1 4.49Å; F176-K236 PolarHBondContact N-O 2.78Å; F176-I237 HydrophobicContact CB-CG1 4.29Å; F176-I237 CarbonylContact O-C 3.57Å; F176-I237 VanDerWaalsContact O-CA 3.29Å; F176-I237 WeakPolarHBondContact O-CA 3.45Å; F176-R238 WeakPolarHBondContact O-CG 3.31Å; F176-R238 PolarHBondContact O-N 3.11Å
177H98Very high93.5Very high4 Ų435.8 Ų35.82%0.01919%0.189CC..EExtended strand (participates in β ladder)trans-75.6-42.7-178.5-63.768000110.8M93 F97 E100 H101 I102 H103 R238 I239M93-H177 HydrophobicContact SD-CB 3.81Å; F97-H177 HydrophobicContact CD2-CB 4.36Å; F97-H177 AromaticContact CD2-CD2 3.95Å; F97-H177 AromaticContact CG-CD2 3.82Å; E100-H177 IonicContact OE2-NE2 3.51Å; E100-H177 PolarHBondContact OE2-NE2 3.28Å; H101-H177 PolarHBondContact O-CE1 3.31Å; I102-H177 WeakPolarHBondContact CD1-CD2 2.83Å; I102-H177 HydrophobicContact CG2-CB 3.96Å; H103-H177 PolarHBondContact N-ND1 2.87Å; H103-H177 PolarHBondContact O-N 2.99Å; H103-H177 PolarHBondContact O-ND1 3.12Å; H177-R238 WeakPolarHBondContact O-CB 3.38Å; H177-I239 PolarHBondContact O-N 2.86Å
178F98.2Very high93.4Very high0 Ų038.8 Ų38.80%021%0.208CC..EExtended strand (participates in β ladder)trans-150.4160.4172.169.9-86.5000113.1L89 M93 I102 C104 I105 W125 M180 I239L89-F178 HydrophobicContact CD1-CD2 4.08Å; L89-F178 HydrophobicContact CD1-CE2 3.63Å; L89-F178 HydrophobicContact CD1-CZ 4.19Å; L89-F178 HydrophobicContact CD2-CD2 4.13Å; L89-F178 HydrophobicContact CD2-CE2 4.45Å; L89-F178 HydrophobicContact CG-CE2 4.44Å; M93-F178 HydrophobicContact CE-CB 4.13Å; M93-F178 HydrophobicContact CE-CD1 3.81Å; M93-F178 HydrophobicContact CE-CG 4.28Å; M93-F178 HydrophobicContact CG-CD1 4.09Å; M93-F178 HydrophobicContact CG-CE1 4.12Å; M93-F178 HydrophobicContact SD-CD1 3.45Å; M93-F178 WeakPolarHBondContact SD-CD1 3.32Å; M93-F178 HydrophobicContact SD-CE1 4.05Å; M93-F178 HydrophobicContact SD-CG 4.43Å; I102-F178 HydrophobicContact CG2-CD1 4.17Å; I102-F178 HydrophobicContact CG2-CE1 3.78Å; C104-F178 CarbonylContact C-O 3.59Å; C104-F178 WeakPolarHBondContact CA-O 3.48Å; C104-F178 HydrophobicContact CB-CD1 3.69Å; C104-F178 HydrophobicContact CB-CD2 3.93Å; C104-F178 HydrophobicContact CB-CE1 3.35Å; C104-F178 HydrophobicContact CB-CE2 3.55Å; C104-F178 HydrophobicContact CB-CG 3.98Å; C104-F178 HydrophobicContact CB-CZ 3.25Å; C104-F178 WeakPolarHBondContact CB-O 3.49Å; C104-F178 WeakPolarHBondContact SG-CZ 3.19Å; I105-F178 PolarHBondContact N-O 2.6Å; W125-F178 HydrophobicContact CD2-CE1 4.16Å; W125-F178 HydrophobicContact CD2-CZ 4.32Å; W125-F178 AromaticContact CE3-CE1 3.73Å; W125-F178 HydrophobicContact CE3-CE1 3.73Å; W125-F178 AromaticContact CE3-CZ 3.46Å; W125-F178 HydrophobicContact CE3-CZ 3.46Å; W125-F178 VanDerWaalsContact CE3-CZ 3.46Å; W125-F178 HydrophobicContact CH2-CE1 4.06Å; W125-F178 HydrophobicContact CH2-CZ 4.1Å; W125-F178 HydrophobicContact CZ2-CE1 4.45Å; W125-F178 AromaticContact CZ3-CE1 3.69Å; W125-F178 HydrophobicContact CZ3-CE1 3.69Å; W125-F178 HydrophobicContact CZ3-CE2 4.43Å; W125-F178 AromaticContact CZ3-CZ 3.34Å; W125-F178 HydrophobicContact CZ3-CZ 3.34Å; F178-M180 HydrophobicContact CD2-CB 4.32Å; F178-M180 HydrophobicContact CE2-CB 4.15Å; F178-M180 HydrophobicContact CE2-CG 4.18Å; F178-M180 HydrophobicContact CE2-SD 3.99Å; F178-I239 CarbonylContact C-O 3.43Å; F178-I239 WeakPolarHBondContact CA-O 3.31Å; F178-I239 HydrophobicContact CB-CB 4.13Å; F178-I239 WeakPolarHBondContact CB-O 3.37Å
179W97.9Very high93Very high0 Ų045.3 Ų45.30%024%0.242CC..EExtended strand (participates in β ladder)trans-107158.5154.874.328.7000111I105 I107 L226 E229 L233 I237 I239 Y240 T241 W279I105-W179 HydrophobicContact CB-CB 3.87Å; I105-W179 HydrophobicContact CG2-CB 4.42Å; I105-W179 CarbonylContact O-C 3.35Å; I105-W179 VanDerWaalsContact O-CA 3.23Å; I105-W179 WeakPolarHBondContact O-CA 3.49Å; I107-W179 HydrophobicContact CD1-CB 4.39Å; I107-W179 HydrophobicContact CD1-CD2 3.69Å; I107-W179 HydrophobicContact CD1-CE3 3.57Å; I107-W179 HydrophobicContact CD1-CG 4.09Å; I107-W179 HydrophobicContact CD1-CZ3 4.05Å; W179-L226 VanDerWaalsContact CH2-O 3.28Å; W179-L226 WeakPolarHBondContact CH2-O 3.4Å; W179-L226 HydrophobicContact CZ2-CB 4.09Å; W179-L226 WeakPolarHBondContact CZ2-O 3.3Å; W179-E229 HydrophobicContact CH2-CB 4.29Å; W179-L233 HydrophobicContact CE3-CD1 4.28Å; W179-L233 HydrophobicContact CH2-CD1 4.22Å; W179-L233 HydrophobicContact CZ3-CD1 3.46Å; W179-L233 VanDerWaalsContact CZ3-CD1 3.46Å; W179-I237 HydrophobicContact CB-CD1 4.29Å; W179-I237 HydrophobicContact CB-CG2 4.45Å; W179-I237 HydrophobicContact CD2-CD1 3.95Å; W179-I237 HydrophobicContact CE3-CD1 3.25Å; W179-I237 HydrophobicContact CG-CD1 4.39Å; W179-I237 HydrophobicContact CZ3-CD1 3.89Å; W179-I239 PolarHBondContact N-O 3.22Å; W179-I239 VanDerWaalsContact N-O 3.1Å; W179-Y240 AromaticContact CD2-CD1 3.54Å; W179-Y240 HydrophobicContact CD2-CD1 3.54Å; W179-Y240 HydrophobicContact CD2-CE1 4.11Å; W179-Y240 AromaticContact CE2-CD1 3.27Å; W179-Y240 AromaticContact CE3-CD1 3.93Å; W179-Y240 HydrophobicContact CE3-CD1 3.93Å; W179-Y240 HydrophobicContact CE3-CE1 4.02Å; W179-Y240 HydrophobicContact CG-CD1 4.17Å; W179-Y240 AromaticContact CH2-CD1 3.72Å; W179-Y240 HydrophobicContact CH2-CD1 3.72Å; W179-Y240 AromaticContact CH2-CE1 3.79Å; W179-Y240 HydrophobicContact CH2-CE1 3.79Å; W179-Y240 AromaticContact CZ2-CD1 3.34Å; W179-Y240 HydrophobicContact CZ2-CD1 3.34Å; W179-Y240 AromaticContact CZ2-CE1 3.92Å; W179-Y240 HydrophobicContact CZ2-CE1 3.92Å; W179-Y240 HydrophobicContact CZ2-CG 4.24Å; W179-Y240 HydrophobicContact CZ3-CD1 4.02Å; W179-Y240 AromaticContact CZ3-CE1 3.88Å; W179-Y240 HydrophobicContact CZ3-CE1 3.88Å; W179-Y240 AromaticContact NE1-CD1 3.69Å; W179-T241 PolarHBondContact NE1-O 2.9Å; W179-T241 PolarHBondContact O-N 3.19Å; W179-T241 PolarHBondContact O-OG1 3.49Å; W179-W279 HydrophobicContact CZ2-CH2 4.31Å; W179-W279 AromaticContact CZ2-CZ2 3.9Å; W179-W279 HydrophobicContact CZ2-CZ2 3.9Å; W179-W279 AromaticContact NE1-CH2 3.91Å
180M98.5Very high92.6Very high0 Ų044.1 Ų44.10%024%0.235CC..EExtended strand (participates in β ladder)trans-134.4155.5169.466.3-173.6-58.600110.6Y85 L86 L89 I105 D106 I107 Y115 F127 F178 T241Y85-M180 HydrophobicContact CD1-CE 3.59Å; Y85-M180 HydrophobicContact CE1-CB 4.16Å; Y85-M180 HydrophobicContact CE1-CE 3.77Å; Y85-M180 HydrophobicContact CG-CE 4.05Å; L86-M180 HydrophobicContact CD2-CE 4.13Å; L86-M180 HydrophobicContact CD2-SD 4.1Å; L89-M180 HydrophobicContact CD1-CB 3.96Å; L89-M180 HydrophobicContact CD1-CE 3.76Å; L89-M180 HydrophobicContact CD1-SD 3.88Å; I105-M180 PolarHBondContact O-N 3.36Å; D106-M180 HydrophobicContact CB-CG 4.24Å; I107-M180 PolarHBondContact N-O 2.99Å; Y115-M180 HydrophobicContact CD1-CE 3.24Å; Y115-M180 HydrophobicContact CD1-SD 4.3Å; Y115-M180 HydrophobicContact CD2-CE 3.81Å; Y115-M180 HydrophobicContact CE1-CE 3.58Å; Y115-M180 HydrophobicContact CE2-CE 4.15Å; Y115-M180 HydrophobicContact CG-CE 3.34Å; Y115-M180 HydrophobicContact CG-SD 3.99Å; F127-M180 HydrophobicContact CE1-SD 4.1Å; F178-M180 HydrophobicContact CD2-CB 4.32Å; F178-M180 HydrophobicContact CE2-CB 4.15Å; F178-M180 HydrophobicContact CE2-CG 4.18Å; F178-M180 HydrophobicContact CE2-SD 3.99Å; M180-T241 WeakPolarHBondContact CA-OG1 3.21Å
181C98.2Very high91.8Very high1 Ų144.4 Ų44.41%0.00724%0.235CC..EExtended strand (participates in β ladder)trans-152.9134.9178.8-176.50000110.2I107 P183 L226 M243I107-C181 HydrophobicContact CB-CB 4.11Å; I107-C181 PolarHBondContact O-SG 3.07Å; C181-P183 WeakPolarHBondContact O-CD 3.32Å; C181-L226 HydrophobicContact CB-CD1 3.96Å; C181-M243 PolarHBondContact O-N 3.35Å
182N96.9Very high90.7Very high25 Ų2549.4 Ų49.413%0.13426%0.259CS..  trans-107.487.9163.617668.6000107.9R82 Y115 F185 M243R82-N182 PolarHBondContact NH1-ND2 2.61Å; R82-N182 PolarHBondContact NH1-OD1 2.82Å; Y115-N182 HydrophobicContact CE2-CB 3.82Å; N182-F185 VanDerWaalsContact OD1-CZ 3.28Å; N182-F185 WeakPolarHBondContact OD1-CZ 3.28Å; N182-M243 PolarHBondContact OD1-SD 3.43Å; N182-M243 VanDerWaalsContact OD1-SD 3.4Å
183P95.4Very high89.6Confident2 Ų241.6 Ų41.61%0.01323%0.234CC..  trans-66.6159.3-170.429.6-36.7000111.7C181 F185 E219 F222 V223 M243C181-P183 WeakPolarHBondContact O-CD 3.32Å; P183-F185 HydrophobicContact CG-CD1 4.38Å; P183-F185 HydrophobicContact CG-CE1 4.26Å; P183-F185 WeakPolarHBondContact O-CD1 3.23Å; P183-F185 WeakPolarHBondContact O-CE1 3.4Å; P183-F185 PolarHBondContact O-N 2.88Å; P183-E219 HydrophobicContact CG-CG 4.13Å; P183-F222 HydrophobicContact CB-CD1 3.5Å; P183-F222 VanDerWaalsContact CB-CD1 3.5Å; P183-F222 HydrophobicContact CB-CE1 3.82Å; P183-F222 HydrophobicContact CB-CG 4.15Å; P183-V223 HydrophobicContact CB-CG2 4.34Å; P183-V223 HydrophobicContact CG-CG2 3.97Å; P183-M243 WeakPolarHBondContact CD-O 3.21Å; P183-M243 WeakPolarHBondContact CG-O 3.24Å
184P93.5Very high88.4Confident13 Ų1340.4 Ų40.48%0.08423%0.232CC..  trans-59131.8161.723.6-31.5000110M213 T215 F222P184-M213 VanDerWaalsContact CB-C 3.47Å; P184-T215 HydrophobicContact CB-CG2 4.33Å; P184-T215 HydrophobicContact CG-CG2 3.78Å; P184-F222 HydrophobicContact CG-CD2 3.83Å; P184-F222 HydrophobicContact CG-CE2 3.99Å; P184-F222 HydrophobicContact CG-CG 4.39Å
185F91.2Very high87Confident25 Ų2545.9 Ų45.911%0.1124%0.239CC..  trans-89.4-23.9-167.5-63.7-23000114.2N182 P183 M213 E219 M243 R246N182-F185 VanDerWaalsContact OD1-CZ 3.28Å; N182-F185 WeakPolarHBondContact OD1-CZ 3.28Å; P183-F185 HydrophobicContact CG-CD1 4.38Å; P183-F185 HydrophobicContact CG-CE1 4.26Å; P183-F185 WeakPolarHBondContact O-CD1 3.23Å; P183-F185 WeakPolarHBondContact O-CE1 3.4Å; P183-F185 PolarHBondContact O-N 2.88Å; F185-M213 PolarHBondContact N-O 2.94Å; F185-E219 WeakPolarHBondContact CD1-OE2 3.23Å; F185-E219 WeakPolarHBondContact CE1-OE2 3.39Å; F185-M243 HydrophobicContact CZ-SD 4.49Å; F185-R246 WeakPolarHBondContact O-CD 3.08Å
186F90.4Very high85.2Confident21 Ų2146.5 Ų46.59%0.09225%0.248CC..EExtended strand (participates in β ladder)trans-110.6152-167.2-52.4-57.3000111.8S196 V197 M213 R214 T215F186-S196 VanDerWaalsContact CE1-O 3.29Å; F186-S196 WeakPolarHBondContact CE1-O 3.2Å; F186-V197 HydrophobicContact CB-CG1 4.29Å; F186-V197 HydrophobicContact CB-CG2 4.2Å; F186-V197 HydrophobicContact CD1-CB 4.01Å; F186-V197 HydrophobicContact CD1-CG1 4.01Å; F186-V197 HydrophobicContact CD1-CG2 3.89Å; F186-V197 HydrophobicContact CD2-CG1 3.78Å; F186-V197 VanDerWaalsContact CE1-CA 3.41Å; F186-V197 HydrophobicContact CE1-CB 4.32Å; F186-V197 HydrophobicContact CE1-CG1 4.36Å; F186-V197 WeakPolarHBondContact CE1-O 3.22Å; F186-V197 HydrophobicContact CE2-CG1 4.13Å; F186-V197 WeakPolarHBondContact CE2-O 3.33Å; F186-V197 HydrophobicContact CG-CB 4.2Å; F186-V197 HydrophobicContact CG-CG1 3.72Å; F186-V197 HydrophobicContact CG-CG2 4.07Å; F186-V197 HydrophobicContact CZ-CG1 4.42Å; F186-V197 WeakPolarHBondContact CZ-O 3.18Å; F186-M213 HydrophobicContact CD2-CB 4.47Å; F186-M213 VanDerWaalsContact CD2-O 3.3Å; F186-M213 WeakPolarHBondContact CD2-O 3.39Å; F186-M213 HydrophobicContact CE2-CE 4.33Å; F186-M213 PolarHBondContact N-O 3.36Å; F186-R214 HydrophobicContact CB-CG 4.01Å; F186-R214 CarbonylContact O-C 3.55Å; F186-R214 WeakPolarHBondContact O-CA 3.4Å; F186-T215 PolarHBondContact O-N 3.02Å
187D91.5Very high83.3Confident32 Ų3246.5 Ų46.517%0.17125%0.248CC..EExtended strand (participates in β ladder)trans-72.4149.8171.1-148.1-39.3000110.3D189 E190 R214 T215 G217 G218D187-D189 PolarHBondContact O-N 2.93Å; D187-D189 PolarHBondContact OD1-N 3.13Å; D187-E190 HydrophobicContact CB-CB 4.08Å; D187-E190 HydrophobicContact CB-CG 3.73Å; D187-E190 PolarHBondContact O-N 3.02Å; D187-R214 PolarHBondContact O-NH1 2.95Å; D187-T215 WeakPolarHBondContact CA-O 3.29Å; D187-G217 PolarHBondContact OD1-N 3.33Å; D187-G217 VanDerWaalsContact OD2-C 3.23Å; D187-G217 WeakPolarHBondContact OD2-CA 3.25Å; D187-G217 PolarHBondContact OD2-N 3.5Å; D187-G218 PolarHBondContact OD2-N 2.98Å
188T90.2Very high81.5Confident71 Ų7148.7 Ų48.744%0.43626%0.26SS..SBendtrans-63.5-29.9168460000111.3R214 T215 E216T188-R214 HydrophobicContact CG2-CB 4.26Å; T188-T215 PolarHBondContact N-O 2.78Å; T188-E216 WeakPolarHBondContact OG1-CA 3.34Å
189D88.5Confident79.5Confident136 Ų13652.6 Ų52.673%0.72729%0.285SS*.SBendtrans-87.3-9.3-178.1-59.4-16.8000112.9D187D187-D189 PolarHBondContact O-N 2.93Å; D187-D189 PolarHBondContact OD1-N 3.13Å
190E83.7Confident77.3Confident38 Ų3862.6 Ų62.618%0.17832%0.323CS..SBendtrans-75.7122.6176.8-83-170.6-146.900110.4D187 S196 V197 R214 R246D187-E190 HydrophobicContact CB-CB 4.08Å; D187-E190 HydrophobicContact CB-CG 3.73Å; D187-E190 PolarHBondContact O-N 3.02Å; E190-S196 WeakPolarHBondContact OE2-CB 3.12Å; E190-S196 PolarHBondContact OE2-OG 2.99Å; E190-V197 HydrophobicContact CB-CG2 3.75Å; E190-V197 VanDerWaalsContact OE2-CG2 3.25Å; E190-V197 WeakPolarHBondContact OE2-CG2 3.48Å; E190-R214 PolarHBondContact O-NH1 3.17Å; E190-R246 IonicContact OE1-CZ 3.96Å; E190-R246 VanDerWaalsContact OE1-CZ 3.28Å; E190-R246 IonicContact OE1-NH1 3.55Å; E190-R246 PolarHBondContact OE1-NH1 3.4Å; E190-R246 IonicContact OE1-NH2 3.47Å; E190-R246 PolarHBondContact OE1-NH2 3.34Å; E190-R246 IonicContact OE2-CZ 2.99Å; E190-R246 IonicContact OE2-NH1 3.72Å; E190-R246 IonicContact OE2-NH2 3.91Å
191P76.2Confident75.6Confident94 Ų9467.4 Ų67.461%0.6135%0.349SS*.PPolyproline II helixtrans-63.4141.9-176.820.8-28.4000112S194P191-S194 VanDerWaalsContact O-CB 3.31Å; P191-S194 WeakPolarHBondContact O-CB 3.15Å; P191-S194 PolarHBondContact O-N 2.79Å; P191-S194 PolarHBondContact O-OG 3.01Å
192E68.2Low74.2Confident164 Ų16469.1 Ų69.177%0.76636%0.36SS*.THydrogen-bonded Turntrans-55.9138.6171.6-78.8-175.6-177.500111.3S194 R214E192-S194 PolarHBondContact O-N 2.9Å; E192-R214 IonicContact OE1-NH2 2.86Å
193G62Low73.3Confident41 Ų4173.7 Ų73.742%0.42338%0.38SS..THydrogen-bonded Turntrans73.83-17900000115.4
194S60Low72.8Confident29 Ų2974.8 Ų74.820%0.20339%0.388CS..  trans-60.7144.3165.366.90000109.6P191 E192 S196 V197 I198P191-S194 VanDerWaalsContact O-CB 3.31Å; P191-S194 WeakPolarHBondContact O-CB 3.15Å; P191-S194 PolarHBondContact O-N 2.79Å; P191-S194 PolarHBondContact O-OG 3.01Å; E192-S194 PolarHBondContact O-N 2.9Å; S194-S196 PolarHBondContact O-N 2.91Å; S194-S196 PolarHBondContact OG-OG 3.09Å; S194-S196 VanDerWaalsContact OG-OG 3.05Å; S194-V197 PolarHBondContact O-N 3.29Å; S194-V197 WeakPolarHBondContact OG-CG2 3.46Å; S194-I198 PolarHBondContact O-N 3.35Å
195R56.5Low72.4Confident219 Ų21974.9 Ų74.983%0.82639%0.39SS*.THydrogen-bonded Turntrans-57.1-18.4-178.5-72.6-177.2177.5175.1-0.3112.8
196S57.1Low72.2Confident52 Ų5277 Ų7736%0.36441%0.405SS..THydrogen-bonded Turntrans-81.8-24.7176.551.60000114.4F186 E190 S194F186-S196 VanDerWaalsContact CE1-O 3.29Å; F186-S196 WeakPolarHBondContact CE1-O 3.2Å; E190-S196 WeakPolarHBondContact OE2-CB 3.12Å; E190-S196 PolarHBondContact OE2-OG 2.99Å; S194-S196 PolarHBondContact O-N 2.91Å; S194-S196 PolarHBondContact OG-OG 3.09Å; S194-S196 VanDerWaalsContact OG-OG 3.05Å
197V57.8Low72.1Confident9 Ų978.5 Ų78.56%0.05542%0.416CS..THydrogen-bonded Turntrans-93.9-62.1-173.61770000111.1F186 E190 S194F186-V197 HydrophobicContact CB-CG1 4.29Å; F186-V197 HydrophobicContact CB-CG2 4.2Å; F186-V197 HydrophobicContact CD1-CB 4.01Å; F186-V197 HydrophobicContact CD1-CG1 4.01Å; F186-V197 HydrophobicContact CD1-CG2 3.89Å; F186-V197 HydrophobicContact CD2-CG1 3.78Å; F186-V197 VanDerWaalsContact CE1-CA 3.41Å; F186-V197 HydrophobicContact CE1-CB 4.32Å; F186-V197 HydrophobicContact CE1-CG1 4.36Å; F186-V197 WeakPolarHBondContact CE1-O 3.22Å; F186-V197 HydrophobicContact CE2-CG1 4.13Å; F186-V197 WeakPolarHBondContact CE2-O 3.33Å; F186-V197 HydrophobicContact CG-CB 4.2Å; F186-V197 HydrophobicContact CG-CG1 3.72Å; F186-V197 HydrophobicContact CG-CG2 4.07Å; F186-V197 HydrophobicContact CZ-CG1 4.42Å; F186-V197 WeakPolarHBondContact CZ-O 3.18Å; E190-V197 HydrophobicContact CB-CG2 3.75Å; E190-V197 VanDerWaalsContact OE2-CG2 3.25Å; E190-V197 WeakPolarHBondContact OE2-CG2 3.48Å; S194-V197 PolarHBondContact O-N 3.29Å; S194-V197 WeakPolarHBondContact OG-CG2 3.46Å
198I59.3Low72Confident50 Ų5077.9 Ų77.926%0.25642%0.416SS..SBendtrans-140.1128176.2-59.8172.1000106.1S194 R200 P202 M213S194-I198 PolarHBondContact O-N 3.35Å; I198-R200 PolarHBondContact O-N 3.21Å; I198-P202 HydrophobicContact CG2-CB 4.06Å; I198-P202 HydrophobicContact CG2-CG 3.98Å; I198-M213 HydrophobicContact CD1-CE 4Å
199P55.5Low72Confident83 Ų8375.5 Ų75.554%0.53940%0.4SS..  trans-51.1138.3173.8-23.432.3000109.5D201 P202P199-D201 PolarHBondContact O-N 3.15Å; P199-P202 WeakPolarHBondContact O-CD 3.41Å
200R53.6Low72.1Confident209 Ų20973.2 Ų73.279%0.78939%0.393SS*.SBendtrans-53-26.1-178.6-72.7-173.9-179.1178.3-1.9113.7I198I198-R200 PolarHBondContact O-N 3.21Å
201D61.6Low72.5Confident101 Ų10175.3 Ų75.354%0.5440%0.403SS..SBendtrans-131.583.1171.9-173.218.7000109.3K47 P199K47-D201 VanDerWaalsContact CE-OD1 3.24Å; K47-D201 WeakPolarHBondContact CE-OD1 3.25Å; K47-D201 IonicContact NZ-OD1 3.77Å; K47-D201 PolarHBondContact NZ-OD1 2.92Å; K47-D201 IonicContact NZ-OD2 3.75Å; P199-D201 PolarHBondContact O-N 3.15Å
202P69.4Low73.2Confident37 Ų3772.2 Ų72.224%0.2438%0.38CS..  trans-71.5139.9-178.631.7-30.9000109I198 P199 S204I198-P202 HydrophobicContact CG2-CB 4.06Å; I198-P202 HydrophobicContact CG2-CG 3.98Å; P199-P202 WeakPolarHBondContact O-CD 3.41Å; P202-S204 WeakPolarHBondContact CB-O 3.47Å; P202-S204 PolarHBondContact O-N 3.05Å
203H78.4Confident74.3Confident122 Ų12265.7 Ų65.757%0.56535%0.35SS*.SBendtrans-64.4-11.5176.8-65.8-50.1000113.6F46 K271F46-H203 WeakPolarHBondContact CB-O 3.46Å; H203-K271 WeakPolarHBondContact CD2-CD 3.46Å; H203-K271 PolarHBondContact CE1-NZ 2.96Å; H203-K271 VanDerWaalsContact NE2-CD 3.35Å; H203-K271 WeakPolarHBondContact NE2-CD 3.48Å; H203-K271 PolarHBondContact NE2-NZ 3.23Å
204S83.7Confident75.7Confident25 Ų2565.5 Ų65.518%0.17534%0.336CS..SBendtrans-151.1148172.1-168.60000111.1F46 V52 R78 P202F46-S204 CarbonylContact O-C 3.53Å; F46-S204 WeakPolarHBondContact O-CA 3.44Å; F46-S204 WeakPolarHBondContact O-CB 3.41Å; F46-S204 PolarHBondContact O-OG 2.96Å; V52-S204 WeakPolarHBondContact CG2-OG 3.27Å; R78-S204 PolarHBondContact NH1-OG 3.13Å; R78-S204 PolarHBondContact NH2-OG 3.21Å; P202-S204 WeakPolarHBondContact CB-O 3.47Å; P202-S204 PolarHBondContact O-N 3.05Å
205A86.5Confident77.3Confident14 Ų1465.1 Ų65.112%0.11633%0.333CS..  trans-55138.4172.900000111.7F46 K47 P49 R78F46-A205 PolarHBondContact O-N 2.75Å; K47-A205 WeakPolarHBondContact O-CB 3.38Å; P49-A205 HydrophobicContact CB-CB 4.26Å; P49-A205 HydrophobicContact CG-CB 3.82Å; R78-A205 PolarHBondContact NH2-O 3.05Å
206T86.1Confident79.1Confident71 Ų7159.8 Ų59.844%0.43632%0.317SS..  trans-128.8108169.5-56.40000106.8L75 M213L75-T206 HydrophobicContact CD1-CG2 3.95Å; T206-M213 HydrophobicContact CG2-CE 3.75Å
207V87.9Confident80.8Confident52 Ų5258.6 Ų58.632%0.31531%0.313SS..  trans-110.2144.8170.2178.60000106.5P49 S72 L75P49-V207 HydrophobicContact CB-CG2 3.61Å; P49-V207 HydrophobicContact CG-CG2 3.62Å; S72-V207 WeakPolarHBondContact O-CG1 3.25Å; L75-V207 VanDerWaalsContact CA-O 3.3Å; L75-V207 WeakPolarHBondContact CA-O 3.38Å
208G89.2Confident82.5Confident18 Ų1858.3 Ų58.319%0.18631%0.312CS..  trans-176.8155.1176.100000110D73D73-G208 CarbonylContact O-C 3.08Å; D73-G208 VanDerWaalsContact O-CA 3.23Å; D73-G208 WeakPolarHBondContact O-CA 3.1Å
209K90.9Very high84.2Confident21 Ų2156 Ų569%0.09130%0.3CS..  trans-63.8147.4175.6-66.2173.4-176.9160.60109D73 S74 L133 S135 N136 E211 E212 M213D73-K209 VanDerWaalsContact CG-CE 3.46Å; D73-K209 PolarHBondContact O-N 2.94Å; D73-K209 VanDerWaalsContact OD1-CE 3.26Å; D73-K209 WeakPolarHBondContact OD1-CE 3.4Å; D73-K209 IonicContact OD1-NZ 3.97Å; D73-K209 WeakPolarHBondContact OD2-CE 3.2Å; S74-K209 WeakPolarHBondContact OG-CE 3.15Å; S74-K209 PolarHBondContact OG-NZ 2.9Å; L133-K209 HydrophobicContact CD1-CB 4.47Å; L133-K209 HydrophobicContact CD1-CD 3.85Å; S135-K209 PolarHBondContact OG-NZ 2.74Å; N136-K209 PolarHBondContact OD1-NZ 2.96Å; K209-E211 PolarHBondContact O-N 2.92Å; K209-E211 VanDerWaalsContact O-N 3.1Å; K209-E212 HydrophobicContact CB-CG 4.17Å; K209-E212 PolarHBondContact N-OE2 2.96Å; K209-E212 VanDerWaalsContact N-OE2 3.17Å; K209-E212 PolarHBondContact O-N 3.05Å; K209-M213 PolarHBondContact O-N 3.27Å
210P91.2Very high86.1Confident88 Ų8854.1 Ų54.157%0.57129%0.287SS*.Hα-helixtrans-49.4-40.5178.8-29.736.5000113E212 M213 R214P210-E212 PolarHBondContact O-N 3.41Å; P210-M213 PolarHBondContact O-N 3.38Å; P210-R214 WeakPolarHBondContact O-CA 3.09Å; P210-R214 VanDerWaalsContact O-CB 3.29Å; P210-R214 WeakPolarHBondContact O-CB 3.48Å; P210-R214 PolarHBondContact O-N 3.23Å
211E91.2Very high88.2Confident83 Ų8348.4 Ų48.439%0.38827%0.266SS..Hα-helixtrans-70.8-24.2179.9-61.185.6168.100114.6L133 K160 K209 M213L133-E211 HydrophobicContact CD1-CB 4.12Å; L133-E211 HydrophobicContact CD2-CB 4.31Å; L133-E211 HydrophobicContact CD2-CG 4.15Å; L133-E211 HydrophobicContact CG-CB 4.46Å; K160-E211 IonicContact NZ-OE1 3.97Å; K209-E211 PolarHBondContact O-N 2.92Å; K209-E211 VanDerWaalsContact O-N 3.1Å; E211-M213 VanDerWaalsContact C-N 3.3Å
212E90.9Very high89.8Confident29 Ų2945.4 Ų45.414%0.13625%0.248CC..Hα-helixtrans-78.8-19.9174.5-64.1-178.5128.400111.6S74 L75 L133 N136 K209 P210S74-E212 WeakPolarHBondContact CA-OE2 2.77Å; L75-E212 HydrophobicContact CB-CB 4.31Å; L75-E212 PolarHBondContact N-OE2 2.9Å; L133-E212 HydrophobicContact CD1-CG 4.5Å; N136-E212 PolarHBondContact ND2-OE1 3.08Å; K209-E212 HydrophobicContact CB-CG 4.17Å; K209-E212 PolarHBondContact N-OE2 2.96Å; K209-E212 VanDerWaalsContact N-OE2 3.17Å; K209-E212 PolarHBondContact O-N 3.05Å; P210-E212 PolarHBondContact O-N 3.41Å
213M91Very high91.1Very high26 Ų2643.6 Ų43.613%0.12824%0.236CC..Hα-helixtrans-110.6-30.2-173.6-61.9-172.965.900113.1P184 F185 F186 I198 T206 K209 P210 E211P184-M213 VanDerWaalsContact CB-C 3.47Å; F185-M213 PolarHBondContact N-O 2.94Å; F186-M213 HydrophobicContact CD2-CB 4.47Å; F186-M213 VanDerWaalsContact CD2-O 3.3Å; F186-M213 WeakPolarHBondContact CD2-O 3.39Å; F186-M213 HydrophobicContact CE2-CE 4.33Å; F186-M213 PolarHBondContact N-O 3.36Å; I198-M213 HydrophobicContact CD1-CE 4Å; T206-M213 HydrophobicContact CG2-CE 3.75Å; K209-M213 PolarHBondContact O-N 3.27Å; P210-M213 PolarHBondContact O-N 3.38Å; E211-M213 VanDerWaalsContact C-N 3.3Å
214R92.4Very high91.9Very high37 Ų3739.2 Ų39.214%0.1422%0.218CC..EExtended strand (participates in β ladder)trans-130.1149.2-169.1-61.1171.8173-86.45.8112.5F186 D187 T188 E190 E192 P210F186-R214 HydrophobicContact CB-CG 4.01Å; F186-R214 CarbonylContact O-C 3.55Å; F186-R214 WeakPolarHBondContact O-CA 3.4Å; D187-R214 PolarHBondContact O-NH1 2.95Å; T188-R214 HydrophobicContact CG2-CB 4.26Å; E190-R214 PolarHBondContact O-NH1 3.17Å; E192-R214 IonicContact OE1-NH2 2.86Å; P210-R214 WeakPolarHBondContact O-CA 3.09Å; P210-R214 VanDerWaalsContact O-CB 3.29Å; P210-R214 WeakPolarHBondContact O-CB 3.48Å; P210-R214 PolarHBondContact O-N 3.23Å
215T93.3Very high92.4Very high21 Ų2143.1 Ų43.113%0.12923%0.229CC..EExtended strand (participates in β ladder)trans-154.6151.1174.5-164.10000109.9P184 F186 D187 T188 G217 G218 F222P184-T215 HydrophobicContact CB-CG2 4.33Å; P184-T215 HydrophobicContact CG-CG2 3.78Å; F186-T215 PolarHBondContact O-N 3.02Å; D187-T215 WeakPolarHBondContact CA-O 3.29Å; T188-T215 PolarHBondContact N-O 2.78Å; T215-G217 PolarHBondContact O-N 3.26Å; T215-G218 VanDerWaalsContact CG2-C 3.48Å; T215-G218 VanDerWaalsContact CG2-O 3.28Å; T215-G218 WeakPolarHBondContact CG2-O 3.2Å; T215-G218 WeakPolarHBondContact O-CA 3.3Å; T215-G218 PolarHBondContact O-N 2.96Å; T215-F222 HydrophobicContact CG2-CB 3.85Å; T215-F222 HydrophobicContact CG2-CD2 4.05Å; T215-F222 HydrophobicContact CG2-CG 4.37Å
216E93.3Very high92.8Very high107 Ų10742.8 Ų42.850%0.523%0.225SC..THydrogen-bonded Turntrans-61.4122.2179.6-175.8-154.5160.100110.8T188 G218 R221T188-E216 WeakPolarHBondContact OG1-CA 3.34Å; E216-G218 VanDerWaalsContact C-N 3.27Å; E216-R221 VanDerWaalsContact CD-CZ 3.5Å; E216-R221 WeakPolarHBondContact O-CD 3.41Å; E216-R221 PolarHBondContact O-NH1 2.83Å; E216-R221 IonicContact OE1-CZ 3.7Å; E216-R221 IonicContact OE1-NH1 3.57Å; E216-R221 PolarHBondContact OE1-NH1 3.21Å; E216-R221 IonicContact OE1-NH2 3.33Å; E216-R221 PolarHBondContact OE1-NH2 2.96Å; E216-R221 IonicContact OE2-CZ 2.65Å; E216-R221 IonicContact OE2-NH1 3.66Å; E216-R221 PolarHBondContact OE2-NH1 3.03Å; E216-R221 IonicContact OE2-NH2 2.79Å; E216-R221 PolarHBondContact OE2-NH2 3.11Å
217G93.5Very high93.2Very high28 Ų2839.8 Ų39.829%0.28921%0.207SC..THydrogen-bonded Turntrans797.8-173.800000114.4D187 T215 R221D187-G217 PolarHBondContact OD1-N 3.33Å; D187-G217 VanDerWaalsContact OD2-C 3.23Å; D187-G217 WeakPolarHBondContact OD2-CA 3.25Å; D187-G217 PolarHBondContact OD2-N 3.5Å; T215-G217 PolarHBondContact O-N 3.26Å; G217-R221 WeakPolarHBondContact O-CB 3.28Å; G217-R221 PolarHBondContact O-N 3.46Å
218G93.7Very high93.5Very high3 Ų340.6 Ų40.63%0.03121%0.209CC..Hα-helixtrans62.4-166176.600000115.2D187 T215 E216 V220 R221 F222D187-G218 PolarHBondContact OD2-N 2.98Å; T215-G218 VanDerWaalsContact CG2-C 3.48Å; T215-G218 VanDerWaalsContact CG2-O 3.28Å; T215-G218 WeakPolarHBondContact CG2-O 3.2Å; T215-G218 WeakPolarHBondContact O-CA 3.3Å; T215-G218 PolarHBondContact O-N 2.96Å; E216-G218 VanDerWaalsContact C-N 3.27Å; G218-V220 PolarHBondContact O-N 3.43Å; G218-R221 PolarHBondContact O-N 2.8Å; G218-F222 PolarHBondContact O-N 3.06Å; G218-F222 VanDerWaalsContact O-N 3.08Å
219E95Very high93.8Very high1 Ų141.5 Ų41.51%0.00521%0.208CC..Hα-helixtrans-51.8-40.2-178.4-178.6171.992.300113.3P183 F185 F222 V223 L244 G245 R246 S249P183-E219 HydrophobicContact CG-CG 4.13Å; F185-E219 WeakPolarHBondContact CD1-OE2 3.23Å; F185-E219 WeakPolarHBondContact CE1-OE2 3.39Å; E219-F222 PolarHBondContact O-N 3.46Å; E219-V223 HydrophobicContact CG-CG2 4.25Å; E219-V223 WeakPolarHBondContact O-CB 3.36Å; E219-V223 VanDerWaalsContact O-CG2 3.28Å; E219-V223 WeakPolarHBondContact O-CG2 3.39Å; E219-V223 PolarHBondContact O-N 2.91Å; E219-L244 HydrophobicContact CG-CD2 3.95Å; E219-G245 VanDerWaalsContact CD-N 3.32Å; E219-G245 PolarHBondContact OE1-N 3.43Å; E219-G245 VanDerWaalsContact OE2-CA 3.28Å; E219-G245 WeakPolarHBondContact OE2-CA 3.48Å; E219-G245 PolarHBondContact OE2-N 2.91Å; E219-R246 PolarHBondContact OE1-N 3.23Å; E219-S249 WeakPolarHBondContact OE1-CB 3.46Å; E219-S249 PolarHBondContact OE1-OG 2.73Å
220V96Very high93.9Very high44 Ų4440.5 Ų40.527%0.26720%0.204SC..Hα-helixtrans-63.5-51.9-177.5176.50000110.1G218 F222 V223 T224 P252G218-V220 PolarHBondContact O-N 3.43Å; V220-F222 VanDerWaalsContact C-N 3.3Å; V220-F222 PolarHBondContact O-N 2.75Å; V220-V223 PolarHBondContact O-N 2.77Å; V220-T224 HydrophobicContact CG1-CG2 4.39Å; V220-T224 WeakPolarHBondContact O-CG2 3.49Å; V220-T224 PolarHBondContact O-N 3.44Å; V220-T224 PolarHBondContact O-OG1 3.41Å; V220-T224 VanDerWaalsContact O-OG1 3.05Å; V220-P252 HydrophobicContact CB-CG 4.5Å; V220-P252 HydrophobicContact CG1-CB 3.82Å; V220-P252 HydrophobicContact CG1-CG 3.84Å; V220-P252 HydrophobicContact CG2-CG 3.75Å
221R96.3Very high94.1Very high88 Ų8840.6 Ų40.633%0.33220%0.203SC..Hα-helixtrans-62.5-39.7179.5-176163175.7-104.919.7111.4E216 G217 G218 T224 R225E216-R221 VanDerWaalsContact CD-CZ 3.5Å; E216-R221 WeakPolarHBondContact O-CD 3.41Å; E216-R221 PolarHBondContact O-NH1 2.83Å; E216-R221 IonicContact OE1-CZ 3.7Å; E216-R221 IonicContact OE1-NH1 3.57Å; E216-R221 PolarHBondContact OE1-NH1 3.21Å; E216-R221 IonicContact OE1-NH2 3.33Å; E216-R221 PolarHBondContact OE1-NH2 2.96Å; E216-R221 IonicContact OE2-CZ 2.65Å; E216-R221 IonicContact OE2-NH1 3.66Å; E216-R221 PolarHBondContact OE2-NH1 3.03Å; E216-R221 IonicContact OE2-NH2 2.79Å; E216-R221 PolarHBondContact OE2-NH2 3.11Å; G217-R221 WeakPolarHBondContact O-CB 3.28Å; G217-R221 PolarHBondContact O-N 3.46Å; G218-R221 PolarHBondContact O-N 2.8Å; R221-T224 WeakPolarHBondContact CA-OG1 3.41Å; R221-T224 PolarHBondContact O-OG1 3.41Å; R221-R225 WeakPolarHBondContact O-CG 3.39Å; R221-R225 PolarHBondContact O-N 2.94Å
222F96Very high94.2Very high38 Ų3842.2 Ų42.217%0.16721%0.209CC..Hα-helixtrans-60.4-51.9176.6-167.7-80.2000112.2P183 P184 T215 G218 E219 V220 T224 R225 L226P183-F222 HydrophobicContact CB-CD1 3.5Å; P183-F222 VanDerWaalsContact CB-CD1 3.5Å; P183-F222 HydrophobicContact CB-CE1 3.82Å; P183-F222 HydrophobicContact CB-CG 4.15Å; P184-F222 HydrophobicContact CG-CD2 3.83Å; P184-F222 HydrophobicContact CG-CE2 3.99Å; P184-F222 HydrophobicContact CG-CG 4.39Å; T215-F222 HydrophobicContact CG2-CB 3.85Å; T215-F222 HydrophobicContact CG2-CD2 4.05Å; T215-F222 HydrophobicContact CG2-CG 4.37Å; G218-F222 PolarHBondContact O-N 3.06Å; G218-F222 VanDerWaalsContact O-N 3.08Å; E219-F222 PolarHBondContact O-N 3.46Å; V220-F222 VanDerWaalsContact C-N 3.3Å; V220-F222 PolarHBondContact O-N 2.75Å; F222-T224 PolarHBondContact O-N 3.44Å; F222-R225 WeakPolarHBondContact O-CB 3.4Å; F222-R225 PolarHBondContact O-N 3.28Å; F222-L226 HydrophobicContact CD1-CD1 4.16Å; F222-L226 HydrophobicContact CD1-CG 4.28Å; F222-L226 HydrophobicContact CE1-CD1 3.81Å; F222-L226 HydrophobicContact CE1-CD2 4.46Å; F222-L226 HydrophobicContact CE1-CG 4.08Å; F222-L226 PolarHBondContact O-N 3.39Å; F222-L226 VanDerWaalsContact O-N 3.12Å
223V96.4Very high94.4Very high0 Ų041.1 Ų41.10%020%0.204CC..Hα-helixtrans-67.6-36.4-178.8175.90000111.3P183 E219 V220 R225 L226 I227 L244 V253P183-V223 HydrophobicContact CB-CG2 4.34Å; P183-V223 HydrophobicContact CG-CG2 3.97Å; E219-V223 HydrophobicContact CG-CG2 4.25Å; E219-V223 WeakPolarHBondContact O-CB 3.36Å; E219-V223 VanDerWaalsContact O-CG2 3.28Å; E219-V223 WeakPolarHBondContact O-CG2 3.39Å; E219-V223 PolarHBondContact O-N 2.91Å; V220-V223 PolarHBondContact O-N 2.77Å; V223-R225 VanDerWaalsContact C-N 3.32Å; V223-R225 PolarHBondContact O-N 3.47Å; V223-L226 WeakPolarHBondContact O-CB 3.34Å; V223-L226 PolarHBondContact O-N 2.94Å; V223-I227 HydrophobicContact CG1-CD1 4.21Å; V223-I227 WeakPolarHBondContact O-CG1 3.36Å; V223-I227 PolarHBondContact O-N 3.5Å; V223-L244 HydrophobicContact CB-CD2 4.49Å; V223-L244 HydrophobicContact CG1-CD2 4.42Å; V223-L244 HydrophobicContact CG2-CD2 3.85Å; V223-V253 HydrophobicContact CB-CG2 4.18Å; V223-V253 HydrophobicContact CG1-CG1 3.79Å; V223-V253 HydrophobicContact CG1-CG2 3.96Å
224T95.2Very high94.6Very high30 Ų3043.4 Ų43.418%0.18422%0.216CC..Hα-helixtrans-64.5-35.2174.553.80000112.7V220 R221 F222 I227 D228 K256V220-T224 HydrophobicContact CG1-CG2 4.39Å; V220-T224 WeakPolarHBondContact O-CG2 3.49Å; V220-T224 PolarHBondContact O-N 3.44Å; V220-T224 PolarHBondContact O-OG1 3.41Å; V220-T224 VanDerWaalsContact O-OG1 3.05Å; R221-T224 WeakPolarHBondContact CA-OG1 3.41Å; R221-T224 PolarHBondContact O-OG1 3.41Å; F222-T224 PolarHBondContact O-N 3.44Å; T224-I227 WeakPolarHBondContact O-CB 3.32Å; T224-I227 PolarHBondContact O-N 3.15Å; T224-D228 PolarHBondContact O-N 3.43Å; T224-K256 HydrophobicContact CG2-CB 4.26Å; T224-K256 HydrophobicContact CG2-CG 4.15Å
225R94.5Very high94.6Very high106 Ų10645.3 Ų45.340%0.423%0.228SC..Hα-helixtrans-64-42.1171.8-73.2-174.3-58.8-176.3-0111.7R221 F222 V223 I227 D228 E229R221-R225 WeakPolarHBondContact O-CG 3.39Å; R221-R225 PolarHBondContact O-N 2.94Å; F222-R225 WeakPolarHBondContact O-CB 3.4Å; F222-R225 PolarHBondContact O-N 3.28Å; V223-R225 VanDerWaalsContact C-N 3.32Å; V223-R225 PolarHBondContact O-N 3.47Å; R225-I227 VanDerWaalsContact C-N 3.26Å; R225-I227 PolarHBondContact O-N 3.41Å; R225-D228 PolarHBondContact O-N 3.08Å; R225-D228 VanDerWaalsContact O-N 3.13Å; R225-E229 WeakPolarHBondContact O-CG 3.49Å; R225-E229 PolarHBondContact O-N 3.15Å
226L95Very high94.8Very high8 Ų845.9 Ų45.94%0.04223%0.228CC..Hα-helixtrans-61.7-36.2173.6-66.9-173.2000112.1I107 L164 W179 C181 F222 V223 E229 S230I107-L226 HydrophobicContact CD1-CD2 4.06Å; I107-L226 HydrophobicContact CG2-CD2 4.46Å; L164-L226 HydrophobicContact CD1-CD2 3.94Å; W179-L226 VanDerWaalsContact CH2-O 3.28Å; W179-L226 WeakPolarHBondContact CH2-O 3.4Å; W179-L226 HydrophobicContact CZ2-CB 4.09Å; W179-L226 WeakPolarHBondContact CZ2-O 3.3Å; C181-L226 HydrophobicContact CB-CD1 3.96Å; F222-L226 HydrophobicContact CD1-CD1 4.16Å; F222-L226 HydrophobicContact CD1-CG 4.28Å; F222-L226 HydrophobicContact CE1-CD1 3.81Å; F222-L226 HydrophobicContact CE1-CD2 4.46Å; F222-L226 HydrophobicContact CE1-CG 4.08Å; F222-L226 PolarHBondContact O-N 3.39Å; F222-L226 VanDerWaalsContact O-N 3.12Å; V223-L226 WeakPolarHBondContact O-CB 3.34Å; V223-L226 PolarHBondContact O-N 2.94Å; L226-E229 PolarHBondContact O-N 3.44Å; L226-S230 WeakPolarHBondContact O-CB 3.3Å; L226-S230 PolarHBondContact O-N 3.19Å
227I95.2Very high94.9Very high8 Ų840.8 Ų40.84%0.04121%0.205CC..Hα-helixtrans-63.7-43.6173.5-65.1164.2000110.3V223 T224 R225 E229 S230 V231 V253 K256 L257 W279V223-I227 HydrophobicContact CG1-CD1 4.21Å; V223-I227 WeakPolarHBondContact O-CG1 3.36Å; V223-I227 PolarHBondContact O-N 3.5Å; T224-I227 WeakPolarHBondContact O-CB 3.32Å; T224-I227 PolarHBondContact O-N 3.15Å; R225-I227 VanDerWaalsContact C-N 3.26Å; R225-I227 PolarHBondContact O-N 3.41Å; I227-E229 PolarHBondContact O-N 3.14Å; I227-S230 WeakPolarHBondContact O-CB 3.21Å; I227-S230 PolarHBondContact O-N 3.02Å; I227-S230 PolarHBondContact O-OG 2.85Å; I227-V231 PolarHBondContact O-N 2.87Å; I227-V253 HydrophobicContact CD1-CG1 4.21Å; I227-K256 HydrophobicContact CB-CG 4.32Å; I227-K256 HydrophobicContact CD1-CB 4.21Å; I227-K256 HydrophobicContact CD1-CG 3.88Å; I227-K256 HydrophobicContact CG2-CG 3.93Å; I227-L257 HydrophobicContact CD1-CD1 4.28Å; I227-L257 HydrophobicContact CD1-CD2 3.69Å; I227-L257 HydrophobicContact CD1-CG 3.7Å; I227-L257 HydrophobicContact CG1-CD2 3.79Å; I227-L257 HydrophobicContact CG1-CG 4.35Å; I227-L257 HydrophobicContact CG2-CD2 3.93Å; I227-W279 HydrophobicContact CB-CZ2 4.4Å; I227-W279 HydrophobicContact CG1-CH2 3.97Å; I227-W279 HydrophobicContact CG1-CZ2 3.69Å
228D94.1Very high95.1Very high69 Ų6941.4 Ų41.437%0.36920%0.198SC..Hα-helixtrans-64.4-39.7177.1-65.6-33.3000112.4T224 R225 S230 V231 K256T224-D228 PolarHBondContact O-N 3.43Å; R225-D228 PolarHBondContact O-N 3.08Å; R225-D228 VanDerWaalsContact O-N 3.13Å; D228-S230 VanDerWaalsContact C-N 3.32Å; D228-S230 PolarHBondContact O-N 3.14Å; D228-V231 PolarHBondContact O-N 3.24Å; D228-K256 WeakPolarHBondContact OD1-CE 3.48Å; D228-K256 IonicContact OD1-NZ 2.9Å; D228-K256 PolarHBondContact OD1-NZ 3.19Å; D228-K256 IonicContact OD2-NZ 3.21Å
229E93.8Very high95.2Very high36 Ų3641.2 Ų41.217%0.16820%0.197CC..Hα-helixtrans-64.2-36.6172.1-70.9-58.5132.700112.1W179 R225 L226 I227 V231 K232 L233W179-E229 HydrophobicContact CH2-CB 4.29Å; R225-E229 WeakPolarHBondContact O-CG 3.49Å; R225-E229 PolarHBondContact O-N 3.15Å; L226-E229 PolarHBondContact O-N 3.44Å; I227-E229 PolarHBondContact O-N 3.14Å; E229-V231 VanDerWaalsContact C-N 3.25Å; E229-V231 PolarHBondContact O-N 3Å; E229-K232 WeakPolarHBondContact O-CB 3.35Å; E229-K232 PolarHBondContact O-N 3.24Å; E229-K232 VanDerWaalsContact O-N 3.11Å; E229-K232 IonicContact OE1-NZ 2.81Å; E229-K232 PolarHBondContact OE1-NZ 3.22Å; E229-K232 IonicContact OE2-NZ 2.64Å; E229-L233 PolarHBondContact O-N 2.8Å
230S94.8Very high95.4Very high0 Ų041.2 Ų41.20%020%0.197CC..Hα-helixtrans-62.2-33.7177.278.90000112.2L226 I227 D228 K232 L233 N234 Y240 W279 F281L226-S230 WeakPolarHBondContact O-CB 3.3Å; L226-S230 PolarHBondContact O-N 3.19Å; I227-S230 WeakPolarHBondContact O-CB 3.21Å; I227-S230 PolarHBondContact O-N 3.02Å; I227-S230 PolarHBondContact O-OG 2.85Å; D228-S230 VanDerWaalsContact C-N 3.32Å; D228-S230 PolarHBondContact O-N 3.14Å; S230-K232 VanDerWaalsContact C-N 3.31Å; S230-K232 PolarHBondContact O-N 3.32Å; S230-L233 PolarHBondContact O-N 3.34Å; S230-N234 PolarHBondContact O-N 3.23Å; S230-Y240 VanDerWaalsContact CB-CD1 3.47Å; S230-Y240 PolarHBondContact O-OH 2.85Å; S230-W279 PolarHBondContact OG-NE1 3.25Å; S230-F281 WeakPolarHBondContact O-CE2 3.29Å; S230-F281 WeakPolarHBondContact OG-CE2 3.35Å
231V94.1Very high95.5Very high90 Ų9039.1 Ų39.155%0.54518%0.184SC..Hα-helixtrans-63.7-38.3175.9175.70000111.1I227 D228 E229 F281I227-V231 PolarHBondContact O-N 2.87Å; D228-V231 PolarHBondContact O-N 3.24Å; E229-V231 VanDerWaalsContact C-N 3.25Å; E229-V231 PolarHBondContact O-N 3Å; V231-F281 HydrophobicContact CB-CZ 4.48Å; V231-F281 HydrophobicContact CG2-CE1 4.35Å; V231-F281 HydrophobicContact CG2-CZ 3.88Å
232K94.3Very high95.5Very high117 Ų11734.9 Ų34.951%0.50917%0.168SC..Hα-helixtrans-70-45.3176.8-58.2175.1-173164.30111.4Y165 E229 S230Y165-K232 HydrophobicContact CD2-CB 3.62Å; Y165-K232 HydrophobicContact CE2-CB 4.13Å; Y165-K232 WeakPolarHBondContact CE2-O 3.36Å; Y165-K232 HydrophobicContact CG-CB 4.36Å; E229-K232 WeakPolarHBondContact O-CB 3.35Å; E229-K232 PolarHBondContact O-N 3.24Å; E229-K232 VanDerWaalsContact O-N 3.11Å; E229-K232 IonicContact OE1-NZ 2.81Å; E229-K232 PolarHBondContact OE1-NZ 3.22Å; E229-K232 IonicContact OE2-NZ 2.64Å; S230-K232 VanDerWaalsContact C-N 3.31Å; S230-K232 PolarHBondContact O-N 3.32Å
233L94.6Very high95.6Very high7 Ų733.3 Ų33.34%0.03716%0.161CC..Hα-helixtrans-70.7-32-178.3-75163.1000112.9Y165 I168 W179 E229 S230 M235 K236 I237 Y240Y165-L233 HydrophobicContact CD2-CD2 3.95Å; Y165-L233 HydrophobicContact CD2-CG 4.09Å; I168-L233 HydrophobicContact CB-CD2 3.93Å; I168-L233 HydrophobicContact CD1-CD1 3.72Å; I168-L233 HydrophobicContact CD1-CD2 4.32Å; I168-L233 HydrophobicContact CG2-CD2 3.8Å; W179-L233 HydrophobicContact CE3-CD1 4.28Å; W179-L233 HydrophobicContact CH2-CD1 4.22Å; W179-L233 HydrophobicContact CZ3-CD1 3.46Å; W179-L233 VanDerWaalsContact CZ3-CD1 3.46Å; E229-L233 PolarHBondContact O-N 2.8Å; S230-L233 PolarHBondContact O-N 3.34Å; L233-M235 PolarHBondContact O-N 2.84Å; L233-M235 VanDerWaalsContact O-N 3.08Å; L233-K236 HydrophobicContact CB-CB 4.42Å; L233-K236 HydrophobicContact CD2-CB 4.25Å; L233-K236 HydrophobicContact CD2-CG 4.16Å; L233-K236 WeakPolarHBondContact O-CB 3.32Å; L233-K236 PolarHBondContact O-N 2.96Å; L233-I237 HydrophobicContact CD1-CD1 4.06Å; L233-Y240 VanDerWaalsContact C-OH 3.29Å; L233-Y240 HydrophobicContact CB-CE1 4.34Å; L233-Y240 VanDerWaalsContact CB-OH 3.24Å; L233-Y240 WeakPolarHBondContact CB-OH 3.47Å
234N94.1Very high95.6Very high73 Ų7333.3 Ų33.339%0.3916%0.161SC..G310 helixtrans46.3-107.5175.2-172.122.8000114.5S230 K236 I237 Y240 F281S230-N234 PolarHBondContact O-N 3.23Å; N234-K236 VanDerWaalsContact C-N 3.31Å; N234-K236 PolarHBondContact O-N 3.27Å; N234-I237 VanDerWaalsContact O-O 3.08Å; N234-Y240 PolarHBondContact N-OH 2.97Å; N234-Y240 WeakPolarHBondContact O-CE2 3.32Å; N234-Y240 PolarHBondContact O-OH 3.01Å; N234-F281 WeakPolarHBondContact OD1-CB 3.48Å
235M94.1Very high95.5Very high78 Ų7832.2 Ų32.238%0.38416%0.156SC..G310 helixtrans-85-3.1-177.5-68.7-61-63.400113.6L233 I237 D282L233-M235 PolarHBondContact O-N 2.84Å; L233-M235 VanDerWaalsContact O-N 3.08Å; M235-I237 PolarHBondContact O-N 2.85Å; M235-D282 HydrophobicContact CE-CB 3.72Å; M235-D282 HydrophobicContact SD-CB 3.78Å
236K96.1Very high95.3Very high32 Ų3229.2 Ų29.214%0.13915%0.145CC..G310 helixtrans-62.8-22.9172.3-171.363.9173.6-173.90111.4I168 F171 F173 H175 F176 L233 N234I168-K236 HydrophobicContact CG2-CG 3.85Å; I168-K236 WeakPolarHBondContact O-CE 3.5Å; F171-K236 PolarHBondContact O-NZ 3.35Å; F171-K236 VanDerWaalsContact O-NZ 3.08Å; F173-K236 PolarHBondContact O-NZ 3.33Å; H175-K236 CarbonylContact C-O 3.5Å; H175-K236 WeakPolarHBondContact CA-O 3.29Å; F176-K236 PolarHBondContact N-O 2.78Å; L233-K236 HydrophobicContact CB-CB 4.42Å; L233-K236 HydrophobicContact CD2-CB 4.25Å; L233-K236 HydrophobicContact CD2-CG 4.16Å; L233-K236 WeakPolarHBondContact O-CB 3.32Å; L233-K236 PolarHBondContact O-N 2.96Å; N234-K236 VanDerWaalsContact C-N 3.31Å; N234-K236 PolarHBondContact O-N 3.27Å
237I96.9Very high95.1Very high1 Ų134.1 Ų34.11%0.00517%0.166CC..EExtended strand (participates in β ladder)trans-132.8122.7173.7-52.2177.1000108.6I105 I168 F176 W179 L233 N234 M235 Y240I105-I237 HydrophobicContact CD1-CD1 3.66Å; I105-I237 HydrophobicContact CD1-CG1 4.2Å; I168-I237 HydrophobicContact CD1-CD1 4.26Å; F176-I237 HydrophobicContact CB-CG1 4.29Å; F176-I237 CarbonylContact O-C 3.57Å; F176-I237 VanDerWaalsContact O-CA 3.29Å; F176-I237 WeakPolarHBondContact O-CA 3.45Å; W179-I237 HydrophobicContact CB-CD1 4.29Å; W179-I237 HydrophobicContact CB-CG2 4.45Å; W179-I237 HydrophobicContact CD2-CD1 3.95Å; W179-I237 HydrophobicContact CE3-CD1 3.25Å; W179-I237 HydrophobicContact CG-CD1 4.39Å; W179-I237 HydrophobicContact CZ3-CD1 3.89Å; L233-I237 HydrophobicContact CD1-CD1 4.06Å; N234-I237 VanDerWaalsContact O-O 3.08Å; M235-I237 PolarHBondContact O-N 2.85Å; I237-Y240 HydrophobicContact CB-CD1 4.18Å; I237-Y240 HydrophobicContact CB-CE1 3.64Å; I237-Y240 HydrophobicContact CB-CE2 4.27Å; I237-Y240 HydrophobicContact CD1-CD1 4.37Å; I237-Y240 HydrophobicContact CD1-CE1 3.8Å; I237-Y240 HydrophobicContact CG1-CE1 4.13Å; I237-Y240 HydrophobicContact CG2-CD1 4.15Å; I237-Y240 HydrophobicContact CG2-CE1 4.13Å; I237-Y240 WeakPolarHBondContact O-CE2 3.49Å
238R96.3Very high94.9Very high40 Ų4039.3 Ų39.315%0.15119%0.192CC..EExtended strand (participates in β ladder)trans-72.7-39.2-173.3-50.6-74.8-65.8-81.22.9112.4F97 H175 F176 H177 T280 D282F97-R238 HydrophobicContact CE1-CB 4.09Å; F97-R238 HydrophobicContact CE1-CG 4.23Å; F97-R238 VanDerWaalsContact CE1-CZ 3.46Å; F97-R238 HydrophobicContact CE2-CB 4.15Å; F97-R238 HydrophobicContact CZ-CB 3.44Å; F97-R238 VanDerWaalsContact CZ-CB 3.44Å; F97-R238 HydrophobicContact CZ-CG 4.04Å; H175-R238 HydrophobicContact CB-CG 4.47Å; H175-R238 VanDerWaalsContact CD2-CG 3.4Å; H175-R238 WeakPolarHBondContact CD2-CG 3.38Å; F176-R238 WeakPolarHBondContact O-CG 3.31Å; F176-R238 PolarHBondContact O-N 3.11Å; H177-R238 WeakPolarHBondContact O-CB 3.38Å; R238-T280 WeakPolarHBondContact O-CB 3.21Å; R238-T280 PolarHBondContact O-OG1 2.84Å; R238-D282 IonicContact CZ-OD2 3.56Å; R238-D282 IonicContact NE-OD2 3.81Å; R238-D282 PolarHBondContact NE-OD2 3.43Å; R238-D282 IonicContact NH2-OD2 2.68Å; R238-D282 PolarHBondContact NH2-OD2 3.37Å
239I97.2Very high94.9Very high0 Ų036.1 Ų36.10%018%0.175CC..EExtended strand (participates in β ladder)trans-131.5121.6178.6-53.3-171.3000111.1M93 F97 H177 F178 W179 T241 A278 V285 L287M93-I239 HydrophobicContact CE-CD1 3.77Å; M93-I239 HydrophobicContact CE-CG1 4.43Å; F97-I239 HydrophobicContact CE2-CD1 3.68Å; F97-I239 HydrophobicContact CE2-CG1 3.91Å; F97-I239 HydrophobicContact CZ-CD1 4.13Å; F97-I239 HydrophobicContact CZ-CG1 4.08Å; H177-I239 PolarHBondContact O-N 2.86Å; F178-I239 CarbonylContact C-O 3.43Å; F178-I239 WeakPolarHBondContact CA-O 3.31Å; F178-I239 HydrophobicContact CB-CB 4.13Å; F178-I239 WeakPolarHBondContact CB-O 3.37Å; W179-I239 PolarHBondContact N-O 3.22Å; W179-I239 VanDerWaalsContact N-O 3.1Å; I239-T241 HydrophobicContact CG2-CG2 3.9Å; I239-A278 HydrophobicContact CG2-CB 4.17Å; I239-V285 HydrophobicContact CD1-CG1 3.58Å; I239-V285 HydrophobicContact CD1-CG2 4.44Å; I239-V285 HydrophobicContact CG1-CG1 3.81Å; I239-V285 HydrophobicContact CG1-CG2 4.22Å; I239-L287 HydrophobicContact CD1-CD2 4.21Å; I239-L287 HydrophobicContact CG2-CD2 4.28Å
240Y97.7Very high94.8Very high0 Ų034.8 Ų34.80%017%0.169CC..EExtended strand (participates in β ladder)trans-95.8133.1176.6-62.2-83000109.8W179 S230 L233 N234 I237 A278 W279 F281W179-Y240 AromaticContact CD2-CD1 3.54Å; W179-Y240 HydrophobicContact CD2-CD1 3.54Å; W179-Y240 HydrophobicContact CD2-CE1 4.11Å; W179-Y240 AromaticContact CE2-CD1 3.27Å; W179-Y240 AromaticContact CE3-CD1 3.93Å; W179-Y240 HydrophobicContact CE3-CD1 3.93Å; W179-Y240 HydrophobicContact CE3-CE1 4.02Å; W179-Y240 HydrophobicContact CG-CD1 4.17Å; W179-Y240 AromaticContact CH2-CD1 3.72Å; W179-Y240 HydrophobicContact CH2-CD1 3.72Å; W179-Y240 AromaticContact CH2-CE1 3.79Å; W179-Y240 HydrophobicContact CH2-CE1 3.79Å; W179-Y240 AromaticContact CZ2-CD1 3.34Å; W179-Y240 HydrophobicContact CZ2-CD1 3.34Å; W179-Y240 AromaticContact CZ2-CE1 3.92Å; W179-Y240 HydrophobicContact CZ2-CE1 3.92Å; W179-Y240 HydrophobicContact CZ2-CG 4.24Å; W179-Y240 HydrophobicContact CZ3-CD1 4.02Å; W179-Y240 AromaticContact CZ3-CE1 3.88Å; W179-Y240 HydrophobicContact CZ3-CE1 3.88Å; W179-Y240 AromaticContact NE1-CD1 3.69Å; S230-Y240 VanDerWaalsContact CB-CD1 3.47Å; S230-Y240 PolarHBondContact O-OH 2.85Å; L233-Y240 VanDerWaalsContact C-OH 3.29Å; L233-Y240 HydrophobicContact CB-CE1 4.34Å; L233-Y240 VanDerWaalsContact CB-OH 3.24Å; L233-Y240 WeakPolarHBondContact CB-OH 3.47Å; N234-Y240 PolarHBondContact N-OH 2.97Å; N234-Y240 WeakPolarHBondContact O-CE2 3.32Å; N234-Y240 PolarHBondContact O-OH 3.01Å; I237-Y240 HydrophobicContact CB-CD1 4.18Å; I237-Y240 HydrophobicContact CB-CE1 3.64Å; I237-Y240 HydrophobicContact CB-CE2 4.27Å; I237-Y240 HydrophobicContact CD1-CD1 4.37Å; I237-Y240 HydrophobicContact CD1-CE1 3.8Å; I237-Y240 HydrophobicContact CG1-CE1 4.13Å; I237-Y240 HydrophobicContact CG2-CD1 4.15Å; I237-Y240 HydrophobicContact CG2-CE1 4.13Å; I237-Y240 WeakPolarHBondContact O-CE2 3.49Å; Y240-A278 CarbonylContact O-C 3.6Å; Y240-A278 WeakPolarHBondContact O-CA 3.44Å; Y240-W279 AromaticContact CD2-NE1 3.92Å; Y240-W279 AromaticContact CG-CE2 3.95Å; Y240-W279 HydrophobicContact CG-CZ2 4.27Å; Y240-W279 AromaticContact CG-NE1 3.7Å; Y240-W279 PolarHBondContact N-O 2.92Å; Y240-W279 PolarHBondContact O-N 2.84Å; Y240-F281 HydrophobicContact CD2-CD2 4.06Å; Y240-F281 HydrophobicContact CD2-CE2 4.02Å; Y240-F281 AromaticContact CE2-CD2 3.49Å; Y240-F281 HydrophobicContact CE2-CD2 3.49Å; Y240-F281 VanDerWaalsContact CE2-CD2 3.49Å; Y240-F281 AromaticContact CE2-CE2 3.67Å; Y240-F281 HydrophobicContact CE2-CE2 3.67Å
241T97.9Very high94.7Very high0 Ų038.3 Ų38.30%018%0.183CC..EExtended strand (participates in β ladder)trans-138.2155.6178.380.60000113.4Y85 W88 L89 W179 M180 I239 V277 A278Y85-T241 PolarHBondContact OH-OG1 3.37Å; W88-T241 HydrophobicContact CZ3-CG2 4.39Å; L89-T241 HydrophobicContact CD2-CG2 3.58Å; W179-T241 PolarHBondContact NE1-O 2.9Å; W179-T241 PolarHBondContact O-N 3.19Å; W179-T241 PolarHBondContact O-OG1 3.49Å; M180-T241 WeakPolarHBondContact CA-OG1 3.21Å; I239-T241 HydrophobicContact CG2-CG2 3.9Å; T241-V277 CarbonylContact C-O 3.51Å; T241-V277 WeakPolarHBondContact CA-O 3.49Å; T241-V277 WeakPolarHBondContact CB-O 3.36Å; T241-A278 HydrophobicContact CG2-CB 3.73Å
242S97.8Very high94.7Very high0 Ų036.6 Ų36.60%017%0.173CC..EExtended strand (participates in β ladder)trans-153139.6170.4-171.50000111.2Y85 A276 V277Y85-S242 WeakPolarHBondContact OH-CA 3.31Å; Y85-S242 PolarHBondContact OH-N 2.86Å; S242-A276 VanDerWaalsContact O-CA 3.28Å; S242-A276 WeakPolarHBondContact O-CA 3.28Å; S242-V277 PolarHBondContact N-O 2.98Å; S242-V277 PolarHBondContact O-N 3.46Å
243M97.5Very high94.7Very high5 Ų531 Ų313%0.02515%0.149CC..EExtended strand (participates in β ladder)trans-75.5147.2169-169.5178.5-56.400110.4Y85 Y115 C181 N182 P183 F185 F267 R274 W275Y85-M243 HydrophobicContact CD1-CB 4.38Å; Y85-M243 HydrophobicContact CD1-CE 3.32Å; Y85-M243 HydrophobicContact CE1-CB 3.95Å; Y85-M243 HydrophobicContact CE1-CE 4.02Å; Y85-M243 HydrophobicContact CG-CE 3.87Å; Y115-M243 VanDerWaalsContact OH-CE 3.25Å; Y115-M243 WeakPolarHBondContact OH-CE 3.49Å; C181-M243 PolarHBondContact O-N 3.35Å; N182-M243 PolarHBondContact OD1-SD 3.43Å; N182-M243 VanDerWaalsContact OD1-SD 3.4Å; P183-M243 WeakPolarHBondContact CD-O 3.21Å; P183-M243 WeakPolarHBondContact CG-O 3.24Å; F185-M243 HydrophobicContact CZ-SD 4.49Å; M243-F267 HydrophobicContact CE-CD2 3.99Å; M243-F267 HydrophobicContact CE-CE2 3.97Å; M243-F267 HydrophobicContact CG-CE2 4.48Å; M243-R274 HydrophobicContact CG-CB 4.15Å; M243-R274 HydrophobicContact SD-CB 3.91Å; M243-R274 HydrophobicContact SD-CG 3.92Å; M243-W275 CarbonylContact C-O 3.55Å; M243-W275 WeakPolarHBondContact CA-O 3.39Å; M243-W275 VanDerWaalsContact CG-O 3.28Å; M243-W275 WeakPolarHBondContact CG-O 3.42Å
244L96.4Very high94.6Very high0 Ų032 Ų320%015%0.154CC..EExtended strand (participates in β ladder)trans-120121.3170.6-56.6173000109.3E219 V223 L250 V253 W275 V277E219-L244 HydrophobicContact CG-CD2 3.95Å; V223-L244 HydrophobicContact CB-CD2 4.49Å; V223-L244 HydrophobicContact CG1-CD2 4.42Å; V223-L244 HydrophobicContact CG2-CD2 3.85Å; L244-L250 HydrophobicContact CD1-CD2 3.71Å; L244-L250 HydrophobicContact CD1-CG 4.32Å; L244-V253 HydrophobicContact CD1-CB 4.47Å; L244-V253 HydrophobicContact CD1-CG1 4.44Å; L244-V253 HydrophobicContact CD2-CG2 4.17Å; L244-W275 HydrophobicContact CB-CB 4.24Å; L244-W275 PolarHBondContact N-O 3.3Å; L244-W275 PolarHBondContact O-N 3.14Å; L244-V277 HydrophobicContact CD1-CG1 4.08Å
245G92.8Very high94.5Very high7 Ų731.2 Ų31.27%0.07215%0.149CC..SBendtrans-67.4-35.8173.100000113.6E219 R274E219-G245 VanDerWaalsContact CD-N 3.32Å; E219-G245 PolarHBondContact OE1-N 3.43Å; E219-G245 VanDerWaalsContact OE2-CA 3.28Å; E219-G245 WeakPolarHBondContact OE2-CA 3.48Å; E219-G245 PolarHBondContact OE2-N 2.91Å; G245-R274 VanDerWaalsContact CA-CD 3.49Å; G245-R274 PolarHBondContact O-NH1 3.22Å
246R91Very high94.4Very high43 Ų4331.8 Ų31.816%0.16215%0.15CC..  trans-121.9132.2-168.3-61.1169.670.1-171.29.3111.5F185 E190 E219 I248 S249F185-R246 WeakPolarHBondContact O-CD 3.08Å; E190-R246 IonicContact OE1-CZ 3.96Å; E190-R246 VanDerWaalsContact OE1-CZ 3.28Å; E190-R246 IonicContact OE1-NH1 3.55Å; E190-R246 PolarHBondContact OE1-NH1 3.4Å; E190-R246 IonicContact OE1-NH2 3.47Å; E190-R246 PolarHBondContact OE1-NH2 3.34Å; E190-R246 IonicContact OE2-CZ 2.99Å; E190-R246 IonicContact OE2-NH1 3.72Å; E190-R246 IonicContact OE2-NH2 3.91Å; E219-R246 PolarHBondContact OE1-N 3.23Å; R246-I248 HydrophobicContact CB-CG1 4.09Å; R246-I248 PolarHBondContact O-N 2.95Å; R246-S249 WeakPolarHBondContact O-CB 3.37Å; R246-S249 PolarHBondContact O-N 3.05Å; R246-S249 VanDerWaalsContact O-N 3.07Å; R246-S249 PolarHBondContact O-OG 2.75Å
247K90.5Very high94.2Very high111 Ų11130.3 Ų30.348%0.48314%0.143SC..G310 helixtrans-58.8-34.8179.4-163.2174.3178.2177.60112.3S249 L250 W275K247-S249 PolarHBondContact O-N 3.43Å; K247-L250 HydrophobicContact CG-CD1 3.94Å; K247-L250 WeakPolarHBondContact O-CB 3.29Å; K247-L250 WeakPolarHBondContact O-CG 3.4Å; K247-L250 PolarHBondContact O-N 2.64Å; K247-W275 HydrophobicContact CB-CE3 4.47Å; K247-W275 HydrophobicContact CB-CH2 3.4Å; K247-W275 HydrophobicContact CB-CZ2 3.71Å; K247-W275 HydrophobicContact CB-CZ3 3.82Å; K247-W275 HydrophobicContact CD-CH2 4.32Å; K247-W275 HydrophobicContact CD-CZ2 3.91Å; K247-W275 HydrophobicContact CG-CH2 3.9Å; K247-W275 HydrophobicContact CG-CZ2 3.63Å
248I91.2Very high93.3Very high117 Ų11737.8 Ų37.860%0.617%0.171SC*.G310 helixtrans-66.5-23.9-178.763.6169.8000112.6R246 L250 P252R246-I248 HydrophobicContact CB-CG1 4.09Å; R246-I248 PolarHBondContact O-N 2.95Å; I248-L250 VanDerWaalsContact C-N 3.28Å; I248-L250 PolarHBondContact O-N 2.85Å; I248-P252 VanDerWaalsContact O-CD 3.26Å; I248-P252 WeakPolarHBondContact O-CD 3.41Å
249S93.8Very high91.9Very high1 Ų141.5 Ų41.51%0.00720%0.204CC..G310 helixtrans-71.9-22.9177.8-480000112.7E219 R246 K247 R251 P252 V253E219-S249 WeakPolarHBondContact OE1-CB 3.46Å; E219-S249 PolarHBondContact OE1-OG 2.73Å; R246-S249 WeakPolarHBondContact O-CB 3.37Å; R246-S249 PolarHBondContact O-N 3.05Å; R246-S249 VanDerWaalsContact O-N 3.07Å; R246-S249 PolarHBondContact O-OG 2.75Å; K247-S249 PolarHBondContact O-N 3.43Å; S249-R251 VanDerWaalsContact C-N 3.34Å; S249-R251 PolarHBondContact O-N 3.44Å; S249-P252 VanDerWaalsContact O-CD 3.28Å; S249-P252 WeakPolarHBondContact O-CD 3.44Å; S249-P252 WeakPolarHBondContact O-CG 3.32Å; S249-V253 WeakPolarHBondContact O-CB 3.31Å; S249-V253 VanDerWaalsContact O-CG2 3.23Å; S249-V253 WeakPolarHBondContact O-CG2 3.33Å; S249-V253 PolarHBondContact O-N 2.85Å; S249-V253 VanDerWaalsContact O-N 3.16Å
250L92Very high90.6Very high8 Ų842.7 Ų42.74%0.04221%0.212CC..Hα-helixtrans-55.1-49.1-177.2-75.9168.6000112.2L244 K247 I248 M254 L264 W275L244-L250 HydrophobicContact CD1-CD2 3.71Å; L244-L250 HydrophobicContact CD1-CG 4.32Å; K247-L250 HydrophobicContact CG-CD1 3.94Å; K247-L250 WeakPolarHBondContact O-CB 3.29Å; K247-L250 WeakPolarHBondContact O-CG 3.4Å; K247-L250 PolarHBondContact O-N 2.64Å; I248-L250 VanDerWaalsContact C-N 3.28Å; I248-L250 PolarHBondContact O-N 2.85Å; L250-M254 VanDerWaalsContact O-CB 3.24Å; L250-M254 WeakPolarHBondContact O-CB 3.42Å; L250-M254 WeakPolarHBondContact O-CG 3.28Å; L250-M254 PolarHBondContact O-N 3.21Å; L250-L264 HydrophobicContact CD2-CD1 3.43Å; L250-L264 VanDerWaalsContact CD2-CD1 3.43Å; L250-L264 HydrophobicContact CD2-CD2 4.12Å; L250-L264 HydrophobicContact CD2-CG 4.43Å; L250-W275 HydrophobicContact CD1-CD2 3.94Å; L250-W275 HydrophobicContact CD1-CG 3.81Å; L250-W275 HydrophobicContact CD2-CB 3.75Å; L250-W275 HydrophobicContact CD2-CG 3.88Å; L250-W275 HydrophobicContact CG-CB 4.42Å; L250-W275 HydrophobicContact CG-CD2 4.4Å; L250-W275 HydrophobicContact CG-CG 4.14Å
251R91.5Very high89.6Confident75 Ų7544.7 Ų44.728%0.28323%0.233SC..Hα-helixtrans-63.4-54.5-173.9-179.165.4-166-176.53.7112.9S249 V253 M254 D255S249-R251 VanDerWaalsContact C-N 3.34Å; S249-R251 PolarHBondContact O-N 3.44Å; R251-V253 PolarHBondContact O-N 3.07Å; R251-M254 PolarHBondContact O-N 2.99Å; R251-D255 IonicContact CZ-OD1 2.69Å; R251-D255 IonicContact CZ-OD2 3.44Å; R251-D255 IonicContact NE-OD1 3.52Å; R251-D255 PolarHBondContact NE-OD1 3.16Å; R251-D255 IonicContact NE-OD2 2.96Å; R251-D255 PolarHBondContact NE-OD2 2.84Å; R251-D255 IonicContact NH1-OD1 2.64Å; R251-D255 IonicContact NH2-OD1 2.64Å; R251-D255 PolarHBondContact NH2-OD1 2.97Å; R251-D255 IonicContact NH2-OD2 3.06Å; R251-D255 PolarHBondContact NH2-OD2 2.81Å; R251-D255 VanDerWaalsContact NH2-OD2 3.12Å; R251-D255 WeakPolarHBondContact O-CB 3.35Å; R251-D255 PolarHBondContact O-N 3.18Å
252P94.4Very high89Confident54 Ų5445.8 Ų45.835%0.35124%0.239SC..Hα-helixtrans-63.8-37.7179.523.3-33.4000112.8V220 I248 S249 D255 K256V220-P252 HydrophobicContact CB-CG 4.5Å; V220-P252 HydrophobicContact CG1-CB 3.82Å; V220-P252 HydrophobicContact CG1-CG 3.84Å; V220-P252 HydrophobicContact CG2-CG 3.75Å; I248-P252 VanDerWaalsContact O-CD 3.26Å; I248-P252 WeakPolarHBondContact O-CD 3.41Å; S249-P252 VanDerWaalsContact O-CD 3.28Å; S249-P252 WeakPolarHBondContact O-CD 3.44Å; S249-P252 WeakPolarHBondContact O-CG 3.32Å; P252-D255 PolarHBondContact O-N 2.76Å; P252-K256 PolarHBondContact O-N 2.72Å
253V94.8Very high88.7Confident0 Ų046.1 Ų46.10%024%0.241CC..Hα-helixtrans-64.3-46.4176.6172.10000111.1V223 I227 L244 S249 R251 D255 K256 L257 V277V223-V253 HydrophobicContact CB-CG2 4.18Å; V223-V253 HydrophobicContact CG1-CG1 3.79Å; V223-V253 HydrophobicContact CG1-CG2 3.96Å; I227-V253 HydrophobicContact CD1-CG1 4.21Å; L244-V253 HydrophobicContact CD1-CB 4.47Å; L244-V253 HydrophobicContact CD1-CG1 4.44Å; L244-V253 HydrophobicContact CD2-CG2 4.17Å; S249-V253 WeakPolarHBondContact O-CB 3.31Å; S249-V253 VanDerWaalsContact O-CG2 3.23Å; S249-V253 WeakPolarHBondContact O-CG2 3.33Å; S249-V253 PolarHBondContact O-N 2.85Å; S249-V253 VanDerWaalsContact O-N 3.16Å; R251-V253 PolarHBondContact O-N 3.07Å; V253-D255 VanDerWaalsContact C-N 3.28Å; V253-D255 PolarHBondContact O-N 3.04Å; V253-K256 WeakPolarHBondContact O-CB 3.3Å; V253-K256 PolarHBondContact O-N 2.99Å; V253-L257 HydrophobicContact CG1-CD1 4.14Å; V253-L257 WeakPolarHBondContact O-CG 3.23Å; V253-L257 PolarHBondContact O-N 3.35Å; V253-L257 VanDerWaalsContact O-N 3.13Å; V253-V277 HydrophobicContact CG1-CG1 4.38Å; V253-V277 HydrophobicContact CG1-CG2 4.06Å
254M92Very high88.4Confident28 Ų2846.4 Ų46.414%0.13824%0.243CC..Hα-helixtrans-64.5-33.5176-69.8-62.5-56.900112.3L250 R251 K256 L257 R258 V262 L264 V277 I297L250-M254 VanDerWaalsContact O-CB 3.24Å; L250-M254 WeakPolarHBondContact O-CB 3.42Å; L250-M254 WeakPolarHBondContact O-CG 3.28Å; L250-M254 PolarHBondContact O-N 3.21Å; R251-M254 PolarHBondContact O-N 2.99Å; M254-K256 VanDerWaalsContact C-N 3.34Å; M254-L257 PolarHBondContact O-N 2.89Å; M254-R258 PolarHBondContact O-N 2.94Å; M254-V262 HydrophobicContact CE-CB 4.17Å; M254-V262 HydrophobicContact CE-CG1 3.56Å; M254-V262 HydrophobicContact SD-CG1 3.7Å; M254-L264 HydrophobicContact SD-CD2 4.35Å; M254-V277 HydrophobicContact SD-CG1 3.91Å; M254-I297 HydrophobicContact CG-CD1 4.42Å
255D91.9Very high88.2Confident55 Ų5547.7 Ų47.729%0.29425%0.251SS..Hα-helixtrans-67.7-33.6176.1-78.8-18.3000112.2R251 P252 V253 R258R251-D255 IonicContact CZ-OD1 2.69Å; R251-D255 IonicContact CZ-OD2 3.44Å; R251-D255 IonicContact NE-OD1 3.52Å; R251-D255 PolarHBondContact NE-OD1 3.16Å; R251-D255 IonicContact NE-OD2 2.96Å; R251-D255 PolarHBondContact NE-OD2 2.84Å; R251-D255 IonicContact NH1-OD1 2.64Å; R251-D255 IonicContact NH2-OD1 2.64Å; R251-D255 PolarHBondContact NH2-OD1 2.97Å; R251-D255 IonicContact NH2-OD2 3.06Å; R251-D255 PolarHBondContact NH2-OD2 2.81Å; R251-D255 VanDerWaalsContact NH2-OD2 3.12Å; R251-D255 WeakPolarHBondContact O-CB 3.35Å; R251-D255 PolarHBondContact O-N 3.18Å; P252-D255 PolarHBondContact O-N 2.76Å; V253-D255 VanDerWaalsContact C-N 3.28Å; V253-D255 PolarHBondContact O-N 3.04Å; D255-R258 WeakPolarHBondContact O-CG 3.4Å; D255-R258 IonicContact OD1-CZ 3.23Å; D255-R258 IonicContact OD1-NE 3.4Å; D255-R258 PolarHBondContact OD1-NE 3.09Å; D255-R258 IonicContact OD1-NH2 2.83Å; D255-R258 PolarHBondContact OD1-NH2 2.89Å; D255-R258 IonicContact OD2-NH2 3.42Å; D255-R258 PolarHBondContact OD2-NH2 3.34Å
256K93.5Very high88.3Confident91 Ų9149.3 Ų49.340%0.39626%0.259SS..Hα-helixtrans-69.3-34.4171.7-177.372.7176.7-170.10112.6T224 I227 D228 P252 V253 M254 R258T224-K256 HydrophobicContact CG2-CB 4.26Å; T224-K256 HydrophobicContact CG2-CG 4.15Å; I227-K256 HydrophobicContact CB-CG 4.32Å; I227-K256 HydrophobicContact CD1-CB 4.21Å; I227-K256 HydrophobicContact CD1-CG 3.88Å; I227-K256 HydrophobicContact CG2-CG 3.93Å; D228-K256 WeakPolarHBondContact OD1-CE 3.48Å; D228-K256 IonicContact OD1-NZ 2.9Å; D228-K256 PolarHBondContact OD1-NZ 3.19Å; D228-K256 IonicContact OD2-NZ 3.21Å; P252-K256 PolarHBondContact O-N 2.72Å; V253-K256 WeakPolarHBondContact O-CB 3.3Å; V253-K256 PolarHBondContact O-N 2.99Å; M254-K256 VanDerWaalsContact C-N 3.34Å; K256-R258 VanDerWaalsContact C-N 3.35Å; K256-R258 PolarHBondContact O-N 3.1Å
257L91.9Very high88.4Confident1 Ų147.6 Ų47.61%0.00525%0.253CS..THydrogen-bonded Turntrans-84.13.4-177.1-70.7173.4000115.2I227 V253 M254 S259 S260 V262 V277 W279I227-L257 HydrophobicContact CD1-CD1 4.28Å; I227-L257 HydrophobicContact CD1-CD2 3.69Å; I227-L257 HydrophobicContact CD1-CG 3.7Å; I227-L257 HydrophobicContact CG1-CD2 3.79Å; I227-L257 HydrophobicContact CG1-CG 4.35Å; I227-L257 HydrophobicContact CG2-CD2 3.93Å; V253-L257 HydrophobicContact CG1-CD1 4.14Å; V253-L257 WeakPolarHBondContact O-CG 3.23Å; V253-L257 PolarHBondContact O-N 3.35Å; V253-L257 VanDerWaalsContact O-N 3.13Å; M254-L257 PolarHBondContact O-N 2.89Å; L257-S259 PolarHBondContact O-N 3.39Å; L257-S260 PolarHBondContact O-N 3.32Å; L257-V262 HydrophobicContact CB-CG2 3.64Å; L257-V262 HydrophobicContact CD1-CG1 4.15Å; L257-V262 HydrophobicContact CD1-CG2 4.26Å; L257-V262 HydrophobicContact CG-CG2 4.47Å; L257-V277 HydrophobicContact CD1-CB 4.28Å; L257-V277 HydrophobicContact CD1-CG2 4.35Å; L257-W279 HydrophobicContact CD1-CB 4.49Å; L257-W279 HydrophobicContact CD1-CD2 4.4Å; L257-W279 HydrophobicContact CD1-CE3 4.09Å; L257-W279 HydrophobicContact CD2-CB 3.86Å; L257-W279 HydrophobicContact CD2-CD2 3.62Å; L257-W279 HydrophobicContact CD2-CE3 4.12Å; L257-W279 HydrophobicContact CD2-CG 3.5Å
258R78Confident88.4Confident157 Ų15742.5 Ų42.559%0.59223%0.232SC*.THydrogen-bonded Turntrans-54.9-23.2-169.3-77.8179.4-179-168.915.9116.1M254 D255 K256M254-R258 PolarHBondContact O-N 2.94Å; D255-R258 WeakPolarHBondContact O-CG 3.4Å; D255-R258 IonicContact OD1-CZ 3.23Å; D255-R258 IonicContact OD1-NE 3.4Å; D255-R258 PolarHBondContact OD1-NE 3.09Å; D255-R258 IonicContact OD1-NH2 2.83Å; D255-R258 PolarHBondContact OD1-NH2 2.89Å; D255-R258 IonicContact OD2-NH2 3.42Å; D255-R258 PolarHBondContact OD2-NH2 3.34Å; K256-R258 VanDerWaalsContact C-N 3.35Å; K256-R258 PolarHBondContact O-N 3.1Å
259S66.9Low88.3Confident118 Ų11838.2 Ų38.283%0.82521%0.209SC*.THydrogen-bonded Turntrans-92.7-2.6179.6550000114.5L257L257-S259 PolarHBondContact O-N 3.39Å
260S69.9Low88Confident26 Ų2639.4 Ų39.418%0.18222%0.221CC..SBendtrans-107.4158.2-178.1-59.10000110.9L257 V262L257-S260 PolarHBondContact O-N 3.32Å; S260-V262 WeakPolarHBondContact O-CG2 3.28Å; S260-V262 PolarHBondContact O-N 2.85Å
261G75.1Confident87.7Confident42 Ų4244.6 Ų44.643%0.43324%0.243SC..EExtended strand (participates in β ladder)trans-63.3129.4161.500000108.3W279 T280 L287G261-W279 WeakPolarHBondContact O-CA 3.26Å; G261-W279 WeakPolarHBondContact O-CB 3.43Å; G261-T280 PolarHBondContact O-N 3.42Å; G261-L287 WeakPolarHBondContact O-CD1 3.45Å
262V87.1Confident87.5Confident23 Ų2343.9 Ų43.914%0.13925%0.247CC..EExtended strand (participates in β ladder)trans-131133.1-176.2-173.90000111.7M254 L257 S260 A278 W279M254-V262 HydrophobicContact CE-CB 4.17Å; M254-V262 HydrophobicContact CE-CG1 3.56Å; M254-V262 HydrophobicContact SD-CG1 3.7Å; L257-V262 HydrophobicContact CB-CG2 3.64Å; L257-V262 HydrophobicContact CD1-CG1 4.15Å; L257-V262 HydrophobicContact CD1-CG2 4.26Å; L257-V262 HydrophobicContact CG-CG2 4.47Å; S260-V262 WeakPolarHBondContact O-CG2 3.28Å; S260-V262 PolarHBondContact O-N 2.85Å; V262-A278 CarbonylContact C-O 3.44Å; V262-A278 VanDerWaalsContact CA-O 3.25Å; V262-A278 WeakPolarHBondContact CA-O 3.4Å; V262-A278 WeakPolarHBondContact CG1-O 3.35Å; V262-W279 HydrophobicContact CG2-CB 4.39Å
263S89.8Confident87.4Confident6 Ų644.6 Ų44.64%0.04225%0.246CC..EExtended strand (participates in β ladder)trans-111.1149.5163.4-168.80000110.6V277 A278 R288S263-V277 CarbonylContact O-C 3.57Å; S263-V277 WeakPolarHBondContact O-CA 3.14Å; S263-A278 PolarHBondContact N-O 3.24Å; S263-A278 PolarHBondContact O-N 3.42Å; S263-R288 WeakPolarHBondContact CB-O 3.33Å; S263-R288 PolarHBondContact OG-O 3.33Å
264L92.2Very high87.4Confident11 Ų1147.9 Ų47.96%0.05826%0.258CS..EExtended strand (participates in β ladder)trans-138.5132.3-179.7173.760.3000109L250 M254 W275 A276 V277 I293 I297L250-L264 HydrophobicContact CD2-CD1 3.43Å; L250-L264 VanDerWaalsContact CD2-CD1 3.43Å; L250-L264 HydrophobicContact CD2-CD2 4.12Å; L250-L264 HydrophobicContact CD2-CG 4.43Å; M254-L264 HydrophobicContact SD-CD2 4.35Å; L264-W275 HydrophobicContact CD1-CB 4.3Å; L264-A276 WeakPolarHBondContact CA-O 3.36Å; L264-A276 WeakPolarHBondContact CD1-O 3.43Å; L264-V277 HydrophobicContact CD1-CG1 3.85Å; L264-I293 HydrophobicContact CD2-CB 3.87Å; L264-I293 HydrophobicContact CD2-CD1 4.43Å; L264-I293 HydrophobicContact CD2-CG2 3.26Å; L264-I293 HydrophobicContact CG-CB 4.29Å; L264-I293 HydrophobicContact CG-CD1 3.92Å; L264-I293 HydrophobicContact CG-CG2 3.95Å; L264-I297 HydrophobicContact CD2-CD1 4.37Å
265T93Very high87.5Confident27 Ų2747.7 Ų47.717%0.16626%0.256CS..EExtended strand (participates in β ladder)trans-133.2167.4177.6-1660000112W88 F267 W275 A276W88-T265 HydrophobicContact CD2-CG2 3.51Å; W88-T265 VanDerWaalsContact CE2-CG2 3.43Å; W88-T265 HydrophobicContact CE3-CG2 3.98Å; W88-T265 HydrophobicContact CG-CG2 3.86Å; W88-T265 HydrophobicContact CH2-CG2 4.16Å; W88-T265 HydrophobicContact CZ2-CG2 3.77Å; W88-T265 HydrophobicContact CZ3-CG2 4.28Å; T265-F267 HydrophobicContact CG2-CD1 4.12Å; T265-F267 HydrophobicContact CG2-CE1 3.39Å; T265-F267 HydrophobicContact CG2-CZ 3.71Å; T265-W275 VanDerWaalsContact O-CA 3.3Å; T265-W275 WeakPolarHBondContact O-CA 3.37Å; T265-A276 HydrophobicContact CG2-CB 3.99Å; T265-A276 PolarHBondContact N-O 3.16Å; T265-A276 PolarHBondContact O-N 3.06Å; T265-A276 VanDerWaalsContact O-N 3.11Å
266T94.1Very high87.8Confident41 Ų4145.1 Ų45.125%0.25224%0.242SC..EExtended strand (participates in β ladder)trans-123.1121.2174.8-56.30000109.4Q273 R274 W275T266-Q273 HydrophobicContact CG2-CB 4.46Å; T266-R274 CarbonylContact C-O 3.43Å; T266-R274 WeakPolarHBondContact CA-O 3.42Å; T266-W275 VanDerWaalsContact OG1-CD1 3.29Å; T266-W275 PolarHBondContact OG1-NE1 3.47Å
267F94.1Very high87.9Confident8 Ų840.8 Ų40.84%0.03522%0.224CC..EExtended strand (participates in β ladder)trans-89129.3169.9-51-40.5000109.6N84 Y85 W88 M243 T265 Q273 R274 A276N84-F267 HydrophobicContact CB-CB 4.01Å; N84-F267 HydrophobicContact CB-CD1 3.98Å; N84-F267 HydrophobicContact CB-CG 4.07Å; N84-F267 WeakPolarHBondContact O-CE1 3.47Å; Y85-F267 HydrophobicContact CD1-CE2 4.37Å; Y85-F267 AromaticContact CD2-CE2 3.69Å; Y85-F267 HydrophobicContact CD2-CE2 3.69Å; Y85-F267 AromaticContact CD2-CZ 3.48Å; Y85-F267 HydrophobicContact CD2-CZ 3.48Å; Y85-F267 VanDerWaalsContact CD2-CZ 3.48Å; Y85-F267 HydrophobicContact CE2-CE2 4.44Å; Y85-F267 HydrophobicContact CE2-CZ 4.27Å; Y85-F267 AromaticContact CG-CE2 3.65Å; Y85-F267 HydrophobicContact CG-CE2 3.65Å; Y85-F267 AromaticContact CG-CZ 3.86Å; Y85-F267 HydrophobicContact CG-CZ 3.86Å; W88-F267 HydrophobicContact CB-CE1 3.79Å; W88-F267 HydrophobicContact CB-CZ 4.32Å; W88-F267 HydrophobicContact CD2-CE1 4.29Å; W88-F267 HydrophobicContact CD2-CZ 4.27Å; W88-F267 HydrophobicContact CE3-CE1 4.32Å; W88-F267 AromaticContact CE3-CZ 3.84Å; W88-F267 HydrophobicContact CE3-CZ 3.84Å; W88-F267 HydrophobicContact CG-CE1 4.1Å; W88-F267 HydrophobicContact CG-CZ 4.49Å; M243-F267 HydrophobicContact CE-CD2 3.99Å; M243-F267 HydrophobicContact CE-CE2 3.97Å; M243-F267 HydrophobicContact CG-CE2 4.48Å; T265-F267 HydrophobicContact CG2-CD1 4.12Å; T265-F267 HydrophobicContact CG2-CE1 3.39Å; T265-F267 HydrophobicContact CG2-CZ 3.71Å; F267-Q273 CarbonylContact O-C 3.49Å; F267-Q273 VanDerWaalsContact O-CA 3.3Å; F267-Q273 WeakPolarHBondContact O-CA 3.49Å; F267-R274 HydrophobicContact CB-CB 4.3Å; F267-R274 HydrophobicContact CD2-CB 4.28Å; F267-R274 PolarHBondContact N-O 2.94Å; F267-R274 PolarHBondContact O-N 3.47Å; F267-A276 HydrophobicContact CD2-CB 4.48Å; F267-A276 HydrophobicContact CE1-CB 4.5Å; F267-A276 HydrophobicContact CE2-CB 3.44Å; F267-A276 VanDerWaalsContact CE2-CB 3.44Å; F267-A276 HydrophobicContact CZ-CB 3.43Å; F267-A276 VanDerWaalsContact CZ-CB 3.43Å
268S90.4Very high88.1Confident4 Ų440.7 Ų40.73%0.02822%0.223CC..EExtended strand (participates in β ladder)trans-131121.2-174.1-73.50000110.4M7 N84 Q273M7-S268 WeakPolarHBondContact CA-O 3.39Å; M7-S268 WeakPolarHBondContact CG-O 3.46Å; M7-S268 PolarHBondContact N-O 3.45Å; N84-S268 PolarHBondContact ND2-O 3.07Å; S268-Q273 PolarHBondContact OG-NE2 3.04Å; S268-Q273 VanDerWaalsContact OG-NE2 3.13Å
269Q87.6Confident89Confident27 Ų2733.2 Ų33.213%0.12620%0.195CC..EExtended strand (participates in β ladder)trans-156137.1176.461.6-76-16.900111.2M7 N84 K271 T272M7-Q269 HydrophobicContact CE-CB 3.44Å; M7-Q269 VanDerWaalsContact CE-CB 3.44Å; M7-Q269 HydrophobicContact CG-CB 4.12Å; N84-Q269 PolarHBondContact ND2-OE1 2.84Å; Q269-K271 PolarHBondContact O-N 3.48Å; Q269-T272 PolarHBondContact N-O 3.18Å; Q269-T272 VanDerWaalsContact N-O 3.1Å; Q269-T272 PolarHBondContact O-N 3.07Å
270G87.5Confident90.3Very high25 Ų2528.1 Ų28.126%0.25816%0.159SC..THydrogen-bonded Turntrans56.4-123-176.800000110.6T2 F3 N4T2-G270 CarbonylContact C-O 3.58Å; T2-G270 VanDerWaalsContact CA-O 3.25Å; T2-G270 WeakPolarHBondContact CA-O 3.48Å; F3-G270 WeakPolarHBondContact CD2-O 3.26Å; F3-G270 PolarHBondContact N-O 2.81Å; N4-G270 WeakPolarHBondContact OD1-CA 3.26Å; N4-G270 PolarHBondContact OD1-N 2.85Å
271K86.3Confident91.4Very high117 Ų11729.7 Ų29.751%0.50916%0.163SC..THydrogen-bonded Turntrans-102.52.9173.5-65.8175.8175.5178.50113H203 Q269H203-K271 WeakPolarHBondContact CD2-CD 3.46Å; H203-K271 PolarHBondContact CE1-NZ 2.96Å; H203-K271 VanDerWaalsContact NE2-CD 3.35Å; H203-K271 WeakPolarHBondContact NE2-CD 3.48Å; H203-K271 PolarHBondContact NE2-NZ 3.23Å; Q269-K271 PolarHBondContact O-N 3.48Å
272T87.7Confident92.3Very high60 Ų6028.2 Ų28.237%0.36815%0.145SC..EExtended strand (participates in β ladder)trans-101.6128.9-172.6-56.90000109.7Q269 R274Q269-T272 PolarHBondContact N-O 3.18Å; Q269-T272 VanDerWaalsContact N-O 3.1Å; Q269-T272 PolarHBondContact O-N 3.07Å; T272-R274 HydrophobicContact CG2-CG 4.42Å; T272-R274 VanDerWaalsContact CG2-NH1 3.3Å
273Q91.7Very high92.5Very high69 Ų6936.6 Ų36.632%0.32218%0.179SC..EExtended strand (participates in β ladder)trans-112.7144.9165.8-63.2-170.3-6500109.9F3 T266 F267 S268 W275F3-Q273 HydrophobicContact CD2-CG 3.8Å; F3-Q273 HydrophobicContact CE2-CG 3.81Å; F3-Q273 HydrophobicContact CG-CG 4.28Å; F3-Q273 HydrophobicContact CZ-CG 4.3Å; T266-Q273 HydrophobicContact CG2-CB 4.46Å; F267-Q273 CarbonylContact O-C 3.49Å; F267-Q273 VanDerWaalsContact O-CA 3.3Å; F267-Q273 WeakPolarHBondContact O-CA 3.49Å; S268-Q273 PolarHBondContact OG-NE2 3.04Å; S268-Q273 VanDerWaalsContact OG-NE2 3.13Å; Q273-W275 HydrophobicContact CB-CH2 4.46Å; Q273-W275 HydrophobicContact CB-CZ2 4.47Å
274R94.3Very high92.6Very high69 Ų6942.7 Ų42.726%0.2621%0.211SC..EExtended strand (participates in β ladder)trans-134.1161.7171.7-63.9-68.8-179.8-1007.3107.9M243 G245 T266 F267 T272M243-R274 HydrophobicContact CG-CB 4.15Å; M243-R274 HydrophobicContact SD-CB 3.91Å; M243-R274 HydrophobicContact SD-CG 3.92Å; G245-R274 VanDerWaalsContact CA-CD 3.49Å; G245-R274 PolarHBondContact O-NH1 3.22Å; T266-R274 CarbonylContact C-O 3.43Å; T266-R274 WeakPolarHBondContact CA-O 3.42Å; F267-R274 HydrophobicContact CB-CB 4.3Å; F267-R274 HydrophobicContact CD2-CB 4.28Å; F267-R274 PolarHBondContact N-O 2.94Å; F267-R274 PolarHBondContact O-N 3.47Å; T272-R274 HydrophobicContact CG2-CG 4.42Å; T272-R274 VanDerWaalsContact CG2-NH1 3.3Å
275W95.6Very high92.7Very high25 Ų2542.8 Ų42.810%0.09521%0.213CC..EExtended strand (participates in β ladder)trans-118.1164172.8-57.7-91.2000109.3M243 L244 K247 L250 L264 T265 T266 Q273M243-W275 CarbonylContact C-O 3.55Å; M243-W275 WeakPolarHBondContact CA-O 3.39Å; M243-W275 VanDerWaalsContact CG-O 3.28Å; M243-W275 WeakPolarHBondContact CG-O 3.42Å; L244-W275 HydrophobicContact CB-CB 4.24Å; L244-W275 PolarHBondContact N-O 3.3Å; L244-W275 PolarHBondContact O-N 3.14Å; K247-W275 HydrophobicContact CB-CE3 4.47Å; K247-W275 HydrophobicContact CB-CH2 3.4Å; K247-W275 HydrophobicContact CB-CZ2 3.71Å; K247-W275 HydrophobicContact CB-CZ3 3.82Å; K247-W275 HydrophobicContact CD-CH2 4.32Å; K247-W275 HydrophobicContact CD-CZ2 3.91Å; K247-W275 HydrophobicContact CG-CH2 3.9Å; K247-W275 HydrophobicContact CG-CZ2 3.63Å; L250-W275 HydrophobicContact CD1-CD2 3.94Å; L250-W275 HydrophobicContact CD1-CG 3.81Å; L250-W275 HydrophobicContact CD2-CB 3.75Å; L250-W275 HydrophobicContact CD2-CG 3.88Å; L250-W275 HydrophobicContact CG-CB 4.42Å; L250-W275 HydrophobicContact CG-CD2 4.4Å; L250-W275 HydrophobicContact CG-CG 4.14Å; L264-W275 HydrophobicContact CD1-CB 4.3Å; T265-W275 VanDerWaalsContact O-CA 3.3Å; T265-W275 WeakPolarHBondContact O-CA 3.37Å; T266-W275 VanDerWaalsContact OG1-CD1 3.29Å; T266-W275 PolarHBondContact OG1-NE1 3.47Å; Q273-W275 HydrophobicContact CB-CH2 4.46Å; Q273-W275 HydrophobicContact CB-CZ2 4.47Å
276A96.3Very high92.7Very high0 Ų048.2 Ų48.20%023%0.234CC..EExtended strand (participates in β ladder)trans-143.7142165.900000109.9Y85 W88 S242 L264 T265 F267Y85-A276 HydrophobicContact CE2-CB 4.2Å; W88-A276 HydrophobicContact CE3-CB 4.16Å; W88-A276 HydrophobicContact CH2-CB 4.08Å; W88-A276 HydrophobicContact CZ3-CB 3.63Å; S242-A276 VanDerWaalsContact O-CA 3.28Å; S242-A276 WeakPolarHBondContact O-CA 3.28Å; L264-A276 WeakPolarHBondContact CA-O 3.36Å; L264-A276 WeakPolarHBondContact CD1-O 3.43Å; T265-A276 HydrophobicContact CG2-CB 3.99Å; T265-A276 PolarHBondContact N-O 3.16Å; T265-A276 PolarHBondContact O-N 3.06Å; T265-A276 VanDerWaalsContact O-N 3.11Å; F267-A276 HydrophobicContact CD2-CB 4.48Å; F267-A276 HydrophobicContact CE1-CB 4.5Å; F267-A276 HydrophobicContact CE2-CB 3.44Å; F267-A276 VanDerWaalsContact CE2-CB 3.44Å; F267-A276 HydrophobicContact CZ-CB 3.43Å; F267-A276 VanDerWaalsContact CZ-CB 3.43Å
277V95.8Very high92.5Very high0 Ų047.5 Ų47.50%023%0.228CC..EExtended strand (participates in β ladder)trans-107.4143.4173.8-68.10000108.9T241 S242 L244 V253 M254 L257 S263 L264 W279T241-V277 CarbonylContact C-O 3.51Å; T241-V277 WeakPolarHBondContact CA-O 3.49Å; T241-V277 WeakPolarHBondContact CB-O 3.36Å; S242-V277 PolarHBondContact N-O 2.98Å; S242-V277 PolarHBondContact O-N 3.46Å; L244-V277 HydrophobicContact CD1-CG1 4.08Å; V253-V277 HydrophobicContact CG1-CG1 4.38Å; V253-V277 HydrophobicContact CG1-CG2 4.06Å; M254-V277 HydrophobicContact SD-CG1 3.91Å; L257-V277 HydrophobicContact CD1-CB 4.28Å; L257-V277 HydrophobicContact CD1-CG2 4.35Å; S263-V277 CarbonylContact O-C 3.57Å; S263-V277 WeakPolarHBondContact O-CA 3.14Å; L264-V277 HydrophobicContact CD1-CG1 3.85Å; V277-W279 HydrophobicContact CG2-CE3 4.28Å; V277-W279 HydrophobicContact CG2-CZ3 4.01Å
278A96.6Very high91.6Very high0 Ų055.3 Ų55.30%026%0.257CS..EExtended strand (participates in β ladder)trans-125.1141.216700000108.9W88 L92 I239 Y240 T241 V262 S263 L287W88-A278 HydrophobicContact CH2-CB 3.54Å; W88-A278 HydrophobicContact CZ2-CB 4.05Å; W88-A278 HydrophobicContact CZ3-CB 4.42Å; L92-A278 HydrophobicContact CD1-CB 4.13Å; I239-A278 HydrophobicContact CG2-CB 4.17Å; Y240-A278 CarbonylContact O-C 3.6Å; Y240-A278 WeakPolarHBondContact O-CA 3.44Å; T241-A278 HydrophobicContact CG2-CB 3.73Å; V262-A278 CarbonylContact C-O 3.44Å; V262-A278 VanDerWaalsContact CA-O 3.25Å; V262-A278 WeakPolarHBondContact CA-O 3.4Å; V262-A278 WeakPolarHBondContact CG1-O 3.35Å; S263-A278 PolarHBondContact N-O 3.24Å; S263-A278 PolarHBondContact O-N 3.42Å; A278-L287 HydrophobicContact CB-CD1 4.44Å; A278-L287 HydrophobicContact CB-CD2 4.37Å
279W96.3Very high90.2Very high0 Ų058.3 Ų58.30%028%0.276CS..EExtended strand (participates in β ladder)trans-141.4162.41736999.6000111.2W179 I227 S230 Y240 L257 G261 V262 V277W179-W279 HydrophobicContact CZ2-CH2 4.31Å; W179-W279 AromaticContact CZ2-CZ2 3.9Å; W179-W279 HydrophobicContact CZ2-CZ2 3.9Å; W179-W279 AromaticContact NE1-CH2 3.91Å; I227-W279 HydrophobicContact CB-CZ2 4.4Å; I227-W279 HydrophobicContact CG1-CH2 3.97Å; I227-W279 HydrophobicContact CG1-CZ2 3.69Å; S230-W279 PolarHBondContact OG-NE1 3.25Å; Y240-W279 AromaticContact CD2-NE1 3.92Å; Y240-W279 AromaticContact CG-CE2 3.95Å; Y240-W279 HydrophobicContact CG-CZ2 4.27Å; Y240-W279 AromaticContact CG-NE1 3.7Å; Y240-W279 PolarHBondContact N-O 2.92Å; Y240-W279 PolarHBondContact O-N 2.84Å; L257-W279 HydrophobicContact CD1-CB 4.49Å; L257-W279 HydrophobicContact CD1-CD2 4.4Å; L257-W279 HydrophobicContact CD1-CE3 4.09Å; L257-W279 HydrophobicContact CD2-CB 3.86Å; L257-W279 HydrophobicContact CD2-CD2 3.62Å; L257-W279 HydrophobicContact CD2-CE3 4.12Å; L257-W279 HydrophobicContact CD2-CG 3.5Å; G261-W279 WeakPolarHBondContact O-CA 3.26Å; G261-W279 WeakPolarHBondContact O-CB 3.43Å; V262-W279 HydrophobicContact CG2-CB 4.39Å; V277-W279 HydrophobicContact CG2-CE3 4.28Å; V277-W279 HydrophobicContact CG2-CZ3 4.01Å
280T95.6Very high88.7Confident10 Ų1061 Ų616%0.06129%0.291CS..EExtended strand (participates in β ladder)trans-149.4152.4-178.3-1750000111.2R238 G261 D282 V285 L287R238-T280 WeakPolarHBondContact O-CB 3.21Å; R238-T280 PolarHBondContact O-OG1 2.84Å; G261-T280 PolarHBondContact O-N 3.42Å; T280-D282 WeakPolarHBondContact OG1-CB 3.48Å; T280-D282 PolarHBondContact OG1-N 3.35Å; T280-V285 HydrophobicContact CG2-CB 3.97Å; T280-V285 HydrophobicContact CG2-CG1 3.86Å; T280-L287 HydrophobicContact CG2-CD1 3.73Å; T280-L287 HydrophobicContact CG2-CG 4.07Å
281F93.4Very high86.7Confident60 Ų6066.8 Ų66.826%0.26331%0.309SS..SBendtrans-103.4-5.2166-56.7-75.3000112.1S230 V231 N234 Y240S230-F281 WeakPolarHBondContact O-CE2 3.29Å; S230-F281 WeakPolarHBondContact OG-CE2 3.35Å; V231-F281 HydrophobicContact CB-CZ 4.48Å; V231-F281 HydrophobicContact CG2-CE1 4.35Å; V231-F281 HydrophobicContact CG2-CZ 3.88Å; N234-F281 WeakPolarHBondContact OD1-CB 3.48Å; Y240-F281 HydrophobicContact CD2-CD2 4.06Å; Y240-F281 HydrophobicContact CD2-CE2 4.02Å; Y240-F281 AromaticContact CE2-CD2 3.49Å; Y240-F281 HydrophobicContact CE2-CD2 3.49Å; Y240-F281 VanDerWaalsContact CE2-CD2 3.49Å; Y240-F281 AromaticContact CE2-CE2 3.67Å; Y240-F281 HydrophobicContact CE2-CE2 3.67Å
282D92.9Very high84.9Confident11 Ų1169.6 Ų69.66%0.05932%0.321CS..  trans-81.1122.1176-173.6-6.1000110.5M235 R238 T280 D284 V285M235-D282 HydrophobicContact CE-CB 3.72Å; M235-D282 HydrophobicContact SD-CB 3.78Å; R238-D282 IonicContact CZ-OD2 3.56Å; R238-D282 IonicContact NE-OD2 3.81Å; R238-D282 PolarHBondContact NE-OD2 3.43Å; R238-D282 IonicContact NH2-OD2 2.68Å; R238-D282 PolarHBondContact NH2-OD2 3.37Å; T280-D282 WeakPolarHBondContact OG1-CB 3.48Å; T280-D282 PolarHBondContact OG1-N 3.35Å; D282-D284 VanDerWaalsContact C-N 3.27Å; D282-D284 PolarHBondContact O-N 2.93Å; D282-D284 PolarHBondContact OD1-N 2.97Å; D282-V285 HydrophobicContact CB-CB 4.19Å; D282-V285 HydrophobicContact CB-CG2 3.75Å; D282-V285 PolarHBondContact O-N 3.17Å; D282-V285 WeakPolarHBondContact OD2-CG2 3.49Å
283K91.3Very high83.2Confident199 Ų19968 Ų6887%0.86531%0.311SS*.THydrogen-bonded Turntrans-73.7-19.7-179.2-63.1-179.6-177.2175.30112.9
284D92.6Very high81.2Confident133 Ų13367.6 Ų67.671%0.71131%0.31SS*.THydrogen-bonded Turntrans-85.6-14.6179.7-61.5-35.2000112.1D282D282-D284 VanDerWaalsContact C-N 3.27Å; D282-D284 PolarHBondContact O-N 2.93Å; D282-D284 PolarHBondContact OD1-N 2.97Å
285V94Very high78.9Confident14 Ų1471.1 Ų71.19%0.08533%0.327CS..  trans-78.7126.6176.5170.50000111.2N96 F97 I239 T280 D282 L287N96-V285 WeakPolarHBondContact OD1-CA 3.36Å; F97-V285 HydrophobicContact CE1-CG2 4.03Å; F97-V285 HydrophobicContact CZ-CG2 3.57Å; I239-V285 HydrophobicContact CD1-CG1 3.58Å; I239-V285 HydrophobicContact CD1-CG2 4.44Å; I239-V285 HydrophobicContact CG1-CG1 3.81Å; I239-V285 HydrophobicContact CG1-CG2 4.22Å; T280-V285 HydrophobicContact CG2-CB 3.97Å; T280-V285 HydrophobicContact CG2-CG1 3.86Å; D282-V285 HydrophobicContact CB-CB 4.19Å; D282-V285 HydrophobicContact CB-CG2 3.75Å; D282-V285 PolarHBondContact O-N 3.17Å; D282-V285 WeakPolarHBondContact OD2-CG2 3.49Å; V285-L287 HydrophobicContact CG1-CD2 3.91Å; V285-L287 HydrophobicContact CG1-CG 3.97Å
286K91.7Very high76.7Confident141 Ų14174 Ų7461%0.61334%0.344SS*.  trans-93.8105.4173.2-61.4175.5-172.2169.60110N96N96-K286 PolarHBondContact ND2-O 3.28Å; N96-K286 PolarHBondContact OD1-N 3.22Å; N96-K286 PolarHBondContact OD1-O 2.8Å
287L90.9Very high74.5Confident25 Ų2575.1 Ų75.113%0.13135%0.35CS..  trans-98.5112.3167.9-65.3-173.6000109.7L92 I239 G261 A278 T280 V285 V289L92-L287 HydrophobicContact CD2-CD2 4.04Å; I239-L287 HydrophobicContact CD1-CD2 4.21Å; I239-L287 HydrophobicContact CG2-CD2 4.28Å; G261-L287 WeakPolarHBondContact O-CD1 3.45Å; A278-L287 HydrophobicContact CB-CD1 4.44Å; A278-L287 HydrophobicContact CB-CD2 4.37Å; T280-L287 HydrophobicContact CG2-CD1 3.73Å; T280-L287 HydrophobicContact CG2-CG 4.07Å; V285-L287 HydrophobicContact CG1-CD2 3.91Å; V285-L287 HydrophobicContact CG1-CG 3.97Å; L287-V289 PolarHBondContact O-N 3.44Å
288R74.3Confident72.2Confident172 Ų17279.1 Ų79.165%0.64937%0.37SS*.  trans-68120.8174.8-64.9-174.3-173.6-170.42.3110.3E95 S263 N290E95-R288 VanDerWaalsContact CD-NE 3.32Å; E95-R288 IonicContact OE1-CZ 3.22Å; E95-R288 VanDerWaalsContact OE1-CZ 3.22Å; E95-R288 IonicContact OE1-NE 2.76Å; E95-R288 PolarHBondContact OE1-NE 2.95Å; E95-R288 IonicContact OE1-NH2 2.82Å; E95-R288 PolarHBondContact OE1-NH2 3.17Å; E95-R288 IonicContact OE2-CZ 3.73Å; E95-R288 IonicContact OE2-NE 3.08Å; E95-R288 PolarHBondContact OE2-NE 2.75Å; E95-R288 VanDerWaalsContact OE2-NE 3.08Å; E95-R288 IonicContact OE2-NH2 3.8Å; S263-R288 WeakPolarHBondContact CB-O 3.33Å; S263-R288 PolarHBondContact OG-O 3.33Å; R288-N290 PolarHBondContact O-N 2.9Å
289V62.8Low70Confident68 Ų6882 Ų8241%0.41239%0.388SS..  trans-77.7111.2169.7-176.70000108.4L287 F291L287-V289 PolarHBondContact O-N 3.44Å; V289-F291 HydrophobicContact CB-CE2 4.19Å; V289-F291 HydrophobicContact CB-CZ 4.24Å; V289-F291 HydrophobicContact CG1-CD1 4.21Å; V289-F291 HydrophobicContact CG1-CD2 4.48Å; V289-F291 HydrophobicContact CG1-CE1 4.12Å; V289-F291 HydrophobicContact CG1-CE2 4.4Å; V289-F291 HydrophobicContact CG1-CG 4.38Å; V289-F291 HydrophobicContact CG1-CZ 4.22Å; V289-F291 WeakPolarHBondContact O-CD2 3.39Å; V289-F291 PolarHBondContact O-N 3.3Å
290N56.1Low67.6Low84 Ų8488.6 Ų88.645%0.44942%0.417SS..  trans-8089.4172-157.7-25.8000109.8R288 K292 I293R288-N290 PolarHBondContact O-N 2.9Å; N290-K292 PolarHBondContact O-N 3.36Å; N290-I293 PolarHBondContact O-N 3.33Å; N290-I293 VanDerWaalsContact O-N 3.16Å
291F45Very low65.3Low146 Ų14694.4 Ų94.464%0.6444%0.438SS*.Hα-helixtrans-55.6-21.3-174.5-72.5-80.6000114.7V289 I293 L294 F295V289-F291 HydrophobicContact CB-CE2 4.19Å; V289-F291 HydrophobicContact CB-CZ 4.24Å; V289-F291 HydrophobicContact CG1-CD1 4.21Å; V289-F291 HydrophobicContact CG1-CD2 4.48Å; V289-F291 HydrophobicContact CG1-CE1 4.12Å; V289-F291 HydrophobicContact CG1-CE2 4.4Å; V289-F291 HydrophobicContact CG1-CG 4.38Å; V289-F291 HydrophobicContact CG1-CZ 4.22Å; V289-F291 WeakPolarHBondContact O-CD2 3.39Å; V289-F291 PolarHBondContact O-N 3.3Å; F291-I293 PolarHBondContact O-N 2.86Å; F291-L294 HydrophobicContact CD1-CD2 4.27Å; F291-L294 PolarHBondContact O-N 3.1Å; F291-F295 PolarHBondContact O-N 3.3Å
292K48.2Very low63Low175 Ų17595.8 Ų95.876%0.76145%0.451SS*.Hα-helixtrans-60.3-32.3177.6-75.3-172.4176.5-179.90113N290N290-K292 PolarHBondContact O-N 3.36Å
293I52.1Low60.7Low28 Ų28105 Ų10514%0.14449%0.485CS..Hα-helixtrans-84.7-34.1179.3-54.4171.2000110.7L264 N290 F291 F295 L296 I297L264-I293 HydrophobicContact CD2-CB 3.87Å; L264-I293 HydrophobicContact CD2-CD1 4.43Å; L264-I293 HydrophobicContact CD2-CG2 3.26Å; L264-I293 HydrophobicContact CG-CB 4.29Å; L264-I293 HydrophobicContact CG-CD1 3.92Å; L264-I293 HydrophobicContact CG-CG2 3.95Å; N290-I293 PolarHBondContact O-N 3.33Å; N290-I293 VanDerWaalsContact O-N 3.16Å; F291-I293 PolarHBondContact O-N 2.86Å; I293-F295 VanDerWaalsContact C-N 3.28Å; I293-F295 PolarHBondContact O-N 3.06Å; I293-L296 PolarHBondContact O-N 3.03Å; I293-I297 PolarHBondContact O-N 2.89Å
294L48.8Very low58.6Low60 Ų6099.7 Ų99.731%0.31448%0.478SS..Hα-helixtrans-62.3-37.3176.1-156.975000111.6F291 L296 I297 I298F291-L294 HydrophobicContact CD1-CD2 4.27Å; F291-L294 PolarHBondContact O-N 3.1Å; L294-L296 VanDerWaalsContact C-N 3.32Å; L294-L296 PolarHBondContact O-N 3.17Å; L294-I297 WeakPolarHBondContact O-CB 3.29Å; L294-I297 PolarHBondContact O-N 2.86Å; L294-I297 VanDerWaalsContact O-N 3.13Å; L294-I298 HydrophobicContact CD2-CD1 4.36Å; L294-I298 HydrophobicContact CG-CD1 4.19Å; L294-I298 WeakPolarHBondContact O-CG1 3.14Å; L294-I298 PolarHBondContact O-N 3.05Å
295F46.1Very low56.5Low142 Ų14299.8 Ų99.862%0.62348%0.478SS*.Hα-helixtrans-63.1-36.7177.1-138-91.4000112.5F291 I293 I297 I298 V299F291-F295 PolarHBondContact O-N 3.3Å; I293-F295 VanDerWaalsContact C-N 3.28Å; I293-F295 PolarHBondContact O-N 3.06Å; F295-I297 VanDerWaalsContact C-N 3.31Å; F295-I297 PolarHBondContact O-N 3.36Å; F295-I298 PolarHBondContact O-N 3.36Å; F295-V299 HydrophobicContact CD1-CG2 3.71Å; F295-V299 HydrophobicContact CE1-CG2 3.93Å; F295-V299 WeakPolarHBondContact O-CB 3.43Å; F295-V299 VanDerWaalsContact O-CG2 3.25Å; F295-V299 WeakPolarHBondContact O-CG2 3.26Å; F295-V299 PolarHBondContact O-N 3.43Å
296L49.1Very low53.6Low86 Ų86106.7 Ų106.745%0.4551%0.507SS..Hα-helixtrans-62.9-41.2174.3-120.698.9000111I293 L294 I298 V299 F300I293-L296 PolarHBondContact O-N 3.03Å; L294-L296 VanDerWaalsContact C-N 3.32Å; L294-L296 PolarHBondContact O-N 3.17Å; L296-I298 VanDerWaalsContact C-N 3.32Å; L296-I298 PolarHBondContact O-N 3Å; L296-V299 PolarHBondContact O-N 3.06Å; L296-F300 HydrophobicContact CD2-CE2 4.28Å; L296-F300 WeakPolarHBondContact O-CD2 3.32Å; L296-F300 PolarHBondContact O-N 3.11Å
297I51Low51Low23 Ų23105.4 Ų105.412%0.11851%0.513CS..Hα-helixtrans-67-35.1178.8-64.6173.9000111.2M254 L264 I293 L294 F295M254-I297 HydrophobicContact CG-CD1 4.42Å; L264-I297 HydrophobicContact CD2-CD1 4.37Å; I293-I297 PolarHBondContact O-N 2.89Å; L294-I297 WeakPolarHBondContact O-CB 3.29Å; L294-I297 PolarHBondContact O-N 2.86Å; L294-I297 VanDerWaalsContact O-N 3.13Å; F295-I297 VanDerWaalsContact C-N 3.31Å; F295-I297 PolarHBondContact O-N 3.36Å
298I48.4Very low48.5Very low84 Ų84112.8 Ų112.843%0.43155%0.552SS.*Hα-helixtrans-75.3-38.6178-66167.2000111.7L294 F295 L296 F300 R301L294-I298 HydrophobicContact CD2-CD1 4.36Å; L294-I298 HydrophobicContact CG-CD1 4.19Å; L294-I298 WeakPolarHBondContact O-CG1 3.14Å; L294-I298 PolarHBondContact O-N 3.05Å; F295-I298 PolarHBondContact O-N 3.36Å; L296-I298 VanDerWaalsContact C-N 3.32Å; L296-I298 PolarHBondContact O-N 3Å; I298-F300 VanDerWaalsContact C-N 3.29Å; I298-F300 PolarHBondContact O-N 3.24Å; I298-R301 VanDerWaalsContact O-CB 3.29Å; I298-R301 WeakPolarHBondContact O-CB 3.49Å; I298-R301 PolarHBondContact O-N 3.35Å
299V48.8Very low46.8Very low62 Ų62115.5 Ų115.538%0.37656%0.562SS.*Hα-helixtrans-68-27.5-179.6172.10000112.5F295 L296 R301 T302 R303F295-V299 HydrophobicContact CD1-CG2 3.71Å; F295-V299 HydrophobicContact CE1-CG2 3.93Å; F295-V299 WeakPolarHBondContact O-CB 3.43Å; F295-V299 VanDerWaalsContact O-CG2 3.25Å; F295-V299 WeakPolarHBondContact O-CG2 3.26Å; F295-V299 PolarHBondContact O-N 3.43Å; L296-V299 PolarHBondContact O-N 3.06Å; V299-R301 VanDerWaalsContact C-N 3.28Å; V299-R301 PolarHBondContact O-N 3.17Å; V299-T302 PolarHBondContact O-N 2.95Å; V299-T302 PolarHBondContact O-OG1 3.03Å; V299-T302 VanDerWaalsContact O-OG1 3.05Å; V299-R303 PolarHBondContact O-N 3.29Å
300F46.4Very low45.6Very low137 Ų137115.4 Ų115.460%0.60158%0.575SS**Hα-helixtrans-69.2-25.3170.9-81.3-72.9000113.1L296 I298 A304L296-F300 HydrophobicContact CD2-CE2 4.28Å; L296-F300 WeakPolarHBondContact O-CD2 3.32Å; L296-F300 PolarHBondContact O-N 3.11Å; I298-F300 VanDerWaalsContact C-N 3.29Å; I298-F300 PolarHBondContact O-N 3.24Å; F300-A304 WeakPolarHBondContact O-CB 3.46Å; F300-A304 PolarHBondContact O-N 3.39Å
301R47.5Very low44.7Very low133 Ų133122.3 Ų122.350%0.50260%0.597SS.*Hα-helixtrans-68.2-35.5174.8-97.1-179.5165.7-166.4-8.2112.7I298 V299 L305I298-R301 VanDerWaalsContact O-CB 3.29Å; I298-R301 WeakPolarHBondContact O-CB 3.49Å; I298-R301 PolarHBondContact O-N 3.35Å; V299-R301 VanDerWaalsContact C-N 3.28Å; V299-R301 PolarHBondContact O-N 3.17Å; R301-L305 WeakPolarHBondContact O-CD1 3.39Å; R301-L305 WeakPolarHBondContact O-CG 3.27Å; R301-L305 PolarHBondContact O-N 3.06Å
302T44.6Very low44.2Very low88 Ų88122.9 Ų122.954%0.5461%0.605SS.*Hα-helixtrans-78.6-30.1-179.150.50000112.8V299V299-T302 PolarHBondContact O-N 2.95Å; V299-T302 PolarHBondContact O-OG1 3.03Å; V299-T302 VanDerWaalsContact O-OG1 3.05Å
303R44.5Very low43.9Very low206 Ų206122.4 Ų122.478%0.77761%0.61SS**Hα-helixtrans-79.5-25.9175.9-78.5-172.9173-172.8-2114.8V299V299-R303 PolarHBondContact O-N 3.29Å
304A48.2Very low43.6Very low86 Ų86132.6 Ų132.671%0.71166%0.664SS**Hα-helixtrans-83-19.6176.700000113.4F300F300-A304 WeakPolarHBondContact O-CB 3.46Å; F300-A304 PolarHBondContact O-N 3.39Å
305L47.5Very low43.3Very low136 Ų136136.2 Ų136.271%0.71268%0.681SS**Hα-helixtrans-97.1-7.9-180-72.3168000114.1R301R301-L305 WeakPolarHBondContact O-CD1 3.39Å; R301-L305 WeakPolarHBondContact O-CG 3.27Å; R301-L305 PolarHBondContact O-N 3.06Å
306F34.4Very low43.2Very low159 Ų159135.9 Ų135.970%0.69768%0.684SS**  trans-130.597.8174-85.1-88.2000110.4L308F306-L308 PolarHBondContact O-N 2.71Å
307P36.6Very low42.9Very low114 Ų114138.7 Ų138.774%0.7470%0.697SS**  trans-65.7114.8156.727.1-24.8000106.2R309P307-R309 PolarHBondContact O-N 2.68Å
308L39.1Very low42.4Very low180 Ų180145.5 Ų145.594%0.94273%0.731SS**  trans-58.790.6171.4-83155.8000108.3F306 G310F306-L308 PolarHBondContact O-N 2.71Å; L308-G310 PolarHBondContact O-N 2.77Å
309R38.6Very low42Very low228 Ų228149.3 Ų149.386%0.8675%0.75SS**  trans-68119.5157.6-105.3-179.9172.9179.3-2.5106.4P307P307-R309 PolarHBondContact O-N 2.68Å
310G36.8Very low41.5Very low67 Ų67155.1 Ų155.169%0.69178%0.775SS**  trans-57.3140.5173.300000111.2L308L308-G310 PolarHBondContact O-N 2.77Å
311Y38.3Very low41.2Very low229 Ų229156.4 Ų156.490%0.89879%0.787SS**  trans-130.3120.5142.8-96-86.9000107.5
312L33.3Very low40.7Very low157 Ų157158.2 Ų158.282%0.82281%0.809SS**  trans-52.3142.9166.6-153.582.2000110
313L41.4Very low40.4Very low166 Ų166164.1 Ų164.187%0.86983%0.832SS**  trans-160.1116.9149-104.2157.3000108.6
314L46.2Very low40Very low241 Ų241160.3 Ų160.3100%1.26284%0.837SS**  trans83.10-176.6-59.5170.5000116.9

Retrieved 314 of 314 residues in 663.4 ms (Link to these results)

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