A0A077ZKG0_TRITR Loading...

MgsA C and AAA domain containing protein

Functions as a modulator for initiation or reinitiation events during DNA polymerase delta-mediated DNA synthesis. Has an intrinsic ATPase activity that functions as a sensor of DNA damage or of arrested replication forks and regulates the extent of DNA synthesis.

AlphaFold DB , UniProt , Accession A0A077ZKG0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 428 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
1M92.6Very high93.5Very high47 Ų4745.5 Ų45.523%0.23224%0.244CC..  0180-64.9-44.9-55.300117.9P3 Q157 A158 D161 R164 G165 L193M1-P3 WeakPolarHBondContact O-CD 3.33Å; M1-Q157 HydrophobicContact CE-CG 3.99Å; M1-Q157 WeakPolarHBondContact CE-O 3.22Å; M1-A158 HydrophobicContact CE-CB 3.89Å; M1-A158 HydrophobicContact CG-CB 3.75Å; M1-A158 HydrophobicContact SD-CB 3.99Å; M1-D161 HydrophobicContact CE-CB 4.11Å; M1-D161 HydrophobicContact SD-CB 4.1Å; M1-R164 PolarHBondContact N-O 3Å; M1-R164 HydrophobicContact SD-CB 4.14Å; M1-G165 WeakPolarHBondContact SD-CA 3.23Å; M1-L193 HydrophobicContact CB-CD1 3.85Å; M1-L193 HydrophobicContact CB-CD2 4Å; M1-L193 HydrophobicContact CG-CD2 4.07Å
2R91.6Very high93.6Very high107 Ų10742.4 Ų42.440%0.40423%0.227SC..  trans-79122.8177.1-171.9174.4-63.3-144.2-2.3111.1T46 E49 R164R2-T46 HydrophobicContact CG-CG2 3.91Å; R2-E49 WeakPolarHBondContact CD-OE2 3.43Å; R2-E49 IonicContact CZ-OE1 3.94Å; R2-E49 IonicContact NE-OE2 3.92Å; R2-E49 VanDerWaalsContact NH1-CD 3.3Å; R2-E49 IonicContact NH1-OE1 2.86Å; R2-E49 PolarHBondContact NH1-OE1 3.09Å; R2-E49 IonicContact NH1-OE2 3.78Å; R2-R164 PolarHBondContact O-NH1 3.25Å
3P93.4Very high93.5Very high18 Ų1847.6 Ų47.612%0.11725%0.249CC..  trans-50.6137.5177.6-30.233.3000114.1M1 Q8 Y9 T46M1-P3 WeakPolarHBondContact O-CD 3.33Å; P3-Q8 HydrophobicContact CB-CB 3.88Å; P3-Q8 VanDerWaalsContact CG-O 3.32Å; P3-Q8 WeakPolarHBondContact CG-O 3.16Å; P3-Y9 HydrophobicContact CB-CD2 4.46Å; P3-T46 HydrophobicContact CB-CG2 3.75Å; P3-T46 VanDerWaalsContact CD-CG2 3.48Å; P3-T46 HydrophobicContact CG-CG2 3.7Å
4E92.2Very high93.4Very high84 Ų8448.9 Ų48.939%0.39325%0.253SS..  trans-104.1-20.3-177.2-65.4-171.4147.300113.8R53 R164E4-R53 WeakPolarHBondContact O-CD 3.4Å; E4-R53 IonicContact OE1-NH1 3.67Å; E4-R164 VanDerWaalsContact CG-NH1 3.31Å
5N93.7Very high93.4Very high50 Ų5047.5 Ų47.527%0.26725%0.246SC..SBendtrans-145.1172.3-179.95954.2000109.2A7 Q8 Y54N5-A7 VanDerWaalsContact C-N 3.27Å; N5-A7 PolarHBondContact O-N 2.89Å; N5-A7 WeakPolarHBondContact OD1-CB 3.4Å; N5-A7 PolarHBondContact OD1-N 3.26Å; N5-A7 VanDerWaalsContact OD1-N 3.09Å; N5-Q8 PolarHBondContact O-N 3.38Å; N5-Q8 WeakPolarHBondContact OD1-CG 3.48Å; N5-Q8 PolarHBondContact OD1-N 3.42Å; N5-Y54 HydrophobicContact CB-CE2 4.29Å
6L93.4Very high93.5Very high22 Ų2246 Ų4612%0.11524%0.238CC..G310 helixtrans-65.8-29.6-177.9-71.3177.1000112.9Q8 Y9 L16 P23 I26 E27 L47 V50 Y54L6-Q8 VanDerWaalsContact C-N 3.28Å; L6-Q8 PolarHBondContact O-N 3.11Å; L6-Y9 WeakPolarHBondContact O-CB 3.41Å; L6-Y9 PolarHBondContact O-N 3.27Å; L6-Y9 VanDerWaalsContact O-N 3.11Å; L6-L16 HydrophobicContact CD2-CD2 4.29Å; L6-P23 HydrophobicContact CD1-CB 4.19Å; L6-I26 HydrophobicContact CD1-CB 4.07Å; L6-I26 HydrophobicContact CD1-CG2 3.85Å; L6-I26 HydrophobicContact CD2-CD1 4.14Å; L6-I26 HydrophobicContact CD2-CG2 4.39Å; L6-I26 HydrophobicContact CG-CG2 4.22Å; L6-E27 HydrophobicContact CD1-CG 3.97Å; L6-L47 HydrophobicContact CD2-CD1 4.35Å; L6-V50 HydrophobicContact CD2-CG1 3.85Å; L6-V50 HydrophobicContact CG-CG1 4.03Å; L6-Y54 HydrophobicContact CD1-CE2 4.45Å; L6-Y54 HydrophobicContact CG-CE2 3.94Å; L6-Y54 PolarHBondContact N-OH 3.37Å
7A92.8Very high93.4Very high95 Ų9544.7 Ų44.779%0.78524%0.236SC*.G310 helixtrans-68.1-28.1179.500000112.9N5 Y9N5-A7 VanDerWaalsContact C-N 3.27Å; N5-A7 PolarHBondContact O-N 2.89Å; N5-A7 WeakPolarHBondContact OD1-CB 3.4Å; N5-A7 PolarHBondContact OD1-N 3.26Å; N5-A7 VanDerWaalsContact OD1-N 3.09Å; A7-Y9 VanDerWaalsContact C-N 3.34Å
8Q94.2Very high93.1Very high39 Ų3948 Ų4818%0.18227%0.27CS..G310 helixtrans-84.9-7.9174.3-66.5176.6500113.2P3 N5 L6 I10 Q157 R164P3-Q8 HydrophobicContact CB-CB 3.88Å; P3-Q8 VanDerWaalsContact CG-O 3.32Å; P3-Q8 WeakPolarHBondContact CG-O 3.16Å; N5-Q8 PolarHBondContact O-N 3.38Å; N5-Q8 WeakPolarHBondContact OD1-CG 3.48Å; N5-Q8 PolarHBondContact OD1-N 3.42Å; L6-Q8 VanDerWaalsContact C-N 3.28Å; L6-Q8 PolarHBondContact O-N 3.11Å; Q8-I10 PolarHBondContact O-N 3.45Å; Q8-Q157 PolarHBondContact O-NE2 3.31Å; Q8-Q157 PolarHBondContact O-OE1 2.91Å; Q8-R164 VanDerWaalsContact CD-NH2 3.34Å; Q8-R164 VanDerWaalsContact OE1-NH1 3.09Å
9Y95.2Very high92.9Very high14 Ų1448.6 Ų48.66%0.05529%0.288CS..  trans-87.7107.6-178.1-165.9-73.7000109.7P3 L6 A7 Q12 L16 T42 G43 T46 L47 L143P3-Y9 HydrophobicContact CB-CD2 4.46Å; L6-Y9 WeakPolarHBondContact O-CB 3.41Å; L6-Y9 PolarHBondContact O-N 3.27Å; L6-Y9 VanDerWaalsContact O-N 3.11Å; A7-Y9 VanDerWaalsContact C-N 3.34Å; Y9-Q12 HydrophobicContact CE1-CB 4.37Å; Y9-Q12 HydrophobicContact CE1-CG 3.75Å; Y9-L16 HydrophobicContact CD1-CD1 3.49Å; Y9-L16 VanDerWaalsContact CD1-CD1 3.49Å; Y9-L16 HydrophobicContact CE1-CD1 3.77Å; Y9-L16 HydrophobicContact CG-CD1 4.15Å; Y9-T42 PolarHBondContact OH-O 3.39Å; Y9-G43 VanDerWaalsContact OH-C 3.22Å; Y9-G43 VanDerWaalsContact OH-CA 3.24Å; Y9-G43 WeakPolarHBondContact OH-CA 3.44Å; Y9-G43 PolarHBondContact OH-O 3.41Å; Y9-T46 HydrophobicContact CD2-CG2 3.93Å; Y9-T46 HydrophobicContact CE2-CG2 3.96Å; Y9-L47 HydrophobicContact CE2-CB 3.74Å; Y9-L47 HydrophobicContact CE2-CD1 4.37Å; Y9-L143 WeakPolarHBondContact OH-CD2 3.29Å
10I95.5Very high92.9Very high24 Ų2450.9 Ų50.912%0.12329%0.294CS..  trans-90.4140.8-173.4-64.3162.4000111.1Q8 D150 Q153 V154 Q157Q8-I10 PolarHBondContact O-N 3.45Å; I10-D150 HydrophobicContact CG2-CB 4.02Å; I10-D150 VanDerWaalsContact CG2-O 3.27Å; I10-D150 WeakPolarHBondContact CG2-O 3.49Å; I10-Q153 HydrophobicContact CD1-CB 4.01Å; I10-Q153 HydrophobicContact CG2-CB 3.89Å; I10-V154 HydrophobicContact CB-CG2 3.83Å; I10-V154 HydrophobicContact CD1-CB 4.32Å; I10-V154 HydrophobicContact CD1-CG2 3.79Å; I10-V154 HydrophobicContact CG1-CG2 4.41Å; I10-V154 HydrophobicContact CG2-CG2 3.95Å; I10-Q157 HydrophobicContact CD1-CB 4.09Å
11G93.9Very high92.9Very high1 Ų153.2 Ų53.21%0.0131%0.311CS..SBendtrans82.1-164.8-177.500000114.8Q13 D150G11-Q13 VanDerWaalsContact C-N 3.25Å; G11-Q13 PolarHBondContact O-N 3.16Å; G11-D150 WeakPolarHBondContact CA-OD1 3.35Å
12Q94.3Very high92.9Very high8 Ų851.2 Ų51.24%0.03730%0.301CS..  trans57.629.3-179.7-45.7-57.2-27.700115Y9 H14 L15 L16 L143 K144Y9-Q12 HydrophobicContact CE1-CB 4.37Å; Y9-Q12 HydrophobicContact CE1-CG 3.75Å; Q12-H14 PolarHBondContact O-N 3.33Å; Q12-H14 PolarHBondContact OE1-CE1 3.05Å; Q12-L15 WeakPolarHBondContact O-CA 3.19Å; Q12-L15 PolarHBondContact O-N 3.03Å; Q12-L16 HydrophobicContact CB-CD1 4.13Å; Q12-L16 HydrophobicContact CB-CG 4.3Å; Q12-L16 PolarHBondContact O-N 2.85Å; Q12-L143 HydrophobicContact CG-CG 4.4Å; Q12-L143 VanDerWaalsContact OE1-CA 3.24Å; Q12-K144 PolarHBondContact NE2-O 2.97Å
13Q92.7Very high93Very high110 Ų11046.4 Ų46.451%0.51428%0.284SS..Hα-helixtrans-57.1-26.5-176.5-64.4-58.9-34.100113.6G11 L15 A17G11-Q13 VanDerWaalsContact C-N 3.25Å; G11-Q13 PolarHBondContact O-N 3.16Å; Q13-L15 PolarHBondContact O-N 3.38Å; Q13-A17 HydrophobicContact CB-CB 4.43Å; Q13-A17 WeakPolarHBondContact O-CB 3.33Å; Q13-A17 PolarHBondContact O-N 2.93Å
14H92.3Very high93Very high66 Ų6653.6 Ų53.631%0.30631%0.309SS..Hα-helixtrans-62-26.8173.861.3-73.4000113.3Q12 L142Q12-H14 PolarHBondContact O-N 3.33Å; Q12-H14 PolarHBondContact OE1-CE1 3.05Å; H14-L142 PolarHBondContact NE2-O 2.81Å
15L93.8Very high93Very high28 Ų2850.6 Ų50.615%0.14730%0.299CS..Hα-helixtrans-101.2-42.6174.6-63.8-179.3000112.5Q12 Q13 K20 L22 P23 Y141 L142Q12-L15 WeakPolarHBondContact O-CA 3.19Å; Q12-L15 PolarHBondContact O-N 3.03Å; Q13-L15 PolarHBondContact O-N 3.38Å; L15-K20 WeakPolarHBondContact O-CB 3.37Å; L15-L22 HydrophobicContact CB-CD2 4.32Å; L15-P23 WeakPolarHBondContact O-CD 3.18Å; L15-Y141 HydrophobicContact CD1-CD1 4.36Å; L15-Y141 HydrophobicContact CD2-CD1 3.93Å; L15-L142 WeakPolarHBondContact CD1-O 3.34Å
16L94.4Very high93Very high23 Ų2348.6 Ų48.612%0.1229%0.288CS..Hα-helixtrans-105.21-164.5-62-178.8000115.3L6 Y9 Q12 L22 P23 L47L6-L16 HydrophobicContact CD2-CD2 4.29Å; Y9-L16 HydrophobicContact CD1-CD1 3.49Å; Y9-L16 VanDerWaalsContact CD1-CD1 3.49Å; Y9-L16 HydrophobicContact CE1-CD1 3.77Å; Y9-L16 HydrophobicContact CG-CD1 4.15Å; Q12-L16 HydrophobicContact CB-CD1 4.13Å; Q12-L16 HydrophobicContact CB-CG 4.3Å; Q12-L16 PolarHBondContact O-N 2.85Å; L16-L22 HydrophobicContact CD2-CD2 3.89Å; L16-L22 HydrophobicContact CD2-CG 4.15Å; L16-P23 VanDerWaalsContact C-CG 3.46Å; L16-P23 VanDerWaalsContact CA-CG 3.43Å; L16-P23 HydrophobicContact CB-CG 4.27Å; L16-P23 HydrophobicContact CD2-CG 4.1Å; L16-P23 VanDerWaalsContact O-CG 3.23Å; L16-P23 WeakPolarHBondContact O-CG 3.41Å; L16-L47 HydrophobicContact CD1-CD1 4.27Å; L16-L47 HydrophobicContact CD2-CD1 4.44Å
17A92Very high93Very high24 Ų2453 Ų5320%0.19831%0.308CS..SBendtrans-61.4151175.300000112.2Q13 G19 K20Q13-A17 HydrophobicContact CB-CB 4.43Å; Q13-A17 WeakPolarHBondContact O-CB 3.33Å; Q13-A17 PolarHBondContact O-N 2.93Å; A17-G19 PolarHBondContact O-N 2.97Å; A17-K20 HydrophobicContact CB-CG 4.16Å; A17-K20 VanDerWaalsContact O-CB 3.26Å; A17-K20 WeakPolarHBondContact O-CB 3.26Å; A17-K20 VanDerWaalsContact O-CG 3.3Å; A17-K20 WeakPolarHBondContact O-CG 3.46Å; A17-K20 PolarHBondContact O-N 3.05Å; A17-K20 VanDerWaalsContact O-N 3.08Å
18A88.3Confident93Very high104 Ų10451.2 Ų51.286%0.8629%0.293SS*.THydrogen-bonded Turntrans-51.8135176.200000111.6K20A18-K20 VanDerWaalsContact C-N 3.32Å; A18-K20 PolarHBondContact O-N 3.33Å
19G88.3Confident92.9Very high59 Ų5950 Ų5061%0.60829%0.29SS*.THydrogen-bonded Turntrans86.1-12.7-178.100000115.4A17A17-G19 PolarHBondContact O-N 2.97Å
20K93.1Very high92.7Very high94 Ų9455.5 Ų55.541%0.40932%0.316SS..  trans-68.5152.2174.2-66.6-72.4-175.6174.70111.4L15 A17 A18 L22 P23 R24L15-K20 WeakPolarHBondContact O-CB 3.37Å; A17-K20 HydrophobicContact CB-CG 4.16Å; A17-K20 VanDerWaalsContact O-CB 3.26Å; A17-K20 WeakPolarHBondContact O-CB 3.26Å; A17-K20 VanDerWaalsContact O-CG 3.3Å; A17-K20 WeakPolarHBondContact O-CG 3.46Å; A17-K20 PolarHBondContact O-N 3.05Å; A17-K20 VanDerWaalsContact O-N 3.08Å; A18-K20 VanDerWaalsContact C-N 3.32Å; A18-K20 PolarHBondContact O-N 3.33Å; K20-L22 VanDerWaalsContact C-N 3.32Å; K20-L22 PolarHBondContact O-N 3.39Å; K20-P23 HydrophobicContact CB-CG 4.38Å; K20-R24 WeakPolarHBondContact O-CG 3.23Å; K20-R24 PolarHBondContact O-N 3.06Å
21P92.4Very high92.2Very high100 Ų10056.1 Ų56.165%0.64932%0.32SS*.Hα-helixtrans-61.7-34.8-177.3-25.434.7000114.6A25P21-A25 WeakPolarHBondContact O-CB 3.32Å; P21-A25 PolarHBondContact O-N 3.18Å
22L93.2Very high92.1Very high6 Ų658.1 Ų58.13%0.03133%0.329CS..Hα-helixtrans-69.3-53.3-174.418063.3000112.2L15 L16 K20 R24 A25 I26 Y141L15-L22 HydrophobicContact CB-CD2 4.32Å; L16-L22 HydrophobicContact CD2-CD2 3.89Å; L16-L22 HydrophobicContact CD2-CG 4.15Å; K20-L22 VanDerWaalsContact C-N 3.32Å; K20-L22 PolarHBondContact O-N 3.39Å; L22-R24 VanDerWaalsContact C-N 3.3Å; L22-R24 PolarHBondContact O-N 3.36Å; L22-A25 PolarHBondContact O-N 2.87Å; L22-A25 VanDerWaalsContact O-N 3.15Å; L22-I26 HydrophobicContact CD1-CD1 3.86Å; L22-I26 HydrophobicContact CD1-CG1 4.08Å; L22-I26 HydrophobicContact CG-CD1 3.82Å; L22-I26 HydrophobicContact CG-CG1 4.42Å; L22-I26 VanDerWaalsContact O-CG1 3.26Å; L22-I26 WeakPolarHBondContact O-CG1 3.26Å; L22-I26 PolarHBondContact O-N 3.21Å; L22-Y141 HydrophobicContact CB-CE1 4.36Å; L22-Y141 HydrophobicContact CD1-CE1 4.35Å; L22-Y141 HydrophobicContact CD1-CE2 4.32Å; L22-Y141 HydrophobicContact CD2-CD1 4.01Å; L22-Y141 HydrophobicContact CD2-CE1 4.02Å; L22-Y141 HydrophobicContact CD2-CG 4.36Å; L22-Y141 HydrophobicContact CG-CE1 4.49Å
23P94Very high92.2Very high6 Ų658.4 Ų58.44%0.03933%0.332CS..Hα-helixtrans-52.2-46.4172.2-30.335.2000113.2L6 L15 L16 K20 A25 I26 E27L6-P23 HydrophobicContact CD1-CB 4.19Å; L15-P23 WeakPolarHBondContact O-CD 3.18Å; L16-P23 VanDerWaalsContact C-CG 3.46Å; L16-P23 VanDerWaalsContact CA-CG 3.43Å; L16-P23 HydrophobicContact CB-CG 4.27Å; L16-P23 HydrophobicContact CD2-CG 4.1Å; L16-P23 VanDerWaalsContact O-CG 3.23Å; L16-P23 WeakPolarHBondContact O-CG 3.41Å; K20-P23 HydrophobicContact CB-CG 4.38Å; P23-A25 VanDerWaalsContact C-N 3.31Å; P23-A25 PolarHBondContact O-N 3.39Å; P23-I26 PolarHBondContact O-N 3Å; P23-E27 WeakPolarHBondContact O-CB 3.45Å; P23-E27 WeakPolarHBondContact O-CG 3.38Å; P23-E27 PolarHBondContact O-N 2.81Å
24R93Very high92.4Very high168 Ų16853.3 Ų53.363%0.63431%0.308SS*.Hα-helixtrans-60.7-40.6179.7-67.9178.369.9176.22.4112.2K20 L22 A28K20-R24 WeakPolarHBondContact O-CG 3.23Å; K20-R24 PolarHBondContact O-N 3.06Å; L22-R24 VanDerWaalsContact C-N 3.3Å; L22-R24 PolarHBondContact O-N 3.36Å; R24-A28 WeakPolarHBondContact O-CB 3.3Å; R24-A28 PolarHBondContact O-N 3.17Å; R24-A28 VanDerWaalsContact O-N 3.11Å
25A93.1Very high92.6Very high22 Ų2250.2 Ų50.218%0.18229%0.294CS..Hα-helixtrans-67.2-44.1176.300000111.5P21 L22 P23 A28 G29 H30P21-A25 WeakPolarHBondContact O-CB 3.32Å; P21-A25 PolarHBondContact O-N 3.18Å; L22-A25 PolarHBondContact O-N 2.87Å; L22-A25 VanDerWaalsContact O-N 3.15Å; P23-A25 VanDerWaalsContact C-N 3.31Å; P23-A25 PolarHBondContact O-N 3.39Å; A25-A28 PolarHBondContact O-N 2.94Å; A25-G29 PolarHBondContact O-N 3.33Å; A25-H30 HydrophobicContact CB-CB 4.4Å; A25-H30 PolarHBondContact O-N 3.37Å
26I93.9Very high92.8Very high7 Ų748.9 Ų48.94%0.03629%0.287CS..Hα-helixtrans-61.7-53.9178.3-65.1173.6000110.2L6 L22 P23 A28 G29 L47 I51 Y54L6-I26 HydrophobicContact CD1-CB 4.07Å; L6-I26 HydrophobicContact CD1-CG2 3.85Å; L6-I26 HydrophobicContact CD2-CD1 4.14Å; L6-I26 HydrophobicContact CD2-CG2 4.39Å; L6-I26 HydrophobicContact CG-CG2 4.22Å; L22-I26 HydrophobicContact CD1-CD1 3.86Å; L22-I26 HydrophobicContact CD1-CG1 4.08Å; L22-I26 HydrophobicContact CG-CD1 3.82Å; L22-I26 HydrophobicContact CG-CG1 4.42Å; L22-I26 VanDerWaalsContact O-CG1 3.26Å; L22-I26 WeakPolarHBondContact O-CG1 3.26Å; L22-I26 PolarHBondContact O-N 3.21Å; P23-I26 PolarHBondContact O-N 3Å; I26-A28 PolarHBondContact O-N 3.36Å; I26-G29 WeakPolarHBondContact O-CA 3.02Å; I26-G29 PolarHBondContact O-N 3.48Å; I26-L47 HydrophobicContact CD1-CD1 4.31Å; I26-I51 HydrophobicContact CD1-CD1 4.12Å; I26-I51 HydrophobicContact CD1-CG1 3.61Å; I26-I51 HydrophobicContact CG1-CG1 3.86Å; I26-I51 HydrophobicContact CG2-CG1 4.39Å; I26-Y54 HydrophobicContact CG2-CD2 3.6Å; I26-Y54 HydrophobicContact CG2-CE2 4.23Å; I26-Y54 HydrophobicContact CG2-CG 3.79Å; I26-Y54 WeakPolarHBondContact O-CB 3.34Å
27E93.1Very high92.9Very high115 Ų11550.1 Ų50.154%0.53729%0.29SS..Hα-helixtrans-60.1-34.2-179.6-70.9171.116700112.5L6 P23 G29 Y54L6-E27 HydrophobicContact CD1-CG 3.97Å; P23-E27 WeakPolarHBondContact O-CB 3.45Å; P23-E27 WeakPolarHBondContact O-CG 3.38Å; P23-E27 PolarHBondContact O-N 2.81Å; E27-G29 PolarHBondContact O-N 3.46Å; E27-Y54 HydrophobicContact CB-CE1 4.44Å; E27-Y54 HydrophobicContact CG-CE1 4.01Å
28A93.3Very high92.7Very high58 Ų5849 Ų4948%0.47928%0.281SS..THydrogen-bonded Turntrans-80.74175.100000113.7R24 A25 I26 H30R24-A28 WeakPolarHBondContact O-CB 3.3Å; R24-A28 PolarHBondContact O-N 3.17Å; R24-A28 VanDerWaalsContact O-N 3.11Å; A25-A28 PolarHBondContact O-N 2.94Å; I26-A28 PolarHBondContact O-N 3.36Å; A28-H30 WeakPolarHBondContact CB-ND1 3.42Å; A28-H30 PolarHBondContact O-N 3.15Å; A28-H30 PolarHBondContact O-ND1 3.32Å
29G92Very high92.6Very high12 Ų1245.2 Ų45.212%0.12425%0.247CC..THydrogen-bonded Turntrans65.721.4-179.600000114.4A25 I26 E27 R88A25-G29 PolarHBondContact O-N 3.33Å; I26-G29 WeakPolarHBondContact O-CA 3.02Å; I26-G29 PolarHBondContact O-N 3.48Å; E27-G29 PolarHBondContact O-N 3.46Å; G29-R88 PolarHBondContact O-NH1 3.05Å
30H89.9Confident92.6Very high130 Ų13045.1 Ų45.160%0.60224%0.236SC*.  trans-87.6110.8178.3-70.280.3000110A25 A28A25-H30 HydrophobicContact CB-CB 4.4Å; A25-H30 PolarHBondContact O-N 3.37Å; A28-H30 WeakPolarHBondContact CB-ND1 3.42Å; A28-H30 PolarHBondContact O-N 3.15Å; A28-H30 PolarHBondContact O-ND1 3.32Å
31L85Confident92.5Very high38 Ų3841.1 Ų41.120%0.19922%0.222CC..  trans-92.9135.6178.7-69.7-179.3000111.3I51 A55 A57 I90 T117L31-I51 HydrophobicContact CD2-CG2 3.34Å; L31-A55 HydrophobicContact CD1-CB 3.5Å; L31-A55 HydrophobicContact CD2-CB 3.42Å; L31-A55 VanDerWaalsContact CD2-CB 3.42Å; L31-A55 HydrophobicContact CG-CB 3.38Å; L31-A57 HydrophobicContact CD1-CB 4.06Å; L31-I90 HydrophobicContact CD1-CD1 4.09Å; L31-I90 HydrophobicContact CD1-CG1 3.96Å; L31-I90 HydrophobicContact CD2-CD1 3.79Å; L31-I90 HydrophobicContact CD2-CG1 4.41Å; L31-T117 HydrophobicContact CB-CG2 3.87Å
32H92.8Very high92.6Very high42 Ų4236.5 Ų36.519%0.19419%0.191CC..  trans-137.4150.6164.860-91000109.8M34 Y141H32-M34 VanDerWaalsContact O-CE 3.26Å; H32-M34 WeakPolarHBondContact O-CE 3.39Å; H32-Y141 PolarHBondContact CE1-OH 3.02Å; H32-Y141 AromaticContact NE2-CE2 3.42Å; H32-Y141 WeakPolarHBondContact NE2-CE2 3.49Å; H32-Y141 AromaticContact NE2-CZ 3.57Å; H32-Y141 PolarHBondContact NE2-OH 3.09Å
33S96.2Very high92.6Very high15 Ų1537 Ų3711%0.10520%0.198CC..  trans-64.5138.5177.2-65.30000111F118 A138 R139S33-F118 CarbonylContact C-O 3.57Å; S33-F118 WeakPolarHBondContact CA-O 3.27Å; S33-F118 PolarHBondContact OG-N 2.72Å; S33-A138 WeakPolarHBondContact O-CA 3.38Å; S33-R139 PolarHBondContact O-N 3.2Å
34M96.8Very high92.6Very high3 Ų337.4 Ų37.42%0.01520%0.199CC..EExtended strand (participates in β ladder)trans-149.2157.5-174.566.6-175.379.100113.9H32 L36 I51 F118 I119 G120 R139 Y141H32-M34 VanDerWaalsContact O-CE 3.26Å; H32-M34 WeakPolarHBondContact O-CE 3.39Å; M34-L36 HydrophobicContact CG-CD2 4.26Å; M34-L36 HydrophobicContact SD-CD2 3.85Å; M34-I51 HydrophobicContact CE-CD1 3.93Å; M34-I51 HydrophobicContact SD-CD1 3.76Å; M34-F118 PolarHBondContact N-O 2.97Å; M34-I119 HydrophobicContact CG-CB 4.43Å; M34-I119 HydrophobicContact CG-CD1 4.43Å; M34-I119 HydrophobicContact CG-CG1 3.97Å; M34-I119 HydrophobicContact CG-CG2 4.09Å; M34-I119 WeakPolarHBondContact O-CA 3.41Å; M34-I119 HydrophobicContact SD-CD1 4.48Å; M34-G120 PolarHBondContact O-N 2.97Å; M34-R139 CarbonylContact C-O 3.6Å; M34-R139 WeakPolarHBondContact CA-O 3.46Å; M34-R139 VanDerWaalsContact CB-O 3.27Å; M34-R139 WeakPolarHBondContact CB-O 3.22Å; M34-Y141 HydrophobicContact CB-CD2 3.83Å; M34-Y141 HydrophobicContact CB-CE2 3.81Å; M34-Y141 HydrophobicContact CG-CD2 4.44Å; M34-Y141 HydrophobicContact SD-CD2 4.05Å; M34-Y141 HydrophobicContact SD-CE2 4.09Å
35I96.7Very high92.6Very high0 Ų030.4 Ų30.40%018%0.175CC..EExtended strand (participates in β ladder)trans-112119.3168.8-53.6-59.8000108F118 G120 T122 P126 L130 A138 R139 V140 Y141I35-F118 HydrophobicContact CD1-CD1 4.26Å; I35-F118 HydrophobicContact CD1-CE1 3.62Å; I35-G120 CarbonylContact C-O 3.2Å; I35-G120 VanDerWaalsContact CA-O 3.29Å; I35-G120 WeakPolarHBondContact CA-O 3.47Å; I35-T122 HydrophobicContact CG2-CG2 3.88Å; I35-P126 HydrophobicContact CG2-CB 4.21Å; I35-L130 HydrophobicContact CD1-CD1 3.74Å; I35-L130 HydrophobicContact CG1-CD1 3.98Å; I35-L130 HydrophobicContact CG2-CD1 4.09Å; I35-A138 HydrophobicContact CD1-CB 4.21Å; I35-A138 HydrophobicContact CG1-CB 4Å; I35-R139 PolarHBondContact N-O 3.32Å; I35-V140 HydrophobicContact CB-CG2 4.2Å; I35-V140 HydrophobicContact CG1-CG2 4.39Å; I35-Y141 PolarHBondContact O-N 3.49Å
36L97.1Very high92.7Very high0 Ų030.4 Ų30.40%017%0.173CC..EExtended strand (participates in β ladder)trans-91.4105.7171.4-56.3-177.4000107.9M34 K44 L47 I119 G120 A121 T122 Y141 L143M34-L36 HydrophobicContact CG-CD2 4.26Å; M34-L36 HydrophobicContact SD-CD2 3.85Å; L36-K44 HydrophobicContact CB-CB 4.16Å; L36-K44 HydrophobicContact CB-CD 4.38Å; L36-K44 HydrophobicContact CB-CG 4.09Å; L36-K44 HydrophobicContact CD1-CB 4.4Å; L36-K44 WeakPolarHBondContact CD1-O 3.47Å; L36-K44 VanDerWaalsContact O-CD 3.26Å; L36-K44 WeakPolarHBondContact O-CD 3.48Å; L36-L47 HydrophobicContact CD1-CB 4.17Å; L36-L47 HydrophobicContact CD1-CD2 4.21Å; L36-L47 HydrophobicContact CD1-CG 4.36Å; L36-L47 HydrophobicContact CD2-CD2 4Å; L36-I119 HydrophobicContact CD1-CG2 3.87Å; L36-I119 HydrophobicContact CG-CG2 4.01Å; L36-G120 PolarHBondContact N-O 2.92Å; L36-A121 WeakPolarHBondContact O-CA 3.33Å; L36-T122 PolarHBondContact O-N 3.11Å; L36-Y141 HydrophobicContact CD2-CD2 4.42Å; L36-L143 HydrophobicContact CB-CD1 4.02Å; L36-L143 HydrophobicContact CD2-CD1 4.13Å
37W95.8Very high92.8Very high50 Ų5030.2 Ų30.219%0.18917%0.172CC..EExtended strand (participates in β ladder)trans-109.1128.7-179.1171.235.7000110.2T122 T123 E124 N125 P126 V140 Y141 L142 L143W37-T122 WeakPolarHBondContact CA-O 3.38Å; W37-T122 HydrophobicContact CB-CG2 4.01Å; W37-T122 HydrophobicContact CG-CG2 4.29Å; W37-T123 PolarHBondContact NE1-O 3.2Å; W37-E124 PolarHBondContact NE1-O 3.41Å; W37-N125 HydrophobicContact CH2-CB 4.24Å; W37-N125 HydrophobicContact CZ2-CB 3.81Å; W37-P126 HydrophobicContact CB-CG 4.36Å; W37-P126 VanDerWaalsContact CD2-CD 3.4Å; W37-P126 HydrophobicContact CD2-CG 4.18Å; W37-P126 HydrophobicContact CE3-CG 4.04Å; W37-P126 HydrophobicContact CG-CG 4.31Å; W37-V140 HydrophobicContact CB-CG1 4.43Å; W37-V140 HydrophobicContact CE3-CG1 4.39Å; W37-Y141 PolarHBondContact N-O 3.4Å; W37-L142 HydrophobicContact CD2-CD1 3.91Å; W37-L142 HydrophobicContact CE3-CD1 3.84Å; W37-L142 HydrophobicContact CG-CD1 4.4Å; W37-L142 HydrophobicContact CZ3-CD1 4.2Å; W37-L142 CarbonylContact O-C 3.28Å; W37-L142 WeakPolarHBondContact O-CA 3.26Å; W37-L143 PolarHBondContact O-N 2.85Å
38G89.6Confident92.8Very high0 Ų024.8 Ų24.80%015%0.147CC..  trans167.6177.3169.700000113K44 T122 L143G38-K44 PolarHBondContact O-NZ 2.92Å; G38-T122 PolarHBondContact N-O 2.93Å; G38-L143 WeakPolarHBondContact CA-O 3.3Å
39P86.2Confident92.9Very high25 Ų2523 Ų2316%0.16213%0.128CC..  trans-55159.6-178.9-27.635.7000113.8T42 K44 L143P39-T42 HydrophobicContact CB-CG2 4.01Å; P39-T42 HydrophobicContact CG-CG2 4.41Å; P39-T42 WeakPolarHBondContact O-CG2 3.42Å; P39-T42 PolarHBondContact O-OG1 3.03Å; P39-K44 PolarHBondContact O-NZ 3.43Å; P39-L143 WeakPolarHBondContact CD-O 3.41Å
40P88.2Confident93Very high56 Ų5622.4 Ų22.436%0.36412%0.123SC..THydrogen-bonded Turntrans-58155.2170.626.9-34.8000111.1T42P40-T42 PolarHBondContact O-N 3.08Å; P40-T42 VanDerWaalsContact O-N 3.08Å
41G90.6Very high93.2Very high11 Ų1116.4 Ų16.411%0.11310%0.095CC..THydrogen-bonded Turntrans75-6.9176.400000116.9G43 D188 A189G41-G43 PolarHBondContact O-N 2.97Å; G41-D188 WeakPolarHBondContact CA-OD1 3.46Å; G41-A189 PolarHBondContact O-N 3.25Å
42T93.3Very high93.7Very high2 Ų214.7 Ų14.71%0.0129%0.087CC..SBendtrans-75.7-5.6-178.854.20000115.1Y9 P39 P40 K144Y9-T42 PolarHBondContact OH-O 3.39Å; P39-T42 HydrophobicContact CB-CG2 4.01Å; P39-T42 HydrophobicContact CG-CG2 4.41Å; P39-T42 WeakPolarHBondContact O-CG2 3.42Å; P39-T42 PolarHBondContact O-OG1 3.03Å; P40-T42 PolarHBondContact O-N 3.08Å; P40-T42 VanDerWaalsContact O-N 3.08Å; T42-K144 VanDerWaalsContact CG2-O 3.29Å; T42-K144 WeakPolarHBondContact CG2-O 3.26Å
43G93.8Very high93.7Very high17 Ų1718.4 Ų18.418%0.17510%0.099CC..SBendtrans97.215.4174.200000116.5Y9 G41 T45 T46 L47Y9-G43 VanDerWaalsContact OH-C 3.22Å; Y9-G43 VanDerWaalsContact OH-CA 3.24Å; Y9-G43 WeakPolarHBondContact OH-CA 3.44Å; Y9-G43 PolarHBondContact OH-O 3.41Å; G41-G43 PolarHBondContact O-N 2.97Å; G43-T45 PolarHBondContact O-N 3.28Å; G43-T46 CarbonylContact O-C 3.53Å; G43-T46 WeakPolarHBondContact O-CA 3.17Å; G43-T46 WeakPolarHBondContact O-CB 3.48Å; G43-T46 PolarHBondContact O-N 2.92Å; G43-L47 PolarHBondContact O-N 2.86Å
44K94.9Very high93.6Very high14 Ų1421.5 Ų21.56%0.06111%0.109CC..Hα-helixtrans-44.6-56.6177.2-62.1-175.4-68.6-79.90114L36 G38 P39 T46 L47 A48 A121 L143L36-K44 HydrophobicContact CB-CB 4.16Å; L36-K44 HydrophobicContact CB-CD 4.38Å; L36-K44 HydrophobicContact CB-CG 4.09Å; L36-K44 HydrophobicContact CD1-CB 4.4Å; L36-K44 WeakPolarHBondContact CD1-O 3.47Å; L36-K44 VanDerWaalsContact O-CD 3.26Å; L36-K44 WeakPolarHBondContact O-CD 3.48Å; G38-K44 PolarHBondContact O-NZ 2.92Å; P39-K44 PolarHBondContact O-NZ 3.43Å; K44-T46 VanDerWaalsContact C-N 3.33Å; K44-T46 PolarHBondContact O-N 3.28Å; K44-L47 PolarHBondContact O-N 3.48Å; K44-A48 PolarHBondContact O-N 2.94Å; K44-A48 VanDerWaalsContact O-N 3.17Å; K44-A121 HydrophobicContact CB-CB 4.06Å; K44-A121 HydrophobicContact CD-CB 4.12Å; K44-L143 HydrophobicContact CG-CD2 3.92Å
45T93.3Very high93.5Very high22 Ų2221.8 Ų21.814%0.13511%0.111CC..Hα-helixtrans-63-39.6179-42.40000112.1G43 A48 E49 F92G43-T45 PolarHBondContact O-N 3.28Å; T45-A48 PolarHBondContact O-N 3.24Å; T45-E49 PolarHBondContact O-N 2.79Å; T45-F92 HydrophobicContact CG2-CE1 3.77Å; T45-F92 HydrophobicContact CG2-CZ 3.95Å
46T94.7Very high93.3Very high22 Ų2228.7 Ų28.714%0.13515%0.148CC..Hα-helixtrans-63.4-44.4177.1-59.60000111.1R2 P3 Y9 G43 K44 A48 E49 V50R2-T46 HydrophobicContact CG-CG2 3.91Å; P3-T46 HydrophobicContact CB-CG2 3.75Å; P3-T46 VanDerWaalsContact CD-CG2 3.48Å; P3-T46 HydrophobicContact CG-CG2 3.7Å; Y9-T46 HydrophobicContact CD2-CG2 3.93Å; Y9-T46 HydrophobicContact CE2-CG2 3.96Å; G43-T46 CarbonylContact O-C 3.53Å; G43-T46 WeakPolarHBondContact O-CA 3.17Å; G43-T46 WeakPolarHBondContact O-CB 3.48Å; G43-T46 PolarHBondContact O-N 2.92Å; K44-T46 VanDerWaalsContact C-N 3.33Å; K44-T46 PolarHBondContact O-N 3.28Å; T46-A48 VanDerWaalsContact C-N 3.3Å; T46-A48 PolarHBondContact O-N 3.44Å; T46-E49 WeakPolarHBondContact O-CB 3.43Å; T46-E49 PolarHBondContact O-N 3.49Å; T46-E49 VanDerWaalsContact O-N 3.12Å; T46-V50 HydrophobicContact CG2-CG2 4.41Å; T46-V50 WeakPolarHBondContact O-CG2 3.32Å; T46-V50 PolarHBondContact O-N 3.28Å
47L95.3Very high93.1Very high2 Ų229.2 Ų29.21%0.0115%0.153CC..Hα-helixtrans-62-41.6-179.9-177.357.5000110.6L6 Y9 L16 I26 L36 G43 K44 E49 V50 I51L6-L47 HydrophobicContact CD2-CD1 4.35Å; Y9-L47 HydrophobicContact CE2-CB 3.74Å; Y9-L47 HydrophobicContact CE2-CD1 4.37Å; L16-L47 HydrophobicContact CD1-CD1 4.27Å; L16-L47 HydrophobicContact CD2-CD1 4.44Å; I26-L47 HydrophobicContact CD1-CD1 4.31Å; L36-L47 HydrophobicContact CD1-CB 4.17Å; L36-L47 HydrophobicContact CD1-CD2 4.21Å; L36-L47 HydrophobicContact CD1-CG 4.36Å; L36-L47 HydrophobicContact CD2-CD2 4Å; G43-L47 PolarHBondContact O-N 2.86Å; K44-L47 PolarHBondContact O-N 3.48Å; L47-E49 VanDerWaalsContact C-N 3.3Å; L47-E49 PolarHBondContact O-N 2.99Å; L47-V50 PolarHBondContact O-N 3.44Å; L47-I51 HydrophobicContact CD1-CD1 4.31Å; L47-I51 HydrophobicContact CD1-CG1 4.39Å; L47-I51 HydrophobicContact CG-CD1 3.97Å; L47-I51 WeakPolarHBondContact O-CB 3.43Å; L47-I51 WeakPolarHBondContact O-CD1 3.4Å; L47-I51 WeakPolarHBondContact O-CG1 3.49Å; L47-I51 PolarHBondContact O-N 3.41Å
48A94.3Very high93Very high1 Ų129.5 Ų29.51%0.00816%0.158CC..Hα-helixtrans-58.6-40.7174.100000112.6K44 T45 T46 A52 F92 I119K44-A48 PolarHBondContact O-N 2.94Å; K44-A48 VanDerWaalsContact O-N 3.17Å; T45-A48 PolarHBondContact O-N 3.24Å; T46-A48 VanDerWaalsContact C-N 3.3Å; T46-A48 PolarHBondContact O-N 3.44Å; A48-A52 PolarHBondContact O-N 3.47Å; A48-F92 HydrophobicContact CB-CD2 3.37Å; A48-F92 HydrophobicContact CB-CE2 3.62Å; A48-F92 HydrophobicContact CB-CG 4.23Å; A48-I119 HydrophobicContact CB-CD1 4.15Å; A48-I119 HydrophobicContact CB-CG2 3.98Å
49E93.9Very high93.3Very high20 Ų2031.5 Ų31.59%0.09317%0.17CC..Hα-helixtrans-68.6-40.7175.9-71.2-175.6-17200113.2R2 T45 T46 L47 I51 A52 R53 R61R2-E49 WeakPolarHBondContact CD-OE2 3.43Å; R2-E49 IonicContact CZ-OE1 3.94Å; R2-E49 IonicContact NE-OE2 3.92Å; R2-E49 VanDerWaalsContact NH1-CD 3.3Å; R2-E49 IonicContact NH1-OE1 2.86Å; R2-E49 PolarHBondContact NH1-OE1 3.09Å; R2-E49 IonicContact NH1-OE2 3.78Å; T45-E49 PolarHBondContact O-N 2.79Å; T46-E49 WeakPolarHBondContact O-CB 3.43Å; T46-E49 PolarHBondContact O-N 3.49Å; T46-E49 VanDerWaalsContact O-N 3.12Å; L47-E49 VanDerWaalsContact C-N 3.3Å; L47-E49 PolarHBondContact O-N 2.99Å; E49-I51 VanDerWaalsContact C-N 3.33Å; E49-A52 WeakPolarHBondContact O-CB 3.33Å; E49-A52 PolarHBondContact O-N 2.94Å; E49-R53 WeakPolarHBondContact O-CG 3.45Å; E49-R53 PolarHBondContact O-N 2.81Å; E49-R53 VanDerWaalsContact O-N 3.15Å; E49-R61 IonicContact OE1-CZ 3.12Å; E49-R61 IonicContact OE1-NH1 3.66Å; E49-R61 PolarHBondContact OE1-NH1 3.22Å; E49-R61 VanDerWaalsContact OE1-NH1 3.13Å; E49-R61 IonicContact OE1-NH2 3.46Å; E49-R61 PolarHBondContact OE1-NH2 2.81Å
50V94.6Very high93.7Very high0 Ų031.6 Ų31.60%017%0.168CC..Hα-helixtrans-61-47175.8172.40000109.5L6 T46 L47 A52 R53 Y54L6-V50 HydrophobicContact CD2-CG1 3.85Å; L6-V50 HydrophobicContact CG-CG1 4.03Å; T46-V50 HydrophobicContact CG2-CG2 4.41Å; T46-V50 WeakPolarHBondContact O-CG2 3.32Å; T46-V50 PolarHBondContact O-N 3.28Å; L47-V50 PolarHBondContact O-N 3.44Å; V50-A52 VanDerWaalsContact C-N 3.29Å; V50-A52 PolarHBondContact O-N 2.89Å; V50-R53 PolarHBondContact O-N 3.15Å; V50-Y54 HydrophobicContact CG1-CD2 3.87Å; V50-Y54 HydrophobicContact CG1-CE2 3.71Å; V50-Y54 WeakPolarHBondContact O-CD2 3.32Å; V50-Y54 PolarHBondContact O-N 3.18Å
51I95Very high94Very high4 Ų435.3 Ų35.32%0.02118%0.175CC..Hα-helixtrans-55-45.5175.8-68.3166.8000111.2I26 L31 M34 L47 E49 R53 Y54 A55 I90 I119I26-I51 HydrophobicContact CD1-CD1 4.12Å; I26-I51 HydrophobicContact CD1-CG1 3.61Å; I26-I51 HydrophobicContact CG1-CG1 3.86Å; I26-I51 HydrophobicContact CG2-CG1 4.39Å; L31-I51 HydrophobicContact CD2-CG2 3.34Å; M34-I51 HydrophobicContact CE-CD1 3.93Å; M34-I51 HydrophobicContact SD-CD1 3.76Å; L47-I51 HydrophobicContact CD1-CD1 4.31Å; L47-I51 HydrophobicContact CD1-CG1 4.39Å; L47-I51 HydrophobicContact CG-CD1 3.97Å; L47-I51 WeakPolarHBondContact O-CB 3.43Å; L47-I51 WeakPolarHBondContact O-CD1 3.4Å; L47-I51 WeakPolarHBondContact O-CG1 3.49Å; L47-I51 PolarHBondContact O-N 3.41Å; E49-I51 VanDerWaalsContact C-N 3.33Å; I51-R53 VanDerWaalsContact C-N 3.33Å; I51-R53 PolarHBondContact O-N 3.4Å; I51-Y54 PolarHBondContact O-N 2.89Å; I51-A55 WeakPolarHBondContact O-CB 3.49Å; I51-A55 PolarHBondContact O-N 3.33Å; I51-I90 HydrophobicContact CG2-CD1 4.03Å; I51-I119 HydrophobicContact CD1-CD1 4.24Å; I51-I119 HydrophobicContact CG2-CD1 4.28Å
52A94.4Very high94.2Very high3 Ų335.2 Ų35.23%0.02517%0.172CC..Hα-helixtrans-59.7-41.2179.800000113.3A48 E49 V50 A55 N56 A57 V59 I90A48-A52 PolarHBondContact O-N 3.47Å; E49-A52 WeakPolarHBondContact O-CB 3.33Å; E49-A52 PolarHBondContact O-N 2.94Å; V50-A52 VanDerWaalsContact C-N 3.29Å; V50-A52 PolarHBondContact O-N 2.89Å; A52-A55 PolarHBondContact O-N 3.06Å; A52-N56 PolarHBondContact O-N 2.92Å; A52-A57 PolarHBondContact O-N 3.26Å; A52-V59 HydrophobicContact CB-CG2 3.16Å; A52-I90 HydrophobicContact CB-CD1 3.75Å
53R94Very high94.1Very high120 Ų12036.9 Ų36.945%0.45318%0.184SC..Hα-helixtrans-64.9-47.6178.9-67.8174-165.6-151.28.1111.8E4 E49 V50 I51 A55 N56E4-R53 WeakPolarHBondContact O-CD 3.4Å; E4-R53 IonicContact OE1-NH1 3.67Å; E49-R53 WeakPolarHBondContact O-CG 3.45Å; E49-R53 PolarHBondContact O-N 2.81Å; E49-R53 VanDerWaalsContact O-N 3.15Å; V50-R53 PolarHBondContact O-N 3.15Å; I51-R53 VanDerWaalsContact C-N 3.33Å; I51-R53 PolarHBondContact O-N 3.4Å; R53-A55 VanDerWaalsContact C-N 3.26Å; R53-A55 PolarHBondContact O-N 3.28Å; R53-N56 PolarHBondContact O-N 3.39Å
54Y94.1Very high93.9Very high80 Ų8036.5 Ų36.531%0.31418%0.179SC..Hα-helixtrans-63.7-33.2178.1-82.3-86.7000112.7N5 L6 I26 E27 V50 I51 N56N5-Y54 HydrophobicContact CB-CE2 4.29Å; L6-Y54 HydrophobicContact CD1-CE2 4.45Å; L6-Y54 HydrophobicContact CG-CE2 3.94Å; L6-Y54 PolarHBondContact N-OH 3.37Å; I26-Y54 HydrophobicContact CG2-CD2 3.6Å; I26-Y54 HydrophobicContact CG2-CE2 4.23Å; I26-Y54 HydrophobicContact CG2-CG 3.79Å; I26-Y54 WeakPolarHBondContact O-CB 3.34Å; E27-Y54 HydrophobicContact CB-CE1 4.44Å; E27-Y54 HydrophobicContact CG-CE1 4.01Å; V50-Y54 HydrophobicContact CG1-CD2 3.87Å; V50-Y54 HydrophobicContact CG1-CE2 3.71Å; V50-Y54 WeakPolarHBondContact O-CD2 3.32Å; V50-Y54 PolarHBondContact O-N 3.18Å; I51-Y54 PolarHBondContact O-N 2.89Å; Y54-N56 VanDerWaalsContact C-N 3.33Å
55A93Very high93.6Very high8 Ų840.3 Ų40.37%0.06620%0.203CC..THydrogen-bonded Turntrans-86.9-0.4178.600000114.6L31 I51 A52 R53 A57L31-A55 HydrophobicContact CD1-CB 3.5Å; L31-A55 HydrophobicContact CD2-CB 3.42Å; L31-A55 VanDerWaalsContact CD2-CB 3.42Å; L31-A55 HydrophobicContact CG-CB 3.38Å; I51-A55 WeakPolarHBondContact O-CB 3.49Å; I51-A55 PolarHBondContact O-N 3.33Å; A52-A55 PolarHBondContact O-N 3.06Å; R53-A55 VanDerWaalsContact C-N 3.26Å; R53-A55 PolarHBondContact O-N 3.28Å; A55-A57 VanDerWaalsContact C-N 3.26Å; A55-A57 HydrophobicContact CB-CB 4.33Å; A55-A57 PolarHBondContact O-N 2.92Å
56N92.7Very high93.3Very high146 Ų14644.8 Ų44.878%0.78123%0.231SC*.THydrogen-bonded Turntrans46.450.2-171.9-167.538.3000112.2A52 R53 Y54A52-N56 PolarHBondContact O-N 2.92Å; R53-N56 PolarHBondContact O-N 3.39Å; Y54-N56 VanDerWaalsContact C-N 3.33Å
57A94Very high92.9Very high11 Ų1144.8 Ų44.89%0.09123%0.231CC..EExtended strand (participates in β ladder)trans-112.3141.3-176.200000111.5L31 A52 A55 R88 I90L31-A57 HydrophobicContact CD1-CB 4.06Å; A52-A57 PolarHBondContact O-N 3.26Å; A55-A57 VanDerWaalsContact C-N 3.26Å; A55-A57 HydrophobicContact CB-CB 4.33Å; A55-A57 PolarHBondContact O-N 2.92Å; A57-R88 CarbonylContact C-O 3.28Å; A57-R88 VanDerWaalsContact CA-O 3.3Å; A57-R88 WeakPolarHBondContact CA-O 2.89Å; A57-R88 HydrophobicContact CB-CB 3.85Å; A57-I90 HydrophobicContact CB-CD1 4.08Å; A57-I90 HydrophobicContact CB-CG1 3.94Å
58D93.9Very high92.4Very high55 Ų5545.8 Ų45.829%0.29424%0.242SC..EExtended strand (participates in β ladder)trans-70.8140.4170.5-70.2-23.1000109.3N82 R87 R88 T89 I90D58-N82 WeakPolarHBondContact CB-ND2 3.27Å; D58-N82 PolarHBondContact OD2-ND2 3.48Å; D58-N82 VanDerWaalsContact OD2-ND2 3.09Å; D58-N82 PolarHBondContact OD2-OD1 2.6Å; D58-R87 IonicContact OD2-CZ 3.3Å; D58-R87 VanDerWaalsContact OD2-CZ 3.3Å; D58-R87 IonicContact OD2-NE 3.44Å; D58-R87 PolarHBondContact OD2-NE 2.81Å; D58-R87 IonicContact OD2-NH1 3.28Å; D58-R87 PolarHBondContact OD2-NH1 2.89Å; D58-R87 IonicContact OD2-NH2 3.87Å; D58-R88 PolarHBondContact N-O 2.62Å; D58-T89 CarbonylContact O-C 3.48Å; D58-T89 WeakPolarHBondContact O-CA 3.18Å; D58-I90 PolarHBondContact O-N 2.8Å
59V94.5Very high92.1Very high43 Ų4348.9 Ų48.926%0.26126%0.261SS..EExtended strand (participates in β ladder)trans-107.7112.3-179.6-173.70000110.3A52 R61 I90 F92A52-V59 HydrophobicContact CB-CG2 3.16Å; V59-R61 HydrophobicContact CG1-CG 3.86Å; V59-I90 WeakPolarHBondContact CA-O 3.46Å; V59-F92 HydrophobicContact CG1-CB 4.09Å
60E95.1Very high91.9Very high26 Ų2654.2 Ų54.212%0.12128%0.283CS..EExtended strand (participates in β ladder)trans-90.4123167.7-74.2-60.8164.200109.7A75 R78 T89 I90 L91 F92E60-A75 HydrophobicContact CB-CB 4.33Å; E60-R78 VanDerWaalsContact CD-CZ 3.45Å; E60-R78 WeakPolarHBondContact OE1-CD 3.17Å; E60-R78 IonicContact OE1-CZ 3.79Å; E60-R78 IonicContact OE1-NE 4Å; E60-R78 IonicContact OE1-NH1 3.13Å; E60-R78 PolarHBondContact OE1-NH1 2.93Å; E60-R78 IonicContact OE2-CZ 3.58Å; E60-R78 IonicContact OE2-NE 2.62Å; E60-R78 IonicContact OE2-NH1 3.89Å; E60-R78 PolarHBondContact OE2-NH1 2.95Å; E60-R78 IonicContact OE2-NH2 2.61Å; E60-R78 PolarHBondContact OE2-NH2 2.85Å; E60-R78 VanDerWaalsContact OE2-NH2 3.08Å; E60-T89 HydrophobicContact CB-CG2 4.3Å; E60-T89 HydrophobicContact CG-CG2 3.88Å; E60-I90 PolarHBondContact N-O 3.41Å; E60-L91 HydrophobicContact CB-CD1 3.85Å; E60-L91 CarbonylContact O-C 3.57Å; E60-F92 PolarHBondContact O-N 2.68Å
61R94.6Very high91.8Very high135 Ų13557.4 Ų57.451%0.50930%0.298SS..EExtended strand (participates in β ladder)trans-109.8130.9-175.6-61.5-177.8-169.1-177.81.2111E49 V59 F92E49-R61 IonicContact OE1-CZ 3.12Å; E49-R61 IonicContact OE1-NH1 3.66Å; E49-R61 PolarHBondContact OE1-NH1 3.22Å; E49-R61 VanDerWaalsContact OE1-NH1 3.13Å; E49-R61 IonicContact OE1-NH2 3.46Å; E49-R61 PolarHBondContact OE1-NH2 2.81Å; V59-R61 HydrophobicContact CG1-CG 3.86Å; R61-F92 WeakPolarHBondContact CA-O 3.43Å; R61-F92 HydrophobicContact CG-CD1 4.46Å
62I94.2Very high91.7Very high8 Ų857.4 Ų57.44%0.04130%0.298CS..EExtended strand (participates in β ladder)trans-129.2135.9174.1-63.1-172.5000107.6S67 I72 A75 L91 F92 V93 D94 F99I62-S67 VanDerWaalsContact CG2-OG 3.25Å; I62-S67 WeakPolarHBondContact CG2-OG 3.34Å; I62-I72 HydrophobicContact CD1-CG1 4.12Å; I62-A75 HydrophobicContact CD1-CB 3.66Å; I62-A75 HydrophobicContact CG1-CB 4.2Å; I62-L91 HydrophobicContact CD1-CD1 3.82Å; I62-L91 HydrophobicContact CG1-CD1 4.02Å; I62-F92 PolarHBondContact N-O 3.43Å; I62-V93 HydrophobicContact CB-CG2 4.42Å; I62-V93 CarbonylContact O-C 3.5Å; I62-V93 WeakPolarHBondContact O-CA 3.49Å; I62-D94 PolarHBondContact O-N 3.2Å; I62-F99 HydrophobicContact CG2-CE2 4.26Å; I62-F99 HydrophobicContact CG2-CZ 3.8Å
63S92.6Very high91.5Very high38 Ų3865.8 Ų65.827%0.26633%0.33SS..EExtended strand (participates in β ladder)trans-102.1120.8166.6176.70000108.9V65 T66 S67S63-V65 PolarHBondContact O-N 3.33Å; S63-V65 VanDerWaalsContact O-N 3.08Å; S63-V65 PolarHBondContact OG-N 2.83Å; S63-T66 PolarHBondContact O-N 3.47Å; S63-T66 VanDerWaalsContact O-N 3.14Å; S63-S67 PolarHBondContact N-OG 3.22Å; S63-S67 WeakPolarHBondContact O-CB 3.25Å; S63-S67 PolarHBondContact O-N 3.27Å; S63-S67 PolarHBondContact O-OG 3.16Å
64A89.9Confident91.6Very high8 Ų864.4 Ų64.47%0.06633%0.328CS..THydrogen-bonded Turntrans-67.3-8.8-179.900000113.8V93 D94 E95 R98 F99A64-V93 HydrophobicContact CB-CG1 4.22Å; A64-D94 WeakPolarHBondContact CB-O 3.27Å; A64-D94 PolarHBondContact N-O 2.81Å; A64-E95 VanDerWaalsContact CB-O 3.28Å; A64-E95 WeakPolarHBondContact CB-O 3.39Å; A64-R98 HydrophobicContact CB-CB 3.96Å; A64-F99 VanDerWaalsContact CA-CE1 3.43Å; A64-F99 HydrophobicContact CB-CD1 3.69Å; A64-F99 HydrophobicContact CB-CD2 3.75Å; A64-F99 HydrophobicContact CB-CE1 3.67Å; A64-F99 HydrophobicContact CB-CE2 3.73Å; A64-F99 HydrophobicContact CB-CG 3.74Å; A64-F99 HydrophobicContact CB-CZ 3.71Å
65V88Confident91.6Very high95 Ų9560.7 Ų60.758%0.57631%0.314SS*.THydrogen-bonded Turntrans-78.2-38.4173.5-179.10000111.6S63 E95 R98S63-V65 PolarHBondContact O-N 3.33Å; S63-V65 VanDerWaalsContact O-N 3.08Å; S63-V65 PolarHBondContact OG-N 2.83Å; V65-E95 HydrophobicContact CG2-CB 3.94Å; V65-E95 HydrophobicContact CG2-CG 4.1Å; V65-R98 HydrophobicContact CG2-CG 4.12Å
66T86.5Confident91.7Very high116 Ų11660.6 Ų60.671%0.71231%0.312SS*.THydrogen-bonded Turntrans-110.1-13.2-172.357.10000113.8S63S63-T66 PolarHBondContact O-N 3.47Å; S63-T66 VanDerWaalsContact O-N 3.14Å
67S86.5Confident91.8Very high21 Ų2157.8 Ų57.815%0.14729%0.294CS..  trans-98.3144.2-172.3-52.50000111.7I62 S63 F99I62-S67 VanDerWaalsContact CG2-OG 3.25Å; I62-S67 WeakPolarHBondContact CG2-OG 3.34Å; S63-S67 PolarHBondContact N-OG 3.22Å; S63-S67 WeakPolarHBondContact O-CB 3.25Å; S63-S67 PolarHBondContact O-N 3.27Å; S63-S67 PolarHBondContact O-OG 3.16Å; S67-F99 WeakPolarHBondContact O-CE1 3.48Å
68G85.5Confident91.9Very high23 Ų2362.2 Ų62.224%0.23731%0.309CS..  trans-110.8-164.3171.400000112.2K70 E71 I72G68-K70 PolarHBondContact O-N 2.83Å; G68-E71 VanDerWaalsContact CA-OE2 3.31Å; G68-E71 WeakPolarHBondContact CA-OE2 3.38Å; G68-E71 PolarHBondContact N-OE2 2.97Å; G68-I72 WeakPolarHBondContact O-CG1 3.4Å; G68-I72 PolarHBondContact O-N 3.44Å
69V86.7Confident92Very high66 Ų6659.6 Ų59.640%0.430%0.295SS..Hα-helixtrans-64.8-27.2177.5176.70000111.8R73 Q103V69-R73 WeakPolarHBondContact O-CG 3.39Å; V69-R73 PolarHBondContact O-N 3.23Å; V69-R73 VanDerWaalsContact O-N 3.12Å; V69-Q103 HydrophobicContact CG2-CG 4.1Å
70K90.7Very high92Very high132 Ų13262.5 Ų62.557%0.57430%0.301SS*.Hα-helixtrans-67.1-52.1-179.4-178-173.7168.4-167.80111.3G68 I72 R73 E74G68-K70 PolarHBondContact O-N 2.83Å; K70-I72 VanDerWaalsContact C-N 3.26Å; K70-I72 PolarHBondContact O-N 2.98Å; K70-R73 WeakPolarHBondContact O-CB 3.45Å; K70-R73 PolarHBondContact O-N 2.85Å; K70-E74 WeakPolarHBondContact CE-OE1 3.09Å; K70-E74 IonicContact NZ-OE1 3.59Å; K70-E74 WeakPolarHBondContact O-CG 3.44Å; K70-E74 PolarHBondContact O-N 3.48Å
71E92.6Very high92Very high67 Ų6766.6 Ų66.631%0.31332%0.32SS..Hα-helixtrans-63-36.3-179.4-65.669.4-153.500111G68 E74 A75G68-E71 VanDerWaalsContact CA-OE2 3.31Å; G68-E71 WeakPolarHBondContact CA-OE2 3.38Å; G68-E71 PolarHBondContact N-OE2 2.97Å; E71-E74 PolarHBondContact O-N 2.85Å; E71-A75 WeakPolarHBondContact O-CB 3.38Å; E71-A75 PolarHBondContact O-N 3.37Å
72I91.4Very high91.9Very high4 Ų460.9 Ų60.92%0.02130%0.3CS..Hα-helixtrans-58-51.8171.4-67.4169.1000110.4I62 G68 K70 E74 A75 I76 F99 Q103 A106 F107I62-I72 HydrophobicContact CD1-CG1 4.12Å; G68-I72 WeakPolarHBondContact O-CG1 3.4Å; G68-I72 PolarHBondContact O-N 3.44Å; K70-I72 VanDerWaalsContact C-N 3.26Å; K70-I72 PolarHBondContact O-N 2.98Å; I72-E74 VanDerWaalsContact C-N 3.33Å; I72-E74 PolarHBondContact O-N 3.18Å; I72-A75 PolarHBondContact O-N 3.23Å; I72-I76 HydrophobicContact CG2-CG1 4.47Å; I72-I76 WeakPolarHBondContact O-CG1 3.41Å; I72-I76 PolarHBondContact O-N 3.1Å; I72-F99 HydrophobicContact CD1-CE1 4.31Å; I72-F99 HydrophobicContact CD1-CE2 4.04Å; I72-F99 HydrophobicContact CD1-CZ 3.87Å; I72-F99 HydrophobicContact CG1-CE2 4.48Å; I72-F99 HydrophobicContact CG1-CZ 4.21Å; I72-Q103 HydrophobicContact CD1-CB 4.32Å; I72-A106 HydrophobicContact CG2-CB 4.42Å; I72-F107 HydrophobicContact CB-CE1 4.27Å; I72-F107 HydrophobicContact CD1-CE1 4.11Å; I72-F107 HydrophobicContact CD1-CE2 4.5Å; I72-F107 HydrophobicContact CD1-CZ 3.64Å; I72-F107 HydrophobicContact CG1-CE1 3.87Å; I72-F107 HydrophobicContact CG1-CZ 3.81Å; I72-F107 HydrophobicContact CG2-CD1 4.11Å; I72-F107 HydrophobicContact CG2-CE1 3.51Å; I72-F107 HydrophobicContact CG2-CZ 4.17Å
73R92.1Very high91.8Very high180 Ų18066.1 Ų66.168%0.67932%0.319SS*.Hα-helixtrans-60.6-41.5179.5-72.3174.2-176.8169.72.1112.3V69 K70 I76 E77V69-R73 WeakPolarHBondContact O-CG 3.39Å; V69-R73 PolarHBondContact O-N 3.23Å; V69-R73 VanDerWaalsContact O-N 3.12Å; K70-R73 WeakPolarHBondContact O-CB 3.45Å; K70-R73 PolarHBondContact O-N 2.85Å; R73-I76 PolarHBondContact O-N 3.05Å; R73-E77 WeakPolarHBondContact O-CB 3.44Å; R73-E77 PolarHBondContact O-N 3.22Å
74E94.9Very high91.8Very high91 Ų9171 Ų7143%0.42534%0.342SS..Hα-helixtrans-65.3-38.3178.6-71.3174.6175.900112.6K70 E71 I72 R78K70-E74 WeakPolarHBondContact CE-OE1 3.09Å; K70-E74 IonicContact NZ-OE1 3.59Å; K70-E74 WeakPolarHBondContact O-CG 3.44Å; K70-E74 PolarHBondContact O-N 3.48Å; E71-E74 PolarHBondContact O-N 2.85Å; I72-E74 VanDerWaalsContact C-N 3.33Å; I72-E74 PolarHBondContact O-N 3.18Å; E74-R78 WeakPolarHBondContact O-CG 3.31Å; E74-R78 PolarHBondContact O-N 2.95Å; E74-R78 VanDerWaalsContact O-N 3.12Å; E74-R78 PolarHBondContact O-NE 2.86Å
75A94.5Very high92Very high1 Ų173.8 Ų73.81%0.00837%0.365CS..Hα-helixtrans-68.8-40.1174.800000112.2E60 I62 E71 I72 E77 R78 A79 L91E60-A75 HydrophobicContact CB-CB 4.33Å; I62-A75 HydrophobicContact CD1-CB 3.66Å; I62-A75 HydrophobicContact CG1-CB 4.2Å; E71-A75 WeakPolarHBondContact O-CB 3.38Å; E71-A75 PolarHBondContact O-N 3.37Å; I72-A75 PolarHBondContact O-N 3.23Å; A75-E77 VanDerWaalsContact C-N 3.33Å; A75-R78 PolarHBondContact O-N 3.04Å; A75-A79 WeakPolarHBondContact O-CB 3.37Å; A75-A79 PolarHBondContact O-N 3.07Å; A75-L91 HydrophobicContact CB-CD1 3.82Å
76I94.9Very high92.1Very high7 Ų772.7 Ų72.74%0.03637%0.373CS..Hα-helixtrans-63.4-40.9174.7-66.9-56.2000111.1I72 R73 A79 R80 L91 H110 I116I72-I76 HydrophobicContact CG2-CG1 4.47Å; I72-I76 WeakPolarHBondContact O-CG1 3.41Å; I72-I76 PolarHBondContact O-N 3.1Å; R73-I76 PolarHBondContact O-N 3.05Å; I76-A79 WeakPolarHBondContact O-CB 3.44Å; I76-A79 PolarHBondContact O-N 3.08Å; I76-R80 WeakPolarHBondContact O-CG 3.33Å; I76-R80 PolarHBondContact O-N 2.7Å; I76-L91 HydrophobicContact CD1-CD2 4.19Å; I76-H110 HydrophobicContact CD1-CB 3.85Å; I76-I116 HydrophobicContact CD1-CD1 3.82Å; I76-I116 HydrophobicContact CD1-CG1 4.41Å; I76-I116 HydrophobicContact CD1-CG2 3.99Å
77E95.4Very high92.4Very high87 Ų8773.2 Ų73.241%0.40736%0.362SS..Hα-helixtrans-65.9-40.9179.3-167.455.3-149.700111.8R73 A75 A79 R80 Q81R73-E77 WeakPolarHBondContact O-CB 3.44Å; R73-E77 PolarHBondContact O-N 3.22Å; A75-E77 VanDerWaalsContact C-N 3.33Å; E77-A79 VanDerWaalsContact C-N 3.34Å; E77-A79 PolarHBondContact O-N 3.49Å; E77-R80 WeakPolarHBondContact O-CB 3.15Å; E77-R80 PolarHBondContact O-N 3.49Å; E77-R80 IonicContact OE2-NH1 3.14Å; E77-R80 PolarHBondContact OE2-NH1 3.25Å; E77-Q81 WeakPolarHBondContact O-CG 3.45Å; E77-Q81 PolarHBondContact O-N 3.43Å
78R95.6Very high92.7Very high104 Ų10478.9 Ų78.939%0.39238%0.38SS..Hα-helixtrans-61.5-41170.5-74.9-178.3-76.7158.5-1.3112.2E60 E74 A75 R80 Q81 N82E60-R78 VanDerWaalsContact CD-CZ 3.45Å; E60-R78 WeakPolarHBondContact OE1-CD 3.17Å; E60-R78 IonicContact OE1-CZ 3.79Å; E60-R78 IonicContact OE1-NE 4Å; E60-R78 IonicContact OE1-NH1 3.13Å; E60-R78 PolarHBondContact OE1-NH1 2.93Å; E60-R78 IonicContact OE2-CZ 3.58Å; E60-R78 IonicContact OE2-NE 2.62Å; E60-R78 IonicContact OE2-NH1 3.89Å; E60-R78 PolarHBondContact OE2-NH1 2.95Å; E60-R78 IonicContact OE2-NH2 2.61Å; E60-R78 PolarHBondContact OE2-NH2 2.85Å; E60-R78 VanDerWaalsContact OE2-NH2 3.08Å; E74-R78 WeakPolarHBondContact O-CG 3.31Å; E74-R78 PolarHBondContact O-N 2.95Å; E74-R78 VanDerWaalsContact O-N 3.12Å; E74-R78 PolarHBondContact O-NE 2.86Å; A75-R78 PolarHBondContact O-N 3.04Å; R78-R80 VanDerWaalsContact C-N 3.31Å; R78-R80 PolarHBondContact O-N 2.71Å; R78-Q81 PolarHBondContact O-N 3.12Å; R78-N82 PolarHBondContact O-N 3.16Å
79A95.4Very high93.3Very high0 Ų078 Ų780%037%0.37CS..Hα-helixtrans-61.3-39.1175.500000112.5A75 I76 E77 N82 R83 T89 T115 I116A75-A79 WeakPolarHBondContact O-CB 3.37Å; A75-A79 PolarHBondContact O-N 3.07Å; I76-A79 WeakPolarHBondContact O-CB 3.44Å; I76-A79 PolarHBondContact O-N 3.08Å; E77-A79 VanDerWaalsContact C-N 3.34Å; E77-A79 PolarHBondContact O-N 3.49Å; A79-N82 PolarHBondContact O-N 3.02Å; A79-R83 WeakPolarHBondContact O-CB 3.12Å; A79-R83 PolarHBondContact O-N 3.07Å; A79-T89 HydrophobicContact CB-CG2 3.71Å; A79-T115 HydrophobicContact CB-CG2 3.99Å; A79-I116 HydrophobicContact CB-CG2 3.45Å; A79-I116 VanDerWaalsContact CB-CG2 3.45Å
80R95Very high93.7Very high103 Ų10374.9 Ų74.939%0.38935%0.351SS..Hα-helixtrans-64.2-44173.7-72.2173.5171.1177.1-6.2112.2I76 E77 R78 N82 R83 N84 H110 T115I76-R80 WeakPolarHBondContact O-CG 3.33Å; I76-R80 PolarHBondContact O-N 2.7Å; E77-R80 WeakPolarHBondContact O-CB 3.15Å; E77-R80 PolarHBondContact O-N 3.49Å; E77-R80 IonicContact OE2-NH1 3.14Å; E77-R80 PolarHBondContact OE2-NH1 3.25Å; R78-R80 VanDerWaalsContact C-N 3.31Å; R78-R80 PolarHBondContact O-N 2.71Å; R80-N82 VanDerWaalsContact C-N 3.33Å; R80-N82 PolarHBondContact O-N 3.01Å; R80-R83 WeakPolarHBondContact O-CB 3.31Å; R80-R83 PolarHBondContact O-N 3.23Å; R80-N84 VanDerWaalsContact O-CG 3.31Å; R80-N84 PolarHBondContact O-N 3.4Å; R80-H110 PolarHBondContact NH2-CE1 3.47Å; R80-T115 HydrophobicContact CG-CG2 3.66Å
81Q94.8Very high94Very high113 Ų11368.6 Ų68.653%0.52832%0.324SS..Hα-helixtrans-61-43.5175.8-69.2172.55.800111.5E77 R78 N84 A85E77-Q81 WeakPolarHBondContact O-CG 3.45Å; E77-Q81 PolarHBondContact O-N 3.43Å; R78-Q81 PolarHBondContact O-N 3.12Å; Q81-N84 PolarHBondContact O-N 3.2Å; Q81-A85 PolarHBondContact O-N 3.04Å
82N93.8Very high94.2Very high14 Ų1465.7 Ų65.78%0.07531%0.31CS..Hα-helixtrans-61.2-44.6175.1-78.3-10.2000112.3D58 R78 A79 R80 N84 A85 G86 R87 T89D58-N82 WeakPolarHBondContact CB-ND2 3.27Å; D58-N82 PolarHBondContact OD2-ND2 3.48Å; D58-N82 VanDerWaalsContact OD2-ND2 3.09Å; D58-N82 PolarHBondContact OD2-OD1 2.6Å; R78-N82 PolarHBondContact O-N 3.16Å; A79-N82 PolarHBondContact O-N 3.02Å; R80-N82 VanDerWaalsContact C-N 3.33Å; R80-N82 PolarHBondContact O-N 3.01Å; N82-N84 VanDerWaalsContact C-N 3.32Å; N82-N84 PolarHBondContact O-N 2.92Å; N82-A85 CarbonylContact O-C 3.58Å; N82-A85 WeakPolarHBondContact O-CA 3.32Å; N82-A85 WeakPolarHBondContact O-CB 3.47Å; N82-A85 PolarHBondContact O-N 3Å; N82-G86 PolarHBondContact O-N 3.18Å; N82-G86 VanDerWaalsContact O-N 3.16Å; N82-R87 CarbonylContact C-O 3.38Å; N82-R87 VanDerWaalsContact C-O 3.28Å; N82-R87 HydrophobicContact CB-CB 4.15Å; N82-R87 PolarHBondContact O-N 3.05Å; N82-R87 PolarHBondContact OD1-NH2 2.79Å; N82-T89 VanDerWaalsContact CB-OG1 3.22Å; N82-T89 WeakPolarHBondContact CB-OG1 3.33Å; N82-T89 PolarHBondContact ND2-OG1 3.17Å
83R91.8Very high94.5Very high118 Ų11865.5 Ų65.545%0.44531%0.309SS..Hα-helixtrans-58.4-44.2175.6-175.9-177.2-179.4166.27.8111.7A79 R80 A85 G86 R87 D113 T115A79-R83 WeakPolarHBondContact O-CB 3.12Å; A79-R83 PolarHBondContact O-N 3.07Å; R80-R83 WeakPolarHBondContact O-CB 3.31Å; R80-R83 PolarHBondContact O-N 3.23Å; R83-A85 PolarHBondContact O-N 3Å; R83-G86 PolarHBondContact O-N 2.86Å; R83-R87 PolarHBondContact N-O 2.88Å; R83-D113 VanDerWaalsContact CZ-O 3.27Å; R83-D113 PolarHBondContact NH1-O 3.48Å; R83-D113 IonicContact NH1-OD1 3.6Å; R83-D113 PolarHBondContact NH2-O 3.17Å; R83-T115 PolarHBondContact NH1-OG1 2.91Å
84N92.4Very high94.6Very high142 Ų14259 Ų5976%0.75929%0.288SS*.Hα-helixtrans-63.5-29.2176.2-68.7-17000112.4R80 Q81 N82 G86R80-N84 VanDerWaalsContact O-CG 3.31Å; R80-N84 PolarHBondContact O-N 3.4Å; Q81-N84 PolarHBondContact O-N 3.2Å; N82-N84 VanDerWaalsContact C-N 3.32Å; N82-N84 PolarHBondContact O-N 2.92Å; N84-G86 VanDerWaalsContact C-N 3.28Å
85A93.1Very high94.5Very high66 Ų6656.8 Ų56.855%0.54528%0.278SS..THydrogen-bonded Turntrans-84.76.8172.800000113.8Q81 N82 R83 R87Q81-A85 PolarHBondContact O-N 3.04Å; N82-A85 CarbonylContact O-C 3.58Å; N82-A85 WeakPolarHBondContact O-CA 3.32Å; N82-A85 WeakPolarHBondContact O-CB 3.47Å; N82-A85 PolarHBondContact O-N 3Å; R83-A85 PolarHBondContact O-N 3Å; A85-R87 VanDerWaalsContact C-N 3.26Å; A85-R87 PolarHBondContact O-N 3.06Å
86G91.4Very high94.5Very high72 Ų7256.8 Ų56.874%0.74228%0.277SS*.THydrogen-bonded Turntrans7411.8-178.800000114.7N82 R83 N84N82-G86 PolarHBondContact O-N 3.18Å; N82-G86 VanDerWaalsContact O-N 3.16Å; R83-G86 PolarHBondContact O-N 2.86Å; N84-G86 VanDerWaalsContact C-N 3.28Å
87R92Very high94.3Very high127 Ų12757 Ų5748%0.47928%0.279SS..  trans-95.9139.5177.9-64.5-172.1-67.3177.40.8110.9D58 N82 R83 A85D58-R87 IonicContact OD2-CZ 3.3Å; D58-R87 VanDerWaalsContact OD2-CZ 3.3Å; D58-R87 IonicContact OD2-NE 3.44Å; D58-R87 PolarHBondContact OD2-NE 2.81Å; D58-R87 IonicContact OD2-NH1 3.28Å; D58-R87 PolarHBondContact OD2-NH1 2.89Å; D58-R87 IonicContact OD2-NH2 3.87Å; N82-R87 CarbonylContact C-O 3.38Å; N82-R87 VanDerWaalsContact C-O 3.28Å; N82-R87 HydrophobicContact CB-CB 4.15Å; N82-R87 PolarHBondContact O-N 3.05Å; N82-R87 PolarHBondContact OD1-NH2 2.79Å; R83-R87 PolarHBondContact N-O 2.88Å; A85-R87 VanDerWaalsContact C-N 3.26Å; A85-R87 PolarHBondContact O-N 3.06Å
88R93.7Very high94.1Very high139 Ų13958.1 Ų58.153%0.52528%0.279SS..EExtended strand (participates in β ladder)trans-80.6146.3174.1-64.8176.8178.8-177.2-1.6109.5G29 A57 D58G29-R88 PolarHBondContact O-NH1 3.05Å; A57-R88 CarbonylContact C-O 3.28Å; A57-R88 VanDerWaalsContact CA-O 3.3Å; A57-R88 WeakPolarHBondContact CA-O 2.89Å; A57-R88 HydrophobicContact CB-CB 3.85Å; D58-R88 PolarHBondContact N-O 2.62Å
89T96.3Very high94Very high5 Ų553.5 Ų53.53%0.03126%0.262CS..EExtended strand (participates in β ladder)trans-124.1128.8177-540000110.7D58 E60 A79 N82 T117D58-T89 CarbonylContact O-C 3.48Å; D58-T89 WeakPolarHBondContact O-CA 3.18Å; E60-T89 HydrophobicContact CB-CG2 4.3Å; E60-T89 HydrophobicContact CG-CG2 3.88Å; A79-T89 HydrophobicContact CB-CG2 3.71Å; N82-T89 VanDerWaalsContact CB-OG1 3.22Å; N82-T89 WeakPolarHBondContact CB-OG1 3.33Å; N82-T89 PolarHBondContact ND2-OG1 3.17Å; T89-T117 PolarHBondContact O-N 2.96Å
90I96.7Very high93.8Very high0 Ų057.7 Ų57.70%028%0.284CS..EExtended strand (participates in β ladder)trans-97.9122.3166.3-67.2176.7000108.1L31 I51 A52 A57 D58 V59 E60 T117 I119L31-I90 HydrophobicContact CD1-CD1 4.09Å; L31-I90 HydrophobicContact CD1-CG1 3.96Å; L31-I90 HydrophobicContact CD2-CD1 3.79Å; L31-I90 HydrophobicContact CD2-CG1 4.41Å; I51-I90 HydrophobicContact CG2-CD1 4.03Å; A52-I90 HydrophobicContact CB-CD1 3.75Å; A57-I90 HydrophobicContact CB-CD1 4.08Å; A57-I90 HydrophobicContact CB-CG1 3.94Å; D58-I90 PolarHBondContact O-N 2.8Å; V59-I90 WeakPolarHBondContact CA-O 3.46Å; E60-I90 PolarHBondContact N-O 3.41Å; I90-T117 CarbonylContact C-O 3.59Å; I90-T117 VanDerWaalsContact CA-O 3.31Å; I90-T117 WeakPolarHBondContact CA-O 3.29Å; I90-I119 HydrophobicContact CD1-CD1 4.35Å; I90-I119 HydrophobicContact CG2-CB 4.35Å; I90-I119 HydrophobicContact CG2-CD1 3.68Å; I90-I119 HydrophobicContact CG2-CG1 3.83Å
91L97Very high93.5Very high0 Ų060.2 Ų60.20%030%0.298CS..EExtended strand (participates in β ladder)trans-92.6105.6168.7-176.464.9000108.7E60 I62 A75 I76 V93 F107 I116 T117 F118 I119E60-L91 HydrophobicContact CB-CD1 3.85Å; E60-L91 CarbonylContact O-C 3.57Å; I62-L91 HydrophobicContact CD1-CD1 3.82Å; I62-L91 HydrophobicContact CG1-CD1 4.02Å; A75-L91 HydrophobicContact CB-CD1 3.82Å; I76-L91 HydrophobicContact CD1-CD2 4.19Å; L91-V93 HydrophobicContact CD2-CG2 4.3Å; L91-V93 HydrophobicContact CG-CG2 4.07Å; L91-F107 HydrophobicContact CD2-CD1 3.64Å; L91-F107 HydrophobicContact CD2-CE1 3.7Å; L91-I116 HydrophobicContact CB-CB 4.08Å; L91-I116 HydrophobicContact CB-CD1 3.94Å; L91-I116 HydrophobicContact CB-CG2 4.07Å; L91-I116 HydrophobicContact CD2-CD1 3.55Å; L91-I116 HydrophobicContact CG-CD1 4.39Å; L91-T117 PolarHBondContact N-O 2.86Å; L91-F118 HydrophobicContact CD2-CD2 4.42Å; L91-I119 PolarHBondContact O-N 3.25Å
92F97Very high93.3Very high6 Ų659.1 Ų59.13%0.02630%0.303CS..EExtended strand (participates in β ladder)trans-92.2116.3175.1-179.6-102.1000110.3T45 A48 V59 E60 R61 I62 D94 I119 A121T45-F92 HydrophobicContact CG2-CE1 3.77Å; T45-F92 HydrophobicContact CG2-CZ 3.95Å; A48-F92 HydrophobicContact CB-CD2 3.37Å; A48-F92 HydrophobicContact CB-CE2 3.62Å; A48-F92 HydrophobicContact CB-CG 4.23Å; V59-F92 HydrophobicContact CG1-CB 4.09Å; E60-F92 PolarHBondContact O-N 2.68Å; R61-F92 WeakPolarHBondContact CA-O 3.43Å; R61-F92 HydrophobicContact CG-CD1 4.46Å; I62-F92 PolarHBondContact N-O 3.43Å; F92-D94 HydrophobicContact CE1-CB 3.77Å; F92-D94 HydrophobicContact CZ-CB 4.32Å; F92-I119 CarbonylContact C-O 3.38Å; F92-I119 WeakPolarHBondContact CA-O 3.34Å; F92-I119 HydrophobicContact CD2-CB 4.1Å; F92-I119 HydrophobicContact CD2-CG2 3.84Å; F92-I119 WeakPolarHBondContact CD2-O 3.39Å; F92-I119 HydrophobicContact CE2-CG2 4.16Å; F92-A121 HydrophobicContact CE2-CB 3.77Å; F92-A121 HydrophobicContact CZ-CB 3.63Å
93V96.4Very high93.2Very high0 Ų059.7 Ų59.70%031%0.305CS..EExtended strand (participates in β ladder)trans-110.1106.4177.3-176.40000109.5I62 A64 L91 V96 F99 F107 F118 I119 G120 A121I62-V93 HydrophobicContact CB-CG2 4.42Å; I62-V93 CarbonylContact O-C 3.5Å; I62-V93 WeakPolarHBondContact O-CA 3.49Å; A64-V93 HydrophobicContact CB-CG1 4.22Å; L91-V93 HydrophobicContact CD2-CG2 4.3Å; L91-V93 HydrophobicContact CG-CG2 4.07Å; V93-V96 HydrophobicContact CB-CB 4.42Å; V93-V96 HydrophobicContact CG1-CB 3.93Å; V93-V96 HydrophobicContact CG1-CG2 4.11Å; V93-F99 HydrophobicContact CG1-CD2 4Å; V93-F99 HydrophobicContact CG1-CE2 3.53Å; V93-F99 HydrophobicContact CG1-CZ 4.47Å; V93-F107 HydrophobicContact CG2-CE1 4.47Å; V93-F107 HydrophobicContact CG2-CZ 4.24Å; V93-F118 HydrophobicContact CB-CE2 4.05Å; V93-F118 HydrophobicContact CB-CZ 4.16Å; V93-F118 HydrophobicContact CG2-CD2 4.28Å; V93-F118 HydrophobicContact CG2-CE2 3.48Å; V93-F118 VanDerWaalsContact CG2-CE2 3.48Å; V93-F118 HydrophobicContact CG2-CZ 4.11Å; V93-I119 PolarHBondContact N-O 2.61Å; V93-G120 CarbonylContact O-C 3.51Å; V93-G120 WeakPolarHBondContact O-CA 3.03Å; V93-A121 PolarHBondContact O-N 3.32Å
94D94.7Very high93.3Very high44 Ų4454.2 Ų54.224%0.23528%0.284CS..EExtended strand (participates in β ladder)trans-79.2144.8175.2-150.510000110.9I62 A64 F92 V96I62-D94 PolarHBondContact O-N 3.2Å; A64-D94 WeakPolarHBondContact CB-O 3.27Å; A64-D94 PolarHBondContact N-O 2.81Å; F92-D94 HydrophobicContact CE1-CB 3.77Å; F92-D94 HydrophobicContact CZ-CB 4.32Å; D94-V96 VanDerWaalsContact C-N 3.26Å; D94-V96 PolarHBondContact O-N 3.12Å
95E93Very high93.3Very high45 Ų4550.7 Ų50.721%0.2127%0.266CS..THydrogen-bonded Turntrans54.137.9-178.1-61.2-69.4121.500113.6A64 V65 H97 R98 A121A64-E95 VanDerWaalsContact CB-O 3.28Å; A64-E95 WeakPolarHBondContact CB-O 3.39Å; V65-E95 HydrophobicContact CG2-CB 3.94Å; V65-E95 HydrophobicContact CG2-CG 4.1Å; E95-H97 PolarHBondContact O-N 2.8Å; E95-H97 IonicContact OE2-CE1 3.61Å; E95-H97 PolarHBondContact OE2-CE1 3.31Å; E95-H97 IonicContact OE2-NE2 3.25Å; E95-H97 PolarHBondContact OE2-NE2 3.45Å; E95-R98 HydrophobicContact CB-CG 4.09Å; E95-R98 WeakPolarHBondContact O-CB 3.42Å; E95-R98 WeakPolarHBondContact O-CG 3.24Å; E95-R98 PolarHBondContact O-N 2.8Å; E95-A121 WeakPolarHBondContact CA-O 3.48Å; E95-A121 PolarHBondContact N-O 3.32Å
96V94Very high93.2Very high0 Ų049.4 Ų49.40%026%0.255CS..G310 helixtrans-51.1-27.9-170.459.70000114.5V93 D94 R98 F99 F118 A121 L130V93-V96 HydrophobicContact CB-CB 4.42Å; V93-V96 HydrophobicContact CG1-CB 3.93Å; V93-V96 HydrophobicContact CG1-CG2 4.11Å; D94-V96 VanDerWaalsContact C-N 3.26Å; D94-V96 PolarHBondContact O-N 3.12Å; V96-R98 PolarHBondContact O-N 3.02Å; V96-R98 VanDerWaalsContact O-N 3.13Å; V96-F99 PolarHBondContact O-N 3.3Å; V96-F99 VanDerWaalsContact O-N 3.16Å; V96-F118 HydrophobicContact CG2-CZ 3.93Å; V96-A121 PolarHBondContact N-O 2.95Å; V96-L130 HydrophobicContact CB-CD2 4.42Å; V96-L130 HydrophobicContact CG1-CD1 4.14Å; V96-L130 HydrophobicContact CG1-CD2 3.95Å; V96-L130 HydrophobicContact CG2-CD2 3.86Å
97H90.2Very high93.3Very high13 Ų1346 Ų466%0.0622%0.22CC..G310 helixtrans-61.1-16.3175.264.8-97.1000114.1E95 F99 T122 E124 E129E95-H97 PolarHBondContact O-N 2.8Å; E95-H97 IonicContact OE2-CE1 3.61Å; E95-H97 PolarHBondContact OE2-CE1 3.31Å; E95-H97 IonicContact OE2-NE2 3.25Å; E95-H97 PolarHBondContact OE2-NE2 3.45Å; H97-F99 VanDerWaalsContact C-N 3.33Å; H97-T122 PolarHBondContact ND1-OG1 3.15Å; H97-E124 HydrophobicContact CB-CB 4.18Å; H97-E124 HydrophobicContact CB-CG 4.34Å; H97-E124 VanDerWaalsContact CD2-CG 3.49Å; H97-E124 WeakPolarHBondContact CD2-CG 3.42Å; H97-E129 HydrophobicContact CB-CB 3.57Å; H97-E129 HydrophobicContact CB-CG 3.99Å
98R92.2Very high93.4Very high110 Ų11040.9 Ų40.942%0.41520%0.202SC..G310 helixtrans-77.4-18.4177.3-63.6-69.2174.3-166.8-10.6113.4A64 V65 E95 V96A64-R98 HydrophobicContact CB-CB 3.96Å; V65-R98 HydrophobicContact CG2-CG 4.12Å; E95-R98 HydrophobicContact CB-CG 4.09Å; E95-R98 WeakPolarHBondContact O-CB 3.42Å; E95-R98 WeakPolarHBondContact O-CG 3.24Å; E95-R98 PolarHBondContact O-N 2.8Å; V96-R98 PolarHBondContact O-N 3.02Å; V96-R98 VanDerWaalsContact O-N 3.13Å
99F92.7Very high93.4Very high6 Ų637.5 Ų37.53%0.02620%0.198CC..SBendtrans-75.3138.2174.7-77.3-28.5000111.9I62 A64 S67 I72 V93 V96 H97 Q103 Q104 F107I62-F99 HydrophobicContact CG2-CE2 4.26Å; I62-F99 HydrophobicContact CG2-CZ 3.8Å; A64-F99 VanDerWaalsContact CA-CE1 3.43Å; A64-F99 HydrophobicContact CB-CD1 3.69Å; A64-F99 HydrophobicContact CB-CD2 3.75Å; A64-F99 HydrophobicContact CB-CE1 3.67Å; A64-F99 HydrophobicContact CB-CE2 3.73Å; A64-F99 HydrophobicContact CB-CG 3.74Å; A64-F99 HydrophobicContact CB-CZ 3.71Å; S67-F99 WeakPolarHBondContact O-CE1 3.48Å; I72-F99 HydrophobicContact CD1-CE1 4.31Å; I72-F99 HydrophobicContact CD1-CE2 4.04Å; I72-F99 HydrophobicContact CD1-CZ 3.87Å; I72-F99 HydrophobicContact CG1-CE2 4.48Å; I72-F99 HydrophobicContact CG1-CZ 4.21Å; V93-F99 HydrophobicContact CG1-CD2 4Å; V93-F99 HydrophobicContact CG1-CE2 3.53Å; V93-F99 HydrophobicContact CG1-CZ 4.47Å; V96-F99 PolarHBondContact O-N 3.3Å; V96-F99 VanDerWaalsContact O-N 3.16Å; H97-F99 VanDerWaalsContact C-N 3.33Å; F99-Q103 HydrophobicContact CB-CB 3.82Å; F99-Q103 HydrophobicContact CD1-CB 4.16Å; F99-Q103 HydrophobicContact CD1-CG 4.45Å; F99-Q103 HydrophobicContact CG-CB 3.96Å; F99-Q104 HydrophobicContact CB-CG 3.99Å; F99-Q104 PolarHBondContact O-NE2 3.2Å; F99-F107 AromaticContact CD2-CE2 3.85Å; F99-F107 HydrophobicContact CD2-CE2 3.85Å; F99-F107 AromaticContact CD2-CZ 3.98Å; F99-F107 HydrophobicContact CD2-CZ 3.98Å; F99-F107 AromaticContact CE2-CE2 3.99Å; F99-F107 HydrophobicContact CE2-CE2 3.99Å; F99-F107 AromaticContact CE2-CZ 3.62Å; F99-F107 HydrophobicContact CE2-CZ 3.62Å
100N90.7Very high93.4Very high89 Ų8938.6 Ų38.648%0.47620%0.202SC..  trans-68.2165.7170.969.846.2000111.3S102 Q103 Q104N100-S102 VanDerWaalsContact C-N 3.28Å; N100-S102 PolarHBondContact O-N 2.88Å; N100-S102 PolarHBondContact OD1-N 2.82Å; N100-S102 VanDerWaalsContact OD1-N 3.13Å; N100-Q103 VanDerWaalsContact CG-OE1 3.25Å; N100-Q103 PolarHBondContact ND2-OE1 2.98Å; N100-Q103 WeakPolarHBondContact O-CB 3.47Å; N100-Q103 PolarHBondContact O-N 3.13Å; N100-Q103 VanDerWaalsContact O-N 3.09Å; N100-Q103 WeakPolarHBondContact OD1-CG 3.42Å; N100-Q103 PolarHBondContact OD1-N 2.76Å; N100-Q104 WeakPolarHBondContact O-CG 3.49Å; N100-Q104 PolarHBondContact O-N 3.46Å
101K89.6Confident93.3Very high155 Ų15539.5 Ų39.567%0.67421%0.207SC*.Hα-helixtrans-55-41.6-176.5-67.5-176.3178.5-179.90113.1Q103 Q104 D105K101-Q103 PolarHBondContact O-N 3.1Å; K101-Q104 WeakPolarHBondContact O-CB 3.39Å; K101-Q104 PolarHBondContact O-N 3.22Å; K101-D105 VanDerWaalsContact O-CG 3.27Å; K101-D105 PolarHBondContact O-N 3.41Å
102S89.7Confident93.1Very high90 Ų9045 Ų4563%0.62923%0.233SC*.Hα-helixtrans-68-34.7-180-54.10000113N100 A106N100-S102 VanDerWaalsContact C-N 3.28Å; N100-S102 PolarHBondContact O-N 2.88Å; N100-S102 PolarHBondContact OD1-N 2.82Å; N100-S102 VanDerWaalsContact OD1-N 3.13Å; S102-A106 PolarHBondContact O-N 3.32Å
103Q92.9Very high93Very high27 Ų2747.9 Ų47.913%0.12625%0.249CC..Hα-helixtrans-68.2-38.5172.9-73.2170.7-51.500111.3V69 I72 F99 N100 K101 A106 F107V69-Q103 HydrophobicContact CG2-CG 4.1Å; I72-Q103 HydrophobicContact CD1-CB 4.32Å; F99-Q103 HydrophobicContact CB-CB 3.82Å; F99-Q103 HydrophobicContact CD1-CB 4.16Å; F99-Q103 HydrophobicContact CD1-CG 4.45Å; F99-Q103 HydrophobicContact CG-CB 3.96Å; N100-Q103 VanDerWaalsContact CG-OE1 3.25Å; N100-Q103 PolarHBondContact ND2-OE1 2.98Å; N100-Q103 WeakPolarHBondContact O-CB 3.47Å; N100-Q103 PolarHBondContact O-N 3.13Å; N100-Q103 VanDerWaalsContact O-N 3.09Å; N100-Q103 WeakPolarHBondContact OD1-CG 3.42Å; N100-Q103 PolarHBondContact OD1-N 2.76Å; K101-Q103 PolarHBondContact O-N 3.1Å; Q103-A106 WeakPolarHBondContact O-CB 3.4Å; Q103-A106 PolarHBondContact O-N 3.24Å; Q103-F107 VanDerWaalsContact O-CE2 3.31Å; Q103-F107 WeakPolarHBondContact O-CE2 3.39Å
104Q93.4Very high92.8Very high2 Ų250.3 Ų50.31%0.00927%0.273CS..Hα-helixtrans-65.5-41.6174.4-63.5177.624.700111.7F99 N100 K101 A106 F107 E129 N131 L134F99-Q104 HydrophobicContact CB-CG 3.99Å; F99-Q104 PolarHBondContact O-NE2 3.2Å; N100-Q104 WeakPolarHBondContact O-CG 3.49Å; N100-Q104 PolarHBondContact O-N 3.46Å; K101-Q104 WeakPolarHBondContact O-CB 3.39Å; K101-Q104 PolarHBondContact O-N 3.22Å; Q104-A106 PolarHBondContact O-N 2.8Å; Q104-F107 VanDerWaalsContact O-CD2 3.29Å; Q104-F107 WeakPolarHBondContact O-CD2 3.39Å; Q104-F107 PolarHBondContact O-N 2.95Å; Q104-E129 PolarHBondContact NE2-O 2.66Å; Q104-N131 WeakPolarHBondContact CB-ND2 3.42Å; Q104-L134 HydrophobicContact CB-CD2 4.45Å
105D92.1Very high92.8Very high69 Ų6948.5 Ų48.537%0.36926%0.264SS..Hα-helixtrans-62.6-27.6177.8-70.7-29.9000112.9K101 F107 L108 N131K101-D105 VanDerWaalsContact O-CG 3.27Å; K101-D105 PolarHBondContact O-N 3.41Å; D105-F107 PolarHBondContact O-N 2.95Å; D105-F107 VanDerWaalsContact O-N 3.14Å; D105-L108 HydrophobicContact CB-CD1 4.23Å; D105-L108 WeakPolarHBondContact O-CG 3.47Å; D105-L108 PolarHBondContact O-N 3.09Å; D105-L108 VanDerWaalsContact O-N 3.11Å; D105-L108 WeakPolarHBondContact OD1-CD1 3.46Å; D105-N131 PolarHBondContact OD1-ND2 2.68Å
106A92.2Very high92.9Very high39 Ų3946.5 Ų46.532%0.32226%0.255SS..THydrogen-bonded Turntrans-62.2-20.6178.900000113.7I72 S102 Q103 Q104 H110I72-A106 HydrophobicContact CG2-CB 4.42Å; S102-A106 PolarHBondContact O-N 3.32Å; Q103-A106 WeakPolarHBondContact O-CB 3.4Å; Q103-A106 PolarHBondContact O-N 3.24Å; Q104-A106 PolarHBondContact O-N 2.8Å; A106-H110 PolarHBondContact O-CD2 3.25Å
107F93.5Very high93Very high0 Ų047.7 Ų47.70%026%0.262CS..THydrogen-bonded Turntrans-83.3-25.4176.9-54.1-61.7000113.2I72 L91 V93 F99 Q103 Q104 D105 H110 I111 F118I72-F107 HydrophobicContact CB-CE1 4.27Å; I72-F107 HydrophobicContact CD1-CE1 4.11Å; I72-F107 HydrophobicContact CD1-CE2 4.5Å; I72-F107 HydrophobicContact CD1-CZ 3.64Å; I72-F107 HydrophobicContact CG1-CE1 3.87Å; I72-F107 HydrophobicContact CG1-CZ 3.81Å; I72-F107 HydrophobicContact CG2-CD1 4.11Å; I72-F107 HydrophobicContact CG2-CE1 3.51Å; I72-F107 HydrophobicContact CG2-CZ 4.17Å; L91-F107 HydrophobicContact CD2-CD1 3.64Å; L91-F107 HydrophobicContact CD2-CE1 3.7Å; V93-F107 HydrophobicContact CG2-CE1 4.47Å; V93-F107 HydrophobicContact CG2-CZ 4.24Å; F99-F107 AromaticContact CD2-CE2 3.85Å; F99-F107 HydrophobicContact CD2-CE2 3.85Å; F99-F107 AromaticContact CD2-CZ 3.98Å; F99-F107 HydrophobicContact CD2-CZ 3.98Å; F99-F107 AromaticContact CE2-CE2 3.99Å; F99-F107 HydrophobicContact CE2-CE2 3.99Å; F99-F107 AromaticContact CE2-CZ 3.62Å; F99-F107 HydrophobicContact CE2-CZ 3.62Å; Q103-F107 VanDerWaalsContact O-CE2 3.31Å; Q103-F107 WeakPolarHBondContact O-CE2 3.39Å; Q104-F107 VanDerWaalsContact O-CD2 3.29Å; Q104-F107 WeakPolarHBondContact O-CD2 3.39Å; Q104-F107 PolarHBondContact O-N 2.95Å; D105-F107 PolarHBondContact O-N 2.95Å; D105-F107 VanDerWaalsContact O-N 3.14Å; F107-H110 PolarHBondContact O-N 2.9Å; F107-H110 VanDerWaalsContact O-N 3.11Å; F107-I111 HydrophobicContact CB-CD1 3.95Å; F107-I111 WeakPolarHBondContact O-CG1 3.39Å; F107-I111 PolarHBondContact O-N 3.04Å; F107-F118 HydrophobicContact CB-CD2 4.43Å; F107-F118 HydrophobicContact CD1-CE2 4.44Å; F107-F118 AromaticContact CD2-CE2 3.9Å; F107-F118 HydrophobicContact CD2-CE2 3.9Å; F107-F118 HydrophobicContact CE2-CE2 4.24Å; F107-F118 HydrophobicContact CG-CD2 4.33Å; F107-F118 HydrophobicContact CG-CE2 4.03Å
108L94.1Very high93.4Very high20 Ų2047 Ų4711%0.10526%0.259CS..Hα-helixtrans-57.6-47.8-166.3-58.4172.1000113.6D105 H110 I111 E112 A133 L134D105-L108 HydrophobicContact CB-CD1 4.23Å; D105-L108 WeakPolarHBondContact O-CG 3.47Å; D105-L108 PolarHBondContact O-N 3.09Å; D105-L108 VanDerWaalsContact O-N 3.11Å; D105-L108 WeakPolarHBondContact OD1-CD1 3.46Å; L108-H110 PolarHBondContact O-N 3.13Å; L108-I111 PolarHBondContact O-N 3.35Å; L108-E112 VanDerWaalsContact O-CG 3.31Å; L108-E112 WeakPolarHBondContact O-CG 3.43Å; L108-E112 PolarHBondContact O-N 2.98Å; L108-A133 HydrophobicContact CD1-CB 3.62Å; L108-A133 HydrophobicContact CD2-CB 4.22Å; L108-L134 HydrophobicContact CD2-CB 4.12Å; L108-L134 HydrophobicContact CD2-CD1 4.1Å
109P93.9Very high93.6Very high67 Ų6741.8 Ų41.844%0.43524%0.239SC..Hα-helixtrans-60.4-34.3-179.1-22.834.9000112.5E112 D113P109-E112 PolarHBondContact O-N 3.21Å; P109-D113 WeakPolarHBondContact O-CB 3.39Å; P109-D113 PolarHBondContact O-N 3.5Å
110H94.5Very high93.8Very high28 Ų2841.5 Ų41.513%0.1324%0.238CC..Hα-helixtrans-82.6-20.9-176.4-52.6-49000113.2I76 R80 A106 F107 L108 D113 T115 I116I76-H110 HydrophobicContact CD1-CB 3.85Å; R80-H110 PolarHBondContact NH2-CE1 3.47Å; A106-H110 PolarHBondContact O-CD2 3.25Å; F107-H110 PolarHBondContact O-N 2.9Å; F107-H110 VanDerWaalsContact O-N 3.11Å; L108-H110 PolarHBondContact O-N 3.13Å; H110-D113 WeakPolarHBondContact CA-OD1 3.37Å; H110-D113 VanDerWaalsContact O-OD1 3.13Å; H110-T115 PolarHBondContact O-N 3.25Å; H110-T115 VanDerWaalsContact O-N 3.07Å; H110-I116 HydrophobicContact CB-CD1 4.11Å; H110-I116 HydrophobicContact CB-CG1 3.83Å; H110-I116 WeakPolarHBondContact O-CG1 3.37Å; H110-I116 PolarHBondContact O-N 2.58Å
111I94.9Very high94.1Very high19 Ų1937.3 Ų37.310%0.09722%0.215CC..Hα-helixtrans-76-43.7168.4-66.4168.6000109.5F107 L108 G114 I116 F118 L134 R137F107-I111 HydrophobicContact CB-CD1 3.95Å; F107-I111 WeakPolarHBondContact O-CG1 3.39Å; F107-I111 PolarHBondContact O-N 3.04Å; L108-I111 PolarHBondContact O-N 3.35Å; I111-G114 PolarHBondContact O-N 2.87Å; I111-I116 HydrophobicContact CG1-CD1 4Å; I111-I116 HydrophobicContact CG1-CG1 4.1Å; I111-F118 HydrophobicContact CD1-CB 3.56Å; I111-F118 HydrophobicContact CD1-CD1 4.39Å; I111-F118 HydrophobicContact CD1-CD2 4.21Å; I111-F118 HydrophobicContact CD1-CG 3.82Å; I111-F118 HydrophobicContact CG1-CB 3.73Å; I111-F118 HydrophobicContact CG1-CG 4.46Å; I111-L134 HydrophobicContact CD1-CD1 3.63Å; I111-R137 HydrophobicContact CG2-CB 4.12Å
112E94.1Very high94.2Very high115 Ų11529.9 Ų29.954%0.53718%0.183SC..Hα-helixtrans-66.6-42.7-178.3-71.3172.517400113L108 P109 G114 R137L108-E112 VanDerWaalsContact O-CG 3.31Å; L108-E112 WeakPolarHBondContact O-CG 3.43Å; L108-E112 PolarHBondContact O-N 2.98Å; P109-E112 PolarHBondContact O-N 3.21Å; E112-G114 VanDerWaalsContact C-N 3.25Å; E112-G114 PolarHBondContact O-N 2.81Å; E112-R137 IonicContact OE1-CZ 3.58Å; E112-R137 IonicContact OE1-NE 2.71Å; E112-R137 PolarHBondContact OE1-NE 3.36Å; E112-R137 IonicContact OE1-NH2 3.44Å; E112-R137 PolarHBondContact OE1-NH2 2.91Å
113D93.5Very high94.2Very high68 Ų6826.5 Ų26.536%0.36416%0.158SC..THydrogen-bonded Turntrans-81.6-2.8-178.274.510.9000114R83 P109 H110 T115R83-D113 VanDerWaalsContact CZ-O 3.27Å; R83-D113 PolarHBondContact NH1-O 3.48Å; R83-D113 IonicContact NH1-OD1 3.6Å; R83-D113 PolarHBondContact NH2-O 3.17Å; P109-D113 WeakPolarHBondContact O-CB 3.39Å; P109-D113 PolarHBondContact O-N 3.5Å; H110-D113 WeakPolarHBondContact CA-OD1 3.37Å; H110-D113 VanDerWaalsContact O-OD1 3.13Å; D113-T115 WeakPolarHBondContact OD1-CB 3.25Å; D113-T115 PolarHBondContact OD1-N 2.93Å; D113-T115 PolarHBondContact OD1-OG1 3.3Å; D113-T115 PolarHBondContact OD2-OG1 2.87Å
114G92.4Very high93.8Very high50 Ų5026.1 Ų26.152%0.51516%0.157SC..THydrogen-bonded Turntrans75.514.7-179.200000115.5I111 E112 I116I111-G114 PolarHBondContact O-N 2.87Å; E112-G114 VanDerWaalsContact C-N 3.25Å; E112-G114 PolarHBondContact O-N 2.81Å; G114-I116 VanDerWaalsContact C-N 3.3Å
115T94.5Very high93.3Very high6 Ų628.4 Ų28.44%0.03717%0.169CC..SBendtrans-64-37.4175.3-630000111.8A79 R80 R83 H110 D113A79-T115 HydrophobicContact CB-CG2 3.99Å; R80-T115 HydrophobicContact CG-CG2 3.66Å; R83-T115 PolarHBondContact NH1-OG1 2.91Å; H110-T115 PolarHBondContact O-N 3.25Å; H110-T115 VanDerWaalsContact O-N 3.07Å; D113-T115 WeakPolarHBondContact OD1-CB 3.25Å; D113-T115 PolarHBondContact OD1-N 2.93Å; D113-T115 PolarHBondContact OD1-OG1 3.3Å; D113-T115 PolarHBondContact OD2-OG1 2.87Å
116I96.1Very high93Very high4 Ų425.2 Ų25.22%0.02115%0.152CC..  trans-128.1145.2175.156.4167.7000111.2I76 A79 L91 H110 I111 G114I76-I116 HydrophobicContact CD1-CD1 3.82Å; I76-I116 HydrophobicContact CD1-CG1 4.41Å; I76-I116 HydrophobicContact CD1-CG2 3.99Å; A79-I116 HydrophobicContact CB-CG2 3.45Å; A79-I116 VanDerWaalsContact CB-CG2 3.45Å; L91-I116 HydrophobicContact CB-CB 4.08Å; L91-I116 HydrophobicContact CB-CD1 3.94Å; L91-I116 HydrophobicContact CB-CG2 4.07Å; L91-I116 HydrophobicContact CD2-CD1 3.55Å; L91-I116 HydrophobicContact CG-CD1 4.39Å; H110-I116 HydrophobicContact CB-CD1 4.11Å; H110-I116 HydrophobicContact CB-CG1 3.83Å; H110-I116 WeakPolarHBondContact O-CG1 3.37Å; H110-I116 PolarHBondContact O-N 2.58Å; I111-I116 HydrophobicContact CG1-CD1 4Å; I111-I116 HydrophobicContact CG1-CG1 4.1Å; G114-I116 VanDerWaalsContact C-N 3.3Å
117T96.4Very high92.6Very high24 Ų2427.4 Ų27.415%0.14717%0.165CC..EExtended strand (participates in β ladder)trans-90.8118153.6-59.70000107.8L31 T89 I90 L91L31-T117 HydrophobicContact CB-CG2 3.87Å; T89-T117 PolarHBondContact O-N 2.96Å; I90-T117 CarbonylContact C-O 3.59Å; I90-T117 VanDerWaalsContact CA-O 3.31Å; I90-T117 WeakPolarHBondContact CA-O 3.29Å; L91-T117 PolarHBondContact N-O 2.86Å
118F97.1Very high92Very high0 Ų035.6 Ų35.60%020%0.201CC..EExtended strand (participates in β ladder)trans-88.3128.9-175.5179.2-93.8000111.7S33 M34 I35 L91 V93 V96 F107 I111 L134S33-F118 CarbonylContact C-O 3.57Å; S33-F118 WeakPolarHBondContact CA-O 3.27Å; S33-F118 PolarHBondContact OG-N 2.72Å; M34-F118 PolarHBondContact N-O 2.97Å; I35-F118 HydrophobicContact CD1-CD1 4.26Å; I35-F118 HydrophobicContact CD1-CE1 3.62Å; L91-F118 HydrophobicContact CD2-CD2 4.42Å; V93-F118 HydrophobicContact CB-CE2 4.05Å; V93-F118 HydrophobicContact CB-CZ 4.16Å; V93-F118 HydrophobicContact CG2-CD2 4.28Å; V93-F118 HydrophobicContact CG2-CE2 3.48Å; V93-F118 VanDerWaalsContact CG2-CE2 3.48Å; V93-F118 HydrophobicContact CG2-CZ 4.11Å; V96-F118 HydrophobicContact CG2-CZ 3.93Å; F107-F118 HydrophobicContact CB-CD2 4.43Å; F107-F118 HydrophobicContact CD1-CE2 4.44Å; F107-F118 AromaticContact CD2-CE2 3.9Å; F107-F118 HydrophobicContact CD2-CE2 3.9Å; F107-F118 HydrophobicContact CE2-CE2 4.24Å; F107-F118 HydrophobicContact CG-CD2 4.33Å; F107-F118 HydrophobicContact CG-CE2 4.03Å; I111-F118 HydrophobicContact CD1-CB 3.56Å; I111-F118 HydrophobicContact CD1-CD1 4.39Å; I111-F118 HydrophobicContact CD1-CD2 4.21Å; I111-F118 HydrophobicContact CD1-CG 3.82Å; I111-F118 HydrophobicContact CG1-CB 3.73Å; I111-F118 HydrophobicContact CG1-CG 4.46Å; F118-L134 HydrophobicContact CD1-CD1 4.24Å; F118-L134 HydrophobicContact CE1-CD1 4.11Å; F118-L134 HydrophobicContact CE1-CD2 4.14Å; F118-L134 HydrophobicContact CE1-CG 4.46Å; F118-L134 HydrophobicContact CZ-CD1 4.46Å; F118-L134 HydrophobicContact CZ-CD2 4.21Å
119I97.5Very high91.6Very high0 Ų038.9 Ų38.90%022%0.216CC..EExtended strand (participates in β ladder)trans-124104.2169.8-56.6-174000108.8M34 L36 A48 I51 I90 L91 F92 V93M34-I119 HydrophobicContact CG-CB 4.43Å; M34-I119 HydrophobicContact CG-CD1 4.43Å; M34-I119 HydrophobicContact CG-CG1 3.97Å; M34-I119 HydrophobicContact CG-CG2 4.09Å; M34-I119 WeakPolarHBondContact O-CA 3.41Å; M34-I119 HydrophobicContact SD-CD1 4.48Å; L36-I119 HydrophobicContact CD1-CG2 3.87Å; L36-I119 HydrophobicContact CG-CG2 4.01Å; A48-I119 HydrophobicContact CB-CD1 4.15Å; A48-I119 HydrophobicContact CB-CG2 3.98Å; I51-I119 HydrophobicContact CD1-CD1 4.24Å; I51-I119 HydrophobicContact CG2-CD1 4.28Å; I90-I119 HydrophobicContact CD1-CD1 4.35Å; I90-I119 HydrophobicContact CG2-CB 4.35Å; I90-I119 HydrophobicContact CG2-CD1 3.68Å; I90-I119 HydrophobicContact CG2-CG1 3.83Å; L91-I119 PolarHBondContact O-N 3.25Å; F92-I119 CarbonylContact C-O 3.38Å; F92-I119 WeakPolarHBondContact CA-O 3.34Å; F92-I119 HydrophobicContact CD2-CB 4.1Å; F92-I119 HydrophobicContact CD2-CG2 3.84Å; F92-I119 WeakPolarHBondContact CD2-O 3.39Å; F92-I119 HydrophobicContact CE2-CG2 4.16Å; V93-I119 PolarHBondContact N-O 2.61Å
120G96.7Very high91.3Very high0 Ų036.1 Ų36.10%020%0.197CC..EExtended strand (participates in β ladder)trans-92129.717400000111.2M34 I35 L36 V93M34-G120 PolarHBondContact O-N 2.97Å; I35-G120 CarbonylContact C-O 3.2Å; I35-G120 VanDerWaalsContact CA-O 3.29Å; I35-G120 WeakPolarHBondContact CA-O 3.47Å; L36-G120 PolarHBondContact N-O 2.92Å; V93-G120 CarbonylContact O-C 3.51Å; V93-G120 WeakPolarHBondContact O-CA 3.03Å
121A96.2Very high91.1Very high0 Ų035.6 Ų35.60%020%0.195CC..EExtended strand (participates in β ladder)trans-105.5134.1171.700000110.7L36 K44 F92 V93 E95 V96L36-A121 WeakPolarHBondContact O-CA 3.33Å; K44-A121 HydrophobicContact CB-CB 4.06Å; K44-A121 HydrophobicContact CD-CB 4.12Å; F92-A121 HydrophobicContact CE2-CB 3.77Å; F92-A121 HydrophobicContact CZ-CB 3.63Å; V93-A121 PolarHBondContact O-N 3.32Å; E95-A121 WeakPolarHBondContact CA-O 3.48Å; E95-A121 PolarHBondContact N-O 3.32Å; V96-A121 PolarHBondContact N-O 2.95Å
122T92.5Very high90.9Very high0 Ų039.5 Ų39.50%022%0.224CC..EExtended strand (participates in β ladder)trans-146.8147.1179.4-175.80000112.1I35 L36 W37 G38 H97 E124 P126I35-T122 HydrophobicContact CG2-CG2 3.88Å; L36-T122 PolarHBondContact O-N 3.11Å; W37-T122 WeakPolarHBondContact CA-O 3.38Å; W37-T122 HydrophobicContact CB-CG2 4.01Å; W37-T122 HydrophobicContact CG-CG2 4.29Å; G38-T122 PolarHBondContact N-O 2.93Å; H97-T122 PolarHBondContact ND1-OG1 3.15Å; T122-E124 WeakPolarHBondContact CG2-O 3.48Å; T122-E124 PolarHBondContact OG1-N 3.44Å; T122-E124 PolarHBondContact OG1-O 2.92Å; T122-E124 VanDerWaalsContact OG1-O 3.09Å; T122-P126 HydrophobicContact CG2-CB 4.44Å
123T89.1Confident90.8Very high18 Ų1835.3 Ų35.311%0.1121%0.21CC..SBendtrans-93.4-24165.152.40000112.2W37W37-T123 PolarHBondContact NE1-O 3.2Å
124E84.2Confident90.8Very high19 Ų1932.1 Ų32.19%0.08919%0.192CC..SBendtrans-83.5152.7179.1-56.1-67.5165.400111.3W37 H97 T122 P126 E129 Y237W37-E124 PolarHBondContact NE1-O 3.41Å; H97-E124 HydrophobicContact CB-CB 4.18Å; H97-E124 HydrophobicContact CB-CG 4.34Å; H97-E124 VanDerWaalsContact CD2-CG 3.49Å; H97-E124 WeakPolarHBondContact CD2-CG 3.42Å; T122-E124 WeakPolarHBondContact CG2-O 3.48Å; T122-E124 PolarHBondContact OG1-N 3.44Å; T122-E124 PolarHBondContact OG1-O 2.92Å; T122-E124 VanDerWaalsContact OG1-O 3.09Å; E124-P126 WeakPolarHBondContact O-CD 3.46Å; E124-P126 VanDerWaalsContact O-N 3.17Å; E124-E129 HydrophobicContact CB-CG 3.78Å; E124-E129 HydrophobicContact CG-CG 4.45Å; E124-Y237 WeakPolarHBondContact OE2-CE2 3.36Å; E124-Y237 PolarHBondContact OE2-OH 3.35Å
125N84.3Confident90.9Very high51 Ų5131.9 Ų31.927%0.27318%0.179SC..  trans-62.6116178.5-178.6-25.8000110.7W37 S127 F128 E129W37-N125 HydrophobicContact CH2-CB 4.24Å; W37-N125 HydrophobicContact CZ2-CB 3.81Å; N125-S127 PolarHBondContact O-N 3Å; N125-S127 VanDerWaalsContact O-N 3.1Å; N125-S127 WeakPolarHBondContact OD1-CB 3.33Å; N125-S127 PolarHBondContact OD1-N 3.33Å; N125-S127 PolarHBondContact OD1-OG 2.98Å; N125-S127 VanDerWaalsContact OD1-OG 3.05Å; N125-F128 HydrophobicContact CB-CD2 3.98Å; N125-F128 HydrophobicContact CB-CE2 4.49Å; N125-F128 PolarHBondContact O-N 3.28Å; N125-E129 PolarHBondContact O-N 3.08Å
126P86.2Confident90.8Very high2 Ų236.2 Ų36.21%0.01321%0.209CC..Hα-helixtrans-66.4-20-171.327.3-35.5000113.1I35 W37 T122 E124 F128 L130 L135 V140I35-P126 HydrophobicContact CG2-CB 4.21Å; W37-P126 HydrophobicContact CB-CG 4.36Å; W37-P126 VanDerWaalsContact CD2-CD 3.4Å; W37-P126 HydrophobicContact CD2-CG 4.18Å; W37-P126 HydrophobicContact CE3-CG 4.04Å; W37-P126 HydrophobicContact CG-CG 4.31Å; T122-P126 HydrophobicContact CG2-CB 4.44Å; E124-P126 WeakPolarHBondContact O-CD 3.46Å; E124-P126 VanDerWaalsContact O-N 3.17Å; P126-F128 PolarHBondContact O-N 3.37Å; P126-L130 HydrophobicContact CB-CD1 3.77Å; P126-L130 HydrophobicContact CB-CG 4.12Å; P126-L130 VanDerWaalsContact O-CB 3.3Å; P126-L130 WeakPolarHBondContact O-CB 3.34Å; P126-L130 PolarHBondContact O-N 2.64Å; P126-L135 HydrophobicContact CB-CD2 4.1Å; P126-V140 HydrophobicContact CG-CG1 3.88Å; P126-V140 HydrophobicContact CG-CG2 4.49Å
127S83.1Confident90.7Very high84 Ų8440.6 Ų40.659%0.58723%0.226SC*.Hα-helixtrans-68.7-21.4-179.6-44.10000113.4N125N125-S127 PolarHBondContact O-N 3Å; N125-S127 VanDerWaalsContact O-N 3.1Å; N125-S127 WeakPolarHBondContact OD1-CB 3.33Å; N125-S127 PolarHBondContact OD1-N 3.33Å; N125-S127 PolarHBondContact OD1-OG 2.98Å; N125-S127 VanDerWaalsContact OD1-OG 3.05Å
128F80.2Confident90.6Very high173 Ų17339.8 Ų39.876%0.75922%0.221SC*.Hα-helixtrans-101.9-37.3178.8-62.3-68.8000112.2N125 P126N125-F128 HydrophobicContact CB-CD2 3.98Å; N125-F128 HydrophobicContact CB-CE2 4.49Å; N125-F128 PolarHBondContact O-N 3.28Å; P126-F128 PolarHBondContact O-N 3.37Å
129E86.2Confident90.4Very high88 Ų8847.1 Ų47.141%0.41125%0.249SC..Hα-helixtrans-94.8-23.9-171.5-59.5-56.7142.300114.1H97 Q104 E124 N125H97-E129 HydrophobicContact CB-CB 3.57Å; H97-E129 HydrophobicContact CB-CG 3.99Å; Q104-E129 PolarHBondContact NE2-O 2.66Å; E124-E129 HydrophobicContact CB-CG 3.78Å; E124-E129 HydrophobicContact CG-CG 4.45Å; N125-E129 PolarHBondContact O-N 3.08Å
130L88.3Confident90.3Very high10 Ų1050.3 Ų50.35%0.05227%0.268CS..SBendtrans-101.6143.9178.6-55.7-175.6000111.2I35 V96 P126 L134 L135I35-L130 HydrophobicContact CD1-CD1 3.74Å; I35-L130 HydrophobicContact CG1-CD1 3.98Å; I35-L130 HydrophobicContact CG2-CD1 4.09Å; V96-L130 HydrophobicContact CB-CD2 4.42Å; V96-L130 HydrophobicContact CG1-CD1 4.14Å; V96-L130 HydrophobicContact CG1-CD2 3.95Å; V96-L130 HydrophobicContact CG2-CD2 3.86Å; P126-L130 HydrophobicContact CB-CD1 3.77Å; P126-L130 HydrophobicContact CB-CG 4.12Å; P126-L130 VanDerWaalsContact O-CB 3.3Å; P126-L130 WeakPolarHBondContact O-CB 3.34Å; P126-L130 PolarHBondContact O-N 2.64Å; L130-L134 HydrophobicContact CD1-CD2 4.49Å; L130-L135 HydrophobicContact CB-CD1 4.45Å; L130-L135 HydrophobicContact CB-CD2 4.18Å; L130-L135 HydrophobicContact CB-CG 4.13Å; L130-L135 HydrophobicContact CD1-CD2 4.22Å
131N89.4Confident90.3Very high17 Ų1751.7 Ų51.79%0.09127%0.274CS..  trans-69.5151.9176.975.633.7000111.4Q104 D105 A133 L134 L135Q104-N131 WeakPolarHBondContact CB-ND2 3.42Å; D105-N131 PolarHBondContact OD1-ND2 2.68Å; N131-A133 PolarHBondContact O-N 3.2Å; N131-A133 PolarHBondContact OD1-N 3.11Å; N131-L134 PolarHBondContact O-N 2.8Å; N131-L134 WeakPolarHBondContact OD1-CB 3.29Å; N131-L134 PolarHBondContact OD1-N 2.86Å; N131-L135 WeakPolarHBondContact O-CG 3.44Å; N131-L135 PolarHBondContact O-N 3.49Å
132S90.9Very high90.1Very high100 Ų10055.3 Ų55.370%0.69929%0.293SS*.Hα-helixtrans-64.2-29.1-176.453.40000112.9L135 S136S132-L135 PolarHBondContact O-N 2.88Å; S132-S136 WeakPolarHBondContact O-CB 3.5Å; S132-S136 PolarHBondContact O-N 2.89Å
133A92.5Very high90.2Very high28 Ų2855.4 Ų55.423%0.23129%0.293CS..Hα-helixtrans-66.8-41179.500000112.3L108 N131 S136 R137L108-A133 HydrophobicContact CD1-CB 3.62Å; L108-A133 HydrophobicContact CD2-CB 4.22Å; N131-A133 PolarHBondContact O-N 3.2Å; N131-A133 PolarHBondContact OD1-N 3.11Å; A133-S136 PolarHBondContact O-N 3.11Å; A133-R137 PolarHBondContact O-NH1 3.31Å
134L93.2Very high90.3Very high0 Ų060 Ų600%031%0.312CS..Hα-helixtrans-69.4-44.9175.5-173.863.8000110.8Q104 L108 I111 F118 L130 N131 S136 R137 A138Q104-L134 HydrophobicContact CB-CD2 4.45Å; L108-L134 HydrophobicContact CD2-CB 4.12Å; L108-L134 HydrophobicContact CD2-CD1 4.1Å; I111-L134 HydrophobicContact CD1-CD1 3.63Å; F118-L134 HydrophobicContact CD1-CD1 4.24Å; F118-L134 HydrophobicContact CE1-CD1 4.11Å; F118-L134 HydrophobicContact CE1-CD2 4.14Å; F118-L134 HydrophobicContact CE1-CG 4.46Å; F118-L134 HydrophobicContact CZ-CD1 4.46Å; F118-L134 HydrophobicContact CZ-CD2 4.21Å; L130-L134 HydrophobicContact CD1-CD2 4.49Å; N131-L134 PolarHBondContact O-N 2.8Å; N131-L134 WeakPolarHBondContact OD1-CB 3.29Å; N131-L134 PolarHBondContact OD1-N 2.86Å; L134-S136 PolarHBondContact O-N 3.13Å; L134-R137 PolarHBondContact O-N 3.32Å; L134-A138 PolarHBondContact O-N 2.91Å
135L93.5Very high90.6Very high45 Ų4562.3 Ų62.324%0.23633%0.33CS..Hα-helixtrans-61.1-32.6175.7-68.4176.3000112.8P126 L130 N131 S132 R137 V140P126-L135 HydrophobicContact CB-CD2 4.1Å; L130-L135 HydrophobicContact CB-CD1 4.45Å; L130-L135 HydrophobicContact CB-CD2 4.18Å; L130-L135 HydrophobicContact CB-CG 4.13Å; L130-L135 HydrophobicContact CD1-CD2 4.22Å; N131-L135 WeakPolarHBondContact O-CG 3.44Å; N131-L135 PolarHBondContact O-N 3.49Å; S132-L135 PolarHBondContact O-N 2.88Å; L135-R137 PolarHBondContact O-N 3.02Å; L135-V140 HydrophobicContact CD2-CG2 3.93Å
136S93.5Very high91Very high97 Ų9760.4 Ų60.468%0.67832%0.32SS*.THydrogen-bonded Turntrans-68.7-18.1175.8-175.90000113.6S132 A133 L134S132-S136 WeakPolarHBondContact O-CB 3.5Å; S132-S136 PolarHBondContact O-N 2.89Å; A133-S136 PolarHBondContact O-N 3.11Å; L134-S136 PolarHBondContact O-N 3.13Å
137R93.2Very high91.3Very high96 Ų9662.5 Ų62.536%0.36234%0.335SS..THydrogen-bonded Turntrans-112.4-8.4-176.1-70.5162.6-177.266.33.3113.4I111 E112 A133 L134 L135I111-R137 HydrophobicContact CG2-CB 4.12Å; E112-R137 IonicContact OE1-CZ 3.58Å; E112-R137 IonicContact OE1-NE 2.71Å; E112-R137 PolarHBondContact OE1-NE 3.36Å; E112-R137 IonicContact OE1-NH2 3.44Å; E112-R137 PolarHBondContact OE1-NH2 2.91Å; A133-R137 PolarHBondContact O-NH1 3.31Å; L134-R137 PolarHBondContact O-N 3.32Å; L135-R137 PolarHBondContact O-N 3.02Å
138A93.9Very high91.8Very high7 Ų760.4 Ų60.46%0.05832%0.318CS..SBendtrans-123.5135.4-179.500000110.9S33 I35 L134S33-A138 WeakPolarHBondContact O-CA 3.38Å; I35-A138 HydrophobicContact CD1-CB 4.21Å; I35-A138 HydrophobicContact CG1-CB 4Å; L134-A138 PolarHBondContact O-N 2.91Å
139R94.3Very high92.6Very high155 Ų15556.4 Ų56.459%0.58530%0.302SS*.EExtended strand (participates in β ladder)trans-79.1131173-67.6-173.9178.2174.9-1.1110.4S33 M34 I35 Y141S33-R139 PolarHBondContact O-N 3.2Å; M34-R139 CarbonylContact C-O 3.6Å; M34-R139 WeakPolarHBondContact CA-O 3.46Å; M34-R139 VanDerWaalsContact CB-O 3.27Å; M34-R139 WeakPolarHBondContact CB-O 3.22Å; I35-R139 PolarHBondContact N-O 3.32Å; R139-Y141 HydrophobicContact CB-CE2 3.78Å
140V95Very high93.1Very high66 Ų6653.7 Ų53.740%0.429%0.29SS..EExtended strand (participates in β ladder)trans-88.2125.2176.8-1750000110.1I35 W37 P126 L135I35-V140 HydrophobicContact CB-CG2 4.2Å; I35-V140 HydrophobicContact CG1-CG2 4.39Å; W37-V140 HydrophobicContact CB-CG1 4.43Å; W37-V140 HydrophobicContact CE3-CG1 4.39Å; P126-V140 HydrophobicContact CG-CG1 3.88Å; P126-V140 HydrophobicContact CG-CG2 4.49Å; L135-V140 HydrophobicContact CD2-CG2 3.93Å
141Y95.9Very high93.5Very high30 Ų3053.2 Ų53.212%0.11829%0.288CS..EExtended strand (participates in β ladder)trans-115.9118.9173.9-66.8-76.9000110.1L15 L22 H32 M34 I35 L36 W37 R139L15-Y141 HydrophobicContact CD1-CD1 4.36Å; L15-Y141 HydrophobicContact CD2-CD1 3.93Å; L22-Y141 HydrophobicContact CB-CE1 4.36Å; L22-Y141 HydrophobicContact CD1-CE1 4.35Å; L22-Y141 HydrophobicContact CD1-CE2 4.32Å; L22-Y141 HydrophobicContact CD2-CD1 4.01Å; L22-Y141 HydrophobicContact CD2-CE1 4.02Å; L22-Y141 HydrophobicContact CD2-CG 4.36Å; L22-Y141 HydrophobicContact CG-CE1 4.49Å; H32-Y141 PolarHBondContact CE1-OH 3.02Å; H32-Y141 AromaticContact NE2-CE2 3.42Å; H32-Y141 WeakPolarHBondContact NE2-CE2 3.49Å; H32-Y141 AromaticContact NE2-CZ 3.57Å; H32-Y141 PolarHBondContact NE2-OH 3.09Å; M34-Y141 HydrophobicContact CB-CD2 3.83Å; M34-Y141 HydrophobicContact CB-CE2 3.81Å; M34-Y141 HydrophobicContact CG-CD2 4.44Å; M34-Y141 HydrophobicContact SD-CD2 4.05Å; M34-Y141 HydrophobicContact SD-CE2 4.09Å; I35-Y141 PolarHBondContact O-N 3.49Å; L36-Y141 HydrophobicContact CD2-CD2 4.42Å; W37-Y141 PolarHBondContact N-O 3.4Å; R139-Y141 HydrophobicContact CB-CE2 3.78Å
142L93.2Very high93.9Very high76 Ų7654 Ų5440%0.39829%0.291SS..EExtended strand (participates in β ladder)trans-84.4112.7176.3177.865.4000110.6H14 L15 W37H14-L142 PolarHBondContact NE2-O 2.81Å; L15-L142 WeakPolarHBondContact CD1-O 3.34Å; W37-L142 HydrophobicContact CD2-CD1 3.91Å; W37-L142 HydrophobicContact CE3-CD1 3.84Å; W37-L142 HydrophobicContact CG-CD1 4.4Å; W37-L142 HydrophobicContact CZ3-CD1 4.2Å; W37-L142 CarbonylContact O-C 3.28Å; W37-L142 WeakPolarHBondContact O-CA 3.26Å
143L94.8Very high94.2Very high1 Ų154.4 Ų54.41%0.00528%0.281CS..PPolyproline II helixtrans-86.4124.4167.7-74.477.3000109Y9 Q12 L36 W37 G38 P39 K44Y9-L143 WeakPolarHBondContact OH-CD2 3.29Å; Q12-L143 HydrophobicContact CG-CG 4.4Å; Q12-L143 VanDerWaalsContact OE1-CA 3.24Å; L36-L143 HydrophobicContact CB-CD1 4.02Å; L36-L143 HydrophobicContact CD2-CD1 4.13Å; W37-L143 PolarHBondContact O-N 2.85Å; G38-L143 WeakPolarHBondContact CA-O 3.3Å; P39-L143 WeakPolarHBondContact CD-O 3.41Å; K44-L143 HydrophobicContact CG-CD2 3.92Å
144K91.3Very high94.4Very high115 Ų11553.7 Ų53.750%0.528%0.275SS..PPolyproline II helixtrans-86.4158177.9-64.9179.9-178.1-177.30110.2Q12 T42Q12-K144 PolarHBondContact NE2-O 2.97Å; T42-K144 VanDerWaalsContact CG2-O 3.29Å; T42-K144 WeakPolarHBondContact CG2-O 3.26Å
145S89.5Confident94.6Very high67 Ų6753.7 Ų53.747%0.46928%0.275SS..PPolyproline II helixtrans-54.6141.1164.3-58.30000110.1
146L93.4Very high94.8Very high11 Ų1153.6 Ų53.66%0.05828%0.276CS..PPolyproline II helixtrans-69.5143.9177-62.5176.5000109.9D150 I151 G187 A189L146-D150 HydrophobicContact CB-CB 3.82Å; L146-D150 HydrophobicContact CD2-CB 4.19Å; L146-D150 HydrophobicContact CG-CB 4.49Å; L146-I151 HydrophobicContact CB-CD1 3.85Å; L146-I151 HydrophobicContact CB-CG1 4.09Å; L146-I151 HydrophobicContact CD1-CD1 3.71Å; L146-I151 HydrophobicContact CG-CD1 4.42Å; L146-G187 WeakPolarHBondContact CB-O 3.34Å; L146-G187 PolarHBondContact N-O 3.05Å; L146-G187 WeakPolarHBondContact O-CA 3.37Å; L146-A189 HydrophobicContact CD1-CB 3.61Å
147S93Very high94.9Very high47 Ų4750.9 Ų50.933%0.32925%0.252SS..PPolyproline II helixtrans-70.6167.2172.986.10000110.8E149 D150 I151S147-E149 WeakPolarHBondContact CB-OE2 3.21Å; S147-E149 PolarHBondContact O-N 2.77Å; S147-E149 PolarHBondContact OG-N 2.92Å; S147-E149 PolarHBondContact OG-OE2 2.99Å; S147-D150 PolarHBondContact N-OD2 3.42Å; S147-D150 VanDerWaalsContact N-OD2 3.09Å; S147-D150 WeakPolarHBondContact O-CB 3.39Å; S147-D150 PolarHBondContact O-N 3.29Å; S147-D150 PolarHBondContact OG-N 3.08Å; S147-D150 VanDerWaalsContact OG-N 3.13Å; S147-I151 WeakPolarHBondContact O-CG1 3.32Å; S147-I151 PolarHBondContact O-N 2.97Å
148T92.8Very high95.1Very high40 Ų4046.3 Ų46.325%0.24524%0.235CC..Hα-helixtrans-57.4-41.7173.6-50.90000110.4D150 I151 E152 A182 E183T148-D150 PolarHBondContact O-N 3.36Å; T148-I151 PolarHBondContact O-N 3.34Å; T148-E152 WeakPolarHBondContact O-CG 3.42Å; T148-E152 PolarHBondContact O-N 3.42Å; T148-A182 HydrophobicContact CG2-CB 3.54Å; T148-E183 HydrophobicContact CG2-CG 3.9Å
149E96.4Very high95.2Very high89 Ų8947.5 Ų47.542%0.41624%0.24SC..Hα-helixtrans-64.7-39.9178-59.565.9-139.800112S147 I151 E152 Q153 R179S147-E149 WeakPolarHBondContact CB-OE2 3.21Å; S147-E149 PolarHBondContact O-N 2.77Å; S147-E149 PolarHBondContact OG-N 2.92Å; S147-E149 PolarHBondContact OG-OE2 2.99Å; E149-I151 VanDerWaalsContact C-N 3.32Å; E149-I151 PolarHBondContact O-N 3.01Å; E149-E152 PolarHBondContact O-N 3.3Å; E149-Q153 WeakPolarHBondContact O-CG 3.18Å; E149-Q153 PolarHBondContact O-N 2.87Å; E149-R179 IonicContact OE1-CZ 2.99Å; E149-R179 IonicContact OE1-NH1 2.74Å; E149-R179 PolarHBondContact OE1-NH1 2.74Å; E149-R179 IonicContact OE1-NH2 3.7Å; E149-R179 PolarHBondContact OE1-NH2 2.74Å
150D96.7Very high95.3Very high30 Ų3046.8 Ų46.816%0.1624%0.243CC..Hα-helixtrans-60.8-42.5173.1-73.2-34.3000110.8I10 G11 L146 S147 T148 Q153 V154I10-D150 HydrophobicContact CG2-CB 4.02Å; I10-D150 VanDerWaalsContact CG2-O 3.27Å; I10-D150 WeakPolarHBondContact CG2-O 3.49Å; G11-D150 WeakPolarHBondContact CA-OD1 3.35Å; L146-D150 HydrophobicContact CB-CB 3.82Å; L146-D150 HydrophobicContact CD2-CB 4.19Å; L146-D150 HydrophobicContact CG-CB 4.49Å; S147-D150 PolarHBondContact N-OD2 3.42Å; S147-D150 VanDerWaalsContact N-OD2 3.09Å; S147-D150 WeakPolarHBondContact O-CB 3.39Å; S147-D150 PolarHBondContact O-N 3.29Å; S147-D150 PolarHBondContact OG-N 3.08Å; S147-D150 VanDerWaalsContact OG-N 3.13Å; T148-D150 PolarHBondContact O-N 3.36Å; D150-Q153 WeakPolarHBondContact O-CB 3.34Å; D150-Q153 PolarHBondContact O-N 2.88Å; D150-V154 WeakPolarHBondContact O-CG2 3.42Å; D150-V154 PolarHBondContact O-N 3.44Å
151I97Very high95.3Very high0 Ų044.8 Ų44.80%023%0.23CC..Hα-helixtrans-67.6-40.4178.1-62.4-66.7000111.4L146 S147 T148 E149 Q153 V154 L155 A182 V185 A189 A192L146-I151 HydrophobicContact CB-CD1 3.85Å; L146-I151 HydrophobicContact CB-CG1 4.09Å; L146-I151 HydrophobicContact CD1-CD1 3.71Å; L146-I151 HydrophobicContact CG-CD1 4.42Å; S147-I151 WeakPolarHBondContact O-CG1 3.32Å; S147-I151 PolarHBondContact O-N 2.97Å; T148-I151 PolarHBondContact O-N 3.34Å; E149-I151 VanDerWaalsContact C-N 3.32Å; E149-I151 PolarHBondContact O-N 3.01Å; I151-Q153 VanDerWaalsContact C-N 3.28Å; I151-Q153 PolarHBondContact O-N 2.97Å; I151-V154 WeakPolarHBondContact O-CB 3.45Å; I151-V154 PolarHBondContact O-N 2.93Å; I151-V154 VanDerWaalsContact O-N 3.1Å; I151-L155 HydrophobicContact CG2-CD1 4.23Å; I151-L155 HydrophobicContact CG2-CG 4.45Å; I151-L155 WeakPolarHBondContact O-CG 3.39Å; I151-L155 PolarHBondContact O-N 3.44Å; I151-A182 HydrophobicContact CB-CB 3.88Å; I151-A182 HydrophobicContact CG2-CB 3.71Å; I151-V185 HydrophobicContact CD1-CG2 4.31Å; I151-V185 HydrophobicContact CG1-CG2 4.25Å; I151-V185 HydrophobicContact CG2-CG2 3.88Å; I151-A189 HydrophobicContact CD1-CB 4.1Å; I151-A192 HydrophobicContact CG2-CB 3.6Å
152E97.6Very high95.2Very high34 Ų3451.6 Ų51.616%0.15926%0.26CS..Hα-helixtrans-58.6-42.6173.6-69.1-174.6122.200111.1T148 E149 V154 L155 T156 R178 R179 A182T148-E152 WeakPolarHBondContact O-CG 3.42Å; T148-E152 PolarHBondContact O-N 3.42Å; E149-E152 PolarHBondContact O-N 3.3Å; E152-V154 VanDerWaalsContact C-N 3.34Å; E152-V154 PolarHBondContact O-N 3.45Å; E152-L155 PolarHBondContact O-N 3.45Å; E152-T156 PolarHBondContact O-N 3.37Å; E152-T156 PolarHBondContact O-OG1 3.35Å; E152-T156 VanDerWaalsContact O-OG1 3.07Å; E152-R178 HydrophobicContact CB-CG 4.31Å; E152-R178 HydrophobicContact CG-CG 4.19Å; E152-R179 WeakPolarHBondContact OE1-CA 3.33Å; E152-R179 WeakPolarHBondContact OE1-CB 3.46Å; E152-R179 WeakPolarHBondContact OE1-CD 3.41Å; E152-R179 IonicContact OE2-CZ 3.04Å; E152-R179 IonicContact OE2-NH1 3.61Å; E152-R179 PolarHBondContact OE2-NH1 2.81Å; E152-A182 HydrophobicContact CG-CB 3.76Å
153Q97Very high95.2Very high108 Ų10853.7 Ų53.751%0.50528%0.277SS..Hα-helixtrans-62-39.2173.6-72176.215.800112.4I10 E149 D150 I151 L155 T156 Q157I10-Q153 HydrophobicContact CD1-CB 4.01Å; I10-Q153 HydrophobicContact CG2-CB 3.89Å; E149-Q153 WeakPolarHBondContact O-CG 3.18Å; E149-Q153 PolarHBondContact O-N 2.87Å; D150-Q153 WeakPolarHBondContact O-CB 3.34Å; D150-Q153 PolarHBondContact O-N 2.88Å; I151-Q153 VanDerWaalsContact C-N 3.28Å; I151-Q153 PolarHBondContact O-N 2.97Å; Q153-L155 VanDerWaalsContact C-N 3.32Å; Q153-L155 PolarHBondContact O-N 3.44Å; Q153-T156 PolarHBondContact O-N 3.24Å; Q153-Q157 WeakPolarHBondContact O-CB 3.5Å; Q153-Q157 PolarHBondContact O-N 3.49Å
154V97.2Very high95.1Very high14 Ų1456.6 Ų56.69%0.08529%0.288CS..Hα-helixtrans-61.1-43.5175.4168.80000110.9I10 D150 I151 E152 Q157 A158 A189 L193I10-V154 HydrophobicContact CB-CG2 3.83Å; I10-V154 HydrophobicContact CD1-CB 4.32Å; I10-V154 HydrophobicContact CD1-CG2 3.79Å; I10-V154 HydrophobicContact CG1-CG2 4.41Å; I10-V154 HydrophobicContact CG2-CG2 3.95Å; D150-V154 WeakPolarHBondContact O-CG2 3.42Å; D150-V154 PolarHBondContact O-N 3.44Å; I151-V154 WeakPolarHBondContact O-CB 3.45Å; I151-V154 PolarHBondContact O-N 2.93Å; I151-V154 VanDerWaalsContact O-N 3.1Å; E152-V154 VanDerWaalsContact C-N 3.34Å; E152-V154 PolarHBondContact O-N 3.45Å; V154-Q157 PolarHBondContact O-N 3.02Å; V154-A158 PolarHBondContact O-N 2.9Å; V154-A158 VanDerWaalsContact O-N 3.08Å; V154-A189 HydrophobicContact CG1-CB 4.15Å; V154-A189 HydrophobicContact CG2-CB 4.21Å; V154-L193 HydrophobicContact CG1-CD1 4.18Å; V154-L193 HydrophobicContact CG1-CD2 3.92Å; V154-L193 HydrophobicContact CG1-CG 3.93Å
155L97.6Very high95.2Very high0 Ų051.9 Ų51.90%027%0.271CS..Hα-helixtrans-66.2-44.3177.5-67.2170.7000111.1I151 E152 Q153 Q157 A158 M159 L173 R178 I181 A192 L196I151-L155 HydrophobicContact CG2-CD1 4.23Å; I151-L155 HydrophobicContact CG2-CG 4.45Å; I151-L155 WeakPolarHBondContact O-CG 3.39Å; I151-L155 PolarHBondContact O-N 3.44Å; E152-L155 PolarHBondContact O-N 3.45Å; Q153-L155 VanDerWaalsContact C-N 3.32Å; Q153-L155 PolarHBondContact O-N 3.44Å; L155-Q157 PolarHBondContact O-N 3.22Å; L155-A158 WeakPolarHBondContact O-CB 3.44Å; L155-A158 PolarHBondContact O-N 3.5Å; L155-A158 VanDerWaalsContact O-N 3.1Å; L155-M159 WeakPolarHBondContact O-CG 3.2Å; L155-M159 PolarHBondContact O-N 2.95Å; L155-L173 HydrophobicContact CB-CD2 4.14Å; L155-R178 HydrophobicContact CB-CG 3.94Å; L155-R178 HydrophobicContact CD1-CG 3.71Å; L155-R178 HydrophobicContact CG-CG 4.49Å; L155-I181 HydrophobicContact CD1-CB 3.91Å; L155-I181 HydrophobicContact CD1-CD1 4.43Å; L155-I181 HydrophobicContact CD1-CG2 3.79Å; L155-I181 HydrophobicContact CD2-CG2 4.25Å; L155-A192 HydrophobicContact CD2-CB 4.11Å; L155-A192 HydrophobicContact CG-CB 4.46Å; L155-L196 HydrophobicContact CD2-CB 3.9Å; L155-L196 HydrophobicContact CD2-CD2 3.95Å; L155-L196 HydrophobicContact CD2-CG 4.37Å
156T97Very high95.4Very high42 Ų4250.5 Ų50.526%0.25826%0.256SS..Hα-helixtrans-59.6-46.6174.9-61.30000111.3E152 Q153 A158 M159 E160E152-T156 PolarHBondContact O-N 3.37Å; E152-T156 PolarHBondContact O-OG1 3.35Å; E152-T156 VanDerWaalsContact O-OG1 3.07Å; Q153-T156 PolarHBondContact O-N 3.24Å; T156-A158 PolarHBondContact O-N 3.42Å; T156-M159 PolarHBondContact O-N 3.12Å; T156-E160 HydrophobicContact CG2-CG 4.25Å; T156-E160 WeakPolarHBondContact CG2-OE1 3.31Å; T156-E160 WeakPolarHBondContact O-CG 3.46Å; T156-E160 PolarHBondContact O-N 2.84Å
157Q96.7Very high95.3Very high40 Ų4050.4 Ų50.419%0.18726%0.258CS..Hα-helixtrans-57.6-36.7175.3-173.6176.9-9900111.6M1 Q8 I10 Q153 V154 L155 D161M1-Q157 HydrophobicContact CE-CG 3.99Å; M1-Q157 WeakPolarHBondContact CE-O 3.22Å; Q8-Q157 PolarHBondContact O-NE2 3.31Å; Q8-Q157 PolarHBondContact O-OE1 2.91Å; I10-Q157 HydrophobicContact CD1-CB 4.09Å; Q153-Q157 WeakPolarHBondContact O-CB 3.5Å; Q153-Q157 PolarHBondContact O-N 3.49Å; V154-Q157 PolarHBondContact O-N 3.02Å; L155-Q157 PolarHBondContact O-N 3.22Å; Q157-D161 WeakPolarHBondContact O-CB 3.4Å; Q157-D161 PolarHBondContact O-N 2.9Å; Q157-D161 VanDerWaalsContact O-N 3.16Å
158A97Very high95.1Very high1 Ų152 Ų521%0.00828%0.282CS..Hα-helixtrans-70.2-35.2175.400000113.9M1 V154 L155 T156 G165 Y166 L193 L196M1-A158 HydrophobicContact CE-CB 3.89Å; M1-A158 HydrophobicContact CG-CB 3.75Å; M1-A158 HydrophobicContact SD-CB 3.99Å; V154-A158 PolarHBondContact O-N 2.9Å; V154-A158 VanDerWaalsContact O-N 3.08Å; L155-A158 WeakPolarHBondContact O-CB 3.44Å; L155-A158 PolarHBondContact O-N 3.5Å; L155-A158 VanDerWaalsContact O-N 3.1Å; T156-A158 PolarHBondContact O-N 3.42Å; A158-G165 CarbonylContact O-C 3.5Å; A158-G165 WeakPolarHBondContact O-CA 3.3Å; A158-Y166 PolarHBondContact O-N 3.24Å; A158-L193 HydrophobicContact CB-CD2 3.65Å; A158-L196 HydrophobicContact CB-CD2 3.72Å
159M96.8Very high95Very high32 Ų3254.3 Ų54.316%0.15829%0.29CS..Hα-helixtrans-74.7-27.9177.1-68.8-56-59.200113L155 T156 Y166 G167 I171 L173 L196L155-M159 WeakPolarHBondContact O-CG 3.2Å; L155-M159 PolarHBondContact O-N 2.95Å; T156-M159 PolarHBondContact O-N 3.12Å; M159-Y166 CarbonylContact O-C 3.59Å; M159-Y166 HydrophobicContact SD-CD2 4.08Å; M159-Y166 HydrophobicContact SD-CG 4.5Å; M159-G167 WeakPolarHBondContact O-CA 3.35Å; M159-G167 PolarHBondContact O-N 2.93Å; M159-I171 HydrophobicContact CE-CB 4.15Å; M159-I171 HydrophobicContact CE-CG2 3.86Å; M159-I171 VanDerWaalsContact CE-O 3.25Å; M159-I171 WeakPolarHBondContact CE-O 3.43Å; M159-L173 HydrophobicContact CE-CB 4.07Å; M159-L173 HydrophobicContact CG-CB 4.03Å; M159-L173 HydrophobicContact CG-CD2 4Å; M159-L173 HydrophobicContact SD-CB 4.01Å; M159-L196 HydrophobicContact SD-CD1 4.05Å; M159-L196 HydrophobicContact SD-CD2 4.21Å
160E95.9Very high94.9Very high140 Ų14055.1 Ų55.165%0.65430%0.297SS*.Hα-helixtrans-93.5-23.9-176.5-67.9178.4171.600113.9T156 K162T156-E160 HydrophobicContact CG2-CG 4.25Å; T156-E160 WeakPolarHBondContact CG2-OE1 3.31Å; T156-E160 WeakPolarHBondContact O-CG 3.46Å; T156-E160 PolarHBondContact O-N 2.84Å; E160-K162 PolarHBondContact O-N 3.13Å
161D95.4Very high94.8Very high23 Ų2354.3 Ų54.312%0.12329%0.293CS..  trans-72.3111.5-177.9-169.2-48.3000111.9M1 Q157 T163 R164 G165 G167M1-D161 HydrophobicContact CE-CB 4.11Å; M1-D161 HydrophobicContact SD-CB 4.1Å; Q157-D161 WeakPolarHBondContact O-CB 3.4Å; Q157-D161 PolarHBondContact O-N 2.9Å; Q157-D161 VanDerWaalsContact O-N 3.16Å; D161-T163 VanDerWaalsContact C-N 3.26Å; D161-T163 PolarHBondContact O-N 3.43Å; D161-T163 WeakPolarHBondContact OD1-CA 3.44Å; D161-T163 PolarHBondContact OD1-N 3.45Å; D161-T163 PolarHBondContact OD1-OG1 2.86Å; D161-R164 PolarHBondContact OD1-N 3.2Å; D161-R164 IonicContact OD1-NE 3.98Å; D161-R164 IonicContact OD2-CZ 3.19Å; D161-R164 IonicContact OD2-NE 2.93Å; D161-R164 PolarHBondContact OD2-NE 3.42Å; D161-R164 IonicContact OD2-NH2 2.68Å; D161-R164 PolarHBondContact OD2-NH2 2.99Å; D161-G165 CarbonylContact O-C 3.58Å; D161-G165 WeakPolarHBondContact O-CA 3.35Å; D161-G165 PolarHBondContact O-N 2.69Å; D161-G167 WeakPolarHBondContact O-CA 3.15Å; D161-G167 PolarHBondContact O-N 3.03Å
162K93.7Very high94.7Very high173 Ų17357 Ų5775%0.75231%0.309SS*.THydrogen-bonded Turntrans-72.1-12.4-178.3-61.5-176.7179.3-179.20115.3E160 G167E160-K162 PolarHBondContact O-N 3.13Å; K162-G167 WeakPolarHBondContact CA-O 3.24Å
163T92.4Very high94.6Very high121 Ų12156.2 Ų56.274%0.74231%0.306SS*.THydrogen-bonded Turntrans-111.6-37.4-170.657.80000112.9D161D161-T163 VanDerWaalsContact C-N 3.26Å; D161-T163 PolarHBondContact O-N 3.43Å; D161-T163 WeakPolarHBondContact OD1-CA 3.44Å; D161-T163 PolarHBondContact OD1-N 3.45Å; D161-T163 PolarHBondContact OD1-OG1 2.86Å
164R92.3Very high94.6Very high62 Ų6252.4 Ų52.423%0.23429%0.291CS..THydrogen-bonded Turntrans-122.6-2.9-172-58.5171.5-58160.1-3.9113.1M1 R2 E4 Q8 D161M1-R164 PolarHBondContact N-O 3Å; M1-R164 HydrophobicContact SD-CB 4.14Å; R2-R164 PolarHBondContact O-NH1 3.25Å; E4-R164 VanDerWaalsContact CG-NH1 3.31Å; Q8-R164 VanDerWaalsContact CD-NH2 3.34Å; Q8-R164 VanDerWaalsContact OE1-NH1 3.09Å; D161-R164 PolarHBondContact OD1-N 3.2Å; D161-R164 IonicContact OD1-NE 3.98Å; D161-R164 IonicContact OD2-CZ 3.19Å; D161-R164 IonicContact OD2-NE 2.93Å; D161-R164 PolarHBondContact OD2-NE 3.42Å; D161-R164 IonicContact OD2-NH2 2.68Å; D161-R164 PolarHBondContact OD2-NH2 2.99Å
165G93.2Very high94.5Very high15 Ų1557 Ų5716%0.15532%0.315CS..SBendtrans-133.5-151.1-177.100000111.4M1 A158 D161M1-G165 WeakPolarHBondContact SD-CA 3.23Å; A158-G165 CarbonylContact O-C 3.5Å; A158-G165 WeakPolarHBondContact O-CA 3.3Å; D161-G165 CarbonylContact O-C 3.58Å; D161-G165 WeakPolarHBondContact O-CA 3.35Å; D161-G165 PolarHBondContact O-N 2.69Å
166Y94.4Very high94.3Very high38 Ų3863.3 Ų63.315%0.14934%0.344CS..SBendtrans-99.78.4-174.9-62.4-65.3000113.5A158 M159 G168 Q169 I171 L196 E197 A200A158-Y166 PolarHBondContact O-N 3.24Å; M159-Y166 CarbonylContact O-C 3.59Å; M159-Y166 HydrophobicContact SD-CD2 4.08Å; M159-Y166 HydrophobicContact SD-CG 4.5Å; Y166-G168 PolarHBondContact O-N 3.43Å; Y166-Q169 WeakPolarHBondContact O-CB 3.14Å; Y166-Q169 PolarHBondContact O-N 3.12Å; Y166-I171 HydrophobicContact CD1-CD1 3.2Å; Y166-I171 HydrophobicContact CE1-CD1 3.72Å; Y166-I171 HydrophobicContact CG-CD1 3.73Å; Y166-L196 HydrophobicContact CD2-CD2 4.16Å; Y166-L196 HydrophobicContact CD2-CG 4.38Å; Y166-L196 HydrophobicContact CE2-CD2 4.14Å; Y166-L196 HydrophobicContact CE2-CG 4.04Å; Y166-E197 WeakPolarHBondContact OH-CA 3.32Å; Y166-A200 HydrophobicContact CE1-CB 3.91Å; Y166-A200 HydrophobicContact CE2-CB 4.17Å
167G91.8Very high94.2Very high10 Ų1061.3 Ų61.310%0.10333%0.332CS..THydrogen-bonded Turntrans-57.2125.5-179.800000112M159 D161 K162 Q169M159-G167 WeakPolarHBondContact O-CA 3.35Å; M159-G167 PolarHBondContact O-N 2.93Å; D161-G167 WeakPolarHBondContact O-CA 3.15Å; D161-G167 PolarHBondContact O-N 3.03Å; K162-G167 WeakPolarHBondContact CA-O 3.24Å; G167-Q169 VanDerWaalsContact C-N 3.27Å; G167-Q169 PolarHBondContact O-N 3.07Å
168G88.9Confident94.2Very high81 Ų8161.6 Ų61.684%0.83533%0.331SS*.THydrogen-bonded Turntrans78.44.1-178.600000115.1Y166Y166-G168 PolarHBondContact O-N 3.43Å
169Q91.1Very high94Very high88 Ų8865.4 Ų65.441%0.41135%0.345SS..SBendtrans-87.7155.5166.3-56.4-172.329.300110.2Y166 G167 I171Y166-Q169 WeakPolarHBondContact O-CB 3.14Å; Y166-Q169 PolarHBondContact O-N 3.12Å; G167-Q169 VanDerWaalsContact C-N 3.27Å; G167-Q169 PolarHBondContact O-N 3.07Å; Q169-I171 HydrophobicContact CB-CD1 4.15Å; Q169-I171 HydrophobicContact CB-CG1 4.29Å; Q169-I171 PolarHBondContact O-N 3.4Å
170D92.9Very high93.8Very high106 Ų10665.5 Ų65.557%0.56735%0.351SS*.SBendtrans-76.451.7174.1-66.3-52.8000111.8G209 K210 R211D170-G209 WeakPolarHBondContact CB-O 3.46Å; D170-K210 HydrophobicContact CB-CG 4.21Å; D170-K210 CarbonylContact O-C 3.55Å; D170-K210 WeakPolarHBondContact O-CA 3.01Å; D170-R211 PolarHBondContact O-N 2.9Å
171I94.9Very high93.7Very high12 Ų1258.8 Ų58.86%0.06232%0.32CS..EExtended strand (participates in β ladder)trans-115.3129.9174.9-59.5163.5000108.5M159 Y166 Q169 A200 R211 L213M159-I171 HydrophobicContact CE-CB 4.15Å; M159-I171 HydrophobicContact CE-CG2 3.86Å; M159-I171 VanDerWaalsContact CE-O 3.25Å; M159-I171 WeakPolarHBondContact CE-O 3.43Å; Y166-I171 HydrophobicContact CD1-CD1 3.2Å; Y166-I171 HydrophobicContact CE1-CD1 3.72Å; Y166-I171 HydrophobicContact CG-CD1 3.73Å; Q169-I171 HydrophobicContact CB-CD1 4.15Å; Q169-I171 HydrophobicContact CB-CG1 4.29Å; Q169-I171 PolarHBondContact O-N 3.4Å; I171-A200 HydrophobicContact CD1-CB 4.09Å; I171-R211 WeakPolarHBondContact CA-O 3.49Å; I171-R211 HydrophobicContact CG1-CB 4.22Å; I171-L213 HydrophobicContact CG2-CD1 3.85Å; I171-L213 HydrophobicContact CG2-CD2 4.04Å; I171-L213 HydrophobicContact CG2-CG 3.85Å
172V95.2Very high93.6Very high58 Ų5857.8 Ų57.835%0.35232%0.315SS..EExtended strand (participates in β ladder)trans-117.3124.2177.8-1790000108.7P174 K210 R211 V212 L213V172-P174 WeakPolarHBondContact O-CD 3.49Å; V172-K210 HydrophobicContact CG2-CD 4Å; V172-R211 PolarHBondContact N-O 3.41Å; V172-V212 HydrophobicContact CB-CG2 4.38Å; V172-L213 PolarHBondContact O-N 2.98Å
173L96.3Very high93.4Very high16 Ų1655 Ų558%0.08430%0.304CS..  trans-104.5100.5170.8178.466.3000108.8L155 M159 T177 R178 I181 L196 L213L155-L173 HydrophobicContact CB-CD2 4.14Å; M159-L173 HydrophobicContact CE-CB 4.07Å; M159-L173 HydrophobicContact CG-CB 4.03Å; M159-L173 HydrophobicContact CG-CD2 4Å; M159-L173 HydrophobicContact SD-CB 4.01Å; L173-T177 HydrophobicContact CD1-CG2 3.83Å; L173-R178 HydrophobicContact CD2-CB 3.86Å; L173-R178 HydrophobicContact CD2-CG 3.9Å; L173-R178 HydrophobicContact CG-CB 4.01Å; L173-I181 HydrophobicContact CD1-CD1 3.97Å; L173-L196 HydrophobicContact CD1-CD1 4.21Å; L173-L196 HydrophobicContact CD2-CD1 3.95Å; L173-L213 HydrophobicContact CB-CD1 4.47Å; L173-L213 HydrophobicContact CD1-CB 4.02Å; L173-L213 HydrophobicContact CD1-CD1 4.12Å
174P95.3Very high93.1Very high29 Ų2952.9 Ų52.919%0.18829%0.288CS..  trans-57.2148.6174.7-2334.3000112.1V172 E176 T177 R178 V212 L213V172-P174 WeakPolarHBondContact O-CD 3.49Å; P174-E176 VanDerWaalsContact C-N 3.29Å; P174-E176 HydrophobicContact CB-CG 4.05Å; P174-E176 PolarHBondContact O-N 3.25Å; P174-T177 PolarHBondContact O-N 3.36Å; P174-T177 VanDerWaalsContact O-N 3.15Å; P174-R178 PolarHBondContact O-N 3.39Å; P174-V212 HydrophobicContact CG-CG1 3.83Å; P174-L213 VanDerWaalsContact CD-O 3.25Å; P174-L213 WeakPolarHBondContact CD-O 3.29Å
175D95.5Very high92.9Very high110 Ų11050.2 Ų50.259%0.58828%0.279SS*.Hα-helixtrans-57.9-40.4-178.7-70.4-12.1000112.6R178 R179D175-R178 PolarHBondContact O-N 3.14Å; D175-R178 IonicContact OD1-CZ 3.25Å; D175-R178 IonicContact OD1-NH1 2.7Å; D175-R178 PolarHBondContact OD1-NH1 3.26Å; D175-R178 IonicContact OD1-NH2 2.71Å; D175-R178 PolarHBondContact OD1-NH2 3.29Å; D175-R178 IonicContact OD2-NH2 3.88Å; D175-R179 PolarHBondContact O-N 2.91Å
176E93.4Very high92.4Very high132 Ų13254.3 Ų54.362%0.61730%0.297SS*.Hα-helixtrans-61.8-44176.458.8-177.1-178.100112.4P174 R179 A180 P215P174-E176 VanDerWaalsContact C-N 3.29Å; P174-E176 HydrophobicContact CB-CG 4.05Å; P174-E176 PolarHBondContact O-N 3.25Å; E176-R179 PolarHBondContact O-N 3.36Å; E176-A180 WeakPolarHBondContact O-CB 3.38Å; E176-A180 PolarHBondContact O-N 3.34Å; E176-P215 HydrophobicContact CG-CG 3.87Å
177T94.7Very high92.1Very high0 Ų052.8 Ų52.80%029%0.293CS..Hα-helixtrans-66.3-42.7176.3-500000110.4L173 P174 R179 A180 I181 M199 L213 P215L173-T177 HydrophobicContact CD1-CG2 3.83Å; P174-T177 PolarHBondContact O-N 3.36Å; P174-T177 VanDerWaalsContact O-N 3.15Å; T177-R179 VanDerWaalsContact C-N 3.32Å; T177-R179 PolarHBondContact O-N 3.26Å; T177-A180 PolarHBondContact O-N 3.39Å; T177-I181 HydrophobicContact CG2-CD1 4.13Å; T177-I181 HydrophobicContact CG2-CG1 4.37Å; T177-I181 VanDerWaalsContact O-CG1 3.31Å; T177-I181 WeakPolarHBondContact O-CG1 3.25Å; T177-I181 PolarHBondContact O-N 2.69Å; T177-M199 HydrophobicContact CG2-CE 3.53Å; T177-M199 HydrophobicContact CG2-SD 4.02Å; T177-L213 VanDerWaalsContact CB-O 3.24Å; T177-L213 WeakPolarHBondContact CB-O 3.28Å; T177-L213 WeakPolarHBondContact CG2-O 3.31Å; T177-L213 PolarHBondContact OG1-O 2.98Å; T177-P215 VanDerWaalsContact OG1-CD 3.3Å; T177-P215 WeakPolarHBondContact OG1-CD 3.36Å
178R96.6Very high92.1Very high47 Ų4753.2 Ų53.218%0.17729%0.293CS..Hα-helixtrans-57.6-46.7177.8-172.1178.157.8-114.9-0.7111E152 L155 L173 P174 D175 I181 A182E152-R178 HydrophobicContact CB-CG 4.31Å; E152-R178 HydrophobicContact CG-CG 4.19Å; L155-R178 HydrophobicContact CB-CG 3.94Å; L155-R178 HydrophobicContact CD1-CG 3.71Å; L155-R178 HydrophobicContact CG-CG 4.49Å; L173-R178 HydrophobicContact CD2-CB 3.86Å; L173-R178 HydrophobicContact CD2-CG 3.9Å; L173-R178 HydrophobicContact CG-CB 4.01Å; P174-R178 PolarHBondContact O-N 3.39Å; D175-R178 PolarHBondContact O-N 3.14Å; D175-R178 IonicContact OD1-CZ 3.25Å; D175-R178 IonicContact OD1-NH1 2.7Å; D175-R178 PolarHBondContact OD1-NH1 3.26Å; D175-R178 IonicContact OD1-NH2 2.71Å; D175-R178 PolarHBondContact OD1-NH2 3.29Å; D175-R178 IonicContact OD2-NH2 3.88Å; R178-I181 PolarHBondContact O-N 2.87Å; R178-A182 WeakPolarHBondContact O-CB 3.21Å; R178-A182 PolarHBondContact O-N 2.97Å
179R93.8Very high92.4Very high80 Ų8050 Ų5030%0.30226%0.258SS..Hα-helixtrans-62.8-44.6176.3-170.371.2-175.7-1760.6111.4E149 E152 D175 E176 T177 I181 A182 E183E149-R179 IonicContact OE1-CZ 2.99Å; E149-R179 IonicContact OE1-NH1 2.74Å; E149-R179 PolarHBondContact OE1-NH1 2.74Å; E149-R179 IonicContact OE1-NH2 3.7Å; E149-R179 PolarHBondContact OE1-NH2 2.74Å; E152-R179 WeakPolarHBondContact OE1-CA 3.33Å; E152-R179 WeakPolarHBondContact OE1-CB 3.46Å; E152-R179 WeakPolarHBondContact OE1-CD 3.41Å; E152-R179 IonicContact OE2-CZ 3.04Å; E152-R179 IonicContact OE2-NH1 3.61Å; E152-R179 PolarHBondContact OE2-NH1 2.81Å; D175-R179 PolarHBondContact O-N 2.91Å; E176-R179 PolarHBondContact O-N 3.36Å; T177-R179 VanDerWaalsContact C-N 3.32Å; T177-R179 PolarHBondContact O-N 3.26Å; R179-I181 PolarHBondContact O-N 3.06Å; R179-A182 WeakPolarHBondContact O-CB 3.43Å; R179-A182 PolarHBondContact O-N 3.32Å; R179-A182 VanDerWaalsContact O-N 3.13Å; R179-E183 IonicContact NE-OE1 3.35Å; R179-E183 PolarHBondContact NE-OE1 3.31Å; R179-E183 WeakPolarHBondContact O-CG 3.48Å; R179-E183 PolarHBondContact O-N 3.1Å
180A91.9Very high92.5Very high34 Ų3452.6 Ų52.628%0.28126%0.264SS..Hα-helixtrans-61.8-41.5178.400000112.6E176 T177 A182 L184 L218E176-A180 WeakPolarHBondContact O-CB 3.38Å; E176-A180 PolarHBondContact O-N 3.34Å; T177-A180 PolarHBondContact O-N 3.39Å; A180-A182 VanDerWaalsContact C-N 3.35Å; A180-L184 VanDerWaalsContact O-CB 3.29Å; A180-L184 WeakPolarHBondContact O-CB 3.49Å; A180-L184 PolarHBondContact O-N 3.09Å; A180-L218 HydrophobicContact CB-CD2 3.56Å
181I94Very high92.5Very high0 Ų051.7 Ų51.70%025%0.253CS..Hα-helixtrans-61.1-46.4172.7-64.6166.8000109.9L155 L173 T177 R178 R179 E183 L184 V185 A192 T195 M199 L218L155-I181 HydrophobicContact CD1-CB 3.91Å; L155-I181 HydrophobicContact CD1-CD1 4.43Å; L155-I181 HydrophobicContact CD1-CG2 3.79Å; L155-I181 HydrophobicContact CD2-CG2 4.25Å; L173-I181 HydrophobicContact CD1-CD1 3.97Å; T177-I181 HydrophobicContact CG2-CD1 4.13Å; T177-I181 HydrophobicContact CG2-CG1 4.37Å; T177-I181 VanDerWaalsContact O-CG1 3.31Å; T177-I181 WeakPolarHBondContact O-CG1 3.25Å; T177-I181 PolarHBondContact O-N 2.69Å; R178-I181 PolarHBondContact O-N 2.87Å; R179-I181 PolarHBondContact O-N 3.06Å; I181-E183 VanDerWaalsContact C-N 3.33Å; I181-E183 PolarHBondContact O-N 2.99Å; I181-L184 PolarHBondContact O-N 3.45Å; I181-V185 HydrophobicContact CG2-CG1 4.43Å; I181-V185 WeakPolarHBondContact O-CG1 3.3Å; I181-V185 WeakPolarHBondContact O-CG2 3.36Å; I181-V185 PolarHBondContact O-N 3.06Å; I181-V185 VanDerWaalsContact O-N 3.13Å; I181-A192 HydrophobicContact CG2-CB 4.34Å; I181-T195 HydrophobicContact CG1-CG2 4.19Å; I181-T195 HydrophobicContact CG2-CG2 4.21Å; I181-M199 HydrophobicContact CD1-SD 3.68Å; I181-M199 HydrophobicContact CG1-SD 4.11Å; I181-L218 HydrophobicContact CG1-CD1 3.93Å; I181-L218 HydrophobicContact CG1-CD2 3.95Å
182A93.1Very high92.5Very high1 Ų151.1 Ų51.11%0.00825%0.25CS..Hα-helixtrans-60.7-41.4-177.500000112.6T148 I151 E152 R178 R179 A180T148-A182 HydrophobicContact CG2-CB 3.54Å; I151-A182 HydrophobicContact CB-CB 3.88Å; I151-A182 HydrophobicContact CG2-CB 3.71Å; E152-A182 HydrophobicContact CG-CB 3.76Å; R178-A182 WeakPolarHBondContact O-CB 3.21Å; R178-A182 PolarHBondContact O-N 2.97Å; R179-A182 WeakPolarHBondContact O-CB 3.43Å; R179-A182 PolarHBondContact O-N 3.32Å; R179-A182 VanDerWaalsContact O-N 3.13Å; A180-A182 VanDerWaalsContact C-N 3.35Å
183E89.1Confident92.5Very high115 Ų11550.2 Ų50.254%0.53724%0.243SC..Hα-helixtrans-69.2-40.3175.5-69.6175.6-179.800112T148 R179 I181 V185 N186T148-E183 HydrophobicContact CG2-CG 3.9Å; R179-E183 IonicContact NE-OE1 3.35Å; R179-E183 PolarHBondContact NE-OE1 3.31Å; R179-E183 WeakPolarHBondContact O-CG 3.48Å; R179-E183 PolarHBondContact O-N 3.1Å; I181-E183 VanDerWaalsContact C-N 3.33Å; I181-E183 PolarHBondContact O-N 2.99Å; E183-V185 PolarHBondContact O-N 2.88Å; E183-N186 PolarHBondContact O-N 2.89Å
184L86.5Confident92.4Very high77 Ų7753 Ų5340%0.40326%0.258SS..Hα-helixtrans-61.6-40.4-179.7178.665.9000113A180 I181 L218 A222A180-L184 VanDerWaalsContact O-CB 3.29Å; A180-L184 WeakPolarHBondContact O-CB 3.49Å; A180-L184 PolarHBondContact O-N 3.09Å; I181-L184 PolarHBondContact O-N 3.45Å; L184-L218 HydrophobicContact CD2-CD1 3.82Å; L184-L218 HydrophobicContact CD2-CG 4.42Å; L184-A222 HydrophobicContact CD1-CB 4.44Å; L184-A222 HydrophobicContact CD2-CB 3.94Å
185V87.1Confident92.3Very high5 Ų551.8 Ų51.83%0.0325%0.25CC..Hα-helixtrans-84.3-11.5-173-59.90000114I151 I181 E183 G187 D188 R191 A192I151-V185 HydrophobicContact CD1-CG2 4.31Å; I151-V185 HydrophobicContact CG1-CG2 4.25Å; I151-V185 HydrophobicContact CG2-CG2 3.88Å; I181-V185 HydrophobicContact CG2-CG1 4.43Å; I181-V185 WeakPolarHBondContact O-CG1 3.3Å; I181-V185 WeakPolarHBondContact O-CG2 3.36Å; I181-V185 PolarHBondContact O-N 3.06Å; I181-V185 VanDerWaalsContact O-N 3.13Å; E183-V185 PolarHBondContact O-N 2.88Å; V185-G187 VanDerWaalsContact C-N 3.32Å; V185-G187 PolarHBondContact O-N 3.07Å; V185-D188 PolarHBondContact O-N 3.32Å; V185-R191 HydrophobicContact CB-CB 4.01Å; V185-R191 HydrophobicContact CG1-CB 3.78Å; V185-A192 HydrophobicContact CG1-CB 4.34Å; V185-A192 HydrophobicContact CG2-CB 3.99Å
186N83.9Confident92.3Very high101 Ų10146.6 Ų46.654%0.5422%0.222SC..THydrogen-bonded Turntrans50.647.9174-169.865.9000113.3E183 R235E183-N186 PolarHBondContact O-N 2.89Å; N186-R235 PolarHBondContact ND2-NH1 2.75Å
187G87.2Confident92.4Very high6 Ų645 Ų456%0.06222%0.215CC..THydrogen-bonded Turntrans89.59.2173.400000116.7L146 V185L146-G187 WeakPolarHBondContact CB-O 3.34Å; L146-G187 PolarHBondContact N-O 3.05Å; L146-G187 WeakPolarHBondContact O-CA 3.37Å; V185-G187 VanDerWaalsContact C-N 3.32Å; V185-G187 PolarHBondContact O-N 3.07Å
188D92.1Very high92.3Very high20 Ų2048 Ų4811%0.10723%0.229CC..  trans-97.5104.3174.5-175.3-30.6000111.6G41 V185 R190 R191 A192G41-D188 WeakPolarHBondContact CA-OD1 3.46Å; V185-D188 PolarHBondContact O-N 3.32Å; D188-R190 VanDerWaalsContact C-N 3.33Å; D188-R190 PolarHBondContact O-N 3.31Å; D188-R190 WeakPolarHBondContact OD1-CA 3.39Å; D188-R190 VanDerWaalsContact OD1-CB 3.32Å; D188-R190 WeakPolarHBondContact OD1-CB 3.4Å; D188-R190 PolarHBondContact OD1-N 3.06Å; D188-R191 HydrophobicContact CB-CB 3.99Å; D188-R191 HydrophobicContact CB-CG 4.09Å; D188-R191 VanDerWaalsContact CG-CG 3.5Å; D188-R191 PolarHBondContact O-N 3.28Å; D188-R191 PolarHBondContact OD1-N 2.97Å; D188-R191 WeakPolarHBondContact OD2-CD 3.38Å; D188-R191 WeakPolarHBondContact OD2-CG 3.32Å; D188-A192 PolarHBondContact O-N 2.85Å
189A95.6Very high92.2Very high13 Ų1345.7 Ų45.711%0.10722%0.221CC..Hα-helixtrans-66-31.1179.300000113.6G41 L146 I151 V154 A192 L193G41-A189 PolarHBondContact O-N 3.25Å; L146-A189 HydrophobicContact CD1-CB 3.61Å; I151-A189 HydrophobicContact CD1-CB 4.1Å; V154-A189 HydrophobicContact CG1-CB 4.15Å; V154-A189 HydrophobicContact CG2-CB 4.21Å; A189-A192 PolarHBondContact O-N 3.32Å; A189-L193 WeakPolarHBondContact O-CG 3.41Å; A189-L193 PolarHBondContact O-N 3.24Å
190R94Very high92.1Very high143 Ų14341.9 Ų41.954%0.5421%0.207SC..Hα-helixtrans-66.2-44.8176.9-176.7-171.9-63.5170.8-1.1109.5D188 A192 L193 N194D188-R190 VanDerWaalsContact C-N 3.33Å; D188-R190 PolarHBondContact O-N 3.31Å; D188-R190 WeakPolarHBondContact OD1-CA 3.39Å; D188-R190 VanDerWaalsContact OD1-CB 3.32Å; D188-R190 WeakPolarHBondContact OD1-CB 3.4Å; D188-R190 PolarHBondContact OD1-N 3.06Å; R190-A192 VanDerWaalsContact C-N 3.32Å; R190-A192 PolarHBondContact O-N 3.37Å; R190-L193 PolarHBondContact O-N 2.93Å; R190-N194 WeakPolarHBondContact O-CB 3.46Å; R190-N194 PolarHBondContact O-N 3.41Å; R190-N194 PolarHBondContact O-OD1 3.36Å
191R92.1Very high92.1Very high87 Ų8745.9 Ų45.933%0.32822%0.223SC..Hα-helixtrans-62.5-39.8174.7-73-179.569.1163.31.9111.6V185 D188 N194 T195V185-R191 HydrophobicContact CB-CB 4.01Å; V185-R191 HydrophobicContact CG1-CB 3.78Å; D188-R191 HydrophobicContact CB-CB 3.99Å; D188-R191 HydrophobicContact CB-CG 4.09Å; D188-R191 VanDerWaalsContact CG-CG 3.5Å; D188-R191 PolarHBondContact O-N 3.28Å; D188-R191 PolarHBondContact OD1-N 2.97Å; D188-R191 WeakPolarHBondContact OD2-CD 3.38Å; D188-R191 WeakPolarHBondContact OD2-CG 3.32Å; R191-N194 PolarHBondContact O-N 3.13Å; R191-T195 WeakPolarHBondContact O-CB 3.41Å; R191-T195 PolarHBondContact O-N 3.23Å; R191-T195 PolarHBondContact O-OG1 3.49Å
192A95.2Very high91.8Very high0 Ų050.6 Ų50.60%025%0.246CC..Hα-helixtrans-59.3-50.817700000111.7I151 L155 I181 V185 D188 A189 R190 T195 L196I151-A192 HydrophobicContact CG2-CB 3.6Å; L155-A192 HydrophobicContact CD2-CB 4.11Å; L155-A192 HydrophobicContact CG-CB 4.46Å; I181-A192 HydrophobicContact CG2-CB 4.34Å; V185-A192 HydrophobicContact CG1-CB 4.34Å; V185-A192 HydrophobicContact CG2-CB 3.99Å; D188-A192 PolarHBondContact O-N 2.85Å; A189-A192 PolarHBondContact O-N 3.32Å; R190-A192 VanDerWaalsContact C-N 3.32Å; R190-A192 PolarHBondContact O-N 3.37Å; A192-T195 PolarHBondContact O-N 3.28Å; A192-L196 PolarHBondContact O-N 2.92Å
193L96Very high91.7Very high39 Ų3951.1 Ų51.120%0.20425%0.251CS..Hα-helixtrans-63.8-42179.3-68.1171.1000112.1M1 V154 A158 A189 R190 T195 L196 E197M1-L193 HydrophobicContact CB-CD1 3.85Å; M1-L193 HydrophobicContact CB-CD2 4Å; M1-L193 HydrophobicContact CG-CD2 4.07Å; V154-L193 HydrophobicContact CG1-CD1 4.18Å; V154-L193 HydrophobicContact CG1-CD2 3.92Å; V154-L193 HydrophobicContact CG1-CG 3.93Å; A158-L193 HydrophobicContact CB-CD2 3.65Å; A189-L193 WeakPolarHBondContact O-CG 3.41Å; A189-L193 PolarHBondContact O-N 3.24Å; R190-L193 PolarHBondContact O-N 2.93Å; L193-T195 VanDerWaalsContact C-N 3.3Å; L193-T195 PolarHBondContact O-N 3.31Å; L193-L196 PolarHBondContact O-N 3.21Å; L193-E197 WeakPolarHBondContact O-CB 3.49Å; L193-E197 PolarHBondContact O-N 3.46Å
194N94.3Very high91.7Very high73 Ų7354 Ų5439%0.3926%0.264SS..Hα-helixtrans-67.5-29.1176.5-69.26.1000112.9R190 R191 M198R190-N194 WeakPolarHBondContact O-CB 3.46Å; R190-N194 PolarHBondContact O-N 3.41Å; R190-N194 PolarHBondContact O-OD1 3.36Å; R191-N194 PolarHBondContact O-N 3.13Å; N194-M198 WeakPolarHBondContact O-CB 3.48Å; N194-M198 PolarHBondContact O-N 3.33Å
195T93.1Very high91.8Very high4 Ų454.8 Ų54.83%0.02527%0.272CS..Hα-helixtrans-73.6-44.3173.4-63.50000110.1I181 R191 A192 L193 E197 M198 M199 L218 R225I181-T195 HydrophobicContact CG1-CG2 4.19Å; I181-T195 HydrophobicContact CG2-CG2 4.21Å; R191-T195 WeakPolarHBondContact O-CB 3.41Å; R191-T195 PolarHBondContact O-N 3.23Å; R191-T195 PolarHBondContact O-OG1 3.49Å; A192-T195 PolarHBondContact O-N 3.28Å; L193-T195 VanDerWaalsContact C-N 3.3Å; L193-T195 PolarHBondContact O-N 3.31Å; T195-E197 VanDerWaalsContact C-N 3.32Å; T195-E197 PolarHBondContact O-N 3.5Å; T195-M198 PolarHBondContact O-N 2.76Å; T195-M199 HydrophobicContact CG2-SD 4.39Å; T195-M199 WeakPolarHBondContact O-CG 3.42Å; T195-M199 PolarHBondContact O-N 2.99Å; T195-L218 HydrophobicContact CG2-CD1 3.52Å; T195-R225 PolarHBondContact OG1-NH1 3.37Å
196L95.6Very high91.7Very high1 Ų157.3 Ų57.31%0.00529%0.285CS..Hα-helixtrans-57.4-45.6174.5179.965.2000111.7L155 A158 M159 Y166 L173 A192 L193 M199 A200 L213L155-L196 HydrophobicContact CD2-CB 3.9Å; L155-L196 HydrophobicContact CD2-CD2 3.95Å; L155-L196 HydrophobicContact CD2-CG 4.37Å; A158-L196 HydrophobicContact CB-CD2 3.72Å; M159-L196 HydrophobicContact SD-CD1 4.05Å; M159-L196 HydrophobicContact SD-CD2 4.21Å; Y166-L196 HydrophobicContact CD2-CD2 4.16Å; Y166-L196 HydrophobicContact CD2-CG 4.38Å; Y166-L196 HydrophobicContact CE2-CD2 4.14Å; Y166-L196 HydrophobicContact CE2-CG 4.04Å; L173-L196 HydrophobicContact CD1-CD1 4.21Å; L173-L196 HydrophobicContact CD2-CD1 3.95Å; A192-L196 PolarHBondContact O-N 2.92Å; L193-L196 PolarHBondContact O-N 3.21Å; L196-M199 PolarHBondContact O-N 3.25Å; L196-A200 WeakPolarHBondContact O-CB 3.5Å; L196-A200 PolarHBondContact O-N 3.23Å; L196-L213 HydrophobicContact CD1-CD1 3.56Å
197E94.5Very high91.7Very high99 Ų9961.2 Ų61.246%0.46331%0.306SS..Hα-helixtrans-59.1-49.4177.4-178175.8-156.500111.6Y166 L193 T195 M199 A200 D201Y166-E197 WeakPolarHBondContact OH-CA 3.32Å; L193-E197 WeakPolarHBondContact O-CB 3.49Å; L193-E197 PolarHBondContact O-N 3.46Å; T195-E197 VanDerWaalsContact C-N 3.32Å; T195-E197 PolarHBondContact O-N 3.5Å; E197-M199 VanDerWaalsContact C-N 3.33Å; E197-M199 PolarHBondContact O-N 3.26Å; E197-A200 PolarHBondContact O-N 3.07Å; E197-A200 VanDerWaalsContact O-N 3.12Å; E197-D201 PolarHBondContact O-N 3.22Å
198M92Very high91.6Very high62 Ų6264.8 Ų64.831%0.30533%0.33SS..Hα-helixtrans-61.6-39.4177.7-172.1167.6-79.300112.7N194 T195 D201 M202 I221 R225N194-M198 WeakPolarHBondContact O-CB 3.48Å; N194-M198 PolarHBondContact O-N 3.33Å; T195-M198 PolarHBondContact O-N 2.76Å; M198-D201 PolarHBondContact O-N 2.87Å; M198-M202 HydrophobicContact CG-CE 4.12Å; M198-M202 HydrophobicContact CG-SD 4.1Å; M198-M202 WeakPolarHBondContact O-CB 3.31Å; M198-M202 WeakPolarHBondContact O-CG 3.31Å; M198-M202 PolarHBondContact O-N 3.49Å; M198-I221 HydrophobicContact CB-CD1 4.41Å; M198-I221 HydrophobicContact CG-CD1 3.93Å; M198-I221 HydrophobicContact CG-CG1 4.09Å; M198-I221 HydrophobicContact CG-CG2 4.03Å; M198-I221 HydrophobicContact SD-CB 4.46Å; M198-I221 HydrophobicContact SD-CG1 4.32Å; M198-I221 HydrophobicContact SD-CG2 3.43Å; M198-I221 WeakPolarHBondContact SD-CG2 3.35Å; M198-R225 VanDerWaalsContact CE-NH2 3.26Å; M198-R225 PolarHBondContact SD-NH2 3.04Å
199M94.2Very high91.3Very high0 Ų065.7 Ų65.70%034%0.344CS..Hα-helixtrans-64.4-43174.1-71.1-17380.900111.4T177 I181 T195 L196 E197 D201 M202 A203 L213 K214 L217 L218 I221T177-M199 HydrophobicContact CG2-CE 3.53Å; T177-M199 HydrophobicContact CG2-SD 4.02Å; I181-M199 HydrophobicContact CD1-SD 3.68Å; I181-M199 HydrophobicContact CG1-SD 4.11Å; T195-M199 HydrophobicContact CG2-SD 4.39Å; T195-M199 WeakPolarHBondContact O-CG 3.42Å; T195-M199 PolarHBondContact O-N 2.99Å; L196-M199 PolarHBondContact O-N 3.25Å; E197-M199 VanDerWaalsContact C-N 3.33Å; E197-M199 PolarHBondContact O-N 3.26Å; M199-D201 VanDerWaalsContact C-N 3.31Å; M199-D201 PolarHBondContact O-N 3.09Å; M199-M202 PolarHBondContact O-N 3.17Å; M199-A203 WeakPolarHBondContact O-CB 3.43Å; M199-A203 PolarHBondContact O-N 3.13Å; M199-L213 HydrophobicContact CB-CD1 4.06Å; M199-L213 HydrophobicContact CB-CD2 4.18Å; M199-L213 HydrophobicContact CB-CG 4.48Å; M199-L213 HydrophobicContact CE-CB 4.01Å; M199-L213 WeakPolarHBondContact O-CD2 3.36Å; M199-K214 VanDerWaalsContact CE-O 3.31Å; M199-K214 WeakPolarHBondContact CE-O 3.42Å; M199-L217 HydrophobicContact CB-CD2 4.19Å; M199-L217 HydrophobicContact CE-CB 4.08Å; M199-L217 HydrophobicContact CE-CD2 4.27Å; M199-L217 HydrophobicContact CE-CG 4.23Å; M199-L217 HydrophobicContact CG-CD2 4.47Å; M199-L217 WeakPolarHBondContact O-CD2 3.29Å; M199-L218 HydrophobicContact CE-CB 3.77Å; M199-L218 HydrophobicContact SD-CB 4.03Å; M199-L218 HydrophobicContact SD-CD1 3.96Å; M199-I221 HydrophobicContact CB-CD1 4.23Å; M199-I221 HydrophobicContact CG-CD1 3.49Å; M199-I221 VanDerWaalsContact CG-CD1 3.49Å
200A93.6Very high91.1Very high0 Ų069.3 Ų69.30%036%0.357CS..Hα-helixtrans-64.5-35.4178.300000112.8Y166 I171 L196 E197 R211Y166-A200 HydrophobicContact CE1-CB 3.91Å; Y166-A200 HydrophobicContact CE2-CB 4.17Å; I171-A200 HydrophobicContact CD1-CB 4.09Å; L196-A200 WeakPolarHBondContact O-CB 3.5Å; L196-A200 PolarHBondContact O-N 3.23Å; E197-A200 PolarHBondContact O-N 3.07Å; E197-A200 VanDerWaalsContact O-N 3.12Å; A200-R211 PolarHBondContact O-NH1 2.99Å
201D90.3Very high91Very high117 Ų11765.6 Ų65.663%0.62634%0.343SS*.Hα-helixtrans-72.3-35.4177.1-72.1-13.8000112.7E197 M198 M199E197-D201 PolarHBondContact O-N 3.22Å; M198-D201 PolarHBondContact O-N 2.87Å; M199-D201 VanDerWaalsContact C-N 3.31Å; M199-D201 PolarHBondContact O-N 3.09Å
202M88.9Confident91.1Very high100 Ų10063.2 Ų63.249%0.49334%0.338SS..Hα-helixtrans-90.1-18.9-178.2-68.7-178.1169.900114.1M198 M199 E204 L217 I221M198-M202 HydrophobicContact CG-CE 4.12Å; M198-M202 HydrophobicContact CG-SD 4.1Å; M198-M202 WeakPolarHBondContact O-CB 3.31Å; M198-M202 WeakPolarHBondContact O-CG 3.31Å; M198-M202 PolarHBondContact O-N 3.49Å; M199-M202 PolarHBondContact O-N 3.17Å; M202-E204 PolarHBondContact O-N 2.74Å; M202-L217 HydrophobicContact CB-CD1 3.88Å; M202-L217 HydrophobicContact CB-CD2 4.41Å; M202-I221 HydrophobicContact SD-CD1 3.81Å; M202-I221 HydrophobicContact SD-CG1 3.54Å; M202-I221 VanDerWaalsContact SD-CG1 3.54Å
203A91Very high91Very high12 Ų1263.2 Ų63.210%0.09934%0.338CS..PPolyproline II helixtrans-67.3123.8-177.600000111.6M199 R211 L213 L217M199-A203 WeakPolarHBondContact O-CB 3.43Å; M199-A203 PolarHBondContact O-N 3.13Å; A203-R211 HydrophobicContact CB-CB 3.91Å; A203-R211 HydrophobicContact CB-CG 4.3Å; A203-R211 WeakPolarHBondContact O-CD 3.12Å; A203-R211 WeakPolarHBondContact O-CG 3.38Å; A203-L213 HydrophobicContact CB-CD2 3.44Å; A203-L213 VanDerWaalsContact CB-CD2 3.44Å; A203-L217 HydrophobicContact CB-CD2 3.94Å
204E87.9Confident90.8Very high175 Ų17566.9 Ų66.982%0.81835%0.353SS*.PPolyproline II helixtrans-71.2151.5171.3-63.3-172.2161.700111.1M202 D206M202-E204 PolarHBondContact O-N 2.74Å; E204-D206 PolarHBondContact O-N 3.44Å
205V88.5Confident90.5Very high94 Ų9465 Ų6557%0.5734%0.344SS*.BIsolated β-bridgetrans-76123173.8-176.80000107.9G209 R211V205-G209 VanDerWaalsContact CG1-C 3.41Å; V205-G209 VanDerWaalsContact CG1-CA 3.46Å; V205-R211 HydrophobicContact CG2-CG 3.97Å
206D86.6Confident90.2Very high58 Ų5870.3 Ų70.331%0.3137%0.369SS..  trans-74.9174.3174.571.415.8000112.1E204 S208 G209 K210 V212E204-D206 PolarHBondContact O-N 3.44Å; D206-S208 VanDerWaalsContact CG-OG 3.3Å; D206-S208 PolarHBondContact O-N 2.92Å; D206-S208 VanDerWaalsContact OD1-CA 3.27Å; D206-S208 WeakPolarHBondContact OD1-CA 3.42Å; D206-S208 VanDerWaalsContact OD1-CB 3.29Å; D206-S208 WeakPolarHBondContact OD1-CB 3.49Å; D206-S208 PolarHBondContact OD1-N 3.24Å; D206-S208 PolarHBondContact OD1-OG 3.04Å; D206-S208 PolarHBondContact OD2-OG 2.9Å; D206-G209 PolarHBondContact O-N 3.16Å; D206-G209 PolarHBondContact OD1-N 3.14Å; D206-K210 PolarHBondContact N-O 3.49Å; D206-K210 PolarHBondContact OD1-N 3.08Å; D206-V212 WeakPolarHBondContact OD2-CG2 3.45Å
207D82.5Confident89.9Confident183 Ų18371.5 Ų71.598%0.97938%0.375SS*.THydrogen-bonded Turntrans-58.5-16.4179-63.3-30.8000113.7
208S84.8Confident89.7Confident81 Ų8167.3 Ų67.357%0.56636%0.356SS*.THydrogen-bonded Turntrans-91.41.2177.681.80000113.8D206 K210D206-S208 VanDerWaalsContact CG-OG 3.3Å; D206-S208 PolarHBondContact O-N 2.92Å; D206-S208 VanDerWaalsContact OD1-CA 3.27Å; D206-S208 WeakPolarHBondContact OD1-CA 3.42Å; D206-S208 VanDerWaalsContact OD1-CB 3.29Å; D206-S208 WeakPolarHBondContact OD1-CB 3.49Å; D206-S208 PolarHBondContact OD1-N 3.24Å; D206-S208 PolarHBondContact OD1-OG 3.04Å; D206-S208 PolarHBondContact OD2-OG 2.9Å; S208-K210 VanDerWaalsContact C-N 3.33Å
209G87.3Confident89.2Confident38 Ų3869.1 Ų69.139%0.39237%0.37SS..SBendtrans81.210.9-176.100000113.7D170 V205 D206D170-G209 WeakPolarHBondContact CB-O 3.46Å; V205-G209 VanDerWaalsContact CG1-C 3.41Å; V205-G209 VanDerWaalsContact CG1-CA 3.46Å; D206-G209 PolarHBondContact O-N 3.16Å; D206-G209 PolarHBondContact OD1-N 3.14Å
210K90.2Very high88.5Confident90 Ų9075.7 Ų75.739%0.39140%0.401SS..  trans-110.3146.1-175.9-64.5-177.6179.3-178.50112D170 V172 D206 S208D170-K210 HydrophobicContact CB-CG 4.21Å; D170-K210 CarbonylContact O-C 3.55Å; D170-K210 WeakPolarHBondContact O-CA 3.01Å; V172-K210 HydrophobicContact CG2-CD 4Å; D206-K210 PolarHBondContact N-O 3.49Å; D206-K210 PolarHBondContact OD1-N 3.08Å; S208-K210 VanDerWaalsContact C-N 3.33Å
211R93Very high87.8Confident64 Ų6476 Ų7624%0.24240%0.402CS..EExtended strand (participates in β ladder)trans-93.4103.4168.8-72-178.3-73.1171.3-6.7109.1D170 I171 V172 A200 A203 V205D170-R211 PolarHBondContact O-N 2.9Å; I171-R211 WeakPolarHBondContact CA-O 3.49Å; I171-R211 HydrophobicContact CG1-CB 4.22Å; V172-R211 PolarHBondContact N-O 3.41Å; A200-R211 PolarHBondContact O-NH1 2.99Å; A203-R211 HydrophobicContact CB-CB 3.91Å; A203-R211 HydrophobicContact CB-CG 4.3Å; A203-R211 WeakPolarHBondContact O-CD 3.12Å; A203-R211 WeakPolarHBondContact O-CG 3.38Å; V205-R211 HydrophobicContact CG2-CG 3.97Å
212V93.4Very high87Confident38 Ų3871.6 Ų71.623%0.2338%0.382CS..EExtended strand (participates in β ladder)trans-92.5116.8177.9-174.90000109.4V172 P174 D206 K214V172-V212 HydrophobicContact CB-CG2 4.38Å; P174-V212 HydrophobicContact CG-CG1 3.83Å; D206-V212 WeakPolarHBondContact OD2-CG2 3.45Å; V212-K214 HydrophobicContact CB-CG 4.36Å; V212-K214 HydrophobicContact CG1-CG 3.91Å; V212-K214 PolarHBondContact O-N 3.13Å
213L93.9Very high85.5Confident0 Ų069.6 Ų69.60%039%0.387CS..  trans-80.679.7-177.5-53.2-167.9000109.9I171 V172 L173 P174 T177 L196 M199 A203I171-L213 HydrophobicContact CG2-CD1 3.85Å; I171-L213 HydrophobicContact CG2-CD2 4.04Å; I171-L213 HydrophobicContact CG2-CG 3.85Å; V172-L213 PolarHBondContact O-N 2.98Å; L173-L213 HydrophobicContact CB-CD1 4.47Å; L173-L213 HydrophobicContact CD1-CB 4.02Å; L173-L213 HydrophobicContact CD1-CD1 4.12Å; P174-L213 VanDerWaalsContact CD-O 3.25Å; P174-L213 WeakPolarHBondContact CD-O 3.29Å; T177-L213 VanDerWaalsContact CB-O 3.24Å; T177-L213 WeakPolarHBondContact CB-O 3.28Å; T177-L213 WeakPolarHBondContact CG2-O 3.31Å; T177-L213 PolarHBondContact OG1-O 2.98Å; L196-L213 HydrophobicContact CD1-CD1 3.56Å; M199-L213 HydrophobicContact CB-CD1 4.06Å; M199-L213 HydrophobicContact CB-CD2 4.18Å; M199-L213 HydrophobicContact CB-CG 4.48Å; M199-L213 HydrophobicContact CE-CB 4.01Å; M199-L213 WeakPolarHBondContact O-CD2 3.36Å; A203-L213 HydrophobicContact CB-CD2 3.44Å; A203-L213 VanDerWaalsContact CB-CD2 3.44Å
214K90.5Very high83.5Confident116 Ų11676.2 Ų76.250%0.50442%0.417SS..  trans-76.8156.9-173.5-55.8179-177.5171.90113M199 V212 E216 L217 L218M199-K214 VanDerWaalsContact CE-O 3.31Å; M199-K214 WeakPolarHBondContact CE-O 3.42Å; V212-K214 HydrophobicContact CB-CG 4.36Å; V212-K214 HydrophobicContact CG1-CG 3.91Å; V212-K214 PolarHBondContact O-N 3.13Å; K214-E216 WeakPolarHBondContact CB-OE2 3.37Å; K214-E216 PolarHBondContact O-N 2.85Å; K214-L217 WeakPolarHBondContact O-CB 3.46Å; K214-L217 PolarHBondContact O-N 3.21Å; K214-L218 PolarHBondContact O-N 3.42Å
215P88.4Confident81.6Confident32 Ų3271.1 Ų71.121%0.20839%0.39CS..Hα-helixtrans-59.5-28.2177.7-25.536.1000114.8E176 T177 L217 L218 T219E176-P215 HydrophobicContact CG-CG 3.87Å; T177-P215 VanDerWaalsContact OG1-CD 3.3Å; T177-P215 WeakPolarHBondContact OG1-CD 3.36Å; P215-L217 VanDerWaalsContact C-N 3.34Å; P215-L217 PolarHBondContact O-N 3.45Å; P215-L218 WeakPolarHBondContact O-CB 3.43Å; P215-L218 PolarHBondContact O-N 2.95Å; P215-T219 PolarHBondContact O-N 3.1Å; P215-T219 VanDerWaalsContact O-N 3.12Å; P215-T219 PolarHBondContact O-OG1 2.89Å; P215-T219 VanDerWaalsContact O-OG1 3.07Å
216E86.6Confident79.4Confident117 Ų11771.9 Ų71.955%0.54740%0.399SS..Hα-helixtrans-62.5-43.7177.5-62.174.3-158.900110.9K214 L218 T219 E220K214-E216 WeakPolarHBondContact CB-OE2 3.37Å; K214-E216 PolarHBondContact O-N 2.85Å; E216-L218 VanDerWaalsContact C-N 3.29Å; E216-L218 PolarHBondContact O-N 3.17Å; E216-T219 WeakPolarHBondContact O-CA 3.42Å; E216-T219 VanDerWaalsContact O-CB 3.31Å; E216-T219 WeakPolarHBondContact O-CB 3.49Å; E216-T219 PolarHBondContact O-N 2.95Å; E216-E220 PolarHBondContact O-N 2.89Å
217L89.7Confident77.1Confident25 Ų2573.6 Ų73.613%0.13142%0.421CS..Hα-helixtrans-62.6-37.1176.8-179.162.4000111.8M199 M202 A203 K214 P215 T219 E220 I221M199-L217 HydrophobicContact CB-CD2 4.19Å; M199-L217 HydrophobicContact CE-CB 4.08Å; M199-L217 HydrophobicContact CE-CD2 4.27Å; M199-L217 HydrophobicContact CE-CG 4.23Å; M199-L217 HydrophobicContact CG-CD2 4.47Å; M199-L217 WeakPolarHBondContact O-CD2 3.29Å; M202-L217 HydrophobicContact CB-CD1 3.88Å; M202-L217 HydrophobicContact CB-CD2 4.41Å; A203-L217 HydrophobicContact CB-CD2 3.94Å; K214-L217 WeakPolarHBondContact O-CB 3.46Å; K214-L217 PolarHBondContact O-N 3.21Å; P215-L217 VanDerWaalsContact C-N 3.34Å; P215-L217 PolarHBondContact O-N 3.45Å; L217-T219 VanDerWaalsContact C-N 3.27Å; L217-T219 PolarHBondContact O-N 3.3Å; L217-E220 PolarHBondContact O-N 3.42Å; L217-I221 HydrophobicContact CD1-CD1 4.12Å; L217-I221 HydrophobicContact CG-CD1 3.92Å; L217-I221 WeakPolarHBondContact O-CD1 3.38Å; L217-I221 WeakPolarHBondContact O-CG1 3.32Å; L217-I221 PolarHBondContact O-N 2.82Å
218L89.8Confident75.2Confident11 Ų1175.3 Ų75.36%0.05841%0.414CS..Hα-helixtrans-62.3-38.7174.4178.862.7000111A180 I181 L184 T195 M199 K214 P215 E216 I221 A222A180-L218 HydrophobicContact CB-CD2 3.56Å; I181-L218 HydrophobicContact CG1-CD1 3.93Å; I181-L218 HydrophobicContact CG1-CD2 3.95Å; L184-L218 HydrophobicContact CD2-CD1 3.82Å; L184-L218 HydrophobicContact CD2-CG 4.42Å; T195-L218 HydrophobicContact CG2-CD1 3.52Å; M199-L218 HydrophobicContact CE-CB 3.77Å; M199-L218 HydrophobicContact SD-CB 4.03Å; M199-L218 HydrophobicContact SD-CD1 3.96Å; K214-L218 PolarHBondContact O-N 3.42Å; P215-L218 WeakPolarHBondContact O-CB 3.43Å; P215-L218 PolarHBondContact O-N 2.95Å; E216-L218 VanDerWaalsContact C-N 3.29Å; E216-L218 PolarHBondContact O-N 3.17Å; L218-I221 PolarHBondContact O-N 3.27Å; L218-A222 WeakPolarHBondContact O-CB 3.13Å; L218-A222 PolarHBondContact O-N 2.94Å
219T82.2Confident73.4Confident100 Ų10076.1 Ų76.161%0.61341%0.408SS*.Hα-helixtrans-66.7-42.9179.7-54.10000111.1P215 E216 L217 A222 G223P215-T219 PolarHBondContact O-N 3.1Å; P215-T219 VanDerWaalsContact O-N 3.12Å; P215-T219 PolarHBondContact O-OG1 2.89Å; P215-T219 VanDerWaalsContact O-OG1 3.07Å; E216-T219 WeakPolarHBondContact O-CA 3.42Å; E216-T219 VanDerWaalsContact O-CB 3.31Å; E216-T219 WeakPolarHBondContact O-CB 3.49Å; E216-T219 PolarHBondContact O-N 2.95Å; L217-T219 VanDerWaalsContact C-N 3.27Å; L217-T219 PolarHBondContact O-N 3.3Å; T219-A222 PolarHBondContact O-N 3.12Å; T219-G223 PolarHBondContact O-N 3.1Å
220E80.1Confident71.7Confident139 Ų13979.4 Ų79.465%0.6542%0.416SS*.Hα-helixtrans-59.1-47.7174.5-68.6175.6-175.500111.3E216 L217E216-E220 PolarHBondContact O-N 2.89Å; L217-E220 PolarHBondContact O-N 3.42Å
221I79.1Confident69.9Low5 Ų578.3 Ų78.33%0.02642%0.415CS..Hα-helixtrans-67.5-40.5178.7-71.2163.1000112.5M198 M199 M202 L217 L218M198-I221 HydrophobicContact CB-CD1 4.41Å; M198-I221 HydrophobicContact CG-CD1 3.93Å; M198-I221 HydrophobicContact CG-CG1 4.09Å; M198-I221 HydrophobicContact CG-CG2 4.03Å; M198-I221 HydrophobicContact SD-CB 4.46Å; M198-I221 HydrophobicContact SD-CG1 4.32Å; M198-I221 HydrophobicContact SD-CG2 3.43Å; M198-I221 WeakPolarHBondContact SD-CG2 3.35Å; M199-I221 HydrophobicContact CB-CD1 4.23Å; M199-I221 HydrophobicContact CG-CD1 3.49Å; M199-I221 VanDerWaalsContact CG-CD1 3.49Å; M202-I221 HydrophobicContact SD-CD1 3.81Å; M202-I221 HydrophobicContact SD-CG1 3.54Å; M202-I221 VanDerWaalsContact SD-CG1 3.54Å; L217-I221 HydrophobicContact CD1-CD1 4.12Å; L217-I221 HydrophobicContact CG-CD1 3.92Å; L217-I221 WeakPolarHBondContact O-CD1 3.38Å; L217-I221 WeakPolarHBondContact O-CG1 3.32Å; L217-I221 PolarHBondContact O-N 2.82Å; L218-I221 PolarHBondContact O-N 3.27Å
222A72.3Confident68Low25 Ų2580.8 Ų80.821%0.20743%0.427CS..Hα-helixtrans-71.9-35-177.600000112L184 L218 T219 E224 R225 S226L184-A222 HydrophobicContact CD1-CB 4.44Å; L184-A222 HydrophobicContact CD2-CB 3.94Å; L218-A222 WeakPolarHBondContact O-CB 3.13Å; L218-A222 PolarHBondContact O-N 2.94Å; T219-A222 PolarHBondContact O-N 3.12Å; A222-E224 PolarHBondContact O-N 3.42Å; A222-R225 PolarHBondContact O-N 3.02Å; A222-S226 PolarHBondContact O-N 3.39Å
223G57.1Low66.5Low58 Ų5880 Ų8060%0.59843%0.427SS*.Hα-helixtrans-54.7-38.917700000112.8T219T219-G223 PolarHBondContact O-N 3.1Å
224E49.6Very low65.1Low152 Ų15282.4 Ų82.471%0.7144%0.44SS*.Hα-helixtrans-72.9-26.9176-68.8-166.4153.500113.8A222A222-E224 PolarHBondContact O-N 3.42Å
225R48.2Very low64.2Low68 Ų6881.9 Ų81.926%0.25743%0.434SS..Hα-helixtrans-87.9-19.6-172.7-75.1-168.7-174.6-178.56115.1T195 M198 A222 A227 R228T195-R225 PolarHBondContact OG1-NH1 3.37Å; M198-R225 VanDerWaalsContact CE-NH2 3.26Å; M198-R225 PolarHBondContact SD-NH2 3.04Å; A222-R225 PolarHBondContact O-N 3.02Å; R225-A227 PolarHBondContact O-N 3.44Å; R225-R228 PolarHBondContact O-N 3.17Å
226S42.9Very low63.6Low110 Ų11081.5 Ų81.577%0.76943%0.429SS*.G310 helixtrans-57.5-21.2179.9-149.80000112.7A222 R228A222-S226 PolarHBondContact O-N 3.39Å; S226-R228 VanDerWaalsContact C-N 3.32Å; S226-R228 PolarHBondContact O-N 3.05Å
227A37.8Very low63.3Low93 Ų9380.7 Ų80.777%0.76942%0.422SS*.G310 helixtrans-74.4-4.6176.200000116.1R225R225-A227 PolarHBondContact O-N 3.44Å
228R42.3Very low63.2Low220 Ų22084.9 Ų84.983%0.8345%0.445SS*.G310 helixtrans-123.728.1-166-73.8-174.8172.7169.40.3116.9R225 S226R225-R228 PolarHBondContact O-N 3.17Å; S226-R228 VanDerWaalsContact C-N 3.32Å; S226-R228 PolarHBondContact O-N 3.05Å
229F48Very low63.3Low98 Ų9885 Ų8543%0.4345%0.446SS..  trans-67.4143.6-175.4-145.8-91.8000114.2A265F229-A265 WeakPolarHBondContact CB-O 3.38Å; F229-A265 WeakPolarHBondContact CD1-O 3.4Å; F229-A265 VanDerWaalsContact CG-O 3.23Å; F229-A265 WeakPolarHBondContact CG-O 3.49Å
230D51.7Low63.8Low106 Ų10680.8 Ų80.857%0.56742%0.419SS*.  trans-91.1121.9-172.9-176.611.2000112.2K232D230-K232 VanDerWaalsContact C-N 3.3Å; D230-K232 PolarHBondContact O-N 3.26Å
231N51.3Low64.4Low68 Ų6876.2 Ų76.236%0.36440%0.402SS..THydrogen-bonded Turntrans-84.728.6-169.6-75.8-21.2000115G266 G267N231-G266 PolarHBondContact ND2-O 2.93Å; N231-G266 VanDerWaalsContact ND2-O 3.12Å; N231-G266 PolarHBondContact OD1-O 3.33Å; N231-G267 WeakPolarHBondContact OD1-CA 3.42Å
232K54Low65.3Low115 Ų11577 Ų7750%0.541%0.41SS..THydrogen-bonded Turntrans-138.815.3-169.2-63.5-174.7179.21770117D230D230-K232 VanDerWaalsContact C-N 3.3Å; D230-K232 PolarHBondContact O-N 3.26Å
233G60.7Low66.5Low22 Ų2276 Ų7623%0.22740%0.401CS..SBendtrans-96.6160.6-17800000115.8R235 F236G233-R235 PolarHBondContact O-N 3.32Å; G233-R235 VanDerWaalsContact O-N 3.1Å; G233-F236 WeakPolarHBondContact O-CB 3.49Å; G233-F236 PolarHBondContact O-N 3.45Å
234D64.1Low68.4Low50 Ų5074.3 Ų74.327%0.26738%0.377SS..Hα-helixtrans-46.9-39.5173.7-70.9-35000113F236 Y237 D238D234-F236 VanDerWaalsContact C-N 3.28Å; D234-F236 PolarHBondContact O-N 3.45Å; D234-Y237 WeakPolarHBondContact O-CB 3.31Å; D234-Y237 PolarHBondContact O-N 3.35Å; D234-Y237 VanDerWaalsContact O-N 3.1Å; D234-D238 PolarHBondContact O-N 3.04Å
235R72.1Confident70.7Confident105 Ų10573.5 Ų73.540%0.39637%0.371SS..Hα-helixtrans-61.2-34.5178.4-174.8174.3174.9180-4.2112.8N186 G233 D238 L239 R261N186-R235 PolarHBondContact ND2-NH1 2.75Å; G233-R235 PolarHBondContact O-N 3.32Å; G233-R235 VanDerWaalsContact O-N 3.1Å; R235-D238 PolarHBondContact O-N 3.19Å; R235-L239 VanDerWaalsContact O-CG 3.27Å; R235-L239 WeakPolarHBondContact O-CG 3.3Å; R235-L239 PolarHBondContact O-N 3.4Å; R235-R261 VanDerWaalsContact NH2-NH2 3.19Å
236F75.7Confident73.1Confident24 Ų2471 Ų7111%0.10536%0.364CS..Hα-helixtrans-66.7-42.7175.7-178.8-98.1000110.5G233 D234 D238 L239 I240 I262 Y271G233-F236 WeakPolarHBondContact O-CB 3.49Å; G233-F236 PolarHBondContact O-N 3.45Å; D234-F236 VanDerWaalsContact C-N 3.28Å; D234-F236 PolarHBondContact O-N 3.45Å; F236-D238 VanDerWaalsContact C-N 3.33Å; F236-D238 PolarHBondContact O-N 3Å; F236-L239 PolarHBondContact O-N 2.99Å; F236-I240 HydrophobicContact CD1-CG1 4.07Å; F236-I240 HydrophobicContact CE1-CD1 4.25Å; F236-I240 HydrophobicContact CE1-CG1 3.73Å; F236-I240 HydrophobicContact CE2-CG1 4.46Å; F236-I240 HydrophobicContact CZ-CD1 4.02Å; F236-I240 HydrophobicContact CZ-CG1 3.94Å; F236-I240 VanDerWaalsContact O-CG1 3.3Å; F236-I240 WeakPolarHBondContact O-CG1 3.43Å; F236-I240 PolarHBondContact O-N 3.29Å; F236-I262 HydrophobicContact CE2-CG2 3.8Å; F236-Y271 AromaticContact CE1-CD1 3.69Å; F236-Y271 HydrophobicContact CE1-CD1 3.69Å; F236-Y271 HydrophobicContact CE1-CD2 4.17Å; F236-Y271 AromaticContact CE1-CE1 3.7Å; F236-Y271 HydrophobicContact CE1-CE1 3.7Å; F236-Y271 HydrophobicContact CE1-CE2 4.17Å; F236-Y271 AromaticContact CE1-CG 3.95Å; F236-Y271 HydrophobicContact CE1-CG 3.95Å; F236-Y271 AromaticContact CE1-CZ 3.95Å; F236-Y271 AromaticContact CZ-CD1 3.68Å; F236-Y271 HydrophobicContact CZ-CD1 3.68Å; F236-Y271 HydrophobicContact CZ-CD2 4.43Å; F236-Y271 HydrophobicContact CZ-CE1 4.16Å; F236-Y271 AromaticContact CZ-CG 3.85Å; F236-Y271 HydrophobicContact CZ-CG 3.85Å
237Y80.7Confident75.7Confident101 Ų10165.8 Ų65.840%0.39633%0.328SS..Hα-helixtrans-62.3-39.4174.7-72.3-74.9000112.2E124 D234 I240 S241E124-Y237 WeakPolarHBondContact OE2-CE2 3.36Å; E124-Y237 PolarHBondContact OE2-OH 3.35Å; D234-Y237 WeakPolarHBondContact O-CB 3.31Å; D234-Y237 PolarHBondContact O-N 3.35Å; D234-Y237 VanDerWaalsContact O-N 3.1Å; Y237-I240 PolarHBondContact O-N 3.42Å; Y237-S241 WeakPolarHBondContact O-CB 3.06Å; Y237-S241 PolarHBondContact O-N 3.35Å
238D87.3Confident78.6Confident112 Ų11266.2 Ų66.260%0.59931%0.31SS*.Hα-helixtrans-62.9-43.8174.8-73.5-26.6000111.9D234 R235 F236 S241 A242D234-D238 PolarHBondContact O-N 3.04Å; R235-D238 PolarHBondContact O-N 3.19Å; F236-D238 VanDerWaalsContact C-N 3.33Å; F236-D238 PolarHBondContact O-N 3Å; D238-S241 PolarHBondContact O-N 2.8Å; D238-A242 VanDerWaalsContact O-CB 3.29Å; D238-A242 WeakPolarHBondContact O-CB 3.41Å; D238-A242 PolarHBondContact O-N 3.43Å
239L92.3Very high81.2Confident15 Ų1558.5 Ų58.58%0.07930%0.299CS..Hα-helixtrans-63.2-43.4176.3-69.4173.1000112R235 F236 A242 L243 W258 R261 I262R235-L239 VanDerWaalsContact O-CG 3.27Å; R235-L239 WeakPolarHBondContact O-CG 3.3Å; R235-L239 PolarHBondContact O-N 3.4Å; F236-L239 PolarHBondContact O-N 2.99Å; L239-A242 PolarHBondContact O-N 3.48Å; L239-L243 WeakPolarHBondContact O-CB 3.47Å; L239-L243 PolarHBondContact O-N 2.84Å; L239-W258 HydrophobicContact CD2-CE3 3.62Å; L239-W258 HydrophobicContact CD2-CZ3 3.85Å; L239-R261 HydrophobicContact CD2-CB 3.92Å; L239-I262 HydrophobicContact CB-CD1 4.25Å; L239-I262 HydrophobicContact CB-CG1 3.72Å; L239-I262 HydrophobicContact CD1-CG1 4.26Å
240I92.8Very high83.6Confident11 Ų1156.9 Ų56.96%0.05630%0.299CS..Hα-helixtrans-64.5-42.6175.7-69.5-68.4000111.4F236 Y237 A242 L243 H244 I262 Y271 V272 R275F236-I240 HydrophobicContact CD1-CG1 4.07Å; F236-I240 HydrophobicContact CE1-CD1 4.25Å; F236-I240 HydrophobicContact CE1-CG1 3.73Å; F236-I240 HydrophobicContact CE2-CG1 4.46Å; F236-I240 HydrophobicContact CZ-CD1 4.02Å; F236-I240 HydrophobicContact CZ-CG1 3.94Å; F236-I240 VanDerWaalsContact O-CG1 3.3Å; F236-I240 WeakPolarHBondContact O-CG1 3.43Å; F236-I240 PolarHBondContact O-N 3.29Å; Y237-I240 PolarHBondContact O-N 3.42Å; I240-A242 VanDerWaalsContact C-N 3.34Å; I240-L243 PolarHBondContact O-N 2.96Å; I240-H244 WeakPolarHBondContact O-CB 3.28Å; I240-H244 PolarHBondContact O-N 3.38Å; I240-I262 HydrophobicContact CD1-CD1 3.63Å; I240-I262 HydrophobicContact CG1-CD1 4.29Å; I240-Y271 HydrophobicContact CB-CE1 4.47Å; I240-Y271 HydrophobicContact CD1-CD1 3.57Å; I240-Y271 HydrophobicContact CD1-CE1 3.66Å; I240-Y271 HydrophobicContact CG1-CD1 4.09Å; I240-Y271 HydrophobicContact CG1-CE1 3.73Å; I240-Y271 HydrophobicContact CG2-CE1 4.03Å; I240-V272 HydrophobicContact CD1-CG2 4.02Å; I240-R275 HydrophobicContact CG2-CG 3.97Å
241S93.2Very high85.8Confident42 Ų4253.6 Ų53.629%0.29429%0.287SS..Hα-helixtrans-61.8-43.5176.6-177.90000110.9Y237 D238 H244 K245Y237-S241 WeakPolarHBondContact O-CB 3.06Å; Y237-S241 PolarHBondContact O-N 3.35Å; D238-S241 PolarHBondContact O-N 2.8Å; S241-H244 PolarHBondContact O-N 3.4Å; S241-K245 WeakPolarHBondContact O-CB 3.23Å; S241-K245 VanDerWaalsContact O-CG 3.28Å; S241-K245 WeakPolarHBondContact O-CG 3.17Å; S241-K245 PolarHBondContact O-N 3.03Å; S241-K245 WeakPolarHBondContact OG-CE 3.29Å; S241-K245 PolarHBondContact OG-NZ 3.34Å
242A96.7Very high88.1Confident23 Ų2351.8 Ų51.819%0.1928%0.279CS..Hα-helixtrans-64.5-46.2176.100000111.7D238 L239 I240 H244 K245 S246 W258D238-A242 VanDerWaalsContact O-CB 3.29Å; D238-A242 WeakPolarHBondContact O-CB 3.41Å; D238-A242 PolarHBondContact O-N 3.43Å; L239-A242 PolarHBondContact O-N 3.48Å; I240-A242 VanDerWaalsContact C-N 3.34Å; A242-H244 PolarHBondContact O-N 2.94Å; A242-K245 PolarHBondContact O-N 3.34Å; A242-S246 WeakPolarHBondContact O-CB 3.27Å; A242-S246 PolarHBondContact O-N 2.77Å; A242-S246 PolarHBondContact O-OG 2.9Å; A242-S246 VanDerWaalsContact O-OG 3.05Å; A242-W258 HydrophobicContact CB-CD2 3.62Å; A242-W258 HydrophobicContact CB-CE3 4.19Å; A242-W258 HydrophobicContact CB-CG 3.78Å; A242-W258 HydrophobicContact CB-CZ2 4.15Å
243L97.8Very high90.2Very high3 Ų352.5 Ų52.52%0.01629%0.288CS..Hα-helixtrans-54-51.9172.7172.164.5000111.4L239 I240 K245 S246 V247 A255 W258 I262 V272 I318L239-L243 WeakPolarHBondContact O-CB 3.47Å; L239-L243 PolarHBondContact O-N 2.84Å; I240-L243 PolarHBondContact O-N 2.96Å; L243-K245 PolarHBondContact O-N 3.33Å; L243-S246 PolarHBondContact O-N 2.99Å; L243-V247 HydrophobicContact CD1-CG2 4.32Å; L243-V247 WeakPolarHBondContact O-CG2 3.43Å; L243-V247 PolarHBondContact O-N 2.95Å; L243-A255 HydrophobicContact CD1-CB 4Å; L243-A255 WeakPolarHBondContact CD1-O 3.39Å; L243-W258 HydrophobicContact CB-CB 3.88Å; L243-I262 HydrophobicContact CB-CD1 4.41Å; L243-I262 HydrophobicContact CD2-CD1 3.99Å; L243-V272 HydrophobicContact CD2-CG1 3.52Å; L243-V272 HydrophobicContact CD2-CG2 4.44Å; L243-I318 HydrophobicContact CD1-CD1 4.2Å; L243-I318 HydrophobicContact CD1-CG2 3.99Å; L243-I318 HydrophobicContact CD2-CD1 4.47Å
244H97.2Very high92Very high22 Ų2253.2 Ų53.210%0.10229%0.292CS..Hα-helixtrans-59.2-48.8-178.9-174-177.5000111.7I240 S241 A242 S246 V247 R248 R275 I279 D283I240-H244 WeakPolarHBondContact O-CB 3.28Å; I240-H244 PolarHBondContact O-N 3.38Å; S241-H244 PolarHBondContact O-N 3.4Å; A242-H244 PolarHBondContact O-N 2.94Å; H244-S246 VanDerWaalsContact C-N 3.33Å; H244-S246 PolarHBondContact O-N 3.23Å; H244-V247 PolarHBondContact O-N 3.23Å; H244-R248 PolarHBondContact CE1-NH2 2.93Å; H244-R248 PolarHBondContact NE2-NH2 3.46Å; H244-R248 WeakPolarHBondContact O-CB 3.34Å; H244-R248 PolarHBondContact O-N 3.49Å; H244-R275 PolarHBondContact CE1-NH2 3.29Å; H244-R275 PolarHBondContact ND1-NH2 3.38Å; H244-I279 HydrophobicContact CB-CD1 4.43Å; H244-I279 WeakPolarHBondContact CD2-CG1 3.13Å; H244-D283 IonicContact CD2-OD2 3.91Å; H244-D283 PolarHBondContact CD2-OD2 2.97Å; H244-D283 VanDerWaalsContact CD2-OD2 3.25Å; H244-D283 IonicContact NE2-OD2 3.24Å; H244-D283 PolarHBondContact NE2-OD2 2.97Å
245K97.7Very high93.6Very high135 Ų13550.8 Ų50.859%0.58728%0.279SS*.Hα-helixtrans-63.8-37.1179-71.9168.1-176.8166.80112.1S241 A242 L243 R248 G249S241-K245 WeakPolarHBondContact O-CB 3.23Å; S241-K245 VanDerWaalsContact O-CG 3.28Å; S241-K245 WeakPolarHBondContact O-CG 3.17Å; S241-K245 PolarHBondContact O-N 3.03Å; S241-K245 WeakPolarHBondContact OG-CE 3.29Å; S241-K245 PolarHBondContact OG-NZ 3.34Å; A242-K245 PolarHBondContact O-N 3.34Å; L243-K245 PolarHBondContact O-N 3.33Å; K245-R248 PolarHBondContact O-N 2.8Å; K245-G249 PolarHBondContact O-N 3.02Å
246S98.4Very high94.9Very high15 Ų1548.7 Ų48.711%0.10528%0.275CS..Hα-helixtrans-64.4-42.8174.8-66.60000112.1A242 L243 H244 G249 S250 A251 A254 W258A242-S246 WeakPolarHBondContact O-CB 3.27Å; A242-S246 PolarHBondContact O-N 2.77Å; A242-S246 PolarHBondContact O-OG 2.9Å; A242-S246 VanDerWaalsContact O-OG 3.05Å; L243-S246 PolarHBondContact O-N 2.99Å; H244-S246 VanDerWaalsContact C-N 3.33Å; H244-S246 PolarHBondContact O-N 3.23Å; S246-G249 CarbonylContact O-C 3.02Å; S246-G249 PolarHBondContact O-N 3.12Å; S246-S250 PolarHBondContact O-N 3.42Å; S246-A251 PolarHBondContact O-N 3.12Å; S246-A254 WeakPolarHBondContact OG-CB 3.17Å; S246-W258 PolarHBondContact OG-NE1 3.22Å
247V98.4Very high95.9Very high1 Ų153.1 Ų53.11%0.00629%0.292CS..Hα-helixtrans-64-47175.7177.90000110.8L243 H244 G249 S250 A255 I279 I318 L321 A322 K326L243-V247 HydrophobicContact CD1-CG2 4.32Å; L243-V247 WeakPolarHBondContact O-CG2 3.43Å; L243-V247 PolarHBondContact O-N 2.95Å; H244-V247 PolarHBondContact O-N 3.23Å; V247-G249 VanDerWaalsContact C-N 3.31Å; V247-G249 PolarHBondContact O-N 2.76Å; V247-S250 PolarHBondContact O-N 3.12Å; V247-S250 VanDerWaalsContact O-N 3.08Å; V247-A255 HydrophobicContact CG2-CB 3.63Å; V247-I279 HydrophobicContact CB-CD1 4.26Å; V247-I279 HydrophobicContact CB-CG2 4.36Å; V247-I279 HydrophobicContact CG1-CD1 4.4Å; V247-I279 HydrophobicContact CG1-CG2 3.51Å; V247-I279 HydrophobicContact CG2-CD1 4.39Å; V247-I318 HydrophobicContact CG2-CG2 4.01Å; V247-L321 HydrophobicContact CG1-CB 3.64Å; V247-A322 HydrophobicContact CG1-CB 4.35Å; V247-K326 WeakPolarHBondContact O-CE 3.16Å
248R97.8Very high96.7Very high103 Ų10351.9 Ų51.939%0.38929%0.287SS..Hα-helixtrans-58.9-40.9176.4-173.9-179.5-58.8-161.1-11.9112.7H244 K245 S250 E282 D283 K326H244-R248 PolarHBondContact CE1-NH2 2.93Å; H244-R248 PolarHBondContact NE2-NH2 3.46Å; H244-R248 WeakPolarHBondContact O-CB 3.34Å; H244-R248 PolarHBondContact O-N 3.49Å; K245-R248 PolarHBondContact O-N 2.8Å; R248-S250 PolarHBondContact O-N 2.95Å; R248-E282 IonicContact CZ-OE1 2.7Å; R248-E282 IonicContact NH2-OE1 3.29Å; R248-E282 PolarHBondContact NH2-OE1 2.88Å; R248-D283 WeakPolarHBondContact CB-OD2 3.49Å; R248-D283 HydrophobicContact CG-CB 4.42Å; R248-D283 IonicContact CZ-OD1 2.66Å; R248-D283 IonicContact CZ-OD2 3.08Å; R248-D283 IonicContact NE-OD1 3.13Å; R248-D283 PolarHBondContact NE-OD1 2.9Å; R248-D283 IonicContact NE-OD2 2.68Å; R248-D283 PolarHBondContact NE-OD2 2.92Å; R248-D283 IonicContact NH2-OD1 2.64Å; R248-D283 PolarHBondContact NH2-OD1 2.79Å; R248-D283 IonicContact NH2-OD2 3.04Å; R248-D283 PolarHBondContact NH2-OD2 2.93Å; R248-K326 WeakPolarHBondContact O-CE 3.27Å
249G97.3Very high97.2Very high58 Ų5847 Ų4760%0.59826%0.26SS*.THydrogen-bonded Turntrans-786.6177.400000114.6K245 S246 V247 A251K245-G249 PolarHBondContact O-N 3.02Å; S246-G249 CarbonylContact O-C 3.02Å; S246-G249 PolarHBondContact O-N 3.12Å; V247-G249 VanDerWaalsContact C-N 3.31Å; V247-G249 PolarHBondContact O-N 2.76Å; G249-A251 VanDerWaalsContact C-N 3.29Å; G249-A251 PolarHBondContact O-N 3.2Å
250S98.2Very high97.4Very high63 Ų6348.7 Ų48.744%0.44128%0.276SS..THydrogen-bonded Turntrans56.737.7-179.2-55.90000114.3S246 V247 R248 P252 A322 K326S246-S250 PolarHBondContact O-N 3.42Å; V247-S250 PolarHBondContact O-N 3.12Å; V247-S250 VanDerWaalsContact O-N 3.08Å; R248-S250 PolarHBondContact O-N 2.95Å; S250-P252 WeakPolarHBondContact O-CD 3.2Å; S250-A322 VanDerWaalsContact CA-O 3.28Å; S250-A322 WeakPolarHBondContact CA-O 3.5Å; S250-A322 WeakPolarHBondContact CB-O 3.25Å; S250-A322 PolarHBondContact OG-O 3.18Å; S250-K326 WeakPolarHBondContact OG-CE 3.42Å; S250-K326 PolarHBondContact OG-NZ 2.9Å
251A98.6Very high97.4Very high37 Ų3751.8 Ų51.831%0.30629%0.287SS..  trans-107.883.5177.800000110.6S246 G249 D253 A254 A255S246-A251 PolarHBondContact O-N 3.12Å; G249-A251 VanDerWaalsContact C-N 3.29Å; G249-A251 PolarHBondContact O-N 3.2Å; A251-D253 VanDerWaalsContact C-N 3.34Å; A251-D253 PolarHBondContact O-N 2.88Å; A251-A254 HydrophobicContact CB-CB 3.95Å; A251-A254 PolarHBondContact O-N 2.92Å; A251-A255 WeakPolarHBondContact O-CB 3.37Å; A251-A255 PolarHBondContact O-N 3.41Å
252P98.4Very high97.2Very high30 Ų3049.8 Ų49.820%0.19527%0.273CS..Hα-helixtrans-61-39.2-175.324-34000112.8S250 A255 L256 V319 A322S250-P252 WeakPolarHBondContact O-CD 3.2Å; P252-A255 PolarHBondContact O-N 2.9Å; P252-L256 WeakPolarHBondContact O-CG 3.28Å; P252-L256 PolarHBondContact O-N 3.44Å; P252-V319 HydrophobicContact CB-CG1 4.33Å; P252-A322 HydrophobicContact CB-CB 3.96Å
253D98.6Very high96.9Very high131 Ų13150.4 Ų50.470%0.70127%0.272SS*.Hα-helixtrans-64.8-44.7179.9-56.6-49.6000111.7A251 A255 L256 Y257A251-D253 VanDerWaalsContact C-N 3.34Å; A251-D253 PolarHBondContact O-N 2.88Å; D253-A255 VanDerWaalsContact C-N 3.34Å; D253-A255 PolarHBondContact O-N 3.01Å; D253-L256 PolarHBondContact O-N 2.91Å; D253-Y257 WeakPolarHBondContact O-CB 3.47Å; D253-Y257 PolarHBondContact O-N 3.25Å
254A98.5Very high96.3Very high36 Ų3655.6 Ų55.630%0.29830%0.304SS..Hα-helixtrans-66.2-38.4176.600000111.3S246 A251 Y257 W258S246-A254 WeakPolarHBondContact OG-CB 3.17Å; A251-A254 HydrophobicContact CB-CB 3.95Å; A251-A254 PolarHBondContact O-N 2.92Å; A254-Y257 PolarHBondContact O-N 3.44Å; A254-W258 PolarHBondContact O-N 3.32Å
255A98.4Very high95.4Very high0 Ų055.7 Ų55.70%031%0.309CS..Hα-helixtrans-63.3-47.2176.200000111.3L243 V247 A251 P252 D253 Y257 W258 Y259 I318L243-A255 HydrophobicContact CD1-CB 4Å; L243-A255 WeakPolarHBondContact CD1-O 3.39Å; V247-A255 HydrophobicContact CG2-CB 3.63Å; A251-A255 WeakPolarHBondContact O-CB 3.37Å; A251-A255 PolarHBondContact O-N 3.41Å; P252-A255 PolarHBondContact O-N 2.9Å; D253-A255 VanDerWaalsContact C-N 3.34Å; D253-A255 PolarHBondContact O-N 3.01Å; A255-Y257 VanDerWaalsContact C-N 3.32Å; A255-Y257 PolarHBondContact O-N 3.01Å; A255-W258 PolarHBondContact O-N 3.01Å; A255-Y259 PolarHBondContact O-N 3.21Å; A255-I318 HydrophobicContact CB-CG2 3.53Å
256L98Very high94.5Very high61 Ų6151.2 Ų51.232%0.31930%0.301SS..Hα-helixtrans-59.3-42.8174-78.6177.8000112.3P252 D253 W258 Y259 A260 A315 V319P252-L256 WeakPolarHBondContact O-CG 3.28Å; P252-L256 PolarHBondContact O-N 3.44Å; D253-L256 PolarHBondContact O-N 2.91Å; L256-W258 PolarHBondContact O-N 3.2Å; L256-Y259 PolarHBondContact O-N 2.92Å; L256-A260 WeakPolarHBondContact O-CB 3.44Å; L256-A260 PolarHBondContact O-N 2.83Å; L256-A315 HydrophobicContact CD2-CB 3.81Å; L256-V319 HydrophobicContact CD1-CG2 3.6Å; L256-V319 HydrophobicContact CD2-CG2 3.75Å; L256-V319 HydrophobicContact CG-CG2 3.64Å
257Y98.1Very high93.8Very high117 Ų11750.7 Ų50.746%0.45930%0.298SS..Hα-helixtrans-57.9-50.1177.1174-100.7000111.6D253 A254 A255 Y259 A260 R261D253-Y257 WeakPolarHBondContact O-CB 3.47Å; D253-Y257 PolarHBondContact O-N 3.25Å; A254-Y257 PolarHBondContact O-N 3.44Å; A255-Y257 VanDerWaalsContact C-N 3.32Å; A255-Y257 PolarHBondContact O-N 3.01Å; Y257-Y259 VanDerWaalsContact C-N 3.3Å; Y257-Y259 PolarHBondContact O-N 3.42Å; Y257-A260 PolarHBondContact O-N 3.43Å; Y257-R261 HydrophobicContact CD1-CG 4.29Å; Y257-R261 HydrophobicContact CE1-CG 3.84Å; Y257-R261 HydrophobicContact CE2-CG 4.14Å; Y257-R261 WeakPolarHBondContact O-CG 3.38Å; Y257-R261 PolarHBondContact O-N 3.27Å; Y257-R261 PolarHBondContact OH-NH1 3.38Å
258W97.7Very high93.2Very high74 Ų7453.2 Ų53.228%0.2831%0.312SS..Hα-helixtrans-65.3-36179.6-64.4124.9000112.4L239 A242 L243 S246 A254 A255 L256 R261 I262L239-W258 HydrophobicContact CD2-CE3 3.62Å; L239-W258 HydrophobicContact CD2-CZ3 3.85Å; A242-W258 HydrophobicContact CB-CD2 3.62Å; A242-W258 HydrophobicContact CB-CE3 4.19Å; A242-W258 HydrophobicContact CB-CG 3.78Å; A242-W258 HydrophobicContact CB-CZ2 4.15Å; L243-W258 HydrophobicContact CB-CB 3.88Å; S246-W258 PolarHBondContact OG-NE1 3.22Å; A254-W258 PolarHBondContact O-N 3.32Å; A255-W258 PolarHBondContact O-N 3.01Å; L256-W258 PolarHBondContact O-N 3.2Å; W258-R261 HydrophobicContact CE3-CG 4.38Å; W258-R261 PolarHBondContact O-N 2.92Å; W258-I262 WeakPolarHBondContact O-CD1 3.44Å; W258-I262 VanDerWaalsContact O-CG1 3.28Å; W258-I262 WeakPolarHBondContact O-CG1 3.43Å; W258-I262 PolarHBondContact O-N 3.26Å
259Y97.5Very high92.9Very high11 Ų1149 Ų494%0.04330%0.298CS..Hα-helixtrans-61.8-47.3172.2178.5-125000112.4A255 L256 Y257 R261 I262 I263 V272 E311 I314 A315 I318A255-Y259 PolarHBondContact O-N 3.21Å; L256-Y259 PolarHBondContact O-N 2.92Å; Y257-Y259 VanDerWaalsContact C-N 3.3Å; Y257-Y259 PolarHBondContact O-N 3.42Å; Y259-R261 VanDerWaalsContact C-N 3.27Å; Y259-R261 PolarHBondContact O-N 3.35Å; Y259-I262 WeakPolarHBondContact O-CA 3.5Å; Y259-I262 WeakPolarHBondContact O-CB 3.5Å; Y259-I262 PolarHBondContact O-N 2.93Å; Y259-I263 HydrophobicContact CD2-CD1 4.42Å; Y259-I263 HydrophobicContact CD2-CG1 4.13Å; Y259-I263 HydrophobicContact CE1-CG1 4.25Å; Y259-I263 HydrophobicContact CE2-CD1 3.63Å; Y259-I263 HydrophobicContact CE2-CG1 3.67Å; Y259-I263 WeakPolarHBondContact O-CG1 3.39Å; Y259-I263 PolarHBondContact O-N 3.45Å; Y259-V272 HydrophobicContact CD2-CB 4.11Å; Y259-V272 HydrophobicContact CD2-CG1 3.66Å; Y259-V272 HydrophobicContact CD2-CG2 3.96Å; Y259-V272 HydrophobicContact CE2-CB 3.95Å; Y259-V272 HydrophobicContact CE2-CG1 3.84Å; Y259-V272 HydrophobicContact CE2-CG2 4.02Å; Y259-E311 WeakPolarHBondContact CE1-O 3.37Å; Y259-E311 VanDerWaalsContact OH-CA 3.27Å; Y259-E311 WeakPolarHBondContact OH-CA 3.42Å; Y259-E311 PolarHBondContact OH-O 3.15Å; Y259-E311 VanDerWaalsContact OH-O 3.06Å; Y259-I314 HydrophobicContact CD2-CG2 4.48Å; Y259-I314 HydrophobicContact CE1-CB 4.5Å; Y259-I314 HydrophobicContact CE1-CG2 4.25Å; Y259-I314 HydrophobicContact CE2-CG2 3.74Å; Y259-I314 WeakPolarHBondContact OH-CB 3.4Å; Y259-A315 HydrophobicContact CD1-CB 4.14Å; Y259-A315 HydrophobicContact CE1-CB 3.93Å; Y259-I318 HydrophobicContact CD1-CD1 3.82Å; Y259-I318 HydrophobicContact CD2-CD1 3.79Å; Y259-I318 HydrophobicContact CE1-CD1 4.41Å; Y259-I318 HydrophobicContact CE2-CD1 4.36Å; Y259-I318 HydrophobicContact CG-CD1 3.47Å; Y259-I318 VanDerWaalsContact CG-CD1 3.47Å
260A95.8Very high92.7Very high49 Ų4948.1 Ų48.141%0.40528%0.279SS..Hα-helixtrans-59.2-39.3175.700000111.8L256 Y257 I262 I263 T264L256-A260 WeakPolarHBondContact O-CB 3.44Å; L256-A260 PolarHBondContact O-N 2.83Å; Y257-A260 PolarHBondContact O-N 3.43Å; A260-I262 VanDerWaalsContact C-N 3.31Å; A260-I262 PolarHBondContact O-N 3.01Å; A260-I263 PolarHBondContact O-N 3.05Å; A260-T264 WeakPolarHBondContact O-CB 3.4Å; A260-T264 VanDerWaalsContact O-CG2 3.3Å; A260-T264 WeakPolarHBondContact O-CG2 3.42Å; A260-T264 PolarHBondContact O-N 3.32Å; A260-T264 PolarHBondContact O-OG1 2.95Å
261R92.2Very high92.4Very high77 Ų7748.3 Ų48.329%0.29127%0.271SS..Hα-helixtrans-63.3-33.8173.7-67.7-60.5-59.5-80.85.9113.1R235 L239 Y257 W258 Y259 T264 A265R235-R261 VanDerWaalsContact NH2-NH2 3.19Å; L239-R261 HydrophobicContact CD2-CB 3.92Å; Y257-R261 HydrophobicContact CD1-CG 4.29Å; Y257-R261 HydrophobicContact CE1-CG 3.84Å; Y257-R261 HydrophobicContact CE2-CG 4.14Å; Y257-R261 WeakPolarHBondContact O-CG 3.38Å; Y257-R261 PolarHBondContact O-N 3.27Å; Y257-R261 PolarHBondContact OH-NH1 3.38Å; W258-R261 HydrophobicContact CE3-CG 4.38Å; W258-R261 PolarHBondContact O-N 2.92Å; Y259-R261 VanDerWaalsContact C-N 3.27Å; Y259-R261 PolarHBondContact O-N 3.35Å; R261-T264 WeakPolarHBondContact CA-OG1 3.28Å; R261-T264 PolarHBondContact O-OG1 3.47Å; R261-A265 WeakPolarHBondContact O-CB 3.3Å; R261-A265 PolarHBondContact O-N 3.23Å
262I90.3Very high92.2Very high0 Ų046.6 Ų46.60%026%0.256CS..Hα-helixtrans-68.3-50.4175.6-69.6158.7000110.2F236 L239 I240 L243 W258 Y259 A260 A265 G266 G267 V272F236-I262 HydrophobicContact CE2-CG2 3.8Å; L239-I262 HydrophobicContact CB-CD1 4.25Å; L239-I262 HydrophobicContact CB-CG1 3.72Å; L239-I262 HydrophobicContact CD1-CG1 4.26Å; I240-I262 HydrophobicContact CD1-CD1 3.63Å; I240-I262 HydrophobicContact CG1-CD1 4.29Å; L243-I262 HydrophobicContact CB-CD1 4.41Å; L243-I262 HydrophobicContact CD2-CD1 3.99Å; W258-I262 WeakPolarHBondContact O-CD1 3.44Å; W258-I262 VanDerWaalsContact O-CG1 3.28Å; W258-I262 WeakPolarHBondContact O-CG1 3.43Å; W258-I262 PolarHBondContact O-N 3.26Å; Y259-I262 WeakPolarHBondContact O-CA 3.5Å; Y259-I262 WeakPolarHBondContact O-CB 3.5Å; Y259-I262 PolarHBondContact O-N 2.93Å; A260-I262 VanDerWaalsContact C-N 3.31Å; A260-I262 PolarHBondContact O-N 3.01Å; I262-A265 CarbonylContact O-C 3.56Å; I262-A265 PolarHBondContact O-N 2.87Å; I262-G266 PolarHBondContact O-N 3Å; I262-G267 WeakPolarHBondContact O-CA 3.3Å; I262-G267 PolarHBondContact O-N 3.04Å; I262-V272 HydrophobicContact CD1-CG2 4.07Å; I262-V272 HydrophobicContact CG2-CG2 3.88Å
263I90.2Very high92.1Very high35 Ų3545.2 Ų45.218%0.17925%0.248CC..Hα-helixtrans-62.1-48.8-179.4-61.8-52.4000111.4Y259 A260 A265 G266 P269 E311Y259-I263 HydrophobicContact CD2-CD1 4.42Å; Y259-I263 HydrophobicContact CD2-CG1 4.13Å; Y259-I263 HydrophobicContact CE1-CG1 4.25Å; Y259-I263 HydrophobicContact CE2-CD1 3.63Å; Y259-I263 HydrophobicContact CE2-CG1 3.67Å; Y259-I263 WeakPolarHBondContact O-CG1 3.39Å; Y259-I263 PolarHBondContact O-N 3.45Å; A260-I263 PolarHBondContact O-N 3.05Å; I263-A265 PolarHBondContact O-N 3.41Å; I263-G266 PolarHBondContact O-N 3.48Å; I263-P269 HydrophobicContact CD1-CB 3.93Å; I263-P269 HydrophobicContact CD1-CG 3.63Å; I263-E311 HydrophobicContact CD1-CG 4.31Å
264T85Confident92Very high112 Ų11243.9 Ų43.969%0.68723%0.233SC*.Hα-helixtrans-65.5-21.2179.252.30000113.3A260 R261 G266A260-T264 WeakPolarHBondContact O-CB 3.4Å; A260-T264 VanDerWaalsContact O-CG2 3.3Å; A260-T264 WeakPolarHBondContact O-CG2 3.42Å; A260-T264 PolarHBondContact O-N 3.32Å; A260-T264 PolarHBondContact O-OG1 2.95Å; R261-T264 WeakPolarHBondContact CA-OG1 3.28Å; R261-T264 PolarHBondContact O-OG1 3.47Å; T264-G266 VanDerWaalsContact C-N 3.3Å
265A78.1Confident91.8Very high25 Ų2545.3 Ų45.321%0.20723%0.231CC..THydrogen-bonded Turntrans-88.411.817200000113.3F229 R261 I262 I263 G267F229-A265 WeakPolarHBondContact CB-O 3.38Å; F229-A265 WeakPolarHBondContact CD1-O 3.4Å; F229-A265 VanDerWaalsContact CG-O 3.23Å; F229-A265 WeakPolarHBondContact CG-O 3.49Å; R261-A265 WeakPolarHBondContact O-CB 3.3Å; R261-A265 PolarHBondContact O-N 3.23Å; I262-A265 CarbonylContact O-C 3.56Å; I262-A265 PolarHBondContact O-N 2.87Å; I263-A265 PolarHBondContact O-N 3.41Å; A265-G267 VanDerWaalsContact C-N 3.3Å; A265-G267 PolarHBondContact O-N 3.29Å
266G79.3Confident91.8Very high41 Ų4145.5 Ų45.542%0.42323%0.232SC..THydrogen-bonded Turntrans78.59.2179.400000115N231 I262 I263 T264N231-G266 PolarHBondContact ND2-O 2.93Å; N231-G266 VanDerWaalsContact ND2-O 3.12Å; N231-G266 PolarHBondContact OD1-O 3.33Å; I262-G266 PolarHBondContact O-N 3Å; I263-G266 PolarHBondContact O-N 3.48Å; T264-G266 VanDerWaalsContact C-N 3.3Å
267G83.3Confident91.8Very high4 Ų444.3 Ų44.34%0.04123%0.226CC..  trans-64.7138.4-179.200000113.1N231 I262 A265 P269N231-G267 WeakPolarHBondContact OD1-CA 3.42Å; I262-G267 WeakPolarHBondContact O-CA 3.3Å; I262-G267 PolarHBondContact O-N 3.04Å; A265-G267 VanDerWaalsContact C-N 3.3Å; A265-G267 PolarHBondContact O-N 3.29Å; G267-P269 VanDerWaalsContact O-CD 3.26Å; G267-P269 WeakPolarHBondContact O-CD 3.48Å
268D86.4Confident91.7Very high53 Ų5340.2 Ų40.228%0.28322%0.216SC..  trans-61.5115.3177.7172.522.8000111.7L270 Y271 R274D268-L270 PolarHBondContact O-N 2.9Å; D268-L270 WeakPolarHBondContact OD1-CB 3.34Å; D268-L270 PolarHBondContact OD1-N 2.71Å; D268-Y271 VanDerWaalsContact O-CB 3.28Å; D268-Y271 WeakPolarHBondContact O-CB 3.22Å; D268-Y271 PolarHBondContact O-N 3.29Å; D268-Y271 PolarHBondContact OD2-N 3.34Å; D268-R274 IonicContact OD2-NH1 3.09Å; D268-R274 IonicContact OD2-NH2 2.95Å; D268-R274 PolarHBondContact OD2-NH2 3.09Å; D268-R274 VanDerWaalsContact OD2-NH2 3.13Å
269P91.7Very high91.7Very high16 Ų1636.8 Ų36.810%0.10420%0.203CC..Hα-helixtrans-58.9-33.2176.5-18.628.2000112.7I263 G267 Y271 V272 A273 F302 E311 I314I263-P269 HydrophobicContact CD1-CB 3.93Å; I263-P269 HydrophobicContact CD1-CG 3.63Å; G267-P269 VanDerWaalsContact O-CD 3.26Å; G267-P269 WeakPolarHBondContact O-CD 3.48Å; P269-Y271 PolarHBondContact O-N 2.97Å; P269-V272 WeakPolarHBondContact O-CA 3.36Å; P269-V272 WeakPolarHBondContact O-CB 3.42Å; P269-V272 PolarHBondContact O-N 3.34Å; P269-A273 PolarHBondContact O-N 3.41Å; P269-F302 HydrophobicContact CB-CD2 3.98Å; P269-F302 HydrophobicContact CB-CE2 3.35Å; P269-F302 HydrophobicContact CB-CZ 3.79Å; P269-F302 HydrophobicContact CG-CE2 3.51Å; P269-F302 HydrophobicContact CG-CZ 3.67Å; P269-E311 HydrophobicContact CB-CG 4.27Å; P269-E311 HydrophobicContact CG-CG 4.03Å; P269-I314 HydrophobicContact CB-CD1 3.71Å; P269-I314 WeakPolarHBondContact O-CD1 3.45Å
270L92.5Very high91.7Very high39 Ų3936.5 Ų36.520%0.20420%0.202CC..Hα-helixtrans-67.7-26.8178.9-67.3175.8000112D268 V272 A273 R274 F302 T303D268-L270 PolarHBondContact O-N 2.9Å; D268-L270 WeakPolarHBondContact OD1-CB 3.34Å; D268-L270 PolarHBondContact OD1-N 2.71Å; L270-V272 VanDerWaalsContact C-N 3.31Å; L270-A273 PolarHBondContact O-N 3.24Å; L270-R274 WeakPolarHBondContact O-CG 3.5Å; L270-R274 PolarHBondContact O-N 3.5Å; L270-R274 PolarHBondContact O-NH1 3.28Å; L270-F302 HydrophobicContact CD1-CD1 4.35Å; L270-F302 HydrophobicContact CD1-CE1 4.19Å; L270-F302 HydrophobicContact CD2-CB 4.34Å; L270-F302 HydrophobicContact CD2-CD1 3.43Å; L270-F302 VanDerWaalsContact CD2-CD1 3.43Å; L270-F302 HydrophobicContact CD2-CE1 3.96Å; L270-F302 HydrophobicContact CD2-CG 3.99Å; L270-F302 HydrophobicContact CG-CD1 3.81Å; L270-F302 HydrophobicContact CG-CE1 3.77Å; L270-T303 HydrophobicContact CD2-CG2 4.23Å
271Y91.5Very high91.7Very high67 Ų6737 Ų3726%0.26320%0.203SC..Hα-helixtrans-62.2-43.5169.5-170.3-77.4000110.7F236 I240 D268 P269 R274 R275F236-Y271 AromaticContact CE1-CD1 3.69Å; F236-Y271 HydrophobicContact CE1-CD1 3.69Å; F236-Y271 HydrophobicContact CE1-CD2 4.17Å; F236-Y271 AromaticContact CE1-CE1 3.7Å; F236-Y271 HydrophobicContact CE1-CE1 3.7Å; F236-Y271 HydrophobicContact CE1-CE2 4.17Å; F236-Y271 AromaticContact CE1-CG 3.95Å; F236-Y271 HydrophobicContact CE1-CG 3.95Å; F236-Y271 AromaticContact CE1-CZ 3.95Å; F236-Y271 AromaticContact CZ-CD1 3.68Å; F236-Y271 HydrophobicContact CZ-CD1 3.68Å; F236-Y271 HydrophobicContact CZ-CD2 4.43Å; F236-Y271 HydrophobicContact CZ-CE1 4.16Å; F236-Y271 AromaticContact CZ-CG 3.85Å; F236-Y271 HydrophobicContact CZ-CG 3.85Å; I240-Y271 HydrophobicContact CB-CE1 4.47Å; I240-Y271 HydrophobicContact CD1-CD1 3.57Å; I240-Y271 HydrophobicContact CD1-CE1 3.66Å; I240-Y271 HydrophobicContact CG1-CD1 4.09Å; I240-Y271 HydrophobicContact CG1-CE1 3.73Å; I240-Y271 HydrophobicContact CG2-CE1 4.03Å; D268-Y271 VanDerWaalsContact O-CB 3.28Å; D268-Y271 WeakPolarHBondContact O-CB 3.22Å; D268-Y271 PolarHBondContact O-N 3.29Å; D268-Y271 PolarHBondContact OD2-N 3.34Å; P269-Y271 PolarHBondContact O-N 2.97Å; Y271-R274 WeakPolarHBondContact O-CB 3.31Å; Y271-R274 PolarHBondContact O-N 3.38Å; Y271-R275 HydrophobicContact CD1-CG 4.02Å; Y271-R275 HydrophobicContact CE1-CG 3.72Å; Y271-R275 WeakPolarHBondContact O-CG 3.16Å; Y271-R275 PolarHBondContact O-N 2.96Å; Y271-R275 VanDerWaalsContact O-N 3.09Å
272V95.4Very high92Very high0 Ų035 Ų350%020%0.197CC..Hα-helixtrans-66.1-40.4176.7-178.70000111.4I240 L243 Y259 I262 P269 L270 R274 R275 C276 I314 I318I240-V272 HydrophobicContact CD1-CG2 4.02Å; L243-V272 HydrophobicContact CD2-CG1 3.52Å; L243-V272 HydrophobicContact CD2-CG2 4.44Å; Y259-V272 HydrophobicContact CD2-CB 4.11Å; Y259-V272 HydrophobicContact CD2-CG1 3.66Å; Y259-V272 HydrophobicContact CD2-CG2 3.96Å; Y259-V272 HydrophobicContact CE2-CB 3.95Å; Y259-V272 HydrophobicContact CE2-CG1 3.84Å; Y259-V272 HydrophobicContact CE2-CG2 4.02Å; I262-V272 HydrophobicContact CD1-CG2 4.07Å; I262-V272 HydrophobicContact CG2-CG2 3.88Å; P269-V272 WeakPolarHBondContact O-CA 3.36Å; P269-V272 WeakPolarHBondContact O-CB 3.42Å; P269-V272 PolarHBondContact O-N 3.34Å; L270-V272 VanDerWaalsContact C-N 3.31Å; V272-R274 VanDerWaalsContact C-N 3.34Å; V272-R274 PolarHBondContact O-N 3.42Å; V272-R275 WeakPolarHBondContact O-CB 3.34Å; V272-R275 PolarHBondContact O-N 2.83Å; V272-R275 VanDerWaalsContact O-N 3.11Å; V272-C276 PolarHBondContact O-N 3.02Å; V272-C276 PolarHBondContact O-SG 2.91Å; V272-I314 HydrophobicContact CB-CG2 4.37Å; V272-I314 HydrophobicContact CG1-CG2 3.93Å; V272-I318 HydrophobicContact CG1-CD1 3.82Å
273A96.3Very high92.3Very high2 Ų235.4 Ų35.42%0.01720%0.199CC..Hα-helixtrans-58.5-43.9174.300000112.1P269 L270 R275 C276 L277 W299 I314P269-A273 PolarHBondContact O-N 3.41Å; L270-A273 PolarHBondContact O-N 3.24Å; A273-R275 VanDerWaalsContact C-N 3.31Å; A273-R275 PolarHBondContact O-N 2.89Å; A273-C276 WeakPolarHBondContact O-CB 3.21Å; A273-C276 PolarHBondContact O-N 3.1Å; A273-C276 VanDerWaalsContact O-N 3.13Å; A273-L277 PolarHBondContact O-N 3.13Å; A273-W299 HydrophobicContact CB-CB 4.24Å; A273-W299 HydrophobicContact CB-CD2 4.42Å; A273-W299 HydrophobicContact CB-CE3 4.36Å; A273-W299 HydrophobicContact CB-CG 4.39Å; A273-I314 HydrophobicContact CB-CD1 4.12Å; A273-I314 HydrophobicContact CB-CG1 4.24Å
274R95.3Very high92.7Very high102 Ų10233.7 Ų33.739%0.38519%0.191SC..Hα-helixtrans-59.1-41.5173.3-74.1-177-66.2-86.76.2112.1D268 L270 Y271 V272 C276 L277 A278 W299D268-R274 IonicContact OD2-NH1 3.09Å; D268-R274 IonicContact OD2-NH2 2.95Å; D268-R274 PolarHBondContact OD2-NH2 3.09Å; D268-R274 VanDerWaalsContact OD2-NH2 3.13Å; L270-R274 WeakPolarHBondContact O-CG 3.5Å; L270-R274 PolarHBondContact O-N 3.5Å; L270-R274 PolarHBondContact O-NH1 3.28Å; Y271-R274 WeakPolarHBondContact O-CB 3.31Å; Y271-R274 PolarHBondContact O-N 3.38Å; V272-R274 VanDerWaalsContact C-N 3.34Å; V272-R274 PolarHBondContact O-N 3.42Å; R274-C276 VanDerWaalsContact C-N 3.33Å; R274-C276 PolarHBondContact O-N 3.38Å; R274-L277 PolarHBondContact O-N 3.41Å; R274-A278 PolarHBondContact O-N 2.77Å; R274-W299 HydrophobicContact CB-CZ3 4.38Å; R274-W299 HydrophobicContact CG-CE3 4.32Å; R274-W299 HydrophobicContact CG-CH2 3.53Å; R274-W299 HydrophobicContact CG-CZ2 4.47Å; R274-W299 HydrophobicContact CG-CZ3 3.43Å; R274-W299 VanDerWaalsContact CG-CZ3 3.43Å
275R95.3Very high93.2Very high67 Ų6728.8 Ų28.825%0.25316%0.162SC..Hα-helixtrans-65.3-35.2175.8-67.7-57.6-53.2171.67.3112.3I240 H244 Y271 V272 A273 L277 A278 I279I240-R275 HydrophobicContact CG2-CG 3.97Å; H244-R275 PolarHBondContact CE1-NH2 3.29Å; H244-R275 PolarHBondContact ND1-NH2 3.38Å; Y271-R275 HydrophobicContact CD1-CG 4.02Å; Y271-R275 HydrophobicContact CE1-CG 3.72Å; Y271-R275 WeakPolarHBondContact O-CG 3.16Å; Y271-R275 PolarHBondContact O-N 2.96Å; Y271-R275 VanDerWaalsContact O-N 3.09Å; V272-R275 WeakPolarHBondContact O-CB 3.34Å; V272-R275 PolarHBondContact O-N 2.83Å; V272-R275 VanDerWaalsContact O-N 3.11Å; A273-R275 VanDerWaalsContact C-N 3.31Å; A273-R275 PolarHBondContact O-N 2.89Å; R275-L277 VanDerWaalsContact C-N 3.3Å; R275-L277 PolarHBondContact O-N 3.46Å; R275-A278 WeakPolarHBondContact O-CB 3.2Å; R275-A278 PolarHBondContact O-N 2.92Å; R275-I279 VanDerWaalsContact O-CG1 3.25Å; R275-I279 WeakPolarHBondContact O-CG1 3.38Å; R275-I279 PolarHBondContact O-N 2.96Å
276C97.7Very high94.2Very high3 Ų330.1 Ų30.12%0.0217%0.166CC..Hα-helixtrans-60.7-38.3174.7-670000112.1V272 A273 R274 I279 A280 A295 L321V272-C276 PolarHBondContact O-N 3.02Å; V272-C276 PolarHBondContact O-SG 2.91Å; A273-C276 WeakPolarHBondContact O-CB 3.21Å; A273-C276 PolarHBondContact O-N 3.1Å; A273-C276 VanDerWaalsContact O-N 3.13Å; R274-C276 VanDerWaalsContact C-N 3.33Å; R274-C276 PolarHBondContact O-N 3.38Å; C276-I279 PolarHBondContact O-N 2.88Å; C276-A280 WeakPolarHBondContact O-CB 3.35Å; C276-A280 PolarHBondContact O-N 2.93Å; C276-A295 HydrophobicContact CB-CB 4.01Å; C276-L321 HydrophobicContact CB-CD1 3.63Å; C276-L321 WeakPolarHBondContact O-CD1 3.39Å
277L97.5Very high95.1Very high37 Ų3728.3 Ų28.319%0.19415%0.147CC..Hα-helixtrans-64.4-43.6174.1-61.1177.3000112.2A273 R274 R275 I279 A280 S281 M292 A295 I296 W299A273-L277 PolarHBondContact O-N 3.13Å; R274-L277 PolarHBondContact O-N 3.41Å; R275-L277 VanDerWaalsContact C-N 3.3Å; R275-L277 PolarHBondContact O-N 3.46Å; L277-I279 VanDerWaalsContact C-N 3.34Å; L277-I279 PolarHBondContact O-N 3.26Å; L277-A280 WeakPolarHBondContact O-CB 3.44Å; L277-A280 PolarHBondContact O-N 3.27Å; L277-S281 PolarHBondContact O-N 3.07Å; L277-S281 VanDerWaalsContact O-N 3.11Å; L277-S281 PolarHBondContact O-OG 3.22Å; L277-M292 HydrophobicContact CB-SD 4.18Å; L277-M292 HydrophobicContact CD2-SD 3.61Å; L277-M292 HydrophobicContact CG-SD 4.48Å; L277-A295 HydrophobicContact CD2-CB 3.69Å; L277-A295 HydrophobicContact CG-CB 4.49Å; L277-I296 HydrophobicContact CD2-CB 4.49Å; L277-I296 HydrophobicContact CD2-CD1 4.46Å; L277-I296 HydrophobicContact CD2-CG1 3.48Å; L277-I296 VanDerWaalsContact CD2-CG1 3.48Å; L277-W299 HydrophobicContact CD1-CE3 3.64Å; L277-W299 HydrophobicContact CD1-CZ3 3.52Å; L277-W299 HydrophobicContact CG-CE3 4.44Å
278A96.3Very high95.8Very high30 Ų3028.8 Ų28.825%0.24815%0.148CC..Hα-helixtrans-59.1-47.5175.900000110.9R274 R275 A280 S281 E282R274-A278 PolarHBondContact O-N 2.77Å; R275-A278 WeakPolarHBondContact O-CB 3.2Å; R275-A278 PolarHBondContact O-N 2.92Å; A278-A280 VanDerWaalsContact C-N 3.35Å; A278-A280 PolarHBondContact O-N 2.91Å; A278-S281 PolarHBondContact O-N 3.42Å; A278-S281 PolarHBondContact O-OG 3.02Å; A278-E282 VanDerWaalsContact O-CB 3.3Å; A278-E282 WeakPolarHBondContact O-CB 3.44Å; A278-E282 PolarHBondContact O-N 3.49Å
279I97.7Very high96.2Very high3 Ų328.8 Ų28.82%0.01515%0.151CC..Hα-helixtrans-59.2-44.1176.1-68.9166.7000111.5H244 V247 R275 C276 L277 S281 E282 D283 V284 L321H244-I279 HydrophobicContact CB-CD1 4.43Å; H244-I279 WeakPolarHBondContact CD2-CG1 3.13Å; V247-I279 HydrophobicContact CB-CD1 4.26Å; V247-I279 HydrophobicContact CB-CG2 4.36Å; V247-I279 HydrophobicContact CG1-CD1 4.4Å; V247-I279 HydrophobicContact CG1-CG2 3.51Å; V247-I279 HydrophobicContact CG2-CD1 4.39Å; R275-I279 VanDerWaalsContact O-CG1 3.25Å; R275-I279 WeakPolarHBondContact O-CG1 3.38Å; R275-I279 PolarHBondContact O-N 2.96Å; C276-I279 PolarHBondContact O-N 2.88Å; L277-I279 VanDerWaalsContact C-N 3.34Å; L277-I279 PolarHBondContact O-N 3.26Å; I279-S281 VanDerWaalsContact C-N 3.28Å; I279-S281 PolarHBondContact O-N 2.85Å; I279-E282 PolarHBondContact O-N 3.44Å; I279-D283 HydrophobicContact CG2-CB 4.22Å; I279-D283 PolarHBondContact O-N 3.5Å; I279-V284 PolarHBondContact O-N 2.92Å; I279-L321 HydrophobicContact CB-CD1 4.44Å; I279-L321 HydrophobicContact CG2-CB 4.29Å; I279-L321 HydrophobicContact CG2-CD1 4.2Å
280A98Very high96.5Very high4 Ų435.1 Ų35.13%0.03317%0.173CC..Iπ-helixtrans-58.5-40.7178.600000111.8C276 L277 A278 G285 A291 M292 L321C276-A280 WeakPolarHBondContact O-CB 3.35Å; C276-A280 PolarHBondContact O-N 2.93Å; L277-A280 WeakPolarHBondContact O-CB 3.44Å; L277-A280 PolarHBondContact O-N 3.27Å; A278-A280 VanDerWaalsContact C-N 3.35Å; A278-A280 PolarHBondContact O-N 2.91Å; A280-G285 PolarHBondContact O-N 3.42Å; A280-A291 HydrophobicContact CB-CB 4.03Å; A280-M292 HydrophobicContact CB-CB 4.33Å; A280-M292 HydrophobicContact CB-CE 4.14Å; A280-M292 HydrophobicContact CB-SD 4.27Å; A280-L321 HydrophobicContact CB-CD2 3.85Å
281S96.3Very high96.8Very high60 Ų6033.3 Ų33.342%0.4216%0.164SC..Iπ-helixtrans-79.1-34.1177.4610000114.9L277 A278 I279L277-S281 PolarHBondContact O-N 3.07Å; L277-S281 VanDerWaalsContact O-N 3.11Å; L277-S281 PolarHBondContact O-OG 3.22Å; A278-S281 PolarHBondContact O-N 3.42Å; A278-S281 PolarHBondContact O-OG 3.02Å; I279-S281 VanDerWaalsContact C-N 3.28Å; I279-S281 PolarHBondContact O-N 2.85Å
282E97.1Very high97Very high34 Ų3433.2 Ų33.216%0.15917%0.167CC..Iπ-helixtrans-92.7-48.2-171.4177.5176.5151.700112.9R248 A278 I279 N328 Y331R248-E282 IonicContact CZ-OE1 2.7Å; R248-E282 IonicContact NH2-OE1 3.29Å; R248-E282 PolarHBondContact NH2-OE1 2.88Å; A278-E282 VanDerWaalsContact O-CB 3.3Å; A278-E282 WeakPolarHBondContact O-CB 3.44Å; A278-E282 PolarHBondContact O-N 3.49Å; I279-E282 PolarHBondContact O-N 3.44Å; E282-N328 WeakPolarHBondContact O-CA 3.34Å; E282-N328 WeakPolarHBondContact O-CB 3.27Å; E282-Y331 HydrophobicContact CB-CD2 4.16Å; E282-Y331 HydrophobicContact CG-CD1 4.26Å; E282-Y331 HydrophobicContact CG-CD2 3.6Å; E282-Y331 HydrophobicContact CG-CE1 4.44Å; E282-Y331 HydrophobicContact CG-CE2 3.79Å; E282-Y331 HydrophobicContact CG-CG 3.81Å; E282-Y331 WeakPolarHBondContact OE2-CE2 3.34Å
283D97.4Very high97.2Very high9 Ų939.9 Ų39.95%0.04820%0.198CC..Iπ-helixtrans-102.8-27-168.2-72.8-32.6000113.1H244 R248 I279 K326 S327H244-D283 IonicContact CD2-OD2 3.91Å; H244-D283 PolarHBondContact CD2-OD2 2.97Å; H244-D283 VanDerWaalsContact CD2-OD2 3.25Å; H244-D283 IonicContact NE2-OD2 3.24Å; H244-D283 PolarHBondContact NE2-OD2 2.97Å; R248-D283 WeakPolarHBondContact CB-OD2 3.49Å; R248-D283 HydrophobicContact CG-CB 4.42Å; R248-D283 IonicContact CZ-OD1 2.66Å; R248-D283 IonicContact CZ-OD2 3.08Å; R248-D283 IonicContact NE-OD1 3.13Å; R248-D283 PolarHBondContact NE-OD1 2.9Å; R248-D283 IonicContact NE-OD2 2.68Å; R248-D283 PolarHBondContact NE-OD2 2.92Å; R248-D283 IonicContact NH2-OD1 2.64Å; R248-D283 PolarHBondContact NH2-OD1 2.79Å; R248-D283 IonicContact NH2-OD2 3.04Å; R248-D283 PolarHBondContact NH2-OD2 2.93Å; I279-D283 HydrophobicContact CG2-CB 4.22Å; I279-D283 PolarHBondContact O-N 3.5Å; D283-K326 CarbonylContact O-C 3.55Å; D283-K326 VanDerWaalsContact O-CA 3.25Å; D283-K326 WeakPolarHBondContact O-CA 3.39Å; D283-K326 WeakPolarHBondContact O-CB 3.46Å; D283-K326 WeakPolarHBondContact O-CD 3.3Å; D283-S327 CarbonylContact C-O 3.44Å; D283-S327 PolarHBondContact O-N 3.13Å
284V98Very high97.3Very high0 Ų041.3 Ų41.30%021%0.206CC..Iπ-helixtrans-94.7-51.3173.6-178.80000110.4I279 A287 D288 A291 L321 A324 S327I279-V284 PolarHBondContact O-N 2.92Å; V284-A287 WeakPolarHBondContact O-CB 3.25Å; V284-A287 PolarHBondContact O-N 3.22Å; V284-D288 HydrophobicContact CG1-CB 3.9Å; V284-D288 WeakPolarHBondContact CG1-O 3.44Å; V284-A291 HydrophobicContact CB-CB 4Å; V284-A291 HydrophobicContact CG1-CB 3.62Å; V284-A291 HydrophobicContact CG2-CB 4.27Å; V284-L321 HydrophobicContact CG2-CD2 3.96Å; V284-A324 HydrophobicContact CG1-CB 3.84Å; V284-A324 HydrophobicContact CG2-CB 4.01Å; V284-S327 CarbonylContact C-O 3.56Å; V284-S327 PolarHBondContact O-N 3.45Å
285G97Very high97.4Very high9 Ų936.5 Ų36.59%0.09319%0.188CC..G310 helixtrans57-141.6174.800000112.7A280 A287 D288A280-G285 PolarHBondContact O-N 3.42Å; G285-A287 PolarHBondContact O-N 2.96Å; G285-D288 CarbonylContact O-C 3.57Å
286N97.7Very high97.5Very high53 Ų5336.9 Ų36.928%0.28319%0.194SC..G310 helixtrans-76.1-3.1-179.6-73.1-21.7000113.9D288 V330 Y397 E405 I408N286-D288 VanDerWaalsContact C-N 3.3Å; N286-V330 HydrophobicContact CB-CG2 4.48Å; N286-V330 WeakPolarHBondContact ND2-CG2 3.13Å; N286-Y397 PolarHBondContact ND2-OH 2.88Å; N286-E405 HydrophobicContact CB-CB 4.44Å; N286-E405 HydrophobicContact CB-CG 4.26Å; N286-E405 PolarHBondContact O-N 3.07Å; N286-I408 HydrophobicContact CB-CD1 4.01Å
287A98.1Very high97.5Very high2 Ų239.5 Ų39.52%0.01722%0.216CC..G310 helixtrans-66.6-34.5173.300000111.4V284 G285 P325 G403 L404 E405V284-A287 WeakPolarHBondContact O-CB 3.25Å; V284-A287 PolarHBondContact O-N 3.22Å; G285-A287 PolarHBondContact O-N 2.96Å; A287-P325 HydrophobicContact CB-CB 3.97Å; A287-P325 HydrophobicContact CB-CG 3.98Å; A287-P325 WeakPolarHBondContact CB-O 3.33Å; A287-P325 WeakPolarHBondContact O-CG 3.44Å; A287-G403 CarbonylContact O-C 3.57Å; A287-G403 WeakPolarHBondContact O-CA 3.46Å; A287-L404 PolarHBondContact O-N 3.24Å; A287-E405 HydrophobicContact CB-CB 4.44Å
288D98.2Very high97.5Very high14 Ų1438 Ų388%0.07521%0.209CC..  trans-146.990.9163.9-170.4-7.4000111.3V284 G285 N286 R290 A291 Y320 A324 P325V284-D288 HydrophobicContact CG1-CB 3.9Å; V284-D288 WeakPolarHBondContact CG1-O 3.44Å; G285-D288 CarbonylContact O-C 3.57Å; N286-D288 VanDerWaalsContact C-N 3.3Å; D288-R290 PolarHBondContact O-N 3.11Å; D288-R290 VanDerWaalsContact OD1-CB 3.3Å; D288-R290 WeakPolarHBondContact OD1-CB 3.28Å; D288-R290 IonicContact OD1-CZ 3.19Å; D288-R290 PolarHBondContact OD1-N 3.09Å; D288-R290 VanDerWaalsContact OD1-N 3.13Å; D288-R290 IonicContact OD1-NE 3.2Å; D288-R290 PolarHBondContact OD1-NE 3.3Å; D288-R290 IonicContact OD1-NH2 2.76Å; D288-R290 IonicContact OD2-CZ 3.6Å; D288-R290 IonicContact OD2-NE 3.18Å; D288-R290 IonicContact OD2-NH2 3.36Å; D288-R290 PolarHBondContact OD2-NH2 3.4Å; D288-A291 WeakPolarHBondContact O-CB 3.26Å; D288-A291 PolarHBondContact O-N 3.3Å; D288-Y320 PolarHBondContact OD2-OH 3.29Å; D288-A324 HydrophobicContact CB-CB 4.46Å; D288-P325 HydrophobicContact CB-CG 4.02Å
289P96.2Very high97.6Very high54 Ų5440.1 Ų40.135%0.35121%0.211SC..THydrogen-bonded Turntrans-59.7-18.8-179.3-23.833.2000114.6A291 M292 L404P289-A291 PolarHBondContact O-N 3.43Å; P289-M292 PolarHBondContact O-N 3.26Å; P289-L404 HydrophobicContact CG-CD2 3.79Å
290R97.5Very high97.5Very high148 Ų14843 Ų4356%0.55823%0.227SC*.Hα-helixtrans-68.9-19.8178-59.9172.7-62.8169.98112.2D288 M292 Q293 V294 Y320D288-R290 PolarHBondContact O-N 3.11Å; D288-R290 VanDerWaalsContact OD1-CB 3.3Å; D288-R290 WeakPolarHBondContact OD1-CB 3.28Å; D288-R290 IonicContact OD1-CZ 3.19Å; D288-R290 PolarHBondContact OD1-N 3.09Å; D288-R290 VanDerWaalsContact OD1-N 3.13Å; D288-R290 IonicContact OD1-NE 3.2Å; D288-R290 PolarHBondContact OD1-NE 3.3Å; D288-R290 IonicContact OD1-NH2 2.76Å; D288-R290 IonicContact OD2-CZ 3.6Å; D288-R290 IonicContact OD2-NE 3.18Å; D288-R290 IonicContact OD2-NH2 3.36Å; D288-R290 PolarHBondContact OD2-NH2 3.4Å; R290-M292 PolarHBondContact O-N 3.01Å; R290-Q293 WeakPolarHBondContact O-CA 3.46Å; R290-Q293 WeakPolarHBondContact O-CB 3.39Å; R290-Q293 PolarHBondContact O-N 2.99Å; R290-V294 PolarHBondContact O-N 3.4Å; R290-Y320 PolarHBondContact NH2-OH 3.03Å
291A98.1Very high97.5Very high1 Ų144.8 Ų44.81%0.00824%0.238CC..Hα-helixtrans-50.4-40.5175.300000112.9A280 V284 D288 P289 V294 A295 Y320 L321A280-A291 HydrophobicContact CB-CB 4.03Å; V284-A291 HydrophobicContact CB-CB 4Å; V284-A291 HydrophobicContact CG1-CB 3.62Å; V284-A291 HydrophobicContact CG2-CB 4.27Å; D288-A291 WeakPolarHBondContact O-CB 3.26Å; D288-A291 PolarHBondContact O-N 3.3Å; P289-A291 PolarHBondContact O-N 3.43Å; A291-V294 PolarHBondContact O-N 3.33Å; A291-A295 WeakPolarHBondContact O-CB 3.2Å; A291-A295 PolarHBondContact O-N 3.05Å; A291-Y320 HydrophobicContact CB-CE1 4.17Å; A291-L321 HydrophobicContact CB-CD2 3.56Å
292M97.1Very high97.4Very high66 Ų6643.1 Ų43.133%0.32522%0.223SC..Hα-helixtrans-63.5-43.8177-173.263.872.900111.3L277 A280 P289 R290 A295 I296L277-M292 HydrophobicContact CB-SD 4.18Å; L277-M292 HydrophobicContact CD2-SD 3.61Å; L277-M292 HydrophobicContact CG-SD 4.48Å; A280-M292 HydrophobicContact CB-CB 4.33Å; A280-M292 HydrophobicContact CB-CE 4.14Å; A280-M292 HydrophobicContact CB-SD 4.27Å; P289-M292 PolarHBondContact O-N 3.26Å; R290-M292 PolarHBondContact O-N 3.01Å; M292-A295 PolarHBondContact O-N 3.34Å; M292-I296 HydrophobicContact CG-CD1 4.12Å; M292-I296 WeakPolarHBondContact O-CG1 3.49Å; M292-I296 PolarHBondContact O-N 2.93Å
293Q97.9Very high97.2Very high139 Ų13945.3 Ų45.365%0.6524%0.239SC*.Hα-helixtrans-66.2-40.3179.4-63.7177.3-5.300111.8R290 A295 I296 A297R290-Q293 WeakPolarHBondContact O-CA 3.46Å; R290-Q293 WeakPolarHBondContact O-CB 3.39Å; R290-Q293 PolarHBondContact O-N 2.99Å; Q293-A295 VanDerWaalsContact C-N 3.35Å; Q293-I296 PolarHBondContact O-N 3.17Å; Q293-A297 VanDerWaalsContact O-CB 3.29Å; Q293-A297 WeakPolarHBondContact O-CB 3.38Å; Q293-A297 PolarHBondContact O-N 3.12Å
294V98.2Very high97.1Very high33 Ų3354.2 Ų54.220%0.227%0.272CS..Hα-helixtrans-62.1-43.4175.6174.50000110.9R290 A291 A297 A298 A317 Y320R290-V294 PolarHBondContact O-N 3.4Å; A291-V294 PolarHBondContact O-N 3.33Å; V294-A297 PolarHBondContact O-N 3.32Å; V294-A298 PolarHBondContact O-N 2.86Å; V294-A317 HydrophobicContact CG1-CB 4.09Å; V294-Y320 HydrophobicContact CB-CD1 4.16Å; V294-Y320 HydrophobicContact CB-CE1 4.48Å; V294-Y320 HydrophobicContact CB-CG 4.36Å; V294-Y320 HydrophobicContact CG1-CD1 4.15Å; V294-Y320 HydrophobicContact CG1-CD2 4.39Å; V294-Y320 HydrophobicContact CG1-CG 3.91Å; V294-Y320 HydrophobicContact CG2-CD1 4.09Å; V294-Y320 HydrophobicContact CG2-CD2 4.17Å; V294-Y320 HydrophobicContact CG2-CE1 4.03Å; V294-Y320 HydrophobicContact CG2-CE2 4.06Å; V294-Y320 HydrophobicContact CG2-CG 4.19Å
295A98Very high96.8Very high1 Ų158 Ų581%0.00830%0.295CS..Hα-helixtrans-67.2-39.8178.100000112.8C276 L277 A291 M292 Q293 A298 W299C276-A295 HydrophobicContact CB-CB 4.01Å; L277-A295 HydrophobicContact CD2-CB 3.69Å; L277-A295 HydrophobicContact CG-CB 4.49Å; A291-A295 WeakPolarHBondContact O-CB 3.2Å; A291-A295 PolarHBondContact O-N 3.05Å; M292-A295 PolarHBondContact O-N 3.34Å; Q293-A295 VanDerWaalsContact C-N 3.35Å; A295-A298 PolarHBondContact O-N 3.25Å; A295-W299 PolarHBondContact O-N 3.41Å; A295-W299 VanDerWaalsContact O-N 3.1Å
296I98.1Very high96.3Very high74 Ų7458.6 Ų58.638%0.37930%0.301SS..Hα-helixtrans-64-46172.9-68.5172.5000110.5L277 M292 Q293 A298 W299 D300L277-I296 HydrophobicContact CD2-CB 4.49Å; L277-I296 HydrophobicContact CD2-CD1 4.46Å; L277-I296 HydrophobicContact CD2-CG1 3.48Å; L277-I296 VanDerWaalsContact CD2-CG1 3.48Å; M292-I296 HydrophobicContact CG-CD1 4.12Å; M292-I296 WeakPolarHBondContact O-CG1 3.49Å; M292-I296 PolarHBondContact O-N 2.93Å; Q293-I296 PolarHBondContact O-N 3.17Å; I296-A298 VanDerWaalsContact C-N 3.25Å; I296-A298 PolarHBondContact O-N 3.1Å; I296-W299 WeakPolarHBondContact O-CB 3.25Å; I296-W299 PolarHBondContact O-N 2.94Å; I296-W299 VanDerWaalsContact O-N 3.08Å; I296-D300 PolarHBondContact O-N 3.08Å
297A97.9Very high95.7Very high58 Ų5860 Ų6048%0.47931%0.313SS..Hα-helixtrans-60.4-36.8179.300000112.1Q293 V294 C301Q293-A297 VanDerWaalsContact O-CB 3.29Å; Q293-A297 WeakPolarHBondContact O-CB 3.38Å; Q293-A297 PolarHBondContact O-N 3.12Å; V294-A297 PolarHBondContact O-N 3.32Å; A297-C301 WeakPolarHBondContact O-CB 3.38Å; A297-C301 PolarHBondContact O-N 3.43Å
298A97.7Very high95Very high5 Ų562.8 Ų62.84%0.04134%0.336CS..Hα-helixtrans-66.1-41.9173.700000112.8V294 A295 I296 F302 A313 A317V294-A298 PolarHBondContact O-N 2.86Å; A295-A298 PolarHBondContact O-N 3.25Å; I296-A298 VanDerWaalsContact C-N 3.25Å; I296-A298 PolarHBondContact O-N 3.1Å; A298-F302 PolarHBondContact O-N 3.38Å; A298-A313 HydrophobicContact CB-CB 4.27Å; A298-A313 VanDerWaalsContact CB-O 3.25Å; A298-A313 WeakPolarHBondContact CB-O 3.47Å; A298-A317 HydrophobicContact CB-CB 3.6Å
299W96.8Very high94.7Very high75 Ų7566.8 Ų66.828%0.28436%0.355SS..Hα-helixtrans-59.6-53.8172.1-175.1-36.8000110.4A273 R274 L277 A295 I296 C301 F302 T303A273-W299 HydrophobicContact CB-CB 4.24Å; A273-W299 HydrophobicContact CB-CD2 4.42Å; A273-W299 HydrophobicContact CB-CE3 4.36Å; A273-W299 HydrophobicContact CB-CG 4.39Å; R274-W299 HydrophobicContact CB-CZ3 4.38Å; R274-W299 HydrophobicContact CG-CE3 4.32Å; R274-W299 HydrophobicContact CG-CH2 3.53Å; R274-W299 HydrophobicContact CG-CZ2 4.47Å; R274-W299 HydrophobicContact CG-CZ3 3.43Å; R274-W299 VanDerWaalsContact CG-CZ3 3.43Å; L277-W299 HydrophobicContact CD1-CE3 3.64Å; L277-W299 HydrophobicContact CD1-CZ3 3.52Å; L277-W299 HydrophobicContact CG-CE3 4.44Å; A295-W299 PolarHBondContact O-N 3.41Å; A295-W299 VanDerWaalsContact O-N 3.1Å; I296-W299 WeakPolarHBondContact O-CB 3.25Å; I296-W299 PolarHBondContact O-N 2.94Å; I296-W299 VanDerWaalsContact O-N 3.08Å; W299-C301 VanDerWaalsContact C-N 3.27Å; W299-C301 PolarHBondContact O-N 3.32Å; W299-F302 WeakPolarHBondContact O-CB 2.98Å; W299-F302 PolarHBondContact O-N 2.89Å; W299-T303 PolarHBondContact O-N 3.4Å; W299-T303 PolarHBondContact O-OG1 2.92Å
300D97Very high94.6Very high65 Ų6564.2 Ų64.235%0.34834%0.338SS..Hα-helixtrans-57.2-44-178.4-78.7-14.5000111I296 F302 T303 R304I296-D300 PolarHBondContact O-N 3.08Å; D300-F302 PolarHBondContact O-N 2.86Å; D300-T303 PolarHBondContact O-N 3.01Å; D300-T303 PolarHBondContact O-OG1 3.39Å; D300-R304 WeakPolarHBondContact O-CB 3.35Å; D300-R304 WeakPolarHBondContact O-CD 3.08Å; D300-R304 WeakPolarHBondContact O-CG 3.44Å; D300-R304 PolarHBondContact O-N 3.4Å
301C96.9Very high94.5Very high41 Ų4160.1 Ų60.128%0.27733%0.325SS..Hα-helixtrans-53.1-56.5172.8-169.60000109.9A297 W299 T303 R304 V305 A313A297-C301 WeakPolarHBondContact O-CB 3.38Å; A297-C301 PolarHBondContact O-N 3.43Å; W299-C301 VanDerWaalsContact C-N 3.27Å; W299-C301 PolarHBondContact O-N 3.32Å; C301-T303 VanDerWaalsContact C-N 3.28Å; C301-T303 PolarHBondContact O-N 3.04Å; C301-R304 PolarHBondContact O-N 3.43Å; C301-V305 WeakPolarHBondContact O-CG2 3.46Å; C301-V305 PolarHBondContact O-N 3.39Å; C301-V305 VanDerWaalsContact SG-CG2 3.52Å; C301-A313 HydrophobicContact CB-CB 3.64Å
302F95.4Very high94.5Very high25 Ų2567.9 Ų67.911%0.1135%0.354CS..Hα-helixtrans-50.5-47.2179-172.7-78.2000113.2P269 L270 A298 W299 D300 R304 G306 P307 G310 E311 I314P269-F302 HydrophobicContact CB-CD2 3.98Å; P269-F302 HydrophobicContact CB-CE2 3.35Å; P269-F302 HydrophobicContact CB-CZ 3.79Å; P269-F302 HydrophobicContact CG-CE2 3.51Å; P269-F302 HydrophobicContact CG-CZ 3.67Å; L270-F302 HydrophobicContact CD1-CD1 4.35Å; L270-F302 HydrophobicContact CD1-CE1 4.19Å; L270-F302 HydrophobicContact CD2-CB 4.34Å; L270-F302 HydrophobicContact CD2-CD1 3.43Å; L270-F302 VanDerWaalsContact CD2-CD1 3.43Å; L270-F302 HydrophobicContact CD2-CE1 3.96Å; L270-F302 HydrophobicContact CD2-CG 3.99Å; L270-F302 HydrophobicContact CG-CD1 3.81Å; L270-F302 HydrophobicContact CG-CE1 3.77Å; A298-F302 PolarHBondContact O-N 3.38Å; W299-F302 WeakPolarHBondContact O-CB 2.98Å; W299-F302 PolarHBondContact O-N 2.89Å; D300-F302 PolarHBondContact O-N 2.86Å; F302-R304 VanDerWaalsContact C-N 3.27Å; F302-R304 PolarHBondContact O-N 3.12Å; F302-G306 WeakPolarHBondContact O-CA 3.45Å; F302-G306 PolarHBondContact O-N 3.11Å; F302-G306 VanDerWaalsContact O-N 3.17Å; F302-P307 HydrophobicContact CE2-CB 4.48Å; F302-P307 HydrophobicContact CZ-CB 4.4Å; F302-G310 VanDerWaalsContact CD2-C 3.47Å; F302-E311 HydrophobicContact CE2-CG 4.07Å; F302-I314 HydrophobicContact CB-CD1 4.29Å; F302-I314 HydrophobicContact CD2-CD1 3.63Å; F302-I314 HydrophobicContact CE2-CD1 4.35Å; F302-I314 HydrophobicContact CG-CD1 4.16Å
303T91.7Very high94.5Very high79 Ų7965.3 Ų65.349%0.48534%0.343SS..Hα-helixtrans-70.1-21.1-179.558.10000114.3L270 W299 D300 C301L270-T303 HydrophobicContact CD2-CG2 4.23Å; W299-T303 PolarHBondContact O-N 3.4Å; W299-T303 PolarHBondContact O-OG1 2.92Å; D300-T303 PolarHBondContact O-N 3.01Å; D300-T303 PolarHBondContact O-OG1 3.39Å; C301-T303 VanDerWaalsContact C-N 3.28Å; C301-T303 PolarHBondContact O-N 3.04Å
304R94.9Very high94.5Very high197 Ų19758.7 Ų58.774%0.74331%0.312SS*.Hα-helixtrans-99.4-41.2-175.3-70.7172.4-174.9-128.55.2113.6D300 C301 F302D300-R304 WeakPolarHBondContact O-CB 3.35Å; D300-R304 WeakPolarHBondContact O-CD 3.08Å; D300-R304 WeakPolarHBondContact O-CG 3.44Å; D300-R304 PolarHBondContact O-N 3.4Å; C301-R304 PolarHBondContact O-N 3.43Å; F302-R304 VanDerWaalsContact C-N 3.27Å; F302-R304 PolarHBondContact O-N 3.12Å
305V92.2Very high94.5Very high79 Ų7958 Ų5848%0.47931%0.31SS..Hα-helixtrans-98.4-17.1-175.9-590000113.2C301 E309C301-V305 WeakPolarHBondContact O-CG2 3.46Å; C301-V305 PolarHBondContact O-N 3.39Å; C301-V305 VanDerWaalsContact SG-CG2 3.52Å; V305-E309 HydrophobicContact CB-CB 4.07Å; V305-E309 HydrophobicContact CG2-CB 3.4Å
306G87Confident94.5Very high22 Ų2264.3 Ų64.323%0.22734%0.34CS..  trans95.8-177-18000000113.8F302 A308 G310F302-G306 WeakPolarHBondContact O-CA 3.45Å; F302-G306 PolarHBondContact O-N 3.11Å; F302-G306 VanDerWaalsContact O-N 3.17Å; G306-A308 PolarHBondContact O-N 3.35Å; G306-G310 VanDerWaalsContact O-CA 3.26Å; G306-G310 WeakPolarHBondContact O-CA 3.4Å; G306-G310 PolarHBondContact O-N 3.26Å
307P85.6Confident94.5Very high82 Ų8260.9 Ų60.953%0.53232%0.322SS..Hα-helixtrans-62.5-45.3-165.7-26.635.6000115.1F302 G310 E311F302-P307 HydrophobicContact CE2-CB 4.48Å; F302-P307 HydrophobicContact CZ-CB 4.4Å; P307-G310 PolarHBondContact O-N 3.47Å; P307-E311 VanDerWaalsContact O-CB 3.27Å; P307-E311 WeakPolarHBondContact O-CB 3.17Å; P307-E311 WeakPolarHBondContact O-CG 3.49Å; P307-E311 PolarHBondContact O-N 3.26Å
308A83.5Confident94.6Very high61 Ų6158.1 Ų58.150%0.50430%0.299SS..Hα-helixtrans-66.2-50.6-17100000113G306G306-A308 PolarHBondContact O-N 3.35Å
309E91.1Very high94.6Very high98 Ų9860.2 Ų60.246%0.45831%0.312SS..Hα-helixtrans-74.6-33.2174.9-6974.8-16400111.6V305 R312 A313V305-E309 HydrophobicContact CB-CB 4.07Å; V305-E309 HydrophobicContact CG2-CB 3.4Å; E309-R312 WeakPolarHBondContact O-CB 3.28Å; E309-R312 PolarHBondContact O-N 3.22Å; E309-A313 PolarHBondContact O-N 3.23Å
310G94.1Very high94.7Very high0 Ų059.7 Ų59.70%031%0.31CS..Hα-helixtrans-62.9-46.5177.500000113.9F302 G306 P307 R312 A313 I314F302-G310 VanDerWaalsContact CD2-C 3.47Å; G306-G310 VanDerWaalsContact O-CA 3.26Å; G306-G310 WeakPolarHBondContact O-CA 3.4Å; G306-G310 PolarHBondContact O-N 3.26Å; P307-G310 PolarHBondContact O-N 3.47Å; G310-R312 PolarHBondContact O-N 2.91Å; G310-A313 WeakPolarHBondContact O-CB 3.17Å; G310-A313 PolarHBondContact O-N 3.35Å; G310-A313 VanDerWaalsContact O-N 3.08Å; G310-I314 PolarHBondContact O-N 2.92Å
311E96.2Very high94.8Very high62 Ų6256.6 Ų56.629%0.2929%0.293SS..Hα-helixtrans-59.5-36.3177.9-77.8169.4-166.500111Y259 I263 P269 F302 P307 I314 A315Y259-E311 WeakPolarHBondContact CE1-O 3.37Å; Y259-E311 VanDerWaalsContact OH-CA 3.27Å; Y259-E311 WeakPolarHBondContact OH-CA 3.42Å; Y259-E311 PolarHBondContact OH-O 3.15Å; Y259-E311 VanDerWaalsContact OH-O 3.06Å; I263-E311 HydrophobicContact CD1-CG 4.31Å; P269-E311 HydrophobicContact CB-CG 4.27Å; P269-E311 HydrophobicContact CG-CG 4.03Å; F302-E311 HydrophobicContact CE2-CG 4.07Å; P307-E311 VanDerWaalsContact O-CB 3.27Å; P307-E311 WeakPolarHBondContact O-CB 3.17Å; P307-E311 WeakPolarHBondContact O-CG 3.49Å; P307-E311 PolarHBondContact O-N 3.26Å; E311-I314 PolarHBondContact O-N 3.39Å; E311-A315 PolarHBondContact O-N 2.58Å
312R96.6Very high94.9Very high164 Ų16454.7 Ų54.762%0.61928%0.28SS*.Hα-helixtrans-68.6-38.5175.7-161.2-174.4-46.8156.313.7112.1E309 G310 I314 A315 Q316E309-R312 WeakPolarHBondContact O-CB 3.28Å; E309-R312 PolarHBondContact O-N 3.22Å; G310-R312 PolarHBondContact O-N 2.91Å; R312-I314 VanDerWaalsContact C-N 3.34Å; R312-A315 WeakPolarHBondContact O-CB 3.13Å; R312-A315 PolarHBondContact O-N 2.94Å; R312-Q316 PolarHBondContact O-N 3.29Å
313A97.8Very high95Very high11 Ų1157.7 Ų57.79%0.09130%0.304CS..Hα-helixtrans-64.2-40.6174.400000111.4A298 C301 E309 G310 Q316 A317A298-A313 HydrophobicContact CB-CB 4.27Å; A298-A313 VanDerWaalsContact CB-O 3.25Å; A298-A313 WeakPolarHBondContact CB-O 3.47Å; C301-A313 HydrophobicContact CB-CB 3.64Å; E309-A313 PolarHBondContact O-N 3.23Å; G310-A313 WeakPolarHBondContact O-CB 3.17Å; G310-A313 PolarHBondContact O-N 3.35Å; G310-A313 VanDerWaalsContact O-N 3.08Å; A313-Q316 WeakPolarHBondContact O-CB 3.42Å; A313-Q316 PolarHBondContact O-N 2.87Å; A313-A317 PolarHBondContact O-N 3.15Å
314I98Very high95.3Very high0 Ų054.3 Ų54.30%028%0.284CS..Hα-helixtrans-63.5-43.5173.4-65.1166.7000110.7Y259 P269 V272 A273 F302 G310 E311 R312 Q316 A317 I318Y259-I314 HydrophobicContact CD2-CG2 4.48Å; Y259-I314 HydrophobicContact CE1-CB 4.5Å; Y259-I314 HydrophobicContact CE1-CG2 4.25Å; Y259-I314 HydrophobicContact CE2-CG2 3.74Å; Y259-I314 WeakPolarHBondContact OH-CB 3.4Å; P269-I314 HydrophobicContact CB-CD1 3.71Å; P269-I314 WeakPolarHBondContact O-CD1 3.45Å; V272-I314 HydrophobicContact CB-CG2 4.37Å; V272-I314 HydrophobicContact CG1-CG2 3.93Å; A273-I314 HydrophobicContact CB-CD1 4.12Å; A273-I314 HydrophobicContact CB-CG1 4.24Å; F302-I314 HydrophobicContact CB-CD1 4.29Å; F302-I314 HydrophobicContact CD2-CD1 3.63Å; F302-I314 HydrophobicContact CE2-CD1 4.35Å; F302-I314 HydrophobicContact CG-CD1 4.16Å; G310-I314 PolarHBondContact O-N 2.92Å; E311-I314 PolarHBondContact O-N 3.39Å; R312-I314 VanDerWaalsContact C-N 3.34Å; I314-Q316 VanDerWaalsContact C-N 3.31Å; I314-Q316 PolarHBondContact O-N 3.41Å; I314-A317 PolarHBondContact O-N 2.98Å; I314-A317 VanDerWaalsContact O-N 3.15Å; I314-I318 HydrophobicContact CG2-CD1 3.9Å; I314-I318 HydrophobicContact CG2-CG1 4.42Å; I314-I318 WeakPolarHBondContact O-CG1 3.4Å; I314-I318 PolarHBondContact O-N 3.06Å
315A98.3Very high95.4Very high20 Ų2047.2 Ų47.217%0.16526%0.263CS..Hα-helixtrans-57.9-43.1174.700000112.1L256 Y259 E311 R312 A317 I318 V319L256-A315 HydrophobicContact CD2-CB 3.81Å; Y259-A315 HydrophobicContact CD1-CB 4.14Å; Y259-A315 HydrophobicContact CE1-CB 3.93Å; E311-A315 PolarHBondContact O-N 2.58Å; R312-A315 WeakPolarHBondContact O-CB 3.13Å; R312-A315 PolarHBondContact O-N 2.94Å; A315-A317 PolarHBondContact O-N 3.33Å; A315-I318 PolarHBondContact O-N 3.39Å; A315-V319 WeakPolarHBondContact O-CG2 3.36Å; A315-V319 PolarHBondContact O-N 3.21Å
316Q98.3Very high95.7Very high133 Ų13344.5 Ų44.562%0.62125%0.245SC*.Hα-helixtrans-59.2-45.7174.7-174.5-156-0.900111.5R312 A313 I314 V319 Y320R312-Q316 PolarHBondContact O-N 3.29Å; A313-Q316 WeakPolarHBondContact O-CB 3.42Å; A313-Q316 PolarHBondContact O-N 2.87Å; I314-Q316 VanDerWaalsContact C-N 3.31Å; I314-Q316 PolarHBondContact O-N 3.41Å; Q316-V319 PolarHBondContact O-N 3.34Å; Q316-Y320 WeakPolarHBondContact O-CB 3.34Å; Q316-Y320 PolarHBondContact O-N 2.85Å
317A98.5Very high96.2Very high1 Ų143.6 Ų43.61%0.00824%0.235CC..Hα-helixtrans-63.1-41.6177.700000112.2V294 A298 A313 I314 A315 V319 Y320 L321V294-A317 HydrophobicContact CG1-CB 4.09Å; A298-A317 HydrophobicContact CB-CB 3.6Å; A313-A317 PolarHBondContact O-N 3.15Å; I314-A317 PolarHBondContact O-N 2.98Å; I314-A317 VanDerWaalsContact O-N 3.15Å; A315-A317 PolarHBondContact O-N 3.33Å; A317-V319 VanDerWaalsContact C-N 3.34Å; A317-V319 PolarHBondContact O-N 2.79Å; A317-Y320 PolarHBondContact O-N 2.63Å; A317-L321 WeakPolarHBondContact O-CB 3.27Å; A317-L321 WeakPolarHBondContact O-CG 3.32Å; A317-L321 PolarHBondContact O-N 3.24Å
318I98.6Very high96.8Very high1 Ų143.7 Ų43.71%0.00523%0.231CC..Hα-helixtrans-58.3-47.1176-70.4166.2000111L243 V247 A255 Y259 V272 I314 A315 L321 A322L243-I318 HydrophobicContact CD1-CD1 4.2Å; L243-I318 HydrophobicContact CD1-CG2 3.99Å; L243-I318 HydrophobicContact CD2-CD1 4.47Å; V247-I318 HydrophobicContact CG2-CG2 4.01Å; A255-I318 HydrophobicContact CB-CG2 3.53Å; Y259-I318 HydrophobicContact CD1-CD1 3.82Å; Y259-I318 HydrophobicContact CD2-CD1 3.79Å; Y259-I318 HydrophobicContact CE1-CD1 4.41Å; Y259-I318 HydrophobicContact CE2-CD1 4.36Å; Y259-I318 HydrophobicContact CG-CD1 3.47Å; Y259-I318 VanDerWaalsContact CG-CD1 3.47Å; V272-I318 HydrophobicContact CG1-CD1 3.82Å; I314-I318 HydrophobicContact CG2-CD1 3.9Å; I314-I318 HydrophobicContact CG2-CG1 4.42Å; I314-I318 WeakPolarHBondContact O-CG1 3.4Å; I314-I318 PolarHBondContact O-N 3.06Å; A315-I318 PolarHBondContact O-N 3.39Å; I318-L321 PolarHBondContact O-N 2.74Å; I318-A322 WeakPolarHBondContact O-CB 3.49Å; I318-A322 PolarHBondContact O-N 3.24Å
319V98.6Very high97.5Very high49 Ų4941 Ų4130%0.29721%0.209SC..Hα-helixtrans-63.5-44.8178174.20000110.8P252 L256 A315 Q316 A317 L321 A322 C323P252-V319 HydrophobicContact CB-CG1 4.33Å; L256-V319 HydrophobicContact CD1-CG2 3.6Å; L256-V319 HydrophobicContact CD2-CG2 3.75Å; L256-V319 HydrophobicContact CG-CG2 3.64Å; A315-V319 WeakPolarHBondContact O-CG2 3.36Å; A315-V319 PolarHBondContact O-N 3.21Å; Q316-V319 PolarHBondContact O-N 3.34Å; A317-V319 VanDerWaalsContact C-N 3.34Å; A317-V319 PolarHBondContact O-N 2.79Å; V319-L321 PolarHBondContact O-N 3.38Å; V319-A322 PolarHBondContact O-N 3.38Å; V319-C323 PolarHBondContact O-N 3.44Å; V319-C323 PolarHBondContact O-SG 3.19Å; V319-C323 VanDerWaalsContact O-SG 3.34Å
320Y98.7Very high97.7Very high64 Ų6438.9 Ų38.925%0.25120%0.202SC..Hα-helixtrans-56.6-50.5176.2-175.9-83.3000111.3D288 R290 A291 V294 Q316 A317 A322 C323 A324D288-Y320 PolarHBondContact OD2-OH 3.29Å; R290-Y320 PolarHBondContact NH2-OH 3.03Å; A291-Y320 HydrophobicContact CB-CE1 4.17Å; V294-Y320 HydrophobicContact CB-CD1 4.16Å; V294-Y320 HydrophobicContact CB-CE1 4.48Å; V294-Y320 HydrophobicContact CB-CG 4.36Å; V294-Y320 HydrophobicContact CG1-CD1 4.15Å; V294-Y320 HydrophobicContact CG1-CD2 4.39Å; V294-Y320 HydrophobicContact CG1-CG 3.91Å; V294-Y320 HydrophobicContact CG2-CD1 4.09Å; V294-Y320 HydrophobicContact CG2-CD2 4.17Å; V294-Y320 HydrophobicContact CG2-CE1 4.03Å; V294-Y320 HydrophobicContact CG2-CE2 4.06Å; V294-Y320 HydrophobicContact CG2-CG 4.19Å; Q316-Y320 WeakPolarHBondContact O-CB 3.34Å; Q316-Y320 PolarHBondContact O-N 2.85Å; A317-Y320 PolarHBondContact O-N 2.63Å; Y320-A322 VanDerWaalsContact C-N 3.29Å; Y320-A322 PolarHBondContact O-N 2.87Å; Y320-C323 PolarHBondContact O-N 2.55Å; Y320-A324 HydrophobicContact CE1-CB 4.43Å; Y320-A324 WeakPolarHBondContact O-CB 3.48Å; Y320-A324 PolarHBondContact O-N 3.42Å
321L98.7Very high97.8Very high0 Ų042.6 Ų42.60%022%0.217CC..Hα-helixtrans-62-38179.9-68.9171.1000111.7V247 C276 I279 A280 V284 A291 A317 I318 V319 K326V247-L321 HydrophobicContact CG1-CB 3.64Å; C276-L321 HydrophobicContact CB-CD1 3.63Å; C276-L321 WeakPolarHBondContact O-CD1 3.39Å; I279-L321 HydrophobicContact CB-CD1 4.44Å; I279-L321 HydrophobicContact CG2-CB 4.29Å; I279-L321 HydrophobicContact CG2-CD1 4.2Å; A280-L321 HydrophobicContact CB-CD2 3.85Å; V284-L321 HydrophobicContact CG2-CD2 3.96Å; A291-L321 HydrophobicContact CB-CD2 3.56Å; A317-L321 WeakPolarHBondContact O-CB 3.27Å; A317-L321 WeakPolarHBondContact O-CG 3.32Å; A317-L321 PolarHBondContact O-N 3.24Å; I318-L321 PolarHBondContact O-N 2.74Å; V319-L321 PolarHBondContact O-N 3.38Å; L321-K326 PolarHBondContact O-NZ 2.92Å
322A98.5Very high97.9Very high0 Ų042.8 Ų42.80%022%0.222CC..Hα-helixtrans-66.4-39.4176.800000111.5V247 S250 P252 I318 V319 Y320 K326V247-A322 HydrophobicContact CG1-CB 4.35Å; S250-A322 VanDerWaalsContact CA-O 3.28Å; S250-A322 WeakPolarHBondContact CA-O 3.5Å; S250-A322 WeakPolarHBondContact CB-O 3.25Å; S250-A322 PolarHBondContact OG-O 3.18Å; P252-A322 HydrophobicContact CB-CB 3.96Å; I318-A322 WeakPolarHBondContact O-CB 3.49Å; I318-A322 PolarHBondContact O-N 3.24Å; V319-A322 PolarHBondContact O-N 3.38Å; Y320-A322 VanDerWaalsContact C-N 3.29Å; Y320-A322 PolarHBondContact O-N 2.87Å; A322-K326 PolarHBondContact O-NZ 3.28Å
323C98.3Very high97.9Very high89 Ų8935.4 Ų35.460%0.60120%0.197SC*.Hα-helixtrans-81.5-19.8179.6-64.50000114.2V319 Y320V319-C323 PolarHBondContact O-N 3.44Å; V319-C323 PolarHBondContact O-SG 3.19Å; V319-C323 VanDerWaalsContact O-SG 3.34Å; Y320-C323 PolarHBondContact O-N 2.55Å
324A98.1Very high97.9Very high8 Ų841 Ų417%0.06622%0.219CC..SBendtrans-62.9148.4-178.500000112.4V284 D288 Y320 K326V284-A324 HydrophobicContact CG1-CB 3.84Å; V284-A324 HydrophobicContact CG2-CB 4.01Å; D288-A324 HydrophobicContact CB-CB 4.46Å; Y320-A324 HydrophobicContact CE1-CB 4.43Å; Y320-A324 WeakPolarHBondContact O-CB 3.48Å; Y320-A324 PolarHBondContact O-N 3.42Å; A324-K326 PolarHBondContact O-NZ 2.93Å
325P97.9Very high97.9Very high47 Ų4746.4 Ų46.431%0.30524%0.242SC..PPolyproline II helixtrans-59.3141.3171.828.1-36.1000110.3A287 D288 R402A287-P325 HydrophobicContact CB-CB 3.97Å; A287-P325 HydrophobicContact CB-CG 3.98Å; A287-P325 WeakPolarHBondContact CB-O 3.33Å; A287-P325 WeakPolarHBondContact O-CG 3.44Å; D288-P325 HydrophobicContact CB-CG 4.02Å; P325-R402 HydrophobicContact CB-CB 4.25Å
326K97.8Very high97.9Very high23 Ų2347.3 Ų47.310%0.125%0.25CS..PPolyproline II helixtrans-99.8131.3-171.7-59.3-66.3-176.4-88.40112.2V247 R248 S250 D283 L321 A322 A324 R402V247-K326 WeakPolarHBondContact O-CE 3.16Å; R248-K326 WeakPolarHBondContact O-CE 3.27Å; S250-K326 WeakPolarHBondContact OG-CE 3.42Å; S250-K326 PolarHBondContact OG-NZ 2.9Å; D283-K326 CarbonylContact O-C 3.55Å; D283-K326 VanDerWaalsContact O-CA 3.25Å; D283-K326 WeakPolarHBondContact O-CA 3.39Å; D283-K326 WeakPolarHBondContact O-CB 3.46Å; D283-K326 WeakPolarHBondContact O-CD 3.3Å; L321-K326 PolarHBondContact O-NZ 2.92Å; A322-K326 PolarHBondContact O-NZ 3.28Å; A324-K326 PolarHBondContact O-NZ 2.93Å; K326-R402 WeakPolarHBondContact O-CD 3.27Å; K326-R402 PolarHBondContact O-NH1 2.87Å
327S97.7Very high97.8Very high3 Ų342.5 Ų42.52%0.02123%0.233CC..  trans-148.9126.9167.9178.20000111.3D283 V284 A329 E405D283-S327 CarbonylContact C-O 3.44Å; D283-S327 PolarHBondContact O-N 3.13Å; V284-S327 CarbonylContact C-O 3.56Å; V284-S327 PolarHBondContact O-N 3.45Å; S327-A329 WeakPolarHBondContact OG-CB 3.09Å; S327-A329 PolarHBondContact OG-N 3.35Å; S327-A329 VanDerWaalsContact OG-N 3.12Å; S327-E405 WeakPolarHBondContact CB-OE2 3.29Å; S327-E405 VanDerWaalsContact OG-CD 3.23Å; S327-E405 PolarHBondContact OG-OE1 3.13Å; S327-E405 PolarHBondContact OG-OE2 3.29Å
328N97.2Very high97.7Very high84 Ų8445.6 Ų45.645%0.44925%0.249SC..  trans-102.314.7168.670.6-15.5000112.6E282 V330 Y331 T332E282-N328 WeakPolarHBondContact O-CA 3.34Å; E282-N328 WeakPolarHBondContact O-CB 3.27Å; N328-V330 VanDerWaalsContact C-N 3.31Å; N328-V330 PolarHBondContact O-N 3.05Å; N328-Y331 WeakPolarHBondContact O-CB 3.42Å; N328-Y331 PolarHBondContact O-N 3.3Å; N328-Y331 VanDerWaalsContact O-N 3.07Å; N328-T332 PolarHBondContact O-N 3.47Å; N328-T332 PolarHBondContact O-OG1 3.3Å
329A97.8Very high97.5Very high4 Ų447.1 Ų47.13%0.03326%0.262CS..Hα-helixtrans-60.9-37.8-173.800000112.8S327 T332 A333 Y397 F398 T400S327-A329 WeakPolarHBondContact OG-CB 3.09Å; S327-A329 PolarHBondContact OG-N 3.35Å; S327-A329 VanDerWaalsContact OG-N 3.12Å; A329-T332 PolarHBondContact O-OG1 2.72Å; A329-T332 VanDerWaalsContact O-OG1 3.1Å; A329-A333 WeakPolarHBondContact O-CB 3.43Å; A329-A333 PolarHBondContact O-N 2.77Å; A329-Y397 HydrophobicContact CB-CD2 4.11Å; A329-Y397 HydrophobicContact CB-CE2 3.63Å; A329-F398 VanDerWaalsContact CB-O 3.27Å; A329-F398 WeakPolarHBondContact CB-O 3.31Å; A329-T400 HydrophobicContact CB-CG2 4.49Å
330V96.8Very high97.4Very high54 Ų5446.1 Ų46.133%0.32726%0.255SS..Hα-helixtrans-66.8-43174.6177.10000110.8N286 N328 A333 F334 Y397N286-V330 HydrophobicContact CB-CG2 4.48Å; N286-V330 WeakPolarHBondContact ND2-CG2 3.13Å; N328-V330 VanDerWaalsContact C-N 3.31Å; N328-V330 PolarHBondContact O-N 3.05Å; V330-A333 PolarHBondContact O-N 3.34Å; V330-F334 VanDerWaalsContact O-CB 3.31Å; V330-F334 WeakPolarHBondContact O-CB 3.46Å; V330-F334 PolarHBondContact O-N 2.96Å; V330-Y397 HydrophobicContact CG2-CD2 4.46Å; V330-Y397 HydrophobicContact CG2-CE2 3.77Å
331Y96.2Very high97Very high78 Ų7846.5 Ų46.531%0.30627%0.271SS..Hα-helixtrans-62.9-45.6-179.7177.5-99.1000112.3E282 N328 K335E282-Y331 HydrophobicContact CB-CD2 4.16Å; E282-Y331 HydrophobicContact CG-CD1 4.26Å; E282-Y331 HydrophobicContact CG-CD2 3.6Å; E282-Y331 HydrophobicContact CG-CE1 4.44Å; E282-Y331 HydrophobicContact CG-CE2 3.79Å; E282-Y331 HydrophobicContact CG-CG 3.81Å; E282-Y331 WeakPolarHBondContact OE2-CE2 3.34Å; N328-Y331 WeakPolarHBondContact O-CB 3.42Å; N328-Y331 PolarHBondContact O-N 3.3Å; N328-Y331 VanDerWaalsContact O-N 3.07Å; Y331-K335 HydrophobicContact CD1-CD 4.3Å; Y331-K335 HydrophobicContact CE1-CD 3.83Å; Y331-K335 VanDerWaalsContact CE1-CE 3.4Å; Y331-K335 VanDerWaalsContact CE1-NZ 3.26Å; Y331-K335 WeakPolarHBondContact O-CG 3.19Å; Y331-K335 PolarHBondContact O-N 3.14Å; Y331-K335 VanDerWaalsContact O-N 3.1Å; Y331-K335 WeakPolarHBondContact OH-CE 3.41Å; Y331-K335 PolarHBondContact OH-NZ 3.35Å
332T97.4Very high96.7Very high66 Ų6655.9 Ų55.941%0.40531%0.307SS..Hα-helixtrans-67.9-42.7177.253.10000111.5N328 A329 F334 K335 A336N328-T332 PolarHBondContact O-N 3.47Å; N328-T332 PolarHBondContact O-OG1 3.3Å; A329-T332 PolarHBondContact O-OG1 2.72Å; A329-T332 VanDerWaalsContact O-OG1 3.1Å; T332-F334 PolarHBondContact O-N 2.93Å; T332-K335 PolarHBondContact O-N 2.98Å; T332-A336 PolarHBondContact O-N 2.94Å
333A97.9Very high96.4Very high9 Ų963.3 Ų63.37%0.07434%0.341CS..Hα-helixtrans-59.5-47176.100000112.3A329 V330 A336 A337 Y396 Y397A329-A333 WeakPolarHBondContact O-CB 3.43Å; A329-A333 PolarHBondContact O-N 2.77Å; V330-A333 PolarHBondContact O-N 3.34Å; A333-A336 PolarHBondContact O-N 3.2Å; A333-A337 PolarHBondContact O-N 2.74Å; A333-Y396 WeakPolarHBondContact CA-O 3.38Å; A333-Y396 WeakPolarHBondContact CB-O 3.2Å; A333-Y397 HydrophobicContact CB-CD2 4.19Å
334F97.8Very high96Very high129 Ų12963.5 Ų63.557%0.56633%0.329SS*.Hα-helixtrans-65.6-40-179.9-176.9-120.4000112V330 T332 A337 L338V330-F334 VanDerWaalsContact O-CB 3.31Å; V330-F334 WeakPolarHBondContact O-CB 3.46Å; V330-F334 PolarHBondContact O-N 2.96Å; T332-F334 PolarHBondContact O-N 2.93Å; F334-A337 PolarHBondContact O-N 2.92Å; F334-L338 HydrophobicContact CD1-CD1 3.9Å; F334-L338 HydrophobicContact CD2-CG 4.44Å; F334-L338 HydrophobicContact CE1-CD1 3.45Å; F334-L338 VanDerWaalsContact CE1-CD1 3.45Å; F334-L338 HydrophobicContact CE1-CG 4.15Å; F334-L338 HydrophobicContact CE2-CD1 4.26Å; F334-L338 HydrophobicContact CE2-CD2 4.34Å; F334-L338 HydrophobicContact CE2-CG 4.06Å; F334-L338 HydrophobicContact CG-CD1 4.5Å; F334-L338 HydrophobicContact CZ-CD1 3.65Å; F334-L338 HydrophobicContact CZ-CD2 4.14Å; F334-L338 HydrophobicContact CZ-CG 3.92Å; F334-L338 WeakPolarHBondContact O-CB 3.39Å; F334-L338 WeakPolarHBondContact O-CG 3.4Å; F334-L338 PolarHBondContact O-N 3.33Å
335K96.9Very high95.5Very high112 Ų11267.1 Ų67.149%0.48735%0.352SS..Hα-helixtrans-60.7-43.5173.3-82-173172.6-1770112.7Y331 T332 L338 A339Y331-K335 HydrophobicContact CD1-CD 4.3Å; Y331-K335 HydrophobicContact CE1-CD 3.83Å; Y331-K335 VanDerWaalsContact CE1-CE 3.4Å; Y331-K335 VanDerWaalsContact CE1-NZ 3.26Å; Y331-K335 WeakPolarHBondContact O-CG 3.19Å; Y331-K335 PolarHBondContact O-N 3.14Å; Y331-K335 VanDerWaalsContact O-N 3.1Å; Y331-K335 WeakPolarHBondContact OH-CE 3.41Å; Y331-K335 PolarHBondContact OH-NZ 3.35Å; T332-K335 PolarHBondContact O-N 2.98Å; K335-L338 PolarHBondContact O-N 2.78Å; K335-A339 PolarHBondContact O-N 3.47Å
336A97.5Very high95.1Very high40 Ų4072.2 Ų72.233%0.33138%0.377SS..Hα-helixtrans-64.2-43.9177.400000111.6T332 A333 L338 A339 D340 Y396T332-A336 PolarHBondContact O-N 2.94Å; A333-A336 PolarHBondContact O-N 3.2Å; A336-L338 PolarHBondContact O-N 2.84Å; A336-A339 PolarHBondContact O-N 2.95Å; A336-D340 PolarHBondContact O-N 3.34Å; A336-Y396 HydrophobicContact CB-CD1 3.78Å; A336-Y396 HydrophobicContact CB-CE1 4.31Å
337A97Very high94.7Very high32 Ų3275.1 Ų75.126%0.26439%0.388SS..Hα-helixtrans-63.1-39.9176.100000112.6A333 F334 D340 A341 Y396A333-A337 PolarHBondContact O-N 2.74Å; F334-A337 PolarHBondContact O-N 2.92Å; A337-D340 PolarHBondContact O-N 2.82Å; A337-A341 WeakPolarHBondContact O-CB 3.45Å; A337-A341 PolarHBondContact O-N 3.1Å; A337-Y396 HydrophobicContact CB-CD1 4.4Å; A337-Y396 HydrophobicContact CB-CD2 3.94Å; A337-Y396 HydrophobicContact CB-CE1 4.41Å; A337-Y396 HydrophobicContact CB-CE2 3.95Å; A337-Y396 HydrophobicContact CB-CG 4.16Å
338L95.6Very high94.3Very high66 Ų6680.7 Ų80.735%0.34642%0.417SS..Hα-helixtrans-66-35.4174.4-79177.2000113F334 K335 A336 R342F334-L338 HydrophobicContact CD1-CD1 3.9Å; F334-L338 HydrophobicContact CD2-CG 4.44Å; F334-L338 HydrophobicContact CE1-CD1 3.45Å; F334-L338 VanDerWaalsContact CE1-CD1 3.45Å; F334-L338 HydrophobicContact CE1-CG 4.15Å; F334-L338 HydrophobicContact CE2-CD1 4.26Å; F334-L338 HydrophobicContact CE2-CD2 4.34Å; F334-L338 HydrophobicContact CE2-CG 4.06Å; F334-L338 HydrophobicContact CG-CD1 4.5Å; F334-L338 HydrophobicContact CZ-CD1 3.65Å; F334-L338 HydrophobicContact CZ-CD2 4.14Å; F334-L338 HydrophobicContact CZ-CG 3.92Å; F334-L338 WeakPolarHBondContact O-CB 3.39Å; F334-L338 WeakPolarHBondContact O-CG 3.4Å; F334-L338 PolarHBondContact O-N 3.33Å; K335-L338 PolarHBondContact O-N 2.78Å; A336-L338 PolarHBondContact O-N 2.84Å; L338-R342 VanDerWaalsContact O-CG 3.28Å; L338-R342 WeakPolarHBondContact O-CG 3.28Å; L338-R342 PolarHBondContact O-N 3.3Å
339A95.7Very high94Very high32 Ų3280.7 Ų80.726%0.26442%0.42SS..Hα-helixtrans-66.3-49.9174.400000110.6K335 A336 A341 R342 E343K335-A339 PolarHBondContact O-N 3.47Å; A336-A339 PolarHBondContact O-N 2.95Å; A339-A341 VanDerWaalsContact C-N 3.31Å; A339-A341 PolarHBondContact O-N 3.41Å; A339-R342 PolarHBondContact O-N 3.44Å; A339-E343 WeakPolarHBondContact O-CB 3.36Å; A339-E343 WeakPolarHBondContact O-CG 3.23Å; A339-E343 PolarHBondContact O-N 3.03Å
340D95.2Very high93.6Very high28 Ų2881.3 Ų81.315%0.1542%0.424CS..Hα-helixtrans-60.9-39.8178.4-83.3-17.4000112.1A336 A337 R342 E343 R344 Y396A336-D340 PolarHBondContact O-N 3.34Å; A337-D340 PolarHBondContact O-N 2.82Å; D340-R342 PolarHBondContact O-N 3.08Å; D340-E343 PolarHBondContact O-N 3.29Å; D340-R344 HydrophobicContact CB-CG 4.27Å; D340-R344 VanDerWaalsContact O-CB 3.25Å; D340-R344 WeakPolarHBondContact O-CB 3.24Å; D340-R344 WeakPolarHBondContact O-CG 3.34Å; D340-R344 PolarHBondContact O-N 3.17Å; D340-R344 IonicContact OD1-CZ 3.98Å; D340-R344 VanDerWaalsContact OD1-CZ 3.24Å; D340-R344 IonicContact OD1-NE 2.91Å; D340-R344 PolarHBondContact OD1-NE 3.04Å; D340-R344 IonicContact OD1-NH2 3.41Å; D340-R344 PolarHBondContact OD1-NH2 3.5Å; D340-R344 IonicContact OD2-CZ 2.97Å; D340-R344 IonicContact OD2-NE 3.68Å; D340-R344 PolarHBondContact OD2-NE 3.04Å; D340-R344 IonicContact OD2-NH1 3.42Å; D340-R344 IonicContact OD2-NH2 2.92Å; D340-R344 PolarHBondContact OD2-NH2 3.32Å; D340-Y396 HydrophobicContact CB-CE1 4.42Å; D340-Y396 WeakPolarHBondContact CB-OH 3.47Å; D340-Y396 WeakPolarHBondContact OD2-CE1 3.34Å; D340-Y396 PolarHBondContact OD2-OH 3.43Å
341A92Very high93.2Very high72 Ų7282 Ų8260%0.59543%0.428SS*.Hα-helixtrans-66.3-16.1175.200000114.4A337 A339A337-A341 WeakPolarHBondContact O-CB 3.45Å; A337-A341 PolarHBondContact O-N 3.1Å; A339-A341 VanDerWaalsContact C-N 3.31Å; A339-A341 PolarHBondContact O-N 3.41Å
342R92.4Very high93Very high198 Ų19878.8 Ų78.875%0.74742%0.416SS*.Hα-helixtrans-98-31.2175.8-72.3172.9-172.8168.63.3113L338 A339 D340L338-R342 VanDerWaalsContact O-CG 3.28Å; L338-R342 WeakPolarHBondContact O-CG 3.28Å; L338-R342 PolarHBondContact O-N 3.3Å; A339-R342 PolarHBondContact O-N 3.44Å; D340-R342 PolarHBondContact O-N 3.08Å
343E91.9Very high92.8Very high156 Ų15677.9 Ų77.973%0.72941%0.408SS*.Hα-helixtrans-106.3-25-166.5-66176-169.700113.2A339 D340A339-E343 WeakPolarHBondContact O-CB 3.36Å; A339-E343 WeakPolarHBondContact O-CG 3.23Å; A339-E343 PolarHBondContact O-N 3.03Å; D340-E343 PolarHBondContact O-N 3.29Å
344R89.7Confident92.3Very high92 Ų9280.1 Ų80.135%0.34742%0.415SS..SBendtrans-89.6161.4178.6-62.1-169.1-176.2-172.28.8111.4D340 Y347 I391D340-R344 HydrophobicContact CB-CG 4.27Å; D340-R344 VanDerWaalsContact O-CB 3.25Å; D340-R344 WeakPolarHBondContact O-CB 3.24Å; D340-R344 WeakPolarHBondContact O-CG 3.34Å; D340-R344 PolarHBondContact O-N 3.17Å; D340-R344 IonicContact OD1-CZ 3.98Å; D340-R344 VanDerWaalsContact OD1-CZ 3.24Å; D340-R344 IonicContact OD1-NE 2.91Å; D340-R344 PolarHBondContact OD1-NE 3.04Å; D340-R344 IonicContact OD1-NH2 3.41Å; D340-R344 PolarHBondContact OD1-NH2 3.5Å; D340-R344 IonicContact OD2-CZ 2.97Å; D340-R344 IonicContact OD2-NE 3.68Å; D340-R344 PolarHBondContact OD2-NE 3.04Å; D340-R344 IonicContact OD2-NH1 3.42Å; D340-R344 IonicContact OD2-NH2 2.92Å; D340-R344 PolarHBondContact OD2-NH2 3.32Å; R344-Y347 HydrophobicContact CB-CE2 4.15Å; R344-I391 VanDerWaalsContact NH1-CG2 3.26Å
345P87.9Confident91.5Very high84 Ų8480.7 Ų80.755%0.54542%0.424SS..  trans-52.3145.7168-25.434.7000111.7Y347P345-Y347 HydrophobicContact CB-CD1 4.39Å; P345-Y347 HydrophobicContact CB-CE1 4Å; P345-Y347 HydrophobicContact CB-CE2 4.46Å; P345-Y347 HydrophobicContact CG-CE1 4.26Å; P345-Y347 VanDerWaalsContact O-CD2 3.3Å; P345-Y347 WeakPolarHBondContact O-CD2 3.38Å; P345-Y347 PolarHBondContact O-N 3.47Å
346D88.9Confident90.6Very high155 Ų15576.5 Ų76.583%0.82941%0.41SS*.  trans-68.974.3173.6-72.3-30.2000110.1D348D346-D348 PolarHBondContact O-N 2.88Å
347Y89.9Confident89.5Confident84 Ų8479.5 Ų79.533%0.32943%0.426SS..PPolyproline II helixtrans-61.8132.6178.7-61.5-64.7000110.5R344 P345 P388 E390 I391R344-Y347 HydrophobicContact CB-CE2 4.15Å; P345-Y347 HydrophobicContact CB-CD1 4.39Å; P345-Y347 HydrophobicContact CB-CE1 4Å; P345-Y347 HydrophobicContact CB-CE2 4.46Å; P345-Y347 HydrophobicContact CG-CE1 4.26Å; P345-Y347 VanDerWaalsContact O-CD2 3.3Å; P345-Y347 WeakPolarHBondContact O-CD2 3.38Å; P345-Y347 PolarHBondContact O-N 3.47Å; Y347-P388 HydrophobicContact CG-CB 4.46Å; Y347-E390 HydrophobicContact CD1-CB 4.06Å; Y347-E390 HydrophobicContact CD1-CG 3.91Å; Y347-E390 HydrophobicContact CE1-CB 3.6Å; Y347-E390 HydrophobicContact CE1-CG 3.53Å; Y347-E390 HydrophobicContact CE2-CB 4.31Å; Y347-I391 HydrophobicContact CD2-CD1 4.4Å; Y347-I391 HydrophobicContact CD2-CG2 4.04Å; Y347-I391 HydrophobicContact CE2-CG2 3.63Å
348D88.3Confident88Confident119 Ų11981.2 Ų81.264%0.63643%0.433SS*.PPolyproline II helixtrans-64.6145.6-178.6-109.25.3000112D346 R354D346-D348 PolarHBondContact O-N 2.88Å; D348-R354 IonicContact OD1-NH2 2.99Å; D348-R354 IonicContact OD2-CZ 3.59Å; D348-R354 IonicContact OD2-NH2 3.76Å; D348-R354 PolarHBondContact OD2-NH2 3.17Å
349V91Very high86.7Confident85 Ų8585.8 Ų85.852%0.51545%0.45SS..PPolyproline II helixtrans-60.4128.8171.5178.70000109.2L353 R354V349-L353 HydrophobicContact CG1-CB 4.02Å; V349-R354 HydrophobicContact CB-CG 4.38Å; V349-R354 HydrophobicContact CG1-CG 4.14Å; V349-R354 VanDerWaalsContact O-CZ 3.31Å; V349-R354 PolarHBondContact O-NE 3.47Å; V349-R354 PolarHBondContact O-NH2 3.19Å
350P90.7Very high85.3Confident16 Ų1689.1 Ų89.110%0.10446%0.463CS..PPolyproline II helixtrans-54.8140.7177.2-28.335.4000113H352 L353 R354 P388P350-H352 VanDerWaalsContact C-N 3.26Å; P350-H352 WeakPolarHBondContact CB-CE1 3.26Å; P350-H352 WeakPolarHBondContact CB-ND1 3.36Å; P350-H352 PolarHBondContact O-N 3.35Å; P350-L353 HydrophobicContact CB-CG 4.47Å; P350-L353 HydrophobicContact CG-CD1 4.42Å; P350-L353 PolarHBondContact O-N 2.86Å; P350-R354 PolarHBondContact O-N 2.91Å; P350-P388 HydrophobicContact CG-CG 4.5Å
351V88Confident83.7Confident69 Ų6990.9 Ų90.942%0.41847%0.471SS..G310 helixtrans-58.5-35.4-172.2175.60000113L353 R354 Y366 G367V351-L353 PolarHBondContact O-N 3.48Å; V351-R354 PolarHBondContact O-N 3.06Å; V351-Y366 HydrophobicContact CG1-CD1 3.68Å; V351-Y366 HydrophobicContact CG1-CE1 4.2Å; V351-G367 PolarHBondContact O-N 2.86Å
352H90.9Very high82.7Confident10 Ų1093.4 Ų93.45%0.04647%0.469CS..G310 helixtrans-69.2-16.7177.666.4-72.5000113.7P350 E369 Y370 E384 V385P350-H352 VanDerWaalsContact C-N 3.26Å; P350-H352 WeakPolarHBondContact CB-CE1 3.26Å; P350-H352 WeakPolarHBondContact CB-ND1 3.36Å; P350-H352 PolarHBondContact O-N 3.35Å; H352-E369 HydrophobicContact CB-CB 4Å; H352-Y370 VanDerWaalsContact O-CB 3.31Å; H352-Y370 WeakPolarHBondContact O-CB 3.49Å; H352-E384 IonicContact CD2-OE1 3.48Å; H352-E384 IonicContact NE2-OE1 2.79Å; H352-E384 PolarHBondContact NE2-OE1 2.99Å; H352-V385 PolarHBondContact CE1-O 3.41Å; H352-V385 PolarHBondContact NE2-O 2.86Å
353L92.9Very high82Confident48 Ų4889.9 Ų89.925%0.25146%0.461SS..G310 helixtrans-98.2-10175-59-175.7000113.3V349 P350 V351 Y370 Y386V349-L353 HydrophobicContact CG1-CB 4.02Å; P350-L353 HydrophobicContact CB-CG 4.47Å; P350-L353 HydrophobicContact CG-CD1 4.42Å; P350-L353 PolarHBondContact O-N 2.86Å; V351-L353 PolarHBondContact O-N 3.48Å; L353-Y370 HydrophobicContact CD2-CD2 4.18Å; L353-Y370 HydrophobicContact CD2-CE2 4.24Å; L353-Y386 HydrophobicContact CD1-CD1 3.99Å; L353-Y386 VanDerWaalsContact CD1-O 3.24Å; L353-Y386 WeakPolarHBondContact CD1-O 3.35Å; L353-Y386 HydrophobicContact CD2-CD1 3.57Å; L353-Y386 HydrophobicContact CD2-CE1 3.89Å; L353-Y386 HydrophobicContact CG-CD1 4.42Å
354R88.5Confident80.9Confident56 Ų5687.4 Ų87.421%0.21145%0.451CS..SBendtrans-72.1135.3179.8-65.8-178.1-172.9-165.2-5.2110.1D348 V349 P350 V351 Y366 G367D348-R354 IonicContact OD1-NH2 2.99Å; D348-R354 IonicContact OD2-CZ 3.59Å; D348-R354 IonicContact OD2-NH2 3.76Å; D348-R354 PolarHBondContact OD2-NH2 3.17Å; V349-R354 HydrophobicContact CB-CG 4.38Å; V349-R354 HydrophobicContact CG1-CG 4.14Å; V349-R354 VanDerWaalsContact O-CZ 3.31Å; V349-R354 PolarHBondContact O-NE 3.47Å; V349-R354 PolarHBondContact O-NH2 3.19Å; P350-R354 PolarHBondContact O-N 2.91Å; V351-R354 PolarHBondContact O-N 3.06Å; R354-Y366 HydrophobicContact CB-CD2 4.01Å; R354-Y366 HydrophobicContact CB-CG 4.07Å; R354-Y366 PolarHBondContact NH1-OH 3.3Å; R354-Y366 VanDerWaalsContact NH1-OH 3.14Å; R354-G367 PolarHBondContact O-N 3.27Å
355N81.1Confident80.3Confident141 Ų14184 Ų8475%0.75444%0.443SS*.  trans-68.9143.8170.2-72.5-32.9000110.8P357N355-P357 VanDerWaalsContact O-CD 3.28Å; N355-P357 WeakPolarHBondContact O-CD 3.28Å
356A78.2Confident79.8Confident23 Ų2382.6 Ų82.619%0.1943%0.428CS..  trans-11964.4175.500000112.4T358 M361 K362 Y366A356-T358 VanDerWaalsContact C-N 3.27Å; A356-T358 PolarHBondContact O-N 3.31Å; A356-M361 HydrophobicContact CB-CB 4Å; A356-K362 HydrophobicContact CB-CG 3.69Å; A356-K362 WeakPolarHBondContact O-CE 3.19Å; A356-Y366 VanDerWaalsContact CB-O 3.29Å; A356-Y366 WeakPolarHBondContact CB-O 3.4Å
357P74.7Confident79.3Confident104 Ų10476.4 Ų76.468%0.67540%0.401SS*.  trans-68.2-26-17827.9-35.9000113N355 M361N355-P357 VanDerWaalsContact O-CD 3.28Å; N355-P357 WeakPolarHBondContact O-CD 3.28Å; P357-M361 HydrophobicContact CG-SD 3.89Å
358T64.9Low78.9Confident67 Ų6779 Ų7941%0.41142%0.416SS..SBendtrans-103.1156.4-178.367.50000111.8A356 L360 M361 K362A356-T358 VanDerWaalsContact C-N 3.27Å; A356-T358 PolarHBondContact O-N 3.31Å; T358-L360 VanDerWaalsContact C-N 3.29Å; T358-L360 PolarHBondContact O-N 3.44Å; T358-M361 HydrophobicContact CG2-SD 4.35Å; T358-M361 PolarHBondContact O-N 2.96Å; T358-M361 VanDerWaalsContact OG1-CG 3.24Å; T358-M361 WeakPolarHBondContact OG1-CG 3.45Å; T358-M361 PolarHBondContact OG1-N 3.05Å; T358-M361 PolarHBondContact OG1-SD 3.05Å; T358-M361 VanDerWaalsContact OG1-SD 3.37Å; T358-K362 PolarHBondContact O-N 3.03Å; T358-K362 VanDerWaalsContact O-N 3.14Å
359K68.9Low78.9Confident162 Ų16279.6 Ų79.670%0.70442%0.415SS*.Hα-helixtrans-58.4-41.9176.1-164.5-172.3179.2-161.20111.8M361 K362 E363K359-M361 PolarHBondContact O-N 2.96Å; K359-K362 WeakPolarHBondContact O-CB 3.36Å; K359-K362 PolarHBondContact O-N 3.08Å; K359-E363 WeakPolarHBondContact CE-OE1 3.25Å; K359-E363 IonicContact NZ-OE1 3.64Å; K359-E363 WeakPolarHBondContact O-CG 3.47Å; K359-E363 PolarHBondContact O-N 3.29Å
360L65.4Low78.9Confident102 Ų10280.8 Ų80.853%0.53441%0.411SS..Hα-helixtrans-59-45.1177.3-177.566.7000112.1T358 K362 E363 M364T358-L360 VanDerWaalsContact C-N 3.29Å; T358-L360 PolarHBondContact O-N 3.44Å; L360-K362 VanDerWaalsContact C-N 3.31Å; L360-K362 PolarHBondContact O-N 3.05Å; L360-E363 WeakPolarHBondContact O-CB 3.21Å; L360-E363 PolarHBondContact O-N 3.01Å; L360-M364 HydrophobicContact CD1-CE 4.06Å; L360-M364 HydrophobicContact CD2-CE 4.14Å; L360-M364 HydrophobicContact CG-CE 3.93Å; L360-M364 HydrophobicContact CG-SD 4.43Å; L360-M364 WeakPolarHBondContact O-CG 3.42Å; L360-M364 PolarHBondContact O-N 2.93Å
361M60.6Low79.1Confident66 Ų6681.7 Ų81.733%0.32541%0.412SS..Hα-helixtrans-66-35.3178.7-71.5166.2167.600112.1A356 P357 T358 K359 M364 G365 Y366A356-M361 HydrophobicContact CB-CB 4Å; P357-M361 HydrophobicContact CG-SD 3.89Å; T358-M361 HydrophobicContact CG2-SD 4.35Å; T358-M361 PolarHBondContact O-N 2.96Å; T358-M361 VanDerWaalsContact OG1-CG 3.24Å; T358-M361 WeakPolarHBondContact OG1-CG 3.45Å; T358-M361 PolarHBondContact OG1-N 3.05Å; T358-M361 PolarHBondContact OG1-SD 3.05Å; T358-M361 VanDerWaalsContact OG1-SD 3.37Å; K359-M361 PolarHBondContact O-N 2.96Å; M361-M364 PolarHBondContact O-N 3.12Å; M361-G365 PolarHBondContact O-N 3.01Å; M361-Y366 HydrophobicContact CB-CD2 3.97Å; M361-Y366 HydrophobicContact CB-CG 4.48Å; M361-Y366 HydrophobicContact CG-CD2 4Å; M361-Y366 HydrophobicContact CG-CE2 4.3Å; M361-Y366 WeakPolarHBondContact O-CB 3.43Å; M361-Y366 PolarHBondContact O-N 3.29Å; M361-Y366 VanDerWaalsContact O-N 3.12Å
362K72.5Confident79.3Confident124 Ų12484 Ų8454%0.53941%0.414SS..Hα-helixtrans-65.2-41.4172.5-67179.3-178.1-176.70111.3A356 T358 K359 L360 M364 G365 Q368A356-K362 HydrophobicContact CB-CG 3.69Å; A356-K362 WeakPolarHBondContact O-CE 3.19Å; T358-K362 PolarHBondContact O-N 3.03Å; T358-K362 VanDerWaalsContact O-N 3.14Å; K359-K362 WeakPolarHBondContact O-CB 3.36Å; K359-K362 PolarHBondContact O-N 3.08Å; L360-K362 VanDerWaalsContact C-N 3.31Å; L360-K362 PolarHBondContact O-N 3.05Å; K362-M364 VanDerWaalsContact C-N 3.27Å; K362-M364 PolarHBondContact O-N 3.11Å; K362-G365 PolarHBondContact O-N 2.96Å; K362-G365 VanDerWaalsContact O-N 3.12Å; K362-Q368 PolarHBondContact O-NE2 3.45Å
363E76.6Confident79.5Confident124 Ų12484.6 Ų84.658%0.57942%0.421SS*.Hα-helixtrans-64.2-31.5174.8-71.8168.3-174.600111.9K359 L360 G365K359-E363 WeakPolarHBondContact CE-OE1 3.25Å; K359-E363 IonicContact NZ-OE1 3.64Å; K359-E363 WeakPolarHBondContact O-CG 3.47Å; K359-E363 PolarHBondContact O-N 3.29Å; L360-E363 WeakPolarHBondContact O-CB 3.21Å; L360-E363 PolarHBondContact O-N 3.01Å; E363-G365 PolarHBondContact O-N 3.32Å
364M69.5Low79.6Confident105 Ų10588.7 Ų88.752%0.51744%0.438SS..THydrogen-bonded Turntrans-76.21.3173-70.2178.4173.900114.4L360 M361 K362 Y366L360-M364 HydrophobicContact CD1-CE 4.06Å; L360-M364 HydrophobicContact CD2-CE 4.14Å; L360-M364 HydrophobicContact CG-CE 3.93Å; L360-M364 HydrophobicContact CG-SD 4.43Å; L360-M364 WeakPolarHBondContact O-CG 3.42Å; L360-M364 PolarHBondContact O-N 2.93Å; M361-M364 PolarHBondContact O-N 3.12Å; K362-M364 VanDerWaalsContact C-N 3.27Å; K362-M364 PolarHBondContact O-N 3.11Å; M364-Y366 HydrophobicContact CB-CD1 4.02Å; M364-Y366 HydrophobicContact CB-CE1 3.99Å; M364-Y366 PolarHBondContact O-N 3.41Å
365G77.2Confident79.9Confident19 Ų1992.5 Ų92.520%0.19646%0.463CS..THydrogen-bonded Turntrans82.85.8177.600000115.4M361 K362 E363 G367 Q368M361-G365 PolarHBondContact O-N 3.01Å; K362-G365 PolarHBondContact O-N 2.96Å; K362-G365 VanDerWaalsContact O-N 3.12Å; E363-G365 PolarHBondContact O-N 3.32Å; G365-G367 PolarHBondContact O-N 3.2Å; G365-Q368 WeakPolarHBondContact O-CB 3.39Å; G365-Q368 PolarHBondContact O-N 3.36Å
366Y77.5Confident80.5Confident55 Ų5588.9 Ų88.922%0.21644%0.442CS..THydrogen-bonded Turntrans-64.3130.6-175.7-69.86.5000110.7V351 R354 A356 M361 M364 Q368V351-Y366 HydrophobicContact CG1-CD1 3.68Å; V351-Y366 HydrophobicContact CG1-CE1 4.2Å; R354-Y366 HydrophobicContact CB-CD2 4.01Å; R354-Y366 HydrophobicContact CB-CG 4.07Å; R354-Y366 PolarHBondContact NH1-OH 3.3Å; R354-Y366 VanDerWaalsContact NH1-OH 3.14Å; A356-Y366 VanDerWaalsContact CB-O 3.29Å; A356-Y366 WeakPolarHBondContact CB-O 3.4Å; M361-Y366 HydrophobicContact CB-CD2 3.97Å; M361-Y366 HydrophobicContact CB-CG 4.48Å; M361-Y366 HydrophobicContact CG-CD2 4Å; M361-Y366 HydrophobicContact CG-CE2 4.3Å; M361-Y366 WeakPolarHBondContact O-CB 3.43Å; M361-Y366 PolarHBondContact O-N 3.29Å; M361-Y366 VanDerWaalsContact O-N 3.12Å; M364-Y366 HydrophobicContact CB-CD1 4.02Å; M364-Y366 HydrophobicContact CB-CE1 3.99Å; M364-Y366 PolarHBondContact O-N 3.41Å; Y366-Q368 PolarHBondContact O-N 3.36Å
367G77.8Confident81.1Confident26 Ų2691.5 Ų91.527%0.26846%0.463SS..THydrogen-bonded Turntrans66.5-1.5-178.900000115.8V351 R354 G365 E369 Y370V351-G367 PolarHBondContact O-N 2.86Å; R354-G367 PolarHBondContact O-N 3.27Å; G365-G367 PolarHBondContact O-N 3.2Å; G367-E369 PolarHBondContact O-N 2.61Å; G367-Y370 VanDerWaalsContact O-CB 3.25Å; G367-Y370 WeakPolarHBondContact O-CB 3.46Å; G367-Y370 PolarHBondContact O-N 3.5Å; G367-Y370 VanDerWaalsContact O-N 3.11Å
368Q81.8Confident82Confident139 Ų13992.1 Ų92.165%0.6546%0.461SS*.THydrogen-bonded Turntrans-63.3-33.2-178.6-71.7-171.24.800112.4K362 G365 Y366 Y370K362-Q368 PolarHBondContact O-NE2 3.45Å; G365-Q368 WeakPolarHBondContact O-CB 3.39Å; G365-Q368 PolarHBondContact O-N 3.36Å; Y366-Q368 PolarHBondContact O-N 3.36Å; Q368-Y370 VanDerWaalsContact C-N 3.34Å
369E88.2Confident83.4Confident131 Ų13191.3 Ų91.361%0.61246%0.461SS*.THydrogen-bonded Turntrans-92.79.1178.6-57.8-175.3172.900113.3H352 G367 R371 R426H352-E369 HydrophobicContact CB-CB 4Å; G367-E369 PolarHBondContact O-N 2.61Å; E369-R371 PolarHBondContact O-N 3.32Å; E369-R426 PolarHBondContact O-NH2 3.39Å; E369-R426 IonicContact OE2-NH1 2.78Å; E369-R426 PolarHBondContact OE2-NH1 2.99Å
370Y91.9Very high84.7Confident109 Ų10986.3 Ų86.343%0.42744%0.438SS..  trans-66.4121.9178.2-178.6-114.3000110.4H352 L353 G367 Q368 Y372H352-Y370 VanDerWaalsContact O-CB 3.31Å; H352-Y370 WeakPolarHBondContact O-CB 3.49Å; L353-Y370 HydrophobicContact CD2-CD2 4.18Å; L353-Y370 HydrophobicContact CD2-CE2 4.24Å; G367-Y370 VanDerWaalsContact O-CB 3.25Å; G367-Y370 WeakPolarHBondContact O-CB 3.46Å; G367-Y370 PolarHBondContact O-N 3.5Å; G367-Y370 VanDerWaalsContact O-N 3.11Å; Q368-Y370 VanDerWaalsContact C-N 3.34Å; Y370-Y372 AromaticContact CE1-CD2 3.96Å; Y370-Y372 HydrophobicContact CE1-CD2 3.96Å
371R93.7Very high86.2Confident35 Ų3581.5 Ų81.513%0.13241%0.413CS..  trans-90.6105.5175.1-66.5175.462.4-156.52.2109.5E369 A373 E376 A381 A382 E384E369-R371 PolarHBondContact O-N 3.32Å; R371-A373 PolarHBondContact O-N 3.28Å; R371-A373 VanDerWaalsContact O-N 3.12Å; R371-E376 IonicContact CZ-OE1 3.18Å; R371-E376 IonicContact NE-OE1 2.91Å; R371-E376 PolarHBondContact NE-OE1 2.74Å; R371-E376 IonicContact NH2-OE1 2.88Å; R371-E376 PolarHBondContact NH2-OE1 3.31Å; R371-E376 IonicContact NH2-OE2 2.9Å; R371-E376 PolarHBondContact NH2-OE2 2.81Å; R371-A381 HydrophobicContact CB-CB 3.81Å; R371-A382 PolarHBondContact NH1-O 3.23Å; R371-E384 WeakPolarHBondContact CD-OE2 3.5Å
372Y93Very high87.9Confident118 Ų11879.2 Ų79.246%0.46340%0.404SS..  trans-71.7108178.9-174.2-131.1000110.4Y370 H374 D375Y370-Y372 AromaticContact CE1-CD2 3.96Å; Y370-Y372 HydrophobicContact CE1-CD2 3.96Å; Y372-H374 HydrophobicContact CD1-CB 4.16Å; Y372-H374 HydrophobicContact CE1-CB 3.68Å; Y372-H374 AromaticContact CE2-CD2 3.86Å; Y372-H374 AromaticContact CZ-CD2 3.62Å; Y372-H374 PolarHBondContact O-N 2.71Å; Y372-H374 PolarHBondContact OH-CD2 3.35Å; Y372-D375 WeakPolarHBondContact CD1-OD2 3.37Å; Y372-D375 PolarHBondContact O-N 3.29Å
373A94.3Very high88.9Confident22 Ų2273.6 Ų73.618%0.18238%0.382CS..G310 helixtrans-54.9-33.6-17000000113.9R371 D375 E376 A379 Y380R371-A373 PolarHBondContact O-N 3.28Å; R371-A373 VanDerWaalsContact O-N 3.12Å; A373-D375 PolarHBondContact O-N 3.08Å; A373-E376 WeakPolarHBondContact O-CB 3.46Å; A373-E376 PolarHBondContact O-N 3.17Å; A373-E376 VanDerWaalsContact O-N 3.12Å; A373-A379 CarbonylContact O-C 3.6Å; A373-A379 WeakPolarHBondContact O-CA 3.37Å; A373-Y380 PolarHBondContact O-N 2.7Å
374H94.8Very high89.8Confident134 Ų13468.3 Ų68.362%0.6236%0.357SS*.G310 helixtrans-67.1-20.6179.8-73.7-72.5000114.6Y372 E376Y372-H374 HydrophobicContact CD1-CB 4.16Å; Y372-H374 HydrophobicContact CE1-CB 3.68Å; Y372-H374 AromaticContact CE2-CD2 3.86Å; Y372-H374 AromaticContact CZ-CD2 3.62Å; Y372-H374 PolarHBondContact O-N 2.71Å; Y372-H374 PolarHBondContact OH-CD2 3.35Å; H374-E376 VanDerWaalsContact C-N 3.34Å
375D95Very high91Very high137 Ų13764.8 Ų64.873%0.73334%0.342SS*.G310 helixtrans-87.5-8.8175.8-64.1-17.8000112.2Y372 A373Y372-D375 WeakPolarHBondContact CD1-OD2 3.37Å; Y372-D375 PolarHBondContact O-N 3.29Å; A373-D375 PolarHBondContact O-N 3.08Å
376E93.5Very high91.8Very high65 Ų6569 Ų6930%0.30435%0.352SS..SBendtrans-94.4160.3-178.2-64.4-88.8-160.900111.3R371 A373 H374 N378 A379 A381R371-E376 IonicContact CZ-OE1 3.18Å; R371-E376 IonicContact NE-OE1 2.91Å; R371-E376 PolarHBondContact NE-OE1 2.74Å; R371-E376 IonicContact NH2-OE1 2.88Å; R371-E376 PolarHBondContact NH2-OE1 3.31Å; R371-E376 IonicContact NH2-OE2 2.9Å; R371-E376 PolarHBondContact NH2-OE2 2.81Å; A373-E376 WeakPolarHBondContact O-CB 3.46Å; A373-E376 PolarHBondContact O-N 3.17Å; A373-E376 VanDerWaalsContact O-N 3.12Å; H374-E376 VanDerWaalsContact C-N 3.34Å; E376-N378 PolarHBondContact O-N 2.76Å; E376-A379 PolarHBondContact O-N 2.62Å; E376-A381 HydrophobicContact CG-CB 4.19Å
377A91.6Very high92.7Very high77 Ų7769.6 Ų69.664%0.63636%0.356SS*.G310 helixtrans-55.9137.4175.600000111.2A379 Y380A377-A379 PolarHBondContact O-N 3.08Å; A377-A379 VanDerWaalsContact O-N 3.15Å; A377-Y380 PolarHBondContact O-N 3.39Å
378N92.9Very high93.4Very high118 Ų11869 Ų6963%0.63135%0.348SS*.G310 helixtrans59.217.2-176-52.8-52.8000115.4E376 Y380 W414E376-N378 PolarHBondContact O-N 2.76Å; N378-Y380 PolarHBondContact O-N 2.76Å; N378-W414 HydrophobicContact CB-CH2 3.76Å
379A95Very high94Very high50 Ų5066.2 Ų66.241%0.41334%0.341SS..G310 helixtrans56.437.1-172.800000113A373 E376 A377A373-A379 CarbonylContact O-C 3.6Å; A373-A379 WeakPolarHBondContact O-CA 3.37Å; E376-A379 PolarHBondContact O-N 2.62Å; A377-A379 PolarHBondContact O-N 3.08Å; A377-A379 VanDerWaalsContact O-N 3.15Å
380Y96.2Very high94.2Very high57 Ų5765.6 Ų65.622%0.22434%0.339CS..  trans-142.4120.8-177.9-174.9-114.6000112.3A373 A377 N378 A382 L415 Q418 D419A373-Y380 PolarHBondContact O-N 2.7Å; A377-Y380 PolarHBondContact O-N 3.39Å; N378-Y380 PolarHBondContact O-N 2.76Å; Y380-A382 VanDerWaalsContact C-N 3.31Å; Y380-A382 HydrophobicContact CD1-CB 4.09Å; Y380-A382 HydrophobicContact CE1-CB 4.25Å; Y380-A382 PolarHBondContact O-N 3.15Å; Y380-L415 HydrophobicContact CD1-CD2 3.5Å; Y380-L415 HydrophobicContact CD2-CD1 4.46Å; Y380-L415 HydrophobicContact CD2-CD2 3.69Å; Y380-L415 HydrophobicContact CE1-CB 4.05Å; Y380-L415 HydrophobicContact CE1-CD2 3.66Å; Y380-L415 HydrophobicContact CE1-CG 4.4Å; Y380-L415 HydrophobicContact CE2-CB 4.47Å; Y380-L415 HydrophobicContact CE2-CD1 4.11Å; Y380-L415 HydrophobicContact CE2-CD2 3.85Å; Y380-L415 HydrophobicContact CE2-CG 4.38Å; Y380-L415 HydrophobicContact CG-CD2 3.51Å; Y380-Q418 HydrophobicContact CD1-CB 4.38Å; Y380-Q418 HydrophobicContact CE1-CB 4.34Å; Y380-D419 WeakPolarHBondContact CE1-OD1 3.29Å; Y380-D419 VanDerWaalsContact OH-CG 3.27Å; Y380-D419 PolarHBondContact OH-OD1 3.29Å; Y380-D419 PolarHBondContact OH-OD2 2.78Å
381A96.2Very high94.3Very high1 Ų161.4 Ų61.41%0.00832%0.323CS..  trans-77.376.417700000111.4R371 E376 G383 E384R371-A381 HydrophobicContact CB-CB 3.81Å; E376-A381 HydrophobicContact CG-CB 4.19Å; A381-G383 PolarHBondContact O-N 3.4Å; A381-E384 HydrophobicContact CB-CB 4.12Å; A381-E384 WeakPolarHBondContact O-CB 3.42Å; A381-E384 PolarHBondContact O-N 2.67Å
382A95.9Very high94.3Very high17 Ų1760.7 Ų60.714%0.1433%0.325CS..THydrogen-bonded Turntrans-57.4132.5-175.900000112.7R371 Y380 E384 Q418 D419 S422R371-A382 PolarHBondContact NH1-O 3.23Å; Y380-A382 VanDerWaalsContact C-N 3.31Å; Y380-A382 HydrophobicContact CD1-CB 4.09Å; Y380-A382 HydrophobicContact CE1-CB 4.25Å; Y380-A382 PolarHBondContact O-N 3.15Å; A382-E384 VanDerWaalsContact C-N 3.34Å; A382-Q418 HydrophobicContact CB-CB 4.1Å; A382-D419 WeakPolarHBondContact CA-OD1 3.25Å; A382-S422 WeakPolarHBondContact O-CB 3.43Å; A382-S422 PolarHBondContact O-OG 3.4Å
383G94.7Very high94.3Very high7 Ų763.8 Ų63.87%0.07234%0.344CS..THydrogen-bonded Turntrans82.75.4-178.600000115.3A381 D419 I424 R426A381-G383 PolarHBondContact O-N 3.4Å; G383-D419 PolarHBondContact N-OD1 3.36Å; G383-I424 WeakPolarHBondContact CA-O 3.17Å; G383-R426 PolarHBondContact O-N 3.06Å; G383-R426 VanDerWaalsContact O-N 3.08Å
384E95.2Very high94.4Very high13 Ų1364.3 Ų64.36%0.06135%0.345CS..  trans-72.3147.4170.6-171.556.7-88.600111.5H352 R371 A381 A382 Y386 R426H352-E384 IonicContact CD2-OE1 3.48Å; H352-E384 IonicContact NE2-OE1 2.79Å; H352-E384 PolarHBondContact NE2-OE1 2.99Å; R371-E384 WeakPolarHBondContact CD-OE2 3.5Å; A381-E384 HydrophobicContact CB-CB 4.12Å; A381-E384 WeakPolarHBondContact O-CB 3.42Å; A381-E384 PolarHBondContact O-N 2.67Å; A382-E384 VanDerWaalsContact C-N 3.34Å; E384-Y386 HydrophobicContact CB-CE2 4.17Å; E384-Y386 HydrophobicContact CG-CD2 4.39Å; E384-Y386 HydrophobicContact CG-CE1 4.4Å; E384-Y386 HydrophobicContact CG-CE2 3.77Å; E384-R426 WeakPolarHBondContact OE1-CG 3.43Å; E384-R426 IonicContact OE1-CZ 2.8Å; E384-R426 IonicContact OE1-NE 3.73Å; E384-R426 PolarHBondContact OE1-NE 3.23Å; E384-R426 IonicContact OE1-NH2 3.34Å; E384-R426 PolarHBondContact OE1-NH2 3.15Å; E384-R426 IonicContact OE2-CZ 3.24Å; E384-R426 IonicContact OE2-NE 2.77Å; E384-R426 IonicContact OE2-NH2 3.02Å; E384-R426 PolarHBondContact OE2-NH2 3.4Å
385V95.1Very high94.4Very high31 Ų3164.4 Ų64.419%0.18834%0.34CS..  trans-128.3127.2175.3-177.30000109.6H352 F387 A392 R426 Y427H352-V385 PolarHBondContact CE1-O 3.41Å; H352-V385 PolarHBondContact NE2-O 2.86Å; V385-F387 HydrophobicContact CG1-CB 4.32Å; V385-A392 HydrophobicContact CG1-CB 3.95Å; V385-R426 HydrophobicContact CB-CB 4.11Å; V385-R426 HydrophobicContact CB-CG 4.14Å; V385-R426 HydrophobicContact CG2-CB 4.09Å; V385-Y427 HydrophobicContact CB-CD2 3.8Å; V385-Y427 HydrophobicContact CB-CE2 3.61Å; V385-Y427 HydrophobicContact CG1-CD2 3.74Å; V385-Y427 HydrophobicContact CG1-CE2 3.38Å; V385-Y427 HydrophobicContact CG2-CD2 4.07Å; V385-Y427 HydrophobicContact CG2-CE2 4.39Å
386Y94.7Very high94.5Very high107 Ų10760.1 Ų60.142%0.4231%0.314SS..  trans-97.3-14.2-175.9-64.7-93.3000113.6L353 E384L353-Y386 HydrophobicContact CD1-CD1 3.99Å; L353-Y386 VanDerWaalsContact CD1-O 3.24Å; L353-Y386 WeakPolarHBondContact CD1-O 3.35Å; L353-Y386 HydrophobicContact CD2-CD1 3.57Å; L353-Y386 HydrophobicContact CD2-CE1 3.89Å; L353-Y386 HydrophobicContact CG-CD1 4.42Å; E384-Y386 HydrophobicContact CB-CE2 4.17Å; E384-Y386 HydrophobicContact CG-CD2 4.39Å; E384-Y386 HydrophobicContact CG-CE1 4.4Å; E384-Y386 HydrophobicContact CG-CE2 3.77Å
387F95.1Very high94.7Very high68 Ų6859.5 Ų59.530%0.29831%0.309SS..SBendtrans-82.4157.8173-83.1-57.5000111.7V385 I391 T394 Y396 Y427V385-F387 HydrophobicContact CG1-CB 4.32Å; F387-I391 HydrophobicContact CB-CG1 3.99Å; F387-I391 HydrophobicContact CD1-CD1 3.52Å; F387-I391 HydrophobicContact CD1-CG1 3.77Å; F387-I391 HydrophobicContact CE1-CD1 3.99Å; F387-I391 HydrophobicContact CG-CD1 4.31Å; F387-I391 HydrophobicContact CG-CG1 4.05Å; F387-T394 WeakPolarHBondContact CE2-O 3.31Å; F387-Y396 HydrophobicContact CE1-CE2 4.14Å; F387-Y396 HydrophobicContact CZ-CD2 4.16Å; F387-Y396 AromaticContact CZ-CE2 3.7Å; F387-Y396 HydrophobicContact CZ-CE2 3.7Å; F387-Y427 VanDerWaalsContact O-CE2 3.23Å; F387-Y427 WeakPolarHBondContact O-CE2 3.06Å; F387-Y427 PolarHBondContact O-OH 3.04Å
388P93.7Very high95Very high14 Ų1461.8 Ų61.89%0.09131%0.305CS..  trans-54.9151.2160.6-2333.4000111.8Y347 P350 E390 I391 A392Y347-P388 HydrophobicContact CG-CB 4.46Å; P350-P388 HydrophobicContact CG-CG 4.5Å; P388-E390 WeakPolarHBondContact CB-OE2 3.44Å; P388-E390 PolarHBondContact O-N 3.32Å; P388-E390 VanDerWaalsContact O-N 3.12Å; P388-I391 HydrophobicContact CB-CG1 4.39Å; P388-I391 HydrophobicContact CG-CD1 4.48Å; P388-I391 HydrophobicContact CG-CG1 4.31Å; P388-I391 CarbonylContact O-C 3.52Å; P388-I391 PolarHBondContact O-N 2.96Å; P388-I391 VanDerWaalsContact O-N 3.09Å; P388-A392 PolarHBondContact O-N 2.87Å
389P93.1Very high95.2Very high79 Ų7957.4 Ų57.451%0.51328%0.283SS..G310 helixtrans-50-38.1179.3-2733.8000113.9I391 A392 Y427P389-I391 PolarHBondContact O-N 3.47Å; P389-A392 WeakPolarHBondContact O-CB 3.42Å; P389-A392 PolarHBondContact O-N 3.03Å; P389-Y427 HydrophobicContact CG-CD1 4.19Å; P389-Y427 HydrophobicContact CG-CE1 3.8Å; P389-Y427 HydrophobicContact CG-CE2 4.28Å
390E92.9Very high95.3Very high119 Ų11956.6 Ų56.656%0.55627%0.273SS*.G310 helixtrans-65-27.3-175.8-58.286.4170.300113.1Y347 P388Y347-E390 HydrophobicContact CD1-CB 4.06Å; Y347-E390 HydrophobicContact CD1-CG 3.91Å; Y347-E390 HydrophobicContact CE1-CB 3.6Å; Y347-E390 HydrophobicContact CE1-CG 3.53Å; Y347-E390 HydrophobicContact CE2-CB 4.31Å; P388-E390 WeakPolarHBondContact CB-OE2 3.44Å; P388-E390 PolarHBondContact O-N 3.32Å; P388-E390 VanDerWaalsContact O-N 3.12Å
391I94.1Very high95.3Very high20 Ų2060.8 Ų60.810%0.10330%0.299CS..G310 helixtrans-124.617.3-177.867.2171.4000112.3R344 Y347 F387 P388 P389 Q393 T394R344-I391 VanDerWaalsContact NH1-CG2 3.26Å; Y347-I391 HydrophobicContact CD2-CD1 4.4Å; Y347-I391 HydrophobicContact CD2-CG2 4.04Å; Y347-I391 HydrophobicContact CE2-CG2 3.63Å; F387-I391 HydrophobicContact CB-CG1 3.99Å; F387-I391 HydrophobicContact CD1-CD1 3.52Å; F387-I391 HydrophobicContact CD1-CG1 3.77Å; F387-I391 HydrophobicContact CE1-CD1 3.99Å; F387-I391 HydrophobicContact CG-CD1 4.31Å; F387-I391 HydrophobicContact CG-CG1 4.05Å; P388-I391 HydrophobicContact CB-CG1 4.39Å; P388-I391 HydrophobicContact CG-CD1 4.48Å; P388-I391 HydrophobicContact CG-CG1 4.31Å; P388-I391 CarbonylContact O-C 3.52Å; P388-I391 PolarHBondContact O-N 2.96Å; P388-I391 VanDerWaalsContact O-N 3.09Å; P389-I391 PolarHBondContact O-N 3.47Å; I391-Q393 PolarHBondContact O-N 3Å; I391-T394 WeakPolarHBondContact CB-OG1 3.17Å; I391-T394 VanDerWaalsContact O-CB 3.22Å; I391-T394 WeakPolarHBondContact O-CB 3.12Å; I391-T394 PolarHBondContact O-N 3.26Å; I391-T394 PolarHBondContact O-OG1 3.41Å
392A94.1Very high95.3Very high21 Ų2167.1 Ų67.117%0.17432%0.323CS..THydrogen-bonded Turntrans-52.3-32.3-174.900000114.5V385 P388 P389 Y427V385-A392 HydrophobicContact CG1-CB 3.95Å; P388-A392 PolarHBondContact O-N 2.87Å; P389-A392 WeakPolarHBondContact O-CB 3.42Å; P389-A392 PolarHBondContact O-N 3.03Å; A392-Y427 HydrophobicContact CB-CD2 3.74Å; A392-Y427 HydrophobicContact CB-CE2 4.05Å
393Q92.5Very high95.4Very high182 Ų18268.6 Ų68.685%0.8534%0.34SS*.THydrogen-bonded Turntrans-93.26.2-177.8-58.6-58.4-35.500113.6I391I391-Q393 PolarHBondContact O-N 3Å
394T95.4Very high95.5Very high34 Ų3472.4 Ų72.421%0.20936%0.358CS..  trans-73.3135.1-176.8-54.40000110.8F387 I391 Y396F387-T394 WeakPolarHBondContact CE2-O 3.31Å; I391-T394 WeakPolarHBondContact CB-OG1 3.17Å; I391-T394 VanDerWaalsContact O-CB 3.22Å; I391-T394 WeakPolarHBondContact O-CB 3.12Å; I391-T394 PolarHBondContact O-N 3.26Å; I391-T394 PolarHBondContact O-OG1 3.41Å; T394-Y396 HydrophobicContact CG2-CD1 4.14Å; T394-Y396 HydrophobicContact CG2-CD2 4.48Å; T394-Y396 HydrophobicContact CG2-CE1 3.57Å; T394-Y396 HydrophobicContact CG2-CE2 3.96Å; T394-Y396 VanDerWaalsContact CG2-CZ 3.46Å
395R96.4Very high95.5Very high136 Ų13671.8 Ų71.851%0.51336%0.355SS..  trans-130.6117.9174.2-175.5174.1-179.5170.84.4109.8Y397 F398R395-Y397 PolarHBondContact NE-O 3.42Å; R395-Y397 VanDerWaalsContact NE-O 3.15Å; R395-F398 HydrophobicContact CB-CE1 4.47Å; R395-F398 HydrophobicContact CB-CZ 3.99Å; R395-F398 HydrophobicContact CG-CE1 3.96Å; R395-F398 HydrophobicContact CG-CE2 4.28Å; R395-F398 HydrophobicContact CG-CZ 3.81Å; R395-F398 WeakPolarHBondContact O-CE2 3.2Å; R395-F398 WeakPolarHBondContact O-CZ 3.38Å
396Y97.4Very high95.6Very high46 Ų4671 Ų7118%0.1835%0.353CS..  trans-94.7-39.5176.7-59.5-59.8000112.8A333 A336 A337 D340 F387 T394 F398A333-Y396 WeakPolarHBondContact CA-O 3.38Å; A333-Y396 WeakPolarHBondContact CB-O 3.2Å; A336-Y396 HydrophobicContact CB-CD1 3.78Å; A336-Y396 HydrophobicContact CB-CE1 4.31Å; A337-Y396 HydrophobicContact CB-CD1 4.4Å; A337-Y396 HydrophobicContact CB-CD2 3.94Å; A337-Y396 HydrophobicContact CB-CE1 4.41Å; A337-Y396 HydrophobicContact CB-CE2 3.95Å; A337-Y396 HydrophobicContact CB-CG 4.16Å; D340-Y396 HydrophobicContact CB-CE1 4.42Å; D340-Y396 WeakPolarHBondContact CB-OH 3.47Å; D340-Y396 WeakPolarHBondContact OD2-CE1 3.34Å; D340-Y396 PolarHBondContact OD2-OH 3.43Å; F387-Y396 HydrophobicContact CE1-CE2 4.14Å; F387-Y396 HydrophobicContact CZ-CD2 4.16Å; F387-Y396 AromaticContact CZ-CE2 3.7Å; F387-Y396 HydrophobicContact CZ-CE2 3.7Å; T394-Y396 HydrophobicContact CG2-CD1 4.14Å; T394-Y396 HydrophobicContact CG2-CD2 4.48Å; T394-Y396 HydrophobicContact CG2-CE1 3.57Å; T394-Y396 HydrophobicContact CG2-CE2 3.96Å; T394-Y396 VanDerWaalsContact CG2-CZ 3.46Å; Y396-F398 WeakPolarHBondContact O-CD2 3.46Å
397Y97.8Very high95.8Very high53 Ų5372.9 Ų72.921%0.20836%0.364CS..  trans-94.7120-172.4-175.1-125.4000111.8N286 A329 V330 A333 R395 P399 E405 I408 L412N286-Y397 PolarHBondContact ND2-OH 2.88Å; A329-Y397 HydrophobicContact CB-CD2 4.11Å; A329-Y397 HydrophobicContact CB-CE2 3.63Å; V330-Y397 HydrophobicContact CG2-CD2 4.46Å; V330-Y397 HydrophobicContact CG2-CE2 3.77Å; A333-Y397 HydrophobicContact CB-CD2 4.19Å; R395-Y397 PolarHBondContact NE-O 3.42Å; R395-Y397 VanDerWaalsContact NE-O 3.15Å; Y397-P399 HydrophobicContact CD1-CG 4.03Å; Y397-P399 HydrophobicContact CE1-CB 4.34Å; Y397-P399 HydrophobicContact CE1-CG 3.65Å; Y397-E405 WeakPolarHBondContact OH-CG 3.41Å; Y397-E405 PolarHBondContact OH-OE1 3.03Å; Y397-I408 HydrophobicContact CE1-CG2 4.11Å; Y397-L412 HydrophobicContact CD1-CD1 4.2Å; Y397-L412 HydrophobicContact CE1-CD1 4.39Å
398F97.3Very high95.9Very high124 Ų12472 Ų7254%0.54436%0.362SS..  trans-121.192177.4-62.8-86.8000108.5A329 R395 Y396A329-F398 VanDerWaalsContact CB-O 3.27Å; A329-F398 WeakPolarHBondContact CB-O 3.31Å; R395-F398 HydrophobicContact CB-CE1 4.47Å; R395-F398 HydrophobicContact CB-CZ 3.99Å; R395-F398 HydrophobicContact CG-CE1 3.96Å; R395-F398 HydrophobicContact CG-CE2 4.28Å; R395-F398 HydrophobicContact CG-CZ 3.81Å; R395-F398 WeakPolarHBondContact O-CE2 3.2Å; R395-F398 WeakPolarHBondContact O-CZ 3.38Å; Y396-F398 WeakPolarHBondContact O-CD2 3.46Å
399P96.8Very high96.1Very high27 Ų2772.4 Ų72.418%0.17537%0.369CS..  trans-56.8141.6179.4-17.926000111.6Y397 E405 I408 L412Y397-P399 HydrophobicContact CD1-CG 4.03Å; Y397-P399 HydrophobicContact CE1-CB 4.34Å; Y397-P399 HydrophobicContact CE1-CG 3.65Å; P399-E405 HydrophobicContact CB-CG 3.61Å; P399-I408 HydrophobicContact CG-CG2 4.31Å; P399-L412 HydrophobicContact CG-CD1 3.74Å
400T96.4Very high96.3Very high33 Ų3375.2 Ų75.220%0.20238%0.375CS..  trans-81166.3170.371.10000111.4A329 R402 E405 G406A329-T400 HydrophobicContact CB-CG2 4.49Å; T400-R402 PolarHBondContact O-N 3.01Å; T400-R402 PolarHBondContact OG1-N 3.27Å; T400-E405 VanDerWaalsContact CB-OE2 3.27Å; T400-E405 WeakPolarHBondContact CB-OE2 3.21Å; T400-E405 WeakPolarHBondContact CG2-OE2 3.42Å; T400-E405 PolarHBondContact N-OE2 2.9Å; T400-E405 CarbonylContact O-C 3.45Å; T400-E405 VanDerWaalsContact O-C 3.28Å; T400-E405 PolarHBondContact OG1-OE2 3.01Å; T400-G406 WeakPolarHBondContact O-CA 3.43Å; T400-G406 PolarHBondContact O-N 3.1Å
401N96.7Very high96.5Very high145 Ų14576 Ų7678%0.77538%0.376SS*.SBendtrans-84.417173.766.5-16.5000113.5
402R96.8Very high96.7Very high133 Ų13377.9 Ų77.950%0.50239%0.387SS..SBendtrans-107.7138.9-171.5-58.7168.4-174.7172.51.1110.9P325 K326 T400 E405P325-R402 HydrophobicContact CB-CB 4.25Å; K326-R402 WeakPolarHBondContact O-CD 3.27Å; K326-R402 PolarHBondContact O-NH1 2.87Å; T400-R402 PolarHBondContact O-N 3.01Å; T400-R402 PolarHBondContact OG1-N 3.27Å; R402-E405 WeakPolarHBondContact O-CB 3.49Å; R402-E405 PolarHBondContact O-N 3.37Å
403G96.5Very high96.8Very high49 Ų4979.9 Ų79.951%0.50540%0.403SS..THydrogen-bonded Turntrans57.3-143.1176.300000113A287 E405A287-G403 CarbonylContact O-C 3.57Å; A287-G403 WeakPolarHBondContact O-CA 3.46Å; G403-E405 PolarHBondContact O-N 3.29Å
404L97Very high97Very high86 Ų8676 Ų7645%0.4538%0.38SS..THydrogen-bonded Turntrans-64.6-28.6178.5-176.567.8000112.5A287 P289 G406 K407 I408A287-L404 PolarHBondContact O-N 3.24Å; P289-L404 HydrophobicContact CG-CD2 3.79Å; L404-G406 PolarHBondContact O-N 3.46Å; L404-K407 HydrophobicContact CD1-CD 4.37Å; L404-K407 WeakPolarHBondContact O-CB 3.47Å; L404-K407 PolarHBondContact O-N 2.94Å; L404-I408 PolarHBondContact O-N 3.35Å
405E96.5Very high97.1Very high0 Ų075.3 Ų75.30%038%0.375CS..Hα-helixtrans-63-26.7-175.3-165.1170.3-118.500112.9N286 A287 S327 Y397 P399 T400 R402 G403 K407 I408 G409N286-E405 HydrophobicContact CB-CB 4.44Å; N286-E405 HydrophobicContact CB-CG 4.26Å; N286-E405 PolarHBondContact O-N 3.07Å; A287-E405 HydrophobicContact CB-CB 4.44Å; S327-E405 WeakPolarHBondContact CB-OE2 3.29Å; S327-E405 VanDerWaalsContact OG-CD 3.23Å; S327-E405 PolarHBondContact OG-OE1 3.13Å; S327-E405 PolarHBondContact OG-OE2 3.29Å; Y397-E405 WeakPolarHBondContact OH-CG 3.41Å; Y397-E405 PolarHBondContact OH-OE1 3.03Å; P399-E405 HydrophobicContact CB-CG 3.61Å; T400-E405 VanDerWaalsContact CB-OE2 3.27Å; T400-E405 WeakPolarHBondContact CB-OE2 3.21Å; T400-E405 WeakPolarHBondContact CG2-OE2 3.42Å; T400-E405 PolarHBondContact N-OE2 2.9Å; T400-E405 CarbonylContact O-C 3.45Å; T400-E405 VanDerWaalsContact O-C 3.28Å; T400-E405 PolarHBondContact OG1-OE2 3.01Å; R402-E405 WeakPolarHBondContact O-CB 3.49Å; R402-E405 PolarHBondContact O-N 3.37Å; G403-E405 PolarHBondContact O-N 3.29Å; E405-K407 VanDerWaalsContact C-N 3.33Å; E405-K407 PolarHBondContact O-N 3.48Å; E405-I408 WeakPolarHBondContact O-CB 3.3Å; E405-I408 PolarHBondContact O-N 2.93Å; E405-I408 VanDerWaalsContact O-N 3.11Å; E405-G409 PolarHBondContact O-N 3.4Å
406G97.3Very high97Very high15 Ų1570.7 Ų70.716%0.15537%0.366CS..Hα-helixtrans-57.3-44.3171.500000112.7T400 L404 I408 G409 E410T400-G406 WeakPolarHBondContact O-CA 3.43Å; T400-G406 PolarHBondContact O-N 3.1Å; L404-G406 PolarHBondContact O-N 3.46Å; G406-I408 VanDerWaalsContact C-N 3.29Å; G406-I408 PolarHBondContact O-N 3.04Å; G406-G409 WeakPolarHBondContact O-CA 3.39Å; G406-G409 PolarHBondContact O-N 3.41Å; G406-G409 VanDerWaalsContact O-N 3.12Å; G406-E410 PolarHBondContact O-N 2.99Å
407K97.5Very high97Very high147 Ų14773.2 Ų73.264%0.63938%0.38SS*.Hα-helixtrans-66.7-31.4176.6-63.5-173.2178-176.70112.4L404 E405 G409 K411L404-K407 HydrophobicContact CD1-CD 4.37Å; L404-K407 WeakPolarHBondContact O-CB 3.47Å; L404-K407 PolarHBondContact O-N 2.94Å; E405-K407 VanDerWaalsContact C-N 3.33Å; E405-K407 PolarHBondContact O-N 3.48Å; K407-G409 VanDerWaalsContact C-N 3.35Å; K407-K411 PolarHBondContact O-N 3.39Å
408I97.5Very high96.9Very high49 Ų4973.3 Ų73.325%0.25138%0.382SS..Hα-helixtrans-66-43.4173.3-59.3176.1000109.3N286 Y397 P399 L404 E405 G406 K411 L412N286-I408 HydrophobicContact CB-CD1 4.01Å; Y397-I408 HydrophobicContact CE1-CG2 4.11Å; P399-I408 HydrophobicContact CG-CG2 4.31Å; L404-I408 PolarHBondContact O-N 3.35Å; E405-I408 WeakPolarHBondContact O-CB 3.3Å; E405-I408 PolarHBondContact O-N 2.93Å; E405-I408 VanDerWaalsContact O-N 3.11Å; G406-I408 VanDerWaalsContact C-N 3.29Å; G406-I408 PolarHBondContact O-N 3.04Å; I408-K411 PolarHBondContact O-N 3.37Å; I408-L412 HydrophobicContact CG2-CD1 4.11Å; I408-L412 HydrophobicContact CG2-CG 4.37Å; I408-L412 WeakPolarHBondContact O-CG 3.24Å; I408-L412 PolarHBondContact O-N 3.29Å
409G97.5Very high96.8Very high23 Ų2369.3 Ų69.324%0.23737%0.366CS..Hα-helixtrans-55.3-49.5173.200000112.9E405 G406 K407 L412 A413E405-G409 PolarHBondContact O-N 3.4Å; G406-G409 WeakPolarHBondContact O-CA 3.39Å; G406-G409 PolarHBondContact O-N 3.41Å; G406-G409 VanDerWaalsContact O-N 3.12Å; K407-G409 VanDerWaalsContact C-N 3.35Å; G409-L412 PolarHBondContact O-N 3.03Å; G409-A413 PolarHBondContact O-N 3.33Å
410E97.8Very high96.6Very high138 Ų13874.8 Ų74.865%0.64539%0.389SS*.Hα-helixtrans-58.4-47.9176.6-69.6167.9-173.400112.1G406 L412 A413 W414G406-E410 PolarHBondContact O-N 2.99Å; E410-L412 PolarHBondContact O-N 3.45Å; E410-A413 PolarHBondContact O-N 3.19Å; E410-W414 PolarHBondContact O-N 2.79Å
411K97.4Very high96.5Very high134 Ų13478.6 Ų78.658%0.58341%0.409SS*.Hα-helixtrans-59.3-47176.9-179.1-178.7176.7-177.40111.6K407 I408 A413 W414 L415K407-K411 PolarHBondContact O-N 3.39Å; I408-K411 PolarHBondContact O-N 3.37Å; K411-A413 VanDerWaalsContact C-N 3.31Å; K411-A413 PolarHBondContact O-N 2.91Å; K411-W414 PolarHBondContact O-N 3.12Å; K411-L415 HydrophobicContact CG-CD1 4.22Å; K411-L415 HydrophobicContact CG-CG 4.44Å; K411-L415 VanDerWaalsContact O-CG 3.31Å; K411-L415 WeakPolarHBondContact O-CG 3.4Å; K411-L415 PolarHBondContact O-N 3.44Å
412L97.2Very high96.4Very high61 Ų6172.3 Ų72.332%0.31938%0.376SS..Hα-helixtrans-65.7-34.4-179.5-70.6178.9000112.3Y397 P399 I408 G409 E410 L415 A416Y397-L412 HydrophobicContact CD1-CD1 4.2Å; Y397-L412 HydrophobicContact CE1-CD1 4.39Å; P399-L412 HydrophobicContact CG-CD1 3.74Å; I408-L412 HydrophobicContact CG2-CD1 4.11Å; I408-L412 HydrophobicContact CG2-CG 4.37Å; I408-L412 WeakPolarHBondContact O-CG 3.24Å; I408-L412 PolarHBondContact O-N 3.29Å; G409-L412 PolarHBondContact O-N 3.03Å; E410-L412 PolarHBondContact O-N 3.45Å; L412-L415 HydrophobicContact CD2-CD1 4.32Å; L412-L415 PolarHBondContact O-N 3.3Å; L412-A416 WeakPolarHBondContact O-CB 3.46Å; L412-A416 PolarHBondContact O-N 2.91Å
413A97Very high96.2Very high62 Ų6272.1 Ų72.151%0.51239%0.392SS..Hα-helixtrans-65.1-45.1173.700000111.5G409 E410 K411 L415 A416 E417G409-A413 PolarHBondContact O-N 3.33Å; E410-A413 PolarHBondContact O-N 3.19Å; K411-A413 VanDerWaalsContact C-N 3.31Å; K411-A413 PolarHBondContact O-N 2.91Å; A413-L415 PolarHBondContact O-N 3.19Å; A413-A416 PolarHBondContact O-N 3.14Å; A413-E417 PolarHBondContact O-N 3.12Å
414W97.4Very high96Very high101 Ų10174 Ų7438%0.38339%0.39SS..Hα-helixtrans-60.7-42.7174.6176.577.4000112.3N378 E410 K411 E417 Q418N378-W414 HydrophobicContact CB-CH2 3.76Å; E410-W414 PolarHBondContact O-N 2.79Å; K411-W414 PolarHBondContact O-N 3.12Å; W414-E417 WeakPolarHBondContact O-CB 3.28Å; W414-E417 PolarHBondContact O-N 3.41Å; W414-Q418 HydrophobicContact CD2-CG 4.22Å; W414-Q418 HydrophobicContact CE3-CG 4.42Å; W414-Q418 HydrophobicContact CH2-CG 4.03Å; W414-Q418 HydrophobicContact CZ2-CG 3.8Å; W414-Q418 HydrophobicContact CZ3-CG 4.35Å; W414-Q418 WeakPolarHBondContact O-CG 3.48Å; W414-Q418 PolarHBondContact O-N 3.38Å
415L96.6Very high95.7Very high19 Ų1974.3 Ų74.310%0.09939%0.387CS..Hα-helixtrans-62.8-42.1175.8-68.6176.6000112.2Y380 K411 L412 A413 E417 Q418 D419Y380-L415 HydrophobicContact CD1-CD2 3.5Å; Y380-L415 HydrophobicContact CD2-CD1 4.46Å; Y380-L415 HydrophobicContact CD2-CD2 3.69Å; Y380-L415 HydrophobicContact CE1-CB 4.05Å; Y380-L415 HydrophobicContact CE1-CD2 3.66Å; Y380-L415 HydrophobicContact CE1-CG 4.4Å; Y380-L415 HydrophobicContact CE2-CB 4.47Å; Y380-L415 HydrophobicContact CE2-CD1 4.11Å; Y380-L415 HydrophobicContact CE2-CD2 3.85Å; Y380-L415 HydrophobicContact CE2-CG 4.38Å; Y380-L415 HydrophobicContact CG-CD2 3.51Å; K411-L415 HydrophobicContact CG-CD1 4.22Å; K411-L415 HydrophobicContact CG-CG 4.44Å; K411-L415 VanDerWaalsContact O-CG 3.31Å; K411-L415 WeakPolarHBondContact O-CG 3.4Å; K411-L415 PolarHBondContact O-N 3.44Å; L412-L415 HydrophobicContact CD2-CD1 4.32Å; L412-L415 PolarHBondContact O-N 3.3Å; A413-L415 PolarHBondContact O-N 3.19Å; L415-E417 VanDerWaalsContact C-N 3.27Å; L415-E417 PolarHBondContact O-N 3.44Å; L415-Q418 WeakPolarHBondContact O-CB 3.46Å; L415-Q418 PolarHBondContact O-N 3.2Å; L415-Q418 VanDerWaalsContact O-N 3.1Å; L415-D419 PolarHBondContact O-N 3.05Å
416A95.1Very high95.5Very high39 Ų3977 Ų7732%0.32240%0.398SS..Hα-helixtrans-62.2-35.2176.100000112.3L412 A413 D419 Q420L412-A416 WeakPolarHBondContact O-CB 3.46Å; L412-A416 PolarHBondContact O-N 2.91Å; A413-A416 PolarHBondContact O-N 3.14Å; A416-D419 PolarHBondContact O-N 3.05Å; A416-Q420 VanDerWaalsContact O-CG 3.28Å; A416-Q420 WeakPolarHBondContact O-CG 3.49Å; A416-Q420 PolarHBondContact O-N 2.82Å
417E96.7Very high95.2Very high100 Ų10079.6 Ų79.647%0.46740%0.403SS..Hα-helixtrans-66-42.3171.8-177-177.6-171.300111.7A413 W414 L415 D419 Q420 N421A413-E417 PolarHBondContact O-N 3.12Å; W414-E417 WeakPolarHBondContact O-CB 3.28Å; W414-E417 PolarHBondContact O-N 3.41Å; L415-E417 VanDerWaalsContact C-N 3.27Å; L415-E417 PolarHBondContact O-N 3.44Å; E417-D419 VanDerWaalsContact C-N 3.3Å; E417-D419 PolarHBondContact O-N 3.11Å; E417-Q420 PolarHBondContact O-N 2.76Å; E417-N421 WeakPolarHBondContact O-CB 3.17Å; E417-N421 PolarHBondContact O-N 3.24Å; E417-N421 PolarHBondContact O-ND2 3.25Å
418Q96Very high94.1Very high55 Ų5587.1 Ų87.126%0.25743%0.427SS..Hα-helixtrans-59.7-42.6173.2-63-54.5-71.500111.4Y380 A382 W414 L415 Q420 N421 S422Y380-Q418 HydrophobicContact CD1-CB 4.38Å; Y380-Q418 HydrophobicContact CE1-CB 4.34Å; A382-Q418 HydrophobicContact CB-CB 4.1Å; W414-Q418 HydrophobicContact CD2-CG 4.22Å; W414-Q418 HydrophobicContact CE3-CG 4.42Å; W414-Q418 HydrophobicContact CH2-CG 4.03Å; W414-Q418 HydrophobicContact CZ2-CG 3.8Å; W414-Q418 HydrophobicContact CZ3-CG 4.35Å; W414-Q418 WeakPolarHBondContact O-CG 3.48Å; W414-Q418 PolarHBondContact O-N 3.38Å; L415-Q418 WeakPolarHBondContact O-CB 3.46Å; L415-Q418 PolarHBondContact O-N 3.2Å; L415-Q418 VanDerWaalsContact O-N 3.1Å; Q418-Q420 VanDerWaalsContact C-N 3.34Å; Q418-Q420 PolarHBondContact O-N 3.12Å; Q418-N421 PolarHBondContact O-N 2.78Å; Q418-S422 WeakPolarHBondContact O-CB 3.44Å; Q418-S422 PolarHBondContact O-N 3.33Å
419D95Very high93.9Very high39 Ų3989 Ų8921%0.20944%0.436CS..Hα-helixtrans-62.4-42.3177.1-67.7-33.6000111.6Y380 A382 G383 L415 A416 E417 S422 K425Y380-D419 WeakPolarHBondContact CE1-OD1 3.29Å; Y380-D419 VanDerWaalsContact OH-CG 3.27Å; Y380-D419 PolarHBondContact OH-OD1 3.29Å; Y380-D419 PolarHBondContact OH-OD2 2.78Å; A382-D419 WeakPolarHBondContact CA-OD1 3.25Å; G383-D419 PolarHBondContact N-OD1 3.36Å; L415-D419 PolarHBondContact O-N 3.05Å; A416-D419 PolarHBondContact O-N 3.05Å; E417-D419 VanDerWaalsContact C-N 3.3Å; E417-D419 PolarHBondContact O-N 3.11Å; D419-S422 PolarHBondContact O-N 3.32Å; D419-K425 PolarHBondContact O-NZ 2.99Å
420Q93.4Very high93.7Very high142 Ų14292.5 Ų92.566%0.66445%0.447SS*.Hα-helixtrans-62.7-42.4176.5-74.6171.516.900112.2A416 E417 Q418 K425A416-Q420 VanDerWaalsContact O-CG 3.28Å; A416-Q420 WeakPolarHBondContact O-CG 3.49Å; A416-Q420 PolarHBondContact O-N 2.82Å; E417-Q420 PolarHBondContact O-N 2.76Å; Q418-Q420 VanDerWaalsContact C-N 3.34Å; Q418-Q420 PolarHBondContact O-N 3.12Å; Q420-K425 VanDerWaalsContact C-NZ 3.32Å; Q420-K425 PolarHBondContact O-NZ 3.3Å
421N94.2Very high93.5Very high114 Ų11489.9 Ų89.961%0.6144%0.436SS*.Hα-helixtrans-82.1-10.9-178.8-68.1-32.5000114E417 Q418E417-N421 WeakPolarHBondContact O-CB 3.17Å; E417-N421 PolarHBondContact O-N 3.24Å; E417-N421 PolarHBondContact O-ND2 3.25Å; Q418-N421 PolarHBondContact O-N 2.78Å
422S93.8Very high93.3Very high13 Ų1387.4 Ų87.49%0.09143%0.427CS..  trans-63131.8-179.8-174.80000111.6A382 Q418 D419 I424 K425A382-S422 WeakPolarHBondContact O-CB 3.43Å; A382-S422 PolarHBondContact O-OG 3.4Å; Q418-S422 WeakPolarHBondContact O-CB 3.44Å; Q418-S422 PolarHBondContact O-N 3.33Å; D419-S422 PolarHBondContact O-N 3.32Å; S422-I424 PolarHBondContact O-N 2.94Å; S422-I424 PolarHBondContact OG-N 3.12Å; S422-I424 PolarHBondContact OG-O 3.3Å; S422-I424 VanDerWaalsContact OG-O 3.08Å; S422-K425 WeakPolarHBondContact O-CE 3.5Å
423P93.1Very high93Very high129 Ų12989 Ų8984%0.83843%0.434SS*.SBendtrans-70.5-18.117229.5-34.2000112.4
424I91.5Very high92.7Very high89 Ų8990.8 Ų90.846%0.45643%0.429SS..  trans-96.9123177.8-58.1174.3000107.9G383 S422G383-I424 WeakPolarHBondContact CA-O 3.17Å; S422-I424 PolarHBondContact O-N 2.94Å; S422-I424 PolarHBondContact OG-N 3.12Å; S422-I424 PolarHBondContact OG-O 3.3Å; S422-I424 VanDerWaalsContact OG-O 3.08Å
425K91.9Very high92.4Very high91 Ų9190.1 Ų90.140%0.39643%0.432SS..  trans-122.6120.8173.7-56.7-65.1-176.4177.70108.7D419 Q420 S422D419-K425 PolarHBondContact O-NZ 2.99Å; Q420-K425 VanDerWaalsContact C-NZ 3.32Å; Q420-K425 PolarHBondContact O-NZ 3.3Å; S422-K425 WeakPolarHBondContact O-CE 3.5Å
426R92.6Very high92.1Very high57 Ų5795.5 Ų95.522%0.21546%0.457CS..SBendtrans-61.6-48-178.6174.958.766.41774.8112.4E369 G383 E384 V385E369-R426 PolarHBondContact O-NH2 3.39Å; E369-R426 IonicContact OE2-NH1 2.78Å; E369-R426 PolarHBondContact OE2-NH1 2.99Å; G383-R426 PolarHBondContact O-N 3.06Å; G383-R426 VanDerWaalsContact O-N 3.08Å; E384-R426 WeakPolarHBondContact OE1-CG 3.43Å; E384-R426 IonicContact OE1-CZ 2.8Å; E384-R426 IonicContact OE1-NE 3.73Å; E384-R426 PolarHBondContact OE1-NE 3.23Å; E384-R426 IonicContact OE1-NH2 3.34Å; E384-R426 PolarHBondContact OE1-NH2 3.15Å; E384-R426 IonicContact OE2-CZ 3.24Å; E384-R426 IonicContact OE2-NE 2.77Å; E384-R426 IonicContact OE2-NH2 3.02Å; E384-R426 PolarHBondContact OE2-NH2 3.4Å; V385-R426 HydrophobicContact CB-CB 4.11Å; V385-R426 HydrophobicContact CB-CG 4.14Å; V385-R426 HydrophobicContact CG2-CB 4.09Å
427Y89.3Confident91.8Very high69 Ų69100.3 Ų100.327%0.27147%0.469SS..  trans-113.9133.8173.3-51-45.1000108.2V385 F387 P389 A392V385-Y427 HydrophobicContact CB-CD2 3.8Å; V385-Y427 HydrophobicContact CB-CE2 3.61Å; V385-Y427 HydrophobicContact CG1-CD2 3.74Å; V385-Y427 HydrophobicContact CG1-CE2 3.38Å; V385-Y427 HydrophobicContact CG2-CD2 4.07Å; V385-Y427 HydrophobicContact CG2-CE2 4.39Å; F387-Y427 VanDerWaalsContact O-CE2 3.23Å; F387-Y427 WeakPolarHBondContact O-CE2 3.06Å; F387-Y427 PolarHBondContact O-OH 3.04Å; P389-Y427 HydrophobicContact CG-CD1 4.19Å; P389-Y427 HydrophobicContact CG-CE1 3.8Å; P389-Y427 HydrophobicContact CG-CE2 4.28Å; A392-Y427 HydrophobicContact CB-CD2 3.74Å; A392-Y427 HydrophobicContact CB-CE2 4.05Å
428R74.6Confident91.4Very high305 Ų305100.3 Ų100.3100%1.15147%0.469SS*.  trans-100.20178-75.2-172.7179.8-1790.1111.1

Retrieved 428 of 428 residues in 2234.8 ms (Link to these results)

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