A0AA82N7Z9_SCHMA Loading...

Non-specific serine/threonine protein kinase AlphaSync

AlphaFold DB , UniProt , Accession A0AA82N7Z9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 747 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
1M65.9Low86.2Confident73 Ų7360.2 Ų60.236%0.3629%0.285SS..  0139.70-143.5178.8127.300107.2E5 I6 I31 N37 I40M1-E5 VanDerWaalsContact CE-C 3.47Å; M1-E5 HydrophobicContact CE-CB 3.7Å; M1-E5 HydrophobicContact CE-CG 3.65Å; M1-E5 HydrophobicContact CG-CB 4.13Å; M1-E5 VanDerWaalsContact CG-CD 3.47Å; M1-E5 HydrophobicContact CG-CG 4.2Å; M1-E5 WeakPolarHBondContact CG-OE2 3.46Å; M1-I6 HydrophobicContact CE-CB 4.05Å; M1-I6 HydrophobicContact CE-CG1 3.37Å; M1-I6 VanDerWaalsContact CE-N 3.3Å; M1-I6 HydrophobicContact SD-CG1 4.09Å; M1-I31 HydrophobicContact CE-CD1 3.54Å; M1-I31 HydrophobicContact CE-CG1 4.27Å; M1-I31 HydrophobicContact CE-CG2 4.14Å; M1-I31 HydrophobicContact SD-CB 4.27Å; M1-I31 HydrophobicContact SD-CD1 3.42Å; M1-I31 WeakPolarHBondContact SD-CD1 3.34Å; M1-I31 HydrophobicContact SD-CG1 3.54Å; M1-I31 VanDerWaalsContact SD-CG1 3.54Å; M1-I31 HydrophobicContact SD-CG2 3.7Å; M1-N37 WeakPolarHBondContact CB-OD1 3.49Å; M1-I40 WeakPolarHBondContact O-CD1 3.4Å
2D81.7Confident86.5Confident88 Ų8862 Ų6247%0.47130%0.298SS..  trans-85.5153.2177.7-177.529.7000111C4 E5 I6D2-C4 PolarHBondContact O-N 3.19Å; D2-C4 VanDerWaalsContact O-N 3.13Å; D2-C4 PolarHBondContact OD2-SG 3.36Å; D2-E5 WeakPolarHBondContact O-CB 3.47Å; D2-E5 PolarHBondContact O-N 3.17Å; D2-I6 PolarHBondContact O-N 3.45Å
3Q84.4Confident86.8Confident56 Ų5657.2 Ų57.226%0.26228%0.275SS..Hα-helixtrans-52.4-34.3176.667-175.8-34.200112.2R7 I40 C44 V57Q3-R7 WeakPolarHBondContact O-CB 3.05Å; Q3-R7 PolarHBondContact O-N 3.43Å; Q3-I40 HydrophobicContact CB-CG2 3.94Å; Q3-C44 PolarHBondContact OE1-SG 3.15Å; Q3-V57 HydrophobicContact CB-CG1 4.18Å
4C86.3Confident86.9Confident57 Ų5756.4 Ų56.439%0.38528%0.275SS..Hα-helixtrans-67.3-36.1179.6-58.40000112.1D2 R7 R8D2-C4 PolarHBondContact O-N 3.19Å; D2-C4 VanDerWaalsContact O-N 3.13Å; D2-C4 PolarHBondContact OD2-SG 3.36Å; C4-R7 PolarHBondContact O-N 3.41Å; C4-R8 WeakPolarHBondContact O-CB 2.93Å; C4-R8 VanDerWaalsContact O-CG 3.25Å; C4-R8 WeakPolarHBondContact O-CG 3.21Å; C4-R8 PolarHBondContact O-N 3.44Å
5E87.7Confident86.9Confident91 Ų9158.4 Ų58.443%0.42530%0.304SS..Hα-helixtrans-72.4-39.3-179.2-162.9-171.8164.900110.9M1 D2 R7 L9M1-E5 VanDerWaalsContact CE-C 3.47Å; M1-E5 HydrophobicContact CE-CB 3.7Å; M1-E5 HydrophobicContact CE-CG 3.65Å; M1-E5 HydrophobicContact CG-CB 4.13Å; M1-E5 VanDerWaalsContact CG-CD 3.47Å; M1-E5 HydrophobicContact CG-CG 4.2Å; M1-E5 WeakPolarHBondContact CG-OE2 3.46Å; D2-E5 WeakPolarHBondContact O-CB 3.47Å; D2-E5 PolarHBondContact O-N 3.17Å; E5-R7 VanDerWaalsContact C-N 3.35Å; E5-L9 WeakPolarHBondContact O-CB 3.14Å; E5-L9 PolarHBondContact O-N 3.41Å
6I88.5Confident86.9Confident0 Ų055.8 Ų55.80%029%0.292CS..Hα-helixtrans-64.1-45174.9-55.3175.8000109.3M1 D2 L9 V10 L28 I31 N37 I41 V57M1-I6 HydrophobicContact CE-CB 4.05Å; M1-I6 HydrophobicContact CE-CG1 3.37Å; M1-I6 VanDerWaalsContact CE-N 3.3Å; M1-I6 HydrophobicContact SD-CG1 4.09Å; D2-I6 PolarHBondContact O-N 3.45Å; I6-L9 PolarHBondContact O-N 3.32Å; I6-V10 WeakPolarHBondContact O-CG2 3.25Å; I6-V10 PolarHBondContact O-N 3.39Å; I6-V10 VanDerWaalsContact O-N 3.16Å; I6-L28 HydrophobicContact CG2-CD1 4.44Å; I6-I31 HydrophobicContact CD1-CG2 4.37Å; I6-I31 HydrophobicContact CG1-CG2 4.16Å; I6-N37 HydrophobicContact CD1-CB 4.21Å; I6-I41 HydrophobicContact CD1-CD1 4.15Å; I6-I41 HydrophobicContact CD1-CG1 3.97Å; I6-I41 HydrophobicContact CG2-CD1 4.22Å; I6-I41 HydrophobicContact CG2-CG1 4.44Å; I6-V57 HydrophobicContact CB-CG2 4.49Å; I6-V57 HydrophobicContact CG2-CG2 3.94Å
7R90.7Very high86.7Confident52 Ų5257.4 Ų57.420%0.19631%0.305CS..Hα-helixtrans-60-51.3177.5-173.6174.7173.9121.9-2.8111.9Q3 C4 E5 L9 V10 D11 R55 V56 V57 F61Q3-R7 WeakPolarHBondContact O-CB 3.05Å; Q3-R7 PolarHBondContact O-N 3.43Å; C4-R7 PolarHBondContact O-N 3.41Å; E5-R7 VanDerWaalsContact C-N 3.35Å; R7-L9 VanDerWaalsContact C-N 3.27Å; R7-L9 PolarHBondContact O-N 2.88Å; R7-V10 PolarHBondContact O-N 3.42Å; R7-D11 IonicContact NE-OD2 3.8Å; R7-D11 PolarHBondContact O-N 3.37Å; R7-R55 VanDerWaalsContact NH1-CA 3.31Å; R7-R55 PolarHBondContact NH1-O 3.45Å; R7-V56 VanDerWaalsContact NH1-N 3.18Å; R7-V56 PolarHBondContact NH1-O 3Å; R7-V57 HydrophobicContact CB-CB 4.13Å; R7-F61 HydrophobicContact CG-CE1 4.03Å; R7-F61 HydrophobicContact CG-CZ 4.09Å
8R90Very high86.2Confident174 Ų17458.9 Ų58.966%0.65731%0.309SS*.Hα-helixtrans-55.9-43.1177.8-76.7174.9-174.7175.82.4111.5C4 V10 D11 D12C4-R8 WeakPolarHBondContact O-CB 2.93Å; C4-R8 VanDerWaalsContact O-CG 3.25Å; C4-R8 WeakPolarHBondContact O-CG 3.21Å; C4-R8 PolarHBondContact O-N 3.44Å; R8-V10 VanDerWaalsContact C-N 3.3Å; R8-V10 PolarHBondContact O-N 3.43Å; R8-D11 PolarHBondContact O-N 2.89Å; R8-D12 VanDerWaalsContact O-CB 3.3Å; R8-D12 WeakPolarHBondContact O-CB 3.39Å; R8-D12 PolarHBondContact O-N 2.93Å
9L91.3Very high85.8Confident7 Ų767.5 Ų67.54%0.03734%0.336CS..Hα-helixtrans-61.6-37.2177.7-177.763.8000113E5 I6 R7 L13 N24 R27 L28 I31E5-L9 WeakPolarHBondContact O-CB 3.14Å; E5-L9 PolarHBondContact O-N 3.41Å; I6-L9 PolarHBondContact O-N 3.32Å; R7-L9 VanDerWaalsContact C-N 3.27Å; R7-L9 PolarHBondContact O-N 2.88Å; L9-L13 VanDerWaalsContact O-CB 3.32Å; L9-L13 WeakPolarHBondContact O-CB 3.46Å; L9-L13 PolarHBondContact O-N 3.4Å; L9-N24 HydrophobicContact CD1-CB 3.91Å; L9-R27 HydrophobicContact CD1-CB 4.42Å; L9-R27 HydrophobicContact CD2-CB 4.11Å; L9-L28 HydrophobicContact CD2-CB 3.86Å; L9-L28 HydrophobicContact CD2-CD1 4.26Å; L9-L28 HydrophobicContact CG-CB 4.38Å; L9-I31 HydrophobicContact CD2-CD1 3.34Å
10V91.2Very high85.7Confident1 Ų169 Ų691%0.00634%0.342CS..Hα-helixtrans-72-42.6176.1175.70000111.1I6 R7 R8 L13 V14 L28 F61 I62 N65I6-V10 WeakPolarHBondContact O-CG2 3.25Å; I6-V10 PolarHBondContact O-N 3.39Å; I6-V10 VanDerWaalsContact O-N 3.16Å; R7-V10 PolarHBondContact O-N 3.42Å; R8-V10 VanDerWaalsContact C-N 3.3Å; R8-V10 PolarHBondContact O-N 3.43Å; V10-L13 WeakPolarHBondContact O-CB 3.45Å; V10-L13 PolarHBondContact O-N 3.33Å; V10-V14 PolarHBondContact O-N 3.28Å; V10-L28 HydrophobicContact CG2-CD1 4Å; V10-L28 HydrophobicContact CG2-CD2 3.89Å; V10-F61 HydrophobicContact CB-CE1 3.71Å; V10-F61 HydrophobicContact CB-CZ 4.33Å; V10-F61 HydrophobicContact CG1-CD1 4.09Å; V10-F61 HydrophobicContact CG1-CE1 3.45Å; V10-F61 VanDerWaalsContact CG1-CE1 3.45Å; V10-F61 HydrophobicContact CG1-CZ 3.94Å; V10-F61 HydrophobicContact CG2-CE1 4.39Å; V10-I62 HydrophobicContact CG2-CG1 4.27Å; V10-N65 HydrophobicContact CG1-CB 3.68Å
11D90.7Very high85.8Confident63 Ų6367 Ų6734%0.33733%0.331SS..Hα-helixtrans-60.2-45.8174.2-73.7-37.2000110.9R7 R8 L13 V14 A15 F61R7-D11 IonicContact NE-OD2 3.8Å; R7-D11 PolarHBondContact O-N 3.37Å; R8-D11 PolarHBondContact O-N 2.89Å; D11-L13 VanDerWaalsContact C-N 3.29Å; D11-L13 PolarHBondContact O-N 3.42Å; D11-V14 WeakPolarHBondContact O-CB 3.4Å; D11-V14 PolarHBondContact O-N 3.23Å; D11-V14 VanDerWaalsContact O-N 3.16Å; D11-A15 PolarHBondContact O-N 3.1Å; D11-A15 VanDerWaalsContact O-N 3.11Å; D11-F61 WeakPolarHBondContact OD1-CZ 3.44Å
12D89.7Confident86.7Confident82 Ų8269 Ų6944%0.43934%0.338SS..Hα-helixtrans-59.8-40.1176.3-71.5-18.9000111R8 V14 A15 C16R8-D12 VanDerWaalsContact O-CB 3.3Å; R8-D12 WeakPolarHBondContact O-CB 3.39Å; R8-D12 PolarHBondContact O-N 2.93Å; D12-V14 PolarHBondContact O-N 3.03Å; D12-A15 PolarHBondContact O-N 2.98Å; D12-C16 WeakPolarHBondContact O-CA 3.44Å; D12-C16 WeakPolarHBondContact O-CB 3.41Å; D12-C16 PolarHBondContact O-N 2.83Å; D12-C16 PolarHBondContact O-SG 3.27Å
13L90.2Very high87Confident0 Ų069.8 Ų69.80%034%0.342CS..Hα-helixtrans-61.4-32.6180-171.3153.8000112L9 V10 D11 R21 N24 V25 L28 I66 V69 Y94L9-L13 VanDerWaalsContact O-CB 3.32Å; L9-L13 WeakPolarHBondContact O-CB 3.46Å; L9-L13 PolarHBondContact O-N 3.4Å; V10-L13 WeakPolarHBondContact O-CB 3.45Å; V10-L13 PolarHBondContact O-N 3.33Å; D11-L13 VanDerWaalsContact C-N 3.29Å; D11-L13 PolarHBondContact O-N 3.42Å; L13-R21 HydrophobicContact CD2-CG 4.5Å; L13-R21 HydrophobicContact CG-CG 4.2Å; L13-R21 PolarHBondContact O-NE 3.01Å; L13-R21 VanDerWaalsContact O-NE 3.14Å; L13-N24 HydrophobicContact CB-CB 4.47Å; L13-V25 HydrophobicContact CD1-CB 3.89Å; L13-V25 HydrophobicContact CD1-CG2 4.23Å; L13-L28 HydrophobicContact CD1-CD2 4.03Å; L13-I66 HydrophobicContact CD1-CD1 4.36Å; L13-I66 HydrophobicContact CD2-CD1 4.3Å; L13-V69 HydrophobicContact CD2-CB 3.81Å; L13-V69 HydrophobicContact CD2-CG1 3.67Å; L13-V69 HydrophobicContact CD2-CG2 3.34Å; L13-Y94 HydrophobicContact CD2-CE1 4.15Å
14V87.9Confident87.4Confident45 Ų4568.1 Ų68.127%0.27334%0.335SS..Hα-helixtrans-75.3-42.7174.2-178.50000111.8V10 D11 D12 N65 V69V10-V14 PolarHBondContact O-N 3.28Å; D11-V14 WeakPolarHBondContact O-CB 3.4Å; D11-V14 PolarHBondContact O-N 3.23Å; D11-V14 VanDerWaalsContact O-N 3.16Å; D12-V14 PolarHBondContact O-N 3.03Å; V14-N65 HydrophobicContact CG2-CB 3.76Å; V14-N65 WeakPolarHBondContact CG2-OD1 3.29Å; V14-V69 HydrophobicContact CB-CG2 4.34Å; V14-V69 HydrophobicContact CG2-CG2 3.8Å
15A87.8Confident87.7Confident87 Ų8765.5 Ų65.572%0.71932%0.317SS*.Hα-helixtrans-87.3-23.5-172.900000115D11 D12D11-A15 PolarHBondContact O-N 3.1Å; D11-A15 VanDerWaalsContact O-N 3.11Å; D12-A15 PolarHBondContact O-N 2.98Å
16C86.4Confident87.8Confident17 Ų1765.5 Ų65.512%0.11532%0.316CS..SBendtrans-74.3165.8-170.167.70000113.9D12 E20 R21D12-C16 WeakPolarHBondContact O-CA 3.44Å; D12-C16 WeakPolarHBondContact O-CB 3.41Å; D12-C16 PolarHBondContact O-N 2.83Å; D12-C16 PolarHBondContact O-SG 3.27Å; C16-E20 HydrophobicContact CB-CB 3.8Å; C16-R21 PolarHBondContact O-NH2 3.1Å; C16-R21 WeakPolarHBondContact SG-CA 3.31Å; C16-R21 VanDerWaalsContact SG-CB 3.58Å; C16-R21 PolarHBondContact SG-N 3.47Å; C16-R21 VanDerWaalsContact SG-N 3.4Å
17T82.9Confident88Confident82 Ų8271.8 Ų71.850%0.50334%0.34SS..  trans-67.9158.5173.966.20000111.4R19 E20 R21T17-R19 PolarHBondContact O-N 3.45Å; T17-R19 VanDerWaalsContact O-N 3.1Å; T17-E20 WeakPolarHBondContact CB-OE2 3.29Å; T17-E20 PolarHBondContact N-OE2 3.17Å; T17-E20 PolarHBondContact O-N 2.74Å; T17-E20 VanDerWaalsContact O-N 3.08Å; T17-E20 VanDerWaalsContact OG1-CD 3.24Å; T17-E20 WeakPolarHBondContact OG1-CG 3.5Å; T17-E20 PolarHBondContact OG1-OE2 2.86Å; T17-R21 WeakPolarHBondContact O-CB 3.37Å; T17-R21 PolarHBondContact O-N 2.94Å
18K77.9Confident88.1Confident86 Ų8669.3 Ų69.337%0.37433%0.33SS..Hα-helixtrans-53.1-35.9179.1-171.9170.2-173.2160.80113.8E73 Y77K18-E73 IonicContact NZ-OE2 2.85Å; K18-Y77 VanDerWaalsContact CE-OH 3.26Å; K18-Y77 WeakPolarHBondContact CE-OH 3.01Å; K18-Y77 PolarHBondContact NZ-OH 3.45Å
19R78.8Confident88.3Confident221 Ų22161.5 Ų61.583%0.83430%0.302SS*.Hα-helixtrans-70-42.1179.8-171.1177.6-177.61760.2111.9T17T17-R19 PolarHBondContact O-N 3.45Å; T17-R19 VanDerWaalsContact O-N 3.1Å
20E85.1Confident88.4Confident98 Ų9865.5 Ų65.546%0.45832%0.323SS..Hα-helixtrans-70.6-37177.8-69.9161.6155.900111.3C16 T17 K22 N23 N24C16-E20 HydrophobicContact CB-CB 3.8Å; T17-E20 WeakPolarHBondContact CB-OE2 3.29Å; T17-E20 PolarHBondContact N-OE2 3.17Å; T17-E20 PolarHBondContact O-N 2.74Å; T17-E20 VanDerWaalsContact O-N 3.08Å; T17-E20 VanDerWaalsContact OG1-CD 3.24Å; T17-E20 WeakPolarHBondContact OG1-CG 3.5Å; T17-E20 PolarHBondContact OG1-OE2 2.86Å; E20-K22 VanDerWaalsContact C-N 3.3Å; E20-K22 PolarHBondContact O-N 3.19Å; E20-N23 PolarHBondContact O-N 2.77Å; E20-N24 PolarHBondContact O-N 3.17Å
21R87.4Confident88.4Confident26 Ų2666.4 Ų66.410%0.09833%0.328CS..Hα-helixtrans-57.4-41.5-179.2-164.8179.9-73.1141.55113L13 C16 T17 N23 N24 V25 V69 E73 Y94L13-R21 HydrophobicContact CD2-CG 4.5Å; L13-R21 HydrophobicContact CG-CG 4.2Å; L13-R21 PolarHBondContact O-NE 3.01Å; L13-R21 VanDerWaalsContact O-NE 3.14Å; C16-R21 PolarHBondContact O-NH2 3.1Å; C16-R21 WeakPolarHBondContact SG-CA 3.31Å; C16-R21 VanDerWaalsContact SG-CB 3.58Å; C16-R21 PolarHBondContact SG-N 3.47Å; C16-R21 VanDerWaalsContact SG-N 3.4Å; T17-R21 WeakPolarHBondContact O-CB 3.37Å; T17-R21 PolarHBondContact O-N 2.94Å; R21-N23 VanDerWaalsContact C-N 3.32Å; R21-N23 PolarHBondContact O-N 3.28Å; R21-N24 PolarHBondContact O-N 2.94Å; R21-V25 WeakPolarHBondContact O-CG1 3.11Å; R21-V25 PolarHBondContact O-N 3.45Å; R21-V69 HydrophobicContact CG-CG1 4.37Å; R21-E73 WeakPolarHBondContact CD-OE1 3.49Å; R21-E73 IonicContact CZ-OE1 3.62Å; R21-E73 IonicContact NE-OE1 3.79Å; R21-E73 IonicContact NH1-OE1 3.95Å; R21-E73 PolarHBondContact NH1-OE1 3.28Å; R21-Y94 WeakPolarHBondContact CD-OH 3.37Å; R21-Y94 WeakPolarHBondContact CG-OH 3.36Å
22K84.9Confident88.5Confident116 Ų11663.4 Ų63.450%0.50431%0.312SS..Hα-helixtrans-58.2-44.2174.8-173.8175.8-179.9175.80111.6E20 V25 F26E20-K22 VanDerWaalsContact C-N 3.3Å; E20-K22 PolarHBondContact O-N 3.19Å; K22-V25 VanDerWaalsContact O-CG1 3.29Å; K22-V25 WeakPolarHBondContact O-CG1 3.37Å; K22-F26 HydrophobicContact CG-CD2 4.2Å; K22-F26 HydrophobicContact CG-CE2 4.03Å; K22-F26 WeakPolarHBondContact O-CD2 3.38Å; K22-F26 PolarHBondContact O-N 3.02Å
23N88Confident88.5Confident104 Ų10464.8 Ų64.856%0.55632%0.315SS*.Hα-helixtrans-69.2-41.7177.7-69.9-16.5000111.2E20 R21 F26 R27E20-N23 PolarHBondContact O-N 2.77Å; R21-N23 VanDerWaalsContact C-N 3.32Å; R21-N23 PolarHBondContact O-N 3.28Å; N23-F26 PolarHBondContact O-N 3.12Å; N23-R27 VanDerWaalsContact O-CG 3.32Å; N23-R27 WeakPolarHBondContact O-CG 3.44Å; N23-R27 PolarHBondContact O-N 3.26Å
24N91.7Very high88.6Confident21 Ų2167.7 Ų67.711%0.11233%0.333CS..Hα-helixtrans-67.1-37.9-178.7-72-13.4000112.6L9 L13 E20 R21 R27 L28L9-N24 HydrophobicContact CD1-CB 3.91Å; L13-N24 HydrophobicContact CB-CB 4.47Å; E20-N24 PolarHBondContact O-N 3.17Å; R21-N24 PolarHBondContact O-N 2.94Å; N24-R27 PolarHBondContact O-N 3.38Å; N24-L28 WeakPolarHBondContact O-CB 3.46Å; N24-L28 PolarHBondContact O-N 3.28Å
25V92.2Very high88.7Confident3 Ų369.3 Ų69.32%0.01834%0.344CS..Hα-helixtrans-66.7-40.6176.473.30000111.8L13 R21 K22 L28 L29 P93 Y94 I97L13-V25 HydrophobicContact CD1-CB 3.89Å; L13-V25 HydrophobicContact CD1-CG2 4.23Å; R21-V25 WeakPolarHBondContact O-CG1 3.11Å; R21-V25 PolarHBondContact O-N 3.45Å; K22-V25 VanDerWaalsContact O-CG1 3.29Å; K22-V25 WeakPolarHBondContact O-CG1 3.37Å; V25-L28 PolarHBondContact O-N 3.35Å; V25-L29 WeakPolarHBondContact O-CB 3.48Å; V25-L29 PolarHBondContact O-N 2.88Å; V25-P93 HydrophobicContact CG1-CB 4.08Å; V25-P93 HydrophobicContact CG2-CB 3.88Å; V25-Y94 HydrophobicContact CB-CE1 3.96Å; V25-Y94 HydrophobicContact CG2-CD1 3.57Å; V25-Y94 HydrophobicContact CG2-CD2 4.45Å; V25-Y94 HydrophobicContact CG2-CE1 3.47Å; V25-Y94 VanDerWaalsContact CG2-CE1 3.47Å; V25-Y94 HydrophobicContact CG2-CE2 4.41Å; V25-Y94 HydrophobicContact CG2-CG 4.09Å; V25-I97 HydrophobicContact CG2-CD1 3.51Å
26F91.4Very high88.9Confident91 Ų9169 Ų6940%0.39933%0.333SS..Hα-helixtrans-67.3-39.3174.9-81-65.6000112K22 N23 L29 N30 P93K22-F26 HydrophobicContact CG-CD2 4.2Å; K22-F26 HydrophobicContact CG-CE2 4.03Å; K22-F26 WeakPolarHBondContact O-CD2 3.38Å; K22-F26 PolarHBondContact O-N 3.02Å; N23-F26 PolarHBondContact O-N 3.12Å; F26-L29 PolarHBondContact O-N 2.82Å; F26-N30 VanDerWaalsContact O-CG 3.27Å; F26-N30 PolarHBondContact O-N 2.83Å; F26-N30 PolarHBondContact O-ND2 3.48Å; F26-P93 HydrophobicContact CD1-CG 4.5Å; F26-P93 HydrophobicContact CE1-CB 4.41Å; F26-P93 HydrophobicContact CE1-CG 3.79Å; F26-P93 HydrophobicContact CE2-CG 4.3Å; F26-P93 HydrophobicContact CZ-CG 3.66Å
27R92.2Very high89.1Confident132 Ų13268.7 Ų68.750%0.49833%0.331SS..Hα-helixtrans-59.1-48.7172.5-74.4177.971-168.52.5110.8L9 N23 N24 L29 N30 I31L9-R27 HydrophobicContact CD1-CB 4.42Å; L9-R27 HydrophobicContact CD2-CB 4.11Å; N23-R27 VanDerWaalsContact O-CG 3.32Å; N23-R27 WeakPolarHBondContact O-CG 3.44Å; N23-R27 PolarHBondContact O-N 3.26Å; N24-R27 PolarHBondContact O-N 3.38Å; R27-L29 PolarHBondContact O-N 2.65Å; R27-N30 PolarHBondContact O-N 3.29Å; R27-I31 WeakPolarHBondContact O-CB 3.47Å; R27-I31 WeakPolarHBondContact O-CD1 3.34Å; R27-I31 VanDerWaalsContact O-CG1 3.22Å; R27-I31 WeakPolarHBondContact O-CG1 3.42Å; R27-I31 PolarHBondContact O-N 3.46Å
28L93.5Very high89.5Confident0 Ų066.7 Ų66.70%031%0.314CS..Hα-helixtrans-61.7-44.2179.3-179.859.7000111.4I6 L9 V10 L13 N24 V25 N30 I31 L32 I66 I97I6-L28 HydrophobicContact CG2-CD1 4.44Å; L9-L28 HydrophobicContact CD2-CB 3.86Å; L9-L28 HydrophobicContact CD2-CD1 4.26Å; L9-L28 HydrophobicContact CG-CB 4.38Å; V10-L28 HydrophobicContact CG2-CD1 4Å; V10-L28 HydrophobicContact CG2-CD2 3.89Å; L13-L28 HydrophobicContact CD1-CD2 4.03Å; N24-L28 WeakPolarHBondContact O-CB 3.46Å; N24-L28 PolarHBondContact O-N 3.28Å; V25-L28 PolarHBondContact O-N 3.35Å; L28-N30 PolarHBondContact O-N 2.92Å; L28-I31 WeakPolarHBondContact O-CB 3.42Å; L28-I31 PolarHBondContact O-N 2.78Å; L28-L32 HydrophobicContact CD1-CD1 4.13Å; L28-L32 HydrophobicContact CD1-CG 4.11Å; L28-L32 HydrophobicContact CG-CD1 4.06Å; L28-L32 HydrophobicContact CG-CG 4.44Å; L28-L32 VanDerWaalsContact O-CG 3.29Å; L28-L32 WeakPolarHBondContact O-CG 3.21Å; L28-L32 PolarHBondContact O-N 3.15Å; L28-I66 HydrophobicContact CD2-CD1 4.01Å; L28-I97 HydrophobicContact CB-CD1 4.33Å; L28-I97 HydrophobicContact CD2-CD1 4.03Å; L28-I97 HydrophobicContact CG-CD1 4.12Å
29L93.5Very high90Very high10 Ų1068.7 Ų68.75%0.05233%0.325CS..Hα-helixtrans-56.9-48.7175.6177.961.7000111.6V25 F26 R27 I31 L32 Q33 P93 K96 I97 I100V25-L29 WeakPolarHBondContact O-CB 3.48Å; V25-L29 PolarHBondContact O-N 2.88Å; F26-L29 PolarHBondContact O-N 2.82Å; R27-L29 PolarHBondContact O-N 2.65Å; L29-I31 VanDerWaalsContact C-N 3.33Å; L29-I31 PolarHBondContact O-N 3.39Å; L29-L32 PolarHBondContact O-N 3.24Å; L29-Q33 WeakPolarHBondContact O-CG 3.32Å; L29-Q33 PolarHBondContact O-N 3.37Å; L29-Q33 VanDerWaalsContact O-N 3.11Å; L29-P93 HydrophobicContact CD2-CB 4.46Å; L29-K96 HydrophobicContact CD1-CB 3.86Å; L29-K96 HydrophobicContact CD2-CB 4.45Å; L29-K96 HydrophobicContact CD2-CD 4.33Å; L29-I97 HydrophobicContact CB-CD1 4.29Å; L29-I97 HydrophobicContact CB-CG1 4.05Å; L29-I97 HydrophobicContact CD1-CG1 3.98Å; L29-I100 HydrophobicContact CD1-CD1 3.54Å
30N93Very high90.5Very high90 Ų9060.7 Ų60.748%0.48130%0.298SS..Hα-helixtrans-63.7-38.5178.3-69.5-13.9000111.9F26 R27 L28 Q33F26-N30 VanDerWaalsContact O-CG 3.27Å; F26-N30 PolarHBondContact O-N 2.83Å; F26-N30 PolarHBondContact O-ND2 3.48Å; R27-N30 PolarHBondContact O-N 3.29Å; L28-N30 PolarHBondContact O-N 2.92Å; N30-Q33 WeakPolarHBondContact O-CB 3.5Å; N30-Q33 PolarHBondContact O-N 2.8Å
31I91.6Very high90.8Very high21 Ų2156 Ų5611%0.10828%0.276CS..Hα-helixtrans-62.2-43.6176.4-75160.4000111M1 I6 L9 R27 L28 L29 Q33 V34 N37M1-I31 HydrophobicContact CE-CD1 3.54Å; M1-I31 HydrophobicContact CE-CG1 4.27Å; M1-I31 HydrophobicContact CE-CG2 4.14Å; M1-I31 HydrophobicContact SD-CB 4.27Å; M1-I31 HydrophobicContact SD-CD1 3.42Å; M1-I31 WeakPolarHBondContact SD-CD1 3.34Å; M1-I31 HydrophobicContact SD-CG1 3.54Å; M1-I31 VanDerWaalsContact SD-CG1 3.54Å; M1-I31 HydrophobicContact SD-CG2 3.7Å; I6-I31 HydrophobicContact CD1-CG2 4.37Å; I6-I31 HydrophobicContact CG1-CG2 4.16Å; L9-I31 HydrophobicContact CD2-CD1 3.34Å; R27-I31 WeakPolarHBondContact O-CB 3.47Å; R27-I31 WeakPolarHBondContact O-CD1 3.34Å; R27-I31 VanDerWaalsContact O-CG1 3.22Å; R27-I31 WeakPolarHBondContact O-CG1 3.42Å; R27-I31 PolarHBondContact O-N 3.46Å; L28-I31 WeakPolarHBondContact O-CB 3.42Å; L28-I31 PolarHBondContact O-N 2.78Å; L29-I31 VanDerWaalsContact C-N 3.33Å; L29-I31 PolarHBondContact O-N 3.39Å; I31-Q33 VanDerWaalsContact C-N 3.28Å; I31-Q33 PolarHBondContact O-N 3.36Å; I31-V34 WeakPolarHBondContact O-CB 3.44Å; I31-V34 PolarHBondContact O-N 3.43Å; I31-N37 HydrophobicContact CG2-CB 4.24Å; I31-N37 WeakPolarHBondContact O-CB 3.29Å; I31-N37 PolarHBondContact O-ND2 3.02Å
32L91.8Very high90.9Very high0 Ų056.2 Ų56.20%028%0.282CS..Hα-helixtrans-71.6-21.1180-68.3176.1000113.1L28 L29 V34 R38 I41 W59 I62 I97 I100L28-L32 HydrophobicContact CD1-CD1 4.13Å; L28-L32 HydrophobicContact CD1-CG 4.11Å; L28-L32 HydrophobicContact CG-CD1 4.06Å; L28-L32 HydrophobicContact CG-CG 4.44Å; L28-L32 VanDerWaalsContact O-CG 3.29Å; L28-L32 WeakPolarHBondContact O-CG 3.21Å; L28-L32 PolarHBondContact O-N 3.15Å; L29-L32 PolarHBondContact O-N 3.24Å; L32-V34 PolarHBondContact O-N 3.49Å; L32-R38 VanDerWaalsContact O-CD 3.27Å; L32-R38 WeakPolarHBondContact O-CD 3.38Å; L32-R38 VanDerWaalsContact O-CG 3.25Å; L32-R38 WeakPolarHBondContact O-CG 3.31Å; L32-R38 PolarHBondContact O-NH1 3.19Å; L32-I41 HydrophobicContact CD2-CD1 3.34Å; L32-W59 HydrophobicContact CD2-CH2 4.37Å; L32-W59 HydrophobicContact CD2-CZ3 4.06Å; L32-I62 HydrophobicContact CD2-CD1 4.3Å; L32-I97 HydrophobicContact CD1-CB 4.38Å; L32-I97 HydrophobicContact CD1-CG1 4.21Å; L32-I97 HydrophobicContact CD1-CG2 3.65Å; L32-I100 HydrophobicContact CB-CD1 4.3Å; L32-I100 HydrophobicContact CB-CG2 4.02Å
33Q90.7Very high91.1Very high111 Ų11153.6 Ų53.652%0.51928%0.278SS..Hα-helixtrans-70.3-18.1171.9-73174.3-2.800113.1L29 N30 I31 R38 I100L29-Q33 WeakPolarHBondContact O-CG 3.32Å; L29-Q33 PolarHBondContact O-N 3.37Å; L29-Q33 VanDerWaalsContact O-N 3.11Å; N30-Q33 WeakPolarHBondContact O-CB 3.5Å; N30-Q33 PolarHBondContact O-N 2.8Å; I31-Q33 VanDerWaalsContact C-N 3.28Å; I31-Q33 PolarHBondContact O-N 3.36Å; Q33-R38 PolarHBondContact O-NH1 3.44Å; Q33-I100 HydrophobicContact CG-CD1 4.2Å
34V91.6Very high91.2Very high61 Ų6148.9 Ų48.937%0.3725%0.253SS..SBendtrans-83123.4178.7-175.50000111.3I31 L32 T36 N37 R38I31-V34 WeakPolarHBondContact O-CB 3.44Å; I31-V34 PolarHBondContact O-N 3.43Å; L32-V34 PolarHBondContact O-N 3.49Å; V34-T36 VanDerWaalsContact CG1-OG1 3.32Å; V34-T36 WeakPolarHBondContact CG1-OG1 3.27Å; V34-T36 PolarHBondContact O-N 2.9Å; V34-N37 HydrophobicContact CB-CB 4.39Å; V34-N37 PolarHBondContact O-N 3.22Å; V34-R38 PolarHBondContact O-N 3.43Å
35P90.2Very high91Very high78 Ų7848.7 Ų48.751%0.50625%0.253SS..Hα-helixtrans-57.5-41.1-177.9-24.231.8000115.3N37 R38 Q39P35-N37 VanDerWaalsContact C-N 3.35Å; P35-N37 PolarHBondContact O-N 3.5Å; P35-R38 WeakPolarHBondContact O-CB 3.39Å; P35-R38 PolarHBondContact O-N 2.75Å; P35-Q39 PolarHBondContact O-N 2.86Å
36T91.5Very high90.8Very high81 Ų8150.7 Ų50.750%0.49726%0.264SS..Hα-helixtrans-64.1-39.1-178.850.10000112.1V34 R38 Q39 I40V34-T36 VanDerWaalsContact CG1-OG1 3.32Å; V34-T36 WeakPolarHBondContact CG1-OG1 3.27Å; V34-T36 PolarHBondContact O-N 2.9Å; T36-R38 VanDerWaalsContact C-N 3.34Å; T36-R38 PolarHBondContact O-N 3.1Å; T36-Q39 PolarHBondContact O-N 3.35Å; T36-I40 WeakPolarHBondContact O-CG1 3.24Å; T36-I40 PolarHBondContact O-N 3.06Å; T36-I40 VanDerWaalsContact O-N 3.09Å
37N91.2Very high90.5Very high11 Ų1151.8 Ų51.86%0.05927%0.268CS..Hα-helixtrans-65.6-38175.4-66.6-23.8000111.5M1 I6 I31 V34 P35 I40 I41M1-N37 WeakPolarHBondContact CB-OD1 3.49Å; I6-N37 HydrophobicContact CD1-CB 4.21Å; I31-N37 HydrophobicContact CG2-CB 4.24Å; I31-N37 WeakPolarHBondContact O-CB 3.29Å; I31-N37 PolarHBondContact O-ND2 3.02Å; V34-N37 HydrophobicContact CB-CB 4.39Å; V34-N37 PolarHBondContact O-N 3.22Å; P35-N37 VanDerWaalsContact C-N 3.35Å; P35-N37 PolarHBondContact O-N 3.5Å; N37-I40 PolarHBondContact O-N 3.14Å; N37-I41 VanDerWaalsContact O-CG1 3.32Å; N37-I41 WeakPolarHBondContact O-CG1 3.47Å; N37-I41 PolarHBondContact O-N 3.28Å
38R90.8Very high90.3Very high39 Ų3947.7 Ų47.715%0.14725%0.254CS..Hα-helixtrans-63.9-40.4175.2-63-165.8-66.2-874.2112.1L32 Q33 V34 P35 T36 I40 I41 S42 W59 H104L32-R38 VanDerWaalsContact O-CD 3.27Å; L32-R38 WeakPolarHBondContact O-CD 3.38Å; L32-R38 VanDerWaalsContact O-CG 3.25Å; L32-R38 WeakPolarHBondContact O-CG 3.31Å; L32-R38 PolarHBondContact O-NH1 3.19Å; Q33-R38 PolarHBondContact O-NH1 3.44Å; V34-R38 PolarHBondContact O-N 3.43Å; P35-R38 WeakPolarHBondContact O-CB 3.39Å; P35-R38 PolarHBondContact O-N 2.75Å; T36-R38 VanDerWaalsContact C-N 3.34Å; T36-R38 PolarHBondContact O-N 3.1Å; R38-I40 VanDerWaalsContact C-N 3.34Å; R38-I40 PolarHBondContact O-N 3.02Å; R38-I41 PolarHBondContact O-N 3.23Å; R38-S42 PolarHBondContact O-N 3.12Å; R38-S42 PolarHBondContact O-OG 3.35Å; R38-W59 HydrophobicContact CB-CH2 4.2Å; R38-W59 HydrophobicContact CB-CZ2 4.25Å; R38-W59 HydrophobicContact CG-CH2 4.12Å; R38-H104 WeakPolarHBondContact CD-CD2 3.46Å; R38-H104 VanDerWaalsContact CD-CG 3.44Å; R38-H104 PolarHBondContact NE-CE1 3.49Å; R38-H104 PolarHBondContact NE-NE2 3.43Å
39Q88.9Confident89.8Confident129 Ų12953.7 Ų53.760%0.60328%0.278SS*.Hα-helixtrans-60.9-43.4174.9-72.7174.8-22.100111.6P35 T36 I41 S42 S43P35-Q39 PolarHBondContact O-N 2.86Å; T36-Q39 PolarHBondContact O-N 3.35Å; Q39-I41 PolarHBondContact O-N 3.01Å; Q39-S42 PolarHBondContact O-N 2.92Å; Q39-S43 PolarHBondContact O-N 3.09Å; Q39-S43 PolarHBondContact O-OG 2.82Å
40I89.8Confident89.4Confident53 Ų5360.1 Ų60.127%0.27231%0.307SS..Hα-helixtrans-58.1-49.4174.7-66.1167.5000110.4M1 Q3 T36 N37 R38 S42 S43 C44M1-I40 WeakPolarHBondContact O-CD1 3.4Å; Q3-I40 HydrophobicContact CB-CG2 3.94Å; T36-I40 WeakPolarHBondContact O-CG1 3.24Å; T36-I40 PolarHBondContact O-N 3.06Å; T36-I40 VanDerWaalsContact O-N 3.09Å; N37-I40 PolarHBondContact O-N 3.14Å; R38-I40 VanDerWaalsContact C-N 3.34Å; R38-I40 PolarHBondContact O-N 3.02Å; I40-S42 VanDerWaalsContact C-N 3.34Å; I40-S42 PolarHBondContact O-N 3.32Å; I40-S43 PolarHBondContact O-N 2.6Å; I40-C44 WeakPolarHBondContact O-CB 3.2Å; I40-C44 PolarHBondContact O-N 3.06Å; I40-C44 PolarHBondContact O-SG 3.44Å
41I90.9Very high89Confident0 Ų059.3 Ų59.30%030%0.303CS..Hα-helixtrans-62.6-40.3-179.4-61.9161.2000111.5I6 L32 N37 R38 Q39 C44 S45 V57 W59 I62I6-I41 HydrophobicContact CD1-CD1 4.15Å; I6-I41 HydrophobicContact CD1-CG1 3.97Å; I6-I41 HydrophobicContact CG2-CD1 4.22Å; I6-I41 HydrophobicContact CG2-CG1 4.44Å; L32-I41 HydrophobicContact CD2-CD1 3.34Å; N37-I41 VanDerWaalsContact O-CG1 3.32Å; N37-I41 WeakPolarHBondContact O-CG1 3.47Å; N37-I41 PolarHBondContact O-N 3.28Å; R38-I41 PolarHBondContact O-N 3.23Å; Q39-I41 PolarHBondContact O-N 3.01Å; I41-C44 PolarHBondContact O-N 2.78Å; I41-S45 WeakPolarHBondContact O-CB 3.28Å; I41-S45 PolarHBondContact O-N 2.68Å; I41-S45 PolarHBondContact O-OG 3.29Å; I41-V57 HydrophobicContact CG1-CG1 4.15Å; I41-W59 HydrophobicContact CB-CD2 4.49Å; I41-W59 HydrophobicContact CB-CH2 4.12Å; I41-W59 HydrophobicContact CB-CZ2 3.85Å; I41-W59 HydrophobicContact CD1-CH2 4.01Å; I41-W59 HydrophobicContact CD1-CZ3 4.17Å; I41-W59 HydrophobicContact CG2-CD2 3.51Å; I41-W59 HydrophobicContact CG2-CE3 3.76Å; I41-W59 HydrophobicContact CG2-CG 4.04Å; I41-W59 HydrophobicContact CG2-CH2 4.03Å; I41-W59 HydrophobicContact CG2-CZ2 3.78Å; I41-W59 HydrophobicContact CG2-CZ3 4.01Å; I41-I62 HydrophobicContact CD1-CD1 4.05Å; I41-I62 HydrophobicContact CG2-CD1 4.04Å
42S89.7Confident88.6Confident30 Ų3064.4 Ų64.421%0.2133%0.331CS..Hα-helixtrans-60.8-52.5174.4-67.30000111R38 Q39 I40 C44 S45 D46 W59R38-S42 PolarHBondContact O-N 3.12Å; R38-S42 PolarHBondContact O-OG 3.35Å; Q39-S42 PolarHBondContact O-N 2.92Å; I40-S42 VanDerWaalsContact C-N 3.34Å; I40-S42 PolarHBondContact O-N 3.32Å; S42-C44 VanDerWaalsContact C-N 3.26Å; S42-C44 PolarHBondContact O-N 3.33Å; S42-S45 WeakPolarHBondContact O-CA 3.43Å; S42-S45 WeakPolarHBondContact O-CB 2.97Å; S42-S45 PolarHBondContact O-N 3.14Å; S42-D46 PolarHBondContact O-N 3.15Å; S42-D46 VanDerWaalsContact O-OD1 3.08Å; S42-W59 PolarHBondContact OG-NE1 3.23Å; S42-W59 VanDerWaalsContact OG-NE1 3.07Å
43S88.6Confident88.3Confident61 Ų6171.4 Ų71.443%0.42737%0.368SS..Hα-helixtrans-59.8-33.9177.6-59.70000113.6Q39 I40 K47Q39-S43 PolarHBondContact O-N 3.09Å; Q39-S43 PolarHBondContact O-OG 2.82Å; I40-S43 PolarHBondContact O-N 2.6Å; S43-K47 WeakPolarHBondContact O-CG 3.41Å; S43-K47 PolarHBondContact O-N 3.42Å
44C89.8Confident88Confident5 Ų569.1 Ų69.13%0.03436%0.359CS..Hα-helixtrans-72.6-36.1174.2-65.10000112.2Q3 I40 I41 S42 D46 K47 K48 V56 V57Q3-C44 PolarHBondContact OE1-SG 3.15Å; I40-C44 WeakPolarHBondContact O-CB 3.2Å; I40-C44 PolarHBondContact O-N 3.06Å; I40-C44 PolarHBondContact O-SG 3.44Å; I41-C44 PolarHBondContact O-N 2.78Å; S42-C44 VanDerWaalsContact C-N 3.26Å; S42-C44 PolarHBondContact O-N 3.33Å; C44-D46 VanDerWaalsContact C-N 3.3Å; C44-K47 PolarHBondContact O-N 2.92Å; C44-K48 WeakPolarHBondContact O-CB 3.46Å; C44-K48 PolarHBondContact O-N 3.49Å; C44-V56 HydrophobicContact CB-CB 4.17Å; C44-V56 HydrophobicContact CB-CG2 4.17Å; C44-V56 WeakPolarHBondContact O-CG2 3.05Å; C44-V57 HydrophobicContact CB-CG1 4.16Å; C44-V57 WeakPolarHBondContact CB-O 3.41Å
45S88.9Confident87.7Confident16 Ų1676.4 Ų76.411%0.11238%0.38CS..Hα-helixtrans-61.7-42.4173.9-57.60000110.7I41 S42 K48 Y49 S58 W59I41-S45 WeakPolarHBondContact O-CB 3.28Å; I41-S45 PolarHBondContact O-N 2.68Å; I41-S45 PolarHBondContact O-OG 3.29Å; S42-S45 WeakPolarHBondContact O-CA 3.43Å; S42-S45 WeakPolarHBondContact O-CB 2.97Å; S42-S45 PolarHBondContact O-N 3.14Å; S45-K48 PolarHBondContact O-N 3.49Å; S45-Y49 PolarHBondContact O-N 3.15Å; S45-S58 VanDerWaalsContact OG-CA 3.25Å; S45-S58 WeakPolarHBondContact OG-CA 3.17Å; S45-S58 WeakPolarHBondContact OG-CB 3.17Å; S45-W59 VanDerWaalsContact OG-CD1 3.23Å; S45-W59 PolarHBondContact OG-N 2.66Å
46D86.6Confident87.6Confident46 Ų4673.7 Ų73.725%0.24636%0.362CS..Hα-helixtrans-60.2-48.9176.6-56.8-14.1000111.4S42 C44 K48 Y49 Q50 Y110S42-D46 PolarHBondContact O-N 3.15Å; S42-D46 VanDerWaalsContact O-OD1 3.08Å; C44-D46 VanDerWaalsContact C-N 3.3Å; D46-K48 PolarHBondContact O-N 3.15Å; D46-Y49 PolarHBondContact O-N 2.9Å; D46-Q50 PolarHBondContact O-N 3.13Å; D46-Y110 VanDerWaalsContact CA-CE2 3.41Å; D46-Y110 HydrophobicContact CB-CD2 3.88Å; D46-Y110 HydrophobicContact CB-CE2 3.4Å; D46-Y110 WeakPolarHBondContact OD1-CD2 3.44Å; D46-Y110 WeakPolarHBondContact OD1-CE2 3.04Å
47K86.8Confident87.6Confident113 Ų11369.8 Ų69.849%0.49134%0.338SS..Hα-helixtrans-61.2-44.6176-72.3175-177.7-179.90112.1S43 C44 Y49 Q50 N51 L54S43-K47 WeakPolarHBondContact O-CG 3.41Å; S43-K47 PolarHBondContact O-N 3.42Å; C44-K47 PolarHBondContact O-N 2.92Å; K47-Y49 VanDerWaalsContact C-N 3.25Å; K47-Y49 PolarHBondContact O-N 3.34Å; K47-Q50 PolarHBondContact O-N 2.98Å; K47-N51 PolarHBondContact O-N 3.14Å; K47-L54 HydrophobicContact CB-CD1 4.04Å; K47-L54 WeakPolarHBondContact O-CD1 3.26Å
48K86Confident87.6Confident47 Ų4769.5 Ų69.520%0.20434%0.337CS..Hα-helixtrans-63-34179.7-166-179.9179.4-173.40111.9C44 S45 D46 N51 N52 V56 S58C44-K48 WeakPolarHBondContact O-CB 3.46Å; C44-K48 PolarHBondContact O-N 3.49Å; S45-K48 PolarHBondContact O-N 3.49Å; D46-K48 PolarHBondContact O-N 3.15Å; K48-N51 CarbonylContact O-C 2.99Å; K48-N51 PolarHBondContact O-N 3.34Å; K48-N52 WeakPolarHBondContact O-CA 3.31Å; K48-N52 PolarHBondContact O-N 3.37Å; K48-N52 PolarHBondContact O-OD1 3.28Å; K48-V56 HydrophobicContact CB-CG2 3.71Å; K48-V56 HydrophobicContact CD-CG2 4.44Å; K48-V56 HydrophobicContact CG-CG2 4.23Å; K48-S58 WeakPolarHBondContact CD-OG 3.49Å
49Y83.4Confident87.6Confident125 Ų12568 Ų6849%0.4933%0.331SS..Hα-helixtrans-68.2-39.6175.2-173.4-89.1000112.1S45 D46 K47 N51 Y110 P111S45-Y49 PolarHBondContact O-N 3.15Å; D46-Y49 PolarHBondContact O-N 2.9Å; K47-Y49 VanDerWaalsContact C-N 3.25Å; K47-Y49 PolarHBondContact O-N 3.34Å; Y49-N51 VanDerWaalsContact C-N 3.29Å; Y49-N51 PolarHBondContact O-N 3.34Å; Y49-Y110 AromaticContact CD1-CD1 3.03Å; Y49-Y110 HydrophobicContact CD1-CD1 3.03Å; Y49-Y110 AromaticContact CD1-CE1 3.18Å; Y49-Y110 HydrophobicContact CD1-CE1 3.18Å; Y49-Y110 HydrophobicContact CD1-CG 4.02Å; Y49-Y110 AromaticContact CD2-CD1 3.9Å; Y49-Y110 HydrophobicContact CD2-CD1 3.9Å; Y49-Y110 HydrophobicContact CD2-CG 4.3Å; Y49-Y110 AromaticContact CE1-CD1 3.47Å; Y49-Y110 HydrophobicContact CE1-CD1 3.47Å; Y49-Y110 VanDerWaalsContact CE1-CD1 3.47Å; Y49-Y110 AromaticContact CE1-CE1 3.69Å; Y49-Y110 HydrophobicContact CE1-CE1 3.69Å; Y49-Y110 HydrophobicContact CE2-CD1 4.28Å; Y49-Y110 AromaticContact CG-CD1 3.25Å; Y49-Y110 HydrophobicContact CG-CD1 3.25Å; Y49-Y110 AromaticContact CG-CE1 3.81Å; Y49-Y110 HydrophobicContact CG-CE1 3.81Å; Y49-Y110 AromaticContact CG-CG 3.78Å; Y49-Y110 HydrophobicContact CG-CG 3.78Å; Y49-P111 HydrophobicContact CD2-CG 4.32Å; Y49-P111 VanDerWaalsContact CE2-CD 3.43Å; Y49-P111 HydrophobicContact CE2-CG 3.63Å
50Q85.3Confident87.8Confident145 Ų14563.9 Ų63.968%0.67831%0.313SS*.Hα-helixtrans-67.2-31175.3-66.5175.93.700112.5D46 K47 Y110D46-Q50 PolarHBondContact O-N 3.13Å; K47-Q50 PolarHBondContact O-N 2.98Å; Q50-Y110 PolarHBondContact NE2-OH 3.48Å
51N86Confident87.9Confident74 Ų7462 Ų6240%0.39630%0.303SS..  trans-140.698.9176.4179.8-4.7000110.4K47 K48 Y49 D53 L54K47-N51 PolarHBondContact O-N 3.14Å; K48-N51 CarbonylContact O-C 2.99Å; K48-N51 PolarHBondContact O-N 3.34Å; Y49-N51 VanDerWaalsContact C-N 3.29Å; Y49-N51 PolarHBondContact O-N 3.34Å; N51-D53 PolarHBondContact O-N 3.03Å; N51-D53 VanDerWaalsContact O-N 3.13Å; N51-D53 PolarHBondContact OD1-N 2.93Å; N51-D53 VanDerWaalsContact OD1-N 3.12Å; N51-L54 HydrophobicContact CB-CD1 3.77Å; N51-L54 HydrophobicContact CB-CG 3.77Å; N51-L54 WeakPolarHBondContact O-CB 3.34Å; N51-L54 WeakPolarHBondContact O-CG 3.24Å; N51-L54 PolarHBondContact O-N 3.06Å
52N82.1Confident88Confident128 Ų12862 Ų6268%0.68430%0.303SS*.THydrogen-bonded Turntrans-59.3-24.5-176.9-74.8-21.4000113.6K48 L54K48-N52 WeakPolarHBondContact O-CA 3.31Å; K48-N52 PolarHBondContact O-N 3.37Å; K48-N52 PolarHBondContact O-OD1 3.28Å; N52-L54 VanDerWaalsContact C-N 3.26Å; N52-L54 PolarHBondContact O-N 3.02Å
53D85.3Confident88.2Confident147 Ų14760.7 Ų60.779%0.78629%0.293SS*.THydrogen-bonded Turntrans-78.8-9.3-179.8-63.6-33.4000112.8N51 R55N51-D53 PolarHBondContact O-N 3.03Å; N51-D53 VanDerWaalsContact O-N 3.13Å; N51-D53 PolarHBondContact OD1-N 2.93Å; N51-D53 VanDerWaalsContact OD1-N 3.12Å; D53-R55 PolarHBondContact O-N 3.1Å
54L84.5Confident88.4Confident62 Ų6260.6 Ų60.633%0.32529%0.286SS..  trans-65.7121.1178.8-71.3176.3000111.7K47 N51 N52 V56K47-L54 HydrophobicContact CB-CD1 4.04Å; K47-L54 WeakPolarHBondContact O-CD1 3.26Å; N51-L54 HydrophobicContact CB-CD1 3.77Å; N51-L54 HydrophobicContact CB-CG 3.77Å; N51-L54 WeakPolarHBondContact O-CB 3.34Å; N51-L54 WeakPolarHBondContact O-CG 3.24Å; N51-L54 PolarHBondContact O-N 3.06Å; N52-L54 VanDerWaalsContact C-N 3.26Å; N52-L54 PolarHBondContact O-N 3.02Å; L54-V56 HydrophobicContact CB-CG1 4.39Å; L54-V56 HydrophobicContact CB-CG2 4.15Å; L54-V56 PolarHBondContact O-N 2.85Å
55R85.7Confident88.6Confident215 Ų21560.6 Ų60.681%0.81129%0.286SS*.  trans-80.456.4173.4-63.8-172.5179.4-170.60.7112.3R7 D53R7-R55 VanDerWaalsContact NH1-CA 3.31Å; R7-R55 PolarHBondContact NH1-O 3.45Å; D53-R55 PolarHBondContact O-N 3.1Å
56V87.9Confident88.9Confident20 Ų2059.9 Ų59.912%0.12128%0.281CS..  trans-106.4160175.6-61.50000112.1R7 C44 K48 L54R7-V56 VanDerWaalsContact NH1-N 3.18Å; R7-V56 PolarHBondContact NH1-O 3Å; C44-V56 HydrophobicContact CB-CB 4.17Å; C44-V56 HydrophobicContact CB-CG2 4.17Å; C44-V56 WeakPolarHBondContact O-CG2 3.05Å; K48-V56 HydrophobicContact CB-CG2 3.71Å; K48-V56 HydrophobicContact CD-CG2 4.44Å; K48-V56 HydrophobicContact CG-CG2 4.23Å; L54-V56 HydrophobicContact CB-CG1 4.39Å; L54-V56 HydrophobicContact CB-CG2 4.15Å; L54-V56 PolarHBondContact O-N 2.85Å
57V90.7Very high89.3Confident0 Ų057.8 Ų57.80%027%0.27CS..  trans-67.9139.4171.965.90000109.4Q3 I6 R7 I41 C44 F61 I62Q3-V57 HydrophobicContact CB-CG1 4.18Å; I6-V57 HydrophobicContact CB-CG2 4.49Å; I6-V57 HydrophobicContact CG2-CG2 3.94Å; R7-V57 HydrophobicContact CB-CB 4.13Å; I41-V57 HydrophobicContact CG1-CG1 4.15Å; C44-V57 HydrophobicContact CB-CG1 4.16Å; C44-V57 WeakPolarHBondContact CB-O 3.41Å; V57-F61 HydrophobicContact CG2-CD1 4.22Å; V57-I62 HydrophobicContact CG2-CD1 4.15Å; V57-I62 HydrophobicContact CG2-CG1 4.22Å
58S91.1Very high89.5Confident5 Ų557.5 Ų57.54%0.03527%0.266CS..  trans-143163.7173.370.80000111.3S45 K48 N60 F61 I62S45-S58 VanDerWaalsContact OG-CA 3.25Å; S45-S58 WeakPolarHBondContact OG-CA 3.17Å; S45-S58 WeakPolarHBondContact OG-CB 3.17Å; K48-S58 WeakPolarHBondContact CD-OG 3.49Å; S58-N60 PolarHBondContact O-N 3.47Å; S58-F61 WeakPolarHBondContact O-CB 3.39Å; S58-F61 PolarHBondContact O-N 3.05Å; S58-F61 WeakPolarHBondContact OG-CB 3.49Å; S58-F61 PolarHBondContact OG-N 3.45Å; S58-I62 WeakPolarHBondContact O-CG1 3.22Å; S58-I62 PolarHBondContact O-N 3.17Å
59W92.6Very high89.8Confident8 Ų855.4 Ų55.43%0.0326%0.256CS..Hα-helixtrans-58.2-45.8176.1-65.4120.1000112.3L32 R38 I41 S42 S45 F61 I62 I63 V101 H104 I112L32-W59 HydrophobicContact CD2-CH2 4.37Å; L32-W59 HydrophobicContact CD2-CZ3 4.06Å; R38-W59 HydrophobicContact CB-CH2 4.2Å; R38-W59 HydrophobicContact CB-CZ2 4.25Å; R38-W59 HydrophobicContact CG-CH2 4.12Å; I41-W59 HydrophobicContact CB-CD2 4.49Å; I41-W59 HydrophobicContact CB-CH2 4.12Å; I41-W59 HydrophobicContact CB-CZ2 3.85Å; I41-W59 HydrophobicContact CD1-CH2 4.01Å; I41-W59 HydrophobicContact CD1-CZ3 4.17Å; I41-W59 HydrophobicContact CG2-CD2 3.51Å; I41-W59 HydrophobicContact CG2-CE3 3.76Å; I41-W59 HydrophobicContact CG2-CG 4.04Å; I41-W59 HydrophobicContact CG2-CH2 4.03Å; I41-W59 HydrophobicContact CG2-CZ2 3.78Å; I41-W59 HydrophobicContact CG2-CZ3 4.01Å; S42-W59 PolarHBondContact OG-NE1 3.23Å; S42-W59 VanDerWaalsContact OG-NE1 3.07Å; S45-W59 VanDerWaalsContact OG-CD1 3.23Å; S45-W59 PolarHBondContact OG-N 2.66Å; W59-F61 VanDerWaalsContact C-N 3.34Å; W59-F61 PolarHBondContact O-N 3.08Å; W59-I62 HydrophobicContact CE3-CD1 4.05Å; W59-I62 HydrophobicContact CZ3-CD1 4.23Å; W59-I62 PolarHBondContact O-N 2.5Å; W59-I62 VanDerWaalsContact O-N 3.13Å; W59-I63 WeakPolarHBondContact O-CG1 3.43Å; W59-I63 PolarHBondContact O-N 3.39Å; W59-V101 HydrophobicContact CB-CG1 4.07Å; W59-V101 HydrophobicContact CD2-CG1 4.29Å; W59-V101 HydrophobicContact CE3-CB 4.17Å; W59-V101 HydrophobicContact CE3-CG1 3.75Å; W59-V101 HydrophobicContact CE3-CG2 3.83Å; W59-V101 HydrophobicContact CG-CG1 4.47Å; W59-V101 HydrophobicContact CZ3-CG2 4.02Å; W59-H104 HydrophobicContact CH2-CB 4.42Å; W59-H104 HydrophobicContact CZ2-CB 4.38Å; W59-I112 HydrophobicContact CB-CD1 4.45Å
60N91.9Very high90.2Very high41 Ų4149.4 Ų49.422%0.21923%0.233CC..Hα-helixtrans-58.5-44.3174.7-73.1-27.2000112.2S58 I62 I63 E64 P111 I112 N113S58-N60 PolarHBondContact O-N 3.47Å; N60-I62 VanDerWaalsContact C-N 3.28Å; N60-I62 PolarHBondContact O-N 2.96Å; N60-I63 PolarHBondContact O-N 3.49Å; N60-I63 VanDerWaalsContact O-N 3.15Å; N60-E64 VanDerWaalsContact O-CG 3.29Å; N60-E64 WeakPolarHBondContact O-CG 3.48Å; N60-E64 PolarHBondContact O-N 3Å; N60-P111 PolarHBondContact ND2-O 3.06Å; N60-I112 VanDerWaalsContact OD1-CA 3.24Å; N60-I112 WeakPolarHBondContact OD1-CA 3.49Å; N60-N113 PolarHBondContact OD1-N 3.1Å
61F92.1Very high90.4Very high14 Ų1445.1 Ų45.16%0.06121%0.214CC..Hα-helixtrans-60.9-37.9176.8171.1-97.4000112.1R7 V10 D11 V57 S58 W59 N65R7-F61 HydrophobicContact CG-CE1 4.03Å; R7-F61 HydrophobicContact CG-CZ 4.09Å; V10-F61 HydrophobicContact CB-CE1 3.71Å; V10-F61 HydrophobicContact CB-CZ 4.33Å; V10-F61 HydrophobicContact CG1-CD1 4.09Å; V10-F61 HydrophobicContact CG1-CE1 3.45Å; V10-F61 VanDerWaalsContact CG1-CE1 3.45Å; V10-F61 HydrophobicContact CG1-CZ 3.94Å; V10-F61 HydrophobicContact CG2-CE1 4.39Å; D11-F61 WeakPolarHBondContact OD1-CZ 3.44Å; V57-F61 HydrophobicContact CG2-CD1 4.22Å; S58-F61 WeakPolarHBondContact O-CB 3.39Å; S58-F61 PolarHBondContact O-N 3.05Å; S58-F61 WeakPolarHBondContact OG-CB 3.49Å; S58-F61 PolarHBondContact OG-N 3.45Å; W59-F61 VanDerWaalsContact C-N 3.34Å; W59-F61 PolarHBondContact O-N 3.08Å; F61-N65 WeakPolarHBondContact CD2-ND2 3.36Å; F61-N65 WeakPolarHBondContact CE2-ND2 3.48Å; F61-N65 WeakPolarHBondContact O-CB 3.36Å; F61-N65 PolarHBondContact O-N 3.42Å; F61-N65 PolarHBondContact O-ND2 3.34Å
62I93.7Very high90.5Very high0 Ų044.6 Ų44.60%021%0.214CC..Hα-helixtrans-66.3-46.3174.9-65.3167.4000110.3V10 L32 I41 V57 S58 W59 N60 I66 I97 V101V10-I62 HydrophobicContact CG2-CG1 4.27Å; L32-I62 HydrophobicContact CD2-CD1 4.3Å; I41-I62 HydrophobicContact CD1-CD1 4.05Å; I41-I62 HydrophobicContact CG2-CD1 4.04Å; V57-I62 HydrophobicContact CG2-CD1 4.15Å; V57-I62 HydrophobicContact CG2-CG1 4.22Å; S58-I62 WeakPolarHBondContact O-CG1 3.22Å; S58-I62 PolarHBondContact O-N 3.17Å; W59-I62 HydrophobicContact CE3-CD1 4.05Å; W59-I62 HydrophobicContact CZ3-CD1 4.23Å; W59-I62 PolarHBondContact O-N 2.5Å; W59-I62 VanDerWaalsContact O-N 3.13Å; N60-I62 VanDerWaalsContact C-N 3.28Å; N60-I62 PolarHBondContact O-N 2.96Å; I62-I66 HydrophobicContact CG2-CG1 3.99Å; I62-I66 VanDerWaalsContact O-CB 3.29Å; I62-I66 WeakPolarHBondContact O-CB 3.17Å; I62-I66 WeakPolarHBondContact O-CG1 3.28Å; I62-I66 PolarHBondContact O-N 2.92Å; I62-I97 HydrophobicContact CG2-CG2 4.06Å; I62-V101 HydrophobicContact CG2-CG2 3.91Å
63I93.4Very high90.6Very high2 Ų238.9 Ų38.91%0.0118%0.183CC..Hα-helixtrans-58.4-54.7179.9-65.9165.4000110.8W59 N60 N65 I66 V67 L98 V101 I112 F117 F144W59-I63 WeakPolarHBondContact O-CG1 3.43Å; W59-I63 PolarHBondContact O-N 3.39Å; N60-I63 PolarHBondContact O-N 3.49Å; N60-I63 VanDerWaalsContact O-N 3.15Å; I63-N65 VanDerWaalsContact C-N 3.34Å; I63-N65 PolarHBondContact O-N 3.42Å; I63-I66 PolarHBondContact O-N 2.9Å; I63-V67 HydrophobicContact CG2-CG2 4.27Å; I63-V67 WeakPolarHBondContact O-CB 3.43Å; I63-V67 VanDerWaalsContact O-CG2 3.31Å; I63-V67 WeakPolarHBondContact O-CG2 3.17Å; I63-V67 PolarHBondContact O-N 2.83Å; I63-L98 HydrophobicContact CG1-CD2 4.32Å; I63-L98 HydrophobicContact CG2-CD2 4.38Å; I63-V101 HydrophobicContact CD1-CG1 3.7Å; I63-V101 HydrophobicContact CG1-CB 4.4Å; I63-V101 HydrophobicContact CG1-CG1 3.74Å; I63-I112 HydrophobicContact CD1-CG2 3.43Å; I63-I112 VanDerWaalsContact CD1-CG2 3.43Å; I63-F117 HydrophobicContact CG2-CB 4.44Å; I63-F144 HydrophobicContact CD1-CE1 3.93Å; I63-F144 HydrophobicContact CD1-CZ 3.9Å; I63-F144 HydrophobicContact CG1-CZ 4.24Å
64E93.5Very high90.6Very high60 Ų6033.1 Ų33.128%0.2815%0.152SC..Hα-helixtrans-54.4-48.2-178.2-70.1164.7-166.200111.7N60 R68 E116N60-E64 VanDerWaalsContact O-CG 3.29Å; N60-E64 WeakPolarHBondContact O-CG 3.48Å; N60-E64 PolarHBondContact O-N 3Å; E64-R68 WeakPolarHBondContact O-CB 3.35Å; E64-R68 PolarHBondContact O-N 3.46Å; E64-E116 WeakPolarHBondContact CA-OE2 3.38Å
65N94Very high90.5Very high5 Ų536.6 Ų36.63%0.02717%0.167CC..Hα-helixtrans-73.3-36.2-177.9-72.4-70.1000112.5V10 V14 F61 I63 R68 V69V10-N65 HydrophobicContact CG1-CB 3.68Å; V14-N65 HydrophobicContact CG2-CB 3.76Å; V14-N65 WeakPolarHBondContact CG2-OD1 3.29Å; F61-N65 WeakPolarHBondContact CD2-ND2 3.36Å; F61-N65 WeakPolarHBondContact CE2-ND2 3.48Å; F61-N65 WeakPolarHBondContact O-CB 3.36Å; F61-N65 PolarHBondContact O-N 3.42Å; F61-N65 PolarHBondContact O-ND2 3.34Å; I63-N65 VanDerWaalsContact C-N 3.34Å; I63-N65 PolarHBondContact O-N 3.42Å; N65-R68 PolarHBondContact O-N 3.08Å; N65-R68 VanDerWaalsContact OD1-CZ 3.24Å; N65-R68 PolarHBondContact OD1-NH1 3.05Å; N65-R68 PolarHBondContact OD1-NH2 3.23Å; N65-R68 VanDerWaalsContact OD1-NH2 3.12Å; N65-V69 WeakPolarHBondContact O-CB 3.33Å; N65-V69 WeakPolarHBondContact O-CG2 3.38Å; N65-V69 PolarHBondContact O-N 3.04Å
66I94.6Very high90Very high0 Ų029.7 Ų29.70%015%0.151CC..Hα-helixtrans-65.9-44175.5-68.1-69.5000110.6L13 L28 I62 I63 R68 V69 M70 Y94 I97 L98L13-I66 HydrophobicContact CD1-CD1 4.36Å; L13-I66 HydrophobicContact CD2-CD1 4.3Å; L28-I66 HydrophobicContact CD2-CD1 4.01Å; I62-I66 HydrophobicContact CG2-CG1 3.99Å; I62-I66 VanDerWaalsContact O-CB 3.29Å; I62-I66 WeakPolarHBondContact O-CB 3.17Å; I62-I66 WeakPolarHBondContact O-CG1 3.28Å; I62-I66 PolarHBondContact O-N 2.92Å; I63-I66 PolarHBondContact O-N 2.9Å; I66-R68 PolarHBondContact O-N 2.75Å; I66-V69 PolarHBondContact O-N 2.84Å; I66-M70 HydrophobicContact CG2-CG 4.46Å; I66-M70 HydrophobicContact CG2-SD 4.11Å; I66-M70 VanDerWaalsContact O-CG 3.28Å; I66-M70 WeakPolarHBondContact O-CG 3.37Å; I66-M70 PolarHBondContact O-N 2.71Å; I66-Y94 HydrophobicContact CD1-CD1 4.09Å; I66-Y94 HydrophobicContact CG2-CD1 4.21Å; I66-I97 HydrophobicContact CD1-CD1 4.1Å; I66-I97 HydrophobicContact CD1-CG2 4.11Å; I66-I97 HydrophobicContact CG1-CG2 3.98Å; I66-L98 HydrophobicContact CB-CD2 4.22Å; I66-L98 HydrophobicContact CG2-CD1 4.21Å; I66-L98 HydrophobicContact CG2-CD2 3.88Å; I66-L98 HydrophobicContact CG2-CG 3.82Å
67V93.7Very high89Confident2 Ų231.1 Ų31.11%0.01216%0.155CC..Hα-helixtrans-60.8-45.6175.5171.60000110.9I63 V69 M70 I71 F117 F120I63-V67 HydrophobicContact CG2-CG2 4.27Å; I63-V67 WeakPolarHBondContact O-CB 3.43Å; I63-V67 VanDerWaalsContact O-CG2 3.31Å; I63-V67 WeakPolarHBondContact O-CG2 3.17Å; I63-V67 PolarHBondContact O-N 2.83Å; V67-V69 VanDerWaalsContact C-N 3.29Å; V67-V69 PolarHBondContact O-N 2.89Å; V67-M70 WeakPolarHBondContact O-CB 3.48Å; V67-M70 PolarHBondContact O-N 2.8Å; V67-I71 HydrophobicContact CG1-CD1 3.98Å; V67-I71 WeakPolarHBondContact O-CG1 3.4Å; V67-I71 PolarHBondContact O-N 3.4Å; V67-F117 HydrophobicContact CG2-CB 4.23Å; V67-F117 HydrophobicContact CG2-CD2 3.82Å; V67-F120 HydrophobicContact CG1-CB 3.82Å; V67-F120 HydrophobicContact CG1-CD1 4.23Å; V67-F120 HydrophobicContact CG1-CG 3.98Å
68R92.7Very high87.3Confident108 Ų10836.7 Ų36.741%0.40819%0.194SC..Hα-helixtrans-59.4-39.2176.8-166.5-174.6-45.5149.815.6113.1E64 N65 I66 I71 T72E64-R68 WeakPolarHBondContact O-CB 3.35Å; E64-R68 PolarHBondContact O-N 3.46Å; N65-R68 PolarHBondContact O-N 3.08Å; N65-R68 VanDerWaalsContact OD1-CZ 3.24Å; N65-R68 PolarHBondContact OD1-NH1 3.05Å; N65-R68 PolarHBondContact OD1-NH2 3.23Å; N65-R68 VanDerWaalsContact OD1-NH2 3.12Å; I66-R68 PolarHBondContact O-N 2.75Å; R68-I71 PolarHBondContact O-N 3.23Å; R68-T72 PolarHBondContact O-N 2.73Å; R68-T72 PolarHBondContact O-OG1 3.2Å
69V91.6Very high85.5Confident2 Ų239.8 Ų39.81%0.01223%0.226CC..Hα-helixtrans-69.8-42.7177.3170.90000110.7L13 V14 R21 N65 I66 V67 I71 T72 E73 Y94L13-V69 HydrophobicContact CD2-CB 3.81Å; L13-V69 HydrophobicContact CD2-CG1 3.67Å; L13-V69 HydrophobicContact CD2-CG2 3.34Å; V14-V69 HydrophobicContact CB-CG2 4.34Å; V14-V69 HydrophobicContact CG2-CG2 3.8Å; R21-V69 HydrophobicContact CG-CG1 4.37Å; N65-V69 WeakPolarHBondContact O-CB 3.33Å; N65-V69 WeakPolarHBondContact O-CG2 3.38Å; N65-V69 PolarHBondContact O-N 3.04Å; I66-V69 PolarHBondContact O-N 2.84Å; V67-V69 VanDerWaalsContact C-N 3.29Å; V67-V69 PolarHBondContact O-N 2.89Å; V69-I71 VanDerWaalsContact C-N 3.3Å; V69-I71 PolarHBondContact O-N 2.94Å; V69-T72 PolarHBondContact O-N 3.08Å; V69-E73 HydrophobicContact CG1-CG 4.41Å; V69-E73 WeakPolarHBondContact O-CG 3.44Å; V69-E73 PolarHBondContact O-N 2.95Å; V69-Y94 HydrophobicContact CB-CE1 4.46Å; V69-Y94 HydrophobicContact CG1-CD1 4.41Å; V69-Y94 HydrophobicContact CG1-CE1 3.58Å
70M91.5Very high83.3Confident0 Ų049.8 Ų49.80%026%0.264CS..Hα-helixtrans-58.4-41.7174.2-73.3179.279.100111.9I66 V67 E73 L74 M91 Y94 L95 L98 F120 L137I66-M70 HydrophobicContact CG2-CG 4.46Å; I66-M70 HydrophobicContact CG2-SD 4.11Å; I66-M70 VanDerWaalsContact O-CG 3.28Å; I66-M70 WeakPolarHBondContact O-CG 3.37Å; I66-M70 PolarHBondContact O-N 2.71Å; V67-M70 WeakPolarHBondContact O-CB 3.48Å; V67-M70 PolarHBondContact O-N 2.8Å; M70-E73 PolarHBondContact O-N 3.47Å; M70-L74 VanDerWaalsContact O-CG 3.31Å; M70-L74 WeakPolarHBondContact O-CG 3.39Å; M70-L74 PolarHBondContact O-N 3.12Å; M70-L74 VanDerWaalsContact O-N 3.07Å; M70-M91 HydrophobicContact CB-CE 3.79Å; M70-M91 HydrophobicContact CE-CE 3.51Å; M70-M91 HydrophobicContact CG-CE 3.84Å; M70-Y94 HydrophobicContact CG-CD1 4.38Å; M70-Y94 HydrophobicContact CG-CD2 4.47Å; M70-Y94 HydrophobicContact CG-CG 3.97Å; M70-L95 HydrophobicContact CE-CD2 3.87Å; M70-L95 HydrophobicContact CE-CG 4.21Å; M70-L98 HydrophobicContact SD-CD1 3.89Å; M70-F120 HydrophobicContact CB-CE1 4.14Å; M70-F120 HydrophobicContact CB-CZ 3.87Å; M70-F120 HydrophobicContact CE-CE1 4Å; M70-F120 HydrophobicContact CE-CZ 4.44Å; M70-F120 HydrophobicContact SD-CE1 4.36Å; M70-L137 HydrophobicContact CE-CD2 3.95Å
71I89.7Confident81.4Confident55 Ų5551.8 Ų51.828%0.28230%0.295SS..Hα-helixtrans-60.5-49.8174.4-68.2165.1000110.9V67 R68 V69 E73 L74 Q75 F120V67-I71 HydrophobicContact CG1-CD1 3.98Å; V67-I71 WeakPolarHBondContact O-CG1 3.4Å; V67-I71 PolarHBondContact O-N 3.4Å; R68-I71 PolarHBondContact O-N 3.23Å; V69-I71 VanDerWaalsContact C-N 3.3Å; V69-I71 PolarHBondContact O-N 2.94Å; I71-E73 PolarHBondContact O-N 3.09Å; I71-L74 PolarHBondContact O-N 3.26Å; I71-Q75 WeakPolarHBondContact O-CG 3.46Å; I71-Q75 PolarHBondContact O-N 3.4Å; I71-F120 HydrophobicContact CB-CE2 4.46Å; I71-F120 HydrophobicContact CD1-CD2 3.96Å; I71-F120 HydrophobicContact CD1-CE2 4.5Å; I71-F120 HydrophobicContact CG1-CD2 3.38Å; I71-F120 HydrophobicContact CG1-CE2 3.46Å; I71-F120 VanDerWaalsContact CG1-CE2 3.46Å; I71-F120 HydrophobicContact CG1-CG 4.31Å; I71-F120 HydrophobicContact CG1-CZ 4.45Å
72T87.3Confident79.4Confident63 Ų6358.3 Ų58.339%0.38733%0.33SS..Hα-helixtrans-60.6-43.1179.5-54.20000112R68 V69 Q75 S76R68-T72 PolarHBondContact O-N 2.73Å; R68-T72 PolarHBondContact O-OG1 3.2Å; V69-T72 PolarHBondContact O-N 3.08Å; T72-Q75 PolarHBondContact O-N 3.5Å; T72-S76 PolarHBondContact O-N 3.34Å
73E85.4Confident77.7Confident8 Ų859.9 Ų59.94%0.03734%0.338CS..Hα-helixtrans-59.7-48.2176.4-77.3-63156.700110.6K18 R21 V69 M70 I71 Q75 S76 Y77 M91K18-E73 IonicContact NZ-OE2 2.85Å; R21-E73 WeakPolarHBondContact CD-OE1 3.49Å; R21-E73 IonicContact CZ-OE1 3.62Å; R21-E73 IonicContact NE-OE1 3.79Å; R21-E73 IonicContact NH1-OE1 3.95Å; R21-E73 PolarHBondContact NH1-OE1 3.28Å; V69-E73 HydrophobicContact CG1-CG 4.41Å; V69-E73 WeakPolarHBondContact O-CG 3.44Å; V69-E73 PolarHBondContact O-N 2.95Å; M70-E73 PolarHBondContact O-N 3.47Å; I71-E73 PolarHBondContact O-N 3.09Å; E73-Q75 PolarHBondContact O-N 2.92Å; E73-S76 WeakPolarHBondContact O-CB 3.36Å; E73-S76 PolarHBondContact O-N 3.06Å; E73-S76 VanDerWaalsContact O-N 3.17Å; E73-S76 PolarHBondContact O-OG 3.48Å; E73-Y77 VanDerWaalsContact O-CD2 3.22Å; E73-Y77 WeakPolarHBondContact O-CD2 3.45Å; E73-M91 HydrophobicContact CB-SD 4.2Å
74L84.9Confident76.3Confident25 Ų2565.6 Ų65.613%0.13137%0.365CS..Hα-helixtrans-64.6-40.4-178.8-69.3168.3000113.1M70 I71 S76 Y77 M91 F120 I124 V130 L133M70-L74 VanDerWaalsContact O-CG 3.31Å; M70-L74 WeakPolarHBondContact O-CG 3.39Å; M70-L74 PolarHBondContact O-N 3.12Å; M70-L74 VanDerWaalsContact O-N 3.07Å; I71-L74 PolarHBondContact O-N 3.26Å; L74-S76 PolarHBondContact O-N 3.1Å; L74-Y77 PolarHBondContact O-N 3.49Å; L74-M91 HydrophobicContact CD1-CE 3.91Å; L74-M91 HydrophobicContact CD2-CE 4.09Å; L74-M91 HydrophobicContact CG-CE 3.84Å; L74-F120 HydrophobicContact CD1-CE2 3.9Å; L74-F120 HydrophobicContact CD1-CZ 3.67Å; L74-I124 HydrophobicContact CD1-CD1 3.56Å; L74-I124 HydrophobicContact CD1-CG1 4.35Å; L74-V130 HydrophobicContact CD2-CG1 3.85Å; L74-L133 HydrophobicContact CD1-CD1 3.88Å; L74-L133 HydrophobicContact CD2-CD1 3.58Å; L74-L133 HydrophobicContact CG-CD1 4.29Å
75Q82.4Confident74.8Confident136 Ų13666.5 Ų66.564%0.63638%0.378SS*.Hα-helixtrans-61-33.9175.7-72.7177.1-8.800112.4I71 T72 E73 Y77 S78I71-Q75 WeakPolarHBondContact O-CG 3.46Å; I71-Q75 PolarHBondContact O-N 3.4Å; T72-Q75 PolarHBondContact O-N 3.5Å; E73-Q75 PolarHBondContact O-N 2.92Å; Q75-Y77 PolarHBondContact O-N 2.85Å; Q75-S78 PolarHBondContact O-OG 3.3Å
76S74.3Confident73.6Confident70 Ų7074.6 Ų74.649%0.4941%0.408SS..THydrogen-bonded Turntrans-68.9-10.9-179.280.10000114.9T72 E73 L74T72-S76 PolarHBondContact O-N 3.34Å; E73-S76 WeakPolarHBondContact O-CB 3.36Å; E73-S76 PolarHBondContact O-N 3.06Å; E73-S76 VanDerWaalsContact O-N 3.17Å; E73-S76 PolarHBondContact O-OG 3.48Å; L74-S76 PolarHBondContact O-N 3.1Å
77Y68.4Low72.5Confident50 Ų5075 Ų7520%0.19641%0.41CS..THydrogen-bonded Turntrans-110.78.4-170.6-83.6-70.2000115.6K18 E73 L74 Q75 G79 I83 L87 E90K18-Y77 VanDerWaalsContact CE-OH 3.26Å; K18-Y77 WeakPolarHBondContact CE-OH 3.01Å; K18-Y77 PolarHBondContact NZ-OH 3.45Å; E73-Y77 VanDerWaalsContact O-CD2 3.22Å; E73-Y77 WeakPolarHBondContact O-CD2 3.45Å; L74-Y77 PolarHBondContact O-N 3.49Å; Q75-Y77 PolarHBondContact O-N 2.85Å; Y77-G79 PolarHBondContact O-N 3.26Å; Y77-I83 HydrophobicContact CD1-CD1 3.79Å; Y77-I83 HydrophobicContact CD1-CG1 4.45Å; Y77-I83 HydrophobicContact CD1-CG2 4.21Å; Y77-L87 HydrophobicContact CD1-CG 4.47Å; Y77-L87 HydrophobicContact CD2-CD1 4.24Å; Y77-L87 HydrophobicContact CD2-CD2 3.28Å; Y77-L87 HydrophobicContact CD2-CG 3.99Å; Y77-L87 HydrophobicContact CE2-CD2 3.3Å; Y77-L87 HydrophobicContact CE2-CG 4.12Å; Y77-L87 HydrophobicContact CG-CD1 4.09Å; Y77-L87 HydrophobicContact CG-CD2 3.93Å; Y77-L87 HydrophobicContact CG-CG 4.13Å; Y77-E90 WeakPolarHBondContact CE2-OE2 3.16Å; Y77-E90 VanDerWaalsContact CZ-OE2 3.32Å; Y77-E90 VanDerWaalsContact OH-CD 3.29Å; Y77-E90 PolarHBondContact OH-OE1 3.49Å; Y77-E90 PolarHBondContact OH-OE2 3.1Å
78S54.7Low71.7Confident116 Ų11678.1 Ų78.181%0.81143%0.427SS*.THydrogen-bonded Turntrans-60.993173.4490000111.5Q75Q75-S78 PolarHBondContact O-OG 3.3Å
79G52.9Low71Confident70 Ų7079.1 Ų79.172%0.72244%0.437SS*.THydrogen-bonded Turntrans134.625.9160.300000122Y77Y77-G79 PolarHBondContact O-N 3.26Å
80R46.9Very low70.6Confident218 Ų21881.8 Ų81.882%0.82345%0.45SS*.  trans-137.1142.9168.6-64.2-175.9179-173.3-0.7115.1N82 I83R80-N82 PolarHBondContact O-N 2.93Å; R80-I83 HydrophobicContact CB-CD1 3.76Å; R80-I83 HydrophobicContact CB-CG1 4.21Å; R80-I83 WeakPolarHBondContact O-CD1 3.29Å; R80-I83 WeakPolarHBondContact O-CG1 3.03Å
81G52Low70.4Confident84 Ų8481.9 Ų81.987%0.86645%0.45SS*.THydrogen-bonded Turntrans-821.5-162.100000119.8
82N50.3Low70.4Confident150 Ų15081.4 Ų81.480%0.80245%0.45SS*.THydrogen-bonded Turntrans-12333.1-179.9-97.6-7.2000112.8R80R80-N82 PolarHBondContact O-N 2.93Å
83I58Low70.6Confident34 Ų3478.7 Ų78.717%0.17443%0.434CS..  trans-90.6-30.8-163.2-77.4-178.6000114Y77 R80 S85 R86 L87Y77-I83 HydrophobicContact CD1-CD1 3.79Å; Y77-I83 HydrophobicContact CD1-CG1 4.45Å; Y77-I83 HydrophobicContact CD1-CG2 4.21Å; R80-I83 HydrophobicContact CB-CD1 3.76Å; R80-I83 HydrophobicContact CB-CG1 4.21Å; R80-I83 WeakPolarHBondContact O-CD1 3.29Å; R80-I83 WeakPolarHBondContact O-CG1 3.03Å; I83-S85 PolarHBondContact O-N 3.11Å; I83-R86 PolarHBondContact O-N 3.14Å; I83-R86 VanDerWaalsContact O-N 3.12Å; I83-L87 HydrophobicContact CG2-CB 3.97Å; I83-L87 HydrophobicContact CG2-CD1 3.11Å; I83-L87 HydrophobicContact CG2-CG 3.35Å; I83-L87 WeakPolarHBondContact O-CB 3.26Å; I83-L87 PolarHBondContact O-N 3.45Å
84E62.5Low71Confident122 Ų12278.7 Ų78.757%0.5743%0.433SS*.Hα-helixtrans-55-46.9-166.4-69.2-174.316700114.1R86 N88 F132E84-R86 PolarHBondContact O-N 3.09Å; E84-N88 WeakPolarHBondContact O-CB 3.45Å; E84-N88 PolarHBondContact O-N 3.23Å; E84-F132 HydrophobicContact CB-CD1 4.38Å; E84-F132 HydrophobicContact CG-CD1 4.2Å
85S63.8Low71.3Confident79 Ų7978.1 Ų78.155%0.55243%0.43SS*.Hα-helixtrans-66.9-38.7-178.962.20000112.7I83 M89I83-S85 PolarHBondContact O-N 3.11Å; S85-M89 WeakPolarHBondContact O-CG 3.45Å; S85-M89 PolarHBondContact O-N 3.11Å
86R68.3Low71.9Confident175 Ų17576.6 Ų76.666%0.6642%0.422SS*.Hα-helixtrans-70.2-46.8177.6-72.6-174.3178.3-175.20.7111.3I83 E84 N88 M89 E90I83-R86 PolarHBondContact O-N 3.14Å; I83-R86 VanDerWaalsContact O-N 3.12Å; E84-R86 PolarHBondContact O-N 3.09Å; R86-N88 VanDerWaalsContact C-N 3.33Å; R86-N88 PolarHBondContact O-N 2.5Å; R86-M89 HydrophobicContact CG-CE 4.45Å; R86-M89 PolarHBondContact O-N 3.32Å; R86-E90 WeakPolarHBondContact O-CG 3.35Å; R86-E90 PolarHBondContact O-N 2.89Å
87L71.6Confident72.9Confident8 Ų873.2 Ų73.24%0.04240%0.398CS..Hα-helixtrans-62.2-40.7176.5-96.8-175.8000111.9Y77 I83 M89 E90 M91 F132Y77-L87 HydrophobicContact CD1-CG 4.47Å; Y77-L87 HydrophobicContact CD2-CD1 4.24Å; Y77-L87 HydrophobicContact CD2-CD2 3.28Å; Y77-L87 HydrophobicContact CD2-CG 3.99Å; Y77-L87 HydrophobicContact CE2-CD2 3.3Å; Y77-L87 HydrophobicContact CE2-CG 4.12Å; Y77-L87 HydrophobicContact CG-CD1 4.09Å; Y77-L87 HydrophobicContact CG-CD2 3.93Å; Y77-L87 HydrophobicContact CG-CG 4.13Å; I83-L87 HydrophobicContact CG2-CB 3.97Å; I83-L87 HydrophobicContact CG2-CD1 3.11Å; I83-L87 HydrophobicContact CG2-CG 3.35Å; I83-L87 WeakPolarHBondContact O-CB 3.26Å; I83-L87 PolarHBondContact O-N 3.45Å; L87-M89 VanDerWaalsContact C-N 3.33Å; L87-M89 PolarHBondContact O-N 2.86Å; L87-E90 PolarHBondContact O-N 3.35Å; L87-E90 VanDerWaalsContact O-N 3.17Å; L87-M91 HydrophobicContact CD2-CG 4.46Å; L87-M91 WeakPolarHBondContact O-CB 3.5Å; L87-M91 VanDerWaalsContact O-CG 3.24Å; L87-M91 WeakPolarHBondContact O-CG 3.49Å; L87-M91 PolarHBondContact O-N 3.27Å; L87-F132 HydrophobicContact CB-CE1 4.27Å; L87-F132 HydrophobicContact CB-CE2 3.77Å; L87-F132 HydrophobicContact CB-CZ 3.46Å; L87-F132 VanDerWaalsContact CB-CZ 3.46Å; L87-F132 HydrophobicContact CD1-CE1 4.22Å; L87-F132 HydrophobicContact CD1-CZ 3.76Å; L87-F132 HydrophobicContact CG-CZ 4.2Å
88N75.5Confident74.1Confident67 Ų6770.9 Ų70.936%0.35839%0.389SS..Hα-helixtrans-59.7-45.6177.2-170.214.2000111.2E84 R86 E90 M91 T92 F132E84-N88 WeakPolarHBondContact O-CB 3.45Å; E84-N88 PolarHBondContact O-N 3.23Å; R86-N88 VanDerWaalsContact C-N 3.33Å; R86-N88 PolarHBondContact O-N 2.5Å; N88-E90 VanDerWaalsContact C-N 3.34Å; N88-E90 PolarHBondContact O-N 3.22Å; N88-M91 PolarHBondContact O-N 2.9Å; N88-T92 WeakPolarHBondContact O-CB 3.46Å; N88-T92 PolarHBondContact O-N 3.34Å; N88-T92 PolarHBondContact O-OG1 3.41Å; N88-F132 HydrophobicContact CB-CD2 3.68Å; N88-F132 HydrophobicContact CB-CE2 4.19Å; N88-F132 HydrophobicContact CB-CG 4.45Å
89M78.1Confident76Confident129 Ų12968.3 Ų68.364%0.63536%0.364SS*.Hα-helixtrans-63-37.5174.8-71.3-172.5-6700112.9S85 R86 L87 P93S85-M89 WeakPolarHBondContact O-CG 3.45Å; S85-M89 PolarHBondContact O-N 3.11Å; R86-M89 HydrophobicContact CG-CE 4.45Å; R86-M89 PolarHBondContact O-N 3.32Å; L87-M89 VanDerWaalsContact C-N 3.33Å; L87-M89 PolarHBondContact O-N 2.86Å; M89-P93 VanDerWaalsContact O-CD 3.28Å; M89-P93 WeakPolarHBondContact O-CD 3.37Å
90E83.1Confident77.8Confident59 Ų5966 Ų6628%0.27634%0.335SS..Hα-helixtrans-72.3-34178.6-74.3180-179.400112.7Y77 R86 L87 N88 P93 Y94Y77-E90 WeakPolarHBondContact CE2-OE2 3.16Å; Y77-E90 VanDerWaalsContact CZ-OE2 3.32Å; Y77-E90 VanDerWaalsContact OH-CD 3.29Å; Y77-E90 PolarHBondContact OH-OE1 3.49Å; Y77-E90 PolarHBondContact OH-OE2 3.1Å; R86-E90 WeakPolarHBondContact O-CG 3.35Å; R86-E90 PolarHBondContact O-N 2.89Å; L87-E90 PolarHBondContact O-N 3.35Å; L87-E90 VanDerWaalsContact O-N 3.17Å; N88-E90 VanDerWaalsContact C-N 3.34Å; N88-E90 PolarHBondContact O-N 3.22Å; E90-P93 WeakPolarHBondContact O-CD 3.42Å; E90-Y94 VanDerWaalsContact O-CD2 3.3Å; E90-Y94 WeakPolarHBondContact O-CD2 3.45Å; E90-Y94 WeakPolarHBondContact O-CE2 3.35Å
91M87.6Confident80Confident1 Ų155.6 Ų55.61%0.00530%0.296CS..Hα-helixtrans-84.4-25.1-177.7-66.9-63.4-8300113.4M70 E73 L74 L87 N88 Y94 L95 L133M70-M91 HydrophobicContact CB-CE 3.79Å; M70-M91 HydrophobicContact CE-CE 3.51Å; M70-M91 HydrophobicContact CG-CE 3.84Å; E73-M91 HydrophobicContact CB-SD 4.2Å; L74-M91 HydrophobicContact CD1-CE 3.91Å; L74-M91 HydrophobicContact CD2-CE 4.09Å; L74-M91 HydrophobicContact CG-CE 3.84Å; L87-M91 HydrophobicContact CD2-CG 4.46Å; L87-M91 WeakPolarHBondContact O-CB 3.5Å; L87-M91 VanDerWaalsContact O-CG 3.24Å; L87-M91 WeakPolarHBondContact O-CG 3.49Å; L87-M91 PolarHBondContact O-N 3.27Å; N88-M91 PolarHBondContact O-N 2.9Å; M91-Y94 PolarHBondContact O-N 3.29Å; M91-Y94 VanDerWaalsContact O-N 3.15Å; M91-Y94 HydrophobicContact SD-CD2 4.28Å; M91-Y94 HydrophobicContact SD-CE2 4.49Å; M91-L95 PolarHBondContact O-N 2.85Å; M91-L133 HydrophobicContact CB-CD2 3.47Å; M91-L133 VanDerWaalsContact CB-CD2 3.47Å; M91-L133 HydrophobicContact CE-CD1 3.75Å; M91-L133 HydrophobicContact CE-CD2 4.47Å; M91-L133 HydrophobicContact CG-CD1 4.29Å; M91-L133 HydrophobicContact CG-CD2 3.89Å
92T89.6Confident81.8Confident46 Ų4651.6 Ų51.628%0.28225%0.254SS..Hα-helixtrans-54.2-45-178.6-680000114N88 Y94 L95 K96N88-T92 WeakPolarHBondContact O-CB 3.46Å; N88-T92 PolarHBondContact O-N 3.34Å; N88-T92 PolarHBondContact O-OG1 3.41Å; T92-Y94 VanDerWaalsContact C-N 3.33Å; T92-Y94 PolarHBondContact O-N 2.69Å; T92-L95 PolarHBondContact O-N 3.24Å; T92-K96 HydrophobicContact CG2-CD 4.22Å; T92-K96 HydrophobicContact CG2-CG 4.45Å; T92-K96 WeakPolarHBondContact O-CG 3.47Å; T92-K96 PolarHBondContact O-N 3.03Å
93P91.6Very high83.6Confident6 Ų647.5 Ų47.54%0.03923%0.232CC..Hα-helixtrans-59.1-39177-26.135.6000113.7V25 F26 L29 M89 E90 K96 I97V25-P93 HydrophobicContact CG1-CB 4.08Å; V25-P93 HydrophobicContact CG2-CB 3.88Å; F26-P93 HydrophobicContact CD1-CG 4.5Å; F26-P93 HydrophobicContact CE1-CB 4.41Å; F26-P93 HydrophobicContact CE1-CG 3.79Å; F26-P93 HydrophobicContact CE2-CG 4.3Å; F26-P93 HydrophobicContact CZ-CG 3.66Å; L29-P93 HydrophobicContact CD2-CB 4.46Å; M89-P93 VanDerWaalsContact O-CD 3.28Å; M89-P93 WeakPolarHBondContact O-CD 3.37Å; E90-P93 WeakPolarHBondContact O-CD 3.42Å; P93-K96 PolarHBondContact O-N 3.25Å; P93-I97 WeakPolarHBondContact O-CG1 3.45Å; P93-I97 PolarHBondContact O-N 3.05Å
94Y94.1Very high85Confident7 Ų748.9 Ų48.93%0.02724%0.238CC..Hα-helixtrans-67-43.2178.6-57-82.1000111.6L13 R21 V25 I66 V69 M70 E90 M91 T92 K96 I97 L98L13-Y94 HydrophobicContact CD2-CE1 4.15Å; R21-Y94 WeakPolarHBondContact CD-OH 3.37Å; R21-Y94 WeakPolarHBondContact CG-OH 3.36Å; V25-Y94 HydrophobicContact CB-CE1 3.96Å; V25-Y94 HydrophobicContact CG2-CD1 3.57Å; V25-Y94 HydrophobicContact CG2-CD2 4.45Å; V25-Y94 HydrophobicContact CG2-CE1 3.47Å; V25-Y94 VanDerWaalsContact CG2-CE1 3.47Å; V25-Y94 HydrophobicContact CG2-CE2 4.41Å; V25-Y94 HydrophobicContact CG2-CG 4.09Å; I66-Y94 HydrophobicContact CD1-CD1 4.09Å; I66-Y94 HydrophobicContact CG2-CD1 4.21Å; V69-Y94 HydrophobicContact CB-CE1 4.46Å; V69-Y94 HydrophobicContact CG1-CD1 4.41Å; V69-Y94 HydrophobicContact CG1-CE1 3.58Å; M70-Y94 HydrophobicContact CG-CD1 4.38Å; M70-Y94 HydrophobicContact CG-CD2 4.47Å; M70-Y94 HydrophobicContact CG-CG 3.97Å; E90-Y94 VanDerWaalsContact O-CD2 3.3Å; E90-Y94 WeakPolarHBondContact O-CD2 3.45Å; E90-Y94 WeakPolarHBondContact O-CE2 3.35Å; M91-Y94 PolarHBondContact O-N 3.29Å; M91-Y94 VanDerWaalsContact O-N 3.15Å; M91-Y94 HydrophobicContact SD-CD2 4.28Å; M91-Y94 HydrophobicContact SD-CE2 4.49Å; T92-Y94 VanDerWaalsContact C-N 3.33Å; T92-Y94 PolarHBondContact O-N 2.69Å; Y94-K96 VanDerWaalsContact C-N 3.32Å; Y94-K96 PolarHBondContact O-N 2.92Å; Y94-I97 WeakPolarHBondContact O-CB 3.48Å; Y94-I97 PolarHBondContact O-N 3.43Å; Y94-L98 WeakPolarHBondContact O-CG 3.24Å; Y94-L98 PolarHBondContact O-N 2.83Å
95L92.6Very high86.1Confident13 Ų1343.2 Ų43.27%0.06821%0.212CC..Hα-helixtrans-60.4-42.7174-68.3172.5000111.5M70 M91 T92 I97 L98 Q99 L133 L137M70-L95 HydrophobicContact CE-CD2 3.87Å; M70-L95 HydrophobicContact CE-CG 4.21Å; M91-L95 PolarHBondContact O-N 2.85Å; T92-L95 PolarHBondContact O-N 3.24Å; L95-I97 VanDerWaalsContact C-N 3.33Å; L95-I97 PolarHBondContact O-N 3.28Å; L95-L98 PolarHBondContact O-N 2.99Å; L95-Q99 VanDerWaalsContact O-CG 3.29Å; L95-Q99 WeakPolarHBondContact O-CG 3.31Å; L95-Q99 PolarHBondContact O-N 3.38Å; L95-L133 HydrophobicContact CD1-CD2 4.44Å; L95-L137 HydrophobicContact CD2-CD2 3.6Å; L95-L137 HydrophobicContact CD2-CG 4.05Å
96K93.6Very high87Confident104 Ų10439.5 Ų39.545%0.45219%0.186SC..Hα-helixtrans-62-40174.9-74.3-179176.5-177.90112.1L29 T92 P93 Y94 Q99 I100L29-K96 HydrophobicContact CD1-CB 3.86Å; L29-K96 HydrophobicContact CD2-CB 4.45Å; L29-K96 HydrophobicContact CD2-CD 4.33Å; T92-K96 HydrophobicContact CG2-CD 4.22Å; T92-K96 HydrophobicContact CG2-CG 4.45Å; T92-K96 WeakPolarHBondContact O-CG 3.47Å; T92-K96 PolarHBondContact O-N 3.03Å; P93-K96 PolarHBondContact O-N 3.25Å; Y94-K96 VanDerWaalsContact C-N 3.32Å; Y94-K96 PolarHBondContact O-N 2.92Å; K96-Q99 PolarHBondContact O-N 2.83Å; K96-I100 VanDerWaalsContact O-CG1 3.28Å; K96-I100 WeakPolarHBondContact O-CG1 3.29Å; K96-I100 PolarHBondContact O-N 2.68Å
97I95.1Very high87.6Confident0 Ų035.2 Ų35.20%017%0.172CC..Hα-helixtrans-60.2-51.3174-71.8166.3000109.9V25 L28 L29 L32 I62 I66 P93 Y94 L95 Q99 I100 V101V25-I97 HydrophobicContact CG2-CD1 3.51Å; L28-I97 HydrophobicContact CB-CD1 4.33Å; L28-I97 HydrophobicContact CD2-CD1 4.03Å; L28-I97 HydrophobicContact CG-CD1 4.12Å; L29-I97 HydrophobicContact CB-CD1 4.29Å; L29-I97 HydrophobicContact CB-CG1 4.05Å; L29-I97 HydrophobicContact CD1-CG1 3.98Å; L32-I97 HydrophobicContact CD1-CB 4.38Å; L32-I97 HydrophobicContact CD1-CG1 4.21Å; L32-I97 HydrophobicContact CD1-CG2 3.65Å; I62-I97 HydrophobicContact CG2-CG2 4.06Å; I66-I97 HydrophobicContact CD1-CD1 4.1Å; I66-I97 HydrophobicContact CD1-CG2 4.11Å; I66-I97 HydrophobicContact CG1-CG2 3.98Å; P93-I97 WeakPolarHBondContact O-CG1 3.45Å; P93-I97 PolarHBondContact O-N 3.05Å; Y94-I97 WeakPolarHBondContact O-CB 3.48Å; Y94-I97 PolarHBondContact O-N 3.43Å; L95-I97 VanDerWaalsContact C-N 3.33Å; L95-I97 PolarHBondContact O-N 3.28Å; I97-Q99 VanDerWaalsContact C-N 3.28Å; I97-Q99 PolarHBondContact O-N 2.68Å; I97-I100 WeakPolarHBondContact O-CB 3.47Å; I97-I100 PolarHBondContact O-N 2.82Å; I97-V101 WeakPolarHBondContact O-CG2 3.43Å; I97-V101 PolarHBondContact O-N 3.22Å
98L95.3Very high87.7Confident0 Ų035.7 Ų35.70%018%0.179CC..Hα-helixtrans-59.4-37.9178.4-67.7174.3000112.3I63 I66 M70 Y94 L95 V101 A102 F117 T140I63-L98 HydrophobicContact CG1-CD2 4.32Å; I63-L98 HydrophobicContact CG2-CD2 4.38Å; I66-L98 HydrophobicContact CB-CD2 4.22Å; I66-L98 HydrophobicContact CG2-CD1 4.21Å; I66-L98 HydrophobicContact CG2-CD2 3.88Å; I66-L98 HydrophobicContact CG2-CG 3.82Å; M70-L98 HydrophobicContact SD-CD1 3.89Å; Y94-L98 WeakPolarHBondContact O-CG 3.24Å; Y94-L98 PolarHBondContact O-N 2.83Å; L95-L98 PolarHBondContact O-N 2.99Å; L98-V101 PolarHBondContact O-N 3.23Å; L98-A102 WeakPolarHBondContact O-CB 3.12Å; L98-A102 PolarHBondContact O-N 2.85Å; L98-F117 HydrophobicContact CD1-CD2 4.12Å; L98-F117 HydrophobicContact CD1-CE2 3.66Å; L98-F117 HydrophobicContact CD1-CZ 4.45Å; L98-T140 HydrophobicContact CB-CG2 3.56Å; L98-T140 HydrophobicContact CD1-CG2 4.48Å
99Q92.8Very high87.6Confident62 Ų6238 Ų3829%0.2919%0.191SC..Hα-helixtrans-64.5-39.4173.8-73172-4.800112.7L95 K96 I97 V101 A102 L103 T140L95-Q99 VanDerWaalsContact O-CG 3.29Å; L95-Q99 WeakPolarHBondContact O-CG 3.31Å; L95-Q99 PolarHBondContact O-N 3.38Å; K96-Q99 PolarHBondContact O-N 2.83Å; I97-Q99 VanDerWaalsContact C-N 3.28Å; I97-Q99 PolarHBondContact O-N 2.68Å; Q99-V101 VanDerWaalsContact C-N 3.32Å; Q99-A102 PolarHBondContact O-N 3.09Å; Q99-L103 WeakPolarHBondContact O-CB 3.49Å; Q99-L103 VanDerWaalsContact O-CG 3.26Å; Q99-L103 WeakPolarHBondContact O-CG 3.33Å; Q99-L103 PolarHBondContact O-N 2.88Å; Q99-T140 HydrophobicContact CG-CG2 4.25Å
100I92.4Very high87.7Confident21 Ų2134.8 Ų34.811%0.10817%0.172CC..Hα-helixtrans-63.9-41.6173.2-66.8167.4000110L29 L32 Q33 K96 I97 A102 L103 H104L29-I100 HydrophobicContact CD1-CD1 3.54Å; L32-I100 HydrophobicContact CB-CD1 4.3Å; L32-I100 HydrophobicContact CB-CG2 4.02Å; Q33-I100 HydrophobicContact CG-CD1 4.2Å; K96-I100 VanDerWaalsContact O-CG1 3.28Å; K96-I100 WeakPolarHBondContact O-CG1 3.29Å; K96-I100 PolarHBondContact O-N 2.68Å; I97-I100 WeakPolarHBondContact O-CB 3.47Å; I97-I100 PolarHBondContact O-N 2.82Å; I100-A102 VanDerWaalsContact C-N 3.33Å; I100-A102 PolarHBondContact O-N 3.22Å; I100-L103 PolarHBondContact O-N 2.67Å; I100-H104 WeakPolarHBondContact O-CB 3.24Å; I100-H104 PolarHBondContact O-CD2 2.88Å; I100-H104 VanDerWaalsContact O-CD2 3.28Å; I100-H104 PolarHBondContact O-N 3.25Å
101V92.5Very high87.8Confident0 Ų033.1 Ų33.10%017%0.166CC..Hα-helixtrans-62.1-42.9174.4-176.90000110.7W59 I62 I63 I97 L98 Q99 L103 H104 G105 S106 I112 F144W59-V101 HydrophobicContact CB-CG1 4.07Å; W59-V101 HydrophobicContact CD2-CG1 4.29Å; W59-V101 HydrophobicContact CE3-CB 4.17Å; W59-V101 HydrophobicContact CE3-CG1 3.75Å; W59-V101 HydrophobicContact CE3-CG2 3.83Å; W59-V101 HydrophobicContact CG-CG1 4.47Å; W59-V101 HydrophobicContact CZ3-CG2 4.02Å; I62-V101 HydrophobicContact CG2-CG2 3.91Å; I63-V101 HydrophobicContact CD1-CG1 3.7Å; I63-V101 HydrophobicContact CG1-CB 4.4Å; I63-V101 HydrophobicContact CG1-CG1 3.74Å; I97-V101 WeakPolarHBondContact O-CG2 3.43Å; I97-V101 PolarHBondContact O-N 3.22Å; L98-V101 PolarHBondContact O-N 3.23Å; Q99-V101 VanDerWaalsContact C-N 3.32Å; V101-L103 PolarHBondContact O-N 3.24Å; V101-H104 PolarHBondContact O-N 3.1Å; V101-G105 WeakPolarHBondContact O-CA 3.03Å; V101-G105 PolarHBondContact O-N 3.36Å; V101-S106 PolarHBondContact O-N 3.29Å; V101-I112 HydrophobicContact CG1-CD1 4.45Å; V101-F144 HydrophobicContact CB-CZ 4.33Å; V101-F144 HydrophobicContact CG1-CE1 4.19Å; V101-F144 HydrophobicContact CG1-CZ 4.31Å
102A89.4Confident87.9Confident0 Ų033.2 Ų33.20%017%0.167CC..Hα-helixtrans-61.1-43.5176.800000112.4L98 Q99 I100 S106 V143 F144 E147L98-A102 WeakPolarHBondContact O-CB 3.12Å; L98-A102 PolarHBondContact O-N 2.85Å; Q99-A102 PolarHBondContact O-N 3.09Å; I100-A102 VanDerWaalsContact C-N 3.33Å; I100-A102 PolarHBondContact O-N 3.22Å; A102-S106 WeakPolarHBondContact CA-OG 3.47Å; A102-S106 VanDerWaalsContact O-CB 3.23Å; A102-S106 WeakPolarHBondContact O-CB 3.48Å; A102-S106 PolarHBondContact O-OG 3.23Å; A102-V143 HydrophobicContact CB-CB 4.1Å; A102-V143 HydrophobicContact CB-CG1 3.57Å; A102-F144 VanDerWaalsContact CA-CE1 3.44Å; A102-F144 HydrophobicContact CB-CB 4.31Å; A102-F144 HydrophobicContact CB-CD1 3.52Å; A102-F144 HydrophobicContact CB-CD2 3.82Å; A102-F144 HydrophobicContact CB-CE1 3.66Å; A102-F144 HydrophobicContact CB-CE2 3.95Å; A102-F144 HydrophobicContact CB-CG 3.6Å; A102-F144 HydrophobicContact CB-CZ 3.87Å; A102-E147 WeakPolarHBondContact O-CB 3.29Å
103L88.1Confident88Confident65 Ų6533.7 Ų33.734%0.3417%0.168SC..Hα-helixtrans-71.5-28.9-178.5-73.8165.8000114.6Q99 I100 V101 K107 V143 E147Q99-L103 WeakPolarHBondContact O-CB 3.49Å; Q99-L103 VanDerWaalsContact O-CG 3.26Å; Q99-L103 WeakPolarHBondContact O-CG 3.33Å; Q99-L103 PolarHBondContact O-N 2.88Å; I100-L103 PolarHBondContact O-N 2.67Å; V101-L103 PolarHBondContact O-N 3.24Å; L103-K107 VanDerWaalsContact O-CD 3.32Å; L103-K107 WeakPolarHBondContact O-CD 3.41Å; L103-K107 VanDerWaalsContact O-CE 3.22Å; L103-K107 WeakPolarHBondContact O-CE 3.35Å; L103-K107 PolarHBondContact O-NZ 3.35Å; L103-V143 HydrophobicContact CD2-CG1 4.11Å; L103-V143 HydrophobicContact CG-CG1 4.04Å; L103-E147 HydrophobicContact CD2-CG 3.93Å
104H88.1Confident88.1Confident63 Ų6333.4 Ų33.429%0.29217%0.166SC..Hα-helixtrans-119.5-40.1-171.4-64.3-68.6000113.7R38 W59 I100 V101R38-H104 WeakPolarHBondContact CD-CD2 3.46Å; R38-H104 VanDerWaalsContact CD-CG 3.44Å; R38-H104 PolarHBondContact NE-CE1 3.49Å; R38-H104 PolarHBondContact NE-NE2 3.43Å; W59-H104 HydrophobicContact CH2-CB 4.42Å; W59-H104 HydrophobicContact CZ2-CB 4.38Å; I100-H104 WeakPolarHBondContact O-CB 3.24Å; I100-H104 PolarHBondContact O-CD2 2.88Å; I100-H104 VanDerWaalsContact O-CD2 3.28Å; I100-H104 PolarHBondContact O-N 3.25Å; V101-H104 PolarHBondContact O-N 3.1Å
105G85.3Confident88.1Confident2 Ų234 Ų342%0.02117%0.169CC..Hα-helixtrans-67.5-41.4176.900000112.2V101 K107 G108V101-G105 WeakPolarHBondContact O-CA 3.03Å; V101-G105 PolarHBondContact O-N 3.36Å; G105-K107 PolarHBondContact O-N 2.9Å; G105-G108 PolarHBondContact O-N 2.9Å; G105-G108 VanDerWaalsContact O-N 3.14Å
106S83Confident88Confident1 Ų137.9 Ų37.91%0.00719%0.187CC..THydrogen-bonded Turntrans-68.9-8.7-176.2-38.70000114.3V101 A102 I112 T152V101-S106 PolarHBondContact O-N 3.29Å; A102-S106 WeakPolarHBondContact CA-OG 3.47Å; A102-S106 VanDerWaalsContact O-CB 3.23Å; A102-S106 WeakPolarHBondContact O-CB 3.48Å; A102-S106 PolarHBondContact O-OG 3.23Å; S106-I112 VanDerWaalsContact N-CD1 3.35Å; S106-T152 PolarHBondContact O-OG1 3.48Å
107K79.4Confident88.1Confident86 Ų8632.9 Ų32.937%0.37417%0.166SC..THydrogen-bonded Turntrans-87.4-9.4177.4-66.6-177.4175.1153.30113.6L103 G105 E147L103-K107 VanDerWaalsContact O-CD 3.32Å; L103-K107 WeakPolarHBondContact O-CD 3.41Å; L103-K107 VanDerWaalsContact O-CE 3.22Å; L103-K107 WeakPolarHBondContact O-CE 3.35Å; L103-K107 PolarHBondContact O-NZ 3.35Å; G105-K107 PolarHBondContact O-N 2.9Å; K107-E147 WeakPolarHBondContact CE-OE2 3.33Å; K107-E147 IonicContact NZ-OE2 2.67Å; K107-E147 PolarHBondContact NZ-OE2 2.92Å
108G73.8Confident88.1Confident17 Ų1732.9 Ų32.918%0.17517%0.166CC..SBendtrans-67.5166.4174.900000112.3G105 Y110G105-G108 PolarHBondContact O-N 2.9Å; G105-G108 VanDerWaalsContact O-N 3.14Å; G108-Y110 PolarHBondContact O-N 3.06Å
109D73.7Confident88Confident116 Ų11636 Ų3662%0.6218%0.182SC*.SBendtrans-81.2-4.2178.9-61.2-36.4000112.8R149D109-R149 IonicContact OD1-CZ 3.94Å; D109-R149 IonicContact OD1-NH1 3.58Å; D109-R149 PolarHBondContact OD1-NH1 3.49Å
110Y81.3Confident88.1Confident62 Ų6233.2 Ų33.224%0.24317%0.169CC..SBendtrans-116.3149.9-174.8-59.7-72.2000112.4D46 Y49 Q50 G108D46-Y110 VanDerWaalsContact CA-CE2 3.41Å; D46-Y110 HydrophobicContact CB-CD2 3.88Å; D46-Y110 HydrophobicContact CB-CE2 3.4Å; D46-Y110 WeakPolarHBondContact OD1-CD2 3.44Å; D46-Y110 WeakPolarHBondContact OD1-CE2 3.04Å; Y49-Y110 AromaticContact CD1-CD1 3.03Å; Y49-Y110 HydrophobicContact CD1-CD1 3.03Å; Y49-Y110 AromaticContact CD1-CE1 3.18Å; Y49-Y110 HydrophobicContact CD1-CE1 3.18Å; Y49-Y110 HydrophobicContact CD1-CG 4.02Å; Y49-Y110 AromaticContact CD2-CD1 3.9Å; Y49-Y110 HydrophobicContact CD2-CD1 3.9Å; Y49-Y110 HydrophobicContact CD2-CG 4.3Å; Y49-Y110 AromaticContact CE1-CD1 3.47Å; Y49-Y110 HydrophobicContact CE1-CD1 3.47Å; Y49-Y110 VanDerWaalsContact CE1-CD1 3.47Å; Y49-Y110 AromaticContact CE1-CE1 3.69Å; Y49-Y110 HydrophobicContact CE1-CE1 3.69Å; Y49-Y110 HydrophobicContact CE2-CD1 4.28Å; Y49-Y110 AromaticContact CG-CD1 3.25Å; Y49-Y110 HydrophobicContact CG-CD1 3.25Å; Y49-Y110 AromaticContact CG-CE1 3.81Å; Y49-Y110 HydrophobicContact CG-CE1 3.81Å; Y49-Y110 AromaticContact CG-CG 3.78Å; Y49-Y110 HydrophobicContact CG-CG 3.78Å; Q50-Y110 PolarHBondContact NE2-OH 3.48Å; G108-Y110 PolarHBondContact O-N 3.06Å
111P84.6Confident88.2Confident23 Ų2332.2 Ų32.215%0.14916%0.164CC..PPolyproline II helixtrans-74.1138.2-168.827.5-35000114.3Y49 N60 T152 I154Y49-P111 HydrophobicContact CD2-CG 4.32Å; Y49-P111 VanDerWaalsContact CE2-CD 3.43Å; Y49-P111 HydrophobicContact CE2-CG 3.63Å; N60-P111 PolarHBondContact ND2-O 3.06Å; P111-T152 CarbonylContact C-O 3.58Å; P111-T152 VanDerWaalsContact CA-O 3.22Å; P111-T152 WeakPolarHBondContact CA-O 3.36Å; P111-I154 HydrophobicContact CB-CD1 3.53Å; P111-I154 HydrophobicContact CB-CG1 3.71Å; P111-I154 HydrophobicContact CG-CD1 3.63Å; P111-I154 HydrophobicContact CG-CG1 4.3Å
112I89.3Confident88.2Confident4 Ų433 Ų332%0.02117%0.168CC..EExtended strand (participates in β ladder)trans-89.9128.6167.7-70-172.9000109.9W59 N60 I63 V101 S106 L114 F144 T152 L153 I154W59-I112 HydrophobicContact CB-CD1 4.45Å; N60-I112 VanDerWaalsContact OD1-CA 3.24Å; N60-I112 WeakPolarHBondContact OD1-CA 3.49Å; I63-I112 HydrophobicContact CD1-CG2 3.43Å; I63-I112 VanDerWaalsContact CD1-CG2 3.43Å; V101-I112 HydrophobicContact CG1-CD1 4.45Å; S106-I112 VanDerWaalsContact N-CD1 3.35Å; I112-L114 HydrophobicContact CG2-CD2 3.77Å; I112-L114 HydrophobicContact CG2-CG 4.2Å; I112-F144 HydrophobicContact CD1-CE1 4.37Å; I112-F144 HydrophobicContact CG2-CE1 4.23Å; I112-T152 PolarHBondContact N-O 3.34Å; I112-L153 HydrophobicContact CB-CD2 4.03Å; I112-L153 HydrophobicContact CG2-CD2 4.34Å; I112-I154 PolarHBondContact O-N 2.91Å
113N91.2Very high88.3Confident55 Ų5538.2 Ų38.229%0.29419%0.192SC..EExtended strand (participates in β ladder)trans-88.1117.7175.3-169.6-22.3000110.8N60 N115 I154N60-N113 PolarHBondContact OD1-N 3.1Å; N113-N115 WeakPolarHBondContact OD1-CB 3.4Å; N113-N115 VanDerWaalsContact OD1-CG 3.22Å; N113-N115 PolarHBondContact OD1-N 3.06Å; N113-N115 PolarHBondContact OD1-ND2 3.12Å; N113-I154 HydrophobicContact CB-CB 4.42Å
114L93.9Very high88.4Confident1 Ų135.9 Ų35.91%0.00518%0.18CC..  trans-1043.2179.3-64.1-177.9000113.5I112 E116 F117 A118 F144 L153 I154 L155I112-L114 HydrophobicContact CG2-CD2 3.77Å; I112-L114 HydrophobicContact CG2-CG 4.2Å; L114-E116 PolarHBondContact O-N 3.47Å; L114-F117 PolarHBondContact O-N 2.83Å; L114-A118 VanDerWaalsContact O-CB 3.29Å; L114-A118 WeakPolarHBondContact O-CB 3.45Å; L114-A118 PolarHBondContact O-N 3.05Å; L114-F144 HydrophobicContact CD1-CB 3.89Å; L114-F144 HydrophobicContact CD1-CG 4.24Å; L114-F144 HydrophobicContact CD2-CB 4.4Å; L114-F144 HydrophobicContact CD2-CD1 3.8Å; L114-F144 HydrophobicContact CD2-CD2 4.02Å; L114-F144 HydrophobicContact CD2-CE1 4Å; L114-F144 HydrophobicContact CD2-CE2 4.21Å; L114-F144 HydrophobicContact CD2-CG 3.83Å; L114-F144 HydrophobicContact CD2-CZ 4.21Å; L114-L153 HydrophobicContact CD1-CD1 4.05Å; L114-L153 HydrophobicContact CD1-CD2 3.73Å; L114-L153 HydrophobicContact CD1-CG 4.36Å; L114-L153 HydrophobicContact CG-CD2 4.13Å; L114-I154 PolarHBondContact N-O 3.29Å; L114-L155 HydrophobicContact CB-CD1 4.38Å
115N94.3Very high88.4Confident18 Ų1833.8 Ų33.810%0.09617%0.171CC..Hα-helixtrans-56.1-51-175.3-71.1-24.1000112.7N113 F117 A118 L119 L155 D156 Y159N113-N115 WeakPolarHBondContact OD1-CB 3.4Å; N113-N115 VanDerWaalsContact OD1-CG 3.22Å; N113-N115 PolarHBondContact OD1-N 3.06Å; N113-N115 PolarHBondContact OD1-ND2 3.12Å; N115-F117 VanDerWaalsContact C-N 3.33Å; N115-F117 PolarHBondContact O-N 3.11Å; N115-A118 PolarHBondContact O-N 3.37Å; N115-L119 WeakPolarHBondContact O-CB 3.3Å; N115-L119 PolarHBondContact O-N 3.34Å; N115-L155 VanDerWaalsContact OD1-CA 3.31Å; N115-L155 WeakPolarHBondContact OD1-CA 3.47Å; N115-D156 PolarHBondContact ND2-OD1 3.46Å; N115-D156 PolarHBondContact ND2-OD2 2.84Å; N115-D156 VanDerWaalsContact ND2-OD2 3.11Å; N115-D156 PolarHBondContact OD1-N 3.07Å; N115-Y159 HydrophobicContact CB-CD2 3.84Å; N115-Y159 HydrophobicContact CB-CE2 3.83Å; N115-Y159 WeakPolarHBondContact OD1-CD2 3.26Å
116E91.6Very high88.4Confident95 Ų9541.5 Ų41.544%0.44421%0.205SC..Hα-helixtrans-64.1-39.9179-66-166.7162.400111.8E64 L114 F120E64-E116 WeakPolarHBondContact CA-OE2 3.38Å; L114-E116 PolarHBondContact O-N 3.47Å; E116-F120 VanDerWaalsContact O-CB 3.27Å; E116-F120 WeakPolarHBondContact O-CB 3.33Å; E116-F120 PolarHBondContact O-N 2.79Å
117F95.1Very high88.5Confident0 Ų044.8 Ų44.80%022%0.222CC..Hα-helixtrans-68.2-41.8179.2-177.5-115.4000112.1I63 V67 L98 L114 N115 F120 F121 L137 T140 L141 F144I63-F117 HydrophobicContact CG2-CB 4.44Å; V67-F117 HydrophobicContact CG2-CB 4.23Å; V67-F117 HydrophobicContact CG2-CD2 3.82Å; L98-F117 HydrophobicContact CD1-CD2 4.12Å; L98-F117 HydrophobicContact CD1-CE2 3.66Å; L98-F117 HydrophobicContact CD1-CZ 4.45Å; L114-F117 PolarHBondContact O-N 2.83Å; N115-F117 VanDerWaalsContact C-N 3.33Å; N115-F117 PolarHBondContact O-N 3.11Å; F117-F120 PolarHBondContact O-N 3.44Å; F117-F121 WeakPolarHBondContact O-CB 3.33Å; F117-F121 PolarHBondContact O-N 3.38Å; F117-L137 HydrophobicContact CE2-CD2 3.73Å; F117-L137 HydrophobicContact CZ-CD2 4.15Å; F117-T140 HydrophobicContact CE1-CG2 4.23Å; F117-T140 HydrophobicContact CZ-CG2 3.76Å; F117-L141 HydrophobicContact CD1-CD1 4.09Å; F117-L141 HydrophobicContact CE1-CB 3.9Å; F117-L141 HydrophobicContact CE1-CD1 4.05Å; F117-F144 HydrophobicContact CD1-CD2 4.38Å; F117-F144 HydrophobicContact CD1-CE2 4.4Å; F117-F144 HydrophobicContact CE1-CD2 4.18Å; F117-F144 HydrophobicContact CE1-CE2 4.32Å
118A94.3Very high88.7Confident0 Ų049.5 Ų49.50%024%0.242CC..Hα-helixtrans-65-43.717600000111.7L114 N115 F121 L122 L155 L163L114-A118 VanDerWaalsContact O-CB 3.29Å; L114-A118 WeakPolarHBondContact O-CB 3.45Å; L114-A118 PolarHBondContact O-N 3.05Å; N115-A118 PolarHBondContact O-N 3.37Å; A118-F121 PolarHBondContact O-N 2.92Å; A118-L122 WeakPolarHBondContact O-CB 3.34Å; A118-L122 WeakPolarHBondContact O-CG 3.31Å; A118-L122 PolarHBondContact O-N 2.99Å; A118-L155 HydrophobicContact CB-CD1 3.6Å; A118-L163 HydrophobicContact CB-CD1 3.88Å
119L94.2Very high89Confident65 Ų6552.4 Ų52.434%0.3426%0.26SS..Hα-helixtrans-60.3-47.7174.1176.260.3000111.2N115 F121 L122 Q123 Y159N115-L119 WeakPolarHBondContact O-CB 3.3Å; N115-L119 PolarHBondContact O-N 3.34Å; L119-F121 PolarHBondContact O-N 3.28Å; L119-L122 PolarHBondContact O-N 3.26Å; L119-Q123 HydrophobicContact CD1-CG 4.36Å; L119-Q123 WeakPolarHBondContact O-CG 3.4Å; L119-Q123 PolarHBondContact O-N 3.06Å; L119-Y159 HydrophobicContact CB-CD1 4.31Å; L119-Y159 HydrophobicContact CB-CE1 4.02Å; L119-Y159 HydrophobicContact CD1-CE1 4.08Å; L119-Y159 HydrophobicContact CD2-CE1 4.43Å; L119-Y159 HydrophobicContact CG-CE1 4.4Å
120F94Very high89.5Confident4 Ų447.3 Ų47.32%0.01823%0.233CC..Hα-helixtrans-58.3-48.3176.5176.2-118.2000111.2V67 M70 I71 L74 E116 F117 L122 Q123 I124 L137V67-F120 HydrophobicContact CG1-CB 3.82Å; V67-F120 HydrophobicContact CG1-CD1 4.23Å; V67-F120 HydrophobicContact CG1-CG 3.98Å; M70-F120 HydrophobicContact CB-CE1 4.14Å; M70-F120 HydrophobicContact CB-CZ 3.87Å; M70-F120 HydrophobicContact CE-CE1 4Å; M70-F120 HydrophobicContact CE-CZ 4.44Å; M70-F120 HydrophobicContact SD-CE1 4.36Å; I71-F120 HydrophobicContact CB-CE2 4.46Å; I71-F120 HydrophobicContact CD1-CD2 3.96Å; I71-F120 HydrophobicContact CD1-CE2 4.5Å; I71-F120 HydrophobicContact CG1-CD2 3.38Å; I71-F120 HydrophobicContact CG1-CE2 3.46Å; I71-F120 VanDerWaalsContact CG1-CE2 3.46Å; I71-F120 HydrophobicContact CG1-CG 4.31Å; I71-F120 HydrophobicContact CG1-CZ 4.45Å; L74-F120 HydrophobicContact CD1-CE2 3.9Å; L74-F120 HydrophobicContact CD1-CZ 3.67Å; E116-F120 VanDerWaalsContact O-CB 3.27Å; E116-F120 WeakPolarHBondContact O-CB 3.33Å; E116-F120 PolarHBondContact O-N 2.79Å; F117-F120 PolarHBondContact O-N 3.44Å; F120-L122 PolarHBondContact O-N 2.88Å; F120-Q123 PolarHBondContact O-N 3.24Å; F120-I124 HydrophobicContact CD2-CD1 4.36Å; F120-I124 HydrophobicContact CD2-CG1 3.79Å; F120-I124 HydrophobicContact CE1-CG1 4.23Å; F120-I124 HydrophobicContact CE2-CD1 3.71Å; F120-I124 HydrophobicContact CE2-CG1 3.43Å; F120-I124 VanDerWaalsContact CE2-CG1 3.43Å; F120-I124 HydrophobicContact CG-CG1 4.34Å; F120-I124 HydrophobicContact CZ-CD1 4.15Å; F120-I124 HydrophobicContact CZ-CG1 3.69Å; F120-I124 WeakPolarHBondContact O-CB 3.32Å; F120-I124 VanDerWaalsContact O-CG1 3.27Å; F120-I124 WeakPolarHBondContact O-CG1 3.23Å; F120-I124 PolarHBondContact O-N 3.13Å; F120-L137 HydrophobicContact CD1-CD2 4.16Å; F120-L137 HydrophobicContact CE1-CD1 4.04Å; F120-L137 HydrophobicContact CE1-CD2 3.78Å
121F94.9Very high89.6Confident0 Ų046.8 Ų46.80%024%0.241CC..Hα-helixtrans-55.2-52175.3171.8-100.8000112F117 A118 L119 Q123 I124 V125 L137 F138 L141 L163 W166F117-F121 WeakPolarHBondContact O-CB 3.33Å; F117-F121 PolarHBondContact O-N 3.38Å; A118-F121 PolarHBondContact O-N 2.92Å; L119-F121 PolarHBondContact O-N 3.28Å; F121-Q123 PolarHBondContact O-N 3.06Å; F121-I124 PolarHBondContact O-N 2.99Å; F121-I124 VanDerWaalsContact O-N 3.14Å; F121-V125 HydrophobicContact CD1-CG1 4.4Å; F121-V125 HydrophobicContact CD2-CG1 3.74Å; F121-V125 HydrophobicContact CE1-CG1 4.04Å; F121-V125 HydrophobicContact CE2-CG1 3.32Å; F121-V125 HydrophobicContact CG-CG1 4.29Å; F121-V125 HydrophobicContact CZ-CG1 3.5Å; F121-V125 WeakPolarHBondContact O-CG1 3.32Å; F121-V125 VanDerWaalsContact O-CG2 3.31Å; F121-V125 WeakPolarHBondContact O-CG2 3.36Å; F121-V125 PolarHBondContact O-N 2.94Å; F121-L137 HydrophobicContact CD2-CB 3.73Å; F121-L137 HydrophobicContact CE2-CB 4.32Å; F121-F138 HydrophobicContact CE2-CB 3.96Å; F121-F138 HydrophobicContact CE2-CD2 4.47Å; F121-F138 HydrophobicContact CZ-CB 4.41Å; F121-F138 HydrophobicContact CZ-CD2 4.08Å; F121-L141 HydrophobicContact CD1-CD2 4.23Å; F121-L141 HydrophobicContact CE1-CD2 4.36Å; F121-L163 HydrophobicContact CD1-CD2 3.59Å; F121-L163 HydrophobicContact CE1-CD2 3.8Å; F121-W166 HydrophobicContact CE1-CD2 4.33Å; F121-W166 HydrophobicContact CE1-CE3 4.06Å; F121-W166 HydrophobicContact CE1-CH2 4.01Å; F121-W166 HydrophobicContact CE1-CZ2 4.24Å; F121-W166 AromaticContact CE1-CZ3 3.91Å; F121-W166 HydrophobicContact CE1-CZ3 3.91Å; F121-W166 HydrophobicContact CZ-CE3 4.43Å; F121-W166 AromaticContact CZ-CH2 3.57Å; F121-W166 HydrophobicContact CZ-CH2 3.57Å; F121-W166 AromaticContact CZ-CZ2 3.95Å; F121-W166 HydrophobicContact CZ-CZ2 3.95Å; F121-W166 AromaticContact CZ-CZ3 3.83Å; F121-W166 HydrophobicContact CZ-CZ3 3.83Å
122L93.4Very high89.5Confident16 Ų1647.6 Ų47.68%0.08424%0.243CC..Hα-helixtrans-60.8-29.7-179-76.9169.1000113.6A118 L119 F120 K126 D162 L163 W166A118-L122 WeakPolarHBondContact O-CB 3.34Å; A118-L122 WeakPolarHBondContact O-CG 3.31Å; A118-L122 PolarHBondContact O-N 2.99Å; L119-L122 PolarHBondContact O-N 3.26Å; F120-L122 PolarHBondContact O-N 2.88Å; L122-K126 WeakPolarHBondContact O-CG 3.1Å; L122-D162 HydrophobicContact CD1-CB 3.66Å; L122-L163 HydrophobicContact CD1-CD2 4.25Å; L122-L163 HydrophobicContact CD1-CG 4.23Å; L122-L163 HydrophobicContact CD2-CD2 3.87Å; L122-L163 HydrophobicContact CD2-CG 4.48Å; L122-L163 HydrophobicContact CG-CD2 3.86Å; L122-L163 HydrophobicContact CG-CG 4.38Å; L122-W166 HydrophobicContact CD2-CB 3.93Å; L122-W166 HydrophobicContact CD2-CG 4.05Å
123Q91.5Very high89.4Confident109 Ų10947.4 Ų47.451%0.50924%0.242SC..Hα-helixtrans-75.2-46.8173.5-71.5175.2-5.700111.3L119 F120 F121 K126L119-Q123 HydrophobicContact CD1-CG 4.36Å; L119-Q123 WeakPolarHBondContact O-CG 3.4Å; L119-Q123 PolarHBondContact O-N 3.06Å; F120-Q123 PolarHBondContact O-N 3.24Å; F121-Q123 PolarHBondContact O-N 3.06Å; Q123-K126 PolarHBondContact O-N 3.29Å
124I89.6Confident89.4Confident16 Ų1646.2 Ų46.28%0.08223%0.234CC..Hα-helixtrans-67.5-39.9-175.9-68-56000112.6L74 F120 F121 K126 D127 V130 L133 H134 L137L74-I124 HydrophobicContact CD1-CD1 3.56Å; L74-I124 HydrophobicContact CD1-CG1 4.35Å; F120-I124 HydrophobicContact CD2-CD1 4.36Å; F120-I124 HydrophobicContact CD2-CG1 3.79Å; F120-I124 HydrophobicContact CE1-CG1 4.23Å; F120-I124 HydrophobicContact CE2-CD1 3.71Å; F120-I124 HydrophobicContact CE2-CG1 3.43Å; F120-I124 VanDerWaalsContact CE2-CG1 3.43Å; F120-I124 HydrophobicContact CG-CG1 4.34Å; F120-I124 HydrophobicContact CZ-CD1 4.15Å; F120-I124 HydrophobicContact CZ-CG1 3.69Å; F120-I124 WeakPolarHBondContact O-CB 3.32Å; F120-I124 VanDerWaalsContact O-CG1 3.27Å; F120-I124 WeakPolarHBondContact O-CG1 3.23Å; F120-I124 PolarHBondContact O-N 3.13Å; F121-I124 PolarHBondContact O-N 2.99Å; F121-I124 VanDerWaalsContact O-N 3.14Å; I124-K126 PolarHBondContact O-N 3.46Å; I124-D127 PolarHBondContact O-N 3.05Å; I124-V130 HydrophobicContact CD1-CG2 4.33Å; I124-V130 HydrophobicContact CG2-CG2 3.79Å; I124-L133 HydrophobicContact CG2-CB 4.4Å; I124-H134 PolarHBondContact O-NE2 3.3Å; I124-L137 HydrophobicContact CB-CD1 4Å; I124-L137 HydrophobicContact CG1-CD1 4.34Å; I124-L137 HydrophobicContact CG2-CD1 3.58Å
125V88Confident89.2Confident19 Ų1949.8 Ų49.812%0.11525%0.251CS..THydrogen-bonded Turntrans-65.1-19.7179.6-65.90000113.7F121 H134 W166F121-V125 HydrophobicContact CD1-CG1 4.4Å; F121-V125 HydrophobicContact CD2-CG1 3.74Å; F121-V125 HydrophobicContact CE1-CG1 4.04Å; F121-V125 HydrophobicContact CE2-CG1 3.32Å; F121-V125 HydrophobicContact CG-CG1 4.29Å; F121-V125 HydrophobicContact CZ-CG1 3.5Å; F121-V125 WeakPolarHBondContact O-CG1 3.32Å; F121-V125 VanDerWaalsContact O-CG2 3.31Å; F121-V125 WeakPolarHBondContact O-CG2 3.36Å; F121-V125 PolarHBondContact O-N 2.94Å; V125-H134 PolarHBondContact O-CE1 3.43Å; V125-W166 HydrophobicContact CB-CZ2 4.09Å; V125-W166 HydrophobicContact CG1-CZ2 4.08Å; V125-W166 HydrophobicContact CG2-CZ2 4.1Å
126K86.3Confident89Confident165 Ų16549.6 Ų49.672%0.71725%0.253SS*.THydrogen-bonded Turntrans-80.5-22.5173.9-66.3176.9-177.6-179.20112.4L122 Q123 I124L122-K126 WeakPolarHBondContact O-CG 3.1Å; Q123-K126 PolarHBondContact O-N 3.29Å; I124-K126 PolarHBondContact O-N 3.46Å
127D84.9Confident89.1Confident69 Ų6945.1 Ų45.137%0.36923%0.232SC..  trans-89.8109.6-178.7-174.1-5.7000110.8I124 S129 V130 H134I124-D127 PolarHBondContact O-N 3.05Å; D127-S129 PolarHBondContact O-N 3.05Å; D127-S129 VanDerWaalsContact OD1-CB 3.26Å; D127-S129 WeakPolarHBondContact OD1-CB 3.5Å; D127-S129 PolarHBondContact OD1-N 3.26Å; D127-S129 PolarHBondContact OD1-OG 2.67Å; D127-S129 PolarHBondContact OD2-OG 3Å; D127-S129 VanDerWaalsContact OD2-OG 3.08Å; D127-V130 HydrophobicContact CB-CG2 3.68Å; D127-V130 VanDerWaalsContact O-CG2 3.28Å; D127-V130 WeakPolarHBondContact O-CG2 3.34Å; D127-V130 PolarHBondContact O-N 2.65Å; D127-H134 PolarHBondContact O-CE1 2.94Å; D127-H134 PolarHBondContact O-NE2 2.89Å; D127-H134 VanDerWaalsContact O-NE2 3.07Å
128K82.4Confident89Confident186 Ų18645.1 Ų45.181%0.80923%0.233SC*.G310 helixtrans-68.9-21.9178.9-65.4-176.1179.6-179.50112.9V130 A131K128-V130 PolarHBondContact O-N 3.07Å; K128-A131 PolarHBondContact O-N 2.78Å
129S81Confident88.8Confident77 Ų7747.8 Ų47.854%0.53825%0.247SC..G310 helixtrans-69.3-16179.974.30000113.2D127D127-S129 PolarHBondContact O-N 3.05Å; D127-S129 VanDerWaalsContact OD1-CB 3.26Å; D127-S129 WeakPolarHBondContact OD1-CB 3.5Å; D127-S129 PolarHBondContact OD1-N 3.26Å; D127-S129 PolarHBondContact OD1-OG 2.67Å; D127-S129 PolarHBondContact OD2-OG 3Å; D127-S129 VanDerWaalsContact OD2-OG 3.08Å
130V83.4Confident88.8Confident10 Ų1044.7 Ų44.76%0.06123%0.23CC..G310 helixtrans-119.727.1-178.5-66.70000112.2L74 I124 D127 K128 F132 L133 H134L74-V130 HydrophobicContact CD2-CG1 3.85Å; I124-V130 HydrophobicContact CD1-CG2 4.33Å; I124-V130 HydrophobicContact CG2-CG2 3.79Å; D127-V130 HydrophobicContact CB-CG2 3.68Å; D127-V130 VanDerWaalsContact O-CG2 3.28Å; D127-V130 WeakPolarHBondContact O-CG2 3.34Å; D127-V130 PolarHBondContact O-N 2.65Å; K128-V130 PolarHBondContact O-N 3.07Å; V130-F132 HydrophobicContact CB-CE1 4.28Å; V130-F132 HydrophobicContact CG1-CE1 4.32Å; V130-F132 PolarHBondContact O-N 2.82Å; V130-F132 VanDerWaalsContact O-N 3.09Å; V130-L133 HydrophobicContact CB-CD1 4.42Å; V130-L133 WeakPolarHBondContact O-CB 3.46Å; V130-L133 PolarHBondContact O-N 2.83Å; V130-H134 PolarHBondContact O-CD2 3.1Å; V130-H134 VanDerWaalsContact O-CD2 3.3Å
131A83.5Confident88.7Confident50 Ų5044.6 Ų44.641%0.41323%0.23SC..Hα-helixtrans-53.1-32.6-179.200000113.7K128 L133 H134K128-A131 PolarHBondContact O-N 2.78Å; A131-L133 PolarHBondContact O-N 3.38Å; A131-L133 VanDerWaalsContact O-N 3.15Å; A131-H134 WeakPolarHBondContact O-CB 3.26Å; A131-H134 PolarHBondContact O-N 3.49Å; A131-H134 VanDerWaalsContact O-N 3.12Å
132F83.4Confident88.5Confident41 Ų4144.7 Ų44.718%0.1823%0.231CC..Hα-helixtrans-60.4-21.6176.667.8-88.1000113.9E84 L87 N88 V130E84-F132 HydrophobicContact CB-CD1 4.38Å; E84-F132 HydrophobicContact CG-CD1 4.2Å; L87-F132 HydrophobicContact CB-CE1 4.27Å; L87-F132 HydrophobicContact CB-CE2 3.77Å; L87-F132 HydrophobicContact CB-CZ 3.46Å; L87-F132 VanDerWaalsContact CB-CZ 3.46Å; L87-F132 HydrophobicContact CD1-CE1 4.22Å; L87-F132 HydrophobicContact CD1-CZ 3.76Å; L87-F132 HydrophobicContact CG-CZ 4.2Å; N88-F132 HydrophobicContact CB-CD2 3.68Å; N88-F132 HydrophobicContact CB-CE2 4.19Å; N88-F132 HydrophobicContact CB-CG 4.45Å; V130-F132 HydrophobicContact CB-CE1 4.28Å; V130-F132 HydrophobicContact CG1-CE1 4.32Å; V130-F132 PolarHBondContact O-N 2.82Å; V130-F132 VanDerWaalsContact O-N 3.09Å
133L87.3Confident88.4Confident0 Ų045.5 Ų45.50%024%0.236CC..Hα-helixtrans-88-20.9176.9-66.4-179.1000114.1L74 M91 L95 I124 V130 A131 Q135 G136 L137L74-L133 HydrophobicContact CD1-CD1 3.88Å; L74-L133 HydrophobicContact CD2-CD1 3.58Å; L74-L133 HydrophobicContact CG-CD1 4.29Å; M91-L133 HydrophobicContact CB-CD2 3.47Å; M91-L133 VanDerWaalsContact CB-CD2 3.47Å; M91-L133 HydrophobicContact CE-CD1 3.75Å; M91-L133 HydrophobicContact CE-CD2 4.47Å; M91-L133 HydrophobicContact CG-CD1 4.29Å; M91-L133 HydrophobicContact CG-CD2 3.89Å; L95-L133 HydrophobicContact CD1-CD2 4.44Å; I124-L133 HydrophobicContact CG2-CB 4.4Å; V130-L133 HydrophobicContact CB-CD1 4.42Å; V130-L133 WeakPolarHBondContact O-CB 3.46Å; V130-L133 PolarHBondContact O-N 2.83Å; A131-L133 PolarHBondContact O-N 3.38Å; A131-L133 VanDerWaalsContact O-N 3.15Å; L133-Q135 VanDerWaalsContact C-N 3.32Å; L133-Q135 PolarHBondContact O-N 3.26Å; L133-G136 PolarHBondContact O-N 3.47Å; L133-G136 VanDerWaalsContact O-N 3.09Å; L133-L137 HydrophobicContact CB-CD1 4.25Å; L133-L137 PolarHBondContact O-N 3.22Å
134H90.5Very high88.3Confident30 Ų3040.3 Ų40.314%0.13921%0.212CC..Hα-helixtrans-55.9-48.1-169.4-66.6-175000111.3I124 V125 D127 V130 A131 G136 F138I124-H134 PolarHBondContact O-NE2 3.3Å; V125-H134 PolarHBondContact O-CE1 3.43Å; D127-H134 PolarHBondContact O-CE1 2.94Å; D127-H134 PolarHBondContact O-NE2 2.89Å; D127-H134 VanDerWaalsContact O-NE2 3.07Å; V130-H134 PolarHBondContact O-CD2 3.1Å; V130-H134 VanDerWaalsContact O-CD2 3.3Å; A131-H134 WeakPolarHBondContact O-CB 3.26Å; A131-H134 PolarHBondContact O-N 3.49Å; A131-H134 VanDerWaalsContact O-N 3.12Å; H134-G136 PolarHBondContact O-N 3.32Å; H134-F138 WeakPolarHBondContact O-CB 3.33Å; H134-F138 PolarHBondContact O-N 3Å
135Q89.8Confident88.3Confident75 Ų7539.6 Ų39.635%0.3521%0.209SC..Hα-helixtrans-63.1-42178.9-172.666.747.400112.6L133 N139 L177L133-Q135 VanDerWaalsContact C-N 3.32Å; L133-Q135 PolarHBondContact O-N 3.26Å; Q135-N139 PolarHBondContact NE2-ND2 2.92Å; Q135-N139 PolarHBondContact NE2-OD1 3.3Å; Q135-N139 VanDerWaalsContact O-CB 3.31Å; Q135-N139 WeakPolarHBondContact O-CB 3.46Å; Q135-N139 PolarHBondContact O-N 3.36Å; Q135-N139 PolarHBondContact O-ND2 2.88Å; Q135-L177 HydrophobicContact CB-CD2 4.44Å
136G90.2Very high88.1Confident15 Ų1540 Ų4016%0.15521%0.21CC..Hα-helixtrans-66-43.4-177.900000112.3L133 H134 T140L133-G136 PolarHBondContact O-N 3.47Å; L133-G136 VanDerWaalsContact O-N 3.09Å; H134-G136 PolarHBondContact O-N 3.32Å; G136-T140 WeakPolarHBondContact O-CB 3.39Å; G136-T140 PolarHBondContact O-N 3.37Å; G136-T140 VanDerWaalsContact O-N 3.09Å; G136-T140 PolarHBondContact O-OG1 3.03Å
137L93.3Very high88Confident0 Ų034.5 Ų34.50%019%0.187CC..Hα-helixtrans-68.6-44.9176-66.8169.2000111.6M70 L95 F117 F120 F121 I124 L133 N139 T140 L141M70-L137 HydrophobicContact CE-CD2 3.95Å; L95-L137 HydrophobicContact CD2-CD2 3.6Å; L95-L137 HydrophobicContact CD2-CG 4.05Å; F117-L137 HydrophobicContact CE2-CD2 3.73Å; F117-L137 HydrophobicContact CZ-CD2 4.15Å; F120-L137 HydrophobicContact CD1-CD2 4.16Å; F120-L137 HydrophobicContact CE1-CD1 4.04Å; F120-L137 HydrophobicContact CE1-CD2 3.78Å; F121-L137 HydrophobicContact CD2-CB 3.73Å; F121-L137 HydrophobicContact CE2-CB 4.32Å; I124-L137 HydrophobicContact CB-CD1 4Å; I124-L137 HydrophobicContact CG1-CD1 4.34Å; I124-L137 HydrophobicContact CG2-CD1 3.58Å; L133-L137 HydrophobicContact CB-CD1 4.25Å; L133-L137 PolarHBondContact O-N 3.22Å; L137-N139 PolarHBondContact O-N 3.04Å; L137-T140 WeakPolarHBondContact O-CB 3.44Å; L137-T140 PolarHBondContact O-N 3.29Å; L137-T140 VanDerWaalsContact O-N 3.16Å; L137-L141 PolarHBondContact O-N 3.1Å
138F93Very high87.8Confident1 Ų131.3 Ų31.30%0.00417%0.17CC..Hα-helixtrans-55.3-51.3176178.1-89.1000111.4F121 H134 T140 L141 C142 W166 L177 L178 L182F121-F138 HydrophobicContact CE2-CB 3.96Å; F121-F138 HydrophobicContact CE2-CD2 4.47Å; F121-F138 HydrophobicContact CZ-CB 4.41Å; F121-F138 HydrophobicContact CZ-CD2 4.08Å; H134-F138 WeakPolarHBondContact O-CB 3.33Å; H134-F138 PolarHBondContact O-N 3Å; F138-T140 VanDerWaalsContact C-N 3.28Å; F138-T140 PolarHBondContact O-N 3.36Å; F138-L141 PolarHBondContact O-N 3.31Å; F138-C142 VanDerWaalsContact CE1-SG 3.54Å; F138-C142 PolarHBondContact O-N 3.28Å; F138-C142 PolarHBondContact O-SG 2.96Å; F138-W166 HydrophobicContact CD2-CH2 4.19Å; F138-W166 HydrophobicContact CD2-CZ3 4.36Å; F138-W166 HydrophobicContact CE2-CH2 4.46Å; F138-W166 HydrophobicContact CE2-CZ3 4.32Å; F138-L177 HydrophobicContact CB-CD2 4.06Å; F138-L177 HydrophobicContact CD1-CD2 4.47Å; F138-L177 HydrophobicContact CD2-CB 4.33Å; F138-L177 HydrophobicContact CD2-CD1 4.23Å; F138-L177 HydrophobicContact CE2-CB 4.43Å; F138-L177 HydrophobicContact CG-CD2 4.11Å; F138-L178 HydrophobicContact CE1-CB 4.26Å; F138-L178 HydrophobicContact CZ-CB 4.27Å; F138-L178 VanDerWaalsContact CZ-O 3.22Å; F138-L178 WeakPolarHBondContact CZ-O 3.46Å; F138-L182 HydrophobicContact CD2-CD2 4.08Å; F138-L182 HydrophobicContact CE2-CB 3.61Å; F138-L182 HydrophobicContact CE2-CD2 3.68Å; F138-L182 HydrophobicContact CE2-CG 4.26Å; F138-L182 HydrophobicContact CZ-CB 3.72Å
139N91.1Very high87.5Confident55 Ų5528.9 Ų28.929%0.29416%0.156SC..Hα-helixtrans-60.1-40.6178.2-74.3-10.9000111.7Q135 L137 C142 V143Q135-N139 PolarHBondContact NE2-ND2 2.92Å; Q135-N139 PolarHBondContact NE2-OD1 3.3Å; Q135-N139 VanDerWaalsContact O-CB 3.31Å; Q135-N139 WeakPolarHBondContact O-CB 3.46Å; Q135-N139 PolarHBondContact O-N 3.36Å; Q135-N139 PolarHBondContact O-ND2 2.88Å; L137-N139 PolarHBondContact O-N 3.04Å; N139-C142 WeakPolarHBondContact O-CB 3.48Å; N139-C142 PolarHBondContact O-N 2.98Å; N139-V143 VanDerWaalsContact O-CG2 3.29Å; N139-V143 WeakPolarHBondContact O-CG2 3.45Å; N139-V143 PolarHBondContact O-N 3.47Å
140T92.7Very high87.1Confident0 Ų028.5 Ų28.50%015%0.147CC..Hα-helixtrans-63.7-43.2178.6-57.20000111.3L98 Q99 F117 G136 L137 F138 C142 V143 F144L98-T140 HydrophobicContact CB-CG2 3.56Å; L98-T140 HydrophobicContact CD1-CG2 4.48Å; Q99-T140 HydrophobicContact CG-CG2 4.25Å; F117-T140 HydrophobicContact CE1-CG2 4.23Å; F117-T140 HydrophobicContact CZ-CG2 3.76Å; G136-T140 WeakPolarHBondContact O-CB 3.39Å; G136-T140 PolarHBondContact O-N 3.37Å; G136-T140 VanDerWaalsContact O-N 3.09Å; G136-T140 PolarHBondContact O-OG1 3.03Å; L137-T140 WeakPolarHBondContact O-CB 3.44Å; L137-T140 PolarHBondContact O-N 3.29Å; L137-T140 VanDerWaalsContact O-N 3.16Å; F138-T140 VanDerWaalsContact C-N 3.28Å; F138-T140 PolarHBondContact O-N 3.36Å; T140-C142 PolarHBondContact O-N 3.39Å; T140-V143 PolarHBondContact O-N 3.49Å; T140-F144 HydrophobicContact CG2-CD2 4.08Å; T140-F144 HydrophobicContact CG2-CE2 3.81Å; T140-F144 VanDerWaalsContact O-CD2 3.27Å; T140-F144 WeakPolarHBondContact O-CD2 3.27Å; T140-F144 PolarHBondContact O-N 2.96Å
141L93.5Very high86.6Confident2 Ų233.4 Ų33.41%0.0118%0.182CC..Hα-helixtrans-61.3-43.2174.3-174.362.9000111.8F117 F121 L137 F138 V143 F144 L145 L163 L182F117-L141 HydrophobicContact CD1-CD1 4.09Å; F117-L141 HydrophobicContact CE1-CB 3.9Å; F117-L141 HydrophobicContact CE1-CD1 4.05Å; F121-L141 HydrophobicContact CD1-CD2 4.23Å; F121-L141 HydrophobicContact CE1-CD2 4.36Å; L137-L141 PolarHBondContact O-N 3.1Å; F138-L141 PolarHBondContact O-N 3.31Å; L141-V143 VanDerWaalsContact C-N 3.33Å; L141-V143 PolarHBondContact O-N 2.9Å; L141-F144 PolarHBondContact O-N 2.91Å; L141-L145 HydrophobicContact CG-CD1 4.28Å; L141-L145 PolarHBondContact O-N 3.47Å; L141-L145 VanDerWaalsContact O-N 3.12Å; L141-L163 HydrophobicContact CD2-CD1 4.11Å; L141-L163 HydrophobicContact CD2-CD2 4.03Å; L141-L182 HydrophobicContact CD2-CD1 3.8Å; L141-L182 HydrophobicContact CD2-CD2 3.78Å; L141-L182 HydrophobicContact CD2-CG 4.45Å; L141-L182 HydrophobicContact CG-CD1 3.89Å
142C90.7Very high86.5Confident2 Ų231.5 Ų31.51%0.01417%0.165CC..Hα-helixtrans-60.1-41.2173.7-71.50000112.3F138 N139 T140 L145 L146 F185F138-C142 VanDerWaalsContact CE1-SG 3.54Å; F138-C142 PolarHBondContact O-N 3.28Å; F138-C142 PolarHBondContact O-SG 2.96Å; N139-C142 WeakPolarHBondContact O-CB 3.48Å; N139-C142 PolarHBondContact O-N 2.98Å; T140-C142 PolarHBondContact O-N 3.39Å; C142-L145 PolarHBondContact O-N 3.19Å; C142-L146 WeakPolarHBondContact O-CB 3.49Å; C142-L146 PolarHBondContact O-N 3.01Å; C142-F185 HydrophobicContact CB-CD2 4.13Å; C142-F185 HydrophobicContact CB-CE2 4.03Å
143V89.5Confident86.7Confident34 Ų3430 Ų3021%0.20616%0.159CC..Hα-helixtrans-65.5-40.6178.21770000111A102 L103 N139 T140 L141 L145 L146 E147A102-V143 HydrophobicContact CB-CB 4.1Å; A102-V143 HydrophobicContact CB-CG1 3.57Å; L103-V143 HydrophobicContact CD2-CG1 4.11Å; L103-V143 HydrophobicContact CG-CG1 4.04Å; N139-V143 VanDerWaalsContact O-CG2 3.29Å; N139-V143 WeakPolarHBondContact O-CG2 3.45Å; N139-V143 PolarHBondContact O-N 3.47Å; T140-V143 PolarHBondContact O-N 3.49Å; L141-V143 VanDerWaalsContact C-N 3.33Å; L141-V143 PolarHBondContact O-N 2.9Å; V143-L145 PolarHBondContact O-N 2.92Å; V143-L146 PolarHBondContact O-N 3.19Å; V143-E147 HydrophobicContact CG1-CG 3.99Å; V143-E147 WeakPolarHBondContact O-CB 3.24Å; V143-E147 WeakPolarHBondContact O-CG 3.32Å; V143-E147 PolarHBondContact O-N 3.11Å
144F91.3Very high86.7Confident0 Ų033.2 Ų33.20%018%0.175CC..Hα-helixtrans-57.3-50.7174.6-86.1-68.8000111.5I63 V101 A102 I112 L114 F117 T140 L141 L146 A148I63-F144 HydrophobicContact CD1-CE1 3.93Å; I63-F144 HydrophobicContact CD1-CZ 3.9Å; I63-F144 HydrophobicContact CG1-CZ 4.24Å; V101-F144 HydrophobicContact CB-CZ 4.33Å; V101-F144 HydrophobicContact CG1-CE1 4.19Å; V101-F144 HydrophobicContact CG1-CZ 4.31Å; A102-F144 VanDerWaalsContact CA-CE1 3.44Å; A102-F144 HydrophobicContact CB-CB 4.31Å; A102-F144 HydrophobicContact CB-CD1 3.52Å; A102-F144 HydrophobicContact CB-CD2 3.82Å; A102-F144 HydrophobicContact CB-CE1 3.66Å; A102-F144 HydrophobicContact CB-CE2 3.95Å; A102-F144 HydrophobicContact CB-CG 3.6Å; A102-F144 HydrophobicContact CB-CZ 3.87Å; I112-F144 HydrophobicContact CD1-CE1 4.37Å; I112-F144 HydrophobicContact CG2-CE1 4.23Å; L114-F144 HydrophobicContact CD1-CB 3.89Å; L114-F144 HydrophobicContact CD1-CG 4.24Å; L114-F144 HydrophobicContact CD2-CB 4.4Å; L114-F144 HydrophobicContact CD2-CD1 3.8Å; L114-F144 HydrophobicContact CD2-CD2 4.02Å; L114-F144 HydrophobicContact CD2-CE1 4Å; L114-F144 HydrophobicContact CD2-CE2 4.21Å; L114-F144 HydrophobicContact CD2-CG 3.83Å; L114-F144 HydrophobicContact CD2-CZ 4.21Å; F117-F144 HydrophobicContact CD1-CD2 4.38Å; F117-F144 HydrophobicContact CD1-CE2 4.4Å; F117-F144 HydrophobicContact CE1-CD2 4.18Å; F117-F144 HydrophobicContact CE1-CE2 4.32Å; T140-F144 HydrophobicContact CG2-CD2 4.08Å; T140-F144 HydrophobicContact CG2-CE2 3.81Å; T140-F144 VanDerWaalsContact O-CD2 3.27Å; T140-F144 WeakPolarHBondContact O-CD2 3.27Å; T140-F144 PolarHBondContact O-N 2.96Å; L141-F144 PolarHBondContact O-N 2.91Å; F144-L146 VanDerWaalsContact C-N 3.31Å; F144-L146 PolarHBondContact O-N 3.09Å; F144-A148 WeakPolarHBondContact O-CB 3.4Å; F144-A148 PolarHBondContact O-N 3.4Å; F144-A148 VanDerWaalsContact O-N 3.09Å
145L89Confident86.8Confident1 Ų132.4 Ų32.41%0.00517%0.172CC..Hα-helixtrans-69.9-29.1-179.7-63.5161.4000112.5L141 C142 V143 L153 L182 F185 L186 H189L141-L145 HydrophobicContact CG-CD1 4.28Å; L141-L145 PolarHBondContact O-N 3.47Å; L141-L145 VanDerWaalsContact O-N 3.12Å; C142-L145 PolarHBondContact O-N 3.19Å; V143-L145 PolarHBondContact O-N 2.92Å; L145-L153 HydrophobicContact CD2-CD1 3.72Å; L145-L153 HydrophobicContact CG-CD1 4.4Å; L145-L182 HydrophobicContact CD1-CD1 3.38Å; L145-F185 HydrophobicContact CB-CB 3.67Å; L145-F185 HydrophobicContact CB-CG 4.36Å; L145-F185 HydrophobicContact CD1-CB 3.98Å; L145-F185 HydrophobicContact CG-CB 4.42Å; L145-L186 HydrophobicContact CD1-CD2 3.92Å; L145-L186 HydrophobicContact CD1-CG 4.09Å; L145-L186 HydrophobicContact CD2-CD2 4.24Å; L145-H189 HydrophobicContact CD2-CB 4.48Å; L145-H189 PolarHBondContact O-CD2 3.26Å; L145-H189 VanDerWaalsContact O-CD2 3.31Å; L145-H189 PolarHBondContact O-NE2 3.29Å
146L84.5Confident86.8Confident27 Ų2732.5 Ų32.514%0.14118%0.175CC..Hα-helixtrans-72.5-46.1178.3178.262.3000112.1C142 V143 F144 F185 E384C142-L146 WeakPolarHBondContact O-CB 3.49Å; C142-L146 PolarHBondContact O-N 3.01Å; V143-L146 PolarHBondContact O-N 3.19Å; F144-L146 VanDerWaalsContact C-N 3.31Å; F144-L146 PolarHBondContact O-N 3.09Å; L146-F185 HydrophobicContact CB-CE2 4.44Å; L146-F185 HydrophobicContact CB-CZ 4.33Å; L146-F185 HydrophobicContact CD1-CE1 3.96Å; L146-F185 HydrophobicContact CD1-CZ 3.96Å; L146-E384 HydrophobicContact CD1-CB 4.09Å; L146-E384 WeakPolarHBondContact CD1-OE2 3.48Å
147E82.3Confident86.8Confident49 Ų4935.4 Ų35.423%0.22919%0.19CC..Hα-helixtrans-87.5-20-171.2-66.4-75.2146.900113.6A102 L103 K107 V143A102-E147 WeakPolarHBondContact O-CB 3.29Å; L103-E147 HydrophobicContact CD2-CG 3.93Å; K107-E147 WeakPolarHBondContact CE-OE2 3.33Å; K107-E147 IonicContact NZ-OE2 2.67Å; K107-E147 PolarHBondContact NZ-OE2 2.92Å; V143-E147 HydrophobicContact CG1-CG 3.99Å; V143-E147 WeakPolarHBondContact O-CB 3.24Å; V143-E147 WeakPolarHBondContact O-CG 3.32Å; V143-E147 PolarHBondContact O-N 3.11Å
148A81.5Confident86.7Confident2 Ų241.8 Ų41.82%0.01722%0.217CC..SBendtrans-71.7142.4178.800000112.8F144 L153 H189F144-A148 WeakPolarHBondContact O-CB 3.4Å; F144-A148 PolarHBondContact O-N 3.4Å; F144-A148 VanDerWaalsContact O-N 3.09Å; A148-L153 HydrophobicContact CB-CD1 3.46Å; A148-L153 VanDerWaalsContact CB-CD1 3.46Å; A148-L153 HydrophobicContact CB-CD2 3.74Å; A148-L153 HydrophobicContact CB-CG 3.37Å; A148-H189 PolarHBondContact O-CE1 3.49Å
149R77.1Confident86.7Confident136 Ų13643.9 Ų43.951%0.51323%0.226SC..PPolyproline II helixtrans-70.4154.8167.3-63.1-178.6-176.4161.84.2109.7D109 S151 T152D109-R149 IonicContact OD1-CZ 3.94Å; D109-R149 IonicContact OD1-NH1 3.58Å; D109-R149 PolarHBondContact OD1-NH1 3.49Å; R149-S151 PolarHBondContact O-N 3.16Å; R149-T152 HydrophobicContact CB-CG2 3.88Å; R149-T152 PolarHBondContact N-OG1 3.29Å; R149-T152 PolarHBondContact O-N 3.35Å; R149-T152 VanDerWaalsContact O-N 3.16Å; R149-T152 PolarHBondContact O-OG1 2.9Å
150L72.2Confident86.7Confident69 Ų6941.6 Ų41.636%0.36121%0.213SC..THydrogen-bonded Turntrans-55.9138.7171.8-63.6171.7000108.7T152 C373L150-T152 VanDerWaalsContact C-N 3.28Å; L150-T152 PolarHBondContact O-N 3.1Å; L150-C373 HydrophobicContact CD1-CB 4.38Å
151S72.7Confident86.7Confident113 Ų11343.2 Ų43.279%0.7922%0.222SC*.THydrogen-bonded Turntrans70.1-5.2-174.776.50000118.1R149 L153R149-S151 PolarHBondContact O-N 3.16Å; S151-L153 VanDerWaalsContact C-N 3.32Å; S151-L153 PolarHBondContact O-N 3.21Å
152T81.2Confident86.8Confident9 Ų946.5 Ų46.56%0.05524%0.239CC..  trans-89.68.3176.4690000113.8S106 P111 I112 R149 L150S106-T152 PolarHBondContact O-OG1 3.48Å; P111-T152 CarbonylContact C-O 3.58Å; P111-T152 VanDerWaalsContact CA-O 3.22Å; P111-T152 WeakPolarHBondContact CA-O 3.36Å; I112-T152 PolarHBondContact N-O 3.34Å; R149-T152 HydrophobicContact CB-CG2 3.88Å; R149-T152 PolarHBondContact N-OG1 3.29Å; R149-T152 PolarHBondContact O-N 3.35Å; R149-T152 VanDerWaalsContact O-N 3.16Å; R149-T152 PolarHBondContact O-OG1 2.9Å; L150-T152 VanDerWaalsContact C-N 3.28Å; L150-T152 PolarHBondContact O-N 3.1Å
153L87.2Confident87Confident11 Ų1146.4 Ų46.46%0.05824%0.238CC..EExtended strand (participates in β ladder)trans-117.7121.8172.9-67.8-179.1000111.2I112 L114 L145 A148 S151I112-L153 HydrophobicContact CB-CD2 4.03Å; I112-L153 HydrophobicContact CG2-CD2 4.34Å; L114-L153 HydrophobicContact CD1-CD1 4.05Å; L114-L153 HydrophobicContact CD1-CD2 3.73Å; L114-L153 HydrophobicContact CD1-CG 4.36Å; L114-L153 HydrophobicContact CG-CD2 4.13Å; L145-L153 HydrophobicContact CD2-CD1 3.72Å; L145-L153 HydrophobicContact CG-CD1 4.4Å; A148-L153 HydrophobicContact CB-CD1 3.46Å; A148-L153 VanDerWaalsContact CB-CD1 3.46Å; A148-L153 HydrophobicContact CB-CD2 3.74Å; A148-L153 HydrophobicContact CB-CG 3.37Å; S151-L153 VanDerWaalsContact C-N 3.32Å; S151-L153 PolarHBondContact O-N 3.21Å
154I88.7Confident87.2Confident66 Ų6644.8 Ų44.834%0.33823%0.229SC..EExtended strand (participates in β ladder)trans-91.8116168-67.2161.9000108.1P111 I112 N113 L114P111-I154 HydrophobicContact CB-CD1 3.53Å; P111-I154 HydrophobicContact CB-CG1 3.71Å; P111-I154 HydrophobicContact CG-CD1 3.63Å; P111-I154 HydrophobicContact CG-CG1 4.3Å; I112-I154 PolarHBondContact O-N 2.91Å; N113-I154 HydrophobicContact CB-CB 4.42Å; L114-I154 PolarHBondContact N-O 3.29Å
155L90.5Very high87.4Confident13 Ų1348.5 Ų48.57%0.06825%0.245CC..  trans-138.8114.6167.6-173.467000107.8L114 N115 A118 R160 L163 L186 Y190L114-L155 HydrophobicContact CB-CD1 4.38Å; N115-L155 VanDerWaalsContact OD1-CA 3.31Å; N115-L155 WeakPolarHBondContact OD1-CA 3.47Å; A118-L155 HydrophobicContact CB-CD1 3.6Å; L155-R160 HydrophobicContact CD2-CB 3.75Å; L155-R160 HydrophobicContact CD2-CG 4.18Å; L155-R160 HydrophobicContact CG-CB 3.98Å; L155-L163 HydrophobicContact CD2-CD1 3.99Å; L155-L186 HydrophobicContact CD2-CD2 4.12Å; L155-Y190 HydrophobicContact CB-CE2 4.39Å; L155-Y190 WeakPolarHBondContact CB-OH 3.45Å; L155-Y190 HydrophobicContact CD2-CE2 4.04Å
156D91Very high87.7Confident78 Ų7849.5 Ų49.542%0.41725%0.249SC..  trans-59.9147.5-178-62.1-12.1000110.2N115 K158 Y159 R160N115-D156 PolarHBondContact ND2-OD1 3.46Å; N115-D156 PolarHBondContact ND2-OD2 2.84Å; N115-D156 VanDerWaalsContact ND2-OD2 3.11Å; N115-D156 PolarHBondContact OD1-N 3.07Å; D156-K158 PolarHBondContact O-N 3.47Å; D156-Y159 HydrophobicContact CB-CD2 3.87Å; D156-Y159 HydrophobicContact CB-CE2 4.3Å; D156-Y159 PolarHBondContact O-N 2.98Å; D156-R160 WeakPolarHBondContact O-CB 3.29Å; D156-R160 PolarHBondContact O-N 3.48Å
157T89Confident88.2Confident75 Ų7548.2 Ų48.246%0.4624%0.242SC..Hα-helixtrans-46.4-38.6177.9-52.60000112.5N161T157-N161 VanDerWaalsContact O-CB 3.23Å; T157-N161 WeakPolarHBondContact O-CB 3.41Å; T157-N161 PolarHBondContact O-N 2.95Å; T157-N161 PolarHBondContact O-ND2 3.21Å; T157-N161 PolarHBondContact O-OD1 3.42Å
158K91.9Very high88.7Confident134 Ų13445.9 Ų45.958%0.58323%0.231SC*.Hα-helixtrans-60.2-61.6176.8-178.2-174.8175.5-1740111.6D156 R160 N161 D162D156-K158 PolarHBondContact O-N 3.47Å; K158-R160 VanDerWaalsContact C-N 3.31Å; K158-R160 PolarHBondContact O-N 3.2Å; K158-N161 PolarHBondContact O-N 3.39Å; K158-D162 WeakPolarHBondContact O-CB 3.28Å; K158-D162 VanDerWaalsContact O-CG 3.23Å; K158-D162 PolarHBondContact O-N 2.89Å
159Y92.2Very high89.2Confident45 Ų4550 Ų5018%0.17625%0.253CS..Hα-helixtrans-66.3-34.9-176.8-55.7-62.1000112.2N115 L119 D156 D162 L163N115-Y159 HydrophobicContact CB-CD2 3.84Å; N115-Y159 HydrophobicContact CB-CE2 3.83Å; N115-Y159 WeakPolarHBondContact OD1-CD2 3.26Å; L119-Y159 HydrophobicContact CB-CD1 4.31Å; L119-Y159 HydrophobicContact CB-CE1 4.02Å; L119-Y159 HydrophobicContact CD1-CE1 4.08Å; L119-Y159 HydrophobicContact CD2-CE1 4.43Å; L119-Y159 HydrophobicContact CG-CE1 4.4Å; D156-Y159 HydrophobicContact CB-CD2 3.87Å; D156-Y159 HydrophobicContact CB-CE2 4.3Å; D156-Y159 PolarHBondContact O-N 2.98Å; Y159-D162 PolarHBondContact O-N 3.31Å; Y159-L163 WeakPolarHBondContact O-CB 3.49Å; Y159-L163 WeakPolarHBondContact O-CG 3.37Å; Y159-L163 PolarHBondContact O-N 2.92Å
160R92.6Very high89.9Confident7 Ų745.7 Ų45.73%0.02624%0.239CC..Hα-helixtrans-58.5-52.1172.1-176.9-165.168.8-171.37111.4L155 D156 K158 L163 I164 Y190 S193 S195L155-R160 HydrophobicContact CD2-CB 3.75Å; L155-R160 HydrophobicContact CD2-CG 4.18Å; L155-R160 HydrophobicContact CG-CB 3.98Å; D156-R160 WeakPolarHBondContact O-CB 3.29Å; D156-R160 PolarHBondContact O-N 3.48Å; K158-R160 VanDerWaalsContact C-N 3.31Å; K158-R160 PolarHBondContact O-N 3.2Å; R160-L163 PolarHBondContact O-N 3.41Å; R160-I164 HydrophobicContact CG-CD1 4.11Å; R160-I164 WeakPolarHBondContact O-CG1 3.27Å; R160-I164 PolarHBondContact O-N 3.38Å; R160-Y190 VanDerWaalsContact CD-CD2 3.42Å; R160-Y190 HydrophobicContact CG-CD2 3.69Å; R160-Y190 HydrophobicContact CG-CE2 3.98Å; R160-Y190 HydrophobicContact CG-CG 4.17Å; R160-S193 VanDerWaalsContact NH1-CB 3.33Å; R160-S193 PolarHBondContact NH1-OG 3.18Å; R160-S193 VanDerWaalsContact NH1-OG 3.16Å; R160-S195 PolarHBondContact NH2-OG 3.03Å
161N92.7Very high90.7Very high35 Ų3542.9 Ų42.919%0.18722%0.224CC..Hα-helixtrans-66.3-41.1-179.3-70.3-1.3000110.8T157 K158 L163 I164 F165T157-N161 VanDerWaalsContact O-CB 3.23Å; T157-N161 WeakPolarHBondContact O-CB 3.41Å; T157-N161 PolarHBondContact O-N 2.95Å; T157-N161 PolarHBondContact O-ND2 3.21Å; T157-N161 PolarHBondContact O-OD1 3.42Å; K158-N161 PolarHBondContact O-N 3.39Å; N161-L163 VanDerWaalsContact C-N 3.3Å; N161-L163 PolarHBondContact O-N 3.41Å; N161-I164 PolarHBondContact O-N 2.86Å; N161-I164 VanDerWaalsContact O-N 3.11Å; N161-F165 HydrophobicContact CB-CD2 4.3Å; N161-F165 HydrophobicContact CB-CE2 4.09Å; N161-F165 WeakPolarHBondContact O-CD2 3.22Å; N161-F165 PolarHBondContact O-N 3.35Å
162D94.5Very high91.2Very high70 Ų7039.3 Ų39.337%0.37420%0.196SC..Hα-helixtrans-58.4-41.4175.5-69.8-18000111.8L122 K158 Y159 W166L122-D162 HydrophobicContact CD1-CB 3.66Å; K158-D162 WeakPolarHBondContact O-CB 3.28Å; K158-D162 VanDerWaalsContact O-CG 3.23Å; K158-D162 PolarHBondContact O-N 2.89Å; Y159-D162 PolarHBondContact O-N 3.31Å; D162-W166 WeakPolarHBondContact O-CB 3.27Å; D162-W166 PolarHBondContact O-N 3.29Å
163L95.3Very high91.1Very high0 Ų042.3 Ų42.30%022%0.216CC..Hα-helixtrans-65.9-41173.6-76.4173.8000112.6A118 F121 L122 L141 L155 Y159 R160 N161 W166 C167 L186A118-L163 HydrophobicContact CB-CD1 3.88Å; F121-L163 HydrophobicContact CD1-CD2 3.59Å; F121-L163 HydrophobicContact CE1-CD2 3.8Å; L122-L163 HydrophobicContact CD1-CD2 4.25Å; L122-L163 HydrophobicContact CD1-CG 4.23Å; L122-L163 HydrophobicContact CD2-CD2 3.87Å; L122-L163 HydrophobicContact CD2-CG 4.48Å; L122-L163 HydrophobicContact CG-CD2 3.86Å; L122-L163 HydrophobicContact CG-CG 4.38Å; L141-L163 HydrophobicContact CD2-CD1 4.11Å; L141-L163 HydrophobicContact CD2-CD2 4.03Å; L155-L163 HydrophobicContact CD2-CD1 3.99Å; Y159-L163 WeakPolarHBondContact O-CB 3.49Å; Y159-L163 WeakPolarHBondContact O-CG 3.37Å; Y159-L163 PolarHBondContact O-N 2.92Å; R160-L163 PolarHBondContact O-N 3.41Å; N161-L163 VanDerWaalsContact C-N 3.3Å; N161-L163 PolarHBondContact O-N 3.41Å; L163-W166 PolarHBondContact O-N 2.84Å; L163-C167 PolarHBondContact O-N 3.39Å; L163-C167 PolarHBondContact O-SG 3.27Å; L163-L186 HydrophobicContact CB-CD1 3.87Å; L163-L186 HydrophobicContact CD1-CD2 4.32Å
164I94.5Very high90.2Very high0 Ų047.8 Ų47.80%025%0.25CS..Hα-helixtrans-62.6-49.1177.2-71.4168.2000110.6R160 N161 W166 C167 C168 L183 L186 I187 L196 P197 I201R160-I164 HydrophobicContact CG-CD1 4.11Å; R160-I164 WeakPolarHBondContact O-CG1 3.27Å; R160-I164 PolarHBondContact O-N 3.38Å; N161-I164 PolarHBondContact O-N 2.86Å; N161-I164 VanDerWaalsContact O-N 3.11Å; I164-W166 VanDerWaalsContact C-N 3.34Å; I164-C167 WeakPolarHBondContact O-CB 3.45Å; I164-C167 PolarHBondContact O-N 3.12Å; I164-C168 PolarHBondContact O-N 2.92Å; I164-C168 PolarHBondContact O-SG 3.42Å; I164-L183 HydrophobicContact CB-CD1 4.43Å; I164-L183 HydrophobicContact CG1-CD1 4.29Å; I164-L183 HydrophobicContact CG2-CD1 3.99Å; I164-L186 HydrophobicContact CG1-CB 4.35Å; I164-L186 HydrophobicContact CG1-CD1 4.08Å; I164-I187 HydrophobicContact CD1-CD1 4.39Å; I164-L196 HydrophobicContact CD1-CD2 3.62Å; I164-P197 HydrophobicContact CG2-CG 3.76Å; I164-I201 HydrophobicContact CG2-CD1 3.96Å; I164-I201 HydrophobicContact CG2-CG1 3.91Å
165F94.8Very high89.3Confident79 Ų7945.4 Ų45.435%0.34624%0.239SC..Hα-helixtrans-62.4-43.4177.6-72.5-59.5000111.1N161 C167 C168 D169 P197 H200N161-F165 HydrophobicContact CB-CD2 4.3Å; N161-F165 HydrophobicContact CB-CE2 4.09Å; N161-F165 WeakPolarHBondContact O-CD2 3.22Å; N161-F165 PolarHBondContact O-N 3.35Å; F165-C167 VanDerWaalsContact C-N 3.34Å; F165-C167 PolarHBondContact O-N 3.46Å; F165-C168 PolarHBondContact O-N 2.84Å; F165-C168 VanDerWaalsContact O-N 3.15Å; F165-D169 PolarHBondContact O-N 3.11Å; F165-P197 HydrophobicContact CE1-CB 4.38Å; F165-P197 HydrophobicContact CE1-CG 4.49Å; F165-P197 HydrophobicContact CZ-CB 4.14Å; F165-P197 HydrophobicContact CZ-CG 4.26Å; F165-H200 AromaticContact CD1-CD2 3.48Å; F165-H200 VanDerWaalsContact CD1-CD2 3.48Å; F165-H200 WeakPolarHBondContact CD1-CD2 3.45Å; F165-H200 AromaticContact CD1-NE2 3.52Å; F165-H200 HydrophobicContact CE1-CB 4.34Å; F165-H200 AromaticContact CE1-CD2 3.57Å; F165-H200 AromaticContact CE1-CG 3.82Å; F165-H200 AromaticContact CE1-NE2 3.97Å
166W94.6Very high88.6Confident22 Ų2249.2 Ų49.28%0.08327%0.267CS..Hα-helixtrans-57.4-45.3173.7177.985000111.9F121 L122 V125 F138 D162 L163 I164 C168 D169 Q170 L177 L182F121-W166 HydrophobicContact CE1-CD2 4.33Å; F121-W166 HydrophobicContact CE1-CE3 4.06Å; F121-W166 HydrophobicContact CE1-CH2 4.01Å; F121-W166 HydrophobicContact CE1-CZ2 4.24Å; F121-W166 AromaticContact CE1-CZ3 3.91Å; F121-W166 HydrophobicContact CE1-CZ3 3.91Å; F121-W166 HydrophobicContact CZ-CE3 4.43Å; F121-W166 AromaticContact CZ-CH2 3.57Å; F121-W166 HydrophobicContact CZ-CH2 3.57Å; F121-W166 AromaticContact CZ-CZ2 3.95Å; F121-W166 HydrophobicContact CZ-CZ2 3.95Å; F121-W166 AromaticContact CZ-CZ3 3.83Å; F121-W166 HydrophobicContact CZ-CZ3 3.83Å; L122-W166 HydrophobicContact CD2-CB 3.93Å; L122-W166 HydrophobicContact CD2-CG 4.05Å; V125-W166 HydrophobicContact CB-CZ2 4.09Å; V125-W166 HydrophobicContact CG1-CZ2 4.08Å; V125-W166 HydrophobicContact CG2-CZ2 4.1Å; F138-W166 HydrophobicContact CD2-CH2 4.19Å; F138-W166 HydrophobicContact CD2-CZ3 4.36Å; F138-W166 HydrophobicContact CE2-CH2 4.46Å; F138-W166 HydrophobicContact CE2-CZ3 4.32Å; D162-W166 WeakPolarHBondContact O-CB 3.27Å; D162-W166 PolarHBondContact O-N 3.29Å; L163-W166 PolarHBondContact O-N 2.84Å; I164-W166 VanDerWaalsContact C-N 3.34Å; W166-C168 VanDerWaalsContact C-N 3.34Å; W166-C168 PolarHBondContact O-N 3.03Å; W166-D169 PolarHBondContact O-N 3.43Å; W166-Q170 HydrophobicContact CD2-CG 3.74Å; W166-Q170 HydrophobicContact CE3-CG 4.15Å; W166-Q170 HydrophobicContact CG-CG 4.3Å; W166-Q170 HydrophobicContact CH2-CG 3.84Å; W166-Q170 HydrophobicContact CZ2-CG 3.42Å; W166-Q170 VanDerWaalsContact CZ2-CG 3.42Å; W166-Q170 HydrophobicContact CZ3-CG 4.19Å; W166-Q170 WeakPolarHBondContact O-CB 2.99Å; W166-Q170 VanDerWaalsContact O-CG 3.26Å; W166-Q170 WeakPolarHBondContact O-CG 3.04Å; W166-Q170 PolarHBondContact O-N 2.9Å; W166-L177 HydrophobicContact CH2-CD1 3.67Å; W166-L177 HydrophobicContact CZ2-CD1 3.95Å; W166-L182 HydrophobicContact CZ3-CD2 4.07Å
167C94.9Very high88.4Confident0 Ų045.9 Ų45.90%025%0.249CC..Hα-helixtrans-60.1-43.3176.1-67.90000111.8L163 I164 F165 Q170 L171 P179 L183L163-C167 PolarHBondContact O-N 3.39Å; L163-C167 PolarHBondContact O-SG 3.27Å; I164-C167 WeakPolarHBondContact O-CB 3.45Å; I164-C167 PolarHBondContact O-N 3.12Å; F165-C167 VanDerWaalsContact C-N 3.34Å; F165-C167 PolarHBondContact O-N 3.46Å; C167-Q170 PolarHBondContact O-N 3.45Å; C167-L171 WeakPolarHBondContact O-CG 3.4Å; C167-L171 PolarHBondContact O-N 2.98Å; C167-P179 HydrophobicContact CB-CB 4.19Å; C167-L183 HydrophobicContact CB-CB 4.1Å; C167-L183 HydrophobicContact CB-CD1 4.27Å
168C94.3Very high88.3Confident0 Ų044.2 Ų44.20%024%0.237CC..Hα-helixtrans-64.2-40.4178.7-66.20000112.2I164 F165 W166 N172 H200 S204I164-C168 PolarHBondContact O-N 2.92Å; I164-C168 PolarHBondContact O-SG 3.42Å; F165-C168 PolarHBondContact O-N 2.84Å; F165-C168 VanDerWaalsContact O-N 3.15Å; W166-C168 VanDerWaalsContact C-N 3.34Å; W166-C168 PolarHBondContact O-N 3.03Å; C168-N172 PolarHBondContact O-ND2 2.89Å; C168-H200 WeakPolarHBondContact CB-NE2 3.49Å; C168-S204 WeakPolarHBondContact CB-OG 3.34Å
169D92.2Very high88.3Confident88 Ų8837.9 Ų37.947%0.47121%0.21SC..Hα-helixtrans-66.8-44.2174.7-72.1-21.1000111.4F165 W166 L171 N172 C173F165-D169 PolarHBondContact O-N 3.11Å; W166-D169 PolarHBondContact O-N 3.43Å; D169-L171 VanDerWaalsContact C-N 3.31Å; D169-L171 PolarHBondContact O-N 3.25Å; D169-N172 PolarHBondContact O-N 3.44Å; D169-N172 VanDerWaalsContact O-N 3.12Å; D169-C173 PolarHBondContact O-N 3.39Å; D169-C173 PolarHBondContact O-SG 2.9Å
170Q90.9Very high88.3Confident46 Ų4635.8 Ų35.822%0.21520%0.202CC..Hα-helixtrans-66.4-31179.3-70.5-34.1-86.500112.7W166 C167 N172 C173 T175 P179W166-Q170 HydrophobicContact CD2-CG 3.74Å; W166-Q170 HydrophobicContact CE3-CG 4.15Å; W166-Q170 HydrophobicContact CG-CG 4.3Å; W166-Q170 HydrophobicContact CH2-CG 3.84Å; W166-Q170 HydrophobicContact CZ2-CG 3.42Å; W166-Q170 VanDerWaalsContact CZ2-CG 3.42Å; W166-Q170 HydrophobicContact CZ3-CG 4.19Å; W166-Q170 WeakPolarHBondContact O-CB 2.99Å; W166-Q170 VanDerWaalsContact O-CG 3.26Å; W166-Q170 WeakPolarHBondContact O-CG 3.04Å; W166-Q170 PolarHBondContact O-N 2.9Å; C167-Q170 PolarHBondContact O-N 3.45Å; Q170-N172 PolarHBondContact O-N 3.39Å; Q170-C173 PolarHBondContact O-N 3.42Å; Q170-T175 HydrophobicContact CB-CG2 3.97Å; Q170-T175 HydrophobicContact CG-CG2 4.19Å; Q170-P179 HydrophobicContact CB-CB 3.93Å; Q170-P179 HydrophobicContact CB-CG 3.93Å
171L89Confident88.2Confident9 Ų937.7 Ų37.75%0.04721%0.209CC..Hα-helixtrans-61.5-36.6172.7-79.8169.3000111.7C167 D169 C173 P179 A180 L183 L205 F208 N226 V230C167-L171 WeakPolarHBondContact O-CG 3.4Å; C167-L171 PolarHBondContact O-N 2.98Å; D169-L171 VanDerWaalsContact C-N 3.31Å; D169-L171 PolarHBondContact O-N 3.25Å; L171-C173 VanDerWaalsContact C-N 3.28Å; L171-C173 PolarHBondContact O-N 3.37Å; L171-P179 HydrophobicContact CD2-CB 4.48Å; L171-P179 HydrophobicContact CD2-CG 3.79Å; L171-P179 HydrophobicContact CG-CB 4.21Å; L171-P179 HydrophobicContact CG-CG 3.87Å; L171-A180 HydrophobicContact CD2-CB 3.85Å; L171-L183 HydrophobicContact CD1-CD2 4.13Å; L171-L205 HydrophobicContact CD1-CD2 3.99Å; L171-F208 HydrophobicContact CB-CD2 4.26Å; L171-F208 HydrophobicContact CD2-CD2 4.04Å; L171-F208 HydrophobicContact CD2-CE2 4.2Å; L171-F208 WeakPolarHBondContact O-CD2 3.42Å; L171-N226 HydrophobicContact CD2-CB 4.3Å; L171-V230 HydrophobicContact CD2-CG2 4.14Å
172N82.6Confident88.2Confident39 Ų3936 Ų3621%0.20920%0.2CC..THydrogen-bonded Turntrans-83.1-4.9178.6-68.3-60000113.6C168 D169 Q170 K207C168-N172 PolarHBondContact O-ND2 2.89Å; D169-N172 PolarHBondContact O-N 3.44Å; D169-N172 VanDerWaalsContact O-N 3.12Å; Q170-N172 PolarHBondContact O-N 3.39Å; N172-K207 VanDerWaalsContact OD1-CD 3.29Å; N172-K207 WeakPolarHBondContact OD1-CD 3.45Å; N172-K207 VanDerWaalsContact OD1-CG 3.27Å; N172-K207 WeakPolarHBondContact OD1-CG 3.46Å
173C79.5Confident88.1Confident72 Ų7232.7 Ų32.749%0.48618%0.182SC..SBendtrans-109.7156.4178.9-63.30000110.6D169 Q170 L171 T175D169-C173 PolarHBondContact O-N 3.39Å; D169-C173 PolarHBondContact O-SG 2.9Å; Q170-C173 PolarHBondContact O-N 3.42Å; L171-C173 VanDerWaalsContact C-N 3.28Å; L171-C173 PolarHBondContact O-N 3.37Å; C173-T175 HydrophobicContact CB-CG2 3.94Å; C173-T175 PolarHBondContact O-N 3.47Å
174T67.8Low87.9Confident125 Ų12532.8 Ų32.877%0.76718%0.182SC*.  trans-76.794.2171.851.90000109.8
175T70.2Confident87.7Confident16 Ų1633 Ų3310%0.09818%0.183CC..  trans-120.3142.6-179.972.40000110.1Q170 C173 L177 I222Q170-T175 HydrophobicContact CB-CG2 3.97Å; Q170-T175 HydrophobicContact CG-CG2 4.19Å; C173-T175 HydrophobicContact CB-CG2 3.94Å; C173-T175 PolarHBondContact O-N 3.47Å; T175-L177 PolarHBondContact O-N 3.38Å; T175-I222 WeakPolarHBondContact O-CG2 3.28Å
176S76.1Confident87.5Confident93 Ų9329.2 Ų29.265%0.6517%0.167SC*.SBendtrans-76.1-5.9176.260.70000113.6
177L86Confident87.3Confident8 Ų828.1 Ų28.14%0.04216%0.163CC..SBendtrans-82.1167.6-178.8-58177.8000110.4Q135 F138 W166 T175 P179 N226Q135-L177 HydrophobicContact CB-CD2 4.44Å; F138-L177 HydrophobicContact CB-CD2 4.06Å; F138-L177 HydrophobicContact CD1-CD2 4.47Å; F138-L177 HydrophobicContact CD2-CB 4.33Å; F138-L177 HydrophobicContact CD2-CD1 4.23Å; F138-L177 HydrophobicContact CE2-CB 4.43Å; F138-L177 HydrophobicContact CG-CD2 4.11Å; W166-L177 HydrophobicContact CH2-CD1 3.67Å; W166-L177 HydrophobicContact CZ2-CD1 3.95Å; T175-L177 PolarHBondContact O-N 3.38Å; L177-P179 WeakPolarHBondContact O-CD 3.26Å; L177-N226 PolarHBondContact O-ND2 2.74Å
178L88.5Confident86.8Confident41 Ų4129.7 Ų29.722%0.21517%0.169CC..  trans-106.262.1176.8-64.2176.5000111.2F138 A180 R181 L182 T225 N226F138-L178 HydrophobicContact CE1-CB 4.26Å; F138-L178 HydrophobicContact CZ-CB 4.27Å; F138-L178 VanDerWaalsContact CZ-O 3.22Å; F138-L178 WeakPolarHBondContact CZ-O 3.46Å; L178-A180 PolarHBondContact O-N 2.89Å; L178-A180 VanDerWaalsContact O-N 3.1Å; L178-R181 HydrophobicContact CB-CB 4.08Å; L178-R181 WeakPolarHBondContact O-CB 3.46Å; L178-R181 PolarHBondContact O-N 2.9Å; L178-L182 PolarHBondContact O-N 2.7Å; L178-T225 WeakPolarHBondContact CD2-OG1 3.31Å; L178-N226 WeakPolarHBondContact CA-OD1 3.28Å
179P92Very high86.4Confident1 Ų130.7 Ų30.71%0.00617%0.173CC..Hα-helixtrans-56.4-30.8-173.624.2-35.1000113.4C167 Q170 L171 L177 R181 L182 L183 N226C167-P179 HydrophobicContact CB-CB 4.19Å; Q170-P179 HydrophobicContact CB-CB 3.93Å; Q170-P179 HydrophobicContact CB-CG 3.93Å; L171-P179 HydrophobicContact CD2-CB 4.48Å; L171-P179 HydrophobicContact CD2-CG 3.79Å; L171-P179 HydrophobicContact CG-CB 4.21Å; L171-P179 HydrophobicContact CG-CG 3.87Å; L177-P179 WeakPolarHBondContact O-CD 3.26Å; P179-R181 VanDerWaalsContact C-N 3.29Å; P179-R181 PolarHBondContact O-N 3.43Å; P179-L182 PolarHBondContact O-N 3.37Å; P179-L183 VanDerWaalsContact O-CB 3.3Å; P179-L183 WeakPolarHBondContact O-CB 3.38Å; P179-L183 PolarHBondContact O-N 2.98Å; P179-N226 VanDerWaalsContact CD-OD1 3.25Å; P179-N226 WeakPolarHBondContact CD-OD1 3.5Å
180A91.5Very high86Confident1 Ų127.5 Ų27.51%0.00816%0.155CC..Hα-helixtrans-60.7-38.2175.300000112.4L171 L178 L183 C184 N226 W229 V230L171-A180 HydrophobicContact CD2-CB 3.85Å; L178-A180 PolarHBondContact O-N 2.89Å; L178-A180 VanDerWaalsContact O-N 3.1Å; A180-L183 PolarHBondContact O-N 3.16Å; A180-C184 PolarHBondContact O-N 3.33Å; A180-C184 PolarHBondContact O-SG 2.9Å; A180-N226 HydrophobicContact CB-CB 4.34Å; A180-N226 PolarHBondContact N-OD1 2.84Å; A180-W229 HydrophobicContact CB-CB 3.48Å; A180-W229 VanDerWaalsContact CB-CB 3.48Å; A180-W229 HydrophobicContact CB-CG 4.49Å; A180-V230 HydrophobicContact CB-CG2 3.77Å
181R90.8Very high85.5Confident46 Ų4627 Ų2717%0.17416%0.156CC..Hα-helixtrans-64.4-47.6177.1-179.3-179.8179.7-171.92.3111.4L178 P179 L183 C184 F185 W229L178-R181 HydrophobicContact CB-CB 4.08Å; L178-R181 WeakPolarHBondContact O-CB 3.46Å; L178-R181 PolarHBondContact O-N 2.9Å; P179-R181 VanDerWaalsContact C-N 3.29Å; P179-R181 PolarHBondContact O-N 3.43Å; R181-L183 VanDerWaalsContact C-N 3.28Å; R181-L183 PolarHBondContact O-N 2.79Å; R181-C184 PolarHBondContact O-N 3.33Å; R181-F185 HydrophobicContact CG-CD2 4.19Å; R181-F185 HydrophobicContact CG-CE2 3.61Å; R181-F185 HydrophobicContact CG-CZ 4Å; R181-F185 WeakPolarHBondContact O-CD2 3.42Å; R181-F185 WeakPolarHBondContact O-CG 3.32Å; R181-F185 PolarHBondContact O-N 3.5Å; R181-W229 HydrophobicContact CB-CD2 3.84Å; R181-W229 HydrophobicContact CB-CE3 4.41Å; R181-W229 HydrophobicContact CB-CG 4.02Å; R181-W229 HydrophobicContact CB-CZ2 4.33Å; R181-W229 HydrophobicContact CG-CD2 4.07Å; R181-W229 HydrophobicContact CG-CE3 4.36Å; R181-W229 HydrophobicContact CG-CH2 4.06Å; R181-W229 HydrophobicContact CG-CZ2 3.72Å; R181-W229 HydrophobicContact CG-CZ3 4.36Å
182L92Very high84.7Confident0 Ų035 Ų350%019%0.194CC..Hα-helixtrans-62.4-40.9177.1177.660.1000110.9F138 L141 L145 W166 L178 P179 C184 F185 L186F138-L182 HydrophobicContact CD2-CD2 4.08Å; F138-L182 HydrophobicContact CE2-CB 3.61Å; F138-L182 HydrophobicContact CE2-CD2 3.68Å; F138-L182 HydrophobicContact CE2-CG 4.26Å; F138-L182 HydrophobicContact CZ-CB 3.72Å; L141-L182 HydrophobicContact CD2-CD1 3.8Å; L141-L182 HydrophobicContact CD2-CD2 3.78Å; L141-L182 HydrophobicContact CD2-CG 4.45Å; L141-L182 HydrophobicContact CG-CD1 3.89Å; L145-L182 HydrophobicContact CD1-CD1 3.38Å; W166-L182 HydrophobicContact CZ3-CD2 4.07Å; L178-L182 PolarHBondContact O-N 2.7Å; P179-L182 PolarHBondContact O-N 3.37Å; L182-C184 PolarHBondContact O-N 3.02Å; L182-F185 PolarHBondContact O-N 2.85Å; L182-L186 HydrophobicContact CD1-CD1 4.44Å; L182-L186 HydrophobicContact CD1-CG 4.36Å; L182-L186 HydrophobicContact CG-CD1 4.08Å; L182-L186 HydrophobicContact CG-CG 4.46Å; L182-L186 WeakPolarHBondContact O-CG 3.43Å; L182-L186 PolarHBondContact O-N 3.45Å
183L93.4Very high84.4Confident0 Ų034.7 Ų34.70%019%0.194CC..Hα-helixtrans-60.2-45.5176.6-173.659.9000111.7I164 C167 L171 P179 A180 R181 F185 L186 I187 I201 L205 L233I164-L183 HydrophobicContact CB-CD1 4.43Å; I164-L183 HydrophobicContact CG1-CD1 4.29Å; I164-L183 HydrophobicContact CG2-CD1 3.99Å; C167-L183 HydrophobicContact CB-CB 4.1Å; C167-L183 HydrophobicContact CB-CD1 4.27Å; L171-L183 HydrophobicContact CD1-CD2 4.13Å; P179-L183 VanDerWaalsContact O-CB 3.3Å; P179-L183 WeakPolarHBondContact O-CB 3.38Å; P179-L183 PolarHBondContact O-N 2.98Å; A180-L183 PolarHBondContact O-N 3.16Å; R181-L183 VanDerWaalsContact C-N 3.28Å; R181-L183 PolarHBondContact O-N 2.79Å; L183-F185 VanDerWaalsContact C-N 3.29Å; L183-F185 PolarHBondContact O-N 3.33Å; L183-L186 PolarHBondContact O-N 3.16Å; L183-I187 HydrophobicContact CD1-CG1 4.35Å; L183-I187 VanDerWaalsContact O-CG1 3.31Å; L183-I187 WeakPolarHBondContact O-CG1 3.29Å; L183-I187 PolarHBondContact O-N 3.13Å; L183-I201 HydrophobicContact CD1-CG1 4.45Å; L183-I201 HydrophobicContact CD2-CG2 4.09Å; L183-L205 HydrophobicContact CD2-CD2 4.35Å; L183-L233 HydrophobicContact CB-CD2 4.44Å; L183-L233 HydrophobicContact CD2-CD2 3.7Å; L183-L233 HydrophobicContact CG-CD2 3.73Å
184C90.9Very high83.8Confident2 Ų235.9 Ų35.91%0.01420%0.201CC..Hα-helixtrans-55-44.8173.4-700000112.1A180 R181 L182 I187 R188 W229 L372A180-C184 PolarHBondContact O-N 3.33Å; A180-C184 PolarHBondContact O-SG 2.9Å; R181-C184 PolarHBondContact O-N 3.33Å; L182-C184 PolarHBondContact O-N 3.02Å; C184-I187 PolarHBondContact O-N 3.17Å; C184-R188 WeakPolarHBondContact O-CB 3.4Å; C184-R188 PolarHBondContact O-N 3.21Å; C184-W229 HydrophobicContact CB-CE3 4.16Å; C184-W229 HydrophobicContact CB-CZ3 4.47Å; C184-L372 HydrophobicContact CB-CD2 3.95Å
185F89.9Confident84.3Confident4 Ų432.8 Ų32.82%0.01818%0.184CC..Hα-helixtrans-69.9-34.8-179.9-64.9-31.7000113.8C142 L145 L146 R181 L182 L183 R188 H189 W229 E384C142-F185 HydrophobicContact CB-CD2 4.13Å; C142-F185 HydrophobicContact CB-CE2 4.03Å; L145-F185 HydrophobicContact CB-CB 3.67Å; L145-F185 HydrophobicContact CB-CG 4.36Å; L145-F185 HydrophobicContact CD1-CB 3.98Å; L145-F185 HydrophobicContact CG-CB 4.42Å; L146-F185 HydrophobicContact CB-CE2 4.44Å; L146-F185 HydrophobicContact CB-CZ 4.33Å; L146-F185 HydrophobicContact CD1-CE1 3.96Å; L146-F185 HydrophobicContact CD1-CZ 3.96Å; R181-F185 HydrophobicContact CG-CD2 4.19Å; R181-F185 HydrophobicContact CG-CE2 3.61Å; R181-F185 HydrophobicContact CG-CZ 4Å; R181-F185 WeakPolarHBondContact O-CD2 3.42Å; R181-F185 WeakPolarHBondContact O-CG 3.32Å; R181-F185 PolarHBondContact O-N 3.5Å; L182-F185 PolarHBondContact O-N 2.85Å; L183-F185 VanDerWaalsContact C-N 3.29Å; L183-F185 PolarHBondContact O-N 3.33Å; F185-R188 WeakPolarHBondContact O-CB 3.48Å; F185-H189 PolarHBondContact O-CD2 3.19Å; F185-H189 PolarHBondContact O-N 2.99Å; F185-W229 HydrophobicContact CZ-CH2 4.4Å; F185-E384 WeakPolarHBondContact CE1-OE2 3.44Å
186L91.2Very high85.1Confident0 Ų032.8 Ų32.80%018%0.184CC..Hα-helixtrans-64.8-46.4172.2-71.9167.5000110.5L145 L155 L163 I164 L182 L183 R188 H189 Y190L145-L186 HydrophobicContact CD1-CD2 3.92Å; L145-L186 HydrophobicContact CD1-CG 4.09Å; L145-L186 HydrophobicContact CD2-CD2 4.24Å; L155-L186 HydrophobicContact CD2-CD2 4.12Å; L163-L186 HydrophobicContact CB-CD1 3.87Å; L163-L186 HydrophobicContact CD1-CD2 4.32Å; I164-L186 HydrophobicContact CG1-CB 4.35Å; I164-L186 HydrophobicContact CG1-CD1 4.08Å; L182-L186 HydrophobicContact CD1-CD1 4.44Å; L182-L186 HydrophobicContact CD1-CG 4.36Å; L182-L186 HydrophobicContact CG-CD1 4.08Å; L182-L186 HydrophobicContact CG-CG 4.46Å; L182-L186 WeakPolarHBondContact O-CG 3.43Å; L182-L186 PolarHBondContact O-N 3.45Å; L183-L186 PolarHBondContact O-N 3.16Å; L186-R188 VanDerWaalsContact C-N 3.34Å; L186-R188 PolarHBondContact O-N 3.42Å; L186-H189 PolarHBondContact O-N 2.93Å; L186-Y190 HydrophobicContact CD2-CE2 4.39Å; L186-Y190 WeakPolarHBondContact O-CD2 3.33Å; L186-Y190 PolarHBondContact O-N 3.35Å; L186-Y190 VanDerWaalsContact O-N 3.12Å
187I89.7Confident85.7Confident0 Ų029.6 Ų29.60%016%0.161CC..Hα-helixtrans-66-37.9179-60.6-59000111.5I164 L183 C184 H189 Y190 S191 L196 F198 I201 L233 W236 L372I164-I187 HydrophobicContact CD1-CD1 4.39Å; L183-I187 HydrophobicContact CD1-CG1 4.35Å; L183-I187 VanDerWaalsContact O-CG1 3.31Å; L183-I187 WeakPolarHBondContact O-CG1 3.29Å; L183-I187 PolarHBondContact O-N 3.13Å; C184-I187 PolarHBondContact O-N 3.17Å; I187-H189 PolarHBondContact O-N 3.39Å; I187-Y190 CarbonylContact O-C 3.57Å; I187-Y190 PolarHBondContact O-N 2.97Å; I187-S191 VanDerWaalsContact O-CA 3.3Å; I187-S191 WeakPolarHBondContact O-CA 3.42Å; I187-S191 VanDerWaalsContact O-CB 3.25Å; I187-S191 WeakPolarHBondContact O-CB 3.38Å; I187-S191 PolarHBondContact O-N 2.87Å; I187-L196 HydrophobicContact CD1-CD1 3.87Å; I187-L196 HydrophobicContact CD1-CD2 4.09Å; I187-F198 HydrophobicContact CD1-CE1 4.32Å; I187-F198 HydrophobicContact CG2-CE1 4.21Å; I187-I201 HydrophobicContact CD1-CD1 3.49Å; I187-I201 VanDerWaalsContact CD1-CD1 3.49Å; I187-I201 HydrophobicContact CG1-CD1 4.31Å; I187-L233 HydrophobicContact CB-CD1 4.43Å; I187-L233 HydrophobicContact CG1-CD1 4.47Å; I187-L233 HydrophobicContact CG2-CD1 4.41Å; I187-W236 HydrophobicContact CG2-CE3 4.06Å; I187-W236 HydrophobicContact CG2-CH2 3.67Å; I187-W236 HydrophobicContact CG2-CZ2 4.41Å; I187-W236 HydrophobicContact CG2-CZ3 3.46Å; I187-W236 VanDerWaalsContact CG2-CZ3 3.46Å; I187-L372 HydrophobicContact CB-CD1 4.08Å; I187-L372 HydrophobicContact CG2-CD1 3.69Å
188R85.2Confident85.9Confident33 Ų3330.5 Ų30.513%0.12517%0.165CC..Hα-helixtrans-51.7-51.9170.8169.2-176.4176.7165.6-15.1112.3C184 F185 L186 Y190 L372 C373C184-R188 WeakPolarHBondContact O-CB 3.4Å; C184-R188 PolarHBondContact O-N 3.21Å; F185-R188 WeakPolarHBondContact O-CB 3.48Å; L186-R188 VanDerWaalsContact C-N 3.34Å; L186-R188 PolarHBondContact O-N 3.42Å; R188-Y190 VanDerWaalsContact C-N 3.31Å; R188-Y190 PolarHBondContact O-N 2.95Å; R188-L372 HydrophobicContact CB-CB 4.07Å; R188-L372 WeakPolarHBondContact CD-O 3.38Å; R188-L372 WeakPolarHBondContact CG-O 3.02Å; R188-C373 PolarHBondContact O-SG 3.31Å
189H84.1Confident85.9Confident20 Ų2035.9 Ų35.99%0.09319%0.188CC..Hα-helixtrans-72.4-26.2-175.3-90.1-81000113.6L145 A148 F185 L186 I187L145-H189 HydrophobicContact CD2-CB 4.48Å; L145-H189 PolarHBondContact O-CD2 3.26Å; L145-H189 VanDerWaalsContact O-CD2 3.31Å; L145-H189 PolarHBondContact O-NE2 3.29Å; A148-H189 PolarHBondContact O-CE1 3.49Å; F185-H189 PolarHBondContact O-CD2 3.19Å; F185-H189 PolarHBondContact O-N 2.99Å; L186-H189 PolarHBondContact O-N 2.93Å; I187-H189 PolarHBondContact O-N 3.39Å
190Y85.3Confident85.8Confident21 Ų2139.2 Ų39.28%0.08220%0.204CC..Hα-helixtrans-120.213.9-170.7-58.8-66.4000113.7L155 R160 L186 I187 R188 E192 S193 L196L155-Y190 HydrophobicContact CB-CE2 4.39Å; L155-Y190 WeakPolarHBondContact CB-OH 3.45Å; L155-Y190 HydrophobicContact CD2-CE2 4.04Å; R160-Y190 VanDerWaalsContact CD-CD2 3.42Å; R160-Y190 HydrophobicContact CG-CD2 3.69Å; R160-Y190 HydrophobicContact CG-CE2 3.98Å; R160-Y190 HydrophobicContact CG-CG 4.17Å; L186-Y190 HydrophobicContact CD2-CE2 4.39Å; L186-Y190 WeakPolarHBondContact O-CD2 3.33Å; L186-Y190 PolarHBondContact O-N 3.35Å; L186-Y190 VanDerWaalsContact O-N 3.12Å; I187-Y190 CarbonylContact O-C 3.57Å; I187-Y190 PolarHBondContact O-N 2.97Å; R188-Y190 VanDerWaalsContact C-N 3.31Å; R188-Y190 PolarHBondContact O-N 2.95Å; Y190-E192 PolarHBondContact O-N 3.47Å; Y190-E192 VanDerWaalsContact O-N 3.15Å; Y190-S193 WeakPolarHBondContact O-CB 3.49Å; Y190-S193 PolarHBondContact O-N 3.48Å; Y190-S193 PolarHBondContact O-OG 3.42Å; Y190-L196 WeakPolarHBondContact O-CD1 3.47Å
191S79.6Confident85.9Confident35 Ų3539.2 Ų39.225%0.24520%0.203CC..THydrogen-bonded Turntrans-57.8-31.6-176.254.90000113.3I187 S193I187-S191 VanDerWaalsContact O-CA 3.3Å; I187-S191 WeakPolarHBondContact O-CA 3.42Å; I187-S191 VanDerWaalsContact O-CB 3.25Å; I187-S191 WeakPolarHBondContact O-CB 3.38Å; I187-S191 PolarHBondContact O-N 2.87Å; S191-S193 VanDerWaalsContact C-N 3.29Å
192E72.9Confident85.8Confident179 Ų17938 Ų3884%0.83620%0.202SC*.THydrogen-bonded Turntrans-81.1-7.3177.7-62.1-179.7176.600113.1Y190Y190-E192 PolarHBondContact O-N 3.47Å; Y190-E192 VanDerWaalsContact O-N 3.15Å
193S76.1Confident85.8Confident31 Ų3139.7 Ų39.722%0.21722%0.219CC..  trans-73.8127.4178.3-64.70000110.8R160 Y190 S191 S195R160-S193 VanDerWaalsContact NH1-CB 3.33Å; R160-S193 PolarHBondContact NH1-OG 3.18Å; R160-S193 VanDerWaalsContact NH1-OG 3.16Å; Y190-S193 WeakPolarHBondContact O-CB 3.49Å; Y190-S193 PolarHBondContact O-N 3.48Å; Y190-S193 PolarHBondContact O-OG 3.42Å; S191-S193 VanDerWaalsContact C-N 3.29Å; S193-S195 PolarHBondContact O-N 3.12Å
194P66.7Low85.7Confident98 Ų9840 Ų4064%0.63622%0.222SC*.THydrogen-bonded Turntrans-69-4.9-175.526.6-35000114.7
195S78Confident85.9Confident59 Ų5940 Ų4041%0.41322%0.221SC..THydrogen-bonded Turntrans-117.120.2-168.158.50000114.8R160 S193R160-S195 PolarHBondContact NH2-OG 3.03Å; S193-S195 PolarHBondContact O-N 3.12Å
196L86.3Confident85.9Confident16 Ų1640.1 Ų40.18%0.08422%0.223CC..  trans-73135.9177.3-75.5179.6000111.9I164 I187 Y190 F198I164-L196 HydrophobicContact CD1-CD2 3.62Å; I187-L196 HydrophobicContact CD1-CD1 3.87Å; I187-L196 HydrophobicContact CD1-CD2 4.09Å; Y190-L196 WeakPolarHBondContact O-CD1 3.47Å; L196-F198 HydrophobicContact CB-CD1 4.3Å; L196-F198 HydrophobicContact CB-CD2 4.12Å; L196-F198 HydrophobicContact CB-CE1 3.94Å; L196-F198 HydrophobicContact CB-CE2 3.75Å; L196-F198 HydrophobicContact CB-CG 4.39Å; L196-F198 HydrophobicContact CB-CZ 3.67Å; L196-F198 HydrophobicContact CD1-CE1 3.71Å; L196-F198 HydrophobicContact CD1-CE2 4.26Å; L196-F198 HydrophobicContact CD1-CZ 3.42Å; L196-F198 VanDerWaalsContact CD1-CZ 3.42Å; L196-F198 HydrophobicContact CG-CZ 4.19Å; L196-F198 PolarHBondContact O-N 3.24Å
197P90.3Very high85.9Confident27 Ų2745.6 Ų45.618%0.17525%0.246CC..  trans-8158.7-177.335.1-37.4000112.1I164 F165 H199 H200 I201I164-P197 HydrophobicContact CG2-CG 3.76Å; F165-P197 HydrophobicContact CE1-CB 4.38Å; F165-P197 HydrophobicContact CE1-CG 4.49Å; F165-P197 HydrophobicContact CZ-CB 4.14Å; F165-P197 HydrophobicContact CZ-CG 4.26Å; P197-H199 VanDerWaalsContact C-N 3.34Å; P197-H199 PolarHBondContact O-N 2.94Å; P197-H200 HydrophobicContact CB-CB 4.26Å; P197-H200 WeakPolarHBondContact O-CB 3.38Å; P197-H200 PolarHBondContact O-N 3.18Å; P197-I201 HydrophobicContact CG-CD1 4.33Å; P197-I201 WeakPolarHBondContact O-CG1 3.31Å; P197-I201 PolarHBondContact O-N 3.4Å
198F90Very high86Confident27 Ų2746.1 Ų46.112%0.11825%0.249CC..Hα-helixtrans-57.1-39.3-173.3-68.5-56.8000114.3I187 L196 H200 I201 S202 W236 L237 V241 Y242I187-F198 HydrophobicContact CD1-CE1 4.32Å; I187-F198 HydrophobicContact CG2-CE1 4.21Å; L196-F198 HydrophobicContact CB-CD1 4.3Å; L196-F198 HydrophobicContact CB-CD2 4.12Å; L196-F198 HydrophobicContact CB-CE1 3.94Å; L196-F198 HydrophobicContact CB-CE2 3.75Å; L196-F198 HydrophobicContact CB-CG 4.39Å; L196-F198 HydrophobicContact CB-CZ 3.67Å; L196-F198 HydrophobicContact CD1-CE1 3.71Å; L196-F198 HydrophobicContact CD1-CE2 4.26Å; L196-F198 HydrophobicContact CD1-CZ 3.42Å; L196-F198 VanDerWaalsContact CD1-CZ 3.42Å; L196-F198 HydrophobicContact CG-CZ 4.19Å; L196-F198 PolarHBondContact O-N 3.24Å; F198-H200 VanDerWaalsContact C-N 3.32Å; F198-H200 PolarHBondContact O-N 3.29Å; F198-I201 HydrophobicContact CD1-CD1 4.28Å; F198-I201 PolarHBondContact O-N 2.84Å; F198-S202 PolarHBondContact O-N 2.92Å; F198-S202 PolarHBondContact O-OG 3.36Å; F198-S202 VanDerWaalsContact O-OG 3.08Å; F198-W236 HydrophobicContact CE1-CH2 4.32Å; F198-W236 AromaticContact CE1-CZ3 3.95Å; F198-W236 HydrophobicContact CE1-CZ3 3.95Å; F198-W236 HydrophobicContact CZ-CH2 4.41Å; F198-W236 HydrophobicContact CZ-CZ3 4.45Å; F198-L237 HydrophobicContact CD1-CD2 3.63Å; F198-L237 HydrophobicContact CE1-CD2 4.11Å; F198-L237 HydrophobicContact CG-CD2 4.43Å; F198-V241 HydrophobicContact CB-CG1 4.08Å; F198-V241 HydrophobicContact CD1-CG2 4.29Å; F198-V241 HydrophobicContact CD2-CG1 3.96Å; F198-V241 HydrophobicContact CD2-CG2 4.37Å; F198-V241 HydrophobicContact CE1-CG2 4.17Å; F198-V241 HydrophobicContact CE2-CG2 4.25Å; F198-V241 HydrophobicContact CG-CG1 3.99Å; F198-V241 HydrophobicContact CG-CG2 4.38Å; F198-V241 HydrophobicContact CZ-CG2 4.14Å; F198-Y242 PolarHBondContact O-OH 2.95Å; F198-Y242 VanDerWaalsContact O-OH 3.09Å
199H87.7Confident86.3Confident154 Ų15444.6 Ų44.671%0.71324%0.243SC*.Hα-helixtrans-61.6-38.2175.8-72.2-70.5000113.2P197 S202 G203 Y242P197-H199 VanDerWaalsContact C-N 3.34Å; P197-H199 PolarHBondContact O-N 2.94Å; H199-S202 PolarHBondContact O-OG 2.74Å; H199-S202 VanDerWaalsContact O-OG 3.1Å; H199-G203 PolarHBondContact O-N 3.33Å; H199-Y242 WeakPolarHBondContact CA-OH 3.45Å; H199-Y242 PolarHBondContact N-OH 3.39Å
200H90.2Very high86.6Confident71 Ų7147.6 Ų47.633%0.32926%0.256SS..Hα-helixtrans-70.9-40.1176.5-17975.4000111.1F165 C168 P197 F198 S204F165-H200 AromaticContact CD1-CD2 3.48Å; F165-H200 VanDerWaalsContact CD1-CD2 3.48Å; F165-H200 WeakPolarHBondContact CD1-CD2 3.45Å; F165-H200 AromaticContact CD1-NE2 3.52Å; F165-H200 HydrophobicContact CE1-CB 4.34Å; F165-H200 AromaticContact CE1-CD2 3.57Å; F165-H200 AromaticContact CE1-CG 3.82Å; F165-H200 AromaticContact CE1-NE2 3.97Å; C168-H200 WeakPolarHBondContact CB-NE2 3.49Å; P197-H200 HydrophobicContact CB-CB 4.26Å; P197-H200 WeakPolarHBondContact O-CB 3.38Å; P197-H200 PolarHBondContact O-N 3.18Å; F198-H200 VanDerWaalsContact C-N 3.32Å; F198-H200 PolarHBondContact O-N 3.29Å; H200-S204 WeakPolarHBondContact O-CB 3.31Å; H200-S204 PolarHBondContact O-N 3.04Å; H200-S204 PolarHBondContact O-OG 3.33Å
201I92.5Very high86.7Confident0 Ų049.2 Ų49.20%027%0.266CS..Hα-helixtrans-60.2-55.6176.2-66.7163.1000109.8I164 L183 I187 P197 F198 G203 S204 L205 L233 L237I164-I201 HydrophobicContact CG2-CD1 3.96Å; I164-I201 HydrophobicContact CG2-CG1 3.91Å; L183-I201 HydrophobicContact CD1-CG1 4.45Å; L183-I201 HydrophobicContact CD2-CG2 4.09Å; I187-I201 HydrophobicContact CD1-CD1 3.49Å; I187-I201 VanDerWaalsContact CD1-CD1 3.49Å; I187-I201 HydrophobicContact CG1-CD1 4.31Å; P197-I201 HydrophobicContact CG-CD1 4.33Å; P197-I201 WeakPolarHBondContact O-CG1 3.31Å; P197-I201 PolarHBondContact O-N 3.4Å; F198-I201 HydrophobicContact CD1-CD1 4.28Å; F198-I201 PolarHBondContact O-N 2.84Å; I201-G203 PolarHBondContact O-N 3.49Å; I201-S204 WeakPolarHBondContact O-CA 3.38Å; I201-S204 WeakPolarHBondContact O-CB 3.43Å; I201-S204 PolarHBondContact O-N 3.2Å; I201-L205 HydrophobicContact CG2-CD1 4.27Å; I201-L205 HydrophobicContact CG2-CG 4.33Å; I201-L205 WeakPolarHBondContact O-CG 3.27Å; I201-L205 PolarHBondContact O-N 3.16Å; I201-L233 HydrophobicContact CG2-CD2 4.15Å; I201-L237 HydrophobicContact CG2-CD1 4.04Å
202S90.6Very high87Confident20 Ų2048 Ų4814%0.1426%0.257CS..Hα-helixtrans-59.9-45.8-178.757.60000112.2F198 H199 S204 L205 I206 Y242F198-S202 PolarHBondContact O-N 2.92Å; F198-S202 PolarHBondContact O-OG 3.36Å; F198-S202 VanDerWaalsContact O-OG 3.08Å; H199-S202 PolarHBondContact O-OG 2.74Å; H199-S202 VanDerWaalsContact O-OG 3.1Å; S202-S204 PolarHBondContact O-N 2.66Å; S202-L205 PolarHBondContact O-N 3.3Å; S202-I206 WeakPolarHBondContact O-CB 3.42Å; S202-I206 VanDerWaalsContact O-CG1 3.29Å; S202-I206 WeakPolarHBondContact O-CG1 3.29Å; S202-I206 PolarHBondContact O-N 2.6Å; S202-Y242 PolarHBondContact OG-OH 3.2Å
203G90.6Very high87.5Confident36 Ų3644 Ų4437%0.37124%0.241SC..Hα-helixtrans-57.1-37.317400000112.9H199 I201 K207H199-G203 PolarHBondContact O-N 3.33Å; I201-G203 PolarHBondContact O-N 3.49Å; G203-K207 VanDerWaalsContact O-CB 3.29Å; G203-K207 WeakPolarHBondContact O-CB 3.46Å; G203-K207 PolarHBondContact O-N 3.44Å
204S92.8Very high87.9Confident8 Ų846.8 Ų46.86%0.05626%0.261CS..Hα-helixtrans-71.8-40.8176.8-60.80000112.9C168 H200 I201 S202 I206 K207 F208C168-S204 WeakPolarHBondContact CB-OG 3.34Å; H200-S204 WeakPolarHBondContact O-CB 3.31Å; H200-S204 PolarHBondContact O-N 3.04Å; H200-S204 PolarHBondContact O-OG 3.33Å; I201-S204 WeakPolarHBondContact O-CA 3.38Å; I201-S204 WeakPolarHBondContact O-CB 3.43Å; I201-S204 PolarHBondContact O-N 3.2Å; S202-S204 PolarHBondContact O-N 2.66Å; S204-I206 VanDerWaalsContact C-N 3.34Å; S204-K207 PolarHBondContact O-N 2.85Å; S204-F208 WeakPolarHBondContact O-CB 3.47Å; S204-F208 PolarHBondContact O-N 3.2Å
205L93.6Very high88.4Confident0 Ų043.4 Ų43.40%024%0.237CC..Hα-helixtrans-62.7-42.8173.9-60.8-176.4000111.4L171 L183 I201 S202 F208 M209 V230 L233 L234 L237L171-L205 HydrophobicContact CD1-CD2 3.99Å; L183-L205 HydrophobicContact CD2-CD2 4.35Å; I201-L205 HydrophobicContact CG2-CD1 4.27Å; I201-L205 HydrophobicContact CG2-CG 4.33Å; I201-L205 WeakPolarHBondContact O-CG 3.27Å; I201-L205 PolarHBondContact O-N 3.16Å; S202-L205 PolarHBondContact O-N 3.3Å; L205-F208 WeakPolarHBondContact O-CB 3.35Å; L205-F208 PolarHBondContact O-N 2.96Å; L205-M209 WeakPolarHBondContact O-CG 3.44Å; L205-M209 PolarHBondContact O-N 3.14Å; L205-V230 HydrophobicContact CB-CG1 4.05Å; L205-V230 HydrophobicContact CD2-CB 4.38Å; L205-V230 HydrophobicContact CD2-CG1 4.02Å; L205-V230 HydrophobicContact CD2-CG2 4.01Å; L205-V230 HydrophobicContact CG-CG1 4.47Å; L205-L233 HydrophobicContact CD1-CB 4.14Å; L205-L233 HydrophobicContact CD1-CD2 3.95Å; L205-L233 HydrophobicContact CD1-CG 3.91Å; L205-L233 HydrophobicContact CD2-CD2 4.23Å; L205-L234 HydrophobicContact CD1-CB 4.31Å; L205-L237 HydrophobicContact CD1-CD1 3.75Å
206I90.8Very high88.1Confident8 Ų846.2 Ų46.24%0.04125%0.252CS..Hα-helixtrans-61.8-47.8175.6-74.8-57.7000111S202 S204 F208 M209 K210 E250 V251 I254S202-I206 WeakPolarHBondContact O-CB 3.42Å; S202-I206 VanDerWaalsContact O-CG1 3.29Å; S202-I206 WeakPolarHBondContact O-CG1 3.29Å; S202-I206 PolarHBondContact O-N 2.6Å; S204-I206 VanDerWaalsContact C-N 3.34Å; I206-F208 VanDerWaalsContact C-N 3.32Å; I206-F208 PolarHBondContact O-N 3.48Å; I206-M209 HydrophobicContact CD1-CE 3.38Å; I206-M209 HydrophobicContact CG1-CE 4.41Å; I206-M209 PolarHBondContact O-N 3.46Å; I206-K210 HydrophobicContact CG2-CD 4.18Å; I206-K210 WeakPolarHBondContact O-CG 3.14Å; I206-K210 PolarHBondContact O-N 3.49Å; I206-E250 WeakPolarHBondContact CG2-OE1 3.26Å; I206-V251 HydrophobicContact CD1-CG2 3.89Å; I206-I254 HydrophobicContact CB-CD1 4.2Å; I206-I254 HydrophobicContact CD1-CD1 3.53Å; I206-I254 HydrophobicContact CG1-CD1 4.18Å; I206-I254 HydrophobicContact CG2-CD1 3.28Å
207K91Very high87.4Confident115 Ų11547.9 Ų47.950%0.527%0.273SS..Hα-helixtrans-61.2-41.7176.9-173.7178.9170.4-174.40111.6N172 G203 S204 K210 N211N172-K207 VanDerWaalsContact OD1-CD 3.29Å; N172-K207 WeakPolarHBondContact OD1-CD 3.45Å; N172-K207 VanDerWaalsContact OD1-CG 3.27Å; N172-K207 WeakPolarHBondContact OD1-CG 3.46Å; G203-K207 VanDerWaalsContact O-CB 3.29Å; G203-K207 WeakPolarHBondContact O-CB 3.46Å; G203-K207 PolarHBondContact O-N 3.44Å; S204-K207 PolarHBondContact O-N 2.85Å; K207-K210 PolarHBondContact O-N 2.96Å; K207-N211 VanDerWaalsContact O-CG 3.31Å; K207-N211 PolarHBondContact O-N 3.21Å; K207-N211 PolarHBondContact O-ND2 3.22Å
208F92.4Very high86.3Confident11 Ų1154.6 Ų54.65%0.04830%0.302CS..Hα-helixtrans-55.4-53.7172.5173.6-90.4000111.1L171 S204 L205 I206 K210 N211 F223 N226 L227 V230L171-F208 HydrophobicContact CB-CD2 4.26Å; L171-F208 HydrophobicContact CD2-CD2 4.04Å; L171-F208 HydrophobicContact CD2-CE2 4.2Å; L171-F208 WeakPolarHBondContact O-CD2 3.42Å; S204-F208 WeakPolarHBondContact O-CB 3.47Å; S204-F208 PolarHBondContact O-N 3.2Å; L205-F208 WeakPolarHBondContact O-CB 3.35Å; L205-F208 PolarHBondContact O-N 2.96Å; I206-F208 VanDerWaalsContact C-N 3.32Å; I206-F208 PolarHBondContact O-N 3.48Å; F208-K210 VanDerWaalsContact C-N 3.28Å; F208-K210 PolarHBondContact O-N 3.05Å; F208-N211 WeakPolarHBondContact O-CB 3.45Å; F208-N211 PolarHBondContact O-N 3.28Å; F208-F223 AromaticContact CD1-CE2 3.96Å; F208-F223 HydrophobicContact CD1-CE2 3.96Å; F208-F223 HydrophobicContact CD1-CZ 4.19Å; F208-F223 HydrophobicContact CD2-CD2 4.34Å; F208-F223 HydrophobicContact CD2-CE2 4.21Å; F208-F223 AromaticContact CE1-CD2 3.95Å; F208-F223 HydrophobicContact CE1-CD2 3.95Å; F208-F223 HydrophobicContact CE1-CE1 4.2Å; F208-F223 AromaticContact CE1-CE2 3.56Å; F208-F223 HydrophobicContact CE1-CE2 3.56Å; F208-F223 HydrophobicContact CE1-CG 4.43Å; F208-F223 AromaticContact CE1-CZ 3.7Å; F208-F223 HydrophobicContact CE1-CZ 3.7Å; F208-F223 AromaticContact CE2-CD2 3.62Å; F208-F223 HydrophobicContact CE2-CD2 3.62Å; F208-F223 AromaticContact CE2-CE2 3.85Å; F208-F223 HydrophobicContact CE2-CE2 3.85Å; F208-F223 HydrophobicContact CE2-CG 4.37Å; F208-F223 HydrophobicContact CG-CE2 4.27Å; F208-F223 HydrophobicContact CZ-CD1 4.29Å; F208-F223 AromaticContact CZ-CD2 3.39Å; F208-F223 HydrophobicContact CZ-CD2 3.39Å; F208-F223 HydrophobicContact CZ-CE1 4.39Å; F208-F223 AromaticContact CZ-CE2 3.51Å; F208-F223 HydrophobicContact CZ-CE2 3.51Å; F208-F223 AromaticContact CZ-CG 3.82Å; F208-F223 HydrophobicContact CZ-CG 3.82Å; F208-F223 HydrophobicContact CZ-CZ 4.02Å; F208-F223 VanDerWaalsContact O-CE2 3.32Å; F208-F223 WeakPolarHBondContact O-CE2 3.43Å; F208-N226 HydrophobicContact CE2-CB 4Å; F208-N226 HydrophobicContact CZ-CB 3.67Å; F208-L227 HydrophobicContact CE1-CB 4.32Å; F208-L227 HydrophobicContact CE1-CD1 4.21Å; F208-V230 HydrophobicContact CD1-CB 4.18Å; F208-V230 HydrophobicContact CD1-CG1 3.95Å; F208-V230 HydrophobicContact CD1-CG2 3.73Å; F208-V230 HydrophobicContact CE1-CB 4.23Å; F208-V230 HydrophobicContact CE1-CG1 4.43Å; F208-V230 HydrophobicContact CE1-CG2 3.81Å; F208-V230 HydrophobicContact CG-CG2 4.27Å; F208-V230 HydrophobicContact CZ-CG2 4.41Å
209M91Very high85.7Confident0 Ų054.6 Ų54.60%031%0.305CS..Hα-helixtrans-60.2-36.3179.6-70.6-171.1-60.100112.9L205 I206 N211 C212 V230 L234 I254 I255 F262L205-M209 WeakPolarHBondContact O-CG 3.44Å; L205-M209 PolarHBondContact O-N 3.14Å; I206-M209 HydrophobicContact CD1-CE 3.38Å; I206-M209 HydrophobicContact CG1-CE 4.41Å; I206-M209 PolarHBondContact O-N 3.46Å; M209-N211 PolarHBondContact O-N 3.08Å; M209-C212 PolarHBondContact O-N 2.77Å; M209-C212 PolarHBondContact O-SG 3.32Å; M209-V230 HydrophobicContact CG-CG1 4.09Å; M209-L234 HydrophobicContact CE-CD2 3.47Å; M209-L234 VanDerWaalsContact CE-CD2 3.47Å; M209-L234 HydrophobicContact SD-CD2 3.94Å; M209-I254 HydrophobicContact CB-CG2 4.4Å; M209-I255 HydrophobicContact CE-CD1 4.43Å; M209-I255 HydrophobicContact SD-CD1 3.87Å; M209-F262 HydrophobicContact CB-CZ 4.21Å; M209-F262 HydrophobicContact CG-CZ 4.32Å
210K90.4Very high85.3Confident84 Ų8449.8 Ų49.837%0.36528%0.282SS..Hα-helixtrans-61.5-29.2177.1-75.3173.5-178.7165.30112.6I206 K207 F208 C212 E250 I254 K258I206-K210 HydrophobicContact CG2-CD 4.18Å; I206-K210 WeakPolarHBondContact O-CG 3.14Å; I206-K210 PolarHBondContact O-N 3.49Å; K207-K210 PolarHBondContact O-N 2.96Å; F208-K210 VanDerWaalsContact C-N 3.28Å; F208-K210 PolarHBondContact O-N 3.05Å; K210-C212 VanDerWaalsContact C-N 3.27Å; K210-C212 PolarHBondContact O-N 3.23Å; K210-E250 IonicContact NZ-OE1 2.63Å; K210-E250 PolarHBondContact NZ-OE1 3.17Å; K210-I254 HydrophobicContact CG-CG1 4.48Å; K210-I254 HydrophobicContact CG-CG2 4.17Å; K210-K258 PolarHBondContact O-NZ 3.34Å
211N88.4Confident84.8Confident55 Ų5551.1 Ų51.129%0.29429%0.292SS..G310 helixtrans-79.33.8-177.3-65.6-20.7000114.6K207 F208 M209 D213 S214K207-N211 VanDerWaalsContact O-CG 3.31Å; K207-N211 PolarHBondContact O-N 3.21Å; K207-N211 PolarHBondContact O-ND2 3.22Å; F208-N211 WeakPolarHBondContact O-CB 3.45Å; F208-N211 PolarHBondContact O-N 3.28Å; M209-N211 PolarHBondContact O-N 3.08Å; N211-D213 PolarHBondContact O-N 3.37Å; N211-D213 VanDerWaalsContact O-N 3.12Å; N211-S214 PolarHBondContact O-N 3.24Å; N211-S214 PolarHBondContact O-OG 2.88Å
212C85.2Confident84.3Confident9 Ų953.4 Ų53.46%0.06130%0.303CS..G310 helixtrans-59.4-26.8-178.364.90000114M209 K210 L215 F223 S261 F262M209-C212 PolarHBondContact O-N 2.77Å; M209-C212 PolarHBondContact O-SG 3.32Å; K210-C212 VanDerWaalsContact C-N 3.27Å; K210-C212 PolarHBondContact O-N 3.23Å; C212-L215 WeakPolarHBondContact O-CD1 3.25Å; C212-L215 WeakPolarHBondContact O-CG 3.16Å; C212-F223 HydrophobicContact CB-CE1 3.94Å; C212-F223 HydrophobicContact CB-CE2 4.37Å; C212-F223 HydrophobicContact CB-CZ 3.62Å; C212-S261 VanDerWaalsContact SG-CB 3.53Å; C212-F262 HydrophobicContact CB-CD1 4.49Å; C212-F262 HydrophobicContact CB-CE1 4.13Å
213D83.7Confident84.1Confident95 Ų9552.8 Ų52.851%0.50830%0.298SS..G310 helixtrans-81.8-19-176.3-57.8-26.8000113.3N211 K258 S261N211-D213 PolarHBondContact O-N 3.37Å; N211-D213 VanDerWaalsContact O-N 3.12Å; D213-K258 IonicContact OD2-NZ 2.64Å; D213-K258 PolarHBondContact OD2-NZ 3.07Å; D213-S261 WeakPolarHBondContact OD1-CB 3.37Å; D213-S261 PolarHBondContact OD1-OG 2.91Å
214S83Confident83.9Confident89 Ų8951.9 Ų51.962%0.62229%0.286SS*.G310 helixtrans-93.910.7-176.657.60000113.6N211N211-S214 PolarHBondContact O-N 3.24Å; N211-S214 PolarHBondContact O-OG 2.88Å
215L78.3Confident83.4Confident27 Ų2754.8 Ų54.814%0.14130%0.303CS..  trans-85.1135.1-172.1-58.2172.1000112.9C212 K220 F223 L265C212-L215 WeakPolarHBondContact O-CD1 3.25Å; C212-L215 WeakPolarHBondContact O-CG 3.16Å; L215-K220 HydrophobicContact CB-CG 3.76Å; L215-K220 WeakPolarHBondContact O-CE 3.43Å; L215-F223 HydrophobicContact CD1-CB 3.6Å; L215-F223 HydrophobicContact CD1-CD1 3.67Å; L215-F223 HydrophobicContact CD1-CD2 3.65Å; L215-F223 HydrophobicContact CD1-CE1 4.2Å; L215-F223 HydrophobicContact CD1-CE2 4.18Å; L215-F223 HydrophobicContact CD1-CG 3.35Å; L215-F223 HydrophobicContact CD1-CZ 4.43Å; L215-F223 HydrophobicContact CD2-CB 4.07Å; L215-F223 HydrophobicContact CD2-CD2 3.87Å; L215-F223 HydrophobicContact CD2-CG 4.17Å; L215-F223 HydrophobicContact CG-CD2 4.32Å; L215-F223 HydrophobicContact CG-CG 4.39Å; L215-L265 HydrophobicContact CD1-CD1 4.27Å; L215-L265 HydrophobicContact CD1-CD2 3.81Å
216V71.8Confident83.2Confident118 Ų11855 Ų5572%0.71530%0.304SS*.  trans-135.5134.9178.5-171.30000111Q218 S219V216-Q218 PolarHBondContact O-N 3.34Å; V216-S219 PolarHBondContact N-OG 3.18Å; V216-S219 PolarHBondContact O-N 3.11Å; V216-S219 PolarHBondContact O-OG 3.25Å
217G71.7Confident83.2Confident52 Ų5254.6 Ų54.654%0.53630%0.302SS..THydrogen-bonded Turntrans58.9-129.6172.400000113.7S219 K220G217-S219 PolarHBondContact O-N 2.75Å; G217-S219 VanDerWaalsContact O-N 3.14Å; G217-K220 WeakPolarHBondContact O-CB 3.32Å; G217-K220 PolarHBondContact O-N 3.39Å; G217-K220 VanDerWaalsContact O-N 3.12Å
218Q67.1Low83.1Confident168 Ų16849.1 Ų49.179%0.78528%0.278SS*.Hα-helixtrans-60.6-22.5-177.1-69.8-175.1-12.700114.1V216 K220 N221V216-Q218 PolarHBondContact O-N 3.34Å; Q218-K220 PolarHBondContact O-N 3.46Å; Q218-N221 PolarHBondContact O-N 2.91Å
219S75.9Confident82.9Confident26 Ų2649.7 Ų49.718%0.18228%0.28CS..Hα-helixtrans-64.9-24.4177.778.70000112.3V216 G217 F223V216-S219 PolarHBondContact N-OG 3.18Å; V216-S219 PolarHBondContact O-N 3.11Å; V216-S219 PolarHBondContact O-OG 3.25Å; G217-S219 PolarHBondContact O-N 2.75Å; G217-S219 VanDerWaalsContact O-N 3.14Å; S219-F223 VanDerWaalsContact O-CB 3.29Å; S219-F223 WeakPolarHBondContact O-CB 3.46Å; S219-F223 PolarHBondContact O-N 3.27Å
220K80.9Confident83Confident54 Ų5449.7 Ų49.724%0.23528%0.28CS..Hα-helixtrans-65.4-48.6177.4-69.3-176.3169.4-170.50112.2L215 G217 Q218 I222 F223 V224 L265 E269L215-K220 HydrophobicContact CB-CG 3.76Å; L215-K220 WeakPolarHBondContact O-CE 3.43Å; G217-K220 WeakPolarHBondContact O-CB 3.32Å; G217-K220 PolarHBondContact O-N 3.39Å; G217-K220 VanDerWaalsContact O-N 3.12Å; Q218-K220 PolarHBondContact O-N 3.46Å; K220-I222 VanDerWaalsContact C-N 3.34Å; K220-I222 PolarHBondContact O-N 2.96Å; K220-F223 WeakPolarHBondContact O-CB 3.25Å; K220-F223 PolarHBondContact O-N 2.76Å; K220-V224 WeakPolarHBondContact O-CG2 3.47Å; K220-V224 PolarHBondContact O-N 3.12Å; K220-L265 HydrophobicContact CB-CD1 3.9Å; K220-L265 HydrophobicContact CD-CD1 4.03Å; K220-L265 HydrophobicContact CG-CD1 3.85Å; K220-E269 WeakPolarHBondContact CD-OE2 3.32Å; K220-E269 WeakPolarHBondContact CE-OE2 3.48Å; K220-E269 IonicContact NZ-OE1 2.66Å; K220-E269 PolarHBondContact NZ-OE1 3.1Å; K220-E269 IonicContact NZ-OE2 3.12Å; K220-E269 PolarHBondContact NZ-OE2 2.99Å
221N79.8Confident83Confident98 Ų9845.7 Ų45.752%0.52426%0.263SS..Hα-helixtrans-63.4-42.1-178.7-72.1-10.2000111.9Q218 F223 V224 T225Q218-N221 PolarHBondContact O-N 2.91Å; N221-F223 VanDerWaalsContact C-N 3.32Å; N221-V224 PolarHBondContact O-N 3.29Å; N221-T225 PolarHBondContact O-N 2.86Å; N221-T225 VanDerWaalsContact O-N 3.09Å; N221-T225 PolarHBondContact O-OG1 3.47Å
222I81.7Confident83.1Confident48 Ų4844 Ų4425%0.24625%0.253CS..Hα-helixtrans-63.7-40.1176.1-68.9169.5000111.2T175 K220 T225 N226T175-I222 WeakPolarHBondContact O-CG2 3.28Å; K220-I222 VanDerWaalsContact C-N 3.34Å; K220-I222 PolarHBondContact O-N 2.96Å; I222-T225 PolarHBondContact O-OG1 2.99Å; I222-N226 PolarHBondContact O-N 3.21Å; I222-N226 PolarHBondContact O-ND2 3.32Å
223F86.6Confident83.4Confident7 Ų743.5 Ų43.53%0.03125%0.25CS..Hα-helixtrans-63.7-48.3176.3-177.1-84.6000110.9F208 C212 L215 S219 K220 N221 T225 N226 L227 F262 L265F208-F223 AromaticContact CD1-CE2 3.96Å; F208-F223 HydrophobicContact CD1-CE2 3.96Å; F208-F223 HydrophobicContact CD1-CZ 4.19Å; F208-F223 HydrophobicContact CD2-CD2 4.34Å; F208-F223 HydrophobicContact CD2-CE2 4.21Å; F208-F223 AromaticContact CE1-CD2 3.95Å; F208-F223 HydrophobicContact CE1-CD2 3.95Å; F208-F223 HydrophobicContact CE1-CE1 4.2Å; F208-F223 AromaticContact CE1-CE2 3.56Å; F208-F223 HydrophobicContact CE1-CE2 3.56Å; F208-F223 HydrophobicContact CE1-CG 4.43Å; F208-F223 AromaticContact CE1-CZ 3.7Å; F208-F223 HydrophobicContact CE1-CZ 3.7Å; F208-F223 AromaticContact CE2-CD2 3.62Å; F208-F223 HydrophobicContact CE2-CD2 3.62Å; F208-F223 AromaticContact CE2-CE2 3.85Å; F208-F223 HydrophobicContact CE2-CE2 3.85Å; F208-F223 HydrophobicContact CE2-CG 4.37Å; F208-F223 HydrophobicContact CG-CE2 4.27Å; F208-F223 HydrophobicContact CZ-CD1 4.29Å; F208-F223 AromaticContact CZ-CD2 3.39Å; F208-F223 HydrophobicContact CZ-CD2 3.39Å; F208-F223 HydrophobicContact CZ-CE1 4.39Å; F208-F223 AromaticContact CZ-CE2 3.51Å; F208-F223 HydrophobicContact CZ-CE2 3.51Å; F208-F223 AromaticContact CZ-CG 3.82Å; F208-F223 HydrophobicContact CZ-CG 3.82Å; F208-F223 HydrophobicContact CZ-CZ 4.02Å; F208-F223 VanDerWaalsContact O-CE2 3.32Å; F208-F223 WeakPolarHBondContact O-CE2 3.43Å; C212-F223 HydrophobicContact CB-CE1 3.94Å; C212-F223 HydrophobicContact CB-CE2 4.37Å; C212-F223 HydrophobicContact CB-CZ 3.62Å; L215-F223 HydrophobicContact CD1-CB 3.6Å; L215-F223 HydrophobicContact CD1-CD1 3.67Å; L215-F223 HydrophobicContact CD1-CD2 3.65Å; L215-F223 HydrophobicContact CD1-CE1 4.2Å; L215-F223 HydrophobicContact CD1-CE2 4.18Å; L215-F223 HydrophobicContact CD1-CG 3.35Å; L215-F223 HydrophobicContact CD1-CZ 4.43Å; L215-F223 HydrophobicContact CD2-CB 4.07Å; L215-F223 HydrophobicContact CD2-CD2 3.87Å; L215-F223 HydrophobicContact CD2-CG 4.17Å; L215-F223 HydrophobicContact CG-CD2 4.32Å; L215-F223 HydrophobicContact CG-CG 4.39Å; S219-F223 VanDerWaalsContact O-CB 3.29Å; S219-F223 WeakPolarHBondContact O-CB 3.46Å; S219-F223 PolarHBondContact O-N 3.27Å; K220-F223 WeakPolarHBondContact O-CB 3.25Å; K220-F223 PolarHBondContact O-N 2.76Å; N221-F223 VanDerWaalsContact C-N 3.32Å; F223-T225 VanDerWaalsContact C-N 3.33Å; F223-T225 PolarHBondContact O-N 3.49Å; F223-N226 PolarHBondContact O-N 3.45Å; F223-L227 HydrophobicContact CD1-CB 4.39Å; F223-L227 HydrophobicContact CE1-CB 4.3Å; F223-L227 HydrophobicContact CE1-CD1 4.16Å; F223-L227 HydrophobicContact CE1-CD2 4.15Å; F223-L227 HydrophobicContact CE1-CG 4.44Å; F223-L227 WeakPolarHBondContact O-CB 3.4Å; F223-L227 PolarHBondContact O-N 2.9Å; F223-F262 HydrophobicContact CE1-CE1 4.19Å; F223-F262 HydrophobicContact CZ-CE1 4.35Å; F223-L265 HydrophobicContact CD1-CD2 3.39Å; F223-L265 HydrophobicContact CE1-CD2 3.63Å; F223-L265 HydrophobicContact CG-CD2 4.39Å
224V85.7Confident83.7Confident18 Ų1839.1 Ų39.111%0.10923%0.226CC..Hα-helixtrans-60.3-42.5-179.2172.80000111.4K220 N221 N226 L227 L265 V266 T390K220-V224 WeakPolarHBondContact O-CG2 3.47Å; K220-V224 PolarHBondContact O-N 3.12Å; N221-V224 PolarHBondContact O-N 3.29Å; V224-N226 PolarHBondContact O-N 3.29Å; V224-L227 WeakPolarHBondContact O-CB 3.46Å; V224-L227 PolarHBondContact O-N 3.46Å; V224-L265 HydrophobicContact CG2-CD1 4.31Å; V224-L265 HydrophobicContact CG2-CD2 3.99Å; V224-L265 HydrophobicContact CG2-CG 3.75Å; V224-V266 HydrophobicContact CG2-CG2 4.48Å; V224-T390 HydrophobicContact CG1-CG2 4.23Å; V224-T390 WeakPolarHBondContact O-CG2 3.36Å; V224-T390 PolarHBondContact O-OG1 3.37Å
225T82.5Confident83.8Confident69 Ų6935.4 Ų35.442%0.42320%0.199SC..Hα-helixtrans-67.1-33.7178.549.60000113.3L178 N221 I222 F223L178-T225 WeakPolarHBondContact CD2-OG1 3.31Å; N221-T225 PolarHBondContact O-N 2.86Å; N221-T225 VanDerWaalsContact O-N 3.09Å; N221-T225 PolarHBondContact O-OG1 3.47Å; I222-T225 PolarHBondContact O-OG1 2.99Å; F223-T225 VanDerWaalsContact C-N 3.33Å; F223-T225 PolarHBondContact O-N 3.49Å
226N88.9Confident84.2Confident4 Ų435.2 Ų35.22%0.02120%0.196CC..Hα-helixtrans-75.4-33171.7-81.5-78.1000112.5L171 L177 L178 P179 A180 F208 I222 F223 V224 G228 W229 V230L171-N226 HydrophobicContact CD2-CB 4.3Å; L177-N226 PolarHBondContact O-ND2 2.74Å; L178-N226 WeakPolarHBondContact CA-OD1 3.28Å; P179-N226 VanDerWaalsContact CD-OD1 3.25Å; P179-N226 WeakPolarHBondContact CD-OD1 3.5Å; A180-N226 HydrophobicContact CB-CB 4.34Å; A180-N226 PolarHBondContact N-OD1 2.84Å; F208-N226 HydrophobicContact CE2-CB 4Å; F208-N226 HydrophobicContact CZ-CB 3.67Å; I222-N226 PolarHBondContact O-N 3.21Å; I222-N226 PolarHBondContact O-ND2 3.32Å; F223-N226 PolarHBondContact O-N 3.45Å; V224-N226 PolarHBondContact O-N 3.29Å; N226-G228 VanDerWaalsContact C-N 3.31Å; N226-G228 PolarHBondContact O-N 3.18Å; N226-W229 PolarHBondContact O-N 2.88Å; N226-W229 VanDerWaalsContact O-N 3.11Å; N226-V230 WeakPolarHBondContact O-CG2 3.34Å; N226-V230 PolarHBondContact O-N 3.28Å
227L90.7Very high84.9Confident0 Ų029.6 Ų29.60%016%0.162CC..Hα-helixtrans-55.8-43.6-175179.364.4000112.1F208 F223 V224 W229 V230 C231 F262 V266 T390F208-L227 HydrophobicContact CE1-CB 4.32Å; F208-L227 HydrophobicContact CE1-CD1 4.21Å; F223-L227 HydrophobicContact CD1-CB 4.39Å; F223-L227 HydrophobicContact CE1-CB 4.3Å; F223-L227 HydrophobicContact CE1-CD1 4.16Å; F223-L227 HydrophobicContact CE1-CD2 4.15Å; F223-L227 HydrophobicContact CE1-CG 4.44Å; F223-L227 WeakPolarHBondContact O-CB 3.4Å; F223-L227 PolarHBondContact O-N 2.9Å; V224-L227 WeakPolarHBondContact O-CB 3.46Å; V224-L227 PolarHBondContact O-N 3.46Å; L227-W229 PolarHBondContact O-N 3.07Å; L227-V230 PolarHBondContact O-N 3.35Å; L227-C231 WeakPolarHBondContact O-CB 3.18Å; L227-C231 PolarHBondContact O-N 3.41Å; L227-C231 PolarHBondContact O-SG 2.9Å; L227-F262 HydrophobicContact CD1-CD1 4.48Å; L227-F262 HydrophobicContact CD1-CE1 3.78Å; L227-F262 HydrophobicContact CD1-CZ 4.26Å; L227-F262 HydrophobicContact CD2-CD1 3.92Å; L227-F262 HydrophobicContact CD2-CE1 4.02Å; L227-V266 HydrophobicContact CD2-CG2 3.84Å; L227-T390 HydrophobicContact CB-CG2 4.05Å; L227-T390 HydrophobicContact CD2-CG2 4.03Å; L227-T390 HydrophobicContact CG-CG2 4.09Å
228G88.5Confident85.4Confident0 Ų027.2 Ų27.20%014%0.137CC..Hα-helixtrans-54.9-53.8176.300000111.7N226 V230 C231 H232 L388 T390N226-G228 VanDerWaalsContact C-N 3.31Å; N226-G228 PolarHBondContact O-N 3.18Å; G228-V230 VanDerWaalsContact C-N 3.3Å; G228-V230 PolarHBondContact O-N 3.4Å; G228-C231 PolarHBondContact O-N 3.22Å; G228-H232 PolarHBondContact O-N 3.35Å; G228-L388 WeakPolarHBondContact O-CD2 3.45Å; G228-T390 WeakPolarHBondContact CA-OG1 3.42Å; G228-T390 PolarHBondContact N-OG1 3.43Å
229W89.8Confident85.9Confident22 Ų2219.3 Ų19.38%0.08310%0.101CC..Hα-helixtrans-63.4-36.3179.9-68.7102.1000112.4A180 R181 C184 F185 N226 L227 H232 L233 L388A180-W229 HydrophobicContact CB-CB 3.48Å; A180-W229 VanDerWaalsContact CB-CB 3.48Å; A180-W229 HydrophobicContact CB-CG 4.49Å; R181-W229 HydrophobicContact CB-CD2 3.84Å; R181-W229 HydrophobicContact CB-CE3 4.41Å; R181-W229 HydrophobicContact CB-CG 4.02Å; R181-W229 HydrophobicContact CB-CZ2 4.33Å; R181-W229 HydrophobicContact CG-CD2 4.07Å; R181-W229 HydrophobicContact CG-CE3 4.36Å; R181-W229 HydrophobicContact CG-CH2 4.06Å; R181-W229 HydrophobicContact CG-CZ2 3.72Å; R181-W229 HydrophobicContact CG-CZ3 4.36Å; C184-W229 HydrophobicContact CB-CE3 4.16Å; C184-W229 HydrophobicContact CB-CZ3 4.47Å; F185-W229 HydrophobicContact CZ-CH2 4.4Å; N226-W229 PolarHBondContact O-N 2.88Å; N226-W229 VanDerWaalsContact O-N 3.11Å; L227-W229 PolarHBondContact O-N 3.07Å; W229-H232 PolarHBondContact O-N 2.85Å; W229-L233 WeakPolarHBondContact O-CB 3.29Å; W229-L233 PolarHBondContact O-N 2.89Å; W229-L388 HydrophobicContact CE3-CD1 4.33Å; W229-L388 HydrophobicContact CH2-CB 4.42Å; W229-L388 HydrophobicContact CZ2-CB 4.16Å; W229-L388 HydrophobicContact CZ3-CD1 4.41Å
230V92.8Very high85.9Confident0 Ų022.2 Ų22.20%011%0.114CC..Hα-helixtrans-62.6-47.5174168.60000111L171 A180 L205 F208 M209 N226 L227 G228 H232 L233 L234L171-V230 HydrophobicContact CD2-CG2 4.14Å; A180-V230 HydrophobicContact CB-CG2 3.77Å; L205-V230 HydrophobicContact CB-CG1 4.05Å; L205-V230 HydrophobicContact CD2-CB 4.38Å; L205-V230 HydrophobicContact CD2-CG1 4.02Å; L205-V230 HydrophobicContact CD2-CG2 4.01Å; L205-V230 HydrophobicContact CG-CG1 4.47Å; F208-V230 HydrophobicContact CD1-CB 4.18Å; F208-V230 HydrophobicContact CD1-CG1 3.95Å; F208-V230 HydrophobicContact CD1-CG2 3.73Å; F208-V230 HydrophobicContact CE1-CB 4.23Å; F208-V230 HydrophobicContact CE1-CG1 4.43Å; F208-V230 HydrophobicContact CE1-CG2 3.81Å; F208-V230 HydrophobicContact CG-CG2 4.27Å; F208-V230 HydrophobicContact CZ-CG2 4.41Å; M209-V230 HydrophobicContact CG-CG1 4.09Å; N226-V230 WeakPolarHBondContact O-CG2 3.34Å; N226-V230 PolarHBondContact O-N 3.28Å; L227-V230 PolarHBondContact O-N 3.35Å; G228-V230 VanDerWaalsContact C-N 3.3Å; G228-V230 PolarHBondContact O-N 3.4Å; V230-H232 VanDerWaalsContact C-N 3.33Å; V230-H232 PolarHBondContact O-N 3.45Å; V230-L233 PolarHBondContact O-N 3.33Å; V230-L234 VanDerWaalsContact O-CB 3.24Å; V230-L234 WeakPolarHBondContact O-CB 3.14Å; V230-L234 PolarHBondContact O-N 3.46Å
231C90.9Very high85.7Confident0 Ų021.6 Ų21.60%012%0.115CC..Hα-helixtrans-60.3-44.7176.2-70.50000111.1L227 G228 L234 R235 E393 L397L227-C231 WeakPolarHBondContact O-CB 3.18Å; L227-C231 PolarHBondContact O-N 3.41Å; L227-C231 PolarHBondContact O-SG 2.9Å; G228-C231 PolarHBondContact O-N 3.22Å; C231-L234 PolarHBondContact O-N 2.88Å; C231-R235 WeakPolarHBondContact O-CG 3.44Å; C231-R235 PolarHBondContact O-N 2.94Å; C231-E393 HydrophobicContact CB-CB 3.88Å; C231-L397 HydrophobicContact CB-CD2 4.08Å
232H89.1Confident85.5Confident19 Ų1918 Ų189%0.0889%0.094CC..Hα-helixtrans-59.7-49.8177.8-172.787.8000112.4G228 W229 V230 L234 R235 W236 L388 E393G228-H232 PolarHBondContact O-N 3.35Å; W229-H232 PolarHBondContact O-N 2.85Å; V230-H232 VanDerWaalsContact C-N 3.33Å; V230-H232 PolarHBondContact O-N 3.45Å; H232-L234 VanDerWaalsContact C-N 3.34Å; H232-L234 PolarHBondContact O-N 3.46Å; H232-R235 PolarHBondContact O-N 2.51Å; H232-W236 PolarHBondContact O-N 3.23Å; H232-L388 HydrophobicContact CB-CD1 3.69Å; H232-E393 VanDerWaalsContact CA-OE2 3.3Å; H232-E393 WeakPolarHBondContact CA-OE2 3.43Å; H232-E393 HydrophobicContact CB-CG 4.31Å; H232-E393 IonicContact CG-OE1 3.88Å; H232-E393 IonicContact ND1-OE1 2.76Å; H232-E393 PolarHBondContact ND1-OE1 3.46Å; H232-E393 IonicContact ND1-OE2 3.91Å
233L91.3Very high84.7Confident0 Ų016.7 Ų16.70%09%0.088CC..Hα-helixtrans-64.7-39.6178.6-174.255.5000111.8L183 I187 I201 L205 W229 V230 W236 L237 L372L183-L233 HydrophobicContact CB-CD2 4.44Å; L183-L233 HydrophobicContact CD2-CD2 3.7Å; L183-L233 HydrophobicContact CG-CD2 3.73Å; I187-L233 HydrophobicContact CB-CD1 4.43Å; I187-L233 HydrophobicContact CG1-CD1 4.47Å; I187-L233 HydrophobicContact CG2-CD1 4.41Å; I201-L233 HydrophobicContact CG2-CD2 4.15Å; L205-L233 HydrophobicContact CD1-CB 4.14Å; L205-L233 HydrophobicContact CD1-CD2 3.95Å; L205-L233 HydrophobicContact CD1-CG 3.91Å; L205-L233 HydrophobicContact CD2-CD2 4.23Å; W229-L233 WeakPolarHBondContact O-CB 3.29Å; W229-L233 PolarHBondContact O-N 2.89Å; V230-L233 PolarHBondContact O-N 3.33Å; L233-W236 HydrophobicContact CD1-CE3 4.3Å; L233-W236 WeakPolarHBondContact O-CB 3.18Å; L233-W236 PolarHBondContact O-N 2.98Å; L233-L237 HydrophobicContact CG-CD1 4.26Å; L233-L237 VanDerWaalsContact O-CG 3.32Å; L233-L237 WeakPolarHBondContact O-CG 3.45Å; L233-L237 PolarHBondContact O-N 3.24Å; L233-L372 HydrophobicContact CD1-CD1 3.86Å
234L90.7Very high83.7Confident2 Ų220 Ų201%0.0111%0.106CC..Hα-helixtrans-63.2-44.7177.3-175.563.9000111.2L205 M209 V230 C231 H232 W236 L237 L238 V251 L397L205-L234 HydrophobicContact CD1-CB 4.31Å; M209-L234 HydrophobicContact CE-CD2 3.47Å; M209-L234 VanDerWaalsContact CE-CD2 3.47Å; M209-L234 HydrophobicContact SD-CD2 3.94Å; V230-L234 VanDerWaalsContact O-CB 3.24Å; V230-L234 WeakPolarHBondContact O-CB 3.14Å; V230-L234 PolarHBondContact O-N 3.46Å; C231-L234 PolarHBondContact O-N 2.88Å; H232-L234 VanDerWaalsContact C-N 3.34Å; H232-L234 PolarHBondContact O-N 3.46Å; L234-W236 VanDerWaalsContact C-N 3.29Å; L234-W236 PolarHBondContact O-N 2.9Å; L234-L237 PolarHBondContact O-N 3.47Å; L234-L238 HydrophobicContact CG-CD1 4.31Å; L234-L238 WeakPolarHBondContact O-CB 3.43Å; L234-L238 VanDerWaalsContact O-CG 3.3Å; L234-L238 WeakPolarHBondContact O-CG 3.35Å; L234-L238 PolarHBondContact O-N 3.23Å; L234-V251 HydrophobicContact CD1-CG2 4.11Å; L234-V251 HydrophobicContact CD2-CG1 3.89Å; L234-V251 HydrophobicContact CD2-CG2 4.5Å; L234-L397 HydrophobicContact CD2-CD1 4.16Å; L234-L397 HydrophobicContact CD2-CD2 4.11Å
235R85.5Confident82.8Confident12 Ų1221.1 Ų21.15%0.04511%0.111CC..Hα-helixtrans-58.3-44.3173.1-68.6-170.9-51.7118.7-1.8110.7C231 H232 L237 L238 S239 P370 E393 L397 W400C231-R235 WeakPolarHBondContact O-CG 3.44Å; C231-R235 PolarHBondContact O-N 2.94Å; H232-R235 PolarHBondContact O-N 2.51Å; R235-L237 PolarHBondContact O-N 3.14Å; R235-L238 PolarHBondContact O-N 3.5Å; R235-S239 PolarHBondContact O-N 2.91Å; R235-S239 PolarHBondContact O-OG 3.3Å; R235-S239 VanDerWaalsContact O-OG 3.14Å; R235-P370 HydrophobicContact CB-CB 4.38Å; R235-P370 HydrophobicContact CB-CG 3.86Å; R235-E393 IonicContact CZ-OE1 2.91Å; R235-E393 IonicContact CZ-OE2 2.78Å; R235-E393 IonicContact NE-OE2 2.77Å; R235-E393 PolarHBondContact NE-OE2 2.89Å; R235-E393 IonicContact NH2-OE1 3.59Å; R235-E393 PolarHBondContact NH2-OE1 3.13Å; R235-E393 IonicContact NH2-OE2 3.79Å; R235-E393 PolarHBondContact NH2-OE2 3.47Å; R235-L397 HydrophobicContact CG-CB 4.22Å; R235-L397 HydrophobicContact CG-CD1 3.91Å; R235-W400 HydrophobicContact CB-CE3 4.13Å; R235-W400 HydrophobicContact CB-CH2 4.08Å; R235-W400 HydrophobicContact CB-CZ3 3.81Å; R235-W400 HydrophobicContact CG-CD2 4.35Å; R235-W400 HydrophobicContact CG-CE3 4.09Å; R235-W400 HydrophobicContact CG-CZ3 4.29Å; R235-W400 VanDerWaalsContact O-CZ3 3.27Å; R235-W400 WeakPolarHBondContact O-CZ3 3.23Å
236W85.4Confident82.1Confident22 Ų2221.1 Ų21.18%0.08311%0.114CC..Hα-helixtrans-61.2-42.2177.3-176.690.8000112.9I187 F198 H232 L233 L234 S239 N240 V241 P370 L372I187-W236 HydrophobicContact CG2-CE3 4.06Å; I187-W236 HydrophobicContact CG2-CH2 3.67Å; I187-W236 HydrophobicContact CG2-CZ2 4.41Å; I187-W236 HydrophobicContact CG2-CZ3 3.46Å; I187-W236 VanDerWaalsContact CG2-CZ3 3.46Å; F198-W236 HydrophobicContact CE1-CH2 4.32Å; F198-W236 AromaticContact CE1-CZ3 3.95Å; F198-W236 HydrophobicContact CE1-CZ3 3.95Å; F198-W236 HydrophobicContact CZ-CH2 4.41Å; F198-W236 HydrophobicContact CZ-CZ3 4.45Å; H232-W236 PolarHBondContact O-N 3.23Å; L233-W236 HydrophobicContact CD1-CE3 4.3Å; L233-W236 WeakPolarHBondContact O-CB 3.18Å; L233-W236 PolarHBondContact O-N 2.98Å; L234-W236 VanDerWaalsContact C-N 3.29Å; L234-W236 PolarHBondContact O-N 2.9Å; W236-S239 PolarHBondContact O-N 2.49Å; W236-S239 PolarHBondContact O-OG 3.01Å; W236-S239 VanDerWaalsContact O-OG 3.07Å; W236-N240 HydrophobicContact CD2-CB 4.43Å; W236-N240 HydrophobicContact CZ2-CB 4.2Å; W236-N240 PolarHBondContact NE1-ND2 3.3Å; W236-N240 WeakPolarHBondContact O-CB 3.3Å; W236-N240 PolarHBondContact O-N 2.75Å; W236-N240 PolarHBondContact O-ND2 3.41Å; W236-V241 HydrophobicContact CH2-CG2 4.28Å; W236-V241 HydrophobicContact CZ3-CG2 3.88Å; W236-P370 HydrophobicContact CB-CB 4.21Å; W236-P370 HydrophobicContact CB-CG 4.02Å; W236-P370 VanDerWaalsContact CD1-O 3.28Å; W236-L372 HydrophobicContact CB-CD1 4.24Å; W236-L372 HydrophobicContact CB-CG 4.18Å; W236-L372 HydrophobicContact CD2-CD1 3.33Å; W236-L372 HydrophobicContact CD2-CG 3.92Å; W236-L372 HydrophobicContact CE3-CD1 3.73Å; W236-L372 HydrophobicContact CG-CD1 3.55Å; W236-L372 HydrophobicContact CG-CG 3.6Å; W236-L372 HydrophobicContact CH2-CD1 4.48Å; W236-L372 HydrophobicContact CZ2-CD1 4.15Å; W236-L372 HydrophobicContact CZ3-CD1 4.29Å
237L86.5Confident81.1Confident0 Ų023.7 Ų23.70%013%0.128CC..Hα-helixtrans-64.4-44.1176.1-71.8169.6000111.2F198 I201 L205 L233 L234 R235 S239 N240 V241 Y242F198-L237 HydrophobicContact CD1-CD2 3.63Å; F198-L237 HydrophobicContact CE1-CD2 4.11Å; F198-L237 HydrophobicContact CG-CD2 4.43Å; I201-L237 HydrophobicContact CG2-CD1 4.04Å; L205-L237 HydrophobicContact CD1-CD1 3.75Å; L233-L237 HydrophobicContact CG-CD1 4.26Å; L233-L237 VanDerWaalsContact O-CG 3.32Å; L233-L237 WeakPolarHBondContact O-CG 3.45Å; L233-L237 PolarHBondContact O-N 3.24Å; L234-L237 PolarHBondContact O-N 3.47Å; R235-L237 PolarHBondContact O-N 3.14Å; L237-S239 VanDerWaalsContact C-N 3.29Å; L237-S239 PolarHBondContact O-N 3.18Å; L237-N240 PolarHBondContact O-N 3.49Å; L237-V241 HydrophobicContact CD2-CB 4.24Å; L237-V241 HydrophobicContact CD2-CG2 3.87Å; L237-V241 CarbonylContact O-C 3.59Å; L237-V241 WeakPolarHBondContact O-CA 3.28Å; L237-V241 WeakPolarHBondContact O-CB 3.45Å; L237-V241 PolarHBondContact O-N 3.06Å; L237-Y242 HydrophobicContact CB-CD2 3.92Å; L237-Y242 HydrophobicContact CB-CE2 4.11Å; L237-Y242 HydrophobicContact CD2-CE2 4.47Å; L237-Y242 PolarHBondContact O-N 2.97Å
238L82.6Confident80.4Confident2 Ų224.2 Ų24.21%0.0113%0.13CC..Hα-helixtrans-62.8-34.4177.5-72.5175.9000112.9L234 R235 Y242 W248 V251 L397 W400L234-L238 HydrophobicContact CG-CD1 4.31Å; L234-L238 WeakPolarHBondContact O-CB 3.43Å; L234-L238 VanDerWaalsContact O-CG 3.3Å; L234-L238 WeakPolarHBondContact O-CG 3.35Å; L234-L238 PolarHBondContact O-N 3.23Å; R235-L238 PolarHBondContact O-N 3.5Å; L238-Y242 VanDerWaalsContact O-O 3.12Å; L238-W248 HydrophobicContact CB-CH2 4.21Å; L238-W248 HydrophobicContact CB-CZ2 3.67Å; L238-W248 HydrophobicContact CD1-CE3 4.43Å; L238-W248 HydrophobicContact CD1-CH2 4.21Å; L238-W248 HydrophobicContact CD1-CZ2 4.34Å; L238-W248 HydrophobicContact CD1-CZ3 4.28Å; L238-W248 HydrophobicContact CD2-CD2 4Å; L238-W248 HydrophobicContact CD2-CG 4.06Å; L238-W248 HydrophobicContact CD2-CZ2 4.4Å; L238-W248 HydrophobicContact CG-CZ2 4.36Å; L238-V251 HydrophobicContact CD1-CG1 4.22Å; L238-V251 HydrophobicContact CD2-CG2 4.17Å; L238-L397 HydrophobicContact CD1-CD1 4.47Å; L238-W400 HydrophobicContact CB-CZ3 4.39Å
239S77.3Confident79.8Confident3 Ų328.6 Ų28.62%0.02115%0.15CC..Hα-helixtrans-82.4-32.1179.257.70000114.4R235 W236 L237 S360R235-S239 PolarHBondContact O-N 2.91Å; R235-S239 PolarHBondContact O-OG 3.3Å; R235-S239 VanDerWaalsContact O-OG 3.14Å; W236-S239 PolarHBondContact O-N 2.49Å; W236-S239 PolarHBondContact O-OG 3.01Å; W236-S239 VanDerWaalsContact O-OG 3.07Å; L237-S239 VanDerWaalsContact C-N 3.29Å; L237-S239 PolarHBondContact O-N 3.18Å; S239-S360 VanDerWaalsContact O-CB 3.27Å; S239-S360 WeakPolarHBondContact O-CB 3.48Å; S239-S360 PolarHBondContact O-OG 3.27Å
240N76.5Confident79.4Confident86 Ų8632.6 Ų32.646%0.4617%0.17SC..Hα-helixtrans-112.4-24.7-169.4-62.8-81.3000114.7W236 L237W236-N240 HydrophobicContact CD2-CB 4.43Å; W236-N240 HydrophobicContact CZ2-CB 4.2Å; W236-N240 PolarHBondContact NE1-ND2 3.3Å; W236-N240 WeakPolarHBondContact O-CB 3.3Å; W236-N240 PolarHBondContact O-N 2.75Å; W236-N240 PolarHBondContact O-ND2 3.41Å; L237-N240 PolarHBondContact O-N 3.49Å
241V77.2Confident78.9Confident41 Ų4132.9 Ų32.925%0.24817%0.172CC..THydrogen-bonded Turntrans-117.5-50.1-172.5-177.40000111.3F198 W236 L237 T243F198-V241 HydrophobicContact CB-CG1 4.08Å; F198-V241 HydrophobicContact CD1-CG2 4.29Å; F198-V241 HydrophobicContact CD2-CG1 3.96Å; F198-V241 HydrophobicContact CD2-CG2 4.37Å; F198-V241 HydrophobicContact CE1-CG2 4.17Å; F198-V241 HydrophobicContact CE2-CG2 4.25Å; F198-V241 HydrophobicContact CG-CG1 3.99Å; F198-V241 HydrophobicContact CG-CG2 4.38Å; F198-V241 HydrophobicContact CZ-CG2 4.14Å; W236-V241 HydrophobicContact CH2-CG2 4.28Å; W236-V241 HydrophobicContact CZ3-CG2 3.88Å; L237-V241 HydrophobicContact CD2-CB 4.24Å; L237-V241 HydrophobicContact CD2-CG2 3.87Å; L237-V241 CarbonylContact O-C 3.59Å; L237-V241 WeakPolarHBondContact O-CA 3.28Å; L237-V241 WeakPolarHBondContact O-CB 3.45Å; L237-V241 PolarHBondContact O-N 3.06Å; V241-T243 PolarHBondContact O-N 3.38Å
242Y75.5Confident78.7Confident22 Ų2233.4 Ų33.49%0.08618%0.175CC..  trans-99.865.1-175.9-64.7-57.9000111F198 H199 S202 L237 L238 N244 D247 W248F198-Y242 PolarHBondContact O-OH 2.95Å; F198-Y242 VanDerWaalsContact O-OH 3.09Å; H199-Y242 WeakPolarHBondContact CA-OH 3.45Å; H199-Y242 PolarHBondContact N-OH 3.39Å; S202-Y242 PolarHBondContact OG-OH 3.2Å; L237-Y242 HydrophobicContact CB-CD2 3.92Å; L237-Y242 HydrophobicContact CB-CE2 4.11Å; L237-Y242 HydrophobicContact CD2-CE2 4.47Å; L237-Y242 PolarHBondContact O-N 2.97Å; L238-Y242 VanDerWaalsContact O-O 3.12Å; Y242-N244 VanDerWaalsContact C-N 3.27Å; Y242-N244 PolarHBondContact O-N 2.94Å; Y242-D247 HydrophobicContact CD1-CB 3.89Å; Y242-D247 HydrophobicContact CG-CB 4.06Å; Y242-W248 PolarHBondContact O-NE1 3.41Å
243T65.2Low78.4Confident21 Ų2135 Ų3513%0.12919%0.186CC..  trans-77.6-12.8-176.557.80000113.3V241V241-T243 PolarHBondContact O-N 3.38Å
244N65.4Low78.2Confident78 Ų7835.1 Ų35.142%0.41719%0.186SC..SBendtrans-83.5143.9-177.8-63.9-32000111.8Y242 S246 D247Y242-N244 VanDerWaalsContact C-N 3.27Å; Y242-N244 PolarHBondContact O-N 2.94Å; N244-S246 PolarHBondContact O-N 2.86Å; N244-S246 VanDerWaalsContact O-N 3.16Å; N244-D247 WeakPolarHBondContact CB-OD2 3.28Å; N244-D247 WeakPolarHBondContact O-CB 3.37Å; N244-D247 PolarHBondContact O-N 3.48Å
245I66.3Low78Confident41 Ų4135 Ų3521%0.2119%0.186CC..THydrogen-bonded Turntrans-56.6-30.4178.8-70.4179.3000113F404 Y407 K408I245-F404 HydrophobicContact CG2-CZ 4.37Å; I245-Y407 HydrophobicContact CD1-CE1 4.08Å; I245-K408 HydrophobicContact CG2-CD 4.28Å; I245-K408 HydrophobicContact CG2-CG 4.43Å; I245-K408 PolarHBondContact O-NZ 2.94Å
246S66.9Low78Confident69 Ų6935.4 Ų35.448%0.48319%0.188SC..THydrogen-bonded Turntrans-67.2-40.117649.60000112.3N244 W248 Q249N244-S246 PolarHBondContact O-N 2.86Å; N244-S246 VanDerWaalsContact O-N 3.16Å; S246-W248 PolarHBondContact O-N 3.26Å; S246-Q249 WeakPolarHBondContact O-CB 3.33Å; S246-Q249 WeakPolarHBondContact O-CG 3.43Å; S246-Q249 PolarHBondContact O-N 2.63Å; S246-Q249 VanDerWaalsContact O-N 3.1Å
247D68.7Low78.1Confident58 Ų5838.2 Ų38.231%0.3120%0.202SC..Hα-helixtrans-69.9-26.8-171.1-54.3-21.2000111.5Y242 N244 Q249Y242-D247 HydrophobicContact CD1-CB 3.89Å; Y242-D247 HydrophobicContact CG-CB 4.06Å; N244-D247 WeakPolarHBondContact CB-OD2 3.28Å; N244-D247 WeakPolarHBondContact O-CB 3.37Å; N244-D247 PolarHBondContact O-N 3.48Å; D247-Q249 VanDerWaalsContact C-N 3.34Å
248W75.6Confident78.3Confident11 Ų1139.4 Ų39.44%0.04221%0.207CC..Hα-helixtrans-73.1-22.5176-77.462.6000113.7L238 Y242 S246 E250 V251 V252 F364 W400 F404L238-W248 HydrophobicContact CB-CH2 4.21Å; L238-W248 HydrophobicContact CB-CZ2 3.67Å; L238-W248 HydrophobicContact CD1-CE3 4.43Å; L238-W248 HydrophobicContact CD1-CH2 4.21Å; L238-W248 HydrophobicContact CD1-CZ2 4.34Å; L238-W248 HydrophobicContact CD1-CZ3 4.28Å; L238-W248 HydrophobicContact CD2-CD2 4Å; L238-W248 HydrophobicContact CD2-CG 4.06Å; L238-W248 HydrophobicContact CD2-CZ2 4.4Å; L238-W248 HydrophobicContact CG-CZ2 4.36Å; Y242-W248 PolarHBondContact O-NE1 3.41Å; S246-W248 PolarHBondContact O-N 3.26Å; W248-E250 PolarHBondContact O-N 2.87Å; W248-V251 PolarHBondContact O-N 2.91Å; W248-V252 VanDerWaalsContact O-CG2 3.28Å; W248-V252 WeakPolarHBondContact O-CG2 3.45Å; W248-V252 PolarHBondContact O-N 2.96Å; W248-F364 HydrophobicContact CH2-CE1 4.01Å; W248-F364 AromaticContact CH2-CZ 3.54Å; W248-F364 HydrophobicContact CH2-CZ 3.54Å; W248-F364 AromaticContact CZ2-CZ 3.75Å; W248-F364 HydrophobicContact CZ2-CZ 3.75Å; W248-W400 HydrophobicContact CH2-CB 4.42Å; W248-W400 AromaticContact CH2-CE3 3.81Å; W248-W400 HydrophobicContact CH2-CE3 3.81Å; W248-W400 HydrophobicContact CH2-CZ3 4.47Å; W248-W400 HydrophobicContact CZ3-CB 4.34Å; W248-F404 HydrophobicContact CB-CD1 4.14Å; W248-F404 HydrophobicContact CB-CD2 4.47Å; W248-F404 HydrophobicContact CB-CE1 3.43Å; W248-F404 VanDerWaalsContact CB-CE1 3.43Å; W248-F404 HydrophobicContact CB-CE2 3.83Å; W248-F404 HydrophobicContact CB-CZ 3.23Å; W248-F404 HydrophobicContact CD2-CD1 4.43Å; W248-F404 AromaticContact CD2-CD2 3.8Å; W248-F404 HydrophobicContact CD2-CD2 3.8Å; W248-F404 HydrophobicContact CD2-CE1 4.45Å; W248-F404 AromaticContact CD2-CE2 3.84Å; W248-F404 HydrophobicContact CD2-CE2 3.84Å; W248-F404 HydrophobicContact CD2-CG 4.09Å; W248-F404 HydrophobicContact CD2-CZ 4.15Å; W248-F404 HydrophobicContact CE3-CB 3.76Å; W248-F404 AromaticContact CE3-CD1 3.83Å; W248-F404 HydrophobicContact CE3-CD1 3.83Å; W248-F404 AromaticContact CE3-CD2 3.57Å; W248-F404 HydrophobicContact CE3-CD2 3.57Å; W248-F404 HydrophobicContact CE3-CE1 4.27Å; W248-F404 HydrophobicContact CE3-CE2 4.05Å; W248-F404 AromaticContact CE3-CG 3.43Å; W248-F404 HydrophobicContact CE3-CG 3.43Å; W248-F404 VanDerWaalsContact CE3-CG 3.43Å; W248-F404 HydrophobicContact CE3-CZ 4.35Å; W248-F404 HydrophobicContact CG-CD2 4.21Å; W248-F404 HydrophobicContact CG-CE1 4.17Å; W248-F404 AromaticContact CG-CE2 3.75Å; W248-F404 HydrophobicContact CG-CE2 3.75Å; W248-F404 AromaticContact CG-CZ 3.7Å; W248-F404 HydrophobicContact CG-CZ 3.7Å; W248-F404 HydrophobicContact CZ3-CB 3.79Å; W248-F404 HydrophobicContact CZ3-CD2 4.14Å; W248-F404 AromaticContact CZ3-CG 3.97Å; W248-F404 HydrophobicContact CZ3-CG 3.97Å
249Q77.5Confident78.6Confident92 Ų9239.3 Ų39.343%0.4321%0.207SC..Hα-helixtrans-60.8-45.3-171.5-69.7-178.9-3.200112.4S246 D247 V251 V252 V253S246-Q249 WeakPolarHBondContact O-CB 3.33Å; S246-Q249 WeakPolarHBondContact O-CG 3.43Å; S246-Q249 PolarHBondContact O-N 2.63Å; S246-Q249 VanDerWaalsContact O-N 3.1Å; D247-Q249 VanDerWaalsContact C-N 3.34Å; Q249-V251 VanDerWaalsContact C-N 3.33Å; Q249-V251 PolarHBondContact O-N 3.47Å; Q249-V252 PolarHBondContact O-N 2.91Å; Q249-V253 WeakPolarHBondContact O-CG2 3.26Å; Q249-V253 PolarHBondContact O-N 3.4Å; Q249-V253 VanDerWaalsContact O-N 3.12Å
250E79.6Confident79.1Confident105 Ų10541 Ų4149%0.49122%0.218SC..Hα-helixtrans-62.8-42.9179.6-179.3172.5-166.400111.1I206 K210 W248 V252 V253 I254I206-E250 WeakPolarHBondContact CG2-OE1 3.26Å; K210-E250 IonicContact NZ-OE1 2.63Å; K210-E250 PolarHBondContact NZ-OE1 3.17Å; W248-E250 PolarHBondContact O-N 2.87Å; E250-V252 PolarHBondContact O-N 3.29Å; E250-V253 PolarHBondContact O-N 3.33Å; E250-I254 HydrophobicContact CG-CD1 3.61Å; E250-I254 VanDerWaalsContact O-CD1 3.29Å; E250-I254 WeakPolarHBondContact O-CD1 3.23Å; E250-I254 VanDerWaalsContact O-CG1 3.3Å; E250-I254 WeakPolarHBondContact O-CG1 3.39Å; E250-I254 PolarHBondContact O-N 3.36Å; E250-I254 VanDerWaalsContact O-N 3.15Å
251V84.1Confident79.6Confident7 Ų738.1 Ų38.14%0.04220%0.204CC..Hα-helixtrans-61.5-46.8178.5179.20000110.9I206 L234 L238 W248 Q249 V253 I254 I255 V401I206-V251 HydrophobicContact CD1-CG2 3.89Å; L234-V251 HydrophobicContact CD1-CG2 4.11Å; L234-V251 HydrophobicContact CD2-CG1 3.89Å; L234-V251 HydrophobicContact CD2-CG2 4.5Å; L238-V251 HydrophobicContact CD1-CG1 4.22Å; L238-V251 HydrophobicContact CD2-CG2 4.17Å; W248-V251 PolarHBondContact O-N 2.91Å; Q249-V251 VanDerWaalsContact C-N 3.33Å; Q249-V251 PolarHBondContact O-N 3.47Å; V251-V253 PolarHBondContact O-N 2.94Å; V251-I254 PolarHBondContact O-N 3.13Å; V251-I255 HydrophobicContact CG1-CG1 3.96Å; V251-I255 WeakPolarHBondContact O-CB 3.33Å; V251-I255 VanDerWaalsContact O-CG1 3.24Å; V251-I255 WeakPolarHBondContact O-CG1 3.34Å; V251-I255 PolarHBondContact O-N 3.43Å; V251-V401 HydrophobicContact CG1-CG2 4.46Å
252V84.8Confident80.3Confident10 Ų1036.2 Ų36.26%0.06119%0.193CC..Hα-helixtrans-55.4-51.2178.3168.90000110.9W248 Q249 E250 I254 I255 H256 V401 F404 C405W248-V252 VanDerWaalsContact O-CG2 3.28Å; W248-V252 WeakPolarHBondContact O-CG2 3.45Å; W248-V252 PolarHBondContact O-N 2.96Å; Q249-V252 PolarHBondContact O-N 2.91Å; E250-V252 PolarHBondContact O-N 3.29Å; V252-I254 VanDerWaalsContact C-N 3.33Å; V252-I254 PolarHBondContact O-N 2.91Å; V252-I255 PolarHBondContact O-N 2.9Å; V252-H256 WeakPolarHBondContact O-CB 3.48Å; V252-H256 PolarHBondContact O-CD2 3.3Å; V252-H256 VanDerWaalsContact O-CD2 3.27Å; V252-H256 PolarHBondContact O-N 3.24Å; V252-V401 HydrophobicContact CB-CG1 4.41Å; V252-V401 HydrophobicContact CG1-CG1 4.31Å; V252-V401 HydrophobicContact CG2-CG1 4.17Å; V252-F404 HydrophobicContact CG2-CD1 3.65Å; V252-F404 HydrophobicContact CG2-CE1 3.93Å; V252-C405 WeakPolarHBondContact CG1-SG 3.47Å
253V84.6Confident80.8Confident53 Ų5335.5 Ų35.532%0.32119%0.19SC..Hα-helixtrans-58.1-46.4-177.9171.10000111.2Q249 E250 V251 Q257Q249-V253 WeakPolarHBondContact O-CG2 3.26Å; Q249-V253 PolarHBondContact O-N 3.4Å; Q249-V253 VanDerWaalsContact O-N 3.12Å; E250-V253 PolarHBondContact O-N 3.33Å; V251-V253 PolarHBondContact O-N 2.94Å; V253-Q257 WeakPolarHBondContact O-CB 3.43Å; V253-Q257 VanDerWaalsContact O-CG 3.27Å; V253-Q257 WeakPolarHBondContact O-CG 3.04Å; V253-Q257 PolarHBondContact O-N 3.5Å
254I85.5Confident81.7Confident3 Ų338.5 Ų38.52%0.01521%0.206CC..Hα-helixtrans-68.1-45.4-178-64.9158.7000110.8I206 M209 K210 E250 V251 V252 H256 Q257 K258I206-I254 HydrophobicContact CB-CD1 4.2Å; I206-I254 HydrophobicContact CD1-CD1 3.53Å; I206-I254 HydrophobicContact CG1-CD1 4.18Å; I206-I254 HydrophobicContact CG2-CD1 3.28Å; M209-I254 HydrophobicContact CB-CG2 4.4Å; K210-I254 HydrophobicContact CG-CG1 4.48Å; K210-I254 HydrophobicContact CG-CG2 4.17Å; E250-I254 HydrophobicContact CG-CD1 3.61Å; E250-I254 VanDerWaalsContact O-CD1 3.29Å; E250-I254 WeakPolarHBondContact O-CD1 3.23Å; E250-I254 VanDerWaalsContact O-CG1 3.3Å; E250-I254 WeakPolarHBondContact O-CG1 3.39Å; E250-I254 PolarHBondContact O-N 3.36Å; E250-I254 VanDerWaalsContact O-N 3.15Å; V251-I254 PolarHBondContact O-N 3.13Å; V252-I254 VanDerWaalsContact C-N 3.33Å; V252-I254 PolarHBondContact O-N 2.91Å; I254-H256 PolarHBondContact O-N 2.94Å; I254-Q257 PolarHBondContact O-N 3.37Å; I254-K258 HydrophobicContact CG2-CG 4.1Å; I254-K258 WeakPolarHBondContact O-CB 3.21Å; I254-K258 VanDerWaalsContact O-CG 3.28Å; I254-K258 WeakPolarHBondContact O-CG 3.31Å; I254-K258 PolarHBondContact O-N 2.92Å
255I87.6Confident82.6Confident0 Ų035.3 Ų35.30%019%0.189CC..Hα-helixtrans-61.1-47.3-179.7-68-62000110.1M209 V251 V252 Q257 K258 I259 F262 L397 V401M209-I255 HydrophobicContact CE-CD1 4.43Å; M209-I255 HydrophobicContact SD-CD1 3.87Å; V251-I255 HydrophobicContact CG1-CG1 3.96Å; V251-I255 WeakPolarHBondContact O-CB 3.33Å; V251-I255 VanDerWaalsContact O-CG1 3.24Å; V251-I255 WeakPolarHBondContact O-CG1 3.34Å; V251-I255 PolarHBondContact O-N 3.43Å; V252-I255 PolarHBondContact O-N 2.9Å; I255-Q257 VanDerWaalsContact C-N 3.31Å; I255-Q257 PolarHBondContact O-N 2.91Å; I255-K258 PolarHBondContact O-N 3.36Å; I255-I259 HydrophobicContact CG2-CG1 4.47Å; I255-I259 VanDerWaalsContact O-CG1 3.29Å; I255-I259 WeakPolarHBondContact O-CG1 3.47Å; I255-I259 PolarHBondContact O-N 3.24Å; I255-F262 HydrophobicContact CD1-CE2 4.2Å; I255-L397 HydrophobicContact CD1-CD2 3.69Å; I255-L397 HydrophobicContact CD1-CG 4.26Å; I255-L397 HydrophobicContact CG1-CD2 4.46Å; I255-V401 HydrophobicContact CB-CG1 4.39Å; I255-V401 HydrophobicContact CB-CG2 4.17Å; I255-V401 HydrophobicContact CG1-CG2 4.14Å; I255-V401 HydrophobicContact CG2-CB 4.31Å; I255-V401 HydrophobicContact CG2-CG1 4.13Å; I255-V401 HydrophobicContact CG2-CG2 4.08Å
256H85Confident83.3Confident20 Ų2033.7 Ų33.79%0.09318%0.18CC..Hα-helixtrans-56.1-45175.1-88-100.8000112.4V252 I254 K258 F402 G423V252-H256 WeakPolarHBondContact O-CB 3.48Å; V252-H256 PolarHBondContact O-CD2 3.3Å; V252-H256 VanDerWaalsContact O-CD2 3.27Å; V252-H256 PolarHBondContact O-N 3.24Å; I254-H256 PolarHBondContact O-N 2.94Å; H256-K258 PolarHBondContact O-N 3.39Å; H256-F402 AromaticContact CE1-CE1 3.56Å; H256-F402 AromaticContact NE2-CE1 3.77Å; H256-G423 VanDerWaalsContact O-CA 3.24Å; H256-G423 WeakPolarHBondContact O-CA 3.27Å
257Q87.8Confident83.9Confident80 Ų8030.9 Ų30.937%0.37416%0.159SC..Hα-helixtrans-64.1-37.6178.5-77.2173.64.500113.4V253 I254 I255 N420V253-Q257 WeakPolarHBondContact O-CB 3.43Å; V253-Q257 VanDerWaalsContact O-CG 3.27Å; V253-Q257 WeakPolarHBondContact O-CG 3.04Å; V253-Q257 PolarHBondContact O-N 3.5Å; I254-Q257 PolarHBondContact O-N 3.37Å; I255-Q257 VanDerWaalsContact C-N 3.31Å; I255-Q257 PolarHBondContact O-N 2.91Å; Q257-N420 HydrophobicContact CG-CB 4.31Å; Q257-N420 WeakPolarHBondContact CG-ND2 3.46Å; Q257-N420 PolarHBondContact NE2-ND2 3.19Å
258K89.6Confident83.9Confident26 Ų2631.3 Ų31.311%0.11316%0.162CC..Hα-helixtrans-96.5-5.7-170.3-59.7-53-179.9153.10114.6K210 D213 I254 I255 H256 S261 F262K210-K258 PolarHBondContact O-NZ 3.34Å; D213-K258 IonicContact OD2-NZ 2.64Å; D213-K258 PolarHBondContact OD2-NZ 3.07Å; I254-K258 HydrophobicContact CG2-CG 4.1Å; I254-K258 WeakPolarHBondContact O-CB 3.21Å; I254-K258 VanDerWaalsContact O-CG 3.28Å; I254-K258 WeakPolarHBondContact O-CG 3.31Å; I254-K258 PolarHBondContact O-N 2.92Å; I255-K258 PolarHBondContact O-N 3.36Å; H256-K258 PolarHBondContact O-N 3.39Å; K258-S261 WeakPolarHBondContact O-CB 3.21Å; K258-S261 PolarHBondContact O-N 2.89Å; K258-S261 VanDerWaalsContact O-N 3.13Å; K258-F262 HydrophobicContact CB-CD2 3.88Å; K258-F262 HydrophobicContact CB-CE2 3.48Å; K258-F262 VanDerWaalsContact CB-CE2 3.48Å; K258-F262 HydrophobicContact CB-CZ 3.96Å; K258-F262 WeakPolarHBondContact O-CD2 3.29Å; K258-F262 WeakPolarHBondContact O-CG 3.44Å; K258-F262 PolarHBondContact O-N 3.36Å
259I89.2Confident83Confident0 Ų035.7 Ų35.70%018%0.183CC..Hα-helixtrans-47.1-51.7174.7-84.4163.6000112.9I255 S261 F262 I263 W398 F402 G423 L427I255-I259 HydrophobicContact CG2-CG1 4.47Å; I255-I259 VanDerWaalsContact O-CG1 3.29Å; I255-I259 WeakPolarHBondContact O-CG1 3.47Å; I255-I259 PolarHBondContact O-N 3.24Å; I259-S261 VanDerWaalsContact C-N 3.28Å; I259-S261 PolarHBondContact O-N 3.33Å; I259-F262 PolarHBondContact O-N 3.32Å; I259-I263 HydrophobicContact CG2-CD1 3.71Å; I259-I263 HydrophobicContact CG2-CG1 4.43Å; I259-I263 WeakPolarHBondContact O-CG1 3.45Å; I259-I263 PolarHBondContact O-N 3.15Å; I259-W398 HydrophobicContact CG1-CZ2 4.33Å; I259-F402 HydrophobicContact CD1-CE2 4.15Å; I259-F402 HydrophobicContact CD1-CZ 3.62Å; I259-G423 WeakPolarHBondContact CG2-O 3.5Å; I259-L427 HydrophobicContact CD1-CD2 4.35Å; I259-L427 HydrophobicContact CG2-CB 3.8Å
260P87.8Confident81.8Confident38 Ų3833.3 Ų33.325%0.24717%0.173CC..Hα-helixtrans-59.6-40.4-178.2-24.635000112.4I263 N264 V426P260-I263 PolarHBondContact O-N 2.99Å; P260-N264 PolarHBondContact O-N 3.49Å; P260-N264 VanDerWaalsContact O-N 3.07Å; P260-V426 HydrophobicContact CB-CG1 4.21Å; P260-V426 HydrophobicContact CG-CB 4.32Å; P260-V426 HydrophobicContact CG-CG1 4.13Å; P260-V426 HydrophobicContact CG-CG2 4.34Å
261S88.4Confident80.1Confident26 Ų2635.5 Ų35.518%0.18218%0.183CC..Hα-helixtrans-67.5-42.8178.8-49.70000112.1C212 D213 K258 I259 N264 L265C212-S261 VanDerWaalsContact SG-CB 3.53Å; D213-S261 WeakPolarHBondContact OD1-CB 3.37Å; D213-S261 PolarHBondContact OD1-OG 2.91Å; K258-S261 WeakPolarHBondContact O-CB 3.21Å; K258-S261 PolarHBondContact O-N 2.89Å; K258-S261 VanDerWaalsContact O-N 3.13Å; I259-S261 VanDerWaalsContact C-N 3.28Å; I259-S261 PolarHBondContact O-N 3.33Å; S261-N264 PolarHBondContact O-N 3.36Å; S261-L265 VanDerWaalsContact O-CB 3.23Å; S261-L265 WeakPolarHBondContact O-CB 3.36Å; S261-L265 PolarHBondContact O-N 2.99Å
262F90.2Very high77.9Confident0 Ų040.2 Ų40.20%022%0.223CC..Hα-helixtrans-64.8-38.5174.9-70.2-44000112.5M209 C212 F223 L227 I255 K258 I259 L265 V266 L394 W398M209-F262 HydrophobicContact CB-CZ 4.21Å; M209-F262 HydrophobicContact CG-CZ 4.32Å; C212-F262 HydrophobicContact CB-CD1 4.49Å; C212-F262 HydrophobicContact CB-CE1 4.13Å; F223-F262 HydrophobicContact CE1-CE1 4.19Å; F223-F262 HydrophobicContact CZ-CE1 4.35Å; L227-F262 HydrophobicContact CD1-CD1 4.48Å; L227-F262 HydrophobicContact CD1-CE1 3.78Å; L227-F262 HydrophobicContact CD1-CZ 4.26Å; L227-F262 HydrophobicContact CD2-CD1 3.92Å; L227-F262 HydrophobicContact CD2-CE1 4.02Å; I255-F262 HydrophobicContact CD1-CE2 4.2Å; K258-F262 HydrophobicContact CB-CD2 3.88Å; K258-F262 HydrophobicContact CB-CE2 3.48Å; K258-F262 VanDerWaalsContact CB-CE2 3.48Å; K258-F262 HydrophobicContact CB-CZ 3.96Å; K258-F262 WeakPolarHBondContact O-CD2 3.29Å; K258-F262 WeakPolarHBondContact O-CG 3.44Å; K258-F262 PolarHBondContact O-N 3.36Å; I259-F262 PolarHBondContact O-N 3.32Å; F262-L265 PolarHBondContact O-N 3.14Å; F262-V266 WeakPolarHBondContact O-CB 3.1Å; F262-V266 PolarHBondContact O-N 3.21Å; F262-L394 HydrophobicContact CB-CD2 4.14Å; F262-L394 HydrophobicContact CD2-CD1 4.23Å; F262-L394 HydrophobicContact CG-CD1 4.35Å; F262-W398 HydrophobicContact CB-CH2 4.46Å; F262-W398 HydrophobicContact CB-CZ2 3.73Å; F262-W398 HydrophobicContact CD2-CZ2 4.33Å; F262-W398 HydrophobicContact CG-CZ2 4.45Å
263I86.3Confident75.5Confident7 Ų745.3 Ų45.34%0.03625%0.254CS..Iπ-helixtrans-58.3-51.4173.8-71.1166.8000109.8I259 P260 L265 F267 N268 W398 V426 L427 Y430I259-I263 HydrophobicContact CG2-CD1 3.71Å; I259-I263 HydrophobicContact CG2-CG1 4.43Å; I259-I263 WeakPolarHBondContact O-CG1 3.45Å; I259-I263 PolarHBondContact O-N 3.15Å; P260-I263 PolarHBondContact O-N 2.99Å; I263-L265 PolarHBondContact O-N 3.45Å; I263-F267 WeakPolarHBondContact O-CB 3.23Å; I263-F267 PolarHBondContact O-N 3.45Å; I263-N268 PolarHBondContact O-N 3.25Å; I263-W398 HydrophobicContact CG1-CH2 3.96Å; I263-V426 HydrophobicContact CD1-CG1 4Å; I263-L427 HydrophobicContact CD1-CB 4.47Å; I263-L427 HydrophobicContact CD1-CD1 3.98Å; I263-L427 HydrophobicContact CG1-CD1 4.47Å; I263-Y430 HydrophobicContact CD1-CD1 4.47Å; I263-Y430 HydrophobicContact CD1-CG 4.14Å; I263-Y430 HydrophobicContact CG1-CG 4.44Å; I263-Y430 HydrophobicContact CG2-CD2 3.52Å; I263-Y430 HydrophobicContact CG2-CE2 3.73Å; I263-Y430 HydrophobicContact CG2-CG 4.02Å
264N84.5Confident73.1Confident85 Ų8544.5 Ų44.546%0.45525%0.25SS..Iπ-helixtrans-60.5-46.6179.3-75.5-22.7000112.3P260 S261 N268 E269P260-N264 PolarHBondContact O-N 3.49Å; P260-N264 VanDerWaalsContact O-N 3.07Å; S261-N264 PolarHBondContact O-N 3.36Å; N264-N268 PolarHBondContact O-N 2.94Å; N264-N268 PolarHBondContact OD1-ND2 3.41Å; N264-E269 WeakPolarHBondContact O-CG 3.42Å; N264-E269 PolarHBondContact O-N 3.39Å
265L83.8Confident70.8Confident11 Ų1149 Ų496%0.05828%0.279CS..Iπ-helixtrans-71.9-43.8-173.6-174.268.7000113.5L215 K220 F223 V224 S261 F262 I263 N270L215-L265 HydrophobicContact CD1-CD1 4.27Å; L215-L265 HydrophobicContact CD1-CD2 3.81Å; K220-L265 HydrophobicContact CB-CD1 3.9Å; K220-L265 HydrophobicContact CD-CD1 4.03Å; K220-L265 HydrophobicContact CG-CD1 3.85Å; F223-L265 HydrophobicContact CD1-CD2 3.39Å; F223-L265 HydrophobicContact CE1-CD2 3.63Å; F223-L265 HydrophobicContact CG-CD2 4.39Å; V224-L265 HydrophobicContact CG2-CD1 4.31Å; V224-L265 HydrophobicContact CG2-CD2 3.99Å; V224-L265 HydrophobicContact CG2-CG 3.75Å; S261-L265 VanDerWaalsContact O-CB 3.23Å; S261-L265 WeakPolarHBondContact O-CB 3.36Å; S261-L265 PolarHBondContact O-N 2.99Å; F262-L265 PolarHBondContact O-N 3.14Å; I263-L265 PolarHBondContact O-N 3.45Å; L265-N270 PolarHBondContact O-ND2 3.16Å
266V82.5Confident68.5Low6 Ų650 Ų504%0.03628%0.284CS..Iπ-helixtrans-90.6-35-172.4178.50000111.4V224 L227 F262 C274 L394V224-V266 HydrophobicContact CG2-CG2 4.48Å; L227-V266 HydrophobicContact CD2-CG2 3.84Å; F262-V266 WeakPolarHBondContact O-CB 3.1Å; F262-V266 PolarHBondContact O-N 3.21Å; V266-C274 PolarHBondContact O-SG 2.81Å; V266-L394 HydrophobicContact CG2-CD2 4.24Å
267F79.8Confident66.2Low10 Ų1051.9 Ų51.94%0.04430%0.299CS..Iπ-helixtrans-110.3-42.8-168.4-55.5-93.2000113.7I263 Q391 L394 F395 W398 Y430I263-F267 WeakPolarHBondContact O-CB 3.23Å; I263-F267 PolarHBondContact O-N 3.45Å; F267-Q391 HydrophobicContact CE1-CB 4.42Å; F267-Q391 HydrophobicContact CE1-CG 3.67Å; F267-Q391 HydrophobicContact CZ-CG 4.05Å; F267-L394 HydrophobicContact CE2-CD2 3.81Å; F267-L394 HydrophobicContact CZ-CD2 4.2Å; F267-F395 AromaticContact CE1-CE1 3.64Å; F267-F395 HydrophobicContact CE1-CE1 3.64Å; F267-F395 HydrophobicContact CE1-CZ 4.02Å; F267-F395 HydrophobicContact CE2-CE1 4.48Å; F267-F395 HydrophobicContact CZ-CD1 4.09Å; F267-F395 AromaticContact CZ-CE1 3.4Å; F267-F395 HydrophobicContact CZ-CE1 3.4Å; F267-F395 VanDerWaalsContact CZ-CE1 3.4Å; F267-F395 HydrophobicContact CZ-CZ 4.25Å; F267-W398 AromaticContact CE2-CH2 3.78Å; F267-W398 HydrophobicContact CE2-CH2 3.78Å; F267-W398 HydrophobicContact CE2-CZ3 4.18Å; F267-W398 HydrophobicContact CZ-CH2 4.36Å; F267-W398 HydrophobicContact CZ-CZ3 4.33Å; F267-Y430 HydrophobicContact CB-CE2 4.31Å; F267-Y430 WeakPolarHBondContact CB-OH 3.38Å; F267-Y430 VanDerWaalsContact CD1-OH 3.29Å; F267-Y430 WeakPolarHBondContact CD1-OH 3.3Å; F267-Y430 WeakPolarHBondContact CG-OH 3.29Å
268N67.3Low63.5Low68 Ų6851.3 Ų51.336%0.36430%0.297SS..Iπ-helixtrans-82-38.5-176.4-65.6-23.1000113.2I263 N264 Q271I263-N268 PolarHBondContact O-N 3.25Å; N264-N268 PolarHBondContact O-N 2.94Å; N264-N268 PolarHBondContact OD1-ND2 3.41Å; N268-Q271 WeakPolarHBondContact O-CG 3.28Å
269E57.2Low60.7Low103 Ų10353.5 Ų53.548%0.48131%0.311SS..THydrogen-bonded Turntrans-84.4-26.1-177.3-70.8-175.6168.300113.5K220 N264 Q271K220-E269 WeakPolarHBondContact CD-OE2 3.32Å; K220-E269 WeakPolarHBondContact CE-OE2 3.48Å; K220-E269 IonicContact NZ-OE1 2.66Å; K220-E269 PolarHBondContact NZ-OE1 3.1Å; K220-E269 IonicContact NZ-OE2 3.12Å; K220-E269 PolarHBondContact NZ-OE2 2.99Å; N264-E269 WeakPolarHBondContact O-CG 3.42Å; N264-E269 PolarHBondContact O-N 3.39Å; E269-Q271 PolarHBondContact O-N 2.73Å
270N51.7Low57.7Low42 Ų4257.8 Ų57.823%0.22534%0.34CS..THydrogen-bonded Turntrans-97.428.1-177.5-71.2-31.4000113.9L265 A272 T273 C274L265-N270 PolarHBondContact O-ND2 3.16Å; N270-A272 PolarHBondContact O-N 3.5Å; N270-T273 PolarHBondContact O-N 3.23Å; N270-T273 PolarHBondContact O-OG1 3.28Å; N270-C274 WeakPolarHBondContact O-CB 3.15Å; N270-C274 PolarHBondContact O-N 3.03Å
271Q44Very low54.7Low151 Ų15158.8 Ų58.871%0.70636%0.358SS*.THydrogen-bonded Turntrans-50.2-26.9-174.8-80.4179.28.900115.2N268 E269 T273N268-Q271 WeakPolarHBondContact O-CG 3.28Å; E269-Q271 PolarHBondContact O-N 2.73Å; Q271-T273 PolarHBondContact O-N 3.17Å
272A38.9Very low51.7Low106 Ų10663.1 Ų63.188%0.87638%0.383SS*.THydrogen-bonded Turntrans-64.8-21.4179.200000114.2N270N270-A272 PolarHBondContact O-N 3.5Å
273T34.8Very low48.5Very low117 Ų11767.7 Ų67.772%0.71842%0.415SS*.THydrogen-bonded Turntrans-127.2-9.6-179.846.30000113.8N270 Q271 T275N270-T273 PolarHBondContact O-N 3.23Å; N270-T273 PolarHBondContact O-OG1 3.28Å; Q271-T273 PolarHBondContact O-N 3.17Å; T273-T275 VanDerWaalsContact C-N 3.32Å; T273-T275 PolarHBondContact O-N 2.82Å
274C33.2Very low45.6Very low35 Ų3572 Ų7224%0.23644%0.438CS..  trans-9040.5-170.5-134.50000114.2V266 N270 L276V266-C274 PolarHBondContact O-SG 2.81Å; N270-C274 WeakPolarHBondContact O-CB 3.15Å; N270-C274 PolarHBondContact O-N 3.03Å; C274-L276 PolarHBondContact O-N 3.1Å
275T37.5Very low42.8Very low99 Ų9977 Ų7761%0.60746%0.456SS*.SBendtrans-68.4120.8154.844.30000106.4T273 S277T273-T275 VanDerWaalsContact C-N 3.32Å; T273-T275 PolarHBondContact O-N 2.82Å; T275-S277 VanDerWaalsContact C-N 3.29Å; T275-S277 WeakPolarHBondContact O-CA 3.41Å; T275-S277 PolarHBondContact O-N 2.94Å
276L39.6Very low39.9Very low21 Ų2180.1 Ų80.111%0.1148%0.476CS..  trans-30.998.8163.4-92.4149.1000108.2C274 I278 F395 I438 L457 F460C274-L276 PolarHBondContact O-N 3.1Å; L276-I278 PolarHBondContact O-N 3.12Å; L276-F395 HydrophobicContact CD2-CE2 3.82Å; L276-F395 HydrophobicContact CD2-CZ 4.24Å; L276-I438 HydrophobicContact CD1-CD1 3.88Å; L276-I438 HydrophobicContact CD1-CG1 4.19Å; L276-L457 HydrophobicContact CB-CD2 3.88Å; L276-L457 HydrophobicContact CD1-CD2 4.16Å; L276-L457 HydrophobicContact CD2-CD2 3.99Å; L276-L457 HydrophobicContact CG-CD2 4.24Å; L276-F460 HydrophobicContact CD2-CB 4.33Å
277S35.8Very low37.5Very low58 Ų5886.3 Ų86.341%0.40650%0.502SS..  trans-66.9107.1-169.754.90000104.7T275 N279T275-S277 VanDerWaalsContact C-N 3.29Å; T275-S277 WeakPolarHBondContact O-CA 3.41Å; T275-S277 PolarHBondContact O-N 2.94Å; S277-N279 PolarHBondContact O-N 3.4Å; S277-N279 VanDerWaalsContact O-N 3.17Å
278I31.7Very low34.8Very low68 Ų6893.2 Ų93.235%0.34954%0.535SS..  trans-48128.8173-61.5170.9000104.6L276 S280 T453L276-I278 PolarHBondContact O-N 3.12Å; I278-S280 PolarHBondContact O-N 3.18Å; I278-T453 HydrophobicContact CD1-CG2 3.99Å; I278-T453 HydrophobicContact CG1-CG2 4.29Å
279N31Very low32.7Very low73 Ų7396.2 Ų96.239%0.3955%0.548SS..  trans-58.677.4164.6-79.8-21.6000108S277 G281 Q392S277-N279 PolarHBondContact O-N 3.4Å; S277-N279 VanDerWaalsContact O-N 3.17Å; N279-G281 PolarHBondContact O-N 2.86Å; N279-Q392 PolarHBondContact OD1-NE2 3.38Å
280S25.9Very low31.1Very low89 Ų8995.7 Ų95.762%0.62255%0.548SS*.  trans-73.778.2156.659.80000104I278 T282I278-S280 PolarHBondContact O-N 3.18Å; S280-T282 PolarHBondContact O-N 3.39Å
281G25.5Very low29.9Very low60 Ų6097.2 Ų97.262%0.61956%0.561SS**  trans-46.4111.7168.700000107.1N279 S283N279-G281 PolarHBondContact O-N 2.86Å; G281-S283 PolarHBondContact O-N 2.86Å; G281-S283 VanDerWaalsContact O-N 3.16Å
282T24.2Very low29Very low116 Ų11694.3 Ų94.371%0.71256%0.557SS**  trans-50.7120.9158.231.80000105.4S280 D284S280-T282 PolarHBondContact O-N 3.39Å; T282-D284 PolarHBondContact O-N 3.41Å
283S23.7Very low28.3Very low96 Ų9694.9 Ų94.967%0.67154%0.541SS*.  trans-62.395.8-179.756.90000109.5G281 K285G281-S283 PolarHBondContact O-N 2.86Å; G281-S283 VanDerWaalsContact O-N 3.16Å; S283-K285 VanDerWaalsContact C-N 3.27Å; S283-K285 PolarHBondContact O-N 3.39Å; S283-K285 VanDerWaalsContact O-N 3.12Å
284D24.6Very low27.8Very low97 Ų97100.5 Ų100.552%0.51955%0.55SS..  trans-81.189158.8-77.3-18.3000106.9T282 T286T282-D284 PolarHBondContact O-N 3.41Å; D284-T286 PolarHBondContact O-N 2.79Å; D284-T286 VanDerWaalsContact O-N 3.12Å
285K26.1Very low27.7Very low192 Ų192103.5 Ų103.584%0.83556%0.557SS**  trans-72.925165.8-79.7-170.4171.8-173.70111.8S283S283-K285 VanDerWaalsContact C-N 3.27Å; S283-K285 PolarHBondContact O-N 3.39Å; S283-K285 VanDerWaalsContact O-N 3.12Å
286T22.3Very low27.1Very low76 Ų76104.3 Ų104.347%0.46656%0.557SS.*  trans-152137.2-179.853.60000107.2D284D284-T286 PolarHBondContact O-N 2.79Å; D284-T286 VanDerWaalsContact O-N 3.12Å
287K32.2Very low26.5Very low135 Ų135107.6 Ų107.659%0.58759%0.588SS**  cis-174.7150.33.2-104.5168.5-177.7-172.50105.1
288E24.3Very low26.2Very low156 Ų156108.2 Ų108.273%0.72959%0.586SS**  trans28.8106.7149.4-66.5169.7149.400118.5
289M22.9Very low26.2Very low130 Ų130110.9 Ų110.964%0.6460%0.597SS**  trans-82.9132.8144.9-88-170.876.200108.3
290D24.3Very low26.2Very low92 Ų92112.9 Ų112.949%0.49260%0.602SS.*  trans-58.1121.9172.6-171-27.2000110.5S292D290-S292 VanDerWaalsContact CG-OG 3.22Å; D290-S292 PolarHBondContact O-N 3.41Å; D290-S292 VanDerWaalsContact O-N 3.12Å; D290-S292 WeakPolarHBondContact OD1-CB 3.41Å; D290-S292 PolarHBondContact OD1-N 3.34Å; D290-S292 VanDerWaalsContact OD1-N 3.11Å; D290-S292 PolarHBondContact OD1-OG 3.15Å; D290-S292 PolarHBondContact OD2-OG 2.84Å
291P26.2Very low26.7Very low75 Ų75111.2 Ų111.249%0.48759%0.585SS.*THydrogen-bonded Turntrans-72.23.4-17727.9-33.3000114.5Q293 Y295P291-Q293 VanDerWaalsContact C-N 3.31Å; P291-Q293 PolarHBondContact O-N 2.85Å; P291-Y295 HydrophobicContact CB-CE2 4.39Å
292S23.5Very low27.4Very low90 Ų90110 Ų11063%0.62957%0.567SS**THydrogen-bonded Turntrans-76.2-10177.958.90000114.9D290 R294D290-S292 VanDerWaalsContact CG-OG 3.22Å; D290-S292 PolarHBondContact O-N 3.41Å; D290-S292 VanDerWaalsContact O-N 3.12Å; D290-S292 WeakPolarHBondContact OD1-CB 3.41Å; D290-S292 PolarHBondContact OD1-N 3.34Å; D290-S292 VanDerWaalsContact OD1-N 3.11Å; D290-S292 PolarHBondContact OD1-OG 3.15Å; D290-S292 PolarHBondContact OD2-OG 2.84Å; S292-R294 PolarHBondContact O-N 3.23Å; S292-R294 VanDerWaalsContact O-N 3.13Å
293Q25.6Very low28.4Very low117 Ų117106.3 Ų106.355%0.54754%0.541SS..SBendtrans-69112.5168.4-70.9-170.4-2.700108.9P291 Y295P291-Q293 VanDerWaalsContact C-N 3.31Å; P291-Q293 PolarHBondContact O-N 2.85Å; Q293-Y295 PolarHBondContact O-N 3.42Å
294R24.1Very low29.4Very low235 Ų235101.8 Ų101.889%0.88751%0.51SS*.  trans-40.5109.1173.8-74.1-178-175.4168.91.6108.8S292 N296S292-R294 PolarHBondContact O-N 3.23Å; S292-R294 VanDerWaalsContact O-N 3.13Å; R294-N296 VanDerWaalsContact C-N 3.31Å; R294-N296 PolarHBondContact O-N 3.35Å
295Y30.1Very low30.1Very low98 Ų9898.1 Ų98.138%0.38449%0.489SS..  trans-56.696.4176.5-78.3-94.5000108.1P291 Q293 A297P291-Y295 HydrophobicContact CB-CE2 4.39Å; Q293-Y295 PolarHBondContact O-N 3.42Å; Y295-A297 PolarHBondContact O-N 3.46Å
296N26Very low31Very low117 Ų11792 Ų9263%0.62647%0.467SS*.  trans-59.4132.5165.9-78.7-23.5000105.9R294 L298 Q299R294-N296 VanDerWaalsContact C-N 3.31Å; R294-N296 PolarHBondContact O-N 3.35Å; N296-L298 HydrophobicContact CB-CB 4.26Å; N296-L298 HydrophobicContact CB-CD1 4.5Å; N296-L298 PolarHBondContact O-N 3.28Å; N296-Q299 PolarHBondContact O-N 2.9Å
297A25.8Very low31.9Very low90 Ų9093.6 Ų93.674%0.74447%0.468SS*.G310 helixtrans-50.2-15175.800000113.5Y295 Q299 F300Y295-A297 PolarHBondContact O-N 3.46Å; A297-Q299 VanDerWaalsContact C-N 3.28Å; A297-Q299 PolarHBondContact O-N 2.95Å; A297-F300 PolarHBondContact O-N 3.32Å
298L30.7Very low32.3Very low70 Ų7090.5 Ų90.537%0.36646%0.455SS..G310 helixtrans-63.2-15.3170.3-72.7158.3000115.3N296 F300 H301 L365 W556N296-L298 HydrophobicContact CB-CB 4.26Å; N296-L298 HydrophobicContact CB-CD1 4.5Å; N296-L298 PolarHBondContact O-N 3.28Å; L298-F300 VanDerWaalsContact C-N 3.26Å; L298-F300 PolarHBondContact O-N 3.39Å; L298-H301 VanDerWaalsContact O-CB 3.31Å; L298-H301 WeakPolarHBondContact O-CB 3.48Å; L298-H301 PolarHBondContact O-CD2 2.73Å; L298-H301 PolarHBondContact O-N 2.94Å; L298-H301 VanDerWaalsContact O-N 3.13Å; L298-L365 HydrophobicContact CD1-CD2 4.47Å; L298-L365 HydrophobicContact CD2-CD2 4.27Å; L298-W556 HydrophobicContact CD2-CH2 3.87Å; L298-W556 HydrophobicContact CD2-CZ2 4.28Å
299Q31.4Very low32.8Very low124 Ų12487.1 Ų87.158%0.57945%0.449SS*.G310 helixtrans-79.9-0.5175.5-112.3-174.36.500114.8N296 A297 H301N296-Q299 PolarHBondContact O-N 2.9Å; A297-Q299 VanDerWaalsContact C-N 3.28Å; A297-Q299 PolarHBondContact O-N 2.95Å; Q299-H301 PolarHBondContact O-N 2.75Å
300F31.8Very low33.3Very low116 Ų11686.2 Ų86.251%0.50945%0.451SS..G310 helixtrans-63.8-10.7159.2-83.9-84.7000112.5A297 L298 S302A297-F300 PolarHBondContact O-N 3.32Å; L298-F300 VanDerWaalsContact C-N 3.26Å; L298-F300 PolarHBondContact O-N 3.39Å; F300-S302 PolarHBondContact O-N 3.16Å
301H36.3Very low33.9Very low54 Ų5486.5 Ų86.525%0.2545%0.445CS..  trans-78.560.4164.7-56.2-58.5000111.3L298 Q299 E303 W556 V607L298-H301 VanDerWaalsContact O-CB 3.31Å; L298-H301 WeakPolarHBondContact O-CB 3.48Å; L298-H301 PolarHBondContact O-CD2 2.73Å; L298-H301 PolarHBondContact O-N 2.94Å; L298-H301 VanDerWaalsContact O-N 3.13Å; Q299-H301 PolarHBondContact O-N 2.75Å; H301-E303 PolarHBondContact O-N 3.03Å; H301-W556 AromaticContact CD2-CH2 3.99Å; H301-W556 AromaticContact CE1-CH2 3.78Å; H301-W556 AromaticContact NE2-CH2 3.23Å; H301-W556 WeakPolarHBondContact NE2-CH2 3.47Å; H301-W556 AromaticContact NE2-CZ2 3.62Å; H301-V607 WeakPolarHBondContact ND1-CG1 3.27Å
302S40.3Very low34Very low34 Ų3488.3 Ų88.324%0.23845%0.451CS..  trans-61.9111.8153.554.20000106.3F300 A304F300-S302 PolarHBondContact O-N 3.16Å; S302-A304 PolarHBondContact O-N 3.4Å; S302-A304 VanDerWaalsContact O-N 3.15Å
303E44.7Very low34.2Very low39 Ų3988.6 Ų88.618%0.18245%0.453CS..  trans-56.8125.1171.2-65.7-177.9155.300107.7H301 W305 T306 K458H301-E303 PolarHBondContact O-N 3.03Å; E303-W305 HydrophobicContact CB-CB 4.3Å; E303-W305 PolarHBondContact O-N 3.33Å; E303-T306 HydrophobicContact CB-CG2 3.95Å; E303-T306 PolarHBondContact O-N 3.3Å; E303-T306 PolarHBondContact O-OG1 2.96Å; E303-T306 WeakPolarHBondContact OE2-CG2 3.26Å; E303-K458 IonicContact OE1-NZ 3.5Å; E303-K458 PolarHBondContact OE1-NZ 2.98Å; E303-K458 IonicContact OE2-NZ 3.68Å; E303-K458 PolarHBondContact OE2-NZ 3.43Å
304A44.8Very low34.3Very low1 Ų189.5 Ų89.51%0.00846%0.461CS..THydrogen-bonded Turntrans-50.8-26.6173.300000111.9S302 T600 R670 L671S302-A304 PolarHBondContact O-N 3.4Å; S302-A304 VanDerWaalsContact O-N 3.15Å; A304-T600 HydrophobicContact CB-CG2 3.85Å; A304-R670 PolarHBondContact O-NH2 3.19Å; A304-L671 HydrophobicContact CB-CD2 3.68Å; A304-L671 WeakPolarHBondContact O-CD2 3.34Å
305W39.5Very low34.7Very low20 Ų2079.6 Ų79.68%0.07643%0.428CS..THydrogen-bonded Turntrans-71.6-28.1179.8-59.880.5000115.9E303 K458 F461 L546 D549 W550 T600E303-W305 HydrophobicContact CB-CB 4.3Å; E303-W305 PolarHBondContact O-N 3.33Å; W305-K458 HydrophobicContact CB-CD 4.31Å; W305-K458 HydrophobicContact CD2-CB 4.36Å; W305-K458 HydrophobicContact CD2-CD 4.38Å; W305-K458 HydrophobicContact CD2-CG 4.02Å; W305-K458 HydrophobicContact CE3-CB 3.7Å; W305-K458 HydrophobicContact CE3-CD 4.44Å; W305-K458 HydrophobicContact CE3-CG 3.88Å; W305-K458 HydrophobicContact CG-CD 4.34Å; W305-K458 HydrophobicContact CG-CG 4.47Å; W305-K458 HydrophobicContact CZ3-CB 3.78Å; W305-K458 HydrophobicContact CZ3-CG 4.2Å; W305-F461 AromaticContact CH2-CD2 3.68Å; W305-F461 HydrophobicContact CH2-CD2 3.68Å; W305-F461 HydrophobicContact CH2-CE2 4.31Å; W305-F461 HydrophobicContact CH2-CG 4.41Å; W305-F461 HydrophobicContact CZ3-CD2 4.19Å; W305-L546 HydrophobicContact CH2-CB 4.05Å; W305-L546 HydrophobicContact CH2-CD1 3.84Å; W305-L546 HydrophobicContact CH2-CD2 3.9Å; W305-L546 HydrophobicContact CH2-CG 4.14Å; W305-L546 HydrophobicContact CZ2-CB 4.08Å; W305-L546 HydrophobicContact CZ2-CD1 4.48Å; W305-L546 HydrophobicContact CZ2-CD2 3.73Å; W305-L546 HydrophobicContact CZ2-CG 4.31Å; W305-D549 PolarHBondContact NE1-OD2 3.18Å; W305-W550 AromaticContact CZ2-NE1 3.61Å; W305-T600 HydrophobicContact CZ2-CG2 4.42Å
306T45.1Very low34.8Very low63 Ų6376.5 Ų76.539%0.38742%0.417SS..SBendtrans-75.7143.9-170.750.90000111.8E303 R670E303-T306 HydrophobicContact CB-CG2 3.95Å; E303-T306 PolarHBondContact O-N 3.3Å; E303-T306 PolarHBondContact O-OG1 2.96Å; E303-T306 WeakPolarHBondContact OE2-CG2 3.26Å; T306-R670 PolarHBondContact O-NH1 2.91Å; T306-R670 PolarHBondContact O-NH2 3.2Å
307K41.2Very low35Very low110 Ų11073.8 Ų73.848%0.47841%0.411SS..  trans-80.2130.9168.1-67.6178.2179.1-163.30108.7S309 Y663K307-S309 PolarHBondContact O-N 3.41Å; K307-Y663 WeakPolarHBondContact CD-OH 3.48Å; K307-Y663 WeakPolarHBondContact CE-OH 3.45Å; K307-Y663 PolarHBondContact NZ-OH 3.11Å; K307-Y663 VanDerWaalsContact NZ-OH 3.13Å
308E39.7Very low35.1Very low69 Ų6971 Ų7132%0.32239%0.387SS..  trans-67.9101.6171.8-86.1172.7-155.300110W723E308-W723 WeakPolarHBondContact OE2-CZ3 3.43Å
309S34.1Very low35.2Very low86 Ų8668.8 Ų68.860%0.60138%0.377SS*.  trans-115.73.4152.358.40000112.2K307K307-S309 PolarHBondContact O-N 3.41Å
310T33.6Very low35.3Very low110 Ų11066.5 Ų66.568%0.67537%0.365SS*.SBendtrans-106.50.6-170.349.50000115.3
311W37.2Very low35.3Very low98 Ų9864.5 Ų64.537%0.37136%0.362SS..  trans-114.671.6-177.5-71.566.9000110.7L316W311-L316 HydrophobicContact CE3-CD1 4.39Å; W311-L316 HydrophobicContact CE3-CD2 4.13Å; W311-L316 HydrophobicContact CE3-CG 3.86Å; W311-L316 HydrophobicContact CZ3-CD2 3.82Å; W311-L316 HydrophobicContact CZ3-CG 4.01Å
312D28.9Very low35.1Very low114 Ų11465.5 Ų65.561%0.6137%0.372SS*.  trans-64.8148.1159.5-82.4-30000108.8L314 S315D312-L314 PolarHBondContact O-N 3.2Å; D312-S315 WeakPolarHBondContact O-CB 3.33Å; D312-S315 PolarHBondContact O-N 2.79Å; D312-S315 PolarHBondContact O-OG 3.39Å
313S27.9Very low34.8Very low96 Ų9668 Ų6867%0.67138%0.382SS*.Hα-helixtrans-47.7-27.7-179.249.20000114.3S315 L316 A317S313-S315 PolarHBondContact O-N 2.68Å; S313-L316 PolarHBondContact O-N 3.18Å; S313-A317 PolarHBondContact O-N 3.26Å
314L27.6Very low34.1Very low136 Ų13671.2 Ų71.271%0.71240%0.4SS*.Hα-helixtrans-62.9-34.2174.4-82.5145.2000113.7D312 A317 S318D312-L314 PolarHBondContact O-N 3.2Å; L314-A317 PolarHBondContact O-N 2.93Å; L314-S318 PolarHBondContact O-N 3.24Å; L314-S318 VanDerWaalsContact O-N 3.14Å; L314-S318 PolarHBondContact O-OG 3.46Å
315S32.8Very low33.4Very low27 Ų2775.2 Ų75.219%0.18942%0.421CS..Hα-helixtrans-71.6-30.7179.768.40000113.2D312 S313 S318 S319D312-S315 WeakPolarHBondContact O-CB 3.33Å; D312-S315 PolarHBondContact O-N 2.79Å; D312-S315 PolarHBondContact O-OG 3.39Å; S313-S315 PolarHBondContact O-N 2.68Å; S315-S318 WeakPolarHBondContact CA-OG 3.46Å; S315-S318 PolarHBondContact O-OG 2.83Å; S315-S319 VanDerWaalsContact O-CB 3.26Å; S315-S319 WeakPolarHBondContact O-CB 3.24Å; S315-S319 PolarHBondContact O-N 3.28Å; S315-S319 PolarHBondContact O-OG 3.01Å
316L30.5Very low33.1Very low32 Ų3277.9 Ų77.917%0.16844%0.443CS..Hα-helixtrans-68.3-47.2174.1-86.3154.8000110W311 S313 S318 S319 F320 P722W311-L316 HydrophobicContact CE3-CD1 4.39Å; W311-L316 HydrophobicContact CE3-CD2 4.13Å; W311-L316 HydrophobicContact CE3-CG 3.86Å; W311-L316 HydrophobicContact CZ3-CD2 3.82Å; W311-L316 HydrophobicContact CZ3-CG 4.01Å; S313-L316 PolarHBondContact O-N 3.18Å; L316-S318 VanDerWaalsContact C-N 3.33Å; L316-S318 PolarHBondContact O-N 2.97Å; L316-S319 PolarHBondContact O-N 2.9Å; L316-F320 HydrophobicContact CB-CD2 4.37Å; L316-F320 HydrophobicContact CD2-CD2 4.19Å; L316-F320 HydrophobicContact CD2-CE2 3.73Å; L316-F320 VanDerWaalsContact O-CB 3.32Å; L316-F320 WeakPolarHBondContact O-CB 3.18Å; L316-F320 WeakPolarHBondContact O-CD2 3.48Å; L316-F320 PolarHBondContact O-N 2.9Å; L316-P722 HydrophobicContact CD1-CB 3.63Å
317A30.4Very low32.4Very low61 Ų6179.6 Ų79.650%0.50445%0.453SS..Hα-helixtrans-59.4-42.9177.900000111.8S313 L314 T321S313-A317 PolarHBondContact O-N 3.26Å; L314-A317 PolarHBondContact O-N 2.93Å; A317-T321 PolarHBondContact O-N 3.43Å; A317-T321 PolarHBondContact O-OG1 2.81Å
318S29.5Very low31.7Very low32 Ų3281.7 Ų81.722%0.22447%0.465CS..Hα-helixtrans-68.3-40176.864.20000112.8L314 S315 L316 T321 T322L314-S318 PolarHBondContact O-N 3.24Å; L314-S318 VanDerWaalsContact O-N 3.14Å; L314-S318 PolarHBondContact O-OG 3.46Å; S315-S318 WeakPolarHBondContact CA-OG 3.46Å; S315-S318 PolarHBondContact O-OG 2.83Å; L316-S318 VanDerWaalsContact C-N 3.33Å; L316-S318 PolarHBondContact O-N 2.97Å; S318-T321 WeakPolarHBondContact CA-OG1 3.3Å; S318-T321 PolarHBondContact O-OG1 3.42Å; S318-T322 WeakPolarHBondContact O-CB 3.29Å; S318-T322 PolarHBondContact O-N 2.91Å; S318-T322 PolarHBondContact O-OG1 3.47Å
319S31Very low31Very low22 Ų2284.6 Ų84.615%0.15448%0.483CS..Hα-helixtrans-66.7-41.1176.4-59.30000111.2S315 L316 T322 I323S315-S319 VanDerWaalsContact O-CB 3.26Å; S315-S319 WeakPolarHBondContact O-CB 3.24Å; S315-S319 PolarHBondContact O-N 3.28Å; S315-S319 PolarHBondContact O-OG 3.01Å; L316-S319 PolarHBondContact O-N 2.9Å; S319-T322 PolarHBondContact O-N 3.45Å; S319-I323 WeakPolarHBondContact O-CB 3.28Å; S319-I323 VanDerWaalsContact O-CG1 3.23Å; S319-I323 WeakPolarHBondContact O-CG1 3.07Å; S319-I323 PolarHBondContact O-N 3.44Å
320F34.2Very low30.6Very low76 Ų7685.2 Ų85.233%0.33349%0.487SS..Hα-helixtrans-67.8-43.2176.6-87.6-68.9000112.3L316 T322 I323 L324 V729L316-F320 HydrophobicContact CB-CD2 4.37Å; L316-F320 HydrophobicContact CD2-CD2 4.19Å; L316-F320 HydrophobicContact CD2-CE2 3.73Å; L316-F320 VanDerWaalsContact O-CB 3.32Å; L316-F320 WeakPolarHBondContact O-CB 3.18Å; L316-F320 WeakPolarHBondContact O-CD2 3.48Å; L316-F320 PolarHBondContact O-N 2.9Å; F320-T322 VanDerWaalsContact C-N 3.3Å; F320-T322 PolarHBondContact O-N 3.41Å; F320-I323 PolarHBondContact O-N 2.89Å; F320-L324 VanDerWaalsContact O-CB 3.27Å; F320-L324 WeakPolarHBondContact O-CB 3.45Å; F320-L324 WeakPolarHBondContact O-CG 3.23Å; F320-L324 PolarHBondContact O-N 3.11Å; F320-V729 HydrophobicContact CE1-CG1 4.2Å; F320-V729 HydrophobicContact CZ-CG1 4.33Å
321T31.4Very low30.1Very low74 Ų7488.7 Ų88.745%0.45449%0.493SS..Hα-helixtrans-63.9-37.5173.332.50000111.4A317 S318 N325A317-T321 PolarHBondContact O-N 3.43Å; A317-T321 PolarHBondContact O-OG1 2.81Å; S318-T321 WeakPolarHBondContact CA-OG1 3.3Å; S318-T321 PolarHBondContact O-OG1 3.42Å; T321-N325 WeakPolarHBondContact O-CB 3.22Å; T321-N325 PolarHBondContact O-N 3.28Å; T321-N325 PolarHBondContact O-ND2 3.35Å
322T33Very low29.4Very low75 Ų7588.8 Ų88.846%0.4651%0.509SS..Hα-helixtrans-66.4-42.3176-51.80000111.6S318 S319 F320 S326S318-T322 WeakPolarHBondContact O-CB 3.29Å; S318-T322 PolarHBondContact O-N 2.91Å; S318-T322 PolarHBondContact O-OG1 3.47Å; S319-T322 PolarHBondContact O-N 3.45Å; F320-T322 VanDerWaalsContact C-N 3.3Å; F320-T322 PolarHBondContact O-N 3.41Å; T322-S326 WeakPolarHBondContact O-CB 3.32Å; T322-S326 PolarHBondContact O-N 3.22Å; T322-S326 PolarHBondContact O-OG 3.36Å
323I33.4Very low29.1Very low87 Ų8790.9 Ų90.945%0.44652%0.519SS..Hα-helixtrans-66.5-48.1176.8-68.6165.2000110.6S319 F320 N325 S326 T327S319-I323 WeakPolarHBondContact O-CB 3.28Å; S319-I323 VanDerWaalsContact O-CG1 3.23Å; S319-I323 WeakPolarHBondContact O-CG1 3.07Å; S319-I323 PolarHBondContact O-N 3.44Å; F320-I323 PolarHBondContact O-N 2.89Å; I323-N325 PolarHBondContact O-N 3.39Å; I323-S326 WeakPolarHBondContact CA-OG 3.46Å; I323-S326 PolarHBondContact O-N 3.32Å; I323-S326 PolarHBondContact O-OG 2.96Å; I323-T327 PolarHBondContact O-N 3.05Å; I323-T327 PolarHBondContact O-OG1 3.36Å
324L31Very low28.8Very low106 Ų10692.8 Ų92.856%0.55552%0.521SS*.Hα-helixtrans-62-41.7178.1-77.1163000111.9F320 T327 Q328F320-L324 VanDerWaalsContact O-CB 3.27Å; F320-L324 WeakPolarHBondContact O-CB 3.45Å; F320-L324 WeakPolarHBondContact O-CG 3.23Å; F320-L324 PolarHBondContact O-N 3.11Å; L324-T327 WeakPolarHBondContact CA-OG1 3.34Å; L324-T327 PolarHBondContact O-N 3.49Å; L324-T327 PolarHBondContact O-OG1 3.26Å; L324-Q328 PolarHBondContact O-N 2.88Å
325N29.7Very low28.7Very low85 Ų8593.4 Ų93.446%0.45552%0.524SS..Hα-helixtrans-71.7-31.6176.8-67-16.3000111.7T321 I323 T327 Q328 N329T321-N325 WeakPolarHBondContact O-CB 3.22Å; T321-N325 PolarHBondContact O-N 3.28Å; T321-N325 PolarHBondContact O-ND2 3.35Å; I323-N325 PolarHBondContact O-N 3.39Å; N325-T327 VanDerWaalsContact C-N 3.32Å; N325-Q328 PolarHBondContact O-N 3.39Å; N325-N329 WeakPolarHBondContact O-CB 3.49Å; N325-N329 PolarHBondContact O-N 2.92Å
326S32.3Very low28.3Very low76 Ų7699.9 Ų99.953%0.53156%0.555SS.*Hα-helixtrans-67.7-32.3173.976.10000112.4T322 I323 Q328T322-S326 WeakPolarHBondContact O-CB 3.32Å; T322-S326 PolarHBondContact O-N 3.22Å; T322-S326 PolarHBondContact O-OG 3.36Å; I323-S326 WeakPolarHBondContact CA-OG 3.46Å; I323-S326 PolarHBondContact O-N 3.32Å; I323-S326 PolarHBondContact O-OG 2.96Å; S326-Q328 VanDerWaalsContact C-N 3.34Å
327T30.1Very low27.9Very low99 Ų99103 Ų10361%0.60759%0.586SS**Hα-helixtrans-74.2-21.3173.641.80000113.8I323 L324 N325I323-T327 PolarHBondContact O-N 3.05Å; I323-T327 PolarHBondContact O-OG1 3.36Å; L324-T327 WeakPolarHBondContact CA-OG1 3.34Å; L324-T327 PolarHBondContact O-N 3.49Å; L324-T327 PolarHBondContact O-OG1 3.26Å; N325-T327 VanDerWaalsContact C-N 3.32Å
328Q27.2Very low27.6Very low155 Ų155103.4 Ų103.472%0.72460%0.596SS**Hα-helixtrans-94.4-26.2175.5-73.8-169.5-10.100113.8L324 N325 S326 S330L324-Q328 PolarHBondContact O-N 2.88Å; N325-Q328 PolarHBondContact O-N 3.39Å; S326-Q328 VanDerWaalsContact C-N 3.34Å; Q328-S330 VanDerWaalsContact C-N 3.31Å; Q328-S330 PolarHBondContact O-N 2.87Å
329N24.4Very low27.3Very low129 Ų129108.6 Ų108.669%0.6962%0.622SS**  trans-9541.2-179.9-73.8-16.8000113.3N325 K331N325-N329 WeakPolarHBondContact O-CB 3.49Å; N325-N329 PolarHBondContact O-N 2.92Å; N329-K331 PolarHBondContact O-N 3.22Å
330S25.5Very low26.9Very low99 Ų99114 Ų11469%0.69265%0.653SS**  trans-73.960.7160.866.70000110.4Q328Q328-S330 VanDerWaalsContact C-N 3.31Å; Q328-S330 PolarHBondContact O-N 2.87Å
331K23.2Very low26.5Very low184 Ų184116 Ų11680%0.867%0.672SS**SBendtrans-143.199.7166.2-79.4-169.4177.5176.50109.6N329N329-K331 PolarHBondContact O-N 3.22Å
332S23.6Very low26Very low100 Ų100119 Ų11970%0.69969%0.685SS**  trans37.989.6142.859.60000116.3D334S332-D334 PolarHBondContact O-N 3.12Å
333L22.9Very low25.7Very low157 Ų157124.2 Ų124.282%0.82270%0.702SS**  trans-92.184153.3-151.587.3000107.5I335L333-I335 VanDerWaalsContact C-N 3.32Å; L333-I335 HydrophobicContact CD2-CD1 4.07Å; L333-I335 HydrophobicContact CD2-CG1 3.92Å; L333-I335 HydrophobicContact CG-CG1 4.37Å; L333-I335 PolarHBondContact O-N 3.5Å
334D21.4Very low25.2Very low136 Ų136127.4 Ų127.473%0.72772%0.718SS**  trans-60.495.4163.3-87.8-39.8000108.3S332 L336S332-D334 PolarHBondContact O-N 3.12Å; D334-L336 PolarHBondContact O-N 2.96Å
335I26.1Very low25Very low149 Ų149130.3 Ų130.376%0.76473%0.729SS**  trans-8364.1162.7-52.9175.6000106.9L333L333-I335 VanDerWaalsContact C-N 3.32Å; L333-I335 HydrophobicContact CD2-CD1 4.07Å; L333-I335 HydrophobicContact CD2-CG1 3.92Å; L333-I335 HydrophobicContact CG-CG1 4.37Å; L333-I335 PolarHBondContact O-N 3.5Å
336L22.6Very low24.8Very low163 Ų163135.7 Ų135.785%0.85375%0.751SS**  trans-13554.2168-102.3167.1000108.3D334D334-L336 PolarHBondContact O-N 2.96Å
337A22.7Very low24.5Very low99 Ų99137.3 Ų137.382%0.81876%0.758SS**  trans-157.8116.9163.200000110
338G23.9Very low24.2Very low69 Ų69142.2 Ų142.271%0.71177%0.771SS**  trans140.962.7161.700000116.5
339N24Very low24Very low141 Ų141139 Ų13975%0.75476%0.762SS**  trans40.199.7138.5-61-11000118.2V341N339-V341 PolarHBondContact O-N 3.31Å; N339-V341 VanDerWaalsContact O-N 3.12Å
340T22.1Very low24.1Very low134 Ų134140.2 Ų140.282%0.82276%0.761SS**  -1.597.6129.346.10000115
341V25.2Very low24Very low119 Ų119143 Ų14372%0.72176%0.763SS**  trans-97.7109.1157.31780000106.7N339 F343N339-V341 PolarHBondContact O-N 3.31Å; N339-V341 VanDerWaalsContact O-N 3.12Å; V341-F343 HydrophobicContact CG1-CD2 4.06Å; V341-F343 HydrophobicContact CG1-CE2 4.12Å; V341-F343 PolarHBondContact O-N 2.94Å; V341-F343 VanDerWaalsContact O-N 3.12Å
342N22.8Very low24.1Very low137 Ų137139.8 Ų139.873%0.73376%0.761SS**  trans-56.7108.1172.4-73.5-29.3000110.2
343F25.8Very low24.2Very low184 Ų184136.4 Ų136.481%0.80774%0.739SS**  trans-118.180.1152.1-90.9-82.5000107.9V341 E345V341-F343 HydrophobicContact CG1-CD2 4.06Å; V341-F343 HydrophobicContact CG1-CE2 4.12Å; V341-F343 PolarHBondContact O-N 2.94Å; V341-F343 VanDerWaalsContact O-N 3.12Å; F343-E345 PolarHBondContact O-N 2.86Å
344I23.2Very low24.2Very low154 Ų154132.1 Ų132.179%0.7972%0.721SS**  trans-81.998.1155.2-62.7172.1000104.8
345E26.5Very low24.6Very low168 Ų168129.5 Ų129.579%0.78572%0.718SS**  trans-152.4133153.7-116.6173.6-156.100110.5F343 T347F343-E345 PolarHBondContact O-N 2.86Å; E345-T347 PolarHBondContact O-N 3.31Å
346Q26.1Very low24.6Very low198 Ų198129 Ų12993%0.92571%0.712SS**  trans-61.894.9-164.3-65.3166.4-7.100112.2
347T26.3Very low24.8Very low109 Ų109125.4 Ų125.467%0.66969%0.693SS**  trans-134122.6155.637.80000106.4E345 V349E345-T347 PolarHBondContact O-N 3.31Å; T347-V349 PolarHBondContact O-N 3.48Å; T347-V349 WeakPolarHBondContact OG1-CG2 3.41Å
348K22.9Very low25.1Very low203 Ų203122 Ų12288%0.88366%0.662SS**  trans-64.968.5160.2-80.2179.3174.3178.60107F350K348-F350 PolarHBondContact O-N 2.75Å
349V23.5Very low25.6Very low88 Ų88119.4 Ų119.453%0.53363%0.633SS.*  trans-62.2117.9161.1-178.50000103T347 H351T347-V349 PolarHBondContact O-N 3.48Å; T347-V349 WeakPolarHBondContact OG1-CG2 3.41Å; V349-H351 PolarHBondContact O-N 3.05Å
350F26.1Very low26.4Very low153 Ų153113.5 Ų113.567%0.67160%0.603SS**  trans-5692.5164.2-79.7-95.4000105.8K348 P352K348-F350 PolarHBondContact O-N 2.75Å; F350-P352 WeakPolarHBondContact O-CD 3.34Å; F350-P352 VanDerWaalsContact O-N 3.11Å
351H22.5Very low27.2Very low158 Ų158109.9 Ų109.973%0.73158%0.583SS**  trans-54.1120.4160.3-76.8-60.9000104V349 A353V349-H351 PolarHBondContact O-N 3.05Å; H351-A353 PolarHBondContact O-N 2.77Å
352P26.6Very low27.9Very low116 Ų116106.5 Ų106.575%0.75356%0.559SS**  trans-49.3124164.821.4-29.7000104.7F350F350-P352 WeakPolarHBondContact O-CD 3.34Å; F350-P352 VanDerWaalsContact O-N 3.11Å
353A24.4Very low29Very low30 Ų30100.3 Ų100.325%0.24853%0.526CS..  trans-45.3134.1-17000000108.2H351 A355 L357 T358H351-A353 PolarHBondContact O-N 2.77Å; A353-A355 PolarHBondContact O-N 2.98Å; A353-L357 HydrophobicContact CB-CB 4.09Å; A353-T358 HydrophobicContact CB-CG2 4.01Å; A353-T358 VanDerWaalsContact O-CG2 3.26Å; A353-T358 WeakPolarHBondContact O-CG2 3.39Å
354P23.7Very low30.1Very low67 Ų6791.9 Ų91.944%0.43549%0.489SS..  trans-52.6138.2-172.821.7-33000108.7H356 L357P354-H356 VanDerWaalsContact CB-CE1 3.42Å; P354-H356 WeakPolarHBondContact CB-CE1 3.31Å; P354-H356 VanDerWaalsContact CG-CE1 3.44Å; P354-H356 WeakPolarHBondContact CG-CE1 3.44Å; P354-H356 CarbonylContact O-C 3.58Å; P354-H356 PolarHBondContact O-N 2.92Å; P354-L357 HydrophobicContact CG-CD1 4.05Å; P354-L357 PolarHBondContact O-N 3.15Å
355A29.1Very low31.2Very low80 Ų8087.4 Ų87.466%0.66147%0.466SS*.THydrogen-bonded Turntrans-51.4-13.9-159.300000117A353 T358A353-A355 PolarHBondContact O-N 2.98Å; A355-T358 WeakPolarHBondContact CA-OG1 3.47Å; A355-T358 PolarHBondContact O-OG1 3.49Å
356H27Very low32.4Very low140 Ų14079.7 Ų79.765%0.64843%0.431SS*.THydrogen-bonded Turntrans-80.4-25.3172.560.2-88.6000114.2P354P354-H356 VanDerWaalsContact CB-CE1 3.42Å; P354-H356 WeakPolarHBondContact CB-CE1 3.31Å; P354-H356 VanDerWaalsContact CG-CE1 3.44Å; P354-H356 WeakPolarHBondContact CG-CE1 3.44Å; P354-H356 CarbonylContact O-C 3.58Å; P354-H356 PolarHBondContact O-N 2.92Å
357L25.7Very low33.8Very low87 Ų8771.9 Ų71.946%0.45539%0.394SS..THydrogen-bonded Turntrans-91.5-17.8174.7-72.4172.5000112.9A353 P354 C359A353-L357 HydrophobicContact CB-CB 4.09Å; P354-L357 HydrophobicContact CG-CD1 4.05Å; P354-L357 PolarHBondContact O-N 3.15Å; L357-C359 PolarHBondContact O-N 2.9Å
358T29.1Very low35.3Very low26 Ų2675.2 Ų75.216%0.1640%0.402CS..  trans-75.176.616851.60000109.2A353 A355 S360A353-T358 HydrophobicContact CB-CG2 4.01Å; A353-T358 VanDerWaalsContact O-CG2 3.26Å; A353-T358 WeakPolarHBondContact O-CG2 3.39Å; A355-T358 WeakPolarHBondContact CA-OG1 3.47Å; A355-T358 PolarHBondContact O-OG1 3.49Å; T358-S360 PolarHBondContact O-N 2.73Å
359C35.1Very low37.2Very low15 Ų1569 Ų6910%0.10138%0.375CS..THydrogen-bonded Turntrans-47.5-30.3164.8-95.80000111.3L357 S361 Q362 F363L357-C359 PolarHBondContact O-N 2.9Å; C359-S361 PolarHBondContact O-N 2.85Å; C359-Q362 PolarHBondContact O-N 2.96Å; C359-F363 HydrophobicContact CB-CD2 3.72Å; C359-F363 HydrophobicContact CB-CE2 3.6Å; C359-F363 VanDerWaalsContact O-CD2 3.22Å; C359-F363 WeakPolarHBondContact O-CD2 3.45Å; C359-F363 PolarHBondContact O-N 3.38Å; C359-F363 VanDerWaalsContact O-N 3.13Å
360S39.9Very low39.3Very low18 Ų1865.1 Ų65.113%0.12635%0.352CS..Hα-helixtrans-52.9-52.5-172.161.90000114.1S239 T358 Q362 F363 F364 F369S239-S360 VanDerWaalsContact O-CB 3.27Å; S239-S360 WeakPolarHBondContact O-CB 3.48Å; S239-S360 PolarHBondContact O-OG 3.27Å; T358-S360 PolarHBondContact O-N 2.73Å; S360-Q362 PolarHBondContact O-N 3.32Å; S360-Q362 VanDerWaalsContact O-N 3.11Å; S360-F363 PolarHBondContact O-N 2.74Å; S360-F364 WeakPolarHBondContact O-CD2 3.48Å; S360-F364 WeakPolarHBondContact O-CE2 3.14Å; S360-F364 PolarHBondContact O-N 3.02Å; S360-F369 WeakPolarHBondContact O-CZ 3.3Å
361S40.1Very low41.2Very low58 Ų5863.1 Ų63.141%0.40634%0.343SS..Hα-helixtrans-57.5-32.9-177.565.40000114C359C359-S361 PolarHBondContact O-N 2.85Å
362Q39.9Very low43.3Very low47 Ų4756.2 Ų56.222%0.2231%0.311CS..Hα-helixtrans-85.6-33.1-176.5-62.5176.9000112.6C359 S360 F364 I561 S564C359-Q362 PolarHBondContact O-N 2.96Å; S360-Q362 PolarHBondContact O-N 3.32Å; S360-Q362 VanDerWaalsContact O-N 3.11Å; Q362-F364 VanDerWaalsContact C-N 3.29Å; Q362-F364 PolarHBondContact O-N 3.27Å; Q362-I561 HydrophobicContact CB-CG1 3.63Å; Q362-S564 VanDerWaalsContact OE1-CB 3.29Å; Q362-S564 PolarHBondContact OE1-OG 2.94Å
363F44.8Very low44.5Very low8 Ų852.2 Ų52.24%0.03529%0.286CS..Hα-helixtrans-64.7-29.2175.9-87.9-77.7000113.9C359 S360 V403 F404 Y407 Q557 I561C359-F363 HydrophobicContact CB-CD2 3.72Å; C359-F363 HydrophobicContact CB-CE2 3.6Å; C359-F363 VanDerWaalsContact O-CD2 3.22Å; C359-F363 WeakPolarHBondContact O-CD2 3.45Å; C359-F363 PolarHBondContact O-N 3.38Å; C359-F363 VanDerWaalsContact O-N 3.13Å; S360-F363 PolarHBondContact O-N 2.74Å; F363-V403 HydrophobicContact CD1-CG1 4.39Å; F363-F404 AromaticContact CE1-CD2 3.99Å; F363-F404 HydrophobicContact CE1-CD2 3.99Å; F363-F404 AromaticContact CZ-CD2 3.89Å; F363-F404 HydrophobicContact CZ-CD2 3.89Å; F363-F404 HydrophobicContact CZ-CE2 4.37Å; F363-Y407 AromaticContact CE1-CD1 3.79Å; F363-Y407 HydrophobicContact CE1-CD1 3.79Å; F363-Y407 AromaticContact CE1-CD2 3.99Å; F363-Y407 HydrophobicContact CE1-CD2 3.99Å; F363-Y407 AromaticContact CE1-CG 3.48Å; F363-Y407 HydrophobicContact CE1-CG 3.48Å; F363-Y407 VanDerWaalsContact CE1-CG 3.48Å; F363-Y407 HydrophobicContact CE2-CD1 4.46Å; F363-Y407 HydrophobicContact CE2-CE1 4.45Å; F363-Y407 AromaticContact CZ-CD1 3.31Å; F363-Y407 HydrophobicContact CZ-CD1 3.31Å; F363-Y407 AromaticContact CZ-CD2 3.75Å; F363-Y407 HydrophobicContact CZ-CD2 3.75Å; F363-Y407 AromaticContact CZ-CE1 3.64Å; F363-Y407 HydrophobicContact CZ-CE1 3.64Å; F363-Y407 HydrophobicContact CZ-CE2 4.04Å; F363-Y407 AromaticContact CZ-CG 3.38Å; F363-Y407 HydrophobicContact CZ-CG 3.38Å; F363-Q557 PolarHBondContact O-NE2 3.45Å; F363-I561 HydrophobicContact CB-CD1 4.41Å; F363-I561 HydrophobicContact CD1-CD1 3.53Å; F363-I561 HydrophobicContact CD2-CD1 3.9Å; F363-I561 HydrophobicContact CE1-CD1 3.62Å; F363-I561 HydrophobicContact CE2-CD1 3.96Å; F363-I561 HydrophobicContact CE2-CG2 4.21Å; F363-I561 HydrophobicContact CG-CD1 3.68Å; F363-I561 HydrophobicContact CZ-CD1 3.84Å; F363-I561 HydrophobicContact CZ-CG2 4.47Å
364F49.6Very low45.6Very low7 Ų754.1 Ų54.13%0.03129%0.29CS..THydrogen-bonded Turntrans-115.524.9-166.4-47.4-64.1000114.7W248 S360 Q362 T366 E367 F369 W400W248-F364 HydrophobicContact CH2-CE1 4.01Å; W248-F364 AromaticContact CH2-CZ 3.54Å; W248-F364 HydrophobicContact CH2-CZ 3.54Å; W248-F364 AromaticContact CZ2-CZ 3.75Å; W248-F364 HydrophobicContact CZ2-CZ 3.75Å; S360-F364 WeakPolarHBondContact O-CD2 3.48Å; S360-F364 WeakPolarHBondContact O-CE2 3.14Å; S360-F364 PolarHBondContact O-N 3.02Å; Q362-F364 VanDerWaalsContact C-N 3.29Å; Q362-F364 PolarHBondContact O-N 3.27Å; F364-T366 PolarHBondContact O-N 3.09Å; F364-E367 PolarHBondContact O-N 2.88Å; F364-F369 HydrophobicContact CB-CE1 4.26Å; F364-F369 HydrophobicContact CB-CE2 4.49Å; F364-F369 HydrophobicContact CB-CZ 4.04Å; F364-F369 HydrophobicContact CD2-CD1 4.1Å; F364-F369 AromaticContact CD2-CE1 3.24Å; F364-F369 HydrophobicContact CD2-CE1 3.24Å; F364-F369 AromaticContact CD2-CZ 3.59Å; F364-F369 HydrophobicContact CD2-CZ 3.59Å; F364-F369 AromaticContact CE2-CE1 3.9Å; F364-F369 HydrophobicContact CE2-CE1 3.9Å; F364-F369 HydrophobicContact CG-CE1 4.13Å; F364-F369 HydrophobicContact CG-CZ 4.3Å; F364-W400 AromaticContact CD1-CD1 3.96Å; F364-W400 AromaticContact CD1-CD2 3.67Å; F364-W400 HydrophobicContact CD1-CD2 3.67Å; F364-W400 AromaticContact CD1-CE2 3.3Å; F364-W400 HydrophobicContact CD1-CE3 4.22Å; F364-W400 HydrophobicContact CD1-CG 4.06Å; F364-W400 HydrophobicContact CD1-CH2 4.08Å; F364-W400 AromaticContact CD1-CZ2 3.54Å; F364-W400 HydrophobicContact CD1-CZ2 3.54Å; F364-W400 HydrophobicContact CD1-CZ3 4.39Å; F364-W400 AromaticContact CD1-NE1 3.55Å; F364-W400 HydrophobicContact CD2-CH2 4.17Å; F364-W400 HydrophobicContact CD2-CZ2 4.24Å; F364-W400 HydrophobicContact CE1-CB 4.29Å; F364-W400 AromaticContact CE1-CD1 3.95Å; F364-W400 AromaticContact CE1-CD2 3.14Å; F364-W400 HydrophobicContact CE1-CD2 3.14Å; F364-W400 AromaticContact CE1-CE2 3.33Å; F364-W400 AromaticContact CE1-CE3 3.38Å; F364-W400 HydrophobicContact CE1-CE3 3.38Å; F364-W400 AromaticContact CE1-CG 3.59Å; F364-W400 HydrophobicContact CE1-CG 3.59Å; F364-W400 AromaticContact CE1-CH2 3.88Å; F364-W400 HydrophobicContact CE1-CH2 3.88Å; F364-W400 AromaticContact CE1-CZ2 3.71Å; F364-W400 HydrophobicContact CE1-CZ2 3.71Å; F364-W400 AromaticContact CE1-CZ3 3.73Å; F364-W400 HydrophobicContact CE1-CZ3 3.73Å; F364-W400 AromaticContact CE1-NE1 3.85Å; F364-W400 HydrophobicContact CE2-CE3 4.44Å; F364-W400 AromaticContact CE2-CH2 3.97Å; F364-W400 HydrophobicContact CE2-CH2 3.97Å; F364-W400 HydrophobicContact CE2-CZ2 4.38Å; F364-W400 HydrophobicContact CE2-CZ3 4Å; F364-W400 HydrophobicContact CG-CH2 4.24Å; F364-W400 AromaticContact CG-CZ2 3.85Å; F364-W400 HydrophobicContact CG-CZ2 3.85Å; F364-W400 AromaticContact CZ-CD2 3.83Å; F364-W400 HydrophobicContact CZ-CD2 3.83Å; F364-W400 AromaticContact CZ-CE3 3.53Å; F364-W400 HydrophobicContact CZ-CE3 3.53Å; F364-W400 AromaticContact CZ-CH2 3.83Å; F364-W400 HydrophobicContact CZ-CH2 3.83Å; F364-W400 HydrophobicContact CZ-CZ2 4.14Å; F364-W400 AromaticContact CZ-CZ3 3.52Å; F364-W400 HydrophobicContact CZ-CZ3 3.52Å
365L46.4Very low46.4Very low59 Ų5954.2 Ų54.231%0.30929%0.287SS..THydrogen-bonded Turntrans-51.4-22.6179.7-64.6166.7000115.4L298 W556 Q557 L560L298-L365 HydrophobicContact CD1-CD2 4.47Å; L298-L365 HydrophobicContact CD2-CD2 4.27Å; L365-W556 HydrophobicContact CB-CH2 4.49Å; L365-W556 HydrophobicContact CB-CZ3 3.85Å; L365-W556 HydrophobicContact CD1-CE3 4.05Å; L365-W556 HydrophobicContact CD1-CH2 3.64Å; L365-W556 HydrophobicContact CD1-CZ2 4.43Å; L365-W556 HydrophobicContact CD1-CZ3 3.41Å; L365-W556 VanDerWaalsContact CD1-CZ3 3.41Å; L365-W556 HydrophobicContact CG-CH2 4.49Å; L365-W556 HydrophobicContact CG-CZ3 4.19Å; L365-Q557 HydrophobicContact CB-CG 3.89Å; L365-Q557 HydrophobicContact CD1-CG 3.97Å; L365-Q557 HydrophobicContact CG-CG 4.3Å; L365-L560 HydrophobicContact CD1-CD1 3.22Å
366T50.9Low46.8Very low7 Ų755.5 Ų55.54%0.04329%0.291CS..THydrogen-bonded Turntrans-96.3-1.8-179.955.50000114.4F364 W550 R553 Q557F364-T366 PolarHBondContact O-N 3.09Å; T366-W550 VanDerWaalsContact CB-CZ3 3.43Å; T366-W550 HydrophobicContact CG2-CE3 4.39Å; T366-W550 HydrophobicContact CG2-CH2 4.38Å; T366-W550 HydrophobicContact CG2-CZ3 3.68Å; T366-R553 HydrophobicContact CG2-CB 3.85Å; T366-R553 HydrophobicContact CG2-CG 4.39Å; T366-Q557 PolarHBondContact OG1-NE2 3.21Å
367E55.6Low47.2Very low33 Ų3356.4 Ų56.415%0.15430%0.296CS..SBendtrans-135.1148.1-174.6-73.8-178.9-130.100112.4F364 F369 R399 W400F364-E367 PolarHBondContact O-N 2.88Å; E367-F369 PolarHBondContact O-N 3.16Å; E367-R399 VanDerWaalsContact CD-CZ 3.45Å; E367-R399 IonicContact OE1-CZ 3.72Å; E367-R399 IonicContact OE1-NE 3.5Å; E367-R399 PolarHBondContact OE1-NE 3.05Å; E367-R399 IonicContact OE1-NH2 2.75Å; E367-R399 PolarHBondContact OE1-NH2 2.86Å; E367-R399 IonicContact OE2-CZ 2.97Å; E367-R399 IonicContact OE2-NE 3.55Å; E367-R399 IonicContact OE2-NH2 2.87Å; E367-R399 PolarHBondContact OE2-NH2 3.03Å; E367-W400 PolarHBondContact OE1-NE1 3.47Å; E367-W400 PolarHBondContact OE2-NE1 3.46Å
368Q58Low47.6Very low179 Ų17953.9 Ų53.984%0.83629%0.285SS*.PPolyproline II helixtrans-70.8130.2164.7-67.6-178.1-8.400108.8
369F62.7Low47.7Very low72 Ų7257.2 Ų57.232%0.31631%0.309SS..PPolyproline II helixtrans-51.1137.9166.8-78-79.4000110.2S360 F364 E367 K371S360-F369 WeakPolarHBondContact O-CZ 3.3Å; F364-F369 HydrophobicContact CB-CE1 4.26Å; F364-F369 HydrophobicContact CB-CE2 4.49Å; F364-F369 HydrophobicContact CB-CZ 4.04Å; F364-F369 HydrophobicContact CD2-CD1 4.1Å; F364-F369 AromaticContact CD2-CE1 3.24Å; F364-F369 HydrophobicContact CD2-CE1 3.24Å; F364-F369 AromaticContact CD2-CZ 3.59Å; F364-F369 HydrophobicContact CD2-CZ 3.59Å; F364-F369 AromaticContact CE2-CE1 3.9Å; F364-F369 HydrophobicContact CE2-CE1 3.9Å; F364-F369 HydrophobicContact CG-CE1 4.13Å; F364-F369 HydrophobicContact CG-CZ 4.3Å; E367-F369 PolarHBondContact O-N 3.16Å; F369-K371 PolarHBondContact O-N 3.01Å
370P67.5Low47.6Very low7 Ų759.2 Ų59.25%0.04532%0.319CS..PPolyproline II helixtrans-55.7118.7167.127.4-34.7000107.1R235 W236 W400R235-P370 HydrophobicContact CB-CB 4.38Å; R235-P370 HydrophobicContact CB-CG 3.86Å; W236-P370 HydrophobicContact CB-CB 4.21Å; W236-P370 HydrophobicContact CB-CG 4.02Å; W236-P370 VanDerWaalsContact CD1-O 3.28Å; P370-W400 VanDerWaalsContact CD-CH2 3.49Å; P370-W400 HydrophobicContact CG-CH2 4Å
371K66.9Low47.3Very low111 Ų11164.3 Ų64.348%0.48334%0.343SS..  trans-100.6114.8174.2-74.8-168178.6-170.10107.1F369 C373 D375F369-K371 PolarHBondContact O-N 3.01Å; K371-C373 VanDerWaalsContact C-N 3.33Å; K371-D375 IonicContact NZ-OD1 3.21Å; K371-D375 IonicContact NZ-OD2 2.63Å; K371-D375 PolarHBondContact NZ-OD2 3.05Å
372L67.2Low47.1Very low13 Ų1366.3 Ų66.37%0.06835%0.348CS..SBendtrans-76.6-28.1162.8-71.5-178.8000110.7C184 I187 R188 L233 W236C184-L372 HydrophobicContact CB-CD2 3.95Å; I187-L372 HydrophobicContact CB-CD1 4.08Å; I187-L372 HydrophobicContact CG2-CD1 3.69Å; R188-L372 HydrophobicContact CB-CB 4.07Å; R188-L372 WeakPolarHBondContact CD-O 3.38Å; R188-L372 WeakPolarHBondContact CG-O 3.02Å; L233-L372 HydrophobicContact CD1-CD1 3.86Å; W236-L372 HydrophobicContact CB-CD1 4.24Å; W236-L372 HydrophobicContact CB-CG 4.18Å; W236-L372 HydrophobicContact CD2-CD1 3.33Å; W236-L372 HydrophobicContact CD2-CG 3.92Å; W236-L372 HydrophobicContact CE3-CD1 3.73Å; W236-L372 HydrophobicContact CG-CD1 3.55Å; W236-L372 HydrophobicContact CG-CG 3.6Å; W236-L372 HydrophobicContact CH2-CD1 4.48Å; W236-L372 HydrophobicContact CZ2-CD1 4.15Å; W236-L372 HydrophobicContact CZ3-CD1 4.29Å
373C50.8Low46.8Very low33 Ų3373.5 Ų73.522%0.22337%0.373CS..SBendtrans-112.7138.2-177.5-58.60000111.3L150 R188 K371L150-C373 HydrophobicContact CD1-CB 4.38Å; R188-C373 PolarHBondContact O-SG 3.31Å; K371-C373 VanDerWaalsContact C-N 3.33Å
374M47.6Very low46.6Very low69 Ų6975.1 Ų75.134%0.3438%0.38SS..  trans-77.7147.5165.4-66.5-61.3-92.300109.8S376 N380 M382M374-S376 PolarHBondContact O-N 3.27Å; M374-N380 HydrophobicContact CE-CB 4.05Å; M374-N380 WeakPolarHBondContact CE-O 3.33Å; M374-M382 HydrophobicContact CE-CB 4.47Å
375D40.5Very low46.1Very low70 Ų7079.1 Ų79.137%0.37441%0.409SS..  trans-61125.5164.4-60.4-44.7000106.7K371 H377 S378K371-D375 IonicContact NZ-OD1 3.21Å; K371-D375 IonicContact NZ-OD2 2.63Å; K371-D375 PolarHBondContact NZ-OD2 3.05Å; D375-H377 PolarHBondContact O-N 3.32Å; D375-S378 PolarHBondContact O-N 3.35Å; D375-S378 PolarHBondContact O-OG 3.28Å
376S37.3Very low45.9Very low106 Ų10680.1 Ų80.174%0.74142%0.418SS*.THydrogen-bonded Turntrans-52.3-21.5-179.348.10000113.6M374M374-S376 PolarHBondContact O-N 3.27Å
377H35.3Very low46.2Very low160 Ų16086.5 Ų86.574%0.74145%0.452SS*.THydrogen-bonded Turntrans-89.3-11.2179.2-59.3-66.2000114.3D375 S379D375-H377 PolarHBondContact O-N 3.32Å; H377-S379 PolarHBondContact O-N 3.28Å
378S34.2Very low46.9Very low33 Ų3386.5 Ų86.523%0.23145%0.453CS..  trans-83107.5174.567.70000109.7D375 N380D375-S378 PolarHBondContact O-N 3.35Å; D375-S378 PolarHBondContact O-OG 3.28Å; S378-N380 PolarHBondContact O-N 2.97Å
379S32Very low47.9Very low96 Ų9679.7 Ų79.767%0.67143%0.425SS*.  trans-67.23.416862.50000113.1H377 I381H377-S379 PolarHBondContact O-N 3.28Å; S379-I381 VanDerWaalsContact C-N 3.32Å; S379-I381 PolarHBondContact O-N 2.99Å
380N32.4Very low48.9Very low57 Ų5777.3 Ų77.331%0.30542%0.416SS..  trans-69.688.5172.6-68.5-20.9000109.1M374 S378 M382M374-N380 HydrophobicContact CE-CB 4.05Å; M374-N380 WeakPolarHBondContact CE-O 3.33Å; S378-N380 PolarHBondContact O-N 2.97Å; N380-M382 PolarHBondContact O-N 2.9Å
381I33Very low49.6Very low125 Ų12577.7 Ų77.764%0.64142%0.418SS*.  trans-65.189.8159.1-57.1168.1000105.2S379 R383S379-I381 VanDerWaalsContact C-N 3.32Å; S379-I381 PolarHBondContact O-N 2.99Å; I381-R383 HydrophobicContact CG2-CG 4.09Å; I381-R383 PolarHBondContact O-N 3.37Å
382M35.6Very low50.4Low101 Ų10175.1 Ų75.150%0.49841%0.407SS..  trans-59.7104154.8-120.2-159.690.900104.3M374 N380 E384M374-M382 HydrophobicContact CE-CB 4.47Å; N380-M382 PolarHBondContact O-N 2.9Å; M382-E384 HydrophobicContact CB-CG 4.45Å; M382-E384 HydrophobicContact CE-CG 4.11Å; M382-E384 PolarHBondContact O-N 2.8Å
383R33.7Very low51.3Low198 Ų19875.5 Ų75.575%0.74741%0.408SS*.  trans-64.787162-74.6-177.1174.1177.4-0.7105.3I381 S385 T386I381-R383 HydrophobicContact CG2-CG 4.09Å; I381-R383 PolarHBondContact O-N 3.37Å; R383-S385 PolarHBondContact O-N 2.94Å; R383-S385 PolarHBondContact O-OG 3.21Å; R383-T386 PolarHBondContact O-N 2.6Å
384E42.2Very low53.1Low41 Ų4173.9 Ų73.919%0.19240%0.398CS..THydrogen-bonded Turntrans-64.731.6165.3-68.7-178.9153.900111.8L146 F185 M382L146-E384 HydrophobicContact CD1-CB 4.09Å; L146-E384 WeakPolarHBondContact CD1-OE2 3.48Å; F185-E384 WeakPolarHBondContact CE1-OE2 3.44Å; M382-E384 HydrophobicContact CB-CG 4.45Å; M382-E384 HydrophobicContact CE-CG 4.11Å; M382-E384 PolarHBondContact O-N 2.8Å
385S38.1Very low55Low91 Ų9170.9 Ų70.964%0.63638%0.383SS*.THydrogen-bonded Turntrans-74.2-10.4152.359.90000111.9R383 D387R383-S385 PolarHBondContact O-N 2.94Å; R383-S385 PolarHBondContact O-OG 3.21Å; S385-D387 PolarHBondContact O-N 2.81Å
386T43.4Very low57.2Low80 Ų8068.2 Ų68.249%0.49137%0.369SS..SBendtrans-81.2103.9169.9520000108.7R383 L388R383-T386 PolarHBondContact O-N 2.6Å; T386-L388 PolarHBondContact O-N 2.88Å; T386-L388 VanDerWaalsContact O-N 3.15Å
387D55.4Low59.6Low142 Ų14263.1 Ų63.176%0.75933%0.334SS*.  trans-40120.4173.8-69.9-46.9000110.6S385 S389S385-D387 PolarHBondContact O-N 2.81Å; D387-S389 PolarHBondContact O-N 3.31Å; D387-S389 VanDerWaalsContact O-N 3.13Å
388L71.1Confident62.3Low33 Ų3355.5 Ų55.517%0.17330%0.299CS..  trans-56.3120.8174.1168.2143.3000108.6G228 W229 H232 T386 T390 E393G228-L388 WeakPolarHBondContact O-CD2 3.45Å; W229-L388 HydrophobicContact CE3-CD1 4.33Å; W229-L388 HydrophobicContact CH2-CB 4.42Å; W229-L388 HydrophobicContact CZ2-CB 4.16Å; W229-L388 HydrophobicContact CZ3-CD1 4.41Å; H232-L388 HydrophobicContact CB-CD1 3.69Å; T386-L388 PolarHBondContact O-N 2.88Å; T386-L388 VanDerWaalsContact O-N 3.15Å; L388-T390 PolarHBondContact O-N 3.05Å; L388-E393 HydrophobicContact CD1-CG 3.8Å; L388-E393 HydrophobicContact CD2-CB 4.28Å; L388-E393 HydrophobicContact CD2-CG 3.37Å; L388-E393 HydrophobicContact CG-CG 3.58Å
389S79Confident64.8Low35 Ų3554.1 Ų54.125%0.24529%0.288CS..  trans-69.1107.1-176.3175.20000109.1D387 Q391 Q392 E393D387-S389 PolarHBondContact O-N 3.31Å; D387-S389 VanDerWaalsContact O-N 3.13Å; S389-Q391 PolarHBondContact O-N 3.25Å; S389-Q392 PolarHBondContact O-N 2.6Å; S389-Q392 WeakPolarHBondContact OG-CG 3.46Å; S389-Q392 PolarHBondContact OG-N 2.98Å; S389-E393 PolarHBondContact O-N 2.91Å
390T83.6Confident67.3Low22 Ų2249.8 Ų49.814%0.13526%0.257CS..Hα-helixtrans-55.9-38178.8-640000111.1V224 L227 G228 L388 L394V224-T390 HydrophobicContact CG1-CG2 4.23Å; V224-T390 WeakPolarHBondContact O-CG2 3.36Å; V224-T390 PolarHBondContact O-OG1 3.37Å; L227-T390 HydrophobicContact CB-CG2 4.05Å; L227-T390 HydrophobicContact CD2-CG2 4.03Å; L227-T390 HydrophobicContact CG-CG2 4.09Å; G228-T390 WeakPolarHBondContact CA-OG1 3.42Å; G228-T390 PolarHBondContact N-OG1 3.43Å; L388-T390 PolarHBondContact O-N 3.05Å; T390-L394 VanDerWaalsContact O-CB 3.23Å; T390-L394 WeakPolarHBondContact O-CB 3.25Å; T390-L394 PolarHBondContact O-N 3.37Å
391Q83.2Confident69.8Low16 Ų1647 Ų478%0.07524%0.243CC..Hα-helixtrans-60.9-47.8174.5172.1173.816.700112.3F267 S389 L394 F395F267-Q391 HydrophobicContact CE1-CB 4.42Å; F267-Q391 HydrophobicContact CE1-CG 3.67Å; F267-Q391 HydrophobicContact CZ-CG 4.05Å; S389-Q391 PolarHBondContact O-N 3.25Å; Q391-L394 PolarHBondContact O-N 2.96Å; Q391-F395 HydrophobicContact CG-CD1 4.44Å; Q391-F395 HydrophobicContact CG-CE1 4.28Å; Q391-F395 HydrophobicContact CG-CZ 4.4Å; Q391-F395 WeakPolarHBondContact O-CB 3.35Å; Q391-F395 WeakPolarHBondContact O-CD1 3.49Å; Q391-F395 WeakPolarHBondContact O-CG 3.3Å; Q391-F395 PolarHBondContact O-N 3.35Å
392Q82.5Confident72.4Confident57 Ų5741.1 Ų41.127%0.26621%0.212SC..Hα-helixtrans-66.8-41.6-178.3-68.5-177.2-8.400111.4N279 S389 L394 F395 C396N279-Q392 PolarHBondContact OD1-NE2 3.38Å; S389-Q392 PolarHBondContact O-N 2.6Å; S389-Q392 WeakPolarHBondContact OG-CG 3.46Å; S389-Q392 PolarHBondContact OG-N 2.98Å; Q392-L394 VanDerWaalsContact C-N 3.33Å; Q392-L394 PolarHBondContact O-N 3.13Å; Q392-F395 PolarHBondContact O-N 3Å; Q392-C396 PolarHBondContact O-N 3.21Å; Q392-C396 PolarHBondContact O-SG 3.48Å
393E85.9Confident74.5Confident20 Ų2037 Ų379%0.09319%0.192CC..Hα-helixtrans-62.2-41.6176.4-75.7-61.4154.600112.5C231 H232 R235 L388 S389 C396 L397C231-E393 HydrophobicContact CB-CB 3.88Å; H232-E393 VanDerWaalsContact CA-OE2 3.3Å; H232-E393 WeakPolarHBondContact CA-OE2 3.43Å; H232-E393 HydrophobicContact CB-CG 4.31Å; H232-E393 IonicContact CG-OE1 3.88Å; H232-E393 IonicContact ND1-OE1 2.76Å; H232-E393 PolarHBondContact ND1-OE1 3.46Å; H232-E393 IonicContact ND1-OE2 3.91Å; R235-E393 IonicContact CZ-OE1 2.91Å; R235-E393 IonicContact CZ-OE2 2.78Å; R235-E393 IonicContact NE-OE2 2.77Å; R235-E393 PolarHBondContact NE-OE2 2.89Å; R235-E393 IonicContact NH2-OE1 3.59Å; R235-E393 PolarHBondContact NH2-OE1 3.13Å; R235-E393 IonicContact NH2-OE2 3.79Å; R235-E393 PolarHBondContact NH2-OE2 3.47Å; L388-E393 HydrophobicContact CD1-CG 3.8Å; L388-E393 HydrophobicContact CD2-CB 4.28Å; L388-E393 HydrophobicContact CD2-CG 3.37Å; L388-E393 HydrophobicContact CG-CG 3.58Å; S389-E393 PolarHBondContact O-N 2.91Å; E393-C396 PolarHBondContact O-N 3.13Å; E393-L397 WeakPolarHBondContact O-CB 3.33Å; E393-L397 PolarHBondContact O-N 3.11Å
394L89.1Confident76.7Confident0 Ų027.7 Ų27.70%016%0.158CC..Hα-helixtrans-65.2-42.9176.1-172.163.7000111.5F262 V266 F267 T390 Q391 Q392 C396 L397 W398F262-L394 HydrophobicContact CB-CD2 4.14Å; F262-L394 HydrophobicContact CD2-CD1 4.23Å; F262-L394 HydrophobicContact CG-CD1 4.35Å; V266-L394 HydrophobicContact CG2-CD2 4.24Å; F267-L394 HydrophobicContact CE2-CD2 3.81Å; F267-L394 HydrophobicContact CZ-CD2 4.2Å; T390-L394 VanDerWaalsContact O-CB 3.23Å; T390-L394 WeakPolarHBondContact O-CB 3.25Å; T390-L394 PolarHBondContact O-N 3.37Å; Q391-L394 PolarHBondContact O-N 2.96Å; Q392-L394 VanDerWaalsContact C-N 3.33Å; Q392-L394 PolarHBondContact O-N 3.13Å; L394-C396 PolarHBondContact O-N 3.19Å; L394-L397 PolarHBondContact O-N 3.37Å; L394-W398 HydrophobicContact CD1-CD2 4.31Å; L394-W398 HydrophobicContact CD1-CZ2 3.82Å; L394-W398 HydrophobicContact CD2-CH2 3.64Å; L394-W398 HydrophobicContact CD2-CZ2 3.46Å; L394-W398 VanDerWaalsContact CD2-CZ2 3.46Å; L394-W398 HydrophobicContact CD2-CZ3 4.31Å; L394-W398 HydrophobicContact CG-CD2 3.93Å; L394-W398 VanDerWaalsContact CG-CE2 3.48Å; L394-W398 HydrophobicContact CG-CE3 4.3Å; L394-W398 HydrophobicContact CG-CH2 3.95Å; L394-W398 HydrophobicContact CG-CZ2 3.52Å; L394-W398 HydrophobicContact CG-CZ3 4.3Å; L394-W398 WeakPolarHBondContact O-CB 3.29Å; L394-W398 PolarHBondContact O-N 3.46Å
395F88.4Confident78.4Confident6 Ų626.4 Ų26.43%0.02615%0.153CC..Hα-helixtrans-61.2-43.1174.7-82.420.1000111.9F267 L276 Q391 Q392 W398 R399 N459 F460 L463F267-F395 AromaticContact CE1-CE1 3.64Å; F267-F395 HydrophobicContact CE1-CE1 3.64Å; F267-F395 HydrophobicContact CE1-CZ 4.02Å; F267-F395 HydrophobicContact CE2-CE1 4.48Å; F267-F395 HydrophobicContact CZ-CD1 4.09Å; F267-F395 AromaticContact CZ-CE1 3.4Å; F267-F395 HydrophobicContact CZ-CE1 3.4Å; F267-F395 VanDerWaalsContact CZ-CE1 3.4Å; F267-F395 HydrophobicContact CZ-CZ 4.25Å; L276-F395 HydrophobicContact CD2-CE2 3.82Å; L276-F395 HydrophobicContact CD2-CZ 4.24Å; Q391-F395 HydrophobicContact CG-CD1 4.44Å; Q391-F395 HydrophobicContact CG-CE1 4.28Å; Q391-F395 HydrophobicContact CG-CZ 4.4Å; Q391-F395 WeakPolarHBondContact O-CB 3.35Å; Q391-F395 WeakPolarHBondContact O-CD1 3.49Å; Q391-F395 WeakPolarHBondContact O-CG 3.3Å; Q391-F395 PolarHBondContact O-N 3.35Å; Q392-F395 PolarHBondContact O-N 3Å; F395-W398 HydrophobicContact CD1-CE3 4.01Å; F395-W398 HydrophobicContact CD1-CZ3 4.03Å; F395-W398 HydrophobicContact CE1-CE3 4.36Å; F395-W398 AromaticContact CE1-CZ3 3.97Å; F395-W398 HydrophobicContact CE1-CZ3 3.97Å; F395-R399 VanDerWaalsContact O-CB 3.23Å; F395-R399 WeakPolarHBondContact O-CB 3.48Å; F395-R399 PolarHBondContact O-N 3.26Å; F395-N459 HydrophobicContact CD2-CB 4.34Å; F395-F460 HydrophobicContact CE2-CB 4.25Å; F395-F460 HydrophobicContact CE2-CD2 4.45Å; F395-L463 HydrophobicContact CB-CD2 4.25Å; F395-L463 HydrophobicContact CD1-CD2 3.73Å; F395-L463 HydrophobicContact CD2-CD2 4.06Å; F395-L463 HydrophobicContact CE1-CD2 3.98Å; F395-L463 HydrophobicContact CE2-CD2 4.31Å; F395-L463 HydrophobicContact CG-CD2 3.76Å; F395-L463 HydrophobicContact CZ-CD2 4.27Å
396C85Confident80.2Confident13 Ų1323.2 Ų23.29%0.08813%0.127CC..Hα-helixtrans-63-46.2176.5-63.20000110.8Q392 E393 L394 R399 W400Q392-C396 PolarHBondContact O-N 3.21Å; Q392-C396 PolarHBondContact O-SG 3.48Å; E393-C396 PolarHBondContact O-N 3.13Å; L394-C396 PolarHBondContact O-N 3.19Å; C396-R399 PolarHBondContact O-N 2.77Å; C396-R399 PolarHBondContact SG-NH2 2.75Å; C396-W400 PolarHBondContact O-N 2.7Å
397L89.2Confident81.6Confident0 Ų019.5 Ų19.50%010%0.104CC..Hα-helixtrans-63-45.9179.3179.762.1000112C231 L234 R235 L238 I255 E393 L394 W400 V401C231-L397 HydrophobicContact CB-CD2 4.08Å; L234-L397 HydrophobicContact CD2-CD1 4.16Å; L234-L397 HydrophobicContact CD2-CD2 4.11Å; R235-L397 HydrophobicContact CG-CB 4.22Å; R235-L397 HydrophobicContact CG-CD1 3.91Å; L238-L397 HydrophobicContact CD1-CD1 4.47Å; I255-L397 HydrophobicContact CD1-CD2 3.69Å; I255-L397 HydrophobicContact CD1-CG 4.26Å; I255-L397 HydrophobicContact CG1-CD2 4.46Å; E393-L397 WeakPolarHBondContact O-CB 3.33Å; E393-L397 PolarHBondContact O-N 3.11Å; L394-L397 PolarHBondContact O-N 3.37Å; L397-W400 PolarHBondContact O-N 3.29Å; L397-V401 WeakPolarHBondContact O-CG2 3.33Å; L397-V401 PolarHBondContact O-N 3.17Å
398W90.7Very high82.4Confident0 Ų013.1 Ų13.10%07%0.07CC..Hα-helixtrans-59.7-47.5175.8-70.8-12.6000111.5I259 F262 I263 F267 L394 F395 W400 V401 F402 L427 L463I259-W398 HydrophobicContact CG1-CZ2 4.33Å; F262-W398 HydrophobicContact CB-CH2 4.46Å; F262-W398 HydrophobicContact CB-CZ2 3.73Å; F262-W398 HydrophobicContact CD2-CZ2 4.33Å; F262-W398 HydrophobicContact CG-CZ2 4.45Å; I263-W398 HydrophobicContact CG1-CH2 3.96Å; F267-W398 AromaticContact CE2-CH2 3.78Å; F267-W398 HydrophobicContact CE2-CH2 3.78Å; F267-W398 HydrophobicContact CE2-CZ3 4.18Å; F267-W398 HydrophobicContact CZ-CH2 4.36Å; F267-W398 HydrophobicContact CZ-CZ3 4.33Å; L394-W398 HydrophobicContact CD1-CD2 4.31Å; L394-W398 HydrophobicContact CD1-CZ2 3.82Å; L394-W398 HydrophobicContact CD2-CH2 3.64Å; L394-W398 HydrophobicContact CD2-CZ2 3.46Å; L394-W398 VanDerWaalsContact CD2-CZ2 3.46Å; L394-W398 HydrophobicContact CD2-CZ3 4.31Å; L394-W398 HydrophobicContact CG-CD2 3.93Å; L394-W398 VanDerWaalsContact CG-CE2 3.48Å; L394-W398 HydrophobicContact CG-CE3 4.3Å; L394-W398 HydrophobicContact CG-CH2 3.95Å; L394-W398 HydrophobicContact CG-CZ2 3.52Å; L394-W398 HydrophobicContact CG-CZ3 4.3Å; L394-W398 WeakPolarHBondContact O-CB 3.29Å; L394-W398 PolarHBondContact O-N 3.46Å; F395-W398 HydrophobicContact CD1-CE3 4.01Å; F395-W398 HydrophobicContact CD1-CZ3 4.03Å; F395-W398 HydrophobicContact CE1-CE3 4.36Å; F395-W398 AromaticContact CE1-CZ3 3.97Å; F395-W398 HydrophobicContact CE1-CZ3 3.97Å; W398-W400 VanDerWaalsContact C-N 3.33Å; W398-W400 PolarHBondContact O-N 2.83Å; W398-V401 WeakPolarHBondContact O-CB 3.48Å; W398-V401 PolarHBondContact O-N 3.35Å; W398-V401 VanDerWaalsContact O-N 3.13Å; W398-F402 HydrophobicContact CB-CD2 4.34Å; W398-F402 HydrophobicContact CB-CE2 4.14Å; W398-F402 WeakPolarHBondContact O-CD2 3.33Å; W398-F402 PolarHBondContact O-N 3.35Å; W398-L427 HydrophobicContact CD2-CD2 4.29Å; W398-L427 HydrophobicContact CE3-CD1 3.89Å; W398-L427 HydrophobicContact CE3-CD2 3.95Å; W398-L427 HydrophobicContact CH2-CD1 4.2Å; W398-L427 HydrophobicContact CZ3-CD1 3.57Å; W398-L427 HydrophobicContact CZ3-CD2 4.46Å; W398-L463 HydrophobicContact CB-CD1 3.69Å; W398-L463 HydrophobicContact CE3-CD2 3.85Å; W398-L463 HydrophobicContact CZ3-CD2 4.49Å
399R86.6Confident82.3Confident4 Ų414 Ų142%0.0157%0.071CC..Hα-helixtrans-57.8-45.3177.3-175.9172.258.5-143.4-6.1111.4E367 F395 C396 V401 F402 V403 N459 S462 L463 A466 F554E367-R399 VanDerWaalsContact CD-CZ 3.45Å; E367-R399 IonicContact OE1-CZ 3.72Å; E367-R399 IonicContact OE1-NE 3.5Å; E367-R399 PolarHBondContact OE1-NE 3.05Å; E367-R399 IonicContact OE1-NH2 2.75Å; E367-R399 PolarHBondContact OE1-NH2 2.86Å; E367-R399 IonicContact OE2-CZ 2.97Å; E367-R399 IonicContact OE2-NE 3.55Å; E367-R399 IonicContact OE2-NH2 2.87Å; E367-R399 PolarHBondContact OE2-NH2 3.03Å; F395-R399 VanDerWaalsContact O-CB 3.23Å; F395-R399 WeakPolarHBondContact O-CB 3.48Å; F395-R399 PolarHBondContact O-N 3.26Å; C396-R399 PolarHBondContact O-N 2.77Å; C396-R399 PolarHBondContact SG-NH2 2.75Å; R399-V401 VanDerWaalsContact C-N 3.33Å; R399-V401 PolarHBondContact O-N 3.44Å; R399-F402 PolarHBondContact O-N 3.1Å; R399-V403 HydrophobicContact CG-CG2 4.39Å; R399-V403 WeakPolarHBondContact O-CB 3.41Å; R399-V403 VanDerWaalsContact O-CG2 3.26Å; R399-V403 WeakPolarHBondContact O-CG2 3.46Å; R399-V403 PolarHBondContact O-N 3.37Å; R399-N459 PolarHBondContact NH1-OD1 2.91Å; R399-S462 PolarHBondContact NH1-OG 3.48Å; R399-L463 HydrophobicContact CB-CD1 4.15Å; R399-A466 HydrophobicContact CG-CB 4.02Å; R399-F554 HydrophobicContact CG-CE1 4.36Å; R399-F554 HydrophobicContact CG-CZ 4.04Å
400W84.5Confident81.7Confident4 Ų414.6 Ų14.62%0.0158%0.075CC..Hα-helixtrans-57.9-45.2175-76.526.4000112R235 L238 W248 F364 E367 P370 C396 L397 W398 F404R235-W400 HydrophobicContact CB-CE3 4.13Å; R235-W400 HydrophobicContact CB-CH2 4.08Å; R235-W400 HydrophobicContact CB-CZ3 3.81Å; R235-W400 HydrophobicContact CG-CD2 4.35Å; R235-W400 HydrophobicContact CG-CE3 4.09Å; R235-W400 HydrophobicContact CG-CZ3 4.29Å; R235-W400 VanDerWaalsContact O-CZ3 3.27Å; R235-W400 WeakPolarHBondContact O-CZ3 3.23Å; L238-W400 HydrophobicContact CB-CZ3 4.39Å; W248-W400 HydrophobicContact CH2-CB 4.42Å; W248-W400 AromaticContact CH2-CE3 3.81Å; W248-W400 HydrophobicContact CH2-CE3 3.81Å; W248-W400 HydrophobicContact CH2-CZ3 4.47Å; W248-W400 HydrophobicContact CZ3-CB 4.34Å; F364-W400 AromaticContact CD1-CD1 3.96Å; F364-W400 AromaticContact CD1-CD2 3.67Å; F364-W400 HydrophobicContact CD1-CD2 3.67Å; F364-W400 AromaticContact CD1-CE2 3.3Å; F364-W400 HydrophobicContact CD1-CE3 4.22Å; F364-W400 HydrophobicContact CD1-CG 4.06Å; F364-W400 HydrophobicContact CD1-CH2 4.08Å; F364-W400 AromaticContact CD1-CZ2 3.54Å; F364-W400 HydrophobicContact CD1-CZ2 3.54Å; F364-W400 HydrophobicContact CD1-CZ3 4.39Å; F364-W400 AromaticContact CD1-NE1 3.55Å; F364-W400 HydrophobicContact CD2-CH2 4.17Å; F364-W400 HydrophobicContact CD2-CZ2 4.24Å; F364-W400 HydrophobicContact CE1-CB 4.29Å; F364-W400 AromaticContact CE1-CD1 3.95Å; F364-W400 AromaticContact CE1-CD2 3.14Å; F364-W400 HydrophobicContact CE1-CD2 3.14Å; F364-W400 AromaticContact CE1-CE2 3.33Å; F364-W400 AromaticContact CE1-CE3 3.38Å; F364-W400 HydrophobicContact CE1-CE3 3.38Å; F364-W400 AromaticContact CE1-CG 3.59Å; F364-W400 HydrophobicContact CE1-CG 3.59Å; F364-W400 AromaticContact CE1-CH2 3.88Å; F364-W400 HydrophobicContact CE1-CH2 3.88Å; F364-W400 AromaticContact CE1-CZ2 3.71Å; F364-W400 HydrophobicContact CE1-CZ2 3.71Å; F364-W400 AromaticContact CE1-CZ3 3.73Å; F364-W400 HydrophobicContact CE1-CZ3 3.73Å; F364-W400 AromaticContact CE1-NE1 3.85Å; F364-W400 HydrophobicContact CE2-CE3 4.44Å; F364-W400 AromaticContact CE2-CH2 3.97Å; F364-W400 HydrophobicContact CE2-CH2 3.97Å; F364-W400 HydrophobicContact CE2-CZ2 4.38Å; F364-W400 HydrophobicContact CE2-CZ3 4Å; F364-W400 HydrophobicContact CG-CH2 4.24Å; F364-W400 AromaticContact CG-CZ2 3.85Å; F364-W400 HydrophobicContact CG-CZ2 3.85Å; F364-W400 AromaticContact CZ-CD2 3.83Å; F364-W400 HydrophobicContact CZ-CD2 3.83Å; F364-W400 AromaticContact CZ-CE3 3.53Å; F364-W400 HydrophobicContact CZ-CE3 3.53Å; F364-W400 AromaticContact CZ-CH2 3.83Å; F364-W400 HydrophobicContact CZ-CH2 3.83Å; F364-W400 HydrophobicContact CZ-CZ2 4.14Å; F364-W400 AromaticContact CZ-CZ3 3.52Å; F364-W400 HydrophobicContact CZ-CZ3 3.52Å; E367-W400 PolarHBondContact OE1-NE1 3.47Å; E367-W400 PolarHBondContact OE2-NE1 3.46Å; P370-W400 VanDerWaalsContact CD-CH2 3.49Å; P370-W400 HydrophobicContact CG-CH2 4Å; C396-W400 PolarHBondContact O-N 2.7Å; L397-W400 PolarHBondContact O-N 3.29Å; W398-W400 VanDerWaalsContact C-N 3.33Å; W398-W400 PolarHBondContact O-N 2.83Å; W400-F404 WeakPolarHBondContact O-CB 3.01Å; W400-F404 PolarHBondContact O-N 3Å
401V86Confident80.7Confident0 Ų015.1 Ų15.10%08%0.075CC..Hα-helixtrans-61.5-46.3177.7166.30000111.3V251 V252 I255 L397 W398 R399 F404 C405V251-V401 HydrophobicContact CG1-CG2 4.46Å; V252-V401 HydrophobicContact CB-CG1 4.41Å; V252-V401 HydrophobicContact CG1-CG1 4.31Å; V252-V401 HydrophobicContact CG2-CG1 4.17Å; I255-V401 HydrophobicContact CB-CG1 4.39Å; I255-V401 HydrophobicContact CB-CG2 4.17Å; I255-V401 HydrophobicContact CG1-CG2 4.14Å; I255-V401 HydrophobicContact CG2-CB 4.31Å; I255-V401 HydrophobicContact CG2-CG1 4.13Å; I255-V401 HydrophobicContact CG2-CG2 4.08Å; L397-V401 WeakPolarHBondContact O-CG2 3.33Å; L397-V401 PolarHBondContact O-N 3.17Å; W398-V401 WeakPolarHBondContact O-CB 3.48Å; W398-V401 PolarHBondContact O-N 3.35Å; W398-V401 VanDerWaalsContact O-N 3.13Å; R399-V401 VanDerWaalsContact C-N 3.33Å; R399-V401 PolarHBondContact O-N 3.44Å; V401-F404 PolarHBondContact O-N 3.02Å; V401-C405 PolarHBondContact O-N 3.1Å; V401-C405 PolarHBondContact O-SG 3.39Å
402F87Confident79.4Confident0 Ų017 Ų170%010%0.099CC..Hα-helixtrans-68.5-42.7-179.3-72.5-61.7000113.2H256 I259 W398 R399 F404 C405 Y406 L427 L463 A466 V467 M470H256-F402 AromaticContact CE1-CE1 3.56Å; H256-F402 AromaticContact NE2-CE1 3.77Å; I259-F402 HydrophobicContact CD1-CE2 4.15Å; I259-F402 HydrophobicContact CD1-CZ 3.62Å; W398-F402 HydrophobicContact CB-CD2 4.34Å; W398-F402 HydrophobicContact CB-CE2 4.14Å; W398-F402 WeakPolarHBondContact O-CD2 3.33Å; W398-F402 PolarHBondContact O-N 3.35Å; R399-F402 PolarHBondContact O-N 3.1Å; F402-F404 VanDerWaalsContact C-N 3.29Å; F402-F404 PolarHBondContact O-N 3.47Å; F402-C405 PolarHBondContact O-N 3.11Å; F402-Y406 WeakPolarHBondContact O-CB 3.36Å; F402-Y406 PolarHBondContact O-N 2.91Å; F402-L427 HydrophobicContact CD2-CD2 4.43Å; F402-L427 HydrophobicContact CE2-CD2 3.41Å; F402-L427 VanDerWaalsContact CE2-CD2 3.41Å; F402-L427 HydrophobicContact CZ-CD2 3.87Å; F402-L463 HydrophobicContact CD2-CD1 4.27Å; F402-A466 HydrophobicContact CB-CB 4.02Å; F402-V467 HydrophobicContact CD2-CG2 3.68Å; F402-V467 HydrophobicContact CE2-CG2 3.69Å; F402-V467 HydrophobicContact CG-CG2 4.17Å; F402-V467 HydrophobicContact CZ-CG2 4.12Å; F402-M470 HydrophobicContact CD1-CB 4.27Å; F402-M470 HydrophobicContact CD1-CG 4.16Å; F402-M470 HydrophobicContact CD1-SD 3.56Å; F402-M470 VanDerWaalsContact CD1-SD 3.56Å; F402-M470 HydrophobicContact CE1-SD 3.71Å
403V80.1Confident77.9Confident14 Ų1419.1 Ų19.19%0.08511%0.109CC..Hα-helixtrans-61.4-42174.8172.80000110.4F363 R399 Y406 Y407 A466 F554F363-V403 HydrophobicContact CD1-CG1 4.39Å; R399-V403 HydrophobicContact CG-CG2 4.39Å; R399-V403 WeakPolarHBondContact O-CB 3.41Å; R399-V403 VanDerWaalsContact O-CG2 3.26Å; R399-V403 WeakPolarHBondContact O-CG2 3.46Å; R399-V403 PolarHBondContact O-N 3.37Å; V403-Y406 PolarHBondContact O-N 3.49Å; V403-Y407 WeakPolarHBondContact O-CB 3.37Å; V403-Y407 PolarHBondContact O-N 3.25Å; V403-A466 HydrophobicContact CG2-CB 4.08Å; V403-F554 HydrophobicContact CG1-CD1 4.47Å; V403-F554 HydrophobicContact CG2-CD1 3.47Å; V403-F554 VanDerWaalsContact CG2-CD1 3.47Å; V403-F554 HydrophobicContact CG2-CE1 3.57Å; V403-F554 HydrophobicContact CG2-CG 4.11Å; V403-F554 HydrophobicContact CG2-CZ 4.22Å
404F79Confident76.1Confident4 Ų420 Ų202%0.01811%0.114CC..Hα-helixtrans-64.1-41175.7178.4-97.9000113I245 W248 V252 F363 W400 V401 F402 Y407 K408I245-F404 HydrophobicContact CG2-CZ 4.37Å; W248-F404 HydrophobicContact CB-CD1 4.14Å; W248-F404 HydrophobicContact CB-CD2 4.47Å; W248-F404 HydrophobicContact CB-CE1 3.43Å; W248-F404 VanDerWaalsContact CB-CE1 3.43Å; W248-F404 HydrophobicContact CB-CE2 3.83Å; W248-F404 HydrophobicContact CB-CZ 3.23Å; W248-F404 HydrophobicContact CD2-CD1 4.43Å; W248-F404 AromaticContact CD2-CD2 3.8Å; W248-F404 HydrophobicContact CD2-CD2 3.8Å; W248-F404 HydrophobicContact CD2-CE1 4.45Å; W248-F404 AromaticContact CD2-CE2 3.84Å; W248-F404 HydrophobicContact CD2-CE2 3.84Å; W248-F404 HydrophobicContact CD2-CG 4.09Å; W248-F404 HydrophobicContact CD2-CZ 4.15Å; W248-F404 HydrophobicContact CE3-CB 3.76Å; W248-F404 AromaticContact CE3-CD1 3.83Å; W248-F404 HydrophobicContact CE3-CD1 3.83Å; W248-F404 AromaticContact CE3-CD2 3.57Å; W248-F404 HydrophobicContact CE3-CD2 3.57Å; W248-F404 HydrophobicContact CE3-CE1 4.27Å; W248-F404 HydrophobicContact CE3-CE2 4.05Å; W248-F404 AromaticContact CE3-CG 3.43Å; W248-F404 HydrophobicContact CE3-CG 3.43Å; W248-F404 VanDerWaalsContact CE3-CG 3.43Å; W248-F404 HydrophobicContact CE3-CZ 4.35Å; W248-F404 HydrophobicContact CG-CD2 4.21Å; W248-F404 HydrophobicContact CG-CE1 4.17Å; W248-F404 AromaticContact CG-CE2 3.75Å; W248-F404 HydrophobicContact CG-CE2 3.75Å; W248-F404 AromaticContact CG-CZ 3.7Å; W248-F404 HydrophobicContact CG-CZ 3.7Å; W248-F404 HydrophobicContact CZ3-CB 3.79Å; W248-F404 HydrophobicContact CZ3-CD2 4.14Å; W248-F404 AromaticContact CZ3-CG 3.97Å; W248-F404 HydrophobicContact CZ3-CG 3.97Å; V252-F404 HydrophobicContact CG2-CD1 3.65Å; V252-F404 HydrophobicContact CG2-CE1 3.93Å; F363-F404 AromaticContact CE1-CD2 3.99Å; F363-F404 HydrophobicContact CE1-CD2 3.99Å; F363-F404 AromaticContact CZ-CD2 3.89Å; F363-F404 HydrophobicContact CZ-CD2 3.89Å; F363-F404 HydrophobicContact CZ-CE2 4.37Å; W400-F404 WeakPolarHBondContact O-CB 3.01Å; W400-F404 PolarHBondContact O-N 3Å; V401-F404 PolarHBondContact O-N 3.02Å; F402-F404 VanDerWaalsContact C-N 3.29Å; F402-F404 PolarHBondContact O-N 3.47Å; F404-Y407 PolarHBondContact O-N 3.5Å; F404-K408 HydrophobicContact CD1-CD 4.45Å; F404-K408 HydrophobicContact CE1-CD 3.65Å; F404-K408 VanDerWaalsContact CE1-CE 3.48Å; F404-K408 HydrophobicContact CE1-CG 4.15Å; F404-K408 HydrophobicContact CZ-CD 3.81Å; F404-K408 HydrophobicContact CZ-CG 4.09Å; F404-K408 PolarHBondContact O-N 2.78Å
405C78.6Confident73.8Confident14 Ų1426 Ų2610%0.09515%0.151CC..Hα-helixtrans-63-46.6175.5-68.70000111.6V252 V401 F402 Y407 K408 R409 M470V252-C405 WeakPolarHBondContact CG1-SG 3.47Å; V401-C405 PolarHBondContact O-N 3.1Å; V401-C405 PolarHBondContact O-SG 3.39Å; F402-C405 PolarHBondContact O-N 3.11Å; C405-Y407 VanDerWaalsContact C-N 3.32Å; C405-Y407 PolarHBondContact O-N 3.06Å; C405-K408 PolarHBondContact O-N 3.29Å; C405-R409 WeakPolarHBondContact O-CB 3.44Å; C405-R409 PolarHBondContact O-N 3.25Å; C405-M470 HydrophobicContact CB-CG 4.45Å
406Y75.4Confident71.5Confident24 Ų2431.1 Ų31.19%0.09418%0.183CC..Hα-helixtrans-57.1-46176.2173.8-118.5000111.9F402 V403 R409 S410 V469 D473 N558F402-Y406 WeakPolarHBondContact O-CB 3.36Å; F402-Y406 PolarHBondContact O-N 2.91Å; V403-Y406 PolarHBondContact O-N 3.49Å; Y406-R409 PolarHBondContact O-N 3.17Å; Y406-S410 PolarHBondContact O-N 3.25Å; Y406-S410 PolarHBondContact O-OG 3.01Å; Y406-V469 HydrophobicContact CD1-CG1 3.6Å; Y406-V469 HydrophobicContact CD2-CG1 3.29Å; Y406-V469 HydrophobicContact CE1-CG1 3.65Å; Y406-V469 HydrophobicContact CE2-CG1 3.34Å; Y406-V469 HydrophobicContact CG-CG1 3.41Å; Y406-V469 VanDerWaalsContact CG-CG1 3.41Å; Y406-D473 HydrophobicContact CD2-CB 4.41Å; Y406-D473 HydrophobicContact CE2-CB 4.44Å; Y406-N558 HydrophobicContact CD1-CB 4.28Å; Y406-N558 HydrophobicContact CE1-CB 3.88Å; Y406-N558 VanDerWaalsContact CE1-ND2 3.29Å; Y406-N558 WeakPolarHBondContact CE1-ND2 3.41Å
407Y73.6Confident69.4Low1 Ų132.1 Ų32.10%0.00419%0.19CC..Hα-helixtrans-56.6-53.4174.7161.1-89.4000112.4I245 F363 V403 F404 C405 R409 S410 F411 N558 I561 Q565I245-Y407 HydrophobicContact CD1-CE1 4.08Å; F363-Y407 AromaticContact CE1-CD1 3.79Å; F363-Y407 HydrophobicContact CE1-CD1 3.79Å; F363-Y407 AromaticContact CE1-CD2 3.99Å; F363-Y407 HydrophobicContact CE1-CD2 3.99Å; F363-Y407 AromaticContact CE1-CG 3.48Å; F363-Y407 HydrophobicContact CE1-CG 3.48Å; F363-Y407 VanDerWaalsContact CE1-CG 3.48Å; F363-Y407 HydrophobicContact CE2-CD1 4.46Å; F363-Y407 HydrophobicContact CE2-CE1 4.45Å; F363-Y407 AromaticContact CZ-CD1 3.31Å; F363-Y407 HydrophobicContact CZ-CD1 3.31Å; F363-Y407 AromaticContact CZ-CD2 3.75Å; F363-Y407 HydrophobicContact CZ-CD2 3.75Å; F363-Y407 AromaticContact CZ-CE1 3.64Å; F363-Y407 HydrophobicContact CZ-CE1 3.64Å; F363-Y407 HydrophobicContact CZ-CE2 4.04Å; F363-Y407 AromaticContact CZ-CG 3.38Å; F363-Y407 HydrophobicContact CZ-CG 3.38Å; V403-Y407 WeakPolarHBondContact O-CB 3.37Å; V403-Y407 PolarHBondContact O-N 3.25Å; F404-Y407 PolarHBondContact O-N 3.5Å; C405-Y407 VanDerWaalsContact C-N 3.32Å; C405-Y407 PolarHBondContact O-N 3.06Å; Y407-R409 PolarHBondContact O-N 2.87Å; Y407-S410 VanDerWaalsContact O-CB 3.31Å; Y407-S410 WeakPolarHBondContact O-CB 3.49Å; Y407-S410 PolarHBondContact O-N 2.92Å; Y407-S410 VanDerWaalsContact O-N 3.09Å; Y407-F411 HydrophobicContact CD2-CD2 4.06Å; Y407-F411 AromaticContact CD2-CE2 3.84Å; Y407-F411 HydrophobicContact CD2-CE2 3.84Å; Y407-F411 HydrophobicContact CE1-CD2 4.25Å; Y407-F411 HydrophobicContact CE1-CE2 4.46Å; Y407-F411 AromaticContact CE2-CD2 3.54Å; Y407-F411 HydrophobicContact CE2-CD2 3.54Å; Y407-F411 AromaticContact CE2-CE2 3.07Å; Y407-F411 HydrophobicContact CE2-CE2 3.07Å; Y407-F411 HydrophobicContact CE2-CZ 4.02Å; Y407-F411 AromaticContact CZ-CD2 3.62Å; Y407-F411 AromaticContact CZ-CE2 3.43Å; Y407-F411 VanDerWaalsContact CZ-CE2 3.43Å; Y407-F411 PolarHBondContact O-N 3.08Å; Y407-F411 WeakPolarHBondContact OH-CE2 3.41Å; Y407-N558 WeakPolarHBondContact CA-OD1 3.35Å; Y407-N558 VanDerWaalsContact CD2-OD1 3.31Å; Y407-N558 WeakPolarHBondContact CD2-OD1 3.23Å; Y407-I561 HydrophobicContact CD2-CB 3.93Å; Y407-I561 HydrophobicContact CD2-CD1 3.93Å; Y407-I561 HydrophobicContact CD2-CG2 3.87Å; Y407-I561 HydrophobicContact CE2-CB 3.62Å; Y407-I561 HydrophobicContact CE2-CD1 4.35Å; Y407-I561 HydrophobicContact CE2-CG2 3.15Å; Y407-Q565 PolarHBondContact OH-NE2 3.12Å; Y407-Q565 PolarHBondContact OH-OE1 3.12Å
408K71.2Confident67.2Low9 Ų940.7 Ų40.74%0.03923%0.229CC..Hα-helixtrans-61.5-35.1-176.9-88.8-166.7166.61660112.6I245 F404 C405 F411 Q413 L414I245-K408 HydrophobicContact CG2-CD 4.28Å; I245-K408 HydrophobicContact CG2-CG 4.43Å; I245-K408 PolarHBondContact O-NZ 2.94Å; F404-K408 HydrophobicContact CD1-CD 4.45Å; F404-K408 HydrophobicContact CE1-CD 3.65Å; F404-K408 VanDerWaalsContact CE1-CE 3.48Å; F404-K408 HydrophobicContact CE1-CG 4.15Å; F404-K408 HydrophobicContact CZ-CD 3.81Å; F404-K408 HydrophobicContact CZ-CG 4.09Å; F404-K408 PolarHBondContact O-N 2.78Å; C405-K408 PolarHBondContact O-N 3.29Å; K408-F411 PolarHBondContact O-N 3.07Å; K408-Q413 PolarHBondContact O-N 3.18Å; K408-L414 HydrophobicContact CB-CB 4.19Å; K408-L414 HydrophobicContact CB-CD1 3.48Å; K408-L414 VanDerWaalsContact CB-CD1 3.48Å; K408-L414 HydrophobicContact CB-CG 4.39Å; K408-L414 HydrophobicContact CD-CD1 3.62Å; K408-L414 HydrophobicContact CD-CG 4.44Å; K408-L414 HydrophobicContact CG-CD1 4.21Å
409R70.2Confident65.2Low51 Ų5143.1 Ų43.119%0.19224%0.241CC..Hα-helixtrans-70.3-37.4178.7-166.1167.3160.7123.811.9111.5C405 Y406 Y407 F411 G412 E419 D473 K474 S477C405-R409 WeakPolarHBondContact O-CB 3.44Å; C405-R409 PolarHBondContact O-N 3.25Å; Y406-R409 PolarHBondContact O-N 3.17Å; Y407-R409 PolarHBondContact O-N 2.87Å; R409-F411 PolarHBondContact O-N 2.93Å; R409-G412 PolarHBondContact O-N 3.22Å; R409-E419 IonicContact NH1-OE1 2.89Å; R409-E419 PolarHBondContact NH1-OE1 3.05Å; R409-E419 IonicContact NH1-OE2 3.97Å; R409-D473 WeakPolarHBondContact CD-OD2 3.29Å; R409-D473 WeakPolarHBondContact CG-OD2 3.29Å; R409-D473 IonicContact CZ-OD2 3.95Å; R409-D473 IonicContact NE-OD2 2.8Å; R409-D473 PolarHBondContact NE-OD2 3.43Å; R409-D473 PolarHBondContact NH2-O 3.09Å; R409-K474 VanDerWaalsContact NH2-CA 3.27Å; R409-S477 PolarHBondContact NH2-OG 3.16Å
410S66Low63.3Low48 Ų4846.3 Ų46.334%0.33626%0.258SS..Hα-helixtrans-59.6-28.2172.6-55.60000113.1Y406 Y407 N558Y406-S410 PolarHBondContact O-N 3.25Å; Y406-S410 PolarHBondContact O-OG 3.01Å; Y407-S410 VanDerWaalsContact O-CB 3.31Å; Y407-S410 WeakPolarHBondContact O-CB 3.49Å; Y407-S410 PolarHBondContact O-N 2.92Å; Y407-S410 VanDerWaalsContact O-N 3.09Å; S410-N558 WeakPolarHBondContact CB-ND2 3.23Å; S410-N558 PolarHBondContact OG-ND2 3.42Å
411F63.5Low61.8Low32 Ų3250.8 Ų50.814%0.1428%0.279CS..THydrogen-bonded Turntrans-87.50.6174.2-86.7-87.4000114.8Y407 K408 R409 Q413 I562 Q565 D567Y407-F411 HydrophobicContact CD2-CD2 4.06Å; Y407-F411 AromaticContact CD2-CE2 3.84Å; Y407-F411 HydrophobicContact CD2-CE2 3.84Å; Y407-F411 HydrophobicContact CE1-CD2 4.25Å; Y407-F411 HydrophobicContact CE1-CE2 4.46Å; Y407-F411 AromaticContact CE2-CD2 3.54Å; Y407-F411 HydrophobicContact CE2-CD2 3.54Å; Y407-F411 AromaticContact CE2-CE2 3.07Å; Y407-F411 HydrophobicContact CE2-CE2 3.07Å; Y407-F411 HydrophobicContact CE2-CZ 4.02Å; Y407-F411 AromaticContact CZ-CD2 3.62Å; Y407-F411 AromaticContact CZ-CE2 3.43Å; Y407-F411 VanDerWaalsContact CZ-CE2 3.43Å; Y407-F411 PolarHBondContact O-N 3.08Å; Y407-F411 WeakPolarHBondContact OH-CE2 3.41Å; K408-F411 PolarHBondContact O-N 3.07Å; R409-F411 PolarHBondContact O-N 2.93Å; F411-Q413 HydrophobicContact CB-CB 4.5Å; F411-Q413 HydrophobicContact CB-CG 4.07Å; F411-Q413 PolarHBondContact O-N 3.11Å; F411-Q413 VanDerWaalsContact O-N 3.1Å; F411-I562 HydrophobicContact CD2-CG1 4.06Å; F411-I562 HydrophobicContact CE2-CB 4.06Å; F411-I562 HydrophobicContact CE2-CG1 3.31Å; F411-I562 HydrophobicContact CE2-CG2 4.48Å; F411-I562 HydrophobicContact CZ-CB 4.06Å; F411-I562 HydrophobicContact CZ-CG1 3.83Å; F411-I562 HydrophobicContact CZ-CG2 4.2Å; F411-Q565 HydrophobicContact CE1-CB 4.07Å; F411-Q565 HydrophobicContact CZ-CB 3.96Å; F411-Q565 HydrophobicContact CZ-CG 4.19Å; F411-D567 WeakPolarHBondContact CD1-OD2 3.5Å; F411-D567 HydrophobicContact CE1-CB 4.46Å; F411-D567 WeakPolarHBondContact CE1-OD2 3.14Å
412G55.7Low60.9Low55 Ų5554.9 Ų54.957%0.56730%0.304SS*.THydrogen-bonded Turntrans64.610.6-175.100000114.7R409R409-G412 PolarHBondContact O-N 3.22Å
413Q50.6Low60.5Low103 Ų10354.9 Ų54.948%0.48130%0.304SS..  trans-84.9-10.9-174.3-73.2-179.77.800113.8K408 F411 T415K408-Q413 PolarHBondContact O-N 3.18Å; F411-Q413 HydrophobicContact CB-CB 4.5Å; F411-Q413 HydrophobicContact CB-CG 4.07Å; F411-Q413 PolarHBondContact O-N 3.11Å; F411-Q413 VanDerWaalsContact O-N 3.1Å; Q413-T415 PolarHBondContact O-N 3.42Å
414L48.3Very low60.6Low38 Ų3854.3 Ų54.320%0.19930%0.301CS..  trans-100.168.3-175.5-143.8148000110.3K408 C417K408-L414 HydrophobicContact CB-CB 4.19Å; K408-L414 HydrophobicContact CB-CD1 3.48Å; K408-L414 VanDerWaalsContact CB-CD1 3.48Å; K408-L414 HydrophobicContact CB-CG 4.39Å; K408-L414 HydrophobicContact CD-CD1 3.62Å; K408-L414 HydrophobicContact CD-CG 4.44Å; K408-L414 HydrophobicContact CG-CD1 4.21Å; L414-C417 HydrophobicContact CD2-CB 3.51Å; L414-C417 HydrophobicContact CG-CB 4.23Å
415T40.2Very low60.7Low125 Ų12556 Ų5677%0.76731%0.313SS*.SBendtrans-93.1-18.8170.749.20000113Q413Q413-T415 PolarHBondContact O-N 3.42Å
416T39.1Very low60.9Low115 Ų11557.5 Ų57.571%0.70632%0.322SS*.SBendtrans-117.7-10.9-164.951.10000116.2Q418T416-Q418 VanDerWaalsContact C-N 3.26Å; T416-Q418 PolarHBondContact O-N 3.3Å
417C41.9Very low61.5Low34 Ų3456.4 Ų56.423%0.2332%0.317CS..SBendtrans-68.3100.7161.2-109.20000105L414 E419L414-C417 HydrophobicContact CD2-CB 3.51Å; L414-C417 HydrophobicContact CG-CB 4.23Å; C417-E419 PolarHBondContact O-N 3.05Å
418Q43.7Very low62.1Low179 Ų17956.9 Ų56.984%0.83632%0.32SS*.  trans-50.692.8158.5-74.8178.5-18.500105.2T416 N420T416-Q418 VanDerWaalsContact C-N 3.26Å; T416-Q418 PolarHBondContact O-N 3.3Å; Q418-N420 VanDerWaalsContact C-N 3.33Å; Q418-N420 PolarHBondContact O-N 3.45Å
419E47.4Very low62.8Low51 Ų5162 Ų6224%0.23834%0.339CS..  trans-57.2106.8177.3-76.4-177.2-165.300103.5R409 C417 H421R409-E419 IonicContact NH1-OE1 2.89Å; R409-E419 PolarHBondContact NH1-OE1 3.05Å; R409-E419 IonicContact NH1-OE2 3.97Å; C417-E419 PolarHBondContact O-N 3.05Å; E419-H421 WeakPolarHBondContact CB-CE1 3.31Å; E419-H421 WeakPolarHBondContact CB-ND1 3.4Å; E419-H421 PolarHBondContact O-CD2 2.69Å; E419-H421 PolarHBondContact O-N 3.17Å; E419-H421 IonicContact OE2-CE1 2.9Å; E419-H421 PolarHBondContact OE2-CE1 2.83Å; E419-H421 IonicContact OE2-CG 3.92Å; E419-H421 IonicContact OE2-ND1 2.66Å; E419-H421 PolarHBondContact OE2-ND1 3.17Å
420N48.1Very low63.5Low71 Ų7160.7 Ų60.738%0.3833%0.334SS..  trans-66.481.2157.6-82.8-14.3000104.6Q257 Q418 T422 G423Q257-N420 HydrophobicContact CG-CB 4.31Å; Q257-N420 WeakPolarHBondContact CG-ND2 3.46Å; Q257-N420 PolarHBondContact NE2-ND2 3.19Å; Q418-N420 VanDerWaalsContact C-N 3.33Å; Q418-N420 PolarHBondContact O-N 3.45Å; N420-T422 PolarHBondContact O-N 3.1Å; N420-G423 PolarHBondContact O-N 2.87Å
421H52.8Low64.7Low98 Ų9858.4 Ų58.445%0.45432%0.318SS..THydrogen-bonded Turntrans-60-2.2-173.5-62.5-76.1000112.6E419 S425 K474E419-H421 WeakPolarHBondContact CB-CE1 3.31Å; E419-H421 WeakPolarHBondContact CB-ND1 3.4Å; E419-H421 PolarHBondContact O-CD2 2.69Å; E419-H421 PolarHBondContact O-N 3.17Å; E419-H421 IonicContact OE2-CE1 2.9Å; E419-H421 PolarHBondContact OE2-CE1 2.83Å; E419-H421 IonicContact OE2-CG 3.92Å; E419-H421 IonicContact OE2-ND1 2.66Å; E419-H421 PolarHBondContact OE2-ND1 3.17Å; H421-S425 PolarHBondContact O-OG 3Å; H421-K474 WeakPolarHBondContact ND1-CE 3.36Å
422T66.4Low65.8Low87 Ų8757.5 Ų57.553%0.53432%0.315SS..Hα-helixtrans-79.8-35-176.854.40000112.3N420 S425 V426N420-T422 PolarHBondContact O-N 3.1Å; T422-S425 PolarHBondContact O-OG 3.11Å; T422-S425 VanDerWaalsContact O-OG 3.11Å; T422-V426 WeakPolarHBondContact O-CB 3.46Å; T422-V426 WeakPolarHBondContact O-CG2 3.26Å; T422-V426 PolarHBondContact O-N 3.31Å; T422-V426 VanDerWaalsContact O-N 3.11Å
423G77.9Confident67.2Low0 Ų060.5 Ų60.50%031%0.314CS..Hα-helixtrans-66.1-53.8-175.500000113.4H256 I259 N420 S425 V426 L427H256-G423 VanDerWaalsContact O-CA 3.24Å; H256-G423 WeakPolarHBondContact O-CA 3.27Å; I259-G423 WeakPolarHBondContact CG2-O 3.5Å; N420-G423 PolarHBondContact O-N 2.87Å; G423-S425 PolarHBondContact O-N 3.23Å; G423-V426 PolarHBondContact O-N 3.43Å; G423-L427 PolarHBondContact O-N 3.17Å
424S82.4Confident68.8Low1 Ų157.8 Ų57.81%0.00730%0.301CS..Hα-helixtrans-62.9-40.9-177.558.40000112.7L427 H428 M470 E471S424-L427 PolarHBondContact O-N 2.96Å; S424-H428 WeakPolarHBondContact O-CB 3.43Å; S424-H428 PolarHBondContact O-N 2.91Å; S424-M470 VanDerWaalsContact CB-CE 3.43Å; S424-E471 VanDerWaalsContact C-OE1 3.28Å; S424-E471 WeakPolarHBondContact CB-OE1 3.27Å; S424-E471 PolarHBondContact OG-OE1 3.42Å
425S81.8Confident70.7Confident39 Ų3956.3 Ų56.327%0.27329%0.293SS..Hα-helixtrans-68.7-37.517855.30000112.5H421 T422 G423 H428 R429 E471H421-S425 PolarHBondContact O-OG 3Å; T422-S425 PolarHBondContact O-OG 3.11Å; T422-S425 VanDerWaalsContact O-OG 3.11Å; G423-S425 PolarHBondContact O-N 3.23Å; S425-H428 PolarHBondContact O-N 3.41Å; S425-R429 PolarHBondContact O-N 2.78Å; S425-R429 VanDerWaalsContact O-N 3.1Å; S425-E471 PolarHBondContact N-OE1 3.1Å; S425-E471 VanDerWaalsContact N-OE1 3.14Å
426V83.6Confident72.8Confident47 Ų4753.2 Ų53.229%0.28527%0.272SS..Hα-helixtrans-64.6-46172.21700000110.9P260 I263 T422 G423 H428 R429 Y430P260-V426 HydrophobicContact CB-CG1 4.21Å; P260-V426 HydrophobicContact CG-CB 4.32Å; P260-V426 HydrophobicContact CG-CG1 4.13Å; P260-V426 HydrophobicContact CG-CG2 4.34Å; I263-V426 HydrophobicContact CD1-CG1 4Å; T422-V426 WeakPolarHBondContact O-CB 3.46Å; T422-V426 WeakPolarHBondContact O-CG2 3.26Å; T422-V426 PolarHBondContact O-N 3.31Å; T422-V426 VanDerWaalsContact O-N 3.11Å; G423-V426 PolarHBondContact O-N 3.43Å; V426-H428 VanDerWaalsContact C-N 3.34Å; V426-H428 PolarHBondContact O-N 3.38Å; V426-R429 PolarHBondContact O-N 2.71Å; V426-Y430 WeakPolarHBondContact O-CB 3.4Å; V426-Y430 PolarHBondContact O-N 3.4Å
427L88.2Confident74.9Confident0 Ų049.8 Ų49.80%025%0.253CS..Hα-helixtrans-63.9-40.5177.2-176.361000111.8I259 I263 W398 F402 G423 S424 R429 Y430 L431 L463 V467I259-L427 HydrophobicContact CD1-CD2 4.35Å; I259-L427 HydrophobicContact CG2-CB 3.8Å; I263-L427 HydrophobicContact CD1-CB 4.47Å; I263-L427 HydrophobicContact CD1-CD1 3.98Å; I263-L427 HydrophobicContact CG1-CD1 4.47Å; W398-L427 HydrophobicContact CD2-CD2 4.29Å; W398-L427 HydrophobicContact CE3-CD1 3.89Å; W398-L427 HydrophobicContact CE3-CD2 3.95Å; W398-L427 HydrophobicContact CH2-CD1 4.2Å; W398-L427 HydrophobicContact CZ3-CD1 3.57Å; W398-L427 HydrophobicContact CZ3-CD2 4.46Å; F402-L427 HydrophobicContact CD2-CD2 4.43Å; F402-L427 HydrophobicContact CE2-CD2 3.41Å; F402-L427 VanDerWaalsContact CE2-CD2 3.41Å; F402-L427 HydrophobicContact CZ-CD2 3.87Å; G423-L427 PolarHBondContact O-N 3.17Å; S424-L427 PolarHBondContact O-N 2.96Å; L427-R429 PolarHBondContact O-N 3.35Å; L427-Y430 HydrophobicContact CD1-CD1 4.28Å; L427-Y430 WeakPolarHBondContact O-CB 3.27Å; L427-Y430 PolarHBondContact O-N 2.97Å; L427-L431 HydrophobicContact CD1-CD1 4.26Å; L427-L431 HydrophobicContact CD1-CD2 4.48Å; L427-L431 HydrophobicContact CD1-CG 4.08Å; L427-L431 HydrophobicContact CD2-CD1 4.47Å; L427-L431 HydrophobicContact CG-CD1 3.9Å; L427-L431 HydrophobicContact CG-CG 4.17Å; L427-L431 WeakPolarHBondContact O-CB 3.32Å; L427-L431 VanDerWaalsContact O-CG 3.26Å; L427-L431 WeakPolarHBondContact O-CG 3.37Å; L427-L431 PolarHBondContact O-N 3.4Å; L427-L463 HydrophobicContact CD2-CD1 4.34Å; L427-V467 HydrophobicContact CD2-CG2 3.7Å; L427-V467 HydrophobicContact CG-CG2 4.22Å
428H85.8Confident77Confident11 Ų1148.3 Ų48.35%0.05124%0.243CC..Hα-helixtrans-57.2-51176.3178.4-125.8000111.4S424 S425 V426 Y430 L431 L432 F464 V467 F489S424-H428 WeakPolarHBondContact O-CB 3.43Å; S424-H428 PolarHBondContact O-N 2.91Å; S425-H428 PolarHBondContact O-N 3.41Å; V426-H428 VanDerWaalsContact C-N 3.34Å; V426-H428 PolarHBondContact O-N 3.38Å; H428-Y430 VanDerWaalsContact C-N 3.3Å; H428-Y430 PolarHBondContact O-N 3.12Å; H428-L431 PolarHBondContact O-N 3.25Å; H428-L432 WeakPolarHBondContact O-CB 3.4Å; H428-L432 PolarHBondContact O-N 3.14Å; H428-F464 AromaticContact CD2-CE2 3.7Å; H428-F464 AromaticContact NE2-CE2 3.84Å; H428-V467 HydrophobicContact CB-CG1 3.79Å; H428-F489 AromaticContact CD2-CZ 3.88Å; H428-F489 AromaticContact CE1-CD2 3.8Å; H428-F489 AromaticContact CE1-CE1 3.63Å; H428-F489 AromaticContact CE1-CE2 3.28Å; H428-F489 WeakPolarHBondContact CE1-CE2 3.31Å; H428-F489 AromaticContact CE1-CZ 3.17Å; H428-F489 WeakPolarHBondContact CE1-CZ 3.47Å; H428-F489 AromaticContact CG-CE2 3.89Å; H428-F489 AromaticContact CG-CZ 3.86Å; H428-F489 AromaticContact ND1-CD2 3.87Å; H428-F489 AromaticContact ND1-CE2 3.17Å; H428-F489 WeakPolarHBondContact ND1-CE2 3.39Å; H428-F489 AromaticContact ND1-CZ 3.43Å; H428-F489 WeakPolarHBondContact ND1-CZ 3.39Å; H428-F489 AromaticContact NE2-CE1 3.83Å; H428-F489 AromaticContact NE2-CZ 3.48Å; H428-F489 WeakPolarHBondContact NE2-CZ 3.48Å
429R84.8Confident78.9Confident118 Ų11841 Ų4145%0.44521%0.21SC..Hα-helixtrans-60.4-41.5177.7-170.4-179.7-63.3125.11.9111.9S425 V426 L427 L432 Q433S425-R429 PolarHBondContact O-N 2.78Å; S425-R429 VanDerWaalsContact O-N 3.1Å; V426-R429 PolarHBondContact O-N 2.71Å; L427-R429 PolarHBondContact O-N 3.35Å; R429-L432 WeakPolarHBondContact O-CB 2.88Å; R429-L432 PolarHBondContact O-N 2.88Å; R429-Q433 WeakPolarHBondContact O-CG 3.36Å; R429-Q433 PolarHBondContact O-N 3.32Å
430Y86.3Confident80.6Confident22 Ų2241.6 Ų41.69%0.08622%0.22CC..Hα-helixtrans-61.7-47175.6175.7-94.1000111.9I263 F267 V426 L427 H428 L432 Q433 E434I263-Y430 HydrophobicContact CD1-CD1 4.47Å; I263-Y430 HydrophobicContact CD1-CG 4.14Å; I263-Y430 HydrophobicContact CG1-CG 4.44Å; I263-Y430 HydrophobicContact CG2-CD2 3.52Å; I263-Y430 HydrophobicContact CG2-CE2 3.73Å; I263-Y430 HydrophobicContact CG2-CG 4.02Å; F267-Y430 HydrophobicContact CB-CE2 4.31Å; F267-Y430 WeakPolarHBondContact CB-OH 3.38Å; F267-Y430 VanDerWaalsContact CD1-OH 3.29Å; F267-Y430 WeakPolarHBondContact CD1-OH 3.3Å; F267-Y430 WeakPolarHBondContact CG-OH 3.29Å; V426-Y430 WeakPolarHBondContact O-CB 3.4Å; V426-Y430 PolarHBondContact O-N 3.4Å; L427-Y430 HydrophobicContact CD1-CD1 4.28Å; L427-Y430 WeakPolarHBondContact O-CB 3.27Å; L427-Y430 PolarHBondContact O-N 2.97Å; H428-Y430 VanDerWaalsContact C-N 3.3Å; H428-Y430 PolarHBondContact O-N 3.12Å; Y430-L432 VanDerWaalsContact C-N 3.29Å; Y430-L432 PolarHBondContact O-N 2.99Å; Y430-Q433 PolarHBondContact O-N 3.43Å; Y430-E434 HydrophobicContact CD1-CG 4.28Å; Y430-E434 HydrophobicContact CE1-CG 3.68Å; Y430-E434 HydrophobicContact CE2-CG 4.17Å; Y430-E434 PolarHBondContact O-N 3.22Å
431L89.5Confident82.2Confident0 Ų042.5 Ų42.50%022%0.218CC..Hα-helixtrans-64.4-33.9178.1-68.6173.8000112.2L427 H428 E434 F435 F460 L463 F464 V467L427-L431 HydrophobicContact CD1-CD1 4.26Å; L427-L431 HydrophobicContact CD1-CD2 4.48Å; L427-L431 HydrophobicContact CD1-CG 4.08Å; L427-L431 HydrophobicContact CD2-CD1 4.47Å; L427-L431 HydrophobicContact CG-CD1 3.9Å; L427-L431 HydrophobicContact CG-CG 4.17Å; L427-L431 WeakPolarHBondContact O-CB 3.32Å; L427-L431 VanDerWaalsContact O-CG 3.26Å; L427-L431 WeakPolarHBondContact O-CG 3.37Å; L427-L431 PolarHBondContact O-N 3.4Å; H428-L431 PolarHBondContact O-N 3.25Å; L431-E434 PolarHBondContact O-N 2.8Å; L431-F435 VanDerWaalsContact O-CB 3.3Å; L431-F435 WeakPolarHBondContact O-CB 3.47Å; L431-F435 PolarHBondContact O-N 2.71Å; L431-F460 HydrophobicContact CB-CE2 4.42Å; L431-F460 HydrophobicContact CD2-CD2 3.92Å; L431-F460 HydrophobicContact CD2-CE2 3.63Å; L431-L463 HydrophobicContact CD1-CD2 4.28Å; L431-L463 HydrophobicContact CD1-CG 4.05Å; L431-L463 HydrophobicContact CD2-CD2 4.1Å; L431-F464 HydrophobicContact CB-CD1 4.47Å; L431-F464 HydrophobicContact CB-CD2 4.19Å; L431-F464 HydrophobicContact CB-CE2 4.45Å; L431-F464 HydrophobicContact CB-CG 4.24Å; L431-F464 HydrophobicContact CD1-CB 4.26Å; L431-F464 HydrophobicContact CD1-CD2 4.33Å; L431-F464 HydrophobicContact CD1-CG 4.43Å; L431-V467 HydrophobicContact CD1-CB 4.38Å; L431-V467 HydrophobicContact CD1-CG2 4Å
432L86.6Confident83.8Confident14 Ų1438 Ų387%0.07320%0.197CC..Hα-helixtrans-65.3-44.2174.4-160.971.1000111.8H428 R429 Y430 F435 N436 F464 E492 Q493H428-L432 WeakPolarHBondContact O-CB 3.4Å; H428-L432 PolarHBondContact O-N 3.14Å; R429-L432 WeakPolarHBondContact O-CB 2.88Å; R429-L432 PolarHBondContact O-N 2.88Å; Y430-L432 VanDerWaalsContact C-N 3.29Å; Y430-L432 PolarHBondContact O-N 2.99Å; L432-F435 WeakPolarHBondContact O-CB 3.27Å; L432-F435 PolarHBondContact O-N 2.68Å; L432-N436 PolarHBondContact O-N 3.4Å; L432-F464 HydrophobicContact CD1-CZ 3.88Å; L432-E492 HydrophobicContact CD2-CB 4.25Å; L432-Q493 HydrophobicContact CD1-CG 3.66Å; L432-Q493 VanDerWaalsContact CD1-NE2 3.26Å; L432-Q493 HydrophobicContact CD2-CG 4.16Å; L432-Q493 HydrophobicContact CG-CG 4.03Å
433Q85.2Confident84.5Confident118 Ų11835.9 Ų35.955%0.55119%0.186SC*.Hα-helixtrans-63.2-44174.4-71.7175.5-12.100111.3R429 Y430 F435 N436 S437R429-Q433 WeakPolarHBondContact O-CG 3.36Å; R429-Q433 PolarHBondContact O-N 3.32Å; Y430-Q433 PolarHBondContact O-N 3.43Å; Q433-F435 VanDerWaalsContact C-N 3.34Å; Q433-F435 PolarHBondContact O-N 2.93Å; Q433-N436 PolarHBondContact O-N 3.19Å; Q433-S437 PolarHBondContact O-N 3.29Å
434E85.5Confident84.7Confident46 Ų4644.1 Ų44.122%0.21522%0.222CC..Hα-helixtrans-65.4-36.1175.8-79.2-57116.500112.4Y430 L431 N436 S437 I438 R441 F460Y430-E434 HydrophobicContact CD1-CG 4.28Å; Y430-E434 HydrophobicContact CE1-CG 3.68Å; Y430-E434 HydrophobicContact CE2-CG 4.17Å; Y430-E434 PolarHBondContact O-N 3.22Å; L431-E434 PolarHBondContact O-N 2.8Å; E434-N436 VanDerWaalsContact C-N 3.33Å; E434-N436 PolarHBondContact O-N 2.86Å; E434-S437 CarbonylContact O-C 3.52Å; E434-S437 WeakPolarHBondContact O-CB 3.42Å; E434-S437 PolarHBondContact O-N 2.89Å; E434-I438 WeakPolarHBondContact O-CB 3.49Å; E434-I438 WeakPolarHBondContact O-CD1 3.36Å; E434-I438 WeakPolarHBondContact O-CG1 3.49Å; E434-I438 PolarHBondContact O-N 2.98Å; E434-R441 IonicContact OE2-NH2 3.83Å; E434-F460 HydrophobicContact CB-CE2 3.9Å; E434-F460 HydrophobicContact CB-CZ 4.44Å
435F87.1Confident84.5Confident7 Ų747.1 Ų47.13%0.03124%0.236CC..Hα-helixtrans-59.7-45.5172.6-173.7-90.5000110.9L431 L432 Q433 S437 I438 T439 F460 F461 F464 L543 W544 I547L431-F435 VanDerWaalsContact O-CB 3.3Å; L431-F435 WeakPolarHBondContact O-CB 3.47Å; L431-F435 PolarHBondContact O-N 2.71Å; L432-F435 WeakPolarHBondContact O-CB 3.27Å; L432-F435 PolarHBondContact O-N 2.68Å; Q433-F435 VanDerWaalsContact C-N 3.34Å; Q433-F435 PolarHBondContact O-N 2.93Å; F435-S437 VanDerWaalsContact C-N 3.33Å; F435-S437 PolarHBondContact O-N 3.18Å; F435-I438 PolarHBondContact O-N 2.95Å; F435-T439 HydrophobicContact CD1-CG2 4.1Å; F435-T439 HydrophobicContact CE1-CG2 3.83Å; F435-T439 HydrophobicContact CZ-CG2 4.26Å; F435-T439 WeakPolarHBondContact O-CG2 3.44Å; F435-T439 PolarHBondContact O-N 2.93Å; F435-T439 PolarHBondContact O-OG1 3.41Å; F435-T439 VanDerWaalsContact O-OG1 3.06Å; F435-F460 HydrophobicContact CB-CE1 4.45Å; F435-F460 HydrophobicContact CB-CZ 3.99Å; F435-F460 AromaticContact CD2-CE1 3.97Å; F435-F460 HydrophobicContact CD2-CE1 3.97Å; F435-F460 HydrophobicContact CD2-CZ 4.33Å; F435-F461 HydrophobicContact CE2-CE1 4.23Å; F435-F464 HydrophobicContact CB-CE1 3.95Å; F435-F464 HydrophobicContact CD2-CD1 4.22Å; F435-F464 AromaticContact CD2-CE1 3.89Å; F435-F464 HydrophobicContact CD2-CE1 3.89Å; F435-F464 HydrophobicContact CG-CE1 4.08Å; F435-L543 HydrophobicContact CE2-CB 3.93Å; F435-L543 HydrophobicContact CE2-CD1 4.42Å; F435-L543 HydrophobicContact CZ-CB 3.85Å; F435-L543 HydrophobicContact CZ-CD1 4.39Å; F435-W544 HydrophobicContact CE1-CZ2 4.27Å; F435-W544 AromaticContact CE1-NE1 3.69Å; F435-W544 HydrophobicContact CZ-CD2 4.48Å; F435-W544 AromaticContact CZ-CE2 3.9Å; F435-W544 HydrophobicContact CZ-CZ2 4.33Å; F435-W544 AromaticContact CZ-NE1 3.64Å; F435-I547 HydrophobicContact CD2-CD1 4.37Å; F435-I547 HydrophobicContact CE2-CD1 4.03Å
436N84.6Confident84.3Confident60 Ų6050.3 Ų50.332%0.32125%0.25SS..Hα-helixtrans-64.6-37.5175.9-66.9-13.9000111.8L432 Q433 E434 T439 S440L432-N436 PolarHBondContact O-N 3.4Å; Q433-N436 PolarHBondContact O-N 3.19Å; E434-N436 VanDerWaalsContact C-N 3.33Å; E434-N436 PolarHBondContact O-N 2.86Å; N436-T439 WeakPolarHBondContact CA-OG1 3.49Å; N436-T439 PolarHBondContact O-OG1 2.97Å; N436-S440 VanDerWaalsContact O-CB 3.32Å; N436-S440 WeakPolarHBondContact O-CB 3.5Å; N436-S440 PolarHBondContact O-N 2.91Å
437S83.4Confident83.6Confident43 Ų4353.1 Ų53.130%0.30126%0.26SS..Hα-helixtrans-65.3-42.6172.9173.80000112.6Q433 E434 F435 S440 R441Q433-S437 PolarHBondContact O-N 3.29Å; E434-S437 CarbonylContact O-C 3.52Å; E434-S437 WeakPolarHBondContact O-CB 3.42Å; E434-S437 PolarHBondContact O-N 2.89Å; F435-S437 VanDerWaalsContact C-N 3.33Å; F435-S437 PolarHBondContact O-N 3.18Å; S437-S440 PolarHBondContact O-N 3.1Å; S437-R441 WeakPolarHBondContact O-CG 3.33Å; S437-R441 PolarHBondContact O-N 2.63Å; S437-R441 PolarHBondContact O-NE 3.36Å
438I85.3Confident82.7Confident3 Ų355.5 Ų55.52%0.01527%0.273CS..Hα-helixtrans-61.6-49.5175.7-70.6160.3000110L276 E434 F435 S440 R441 L442 L457 F460L276-I438 HydrophobicContact CD1-CD1 3.88Å; L276-I438 HydrophobicContact CD1-CG1 4.19Å; E434-I438 WeakPolarHBondContact O-CB 3.49Å; E434-I438 WeakPolarHBondContact O-CD1 3.36Å; E434-I438 WeakPolarHBondContact O-CG1 3.49Å; E434-I438 PolarHBondContact O-N 2.98Å; F435-I438 PolarHBondContact O-N 2.95Å; I438-S440 VanDerWaalsContact C-N 3.34Å; I438-S440 PolarHBondContact O-N 3.01Å; I438-R441 VanDerWaalsContact CG1-NH2 3.3Å; I438-R441 PolarHBondContact O-N 3.03Å; I438-L442 HydrophobicContact CG2-CD1 3.76Å; I438-L442 HydrophobicContact CG2-CG 4.2Å; I438-L442 WeakPolarHBondContact O-CB 3.46Å; I438-L442 VanDerWaalsContact O-CG 3.28Å; I438-L442 WeakPolarHBondContact O-CG 3.3Å; I438-L442 PolarHBondContact O-N 3.03Å; I438-L457 HydrophobicContact CD1-CD1 4.14Å; I438-L457 HydrophobicContact CG1-CD1 4.23Å; I438-L457 HydrophobicContact CG2-CD1 3.67Å; I438-F460 HydrophobicContact CD1-CD1 3.78Å; I438-F460 HydrophobicContact CD1-CD2 4.11Å; I438-F460 HydrophobicContact CD1-CE1 3.59Å; I438-F460 HydrophobicContact CD1-CE2 3.92Å; I438-F460 HydrophobicContact CD1-CG 4.05Å; I438-F460 HydrophobicContact CD1-CZ 3.67Å
439T85.3Confident82.3Confident26 Ų2658.2 Ų58.216%0.1629%0.29CS..Hα-helixtrans-63.7-39.8-179.8530000112F435 N436 L442 S443 F540 L543F435-T439 HydrophobicContact CD1-CG2 4.1Å; F435-T439 HydrophobicContact CE1-CG2 3.83Å; F435-T439 HydrophobicContact CZ-CG2 4.26Å; F435-T439 WeakPolarHBondContact O-CG2 3.44Å; F435-T439 PolarHBondContact O-N 2.93Å; F435-T439 PolarHBondContact O-OG1 3.41Å; F435-T439 VanDerWaalsContact O-OG1 3.06Å; N436-T439 WeakPolarHBondContact CA-OG1 3.49Å; N436-T439 PolarHBondContact O-OG1 2.97Å; T439-L442 PolarHBondContact O-N 3.1Å; T439-S443 PolarHBondContact O-N 3.48Å; T439-F540 HydrophobicContact CG2-CB 3.61Å; T439-F540 HydrophobicContact CG2-CD2 4.48Å; T439-F540 HydrophobicContact CG2-CG 4.27Å; T439-F540 WeakPolarHBondContact O-CD2 3.33Å; T439-F540 VanDerWaalsContact O-CE2 3.25Å; T439-F540 WeakPolarHBondContact O-CE2 3.42Å; T439-L543 HydrophobicContact CG2-CD1 3.84Å
440S81.9Confident82.2Confident63 Ų6353 Ų5344%0.44127%0.272SS..Hα-helixtrans-58.6-48.7171.2179.30000111.8N436 S437 I438 L442 S443 F444N436-S440 VanDerWaalsContact O-CB 3.32Å; N436-S440 WeakPolarHBondContact O-CB 3.5Å; N436-S440 PolarHBondContact O-N 2.91Å; S437-S440 PolarHBondContact O-N 3.1Å; I438-S440 VanDerWaalsContact C-N 3.34Å; I438-S440 PolarHBondContact O-N 3.01Å; S440-L442 PolarHBondContact O-N 3.32Å; S440-S443 VanDerWaalsContact O-CB 3.25Å; S440-S443 WeakPolarHBondContact O-CB 3.49Å; S440-S443 PolarHBondContact O-N 2.64Å; S440-S443 VanDerWaalsContact O-N 3.14Å; S440-S443 PolarHBondContact O-OG 2.99Å; S440-F444 WeakPolarHBondContact O-CD2 3.39Å; S440-F444 WeakPolarHBondContact O-CE2 3.43Å
441R82.8Confident81.9Confident90 Ų9052.5 Ų52.534%0.3427%0.27SS..Hα-helixtrans-63.3-42.8177.7-73.9-179.8-69.4175.1-6.6113.1E434 S437 I438 S443 F444E434-R441 IonicContact OE2-NH2 3.83Å; S437-R441 WeakPolarHBondContact O-CG 3.33Å; S437-R441 PolarHBondContact O-N 2.63Å; S437-R441 PolarHBondContact O-NE 3.36Å; I438-R441 VanDerWaalsContact CG1-NH2 3.3Å; I438-R441 PolarHBondContact O-N 3.03Å; R441-S443 PolarHBondContact O-N 3.34Å; R441-F444 PolarHBondContact O-N 3.13Å
442L84.6Confident81.4Confident3 Ų357.4 Ų57.42%0.01629%0.291CS..Hα-helixtrans-62.2-27.8176.5-71.2173.7000111.7I438 T439 S440 F444 Q445 T453 V454 F540 L543I438-L442 HydrophobicContact CG2-CD1 3.76Å; I438-L442 HydrophobicContact CG2-CG 4.2Å; I438-L442 WeakPolarHBondContact O-CB 3.46Å; I438-L442 VanDerWaalsContact O-CG 3.28Å; I438-L442 WeakPolarHBondContact O-CG 3.3Å; I438-L442 PolarHBondContact O-N 3.03Å; T439-L442 PolarHBondContact O-N 3.1Å; S440-L442 PolarHBondContact O-N 3.32Å; L442-F444 PolarHBondContact O-N 3.5Å; L442-Q445 PolarHBondContact O-N 2.91Å; L442-Q445 VanDerWaalsContact O-N 3.08Å; L442-T453 HydrophobicContact CD2-CG2 3.86Å; L442-V454 HydrophobicContact CD1-CG2 3.77Å; L442-V454 HydrophobicContact CD2-CG2 4.16Å; L442-F540 VanDerWaalsContact C-CZ 3.41Å; L442-F540 HydrophobicContact CB-CD1 4.29Å; L442-F540 HydrophobicContact CB-CE1 3.71Å; L442-F540 HydrophobicContact CB-CE2 4.05Å; L442-F540 HydrophobicContact CB-CZ 3.57Å; L442-F540 HydrophobicContact CD1-CD1 4.36Å; L442-F540 HydrophobicContact CD1-CE1 4.43Å; L442-F540 WeakPolarHBondContact O-CZ 3.4Å; L442-L543 HydrophobicContact CD1-CD1 3.89Å
443S82.1Confident81.3Confident43 Ų4357.5 Ų57.530%0.30129%0.292SS..Hα-helixtrans-61.1-28.4178.183.90000113.3T439 S440 R441 K539T439-S443 PolarHBondContact O-N 3.48Å; S440-S443 VanDerWaalsContact O-CB 3.25Å; S440-S443 WeakPolarHBondContact O-CB 3.49Å; S440-S443 PolarHBondContact O-N 2.64Å; S440-S443 VanDerWaalsContact O-N 3.14Å; S440-S443 PolarHBondContact O-OG 2.99Å; R441-S443 PolarHBondContact O-N 3.34Å; S443-K539 PolarHBondContact O-NZ 3Å
444F81.4Confident81.3Confident173 Ų17351.9 Ų51.976%0.75927%0.266SS*.THydrogen-bonded Turntrans-93.1-5.9177.7-59.4-76.4000113.8S440 R441 L442S440-F444 WeakPolarHBondContact O-CD2 3.39Å; S440-F444 WeakPolarHBondContact O-CE2 3.43Å; R441-F444 PolarHBondContact O-N 3.13Å; L442-F444 PolarHBondContact O-N 3.5Å
445Q79.3Confident81Confident63 Ų6350.9 Ų50.929%0.29426%0.264SS..SBendtrans-86.1149.2179.3-71.1-168.3-5.200111.7L442 T453L442-Q445 PolarHBondContact O-N 2.91Å; L442-Q445 VanDerWaalsContact O-N 3.08Å; Q445-T453 PolarHBondContact OE1-OG1 3.39Å
446N76.5Confident80.4Confident106 Ų10651 Ų5157%0.56727%0.267SS*.  trans-68.2140.7169.5-172.611.4000109.5D448 T449 C450N446-D448 PolarHBondContact O-N 2.98Å; N446-D448 VanDerWaalsContact O-N 3.12Å; N446-T449 PolarHBondContact O-N 3.26Å; N446-T449 PolarHBondContact O-OG1 3.24Å; N446-C450 PolarHBondContact O-N 3.44Å; N446-C450 PolarHBondContact O-SG 2.83Å
447E70.3Confident80.4Confident107 Ų10748.5 Ų48.550%0.525%0.254SS..Hα-helixtrans-50.2-42.7-178.8-70.2-161.416400111.7T449 C450 R664E447-T449 PolarHBondContact O-N 3.3Å; E447-C450 WeakPolarHBondContact O-CB 3.34Å; E447-C450 PolarHBondContact O-N 2.84Å; E447-C450 VanDerWaalsContact O-N 3.1Å; E447-R664 PolarHBondContact O-NH1 3.41Å
448D69.3Low80.3Confident50 Ų5048.2 Ų48.227%0.26725%0.247SC..Hα-helixtrans-55.9-33178.8-81.5-34.7000114.8N446 S661N446-D448 PolarHBondContact O-N 2.98Å; N446-D448 VanDerWaalsContact O-N 3.12Å; D448-S661 WeakPolarHBondContact OD1-CB 3.45Å; D448-S661 PolarHBondContact OD1-N 2.93Å; D448-S661 PolarHBondContact OD1-OG 2.92Å; D448-S661 VanDerWaalsContact OD1-OG 3.1Å
449T76.1Confident80.2Confident68 Ų6849.6 Ų49.642%0.41725%0.254SS..Hα-helixtrans-92.3-19.9-179.950.60000113.1N446 E447 W451 K452 T453N446-T449 PolarHBondContact O-N 3.26Å; N446-T449 PolarHBondContact O-OG1 3.24Å; E447-T449 PolarHBondContact O-N 3.3Å; T449-W451 PolarHBondContact O-N 2.86Å; T449-K452 WeakPolarHBondContact O-CB 3.47Å; T449-K452 PolarHBondContact O-N 2.64Å; T449-T453 PolarHBondContact O-N 2.87Å; T449-T453 PolarHBondContact O-OG1 2.92Å
450C82.1Confident80.3Confident7 Ų748.4 Ų48.45%0.04725%0.247CC..Hα-helixtrans-58.3-48.5-175.3-71.10000112.5N446 E447 K452 T453 V454 L593N446-C450 PolarHBondContact O-N 3.44Å; N446-C450 PolarHBondContact O-SG 2.83Å; E447-C450 WeakPolarHBondContact O-CB 3.34Å; E447-C450 PolarHBondContact O-N 2.84Å; E447-C450 VanDerWaalsContact O-N 3.1Å; C450-K452 VanDerWaalsContact C-N 3.29Å; C450-K452 PolarHBondContact O-N 3.48Å; C450-T453 WeakPolarHBondContact O-CB 3.4Å; C450-T453 PolarHBondContact O-N 3.23Å; C450-T453 VanDerWaalsContact O-N 3.15Å; C450-V454 WeakPolarHBondContact O-CB 3.11Å; C450-V454 VanDerWaalsContact O-CG2 3.3Å; C450-V454 WeakPolarHBondContact O-CG2 3.32Å; C450-V454 PolarHBondContact O-N 2.66Å; C450-L593 HydrophobicContact CB-CD2 4.44Å
451W80.9Confident80.7Confident12 Ų1245.4 Ų45.45%0.04523%0.226CC..Hα-helixtrans-62.4-36.9179.7-179.4-114.7000112.5T449 T453 V454 S455 L593 E596 L671T449-W451 PolarHBondContact O-N 2.86Å; W451-T453 VanDerWaalsContact C-N 3.34Å; W451-T453 PolarHBondContact O-N 2.9Å; W451-V454 HydrophobicContact CE3-CG1 4.29Å; W451-V454 HydrophobicContact CZ3-CG1 4.23Å; W451-V454 PolarHBondContact O-N 3.35Å; W451-S455 VanDerWaalsContact O-CB 3.25Å; W451-S455 WeakPolarHBondContact O-CB 3.36Å; W451-S455 PolarHBondContact O-N 3.48Å; W451-S455 PolarHBondContact O-OG 3.05Å; W451-L593 HydrophobicContact CE3-CD1 3.78Å; W451-L593 HydrophobicContact CZ3-CD1 4.43Å; W451-E596 WeakPolarHBondContact CB-OE2 3.28Å; W451-E596 HydrophobicContact CD2-CB 4.03Å; W451-E596 HydrophobicContact CD2-CG 4.34Å; W451-E596 HydrophobicContact CE3-CB 3.61Å; W451-E596 HydrophobicContact CE3-CG 4.35Å; W451-E596 HydrophobicContact CH2-CB 4.04Å; W451-E596 HydrophobicContact CZ2-CB 4.42Å; W451-E596 HydrophobicContact CZ3-CB 3.62Å; W451-L671 HydrophobicContact CH2-CD1 4.37Å; W451-L671 HydrophobicContact CZ2-CD1 3.79Å
452K80.2Confident81Confident103 Ų10341.1 Ų41.145%0.44821%0.21SC..Hα-helixtrans-64-41.5176.1-175.5-177.6172.9-173.90111.1T449 C450 S455 G456T449-K452 WeakPolarHBondContact O-CB 3.47Å; T449-K452 PolarHBondContact O-N 2.64Å; C450-K452 VanDerWaalsContact C-N 3.29Å; C450-K452 PolarHBondContact O-N 3.48Å; K452-S455 WeakPolarHBondContact CA-OG 3.37Å; K452-S455 PolarHBondContact O-OG 3.38Å; K452-S455 VanDerWaalsContact O-OG 3.11Å; K452-G456 PolarHBondContact O-N 2.85Å; K452-G456 VanDerWaalsContact O-N 3.1Å
453T83.5Confident81.3Confident17 Ų1741 Ų4110%0.10421%0.209CC..Hα-helixtrans-64.3-50.4174.6-55.70000110.8I278 L442 Q445 T449 C450 W451 G456 L457I278-T453 HydrophobicContact CD1-CG2 3.99Å; I278-T453 HydrophobicContact CG1-CG2 4.29Å; L442-T453 HydrophobicContact CD2-CG2 3.86Å; Q445-T453 PolarHBondContact OE1-OG1 3.39Å; T449-T453 PolarHBondContact O-N 2.87Å; T449-T453 PolarHBondContact O-OG1 2.92Å; C450-T453 WeakPolarHBondContact O-CB 3.4Å; C450-T453 PolarHBondContact O-N 3.23Å; C450-T453 VanDerWaalsContact O-N 3.15Å; W451-T453 VanDerWaalsContact C-N 3.34Å; W451-T453 PolarHBondContact O-N 2.9Å; T453-G456 WeakPolarHBondContact O-CA 3.43Å; T453-G456 PolarHBondContact O-N 3.19Å; T453-G456 VanDerWaalsContact O-N 3.11Å; T453-L457 HydrophobicContact CG2-CD1 4.43Å; T453-L457 WeakPolarHBondContact O-CG 3.44Å; T453-L457 PolarHBondContact O-N 2.91Å
454V85Confident81.8Confident0 Ų039 Ų390%020%0.195CC..Hα-helixtrans-62.2-48-178.4169.90000111.7L442 C450 W451 G456 L457 F461 L543 L546 L593L442-V454 HydrophobicContact CD1-CG2 3.77Å; L442-V454 HydrophobicContact CD2-CG2 4.16Å; C450-V454 WeakPolarHBondContact O-CB 3.11Å; C450-V454 VanDerWaalsContact O-CG2 3.3Å; C450-V454 WeakPolarHBondContact O-CG2 3.32Å; C450-V454 PolarHBondContact O-N 2.66Å; W451-V454 HydrophobicContact CE3-CG1 4.29Å; W451-V454 HydrophobicContact CZ3-CG1 4.23Å; W451-V454 PolarHBondContact O-N 3.35Å; V454-G456 PolarHBondContact O-N 3.34Å; V454-L457 WeakPolarHBondContact O-CB 3.45Å; V454-L457 PolarHBondContact O-N 2.87Å; V454-F461 HydrophobicContact CG1-CE2 3.96Å; V454-F461 HydrophobicContact CG1-CZ 4.22Å; V454-L543 HydrophobicContact CG1-CD2 3.83Å; V454-L543 HydrophobicContact CG2-CD2 3.86Å; V454-L546 HydrophobicContact CG1-CD1 3.31Å; V454-L593 HydrophobicContact CB-CD1 4.47Å; V454-L593 HydrophobicContact CG2-CD1 4.19Å
455S78.6Confident82.2Confident24 Ų2430.7 Ų30.717%0.16816%0.159CC..Hα-helixtrans-60.7-32.9174.355.80000112.3W451 K452 L457 K458W451-S455 VanDerWaalsContact O-CB 3.25Å; W451-S455 WeakPolarHBondContact O-CB 3.36Å; W451-S455 PolarHBondContact O-N 3.48Å; W451-S455 PolarHBondContact O-OG 3.05Å; K452-S455 WeakPolarHBondContact CA-OG 3.37Å; K452-S455 PolarHBondContact O-OG 3.38Å; K452-S455 VanDerWaalsContact O-OG 3.11Å; S455-L457 PolarHBondContact O-N 3.21Å; S455-K458 PolarHBondContact O-N 3.42Å
456G75.8Confident82.7Confident9 Ų927.8 Ų27.89%0.09315%0.146CC..Hα-helixtrans-68-17.5172.800000114.8K452 T453 V454K452-G456 PolarHBondContact O-N 2.85Å; K452-G456 VanDerWaalsContact O-N 3.1Å; T453-G456 WeakPolarHBondContact O-CA 3.43Å; T453-G456 PolarHBondContact O-N 3.19Å; T453-G456 VanDerWaalsContact O-N 3.11Å; V454-G456 PolarHBondContact O-N 3.34Å
457L84Confident83.3Confident9 Ų922.8 Ų22.85%0.04712%0.119CC..THydrogen-bonded Turntrans-94.816.1178.8-65.9171.6000113.2L276 I438 T453 V454 S455 N459 F460 F461L276-L457 HydrophobicContact CB-CD2 3.88Å; L276-L457 HydrophobicContact CD1-CD2 4.16Å; L276-L457 HydrophobicContact CD2-CD2 3.99Å; L276-L457 HydrophobicContact CG-CD2 4.24Å; I438-L457 HydrophobicContact CD1-CD1 4.14Å; I438-L457 HydrophobicContact CG1-CD1 4.23Å; I438-L457 HydrophobicContact CG2-CD1 3.67Å; T453-L457 HydrophobicContact CG2-CD1 4.43Å; T453-L457 WeakPolarHBondContact O-CG 3.44Å; T453-L457 PolarHBondContact O-N 2.91Å; V454-L457 WeakPolarHBondContact O-CB 3.45Å; V454-L457 PolarHBondContact O-N 2.87Å; S455-L457 PolarHBondContact O-N 3.21Å; L457-N459 PolarHBondContact O-N 3.44Å; L457-N459 VanDerWaalsContact O-N 3.11Å; L457-F460 HydrophobicContact CB-CB 4.41Å; L457-F460 WeakPolarHBondContact O-CA 3.38Å; L457-F460 WeakPolarHBondContact O-CB 3.43Å; L457-F460 PolarHBondContact O-N 2.98Å; L457-F461 HydrophobicContact CB-CD2 4.22Å; L457-F461 HydrophobicContact CB-CE2 3.77Å; L457-F461 VanDerWaalsContact O-CD2 3.26Å; L457-F461 WeakPolarHBondContact O-CD2 3.29Å; L457-F461 PolarHBondContact O-N 2.85Å
458K81.7Confident84Confident37 Ų3717.8 Ų17.816%0.16110%0.095CC..Hα-helixtrans-45.6-43.8177.1-175.6-170.2171.2-1630113.7E303 W305 S455 F460 F461 S462 W550E303-K458 IonicContact OE1-NZ 3.5Å; E303-K458 PolarHBondContact OE1-NZ 2.98Å; E303-K458 IonicContact OE2-NZ 3.68Å; E303-K458 PolarHBondContact OE2-NZ 3.43Å; W305-K458 HydrophobicContact CB-CD 4.31Å; W305-K458 HydrophobicContact CD2-CB 4.36Å; W305-K458 HydrophobicContact CD2-CD 4.38Å; W305-K458 HydrophobicContact CD2-CG 4.02Å; W305-K458 HydrophobicContact CE3-CB 3.7Å; W305-K458 HydrophobicContact CE3-CD 4.44Å; W305-K458 HydrophobicContact CE3-CG 3.88Å; W305-K458 HydrophobicContact CG-CD 4.34Å; W305-K458 HydrophobicContact CG-CG 4.47Å; W305-K458 HydrophobicContact CZ3-CB 3.78Å; W305-K458 HydrophobicContact CZ3-CG 4.2Å; S455-K458 PolarHBondContact O-N 3.42Å; K458-F460 VanDerWaalsContact C-N 3.29Å; K458-F460 PolarHBondContact O-N 3.27Å; K458-F461 PolarHBondContact O-N 2.9Å; K458-S462 WeakPolarHBondContact O-CB 3.43Å; K458-S462 PolarHBondContact O-N 3.25Å; K458-S462 PolarHBondContact O-OG 2.99Å; K458-W550 HydrophobicContact CD-CZ2 4.11Å; K458-W550 HydrophobicContact CG-CZ2 3.65Å
459N83Confident84.6Confident31 Ų3115.8 Ų15.817%0.1669%0.085CC..Hα-helixtrans-66.4-30.8179.8-78.2-23000113.2F395 R399 L457 S462 L463F395-N459 HydrophobicContact CD2-CB 4.34Å; R399-N459 PolarHBondContact NH1-OD1 2.91Å; L457-N459 PolarHBondContact O-N 3.44Å; L457-N459 VanDerWaalsContact O-N 3.11Å; N459-S462 VanDerWaalsContact CA-OG 3.31Å; N459-S462 WeakPolarHBondContact CA-OG 3.38Å; N459-S462 PolarHBondContact O-OG 3.39Å; N459-S462 VanDerWaalsContact O-OG 3.05Å; N459-L463 VanDerWaalsContact O-CB 3.31Å; N459-L463 WeakPolarHBondContact O-CB 3.49Å; N459-L463 PolarHBondContact O-N 3.39Å; N459-L463 VanDerWaalsContact O-N 3.14Å
460F88.4Confident84.7Confident2 Ų213.1 Ų13.11%0.0097%0.068CC..Hα-helixtrans-71.2-49.7175.3169.2-91.6000111L276 F395 L431 E434 F435 I438 L457 K458 S462 L463 F464L276-F460 HydrophobicContact CD2-CB 4.33Å; F395-F460 HydrophobicContact CE2-CB 4.25Å; F395-F460 HydrophobicContact CE2-CD2 4.45Å; L431-F460 HydrophobicContact CB-CE2 4.42Å; L431-F460 HydrophobicContact CD2-CD2 3.92Å; L431-F460 HydrophobicContact CD2-CE2 3.63Å; E434-F460 HydrophobicContact CB-CE2 3.9Å; E434-F460 HydrophobicContact CB-CZ 4.44Å; F435-F460 HydrophobicContact CB-CE1 4.45Å; F435-F460 HydrophobicContact CB-CZ 3.99Å; F435-F460 AromaticContact CD2-CE1 3.97Å; F435-F460 HydrophobicContact CD2-CE1 3.97Å; F435-F460 HydrophobicContact CD2-CZ 4.33Å; I438-F460 HydrophobicContact CD1-CD1 3.78Å; I438-F460 HydrophobicContact CD1-CD2 4.11Å; I438-F460 HydrophobicContact CD1-CE1 3.59Å; I438-F460 HydrophobicContact CD1-CE2 3.92Å; I438-F460 HydrophobicContact CD1-CG 4.05Å; I438-F460 HydrophobicContact CD1-CZ 3.67Å; L457-F460 HydrophobicContact CB-CB 4.41Å; L457-F460 WeakPolarHBondContact O-CA 3.38Å; L457-F460 WeakPolarHBondContact O-CB 3.43Å; L457-F460 PolarHBondContact O-N 2.98Å; K458-F460 VanDerWaalsContact C-N 3.29Å; K458-F460 PolarHBondContact O-N 3.27Å; F460-S462 VanDerWaalsContact C-N 3.34Å; F460-S462 PolarHBondContact O-N 3.05Å; F460-L463 PolarHBondContact O-N 3.07Å; F460-F464 HydrophobicContact CE1-CD1 4.08Å; F460-F464 AromaticContact CZ-CD1 3.98Å; F460-F464 HydrophobicContact CZ-CD1 3.98Å; F460-F464 WeakPolarHBondContact O-CB 3.45Å; F460-F464 PolarHBondContact O-N 3.42Å
461F89.6Confident84.4Confident0 Ų013.1 Ų13.10%07%0.067CC..Hα-helixtrans-62.4-40.6-179.7-64.6-64.5000112.7W305 F435 V454 L457 K458 F464 A465 L543 L546 I547W305-F461 AromaticContact CH2-CD2 3.68Å; W305-F461 HydrophobicContact CH2-CD2 3.68Å; W305-F461 HydrophobicContact CH2-CE2 4.31Å; W305-F461 HydrophobicContact CH2-CG 4.41Å; W305-F461 HydrophobicContact CZ3-CD2 4.19Å; F435-F461 HydrophobicContact CE2-CE1 4.23Å; V454-F461 HydrophobicContact CG1-CE2 3.96Å; V454-F461 HydrophobicContact CG1-CZ 4.22Å; L457-F461 HydrophobicContact CB-CD2 4.22Å; L457-F461 HydrophobicContact CB-CE2 3.77Å; L457-F461 VanDerWaalsContact O-CD2 3.26Å; L457-F461 WeakPolarHBondContact O-CD2 3.29Å; L457-F461 PolarHBondContact O-N 2.85Å; K458-F461 PolarHBondContact O-N 2.9Å; F461-F464 PolarHBondContact O-N 2.97Å; F461-A465 WeakPolarHBondContact O-CB 3.43Å; F461-A465 PolarHBondContact O-N 3.28Å; F461-L543 HydrophobicContact CE1-CB 4.18Å; F461-L543 HydrophobicContact CZ-CB 4.49Å; F461-L543 HydrophobicContact CZ-CD1 4.47Å; F461-L543 HydrophobicContact CZ-CD2 4.24Å; F461-L546 HydrophobicContact CB-CB 4.44Å; F461-L546 HydrophobicContact CD1-CB 4.16Å; F461-L546 HydrophobicContact CD2-CB 4.33Å; F461-L546 HydrophobicContact CD2-CD1 4.03Å; F461-L546 HydrophobicContact CE1-CD1 4.28Å; F461-L546 HydrophobicContact CE2-CD1 3.65Å; F461-L546 HydrophobicContact CG-CB 4.06Å; F461-L546 HydrophobicContact CG-CD1 4.48Å; F461-L546 HydrophobicContact CZ-CD1 3.8Å; F461-I547 HydrophobicContact CD1-CG1 3.98Å
462S88.5Confident83.8Confident0 Ų013.4 Ų13.40%07%0.069CC..Hα-helixtrans-66.6-41.3176.250.30000113R399 K458 N459 F460 A466 F554R399-S462 PolarHBondContact NH1-OG 3.48Å; K458-S462 WeakPolarHBondContact O-CB 3.43Å; K458-S462 PolarHBondContact O-N 3.25Å; K458-S462 PolarHBondContact O-OG 2.99Å; N459-S462 VanDerWaalsContact CA-OG 3.31Å; N459-S462 WeakPolarHBondContact CA-OG 3.38Å; N459-S462 PolarHBondContact O-OG 3.39Å; N459-S462 VanDerWaalsContact O-OG 3.05Å; F460-S462 VanDerWaalsContact C-N 3.34Å; F460-S462 PolarHBondContact O-N 3.05Å; S462-A466 WeakPolarHBondContact O-CB 3.33Å; S462-A466 PolarHBondContact O-N 3.45Å; S462-F554 WeakPolarHBondContact O-CE2 3.5Å; S462-F554 WeakPolarHBondContact O-CZ 3.44Å
463L90.9Very high83.1Confident0 Ų010.4 Ų10.40%06%0.057CC..Hα-helixtrans-63.5-44.4173.5174.863.4000111F395 W398 R399 F402 L427 L431 N459 F460 A465 A466 V467F395-L463 HydrophobicContact CB-CD2 4.25Å; F395-L463 HydrophobicContact CD1-CD2 3.73Å; F395-L463 HydrophobicContact CD2-CD2 4.06Å; F395-L463 HydrophobicContact CE1-CD2 3.98Å; F395-L463 HydrophobicContact CE2-CD2 4.31Å; F395-L463 HydrophobicContact CG-CD2 3.76Å; F395-L463 HydrophobicContact CZ-CD2 4.27Å; W398-L463 HydrophobicContact CB-CD1 3.69Å; W398-L463 HydrophobicContact CE3-CD2 3.85Å; W398-L463 HydrophobicContact CZ3-CD2 4.49Å; R399-L463 HydrophobicContact CB-CD1 4.15Å; F402-L463 HydrophobicContact CD2-CD1 4.27Å; L427-L463 HydrophobicContact CD2-CD1 4.34Å; L431-L463 HydrophobicContact CD1-CD2 4.28Å; L431-L463 HydrophobicContact CD1-CG 4.05Å; L431-L463 HydrophobicContact CD2-CD2 4.1Å; N459-L463 VanDerWaalsContact O-CB 3.31Å; N459-L463 WeakPolarHBondContact O-CB 3.49Å; N459-L463 PolarHBondContact O-N 3.39Å; N459-L463 VanDerWaalsContact O-N 3.14Å; F460-L463 PolarHBondContact O-N 3.07Å; L463-A465 PolarHBondContact O-N 2.84Å; L463-A466 PolarHBondContact O-N 2.86Å; L463-V467 HydrophobicContact CD1-CG2 4.23Å; L463-V467 WeakPolarHBondContact O-CG2 3.44Å; L463-V467 PolarHBondContact O-N 3.14Å
464F92.5Very high81.8Confident0 Ų010.9 Ų10.90%06%0.058CC..Hα-helixtrans-61.7-46.4179.6-163175.4000111.1H428 L431 L432 F435 F460 F461 A466 V467 L468 W544 I547H428-F464 AromaticContact CD2-CE2 3.7Å; H428-F464 AromaticContact NE2-CE2 3.84Å; L431-F464 HydrophobicContact CB-CD1 4.47Å; L431-F464 HydrophobicContact CB-CD2 4.19Å; L431-F464 HydrophobicContact CB-CE2 4.45Å; L431-F464 HydrophobicContact CB-CG 4.24Å; L431-F464 HydrophobicContact CD1-CB 4.26Å; L431-F464 HydrophobicContact CD1-CD2 4.33Å; L431-F464 HydrophobicContact CD1-CG 4.43Å; L432-F464 HydrophobicContact CD1-CZ 3.88Å; F435-F464 HydrophobicContact CB-CE1 3.95Å; F435-F464 HydrophobicContact CD2-CD1 4.22Å; F435-F464 AromaticContact CD2-CE1 3.89Å; F435-F464 HydrophobicContact CD2-CE1 3.89Å; F435-F464 HydrophobicContact CG-CE1 4.08Å; F460-F464 HydrophobicContact CE1-CD1 4.08Å; F460-F464 AromaticContact CZ-CD1 3.98Å; F460-F464 HydrophobicContact CZ-CD1 3.98Å; F460-F464 WeakPolarHBondContact O-CB 3.45Å; F460-F464 PolarHBondContact O-N 3.42Å; F461-F464 PolarHBondContact O-N 2.97Å; F464-A466 VanDerWaalsContact C-N 3.34Å; F464-A466 PolarHBondContact O-N 3.07Å; F464-V467 PolarHBondContact O-N 2.79Å; F464-L468 HydrophobicContact CD2-CD1 3.67Å; F464-L468 HydrophobicContact CD2-CD2 4.38Å; F464-L468 HydrophobicContact CD2-CG 3.71Å; F464-L468 HydrophobicContact CE2-CD1 3.7Å; F464-L468 HydrophobicContact CE2-CD2 3.88Å; F464-L468 HydrophobicContact CE2-CG 3.71Å; F464-L468 HydrophobicContact CG-CD1 4.36Å; F464-L468 HydrophobicContact CZ-CD1 4.44Å; F464-L468 WeakPolarHBondContact O-CB 3.32Å; F464-L468 VanDerWaalsContact O-CG 3.29Å; F464-L468 WeakPolarHBondContact O-CG 3.47Å; F464-L468 PolarHBondContact O-N 3.45Å; F464-W544 AromaticContact CE1-CH2 3.98Å; F464-W544 HydrophobicContact CE1-CH2 3.98Å; F464-W544 HydrophobicContact CE1-CZ2 4.48Å; F464-W544 HydrophobicContact CE2-CH2 4.45Å; F464-W544 AromaticContact CZ-CH2 3.69Å; F464-W544 HydrophobicContact CZ-CH2 3.69Å; F464-W544 HydrophobicContact CZ-CZ2 4.43Å; F464-W544 HydrophobicContact CZ-CZ3 4.43Å; F464-I547 HydrophobicContact CD1-CD1 3.54Å; F464-I547 HydrophobicContact CD1-CG1 4.46Å; F464-I547 HydrophobicContact CE1-CD1 3.81Å; F464-I547 HydrophobicContact CG-CD1 4.12Å
465A90.7Very high80.2Confident0 Ų011.7 Ų11.70%06%0.062CC..Hα-helixtrans-57.8-42.917300000112.8F461 L463 V467 L468 V469 I547 W550 V551 F554F461-A465 WeakPolarHBondContact O-CB 3.43Å; F461-A465 PolarHBondContact O-N 3.28Å; L463-A465 PolarHBondContact O-N 2.84Å; A465-V467 PolarHBondContact O-N 3.33Å; A465-L468 PolarHBondContact O-N 3.19Å; A465-V469 VanDerWaalsContact O-CG2 3.29Å; A465-V469 WeakPolarHBondContact O-CG2 3.33Å; A465-V469 PolarHBondContact O-N 2.84Å; A465-I547 HydrophobicContact CB-CG2 4.1Å; A465-W550 HydrophobicContact CB-CB 3.36Å; A465-W550 HydrophobicContact CB-CG 4.49Å; A465-V551 HydrophobicContact CB-CG2 3.82Å; A465-F554 HydrophobicContact CB-CD2 4.2Å; A465-F554 HydrophobicContact CB-CE2 3.79Å
466A88.9Confident78.8Confident2 Ų212.5 Ų12.52%0.0176%0.064CC..Hα-helixtrans-63-41.5178.100000112.6R399 F402 V403 S462 L463 F464 M470 F554R399-A466 HydrophobicContact CG-CB 4.02Å; F402-A466 HydrophobicContact CB-CB 4.02Å; V403-A466 HydrophobicContact CG2-CB 4.08Å; S462-A466 WeakPolarHBondContact O-CB 3.33Å; S462-A466 PolarHBondContact O-N 3.45Å; L463-A466 PolarHBondContact O-N 2.86Å; F464-A466 VanDerWaalsContact C-N 3.34Å; F464-A466 PolarHBondContact O-N 3.07Å; A466-M470 PolarHBondContact O-N 3.05Å; A466-F554 HydrophobicContact CB-CD2 4.4Å; A466-F554 HydrophobicContact CB-CE2 3.86Å; A466-F554 HydrophobicContact CB-CZ 4.12Å
467V88.8Confident77.5Confident0 Ų015 Ų150%08%0.08CC..Hα-helixtrans-66.4-42.3175.8174.60000111.2F402 L427 H428 L431 L463 F464 A465 M470 E471F402-V467 HydrophobicContact CD2-CG2 3.68Å; F402-V467 HydrophobicContact CE2-CG2 3.69Å; F402-V467 HydrophobicContact CG-CG2 4.17Å; F402-V467 HydrophobicContact CZ-CG2 4.12Å; L427-V467 HydrophobicContact CD2-CG2 3.7Å; L427-V467 HydrophobicContact CG-CG2 4.22Å; H428-V467 HydrophobicContact CB-CG1 3.79Å; L431-V467 HydrophobicContact CD1-CB 4.38Å; L431-V467 HydrophobicContact CD1-CG2 4Å; L463-V467 HydrophobicContact CD1-CG2 4.23Å; L463-V467 WeakPolarHBondContact O-CG2 3.44Å; L463-V467 PolarHBondContact O-N 3.14Å; F464-V467 PolarHBondContact O-N 2.79Å; A465-V467 PolarHBondContact O-N 3.33Å; V467-M470 PolarHBondContact O-N 2.69Å; V467-E471 HydrophobicContact CG1-CG 4.37Å; V467-E471 PolarHBondContact O-N 3.38Å
468L85.8Confident75.6Confident2 Ų218.7 Ų18.71%0.0110%0.1CC..Hα-helixtrans-63-45.6179.1-76169.2000112.3F464 A465 M470 E471 Y472 F489 W544 I547F464-L468 HydrophobicContact CD2-CD1 3.67Å; F464-L468 HydrophobicContact CD2-CD2 4.38Å; F464-L468 HydrophobicContact CD2-CG 3.71Å; F464-L468 HydrophobicContact CE2-CD1 3.7Å; F464-L468 HydrophobicContact CE2-CD2 3.88Å; F464-L468 HydrophobicContact CE2-CG 3.71Å; F464-L468 HydrophobicContact CG-CD1 4.36Å; F464-L468 HydrophobicContact CZ-CD1 4.44Å; F464-L468 WeakPolarHBondContact O-CB 3.32Å; F464-L468 VanDerWaalsContact O-CG 3.29Å; F464-L468 WeakPolarHBondContact O-CG 3.47Å; F464-L468 PolarHBondContact O-N 3.45Å; A465-L468 PolarHBondContact O-N 3.19Å; L468-M470 VanDerWaalsContact C-N 3.28Å; L468-M470 PolarHBondContact O-N 3.03Å; L468-E471 PolarHBondContact O-N 3.17Å; L468-Y472 VanDerWaalsContact O-CB 3.26Å; L468-Y472 WeakPolarHBondContact O-CB 3.33Å; L468-Y472 PolarHBondContact O-N 2.73Å; L468-F489 HydrophobicContact CD2-CE1 3.55Å; L468-F489 HydrophobicContact CD2-CZ 3.9Å; L468-W544 HydrophobicContact CD1-CH2 4.49Å; L468-W544 HydrophobicContact CD1-CZ3 3.86Å; L468-I547 HydrophobicContact CD1-CG2 3.48Å; L468-I547 VanDerWaalsContact CD1-CG2 3.48Å
469V81.7Confident73.6Confident9 Ų923.8 Ų23.86%0.05512%0.124CC..Hα-helixtrans-58.1-44.7177168.60000110.5Y406 A465 D473 V551Y406-V469 HydrophobicContact CD1-CG1 3.6Å; Y406-V469 HydrophobicContact CD2-CG1 3.29Å; Y406-V469 HydrophobicContact CE1-CG1 3.65Å; Y406-V469 HydrophobicContact CE2-CG1 3.34Å; Y406-V469 HydrophobicContact CG-CG1 3.41Å; Y406-V469 VanDerWaalsContact CG-CG1 3.41Å; A465-V469 VanDerWaalsContact O-CG2 3.29Å; A465-V469 WeakPolarHBondContact O-CG2 3.33Å; A465-V469 PolarHBondContact O-N 2.84Å; V469-D473 WeakPolarHBondContact O-CB 3.3Å; V469-D473 PolarHBondContact O-N 3.33Å; V469-V551 HydrophobicContact CG2-CB 4.21Å; V469-V551 HydrophobicContact CG2-CG1 3.77Å; V469-V551 HydrophobicContact CG2-CG2 3.93Å
470M79.2Confident71.8Confident12 Ų1229.5 Ų29.56%0.05916%0.155CC..Hα-helixtrans-66.8-45.2178.5-172-122.159.900112.5F402 C405 S424 A466 V467 L468 K474F402-M470 HydrophobicContact CD1-CB 4.27Å; F402-M470 HydrophobicContact CD1-CG 4.16Å; F402-M470 HydrophobicContact CD1-SD 3.56Å; F402-M470 VanDerWaalsContact CD1-SD 3.56Å; F402-M470 HydrophobicContact CE1-SD 3.71Å; C405-M470 HydrophobicContact CB-CG 4.45Å; S424-M470 VanDerWaalsContact CB-CE 3.43Å; A466-M470 PolarHBondContact O-N 3.05Å; V467-M470 PolarHBondContact O-N 2.69Å; L468-M470 VanDerWaalsContact C-N 3.28Å; L468-M470 PolarHBondContact O-N 3.03Å; M470-K474 WeakPolarHBondContact O-CB 3.41Å; M470-K474 PolarHBondContact O-N 3.08Å; M470-K474 VanDerWaalsContact O-N 3.08Å
471E74.2Confident69.5Low7 Ų733.5 Ų33.53%0.03318%0.176CC..Hα-helixtrans-71.1-32.9-179.2-77.6-64.9155.100112.5S424 S425 V467 L468 K474 N475 F489S424-E471 VanDerWaalsContact C-OE1 3.28Å; S424-E471 WeakPolarHBondContact CB-OE1 3.27Å; S424-E471 PolarHBondContact OG-OE1 3.42Å; S425-E471 PolarHBondContact N-OE1 3.1Å; S425-E471 VanDerWaalsContact N-OE1 3.14Å; V467-E471 HydrophobicContact CG1-CG 4.37Å; V467-E471 PolarHBondContact O-N 3.38Å; L468-E471 PolarHBondContact O-N 3.17Å; E471-K474 WeakPolarHBondContact O-CB 3.4Å; E471-K474 PolarHBondContact O-N 3.26Å; E471-K474 IonicContact OE1-NZ 3.23Å; E471-K474 IonicContact OE2-NZ 2.75Å; E471-K474 PolarHBondContact OE2-NZ 2.82Å; E471-N475 PolarHBondContact O-N 3.26Å; E471-N475 PolarHBondContact O-ND2 3.31Å; E471-N475 VanDerWaalsContact O-ND2 3.15Å; E471-F489 HydrophobicContact CB-CD2 4.49Å; E471-F489 HydrophobicContact CB-CE1 4.32Å; E471-F489 HydrophobicContact CB-CE2 3.4Å; E471-F489 HydrophobicContact CB-CZ 3.3Å; E471-F489 HydrophobicContact CG-CE2 3.7Å; E471-F489 HydrophobicContact CG-CZ 3.87Å
472Y69.3Low67.2Low18 Ų1836.3 Ų36.37%0.07119%0.189CC..Hα-helixtrans-66.1-47175.5-179.7-96.4000111.2L468 K474 N475 L476 S522 L525 L526L468-Y472 VanDerWaalsContact O-CB 3.26Å; L468-Y472 WeakPolarHBondContact O-CB 3.33Å; L468-Y472 PolarHBondContact O-N 2.73Å; Y472-K474 PolarHBondContact O-N 3.24Å; Y472-N475 PolarHBondContact O-N 2.98Å; Y472-N475 VanDerWaalsContact O-N 3.1Å; Y472-L476 HydrophobicContact CD1-CD1 3.87Å; Y472-L476 HydrophobicContact CE1-CD1 3.23Å; Y472-L476 PolarHBondContact O-N 2.97Å; Y472-S522 PolarHBondContact OH-O 3.36Å; Y472-L525 WeakPolarHBondContact OH-CB 3.42Å; Y472-L526 HydrophobicContact CD1-CB 4.08Å; Y472-L526 HydrophobicContact CD1-CD1 3.83Å; Y472-L526 HydrophobicContact CD1-CG 4.42Å; Y472-L526 HydrophobicContact CD2-CB 4.06Å; Y472-L526 HydrophobicContact CD2-CD1 3.52Å; Y472-L526 HydrophobicContact CD2-CG 4.42Å; Y472-L526 HydrophobicContact CE1-CB 3.74Å; Y472-L526 HydrophobicContact CE1-CD1 4.36Å; Y472-L526 HydrophobicContact CE2-CB 3.71Å; Y472-L526 HydrophobicContact CE2-CD1 4.09Å; Y472-L526 HydrophobicContact CG-CB 4.24Å; Y472-L526 HydrophobicContact CG-CD1 3.38Å; Y472-L526 HydrophobicContact CG-CG 4.36Å; Y472-L526 PolarHBondContact OH-N 2.87Å; Y472-L526 VanDerWaalsContact OH-N 3.15Å
473D64.1Low64.9Low39 Ų3940.1 Ų40.121%0.20922%0.215CC..Hα-helixtrans-63.7-32.6177.5-169.152.4000112.1Y406 R409 V469 N475 L476Y406-D473 HydrophobicContact CD2-CB 4.41Å; Y406-D473 HydrophobicContact CE2-CB 4.44Å; R409-D473 WeakPolarHBondContact CD-OD2 3.29Å; R409-D473 WeakPolarHBondContact CG-OD2 3.29Å; R409-D473 IonicContact CZ-OD2 3.95Å; R409-D473 IonicContact NE-OD2 2.8Å; R409-D473 PolarHBondContact NE-OD2 3.43Å; R409-D473 PolarHBondContact NH2-O 3.09Å; V469-D473 WeakPolarHBondContact O-CB 3.3Å; V469-D473 PolarHBondContact O-N 3.33Å; D473-N475 PolarHBondContact O-N 2.9Å; D473-L476 WeakPolarHBondContact O-CB 3.24Å; D473-L476 PolarHBondContact O-N 3.06Å
474K58.1Low62.5Low28 Ų2846.7 Ų46.712%0.12225%0.246CC..Hα-helixtrans-57.6-43.1170.2-178.1176.3155.7-158.20113.6R409 H421 M470 E471 Y472 L476 S477R409-K474 VanDerWaalsContact NH2-CA 3.27Å; H421-K474 WeakPolarHBondContact ND1-CE 3.36Å; M470-K474 WeakPolarHBondContact O-CB 3.41Å; M470-K474 PolarHBondContact O-N 3.08Å; M470-K474 VanDerWaalsContact O-N 3.08Å; E471-K474 WeakPolarHBondContact O-CB 3.4Å; E471-K474 PolarHBondContact O-N 3.26Å; E471-K474 IonicContact OE1-NZ 3.23Å; E471-K474 IonicContact OE2-NZ 2.75Å; E471-K474 PolarHBondContact OE2-NZ 2.82Å; Y472-K474 PolarHBondContact O-N 3.24Å; K474-L476 VanDerWaalsContact C-N 3.28Å; K474-L476 PolarHBondContact O-N 3.38Å; K474-S477 PolarHBondContact O-OG 3.24Å; K474-S477 VanDerWaalsContact O-OG 3.05Å
475N49.9Very low60.2Low17 Ų1749.5 Ų49.59%0.09126%0.26CS..Hα-helixtrans-75.6-18.6-178.9-67.5-35.4000113.1E471 Y472 D473 I485E471-N475 PolarHBondContact O-N 3.26Å; E471-N475 PolarHBondContact O-ND2 3.31Å; E471-N475 VanDerWaalsContact O-ND2 3.15Å; Y472-N475 PolarHBondContact O-N 2.98Å; Y472-N475 VanDerWaalsContact O-N 3.1Å; D473-N475 PolarHBondContact O-N 2.9Å; N475-I485 VanDerWaalsContact OD1-CG2 3.29Å; N475-I485 WeakPolarHBondContact OD1-CG2 3.34Å
476L50.7Low57.9Low40 Ų4049.6 Ų49.621%0.20926%0.261CS..Hα-helixtrans-72.9-33.8177.9-122.5119.6000113.3Y472 D473 K474 N478 V521Y472-L476 HydrophobicContact CD1-CD1 3.87Å; Y472-L476 HydrophobicContact CE1-CD1 3.23Å; Y472-L476 PolarHBondContact O-N 2.97Å; D473-L476 WeakPolarHBondContact O-CB 3.24Å; D473-L476 PolarHBondContact O-N 3.06Å; K474-L476 VanDerWaalsContact C-N 3.28Å; K474-L476 PolarHBondContact O-N 3.38Å; L476-N478 VanDerWaalsContact C-N 3.31Å; L476-N478 PolarHBondContact O-N 3.35Å; L476-V521 HydrophobicContact CD2-CB 4.02Å; L476-V521 HydrophobicContact CG-CB 4.27Å
477S46.9Very low55.8Low61 Ų6152 Ų5243%0.42727%0.274SS..SBendtrans-73.2-21.2179.363.80000113.7R409 K474 H479R409-S477 PolarHBondContact NH2-OG 3.16Å; K474-S477 PolarHBondContact O-OG 3.24Å; K474-S477 VanDerWaalsContact O-OG 3.05Å; S477-H479 PolarHBondContact O-N 2.86Å; S477-H479 VanDerWaalsContact O-N 3.1Å
478N44.2Very low54Low87 Ų8759 Ų5947%0.46530%0.304SS..  trans-81.690.4174.9-76-10.8000108.6L476 D480L476-N478 VanDerWaalsContact C-N 3.31Å; L476-N478 PolarHBondContact O-N 3.35Å; N478-D480 PolarHBondContact O-N 2.61Å
479H41.2Very low52.1Low144 Ų14460.2 Ų60.267%0.66731%0.309SS*.THydrogen-bonded Turntrans-54.4-25.5-174.1-89-87000114.8S477S477-H479 PolarHBondContact O-N 2.86Å; S477-H479 VanDerWaalsContact O-N 3.1Å
480D44.7Very low50.7Low152 Ų15260.3 Ų60.381%0.81331%0.309SS*.THydrogen-bonded Turntrans-95.4-16.7-167.1-63.9-26000115.8N478N478-D480 PolarHBondContact O-N 2.61Å
481N39.1Very low49.2Very low85 Ų8560.2 Ų60.246%0.45531%0.311SS..  trans-132.830.5-171.3-86.3-15.4000114.6S483 E484 I485N481-S483 PolarHBondContact O-N 2.92Å; N481-E484 PolarHBondContact O-N 3.39Å; N481-I485 HydrophobicContact CB-CD1 3.6Å; N481-I485 HydrophobicContact CB-CG1 4.02Å; N481-I485 PolarHBondContact O-N 3.13Å
482K41.3Very low48Very low60 Ų6063 Ų6326%0.26132%0.324SS..Hα-helixtrans-56.2-39.6-167.4-61.6-170.8-175.3179.10115A486 V521K482-A486 WeakPolarHBondContact O-CB 3.23Å; K482-V521 HydrophobicContact CD-CG2 3.69Å
483S40Very low46.8Very low79 Ų7963.2 Ų63.255%0.55233%0.326SS*.Hα-helixtrans-87.5-37.3-176.669.90000112.9N481 N487N481-S483 PolarHBondContact O-N 2.92Å; S483-N487 WeakPolarHBondContact O-CB 3.32Å; S483-N487 PolarHBondContact O-N 3.41Å; S483-N487 PolarHBondContact O-ND2 3.48Å
484E41.5Very low45.7Very low139 Ų13963.9 Ų63.965%0.6533%0.328SS*.Hα-helixtrans-74.1-38.3-173.3-156.4173.9-156.900111.8N481 K488N481-E484 PolarHBondContact O-N 3.39Å; E484-K488 WeakPolarHBondContact O-CB 3.39Å; E484-K488 PolarHBondContact O-N 3.17Å
485I43.3Very low44.7Very low58 Ų5869.3 Ų69.330%0.29735%0.354SS..Hα-helixtrans-74.5-43.7178.4-59.9170.4000110.9N475 N481 N487 K488 F489N475-I485 VanDerWaalsContact OD1-CG2 3.29Å; N475-I485 WeakPolarHBondContact OD1-CG2 3.34Å; N481-I485 HydrophobicContact CB-CD1 3.6Å; N481-I485 HydrophobicContact CB-CG1 4.02Å; N481-I485 PolarHBondContact O-N 3.13Å; I485-N487 VanDerWaalsContact C-N 3.33Å; I485-N487 PolarHBondContact O-N 3.15Å; I485-K488 CarbonylContact O-C 3.5Å; I485-K488 PolarHBondContact O-N 3.28Å; I485-K488 VanDerWaalsContact O-N 3.17Å; I485-F489 WeakPolarHBondContact O-CB 3.49Å; I485-F489 PolarHBondContact O-N 3.09Å
486A42.7Very low43.9Very low3 Ų375.9 Ų75.93%0.02538%0.384CS..Hα-helixtrans-62.7-40.9174.300000111.4K482 K488 F489 F490K482-A486 WeakPolarHBondContact O-CB 3.23Å; A486-K488 VanDerWaalsContact C-N 3.32Å; A486-K488 PolarHBondContact O-N 3.18Å; A486-F489 WeakPolarHBondContact O-CB 3.48Å; A486-F489 PolarHBondContact O-N 3.36Å; A486-F490 VanDerWaalsContact O-CD2 3.25Å; A486-F490 WeakPolarHBondContact O-CD2 3.41Å; A486-F490 PolarHBondContact O-N 3.08Å
487N45.4Very low43.1Very low53 Ų5376.6 Ų76.628%0.28339%0.388SS..Hα-helixtrans-69-26.6174.4-74.8-34.6000113.3S483 I485 G491S483-N487 WeakPolarHBondContact O-CB 3.32Å; S483-N487 PolarHBondContact O-N 3.41Å; S483-N487 PolarHBondContact O-ND2 3.48Å; I485-N487 VanDerWaalsContact C-N 3.33Å; I485-N487 PolarHBondContact O-N 3.15Å; N487-G491 WeakPolarHBondContact O-CA 3.41Å; N487-G491 PolarHBondContact O-N 3Å
488K50.3Low42.6Very low147 Ų14778.9 Ų78.964%0.63940%0.4SS*.Hα-helixtrans-77.6-37.5171.2-168.9175.4-176.2176.70111.2E484 I485 A486 G491 E492E484-K488 WeakPolarHBondContact O-CB 3.39Å; E484-K488 PolarHBondContact O-N 3.17Å; I485-K488 CarbonylContact O-C 3.5Å; I485-K488 PolarHBondContact O-N 3.28Å; I485-K488 VanDerWaalsContact O-N 3.17Å; A486-K488 VanDerWaalsContact C-N 3.32Å; A486-K488 PolarHBondContact O-N 3.18Å; K488-G491 WeakPolarHBondContact O-CA 3.36Å; K488-G491 PolarHBondContact O-N 2.79Å; K488-G491 VanDerWaalsContact O-N 3.1Å; K488-E492 PolarHBondContact O-N 3.21Å
489F47.1Very low42.2Very low26 Ų2681.6 Ų81.611%0.11441%0.413CS..Hα-helixtrans-61.8-42.4177-173.1-95.8000112.2H428 L468 E471 I485 A486H428-F489 AromaticContact CD2-CZ 3.88Å; H428-F489 AromaticContact CE1-CD2 3.8Å; H428-F489 AromaticContact CE1-CE1 3.63Å; H428-F489 AromaticContact CE1-CE2 3.28Å; H428-F489 WeakPolarHBondContact CE1-CE2 3.31Å; H428-F489 AromaticContact CE1-CZ 3.17Å; H428-F489 WeakPolarHBondContact CE1-CZ 3.47Å; H428-F489 AromaticContact CG-CE2 3.89Å; H428-F489 AromaticContact CG-CZ 3.86Å; H428-F489 AromaticContact ND1-CD2 3.87Å; H428-F489 AromaticContact ND1-CE2 3.17Å; H428-F489 WeakPolarHBondContact ND1-CE2 3.39Å; H428-F489 AromaticContact ND1-CZ 3.43Å; H428-F489 WeakPolarHBondContact ND1-CZ 3.39Å; H428-F489 AromaticContact NE2-CE1 3.83Å; H428-F489 AromaticContact NE2-CZ 3.48Å; H428-F489 WeakPolarHBondContact NE2-CZ 3.48Å; L468-F489 HydrophobicContact CD2-CE1 3.55Å; L468-F489 HydrophobicContact CD2-CZ 3.9Å; E471-F489 HydrophobicContact CB-CD2 4.49Å; E471-F489 HydrophobicContact CB-CE1 4.32Å; E471-F489 HydrophobicContact CB-CE2 3.4Å; E471-F489 HydrophobicContact CB-CZ 3.3Å; E471-F489 HydrophobicContact CG-CE2 3.7Å; E471-F489 HydrophobicContact CG-CZ 3.87Å; I485-F489 WeakPolarHBondContact O-CB 3.49Å; I485-F489 PolarHBondContact O-N 3.09Å; A486-F489 WeakPolarHBondContact O-CB 3.48Å; A486-F489 PolarHBondContact O-N 3.36Å
490F51.5Low42.2Very low12 Ų1282.5 Ų82.55%0.05342%0.418CS..THydrogen-bonded Turntrans-88.3-18.4168.3-64.9-65.6000113A486 Q493 I494 N529 L530 L533A486-F490 VanDerWaalsContact O-CD2 3.25Å; A486-F490 WeakPolarHBondContact O-CD2 3.41Å; A486-F490 PolarHBondContact O-N 3.08Å; F490-Q493 PolarHBondContact O-N 3.02Å; F490-I494 PolarHBondContact O-N 2.98Å; F490-N529 HydrophobicContact CD1-CB 4.45Å; F490-N529 HydrophobicContact CD2-CB 3.54Å; F490-N529 WeakPolarHBondContact CD2-ND2 2.96Å; F490-N529 HydrophobicContact CE1-CB 4.35Å; F490-N529 HydrophobicContact CE2-CB 3.46Å; F490-N529 VanDerWaalsContact CE2-CB 3.46Å; F490-N529 WeakPolarHBondContact CE2-ND2 3.38Å; F490-N529 HydrophobicContact CG-CB 4.05Å; F490-N529 HydrophobicContact CZ-CB 3.88Å; F490-L530 HydrophobicContact CE1-CD2 4.11Å; F490-L530 HydrophobicContact CZ-CD2 4.45Å; F490-L533 HydrophobicContact CD1-CD1 3.72Å; F490-L533 HydrophobicContact CE1-CD1 4.04Å
491G47.9Very low42.1Very low9 Ų978.7 Ų78.79%0.09340%0.397CS..Hα-helixtrans-65.4-36.1179.900000113.7N487 K488 Q493 I494 E495N487-G491 WeakPolarHBondContact O-CA 3.41Å; N487-G491 PolarHBondContact O-N 3Å; K488-G491 WeakPolarHBondContact O-CA 3.36Å; K488-G491 PolarHBondContact O-N 2.79Å; K488-G491 VanDerWaalsContact O-N 3.1Å; G491-Q493 PolarHBondContact O-N 3.19Å; G491-Q493 VanDerWaalsContact O-N 3.14Å; G491-I494 CarbonylContact O-C 3.6Å; G491-I494 WeakPolarHBondContact O-CA 3.5Å; G491-I494 WeakPolarHBondContact O-CB 3.42Å; G491-I494 PolarHBondContact O-N 3.28Å; G491-E495 PolarHBondContact O-N 3.45Å
492E47.8Very low42Very low65 Ų6579.7 Ų79.730%0.30440%0.399SS..Hα-helixtrans-59.8-23.3176.1-74.3-176-177.400112.6L432 K488 H496L432-E492 HydrophobicContact CD2-CB 4.25Å; K488-E492 PolarHBondContact O-N 3.21Å; E492-H496 PolarHBondContact O-CD2 3.39Å
493Q44.2Very low42Very low24 Ų2487 Ų8711%0.11243%0.425CS..Hα-helixtrans-86.8-28.6169.9-115.3-1701100113.8L432 F490 G491L432-Q493 HydrophobicContact CD1-CG 3.66Å; L432-Q493 VanDerWaalsContact CD1-NE2 3.26Å; L432-Q493 HydrophobicContact CD2-CG 4.16Å; L432-Q493 HydrophobicContact CG-CG 4.03Å; F490-Q493 PolarHBondContact O-N 3.02Å; G491-Q493 PolarHBondContact O-N 3.19Å; G491-Q493 VanDerWaalsContact O-N 3.14Å
494I41Very low42Very low52 Ų5290.5 Ų90.527%0.26743%0.433SS..Hα-helixtrans-76.3-32.4178.6-71.4170.9000111.7F490 G491 H496 D497F490-I494 PolarHBondContact O-N 2.98Å; G491-I494 CarbonylContact O-C 3.6Å; G491-I494 WeakPolarHBondContact O-CA 3.5Å; G491-I494 WeakPolarHBondContact O-CB 3.42Å; G491-I494 PolarHBondContact O-N 3.28Å; I494-H496 PolarHBondContact O-N 3.22Å; I494-D497 PolarHBondContact O-N 3.45Å; I494-D497 VanDerWaalsContact O-N 3.15Å
495E37.2Very low41.9Very low143 Ų14388.1 Ų88.167%0.66842%0.418SS*.THydrogen-bonded Turntrans-73.2-14.3-178.7-77.6-174167.900113.8G491 D497G491-E495 PolarHBondContact O-N 3.45Å; E495-D497 PolarHBondContact O-N 3.2Å
496H33.8Very low41.5Very low155 Ų15592.5 Ų92.572%0.71844%0.435SS*.THydrogen-bonded Turntrans-81.80.6169.8-75.8-57.1000113.8E492 I494E492-H496 PolarHBondContact O-CD2 3.39Å; I494-H496 PolarHBondContact O-N 3.22Å
497D34Very low41.2Very low54 Ų54102.4 Ų102.429%0.28947%0.472SS..SBendtrans-94.5132.8169.6-73-31.2000111.3I494 E495I494-D497 PolarHBondContact O-N 3.45Å; I494-D497 VanDerWaalsContact O-N 3.15Å; E495-D497 PolarHBondContact O-N 3.2Å
498T36.9Very low40.8Very low109 Ų109102.8 Ų102.867%0.66948%0.482SS*.  trans-47.3148.5-174.735.10000115.3E500 N501T498-E500 PolarHBondContact O-N 3.04Å; T498-N501 PolarHBondContact O-N 3Å; T498-N501 VanDerWaalsContact O-N 3.1Å
499L35Very low39.9Very low144 Ų144103.5 Ų103.575%0.75448%0.481SS*.THydrogen-bonded Turntrans-43.6-21.8-175.6-116.1148.7000117
500E40.6Very low39.2Very low164 Ų164110.5 Ų110.577%0.76651%0.512SS*.THydrogen-bonded Turntrans-66.9-33.3177.1-85.5179.3142.800113.4T498 Q502T498-E500 PolarHBondContact O-N 3.04Å; E500-Q502 PolarHBondContact O-N 3.05Å
501N43Very low38.4Very low71 Ų71118.2 Ų118.238%0.3855%0.548SS..Hα-helixtrans-79.8-12.7-175.1-74.1-15.4000114.5T498 R503T498-N501 PolarHBondContact O-N 3Å; T498-N501 VanDerWaalsContact O-N 3.1Å; N501-R503 VanDerWaalsContact C-N 3.26Å; N501-R503 PolarHBondContact O-N 3.18Å
502Q37.6Very low37.7Very low106 Ų106123.4 Ų123.450%0.49558%0.577SS.*Hα-helixtrans-69-24.9175.6-73.2-168.7-5.900112.7E500 K506E500-Q502 PolarHBondContact O-N 3.05Å; Q502-K506 PolarHBondContact O-N 3.49Å
503R40Very low36.7Very low214 Ų214124.6 Ų124.681%0.80859%0.593SS**Hα-helixtrans-77.5-37.2-176.5-72.8-174.5-179.8-178.61.2113N501N501-R503 VanDerWaalsContact C-N 3.26Å; N501-R503 PolarHBondContact O-N 3.18Å
504E41.6Very low35.8Very low153 Ų153131 Ų13172%0.71563%0.628SS**Hα-helixtrans-74.9-36.6177.8-72.5-172.1157.400112.1K506 R507E504-K506 PolarHBondContact O-N 2.9Å; E504-R507 PolarHBondContact O-N 3.4Å
505R38.9Very low35.2Very low89 Ų89133.1 Ų133.134%0.33665%0.648SS.*Hα-helixtrans-71.3-26.7179.5-74.6-177.6173163.4-1.4114.3R507 A508 R509 N536R505-R507 PolarHBondContact O-N 3.11Å; R505-A508 PolarHBondContact O-N 3.25Å; R505-R509 PolarHBondContact O-N 3.42Å; R505-N536 PolarHBondContact NH2-OD1 3.41Å
506K34.7Very low34.6Very low150 Ų150134.4 Ų134.465%0.65266%0.659SS**Hα-helixtrans-63.9-27.6172-85.3-173.5178.2-178.60112.5Q502 E504 F510Q502-K506 PolarHBondContact O-N 3.49Å; E504-K506 PolarHBondContact O-N 2.9Å; K506-F510 WeakPolarHBondContact O-CD2 3.37Å
507R37.3Very low34.2Very low211 Ų211132.2 Ų132.280%0.79666%0.657SS**Hα-helixtrans-72.6-40.9175.5-82.1-177.2178.1170.7-0.7112.5E504 R505 R509 F510E504-R507 PolarHBondContact O-N 3.4Å; R505-R507 PolarHBondContact O-N 3.11Å; R507-R509 VanDerWaalsContact C-N 3.34Å; R507-R509 PolarHBondContact O-N 2.98Å; R507-F510 PolarHBondContact O-N 3.2Å
508A36.3Very low33.7Very low61 Ų61134.1 Ų134.150%0.50469%0.689SS.*Hα-helixtrans-68.7-28.8-179.900000113.6R505 F510 E511R505-A508 PolarHBondContact O-N 3.25Å; A508-F510 VanDerWaalsContact C-N 3.33Å; A508-F510 PolarHBondContact O-N 2.99Å; A508-E511 PolarHBondContact O-N 2.92Å
509R32.4Very low33Very low161 Ų161133.3 Ų133.361%0.60868%0.684SS**Hα-helixtrans-70.9-24.2178.9-78.2-172.8-174.5173.52.9114.4R505 R507 E511R505-R509 PolarHBondContact O-N 3.42Å; R507-R509 VanDerWaalsContact C-N 3.34Å; R507-R509 PolarHBondContact O-N 2.98Å; R509-E511 PolarHBondContact O-N 3.12Å
510F31.6Very low32.6Very low173 Ų173135.9 Ų135.976%0.75969%0.69SS**THydrogen-bonded Turntrans-73.9-14.7178.5-90.4-77.6000113.3K506 R507 A508K506-F510 WeakPolarHBondContact O-CD2 3.37Å; R507-F510 PolarHBondContact O-N 3.2Å; A508-F510 VanDerWaalsContact C-N 3.33Å; A508-F510 PolarHBondContact O-N 2.99Å
511E34.2Very low32.3Very low174 Ų174130.2 Ų130.281%0.81367%0.666SS**THydrogen-bonded Turntrans-96-8-176.8-72.4-176.7166.900114.5A508 R509A508-E511 PolarHBondContact O-N 2.92Å; R509-E511 PolarHBondContact O-N 3.12Å
512V34.5Very low32.5Very low118 Ų118129.8 Ų129.872%0.71567%0.669SS**SBendtrans-107.10.5-175-172.10000113.4N514V512-N514 VanDerWaalsContact C-N 3.26Å; V512-N514 PolarHBondContact O-N 3.42Å; V512-N514 VanDerWaalsContact O-N 3.17Å
513S26.4Very low33.4Very low90 Ų90125.8 Ų125.863%0.62965%0.652SS**SBendtrans-84.223.6-177.9640000115.6
514N25.2Very low34.3Very low158 Ų158117.1 Ų117.185%0.84563%0.625SS**  trans-134.676.8176.6-83.7-10.6000111.2V512V512-N514 VanDerWaalsContact C-N 3.26Å; V512-N514 PolarHBondContact O-N 3.42Å; V512-N514 VanDerWaalsContact O-N 3.17Å
515S28.4Very low35.5Very low98 Ų98112.2 Ų112.269%0.68560%0.603SS**  trans-149.993.3159.162.50000110.1T517S515-T517 PolarHBondContact O-N 2.94Å
516D24.1Very low37.3Very low170 Ų170108.4 Ų108.491%0.90959%0.59SS**  trans-65.1110.9159.9-78.8-39.7000108.3
517T26.4Very low39.5Very low109 Ų109101.4 Ų101.467%0.66956%0.559SS**  trans-162.4113.6158.60.50000109.3S515 T519S515-T517 PolarHBondContact O-N 2.94Å; T517-T519 WeakPolarHBondContact CB-OG1 3.26Å; T517-T519 PolarHBondContact O-N 3.01Å
518G22.6Very low41.6Very low94 Ų9494.4 Ų94.497%0.96954%0.537SS*.  trans-6587.5164.600000109
519T23.3Very low43.7Very low92 Ų9292.4 Ų92.456%0.56452%0.518SS*.SBendtrans-136.8143.5175.5-32.40000106T517 V521T517-T519 WeakPolarHBondContact CB-OG1 3.26Å; T517-T519 PolarHBondContact O-N 3.01Å; T519-V521 PolarHBondContact O-N 2.73Å
520F26.1Very low46.3Very low197 Ų19784.8 Ų84.886%0.86449%0.49SS*.  trans-34.8116.8165.7-87.4-98.7000108.6S522F520-S522 VanDerWaalsContact C-N 3.3Å; F520-S522 PolarHBondContact O-N 2.88Å
521V33.9Very low48.9Very low45 Ų4576.8 Ų76.827%0.27346%0.455SS..  trans-66.1103.2178.9171.20000105.3L476 K482 T519 L525L476-V521 HydrophobicContact CD2-CB 4.02Å; L476-V521 HydrophobicContact CG-CB 4.27Å; K482-V521 HydrophobicContact CD-CG2 3.69Å; T519-V521 PolarHBondContact O-N 2.73Å; V521-L525 HydrophobicContact CG1-CD2 4.32Å
522S46.4Very low51.2Low63 Ų6372.7 Ų72.744%0.44144%0.439SS..  trans-57.9151.3-167.436.10000110.6Y472 F520 S524 L525Y472-S522 PolarHBondContact OH-O 3.36Å; F520-S522 VanDerWaalsContact C-N 3.3Å; F520-S522 PolarHBondContact O-N 2.88Å; S522-S524 PolarHBondContact O-N 2.82Å; S522-S524 PolarHBondContact OG-OG 2.79Å; S522-L525 PolarHBondContact O-N 3.21Å
523S56.4Low53.5Low21 Ų2167.4 Ų67.415%0.14741%0.406CS..THydrogen-bonded Turntrans-46.1-18.4162.454.90000113.4L525 L526 W527 D574S523-L525 VanDerWaalsContact C-N 3.31Å; S523-L525 PolarHBondContact O-N 3.24Å; S523-L526 WeakPolarHBondContact O-CB 2.96Å; S523-L526 PolarHBondContact O-N 2.82Å; S523-L526 VanDerWaalsContact O-N 3.13Å; S523-W527 VanDerWaalsContact C-CD1 3.43Å; S523-W527 PolarHBondContact O-N 2.83Å; S523-D574 WeakPolarHBondContact CB-OD1 3.28Å; S523-D574 PolarHBondContact OG-OD1 3.34Å
524S59.4Low56.3Low33 Ų3363.6 Ų63.623%0.23138%0.379CS..Hα-helixtrans-49.6-43.5172.871.90000113.7S522 L526 W527 D528S522-S524 PolarHBondContact O-N 2.82Å; S522-S524 PolarHBondContact OG-OG 2.79Å; S524-L526 PolarHBondContact O-N 3.47Å; S524-W527 PolarHBondContact O-N 2.8Å; S524-W527 VanDerWaalsContact O-N 3.17Å; S524-D528 WeakPolarHBondContact O-CB 3.12Å; S524-D528 PolarHBondContact O-N 2.88Å
525L67.8Low58.7Low50 Ų5060.2 Ų60.226%0.26236%0.361SS..Hα-helixtrans-68.7-35-178.8176.471.7000111.7Y472 V521 S522 S523 N529Y472-L525 WeakPolarHBondContact OH-CB 3.42Å; V521-L525 HydrophobicContact CG1-CD2 4.32Å; S522-L525 PolarHBondContact O-N 3.21Å; S523-L525 VanDerWaalsContact C-N 3.31Å; S523-L525 PolarHBondContact O-N 3.24Å; L525-N529 WeakPolarHBondContact O-CB 3.5Å; L525-N529 VanDerWaalsContact O-CG 3.28Å; L525-N529 PolarHBondContact O-N 3.18Å; L525-N529 VanDerWaalsContact O-N 3.14Å; L525-N529 PolarHBondContact O-ND2 3.05Å
526L75.2Confident60.6Low9 Ų956.7 Ų56.75%0.04734%0.335CS..Hα-helixtrans-60.6-50.5170.1-179.786.7000109.6Y472 S523 S524 N529 L530 V551Y472-L526 HydrophobicContact CD1-CB 4.08Å; Y472-L526 HydrophobicContact CD1-CD1 3.83Å; Y472-L526 HydrophobicContact CD1-CG 4.42Å; Y472-L526 HydrophobicContact CD2-CB 4.06Å; Y472-L526 HydrophobicContact CD2-CD1 3.52Å; Y472-L526 HydrophobicContact CD2-CG 4.42Å; Y472-L526 HydrophobicContact CE1-CB 3.74Å; Y472-L526 HydrophobicContact CE1-CD1 4.36Å; Y472-L526 HydrophobicContact CE2-CB 3.71Å; Y472-L526 HydrophobicContact CE2-CD1 4.09Å; Y472-L526 HydrophobicContact CG-CB 4.24Å; Y472-L526 HydrophobicContact CG-CD1 3.38Å; Y472-L526 HydrophobicContact CG-CG 4.36Å; Y472-L526 PolarHBondContact OH-N 2.87Å; Y472-L526 VanDerWaalsContact OH-N 3.15Å; S523-L526 WeakPolarHBondContact O-CB 2.96Å; S523-L526 PolarHBondContact O-N 2.82Å; S523-L526 VanDerWaalsContact O-N 3.13Å; S524-L526 PolarHBondContact O-N 3.47Å; L526-N529 PolarHBondContact O-N 3.28Å; L526-L530 HydrophobicContact CD1-CD1 4.26Å; L526-L530 HydrophobicContact CD2-CD1 4.19Å; L526-L530 HydrophobicContact CG-CD1 3.84Å; L526-L530 HydrophobicContact CG-CG 4.4Å; L526-L530 WeakPolarHBondContact O-CB 3.48Å; L526-L530 WeakPolarHBondContact O-CG 3.36Å; L526-L530 PolarHBondContact O-N 2.88Å; L526-V551 HydrophobicContact CD2-CG1 3.97Å
527W81.8Confident62.1Low2 Ų257 Ų571%0.00834%0.336CS..Hα-helixtrans-62.6-45-177.7-63134.5000112.3S523 S524 N529 L530 V531 I548 V551 I552 M555 L578 I581S523-W527 VanDerWaalsContact C-CD1 3.43Å; S523-W527 PolarHBondContact O-N 2.83Å; S524-W527 PolarHBondContact O-N 2.8Å; S524-W527 VanDerWaalsContact O-N 3.17Å; W527-N529 VanDerWaalsContact C-N 3.32Å; W527-N529 PolarHBondContact O-N 3.35Å; W527-L530 HydrophobicContact CE3-CD1 4.26Å; W527-L530 HydrophobicContact CZ3-CD1 4.32Å; W527-L530 PolarHBondContact O-N 3.13Å; W527-V531 WeakPolarHBondContact O-CB 3.48Å; W527-V531 VanDerWaalsContact O-CG2 3.29Å; W527-V531 WeakPolarHBondContact O-CG2 3.37Å; W527-V531 PolarHBondContact O-N 2.92Å; W527-I548 HydrophobicContact CZ3-CG2 4.02Å; W527-V551 HydrophobicContact CH2-CB 4.37Å; W527-V551 HydrophobicContact CH2-CG1 3.58Å; W527-V551 HydrophobicContact CZ3-CB 4.37Å; W527-V551 HydrophobicContact CZ3-CG1 3.82Å; W527-I552 HydrophobicContact CH2-CG1 3.49Å; W527-I552 VanDerWaalsContact CH2-CG1 3.49Å; W527-I552 HydrophobicContact CZ2-CG1 4.31Å; W527-I552 HydrophobicContact CZ3-CG1 4.07Å; W527-M555 HydrophobicContact CH2-SD 3.82Å; W527-M555 HydrophobicContact CZ2-CE 4.2Å; W527-M555 HydrophobicContact CZ2-SD 3.54Å; W527-M555 VanDerWaalsContact CZ2-SD 3.54Å; W527-L578 HydrophobicContact CB-CD1 4.39Å; W527-L578 HydrophobicContact CD2-CB 4.28Å; W527-L578 HydrophobicContact CD2-CD1 3.89Å; W527-L578 HydrophobicContact CE3-CD1 3.72Å; W527-L578 HydrophobicContact CE3-CD2 4.46Å; W527-L578 HydrophobicContact CG-CB 4.44Å; W527-L578 HydrophobicContact CG-CD1 4.2Å; W527-L578 HydrophobicContact CH2-CD2 4.37Å; W527-L578 HydrophobicContact CZ3-CD1 4.31Å; W527-L578 HydrophobicContact CZ3-CD2 4.3Å; W527-I581 HydrophobicContact CB-CD1 3.37Å; W527-I581 HydrophobicContact CG-CD1 4.28Å
528D80.9Confident64.1Low64 Ų6455.1 Ų55.134%0.34233%0.325SS..Hα-helixtrans-58-46.8176.9-70.4-31000110.5S524 N532 I581S524-D528 WeakPolarHBondContact O-CB 3.12Å; S524-D528 PolarHBondContact O-N 2.88Å; D528-N532 WeakPolarHBondContact O-CB 3.41Å; D528-N532 PolarHBondContact O-N 3.46Å; D528-N532 PolarHBondContact O-ND2 3.42Å; D528-I581 VanDerWaalsContact OD1-CD1 3.29Å; D528-I581 WeakPolarHBondContact OD1-CD1 2.95Å; D528-I581 WeakPolarHBondContact OD1-CG1 3.15Å
529N81.8Confident66.4Low20 Ų2057 Ų5711%0.10731%0.306CS..Hα-helixtrans-64.5-47178.2-74-36.9000112.3F490 L525 L526 W527 N532 L533F490-N529 HydrophobicContact CD1-CB 4.45Å; F490-N529 HydrophobicContact CD2-CB 3.54Å; F490-N529 WeakPolarHBondContact CD2-ND2 2.96Å; F490-N529 HydrophobicContact CE1-CB 4.35Å; F490-N529 HydrophobicContact CE2-CB 3.46Å; F490-N529 VanDerWaalsContact CE2-CB 3.46Å; F490-N529 WeakPolarHBondContact CE2-ND2 3.38Å; F490-N529 HydrophobicContact CG-CB 4.05Å; F490-N529 HydrophobicContact CZ-CB 3.88Å; L525-N529 WeakPolarHBondContact O-CB 3.5Å; L525-N529 VanDerWaalsContact O-CG 3.28Å; L525-N529 PolarHBondContact O-N 3.18Å; L525-N529 VanDerWaalsContact O-N 3.14Å; L525-N529 PolarHBondContact O-ND2 3.05Å; L526-N529 PolarHBondContact O-N 3.28Å; W527-N529 VanDerWaalsContact C-N 3.32Å; W527-N529 PolarHBondContact O-N 3.35Å; N529-N532 PolarHBondContact O-N 3.16Å; N529-L533 WeakPolarHBondContact O-CG 3.36Å; N529-L533 PolarHBondContact O-N 3.06Å
530L86.2Confident69.2Low1 Ų153.5 Ų53.51%0.00528%0.283CS..Hα-helixtrans-64.8-41.9179.7-69.6176.5000111.9F490 L526 W527 L533 T534 W544 I548 V551F490-L530 HydrophobicContact CE1-CD2 4.11Å; F490-L530 HydrophobicContact CZ-CD2 4.45Å; L526-L530 HydrophobicContact CD1-CD1 4.26Å; L526-L530 HydrophobicContact CD2-CD1 4.19Å; L526-L530 HydrophobicContact CG-CD1 3.84Å; L526-L530 HydrophobicContact CG-CG 4.4Å; L526-L530 WeakPolarHBondContact O-CB 3.48Å; L526-L530 WeakPolarHBondContact O-CG 3.36Å; L526-L530 PolarHBondContact O-N 2.88Å; W527-L530 HydrophobicContact CE3-CD1 4.26Å; W527-L530 HydrophobicContact CZ3-CD1 4.32Å; W527-L530 PolarHBondContact O-N 3.13Å; L530-L533 HydrophobicContact CD2-CD1 4.49Å; L530-L533 WeakPolarHBondContact O-CB 3.18Å; L530-L533 PolarHBondContact O-N 3.16Å; L530-T534 WeakPolarHBondContact O-CG2 3.26Å; L530-T534 PolarHBondContact O-N 3.13Å; L530-T534 VanDerWaalsContact O-N 3.09Å; L530-W544 HydrophobicContact CD2-CE3 3.89Å; L530-W544 HydrophobicContact CD2-CZ3 3.9Å; L530-I548 HydrophobicContact CB-CD1 3.94Å; L530-I548 HydrophobicContact CB-CG1 3.85Å; L530-I548 HydrophobicContact CD1-CG1 4.02Å; L530-I548 HydrophobicContact CG-CG1 4.48Å; L530-V551 HydrophobicContact CD1-CG2 4.39Å
531V85.4Confident72Confident4 Ų444.2 Ų44.22%0.02424%0.243CC..Hα-helixtrans-69.3-37177.4174.80000110.8W527 L533 T534 N535 W545 I548 L578 I581 I582W527-V531 WeakPolarHBondContact O-CB 3.48Å; W527-V531 VanDerWaalsContact O-CG2 3.29Å; W527-V531 WeakPolarHBondContact O-CG2 3.37Å; W527-V531 PolarHBondContact O-N 2.92Å; V531-L533 VanDerWaalsContact C-N 3.28Å; V531-L533 PolarHBondContact O-N 2.95Å; V531-T534 WeakPolarHBondContact O-CB 3.41Å; V531-T534 PolarHBondContact O-N 3.24Å; V531-T534 PolarHBondContact O-OG1 2.71Å; V531-N535 PolarHBondContact O-N 3.47Å; V531-N535 VanDerWaalsContact O-N 3.09Å; V531-W545 HydrophobicContact CG1-CH2 4.34Å; V531-W545 HydrophobicContact CG2-CH2 4.37Å; V531-W545 HydrophobicContact CG2-CZ3 4.28Å; V531-I548 HydrophobicContact CG2-CD1 4.27Å; V531-L578 HydrophobicContact CG2-CD1 4.43Å; V531-I581 HydrophobicContact CB-CG2 3.77Å; V531-I581 HydrophobicContact CG1-CG2 3.97Å; V531-I581 HydrophobicContact CG2-CG2 3.71Å; V531-I582 HydrophobicContact CG2-CG2 3.99Å
532N83.2Confident74.6Confident89 Ų8942.7 Ų42.748%0.47623%0.234SC..Hα-helixtrans-58.7-40.2171.2-75.2-28.9000111.8D528 N529 T534 N535 N536D528-N532 WeakPolarHBondContact O-CB 3.41Å; D528-N532 PolarHBondContact O-N 3.46Å; D528-N532 PolarHBondContact O-ND2 3.42Å; N529-N532 PolarHBondContact O-N 3.16Å; N532-T534 VanDerWaalsContact C-N 3.32Å; N532-T534 PolarHBondContact O-N 2.87Å; N532-N535 CarbonylContact O-C 3.36Å; N532-N535 PolarHBondContact O-N 3.35Å; N532-N536 PolarHBondContact O-N 3.32Å; N532-N536 PolarHBondContact O-OD1 3.22Å
533L83.4Confident76.7Confident6 Ų639.7 Ų39.73%0.03121%0.213CC..Hα-helixtrans-64.9-33.6174.4-66.3172.2000112.9F490 N529 L530 V531 N535 N536 W544F490-L533 HydrophobicContact CD1-CD1 3.72Å; F490-L533 HydrophobicContact CE1-CD1 4.04Å; N529-L533 WeakPolarHBondContact O-CG 3.36Å; N529-L533 PolarHBondContact O-N 3.06Å; L530-L533 HydrophobicContact CD2-CD1 4.49Å; L530-L533 WeakPolarHBondContact O-CB 3.18Å; L530-L533 PolarHBondContact O-N 3.16Å; V531-L533 VanDerWaalsContact C-N 3.28Å; V531-L533 PolarHBondContact O-N 2.95Å; L533-N535 VanDerWaalsContact C-N 3.28Å; L533-N535 PolarHBondContact O-N 3.48Å; L533-N536 PolarHBondContact O-N 2.92Å; L533-W544 HydrophobicContact CB-CB 4.46Å; L533-W544 HydrophobicContact CB-CD2 3.87Å; L533-W544 HydrophobicContact CB-CG 3.78Å; L533-W544 HydrophobicContact CD1-CD2 3.91Å; L533-W544 HydrophobicContact CD1-CE3 3.94Å; L533-W544 HydrophobicContact CD1-CH2 3.87Å; L533-W544 HydrophobicContact CD1-CZ2 3.84Å; L533-W544 HydrophobicContact CD1-CZ3 3.9Å
534T83.6Confident78.3Confident11 Ų1139 Ų397%0.06721%0.207CC..Hα-helixtrans-66.4-32.3174.169.10000112.8L530 V531 N532 G541 W544 W545 I548L530-T534 WeakPolarHBondContact O-CG2 3.26Å; L530-T534 PolarHBondContact O-N 3.13Å; L530-T534 VanDerWaalsContact O-N 3.09Å; V531-T534 WeakPolarHBondContact O-CB 3.41Å; V531-T534 PolarHBondContact O-N 3.24Å; V531-T534 PolarHBondContact O-OG1 2.71Å; N532-T534 VanDerWaalsContact C-N 3.32Å; N532-T534 PolarHBondContact O-N 2.87Å; T534-G541 WeakPolarHBondContact CA-O 3.46Å; T534-W544 HydrophobicContact CG2-CB 3.44Å; T534-W544 VanDerWaalsContact CG2-CB 3.44Å; T534-W545 HydrophobicContact CG2-CD2 3.59Å; T534-W545 HydrophobicContact CG2-CE3 3.86Å; T534-W545 HydrophobicContact CG2-CG 4.05Å; T534-W545 HydrophobicContact CG2-CH2 4.19Å; T534-W545 HydrophobicContact CG2-CZ2 3.95Å; T534-W545 HydrophobicContact CG2-CZ3 4.13Å; T534-W545 WeakPolarHBondContact OG1-CZ2 3.34Å; T534-I548 HydrophobicContact CG2-CD1 3.77Å
535N75.9Confident79.9Confident86 Ų8637.9 Ų37.946%0.4620%0.198SC..Hα-helixtrans-91.6-4.6-177.3-73.5-24.5000113.6V531 N532 L533 N537 S585V531-N535 PolarHBondContact O-N 3.47Å; V531-N535 VanDerWaalsContact O-N 3.09Å; N532-N535 CarbonylContact O-C 3.36Å; N532-N535 PolarHBondContact O-N 3.35Å; L533-N535 VanDerWaalsContact C-N 3.28Å; L533-N535 PolarHBondContact O-N 3.48Å; N535-N537 PolarHBondContact O-N 3.34Å; N535-S585 PolarHBondContact ND2-OG 3.48Å; N535-S585 PolarHBondContact OD1-OG 3.16Å
536N69.1Low81Confident25 Ų2535.5 Ų35.513%0.13419%0.185CC..SBendtrans-57.7137.6172.3-76.3-18.8000109.6R505 N532 L533 T538R505-N536 PolarHBondContact NH2-OD1 3.41Å; N532-N536 PolarHBondContact O-N 3.32Å; N532-N536 PolarHBondContact O-OD1 3.22Å; L533-N536 PolarHBondContact O-N 2.92Å; N536-T538 HydrophobicContact CB-CG2 4.43Å; N536-T538 PolarHBondContact O-N 3.15Å
537N54.7Low81.8Confident176 Ų17635 Ų3594%0.94118%0.183SC*.SBendtrans-62.915.1-178.5-78.1-21.7000115.1N535N535-N537 PolarHBondContact O-N 3.34Å
538T68.1Low82.3Confident69 Ų6935 Ų3542%0.42318%0.183SC..SBendtrans-75.2142.5175.867.70000110.6N536 F540 G541N536-T538 HydrophobicContact CB-CG2 4.43Å; N536-T538 PolarHBondContact O-N 3.15Å; T538-F540 PolarHBondContact O-N 3.46Å; T538-G541 PolarHBondContact O-N 3.25Å; T538-G541 WeakPolarHBondContact OG1-CA 3.27Å; T538-G541 PolarHBondContact OG1-N 2.93Å; T538-G541 VanDerWaalsContact OG1-N 3.08Å
539K71.3Confident82.6Confident135 Ų13531.9 Ų31.959%0.58717%0.167SC*.THydrogen-bonded Turntrans-53.2-24179-174.4176.8176.5-178.30113.7S443S443-K539 PolarHBondContact O-NZ 3Å
540F83.5Confident82.9Confident18 Ų1831 Ų318%0.07916%0.162CC..THydrogen-bonded Turntrans-125.720-175-63.1-72.8000114.2T439 L442 T538 C542 L543 L593T439-F540 HydrophobicContact CG2-CB 3.61Å; T439-F540 HydrophobicContact CG2-CD2 4.48Å; T439-F540 HydrophobicContact CG2-CG 4.27Å; T439-F540 WeakPolarHBondContact O-CD2 3.33Å; T439-F540 VanDerWaalsContact O-CE2 3.25Å; T439-F540 WeakPolarHBondContact O-CE2 3.42Å; L442-F540 VanDerWaalsContact C-CZ 3.41Å; L442-F540 HydrophobicContact CB-CD1 4.29Å; L442-F540 HydrophobicContact CB-CE1 3.71Å; L442-F540 HydrophobicContact CB-CE2 4.05Å; L442-F540 HydrophobicContact CB-CZ 3.57Å; L442-F540 HydrophobicContact CD1-CD1 4.36Å; L442-F540 HydrophobicContact CD1-CE1 4.43Å; L442-F540 WeakPolarHBondContact O-CZ 3.4Å; T538-F540 PolarHBondContact O-N 3.46Å; F540-C542 PolarHBondContact O-N 3.37Å; F540-C542 VanDerWaalsContact O-N 3.12Å; F540-L543 HydrophobicContact CB-CD1 4.08Å; F540-L543 HydrophobicContact CB-CG 4.29Å; F540-L543 WeakPolarHBondContact O-CB 3.32Å; F540-L543 WeakPolarHBondContact O-CG 3.48Å; F540-L543 PolarHBondContact O-N 3.1Å; F540-L593 HydrophobicContact CD1-CD2 3.94Å; F540-L593 HydrophobicContact CE1-CD2 3.93Å
541G84.5Confident83Confident2 Ų231 Ų312%0.02116%0.162CC..G310 helixtrans-54.7-29.9173.300000112.5T534 T538 L543 W544T534-G541 WeakPolarHBondContact CA-O 3.46Å; T538-G541 PolarHBondContact O-N 3.25Å; T538-G541 WeakPolarHBondContact OG1-CA 3.27Å; T538-G541 PolarHBondContact OG1-N 2.93Å; T538-G541 VanDerWaalsContact OG1-N 3.08Å; G541-L543 PolarHBondContact O-N 2.76Å; G541-W544 WeakPolarHBondContact O-CB 3.48Å; G541-W544 PolarHBondContact O-N 3.44Å
542C87.1Confident83Confident12 Ų1231 Ų318%0.08116%0.161CC..G310 helixtrans-58.9-19.9176.4640000115.4F540 W544 W545 A594 C597F540-C542 PolarHBondContact O-N 3.37Å; F540-C542 VanDerWaalsContact O-N 3.12Å; C542-W544 PolarHBondContact O-N 3.48Å; C542-W545 WeakPolarHBondContact O-CB 3.43Å; C542-W545 PolarHBondContact O-N 3.44Å; C542-W545 VanDerWaalsContact O-N 3.13Å; C542-A594 HydrophobicContact CB-CB 3.7Å; C542-C597 WeakPolarHBondContact O-CB 3.22Å
543L90.9Very high83Confident0 Ų027.7 Ų27.70%014%0.142CC..G310 helixtrans-65.8-22.5176.2-63.1-178.6000112.3F435 T439 L442 V454 F461 F540 G541 W545 L546F435-L543 HydrophobicContact CE2-CB 3.93Å; F435-L543 HydrophobicContact CE2-CD1 4.42Å; F435-L543 HydrophobicContact CZ-CB 3.85Å; F435-L543 HydrophobicContact CZ-CD1 4.39Å; T439-L543 HydrophobicContact CG2-CD1 3.84Å; L442-L543 HydrophobicContact CD1-CD1 3.89Å; V454-L543 HydrophobicContact CG1-CD2 3.83Å; V454-L543 HydrophobicContact CG2-CD2 3.86Å; F461-L543 HydrophobicContact CE1-CB 4.18Å; F461-L543 HydrophobicContact CZ-CB 4.49Å; F461-L543 HydrophobicContact CZ-CD1 4.47Å; F461-L543 HydrophobicContact CZ-CD2 4.24Å; F540-L543 HydrophobicContact CB-CD1 4.08Å; F540-L543 HydrophobicContact CB-CG 4.29Å; F540-L543 WeakPolarHBondContact O-CB 3.32Å; F540-L543 WeakPolarHBondContact O-CG 3.48Å; F540-L543 PolarHBondContact O-N 3.1Å; G541-L543 PolarHBondContact O-N 2.76Å; L543-W545 PolarHBondContact O-N 3.43Å; L543-L546 HydrophobicContact CD2-CD1 4.12Å; L543-L546 WeakPolarHBondContact O-CB 3.08Å; L543-L546 PolarHBondContact O-N 3.46Å
544W91.4Very high83Confident7 Ų727.6 Ų27.63%0.02714%0.141CC..Hα-helixtrans-61.7-25.3173.4-75.4105.4000112.8F435 F464 L468 L530 L533 T534 G541 C542 L546 I547 I548F435-W544 HydrophobicContact CE1-CZ2 4.27Å; F435-W544 AromaticContact CE1-NE1 3.69Å; F435-W544 HydrophobicContact CZ-CD2 4.48Å; F435-W544 AromaticContact CZ-CE2 3.9Å; F435-W544 HydrophobicContact CZ-CZ2 4.33Å; F435-W544 AromaticContact CZ-NE1 3.64Å; F464-W544 AromaticContact CE1-CH2 3.98Å; F464-W544 HydrophobicContact CE1-CH2 3.98Å; F464-W544 HydrophobicContact CE1-CZ2 4.48Å; F464-W544 HydrophobicContact CE2-CH2 4.45Å; F464-W544 AromaticContact CZ-CH2 3.69Å; F464-W544 HydrophobicContact CZ-CH2 3.69Å; F464-W544 HydrophobicContact CZ-CZ2 4.43Å; F464-W544 HydrophobicContact CZ-CZ3 4.43Å; L468-W544 HydrophobicContact CD1-CH2 4.49Å; L468-W544 HydrophobicContact CD1-CZ3 3.86Å; L530-W544 HydrophobicContact CD2-CE3 3.89Å; L530-W544 HydrophobicContact CD2-CZ3 3.9Å; L533-W544 HydrophobicContact CB-CB 4.46Å; L533-W544 HydrophobicContact CB-CD2 3.87Å; L533-W544 HydrophobicContact CB-CG 3.78Å; L533-W544 HydrophobicContact CD1-CD2 3.91Å; L533-W544 HydrophobicContact CD1-CE3 3.94Å; L533-W544 HydrophobicContact CD1-CH2 3.87Å; L533-W544 HydrophobicContact CD1-CZ2 3.84Å; L533-W544 HydrophobicContact CD1-CZ3 3.9Å; T534-W544 HydrophobicContact CG2-CB 3.44Å; T534-W544 VanDerWaalsContact CG2-CB 3.44Å; G541-W544 WeakPolarHBondContact O-CB 3.48Å; G541-W544 PolarHBondContact O-N 3.44Å; C542-W544 PolarHBondContact O-N 3.48Å; W544-L546 PolarHBondContact O-N 2.95Å; W544-I547 HydrophobicContact CD2-CD1 4.02Å; W544-I547 HydrophobicContact CE3-CB 4.08Å; W544-I547 HydrophobicContact CE3-CD1 3.44Å; W544-I547 VanDerWaalsContact CE3-CD1 3.44Å; W544-I547 HydrophobicContact CE3-CG1 4.31Å; W544-I547 HydrophobicContact CE3-CG2 4.16Å; W544-I547 HydrophobicContact CH2-CD1 3.94Å; W544-I547 HydrophobicContact CZ2-CD1 4.44Å; W544-I547 HydrophobicContact CZ3-CB 4.44Å; W544-I547 HydrophobicContact CZ3-CD1 3.42Å; W544-I547 VanDerWaalsContact CZ3-CD1 3.42Å; W544-I547 HydrophobicContact CZ3-CG1 4.5Å; W544-I547 HydrophobicContact CZ3-CG2 4.12Å; W544-I547 PolarHBondContact O-N 3.36Å; W544-I547 VanDerWaalsContact O-N 3.1Å; W544-I548 WeakPolarHBondContact O-CG1 3.37Å; W544-I548 PolarHBondContact O-N 3.14Å
545W91.9Very high82.9Confident9 Ų927.4 Ų27.43%0.03414%0.14CC..Hα-helixtrans-60.2-33.9171.1-65.3122.6000112.3V531 T534 C542 L543 I548 D549 I582 C597 L598 M601V531-W545 HydrophobicContact CG1-CH2 4.34Å; V531-W545 HydrophobicContact CG2-CH2 4.37Å; V531-W545 HydrophobicContact CG2-CZ3 4.28Å; T534-W545 HydrophobicContact CG2-CD2 3.59Å; T534-W545 HydrophobicContact CG2-CE3 3.86Å; T534-W545 HydrophobicContact CG2-CG 4.05Å; T534-W545 HydrophobicContact CG2-CH2 4.19Å; T534-W545 HydrophobicContact CG2-CZ2 3.95Å; T534-W545 HydrophobicContact CG2-CZ3 4.13Å; T534-W545 WeakPolarHBondContact OG1-CZ2 3.34Å; C542-W545 WeakPolarHBondContact O-CB 3.43Å; C542-W545 PolarHBondContact O-N 3.44Å; C542-W545 VanDerWaalsContact O-N 3.13Å; L543-W545 PolarHBondContact O-N 3.43Å; W545-I548 HydrophobicContact CE3-CD1 3.68Å; W545-I548 HydrophobicContact CZ3-CD1 3.86Å; W545-I548 PolarHBondContact O-N 3.37Å; W545-D549 PolarHBondContact O-N 2.85Å; W545-I582 HydrophobicContact CH2-CB 4.4Å; W545-I582 HydrophobicContact CH2-CG2 4Å; W545-I582 HydrophobicContact CZ3-CG2 3.75Å; W545-C597 HydrophobicContact CB-CB 4.08Å; W545-L598 HydrophobicContact CD2-CD1 3.87Å; W545-L598 HydrophobicContact CE3-CD1 4.11Å; W545-L598 HydrophobicContact CG-CB 4.45Å; W545-L598 HydrophobicContact CG-CD1 4.4Å; W545-L598 HydrophobicContact CH2-CD1 4.27Å; W545-L598 HydrophobicContact CZ2-CD1 4.03Å; W545-L598 HydrophobicContact CZ3-CD1 4.32Å; W545-M601 HydrophobicContact CB-CB 4.32Å; W545-M601 HydrophobicContact CD2-CE 4.41Å; W545-M601 HydrophobicContact CE3-CE 3.43Å; W545-M601 VanDerWaalsContact CE3-CE 3.43Å; W545-M601 HydrophobicContact CE3-CG 4.42Å; W545-M601 HydrophobicContact CZ3-CE 3.51Å; W545-M601 WeakPolarHBondContact O-CB 3.49Å
546L91.6Very high83Confident0 Ų023.7 Ų23.70%012%0.12CC..Hα-helixtrans-72.8-31.5177.4-55.8176.3000111.6W305 V454 F461 L543 W544 D549 W550 C597 T600W305-L546 HydrophobicContact CH2-CB 4.05Å; W305-L546 HydrophobicContact CH2-CD1 3.84Å; W305-L546 HydrophobicContact CH2-CD2 3.9Å; W305-L546 HydrophobicContact CH2-CG 4.14Å; W305-L546 HydrophobicContact CZ2-CB 4.08Å; W305-L546 HydrophobicContact CZ2-CD1 4.48Å; W305-L546 HydrophobicContact CZ2-CD2 3.73Å; W305-L546 HydrophobicContact CZ2-CG 4.31Å; V454-L546 HydrophobicContact CG1-CD1 3.31Å; F461-L546 HydrophobicContact CB-CB 4.44Å; F461-L546 HydrophobicContact CD1-CB 4.16Å; F461-L546 HydrophobicContact CD2-CB 4.33Å; F461-L546 HydrophobicContact CD2-CD1 4.03Å; F461-L546 HydrophobicContact CE1-CD1 4.28Å; F461-L546 HydrophobicContact CE2-CD1 3.65Å; F461-L546 HydrophobicContact CG-CB 4.06Å; F461-L546 HydrophobicContact CG-CD1 4.48Å; F461-L546 HydrophobicContact CZ-CD1 3.8Å; L543-L546 HydrophobicContact CD2-CD1 4.12Å; L543-L546 WeakPolarHBondContact O-CB 3.08Å; L543-L546 PolarHBondContact O-N 3.46Å; W544-L546 PolarHBondContact O-N 2.95Å; L546-D549 WeakPolarHBondContact O-CB 3.41Å; L546-W550 PolarHBondContact O-N 2.86Å; L546-C597 HydrophobicContact CD2-CB 4.05Å; L546-C597 HydrophobicContact CG-CB 4.14Å; L546-T600 HydrophobicContact CD2-CG2 4.2Å
547I91.7Very high83.3Confident0 Ų022.6 Ų22.60%011%0.113CC..Hα-helixtrans-69-45.9173.3-66.4172.7000109.1F435 F461 F464 A465 L468 W544 D549 W550 V551F435-I547 HydrophobicContact CD2-CD1 4.37Å; F435-I547 HydrophobicContact CE2-CD1 4.03Å; F461-I547 HydrophobicContact CD1-CG1 3.98Å; F464-I547 HydrophobicContact CD1-CD1 3.54Å; F464-I547 HydrophobicContact CD1-CG1 4.46Å; F464-I547 HydrophobicContact CE1-CD1 3.81Å; F464-I547 HydrophobicContact CG-CD1 4.12Å; A465-I547 HydrophobicContact CB-CG2 4.1Å; L468-I547 HydrophobicContact CD1-CG2 3.48Å; L468-I547 VanDerWaalsContact CD1-CG2 3.48Å; W544-I547 HydrophobicContact CD2-CD1 4.02Å; W544-I547 HydrophobicContact CE3-CB 4.08Å; W544-I547 HydrophobicContact CE3-CD1 3.44Å; W544-I547 VanDerWaalsContact CE3-CD1 3.44Å; W544-I547 HydrophobicContact CE3-CG1 4.31Å; W544-I547 HydrophobicContact CE3-CG2 4.16Å; W544-I547 HydrophobicContact CH2-CD1 3.94Å; W544-I547 HydrophobicContact CZ2-CD1 4.44Å; W544-I547 HydrophobicContact CZ3-CB 4.44Å; W544-I547 HydrophobicContact CZ3-CD1 3.42Å; W544-I547 VanDerWaalsContact CZ3-CD1 3.42Å; W544-I547 HydrophobicContact CZ3-CG1 4.5Å; W544-I547 HydrophobicContact CZ3-CG2 4.12Å; W544-I547 PolarHBondContact O-N 3.36Å; W544-I547 VanDerWaalsContact O-N 3.1Å; I547-D549 VanDerWaalsContact C-N 3.33Å; I547-D549 PolarHBondContact O-N 3.32Å; I547-W550 PolarHBondContact O-N 3.43Å; I547-W550 VanDerWaalsContact O-N 3.11Å; I547-V551 HydrophobicContact CG2-CG2 4.33Å; I547-V551 WeakPolarHBondContact O-CG2 3.22Å; I547-V551 PolarHBondContact O-N 3.38Å
548I91.1Very high84.4Confident0 Ų014.4 Ų14.40%07%0.07CC..Hα-helixtrans-57-44.7174.8-67.2165.6000111.2W527 L530 V531 T534 W544 W545 W550 V551 I552 L578 M601W527-I548 HydrophobicContact CZ3-CG2 4.02Å; L530-I548 HydrophobicContact CB-CD1 3.94Å; L530-I548 HydrophobicContact CB-CG1 3.85Å; L530-I548 HydrophobicContact CD1-CG1 4.02Å; L530-I548 HydrophobicContact CG-CG1 4.48Å; V531-I548 HydrophobicContact CG2-CD1 4.27Å; T534-I548 HydrophobicContact CG2-CD1 3.77Å; W544-I548 WeakPolarHBondContact O-CG1 3.37Å; W544-I548 PolarHBondContact O-N 3.14Å; W545-I548 HydrophobicContact CE3-CD1 3.68Å; W545-I548 HydrophobicContact CZ3-CD1 3.86Å; W545-I548 PolarHBondContact O-N 3.37Å; I548-W550 VanDerWaalsContact C-N 3.27Å; I548-W550 PolarHBondContact O-N 2.88Å; I548-V551 PolarHBondContact O-N 3.33Å; I548-I552 HydrophobicContact CG2-CD1 3.83Å; I548-I552 HydrophobicContact CG2-CG1 4.37Å; I548-I552 WeakPolarHBondContact O-CD1 3.46Å; I548-I552 VanDerWaalsContact O-CG1 3.29Å; I548-I552 WeakPolarHBondContact O-CG1 3.34Å; I548-I552 PolarHBondContact O-N 3.46Å; I548-I552 VanDerWaalsContact O-N 3.09Å; I548-L578 HydrophobicContact CG2-CD1 4.4Å; I548-L578 HydrophobicContact CG2-CD2 4.17Å; I548-M601 HydrophobicContact CB-CG 4.16Å; I548-M601 HydrophobicContact CG2-CG 3.67Å; I548-M601 HydrophobicContact CG2-SD 4.14Å
549D87.8Confident84.8Confident0 Ų011.1 Ų11.10%05%0.05CC..Hα-helixtrans-49-49.3173.6172.145.8000111.6W305 W545 L546 I547 R553 M601 T604W305-D549 PolarHBondContact NE1-OD2 3.18Å; W545-D549 PolarHBondContact O-N 2.85Å; L546-D549 WeakPolarHBondContact O-CB 3.41Å; I547-D549 VanDerWaalsContact C-N 3.33Å; I547-D549 PolarHBondContact O-N 3.32Å; D549-R553 WeakPolarHBondContact O-CD 3.25Å; D549-R553 VanDerWaalsContact O-CG 3.26Å; D549-R553 WeakPolarHBondContact O-CG 3.33Å; D549-R553 PolarHBondContact O-N 3.31Å; D549-R553 IonicContact OD1-CZ 3.43Å; D549-R553 IonicContact OD1-NE 2.71Å; D549-R553 PolarHBondContact OD1-NE 3.27Å; D549-R553 IonicContact OD1-NH2 3.35Å; D549-R553 IonicContact OD2-NE 2.78Å; D549-R553 PolarHBondContact OD2-NE 3.35Å; D549-M601 HydrophobicContact CB-CB 4.15Å; D549-M601 HydrophobicContact CB-CG 4.37Å; D549-T604 WeakPolarHBondContact OD1-CB 3.49Å; D549-T604 WeakPolarHBondContact OD1-CG2 2.95Å; D549-T604 PolarHBondContact OD1-OG1 2.94Å
550W88.6Confident84.8Confident2 Ų25.7 Ų5.71%0.0083%0.027CC..Hα-helixtrans-70.7-39.9179.5-79.8108.2000114W305 T366 K458 A465 L546 I547 I548 I552 R553 F554W305-W550 AromaticContact CZ2-NE1 3.61Å; T366-W550 VanDerWaalsContact CB-CZ3 3.43Å; T366-W550 HydrophobicContact CG2-CE3 4.39Å; T366-W550 HydrophobicContact CG2-CH2 4.38Å; T366-W550 HydrophobicContact CG2-CZ3 3.68Å; K458-W550 HydrophobicContact CD-CZ2 4.11Å; K458-W550 HydrophobicContact CG-CZ2 3.65Å; A465-W550 HydrophobicContact CB-CB 3.36Å; A465-W550 HydrophobicContact CB-CG 4.49Å; L546-W550 PolarHBondContact O-N 2.86Å; I547-W550 PolarHBondContact O-N 3.43Å; I547-W550 VanDerWaalsContact O-N 3.11Å; I548-W550 VanDerWaalsContact C-N 3.27Å; I548-W550 PolarHBondContact O-N 2.88Å; W550-I552 VanDerWaalsContact C-N 3.33Å; W550-I552 PolarHBondContact O-N 3.18Å; W550-R553 WeakPolarHBondContact O-CB 3.33Å; W550-R553 PolarHBondContact O-N 2.86Å; W550-F554 HydrophobicContact CB-CE2 4.01Å; W550-F554 HydrophobicContact CE3-CE1 4.15Å; W550-F554 HydrophobicContact CE3-CE2 4.16Å; W550-F554 AromaticContact CE3-CZ 3.69Å; W550-F554 HydrophobicContact CE3-CZ 3.69Å; W550-F554 HydrophobicContact CZ3-CE1 4.43Å; W550-F554 HydrophobicContact CZ3-CZ 4.27Å; W550-F554 WeakPolarHBondContact O-CD2 3.41Å; W550-F554 WeakPolarHBondContact O-CG 3.26Å; W550-F554 PolarHBondContact O-N 2.99Å
551V89.3Confident84.1Confident0 Ų04.9 Ų4.90%02%0.024CC..Hα-helixtrans-55.3-50.1176.4170.40000110.4A465 V469 L526 W527 L530 I547 I548 R553 F554 M555A465-V551 HydrophobicContact CB-CG2 3.82Å; V469-V551 HydrophobicContact CG2-CB 4.21Å; V469-V551 HydrophobicContact CG2-CG1 3.77Å; V469-V551 HydrophobicContact CG2-CG2 3.93Å; L526-V551 HydrophobicContact CD2-CG1 3.97Å; W527-V551 HydrophobicContact CH2-CB 4.37Å; W527-V551 HydrophobicContact CH2-CG1 3.58Å; W527-V551 HydrophobicContact CZ3-CB 4.37Å; W527-V551 HydrophobicContact CZ3-CG1 3.82Å; L530-V551 HydrophobicContact CD1-CG2 4.39Å; I547-V551 HydrophobicContact CG2-CG2 4.33Å; I547-V551 WeakPolarHBondContact O-CG2 3.22Å; I547-V551 PolarHBondContact O-N 3.38Å; I548-V551 PolarHBondContact O-N 3.33Å; V551-R553 VanDerWaalsContact C-N 3.31Å; V551-R553 PolarHBondContact O-N 3.5Å; V551-F554 PolarHBondContact O-N 3.43Å; V551-M555 HydrophobicContact CG1-SD 4.03Å; V551-M555 WeakPolarHBondContact O-CG 3.3Å; V551-M555 PolarHBondContact O-N 2.78Å
552I84.9Confident83.4Confident4 Ų45.3 Ų5.32%0.0213%0.025CC..Hα-helixtrans-65.3-37.4-178.4-51.7155.5000110.7W527 I548 W550 F554 M555 W556 L578 M601 L605 L608W527-I552 HydrophobicContact CH2-CG1 3.49Å; W527-I552 VanDerWaalsContact CH2-CG1 3.49Å; W527-I552 HydrophobicContact CZ2-CG1 4.31Å; W527-I552 HydrophobicContact CZ3-CG1 4.07Å; I548-I552 HydrophobicContact CG2-CD1 3.83Å; I548-I552 HydrophobicContact CG2-CG1 4.37Å; I548-I552 WeakPolarHBondContact O-CD1 3.46Å; I548-I552 VanDerWaalsContact O-CG1 3.29Å; I548-I552 WeakPolarHBondContact O-CG1 3.34Å; I548-I552 PolarHBondContact O-N 3.46Å; I548-I552 VanDerWaalsContact O-N 3.09Å; W550-I552 VanDerWaalsContact C-N 3.33Å; W550-I552 PolarHBondContact O-N 3.18Å; I552-F554 PolarHBondContact O-N 2.66Å; I552-M555 PolarHBondContact O-N 3.26Å; I552-W556 WeakPolarHBondContact O-CB 3.45Å; I552-W556 PolarHBondContact O-N 2.95Å; I552-L578 HydrophobicContact CD1-CD2 3.26Å; I552-L578 HydrophobicContact CG1-CD2 3.83Å; I552-M601 HydrophobicContact CD1-CG 4.42Å; I552-M601 HydrophobicContact CD1-SD 4.22Å; I552-L605 HydrophobicContact CD1-CD1 4.33Å; I552-L608 HydrophobicContact CB-CD1 4.3Å; I552-L608 HydrophobicContact CG2-CD1 3.43Å; I552-L608 VanDerWaalsContact CG2-CD1 3.43Å
553R82.8Confident82.8Confident20 Ų207.6 Ų7.68%0.0753%0.032CC..Hα-helixtrans-60.4-43.7174.8-71165.9179.5-83.2-1.5112T366 D549 W550 V551 W556 Q557 T604T366-R553 HydrophobicContact CG2-CB 3.85Å; T366-R553 HydrophobicContact CG2-CG 4.39Å; D549-R553 WeakPolarHBondContact O-CD 3.25Å; D549-R553 VanDerWaalsContact O-CG 3.26Å; D549-R553 WeakPolarHBondContact O-CG 3.33Å; D549-R553 PolarHBondContact O-N 3.31Å; D549-R553 IonicContact OD1-CZ 3.43Å; D549-R553 IonicContact OD1-NE 2.71Å; D549-R553 PolarHBondContact OD1-NE 3.27Å; D549-R553 IonicContact OD1-NH2 3.35Å; D549-R553 IonicContact OD2-NE 2.78Å; D549-R553 PolarHBondContact OD2-NE 3.35Å; W550-R553 WeakPolarHBondContact O-CB 3.33Å; W550-R553 PolarHBondContact O-N 2.86Å; V551-R553 VanDerWaalsContact C-N 3.31Å; V551-R553 PolarHBondContact O-N 3.5Å; R553-W556 PolarHBondContact O-N 2.89Å; R553-Q557 WeakPolarHBondContact O-CG 3Å; R553-Q557 PolarHBondContact O-N 2.65Å; R553-T604 HydrophobicContact CG-CG2 3.62Å; R553-T604 PolarHBondContact NE-OG1 2.93Å; R553-T604 PolarHBondContact NH2-OG1 3.14Å
554F82.5Confident81.7Confident3 Ų310.3 Ų10.31%0.0135%0.051CC..Hα-helixtrans-67.2-39.7176.7-63.7-49.2000112R399 V403 S462 A465 A466 W550 V551 I552 W556 Q557 N558R399-F554 HydrophobicContact CG-CE1 4.36Å; R399-F554 HydrophobicContact CG-CZ 4.04Å; V403-F554 HydrophobicContact CG1-CD1 4.47Å; V403-F554 HydrophobicContact CG2-CD1 3.47Å; V403-F554 VanDerWaalsContact CG2-CD1 3.47Å; V403-F554 HydrophobicContact CG2-CE1 3.57Å; V403-F554 HydrophobicContact CG2-CG 4.11Å; V403-F554 HydrophobicContact CG2-CZ 4.22Å; S462-F554 WeakPolarHBondContact O-CE2 3.5Å; S462-F554 WeakPolarHBondContact O-CZ 3.44Å; A465-F554 HydrophobicContact CB-CD2 4.2Å; A465-F554 HydrophobicContact CB-CE2 3.79Å; A466-F554 HydrophobicContact CB-CD2 4.4Å; A466-F554 HydrophobicContact CB-CE2 3.86Å; A466-F554 HydrophobicContact CB-CZ 4.12Å; W550-F554 HydrophobicContact CB-CE2 4.01Å; W550-F554 HydrophobicContact CE3-CE1 4.15Å; W550-F554 HydrophobicContact CE3-CE2 4.16Å; W550-F554 AromaticContact CE3-CZ 3.69Å; W550-F554 HydrophobicContact CE3-CZ 3.69Å; W550-F554 HydrophobicContact CZ3-CE1 4.43Å; W550-F554 HydrophobicContact CZ3-CZ 4.27Å; W550-F554 WeakPolarHBondContact O-CD2 3.41Å; W550-F554 WeakPolarHBondContact O-CG 3.26Å; W550-F554 PolarHBondContact O-N 2.99Å; V551-F554 PolarHBondContact O-N 3.43Å; I552-F554 PolarHBondContact O-N 2.66Å; F554-W556 VanDerWaalsContact C-N 3.32Å; F554-W556 PolarHBondContact O-N 3.17Å; F554-Q557 PolarHBondContact O-N 2.92Å; F554-N558 WeakPolarHBondContact O-CB 3.07Å; F554-N558 PolarHBondContact O-N 2.9Å
555M81.8Confident80.5Confident7 Ų713.8 Ų13.83%0.0347%0.068CC..Hα-helixtrans-61.9-41.6174.5-6817771.900111.6W527 V551 I552 N558 T559 L571 D574W527-M555 HydrophobicContact CH2-SD 3.82Å; W527-M555 HydrophobicContact CZ2-CE 4.2Å; W527-M555 HydrophobicContact CZ2-SD 3.54Å; W527-M555 VanDerWaalsContact CZ2-SD 3.54Å; V551-M555 HydrophobicContact CG1-SD 4.03Å; V551-M555 WeakPolarHBondContact O-CG 3.3Å; V551-M555 PolarHBondContact O-N 2.78Å; I552-M555 PolarHBondContact O-N 3.26Å; M555-N558 PolarHBondContact O-N 3.15Å; M555-T559 WeakPolarHBondContact O-CB 3.48Å; M555-T559 PolarHBondContact O-N 3.4Å; M555-T559 PolarHBondContact O-OG1 3.14Å; M555-L571 HydrophobicContact CB-CD1 3.68Å; M555-L571 HydrophobicContact CE-CD1 4.44Å; M555-D574 HydrophobicContact CE-CB 3.67Å; M555-D574 WeakPolarHBondContact CE-OD2 3.38Å
556W79.4Confident79.4Confident9 Ų916.4 Ų16.43%0.03410%0.097CC..Hα-helixtrans-65.2-45.9174.5175.171.8000113L298 H301 L365 I552 R553 F554 N558 T559 L560 L571 L608 Y611L298-W556 HydrophobicContact CD2-CH2 3.87Å; L298-W556 HydrophobicContact CD2-CZ2 4.28Å; H301-W556 AromaticContact CD2-CH2 3.99Å; H301-W556 AromaticContact CE1-CH2 3.78Å; H301-W556 AromaticContact NE2-CH2 3.23Å; H301-W556 WeakPolarHBondContact NE2-CH2 3.47Å; H301-W556 AromaticContact NE2-CZ2 3.62Å; L365-W556 HydrophobicContact CB-CH2 4.49Å; L365-W556 HydrophobicContact CB-CZ3 3.85Å; L365-W556 HydrophobicContact CD1-CE3 4.05Å; L365-W556 HydrophobicContact CD1-CH2 3.64Å; L365-W556 HydrophobicContact CD1-CZ2 4.43Å; L365-W556 HydrophobicContact CD1-CZ3 3.41Å; L365-W556 VanDerWaalsContact CD1-CZ3 3.41Å; L365-W556 HydrophobicContact CG-CH2 4.49Å; L365-W556 HydrophobicContact CG-CZ3 4.19Å; I552-W556 WeakPolarHBondContact O-CB 3.45Å; I552-W556 PolarHBondContact O-N 2.95Å; R553-W556 PolarHBondContact O-N 2.89Å; F554-W556 VanDerWaalsContact C-N 3.32Å; F554-W556 PolarHBondContact O-N 3.17Å; W556-N558 VanDerWaalsContact C-N 3.3Å; W556-N558 PolarHBondContact O-N 3.39Å; W556-T559 VanDerWaalsContact O-CB 3.29Å; W556-T559 WeakPolarHBondContact O-CB 3.34Å; W556-T559 PolarHBondContact O-N 2.89Å; W556-T559 VanDerWaalsContact O-N 3.13Å; W556-L560 HydrophobicContact CD2-CD1 3.95Å; W556-L560 HydrophobicContact CD2-CG 4.48Å; W556-L560 VanDerWaalsContact CE2-CD1 3.48Å; W556-L560 HydrophobicContact CE3-CD1 4.27Å; W556-L560 HydrophobicContact CH2-CD1 3.81Å; W556-L560 HydrophobicContact CZ2-CD1 3.43Å; W556-L560 VanDerWaalsContact CZ2-CD1 3.43Å; W556-L560 HydrophobicContact CZ2-CG 4.45Å; W556-L560 HydrophobicContact CZ3-CD1 4.21Å; W556-L560 WeakPolarHBondContact O-CG 3.43Å; W556-L560 PolarHBondContact O-N 3.42Å; W556-L571 HydrophobicContact CB-CD2 3.65Å; W556-L571 HydrophobicContact CG-CD2 4.05Å; W556-L608 HydrophobicContact CB-CD1 3.94Å; W556-L608 HydrophobicContact CB-CD2 3.85Å; W556-L608 HydrophobicContact CD2-CD2 3.41Å; W556-L608 VanDerWaalsContact CD2-CD2 3.41Å; W556-L608 HydrophobicContact CE3-CD2 3.98Å; W556-L608 HydrophobicContact CG-CD1 4.36Å; W556-L608 HydrophobicContact CG-CD2 3.34Å; W556-L608 HydrophobicContact CG-CG 4.42Å; W556-L608 HydrophobicContact CZ2-CD2 4.38Å; W556-Y611 HydrophobicContact CZ2-CD1 4.48Å; W556-Y611 HydrophobicContact CZ2-CD2 4.2Å; W556-Y611 HydrophobicContact CZ2-CE1 4.47Å; W556-Y611 HydrophobicContact CZ2-CE2 4.17Å; W556-Y611 HydrophobicContact CZ2-CG 4.36Å; W556-Y611 AromaticContact NE1-CD1 3.2Å; W556-Y611 AromaticContact NE1-CE1 3.4Å; W556-Y611 AromaticContact NE1-CG 3.75Å
557Q75.3Confident78.2Confident1 Ų120.5 Ų20.51%0.00512%0.119CC..Hα-helixtrans-54.3-49.3173.1-82.5169.7-42.900111.3F363 L365 T366 R553 F554 T559 L560 I561F363-Q557 PolarHBondContact O-NE2 3.45Å; L365-Q557 HydrophobicContact CB-CG 3.89Å; L365-Q557 HydrophobicContact CD1-CG 3.97Å; L365-Q557 HydrophobicContact CG-CG 4.3Å; T366-Q557 PolarHBondContact OG1-NE2 3.21Å; R553-Q557 WeakPolarHBondContact O-CG 3Å; R553-Q557 PolarHBondContact O-N 2.65Å; F554-Q557 PolarHBondContact O-N 2.92Å; Q557-T559 VanDerWaalsContact C-N 3.3Å; Q557-T559 PolarHBondContact O-N 2.85Å; Q557-L560 PolarHBondContact O-N 2.81Å; Q557-I561 WeakPolarHBondContact O-CG1 3.25Å; Q557-I561 PolarHBondContact O-N 2.94Å
558N76.8Confident77.1Confident4 Ų430.1 Ų30.12%0.02116%0.161CC..Hα-helixtrans-58.5-44.4177.3-168.432.6000111.5Y406 Y407 S410 F554 M555 W556 L560 I561 I562Y406-N558 HydrophobicContact CD1-CB 4.28Å; Y406-N558 HydrophobicContact CE1-CB 3.88Å; Y406-N558 VanDerWaalsContact CE1-ND2 3.29Å; Y406-N558 WeakPolarHBondContact CE1-ND2 3.41Å; Y407-N558 WeakPolarHBondContact CA-OD1 3.35Å; Y407-N558 VanDerWaalsContact CD2-OD1 3.31Å; Y407-N558 WeakPolarHBondContact CD2-OD1 3.23Å; S410-N558 WeakPolarHBondContact CB-ND2 3.23Å; S410-N558 PolarHBondContact OG-ND2 3.42Å; F554-N558 WeakPolarHBondContact O-CB 3.07Å; F554-N558 PolarHBondContact O-N 2.9Å; M555-N558 PolarHBondContact O-N 3.15Å; W556-N558 VanDerWaalsContact C-N 3.3Å; W556-N558 PolarHBondContact O-N 3.39Å; N558-L560 VanDerWaalsContact C-N 3.3Å; N558-L560 PolarHBondContact O-N 2.99Å; N558-I561 PolarHBondContact O-N 3.25Å; N558-I561 VanDerWaalsContact O-N 3.17Å; N558-I562 VanDerWaalsContact O-CG1 3.24Å; N558-I562 WeakPolarHBondContact O-CG1 3.3Å; N558-I562 PolarHBondContact O-N 3.22Å
559T76Confident76.1Confident0 Ų032.9 Ų32.90%017%0.172CC..Hα-helixtrans-56.4-43.1176.7-58.50000112.3M555 W556 Q557 I561 I562 R563 Y569 L571M555-T559 WeakPolarHBondContact O-CB 3.48Å; M555-T559 PolarHBondContact O-N 3.4Å; M555-T559 PolarHBondContact O-OG1 3.14Å; W556-T559 VanDerWaalsContact O-CB 3.29Å; W556-T559 WeakPolarHBondContact O-CB 3.34Å; W556-T559 PolarHBondContact O-N 2.89Å; W556-T559 VanDerWaalsContact O-N 3.13Å; Q557-T559 VanDerWaalsContact C-N 3.3Å; Q557-T559 PolarHBondContact O-N 2.85Å; T559-I561 VanDerWaalsContact C-N 3.34Å; T559-I561 PolarHBondContact O-N 3.21Å; T559-I562 PolarHBondContact O-N 3.46Å; T559-R563 HydrophobicContact CG2-CG 4.4Å; T559-R563 VanDerWaalsContact CG2-NE 3.35Å; T559-R563 WeakPolarHBondContact O-CB 3.33Å; T559-R563 VanDerWaalsContact O-CG 3.27Å; T559-R563 WeakPolarHBondContact O-CG 3.33Å; T559-R563 PolarHBondContact O-N 3.31Å; T559-Y569 HydrophobicContact CG2-CD1 3.79Å; T559-Y569 WeakPolarHBondContact OG1-CD1 3.38Å; T559-Y569 VanDerWaalsContact OG1-CE1 3.24Å; T559-Y569 WeakPolarHBondContact OG1-CE1 3.37Å; T559-L571 HydrophobicContact CG2-CB 3.99Å
560L71.9Confident75.4Confident22 Ų2236.6 Ų36.612%0.11519%0.189CC..Hα-helixtrans-65-39.1179.3-69.4179000112.6L365 W556 Q557 N558 S564 Y611L365-L560 HydrophobicContact CD1-CD1 3.22Å; W556-L560 HydrophobicContact CD2-CD1 3.95Å; W556-L560 HydrophobicContact CD2-CG 4.48Å; W556-L560 VanDerWaalsContact CE2-CD1 3.48Å; W556-L560 HydrophobicContact CE3-CD1 4.27Å; W556-L560 HydrophobicContact CH2-CD1 3.81Å; W556-L560 HydrophobicContact CZ2-CD1 3.43Å; W556-L560 VanDerWaalsContact CZ2-CD1 3.43Å; W556-L560 HydrophobicContact CZ2-CG 4.45Å; W556-L560 HydrophobicContact CZ3-CD1 4.21Å; W556-L560 WeakPolarHBondContact O-CG 3.43Å; W556-L560 PolarHBondContact O-N 3.42Å; Q557-L560 PolarHBondContact O-N 2.81Å; N558-L560 VanDerWaalsContact C-N 3.3Å; N558-L560 PolarHBondContact O-N 2.99Å; L560-S564 WeakPolarHBondContact O-CB 3.03Å; L560-S564 PolarHBondContact O-N 2.7Å; L560-Y611 HydrophobicContact CD2-CE1 3.64Å; L560-Y611 WeakPolarHBondContact CD2-OH 3.31Å
561I68.5Low75.1Confident1 Ų136.5 Ų36.51%0.00519%0.189CC..Hα-helixtrans-72.5-38.3177.4-47.9155.5000110.2Q362 F363 Y407 Q557 N558 T559 R563 S564 Q565Q362-I561 HydrophobicContact CB-CG1 3.63Å; F363-I561 HydrophobicContact CB-CD1 4.41Å; F363-I561 HydrophobicContact CD1-CD1 3.53Å; F363-I561 HydrophobicContact CD2-CD1 3.9Å; F363-I561 HydrophobicContact CE1-CD1 3.62Å; F363-I561 HydrophobicContact CE2-CD1 3.96Å; F363-I561 HydrophobicContact CE2-CG2 4.21Å; F363-I561 HydrophobicContact CG-CD1 3.68Å; F363-I561 HydrophobicContact CZ-CD1 3.84Å; F363-I561 HydrophobicContact CZ-CG2 4.47Å; Y407-I561 HydrophobicContact CD2-CB 3.93Å; Y407-I561 HydrophobicContact CD2-CD1 3.93Å; Y407-I561 HydrophobicContact CD2-CG2 3.87Å; Y407-I561 HydrophobicContact CE2-CB 3.62Å; Y407-I561 HydrophobicContact CE2-CD1 4.35Å; Y407-I561 HydrophobicContact CE2-CG2 3.15Å; Q557-I561 WeakPolarHBondContact O-CG1 3.25Å; Q557-I561 PolarHBondContact O-N 2.94Å; N558-I561 PolarHBondContact O-N 3.25Å; N558-I561 VanDerWaalsContact O-N 3.17Å; T559-I561 VanDerWaalsContact C-N 3.34Å; T559-I561 PolarHBondContact O-N 3.21Å; I561-R563 PolarHBondContact O-N 3.47Å; I561-S564 PolarHBondContact O-N 3.12Å; I561-S564 PolarHBondContact O-OG 3.11Å; I561-Q565 PolarHBondContact O-N 3.31Å
562I70.9Confident74.8Confident10 Ų1036.7 Ų36.75%0.05119%0.19CC..Hα-helixtrans-58.8-49.7174.8-65.3163.2000110.8F411 N558 T559 S564 Q565 D567 Y569F411-I562 HydrophobicContact CD2-CG1 4.06Å; F411-I562 HydrophobicContact CE2-CB 4.06Å; F411-I562 HydrophobicContact CE2-CG1 3.31Å; F411-I562 HydrophobicContact CE2-CG2 4.48Å; F411-I562 HydrophobicContact CZ-CB 4.06Å; F411-I562 HydrophobicContact CZ-CG1 3.83Å; F411-I562 HydrophobicContact CZ-CG2 4.2Å; N558-I562 VanDerWaalsContact O-CG1 3.24Å; N558-I562 WeakPolarHBondContact O-CG1 3.3Å; N558-I562 PolarHBondContact O-N 3.22Å; T559-I562 PolarHBondContact O-N 3.46Å; I562-S564 VanDerWaalsContact C-N 3.33Å; I562-S564 PolarHBondContact O-N 2.86Å; I562-Q565 PolarHBondContact O-N 3.15Å; I562-D567 HydrophobicContact CG2-CB 3.46Å; I562-D567 VanDerWaalsContact CG2-CB 3.46Å; I562-D567 PolarHBondContact O-N 2.93Å; I562-Y569 HydrophobicContact CD1-CD2 4.02Å; I562-Y569 HydrophobicContact CD1-CG 4.04Å
563R72.8Confident74.6Confident60 Ų6039.3 Ų39.323%0.22621%0.206CC..Hα-helixtrans-64.6-34.3179-71.4174.2-178.1168.32.1113.3T559 I561 Q565 G566 D567 Y569 E612T559-R563 HydrophobicContact CG2-CG 4.4Å; T559-R563 VanDerWaalsContact CG2-NE 3.35Å; T559-R563 WeakPolarHBondContact O-CB 3.33Å; T559-R563 VanDerWaalsContact O-CG 3.27Å; T559-R563 WeakPolarHBondContact O-CG 3.33Å; T559-R563 PolarHBondContact O-N 3.31Å; I561-R563 PolarHBondContact O-N 3.47Å; R563-Q565 PolarHBondContact O-N 3.48Å; R563-G566 PolarHBondContact O-N 3.34Å; R563-G566 VanDerWaalsContact O-N 3.16Å; R563-D567 WeakPolarHBondContact CA-O 3.08Å; R563-Y569 PolarHBondContact NE-O 3.12Å; R563-Y569 PolarHBondContact NH2-O 2.87Å; R563-E612 IonicContact CZ-OE1 2.94Å; R563-E612 IonicContact CZ-OE2 3.11Å; R563-E612 VanDerWaalsContact CZ-OE2 3.26Å; R563-E612 VanDerWaalsContact NH1-CD 3.31Å; R563-E612 IonicContact NH1-OE1 3.92Å; R563-E612 PolarHBondContact NH1-OE1 3.3Å; R563-E612 IonicContact NH1-OE2 2.8Å; R563-E612 PolarHBondContact NH1-OE2 3.23Å; R563-E612 IonicContact NH2-OE1 3.68Å; R563-E612 IonicContact NH2-OE2 3.69Å; R563-E612 PolarHBondContact NH2-OE2 2.98Å
564S67.8Low74.7Confident57 Ų5739 Ų3940%0.39921%0.206SC..Hα-helixtrans-68.7-20.3178.574.10000113.1Q362 L560 I561 I562Q362-S564 VanDerWaalsContact OE1-CB 3.29Å; Q362-S564 PolarHBondContact OE1-OG 2.94Å; L560-S564 WeakPolarHBondContact O-CB 3.03Å; L560-S564 PolarHBondContact O-N 2.7Å; I561-S564 PolarHBondContact O-N 3.12Å; I561-S564 PolarHBondContact O-OG 3.11Å; I562-S564 VanDerWaalsContact C-N 3.33Å; I562-S564 PolarHBondContact O-N 2.86Å
565Q68.2Low74.9Confident81 Ų8138.9 Ų38.938%0.37921%0.205SC..THydrogen-bonded Turntrans-92.50.1174.7-63.7-172.8-5.100113.8Y407 F411 I561 I562 R563Y407-Q565 PolarHBondContact OH-NE2 3.12Å; Y407-Q565 PolarHBondContact OH-OE1 3.12Å; F411-Q565 HydrophobicContact CE1-CB 4.07Å; F411-Q565 HydrophobicContact CZ-CB 3.96Å; F411-Q565 HydrophobicContact CZ-CG 4.19Å; I561-Q565 PolarHBondContact O-N 3.31Å; I562-Q565 PolarHBondContact O-N 3.15Å; R563-Q565 PolarHBondContact O-N 3.48Å
566G67.4Low75.2Confident64 Ų6439.2 Ų39.266%0.6621%0.207SC*.THydrogen-bonded Turntrans95.5-2.9176.500000115.1R563R563-G566 PolarHBondContact O-N 3.34Å; R563-G566 VanDerWaalsContact O-N 3.16Å
567D67.4Low75.5Confident86 Ų8639.8 Ų39.846%0.4621%0.214SC..  trans-83.7146.3178.6-77.4-25.1000111.9F411 I562 R563F411-D567 WeakPolarHBondContact CD1-OD2 3.5Å; F411-D567 HydrophobicContact CE1-CB 4.46Å; F411-D567 WeakPolarHBondContact CE1-OD2 3.14Å; I562-D567 HydrophobicContact CG2-CB 3.46Å; I562-D567 VanDerWaalsContact CG2-CB 3.46Å; I562-D567 PolarHBondContact O-N 2.93Å; R563-D567 WeakPolarHBondContact CA-O 3.08Å
568K67.9Low76.1Confident202 Ų20239.8 Ų39.888%0.87821%0.214SC*.  trans-92.1108.2178.4-67.8-173.4-179.7-177.10110.3
569Y70.2Confident76.7Confident57 Ų5739.7 Ų39.722%0.22421%0.213CC..  trans-114.9126.1164.8-173.5-87.2000110.4T559 I562 R563 L571 D574T559-Y569 HydrophobicContact CG2-CD1 3.79Å; T559-Y569 WeakPolarHBondContact OG1-CD1 3.38Å; T559-Y569 VanDerWaalsContact OG1-CE1 3.24Å; T559-Y569 WeakPolarHBondContact OG1-CE1 3.37Å; I562-Y569 HydrophobicContact CD1-CD2 4.02Å; I562-Y569 HydrophobicContact CD1-CG 4.04Å; R563-Y569 PolarHBondContact NE-O 3.12Å; R563-Y569 PolarHBondContact NH2-O 2.87Å; Y569-L571 HydrophobicContact CD1-CB 4.27Å; Y569-L571 HydrophobicContact CE1-CB 4.08Å; Y569-L571 HydrophobicContact CE1-CD1 4.26Å; Y569-D574 PolarHBondContact OH-OD2 3.12Å
570E73.3Confident77.2Confident78 Ų7843.7 Ų43.736%0.36423%0.231SC..  trans-102.575-176.9-67.3-171.1175.300111.7Y572 T573E570-Y572 PolarHBondContact O-N 3.44Å; E570-T573 HydrophobicContact CB-CG2 4.18Å; E570-T573 PolarHBondContact O-N 3.29Å; E570-T573 PolarHBondContact O-OG1 2.75Å
571L81.5Confident77.9Confident1 Ų144.4 Ų44.41%0.00523%0.234CC..Hα-helixtrans-51.7-29173.1-177.469.6000113.3M555 W556 T559 Y569 T573 D574 I575 E612M555-L571 HydrophobicContact CB-CD1 3.68Å; M555-L571 HydrophobicContact CE-CD1 4.44Å; W556-L571 HydrophobicContact CB-CD2 3.65Å; W556-L571 HydrophobicContact CG-CD2 4.05Å; T559-L571 HydrophobicContact CG2-CB 3.99Å; Y569-L571 HydrophobicContact CD1-CB 4.27Å; Y569-L571 HydrophobicContact CE1-CB 4.08Å; Y569-L571 HydrophobicContact CE1-CD1 4.26Å; L571-T573 PolarHBondContact O-N 3.47Å; L571-D574 WeakPolarHBondContact O-CB 3.21Å; L571-D574 PolarHBondContact O-N 2.82Å; L571-D574 VanDerWaalsContact O-N 3.08Å; L571-I575 HydrophobicContact CD2-CD1 4.09Å; L571-I575 HydrophobicContact CG-CD1 3.99Å; L571-I575 HydrophobicContact CG-CG1 4.27Å; L571-I575 WeakPolarHBondContact O-CG1 3.44Å; L571-I575 PolarHBondContact O-N 3.48Å; L571-E612 HydrophobicContact CD2-CG 4.18Å
572Y83Confident78.8Confident3 Ų344.4 Ų44.41%0.01223%0.234CC..Hα-helixtrans-53.7-38.1177.6-178-103.8000112.7E570 D574 I575 E576 L609 I618 H620 P622 F691E570-Y572 PolarHBondContact O-N 3.44Å; Y572-D574 PolarHBondContact O-N 2.85Å; Y572-I575 WeakPolarHBondContact O-CB 3.33Å; Y572-I575 PolarHBondContact O-N 2.86Å; Y572-E576 HydrophobicContact CD1-CG 4.21Å; Y572-E576 HydrophobicContact CE1-CG 3.71Å; Y572-E576 WeakPolarHBondContact CE1-OE1 3.17Å; Y572-E576 HydrophobicContact CE2-CG 4.32Å; Y572-E576 WeakPolarHBondContact O-CG 3.35Å; Y572-E576 PolarHBondContact O-N 3.05Å; Y572-E576 PolarHBondContact OH-OE1 2.88Å; Y572-L609 HydrophobicContact CD2-CD1 4.03Å; Y572-L609 HydrophobicContact CE2-CD1 3.64Å; Y572-I618 HydrophobicContact CD1-CD1 4.49Å; Y572-I618 HydrophobicContact CD1-CG1 3.92Å; Y572-I618 HydrophobicContact CD1-CG2 4.2Å; Y572-I618 HydrophobicContact CD2-CD1 3.5Å; Y572-I618 VanDerWaalsContact CD2-CD1 3.5Å; Y572-I618 HydrophobicContact CD2-CG1 3.62Å; Y572-I618 HydrophobicContact CE1-CD1 4.4Å; Y572-I618 HydrophobicContact CE1-CG1 4.14Å; Y572-I618 HydrophobicContact CE1-CG2 3.82Å; Y572-I618 HydrophobicContact CE2-CD1 3.37Å; Y572-I618 HydrophobicContact CE2-CG1 3.86Å; Y572-I618 HydrophobicContact CG-CD1 4.09Å; Y572-I618 HydrophobicContact CG-CG1 3.67Å; Y572-H620 AromaticContact CD1-CE1 3.69Å; Y572-H620 AromaticContact CE1-CE1 3.65Å; Y572-H620 AromaticContact CE1-NE2 3.71Å; Y572-P622 WeakPolarHBondContact OH-CB 2.96Å; Y572-P622 WeakPolarHBondContact OH-CG 3.46Å; Y572-F691 AromaticContact CE2-CE2 3.99Å; Y572-F691 HydrophobicContact CE2-CE2 3.99Å; Y572-F691 HydrophobicContact CE2-CZ 4.26Å; Y572-F691 VanDerWaalsContact OH-CE2 3.31Å; Y572-F691 WeakPolarHBondContact OH-CE2 3.4Å; Y572-F691 WeakPolarHBondContact OH-CZ 3.33Å
573T82.2Confident79.4Confident59 Ų5945.6 Ų45.636%0.36224%0.243SC..Hα-helixtrans-64.1-39.4177.660.70000112.5E570 L571 E576 A577E570-T573 HydrophobicContact CB-CG2 4.18Å; E570-T573 PolarHBondContact O-N 3.29Å; E570-T573 PolarHBondContact O-OG1 2.75Å; L571-T573 PolarHBondContact O-N 3.47Å; T573-E576 PolarHBondContact O-N 2.9Å; T573-A577 PolarHBondContact O-N 2.93Å
574D83.8Confident79.7Confident13 Ų1346.2 Ų46.27%0.0726%0.261CS..Hα-helixtrans-67.3-38.9175.2-62.1-54000111.8S523 M555 Y569 L571 Y572 A577 L578S523-D574 WeakPolarHBondContact CB-OD1 3.28Å; S523-D574 PolarHBondContact OG-OD1 3.34Å; M555-D574 HydrophobicContact CE-CB 3.67Å; M555-D574 WeakPolarHBondContact CE-OD2 3.38Å; Y569-D574 PolarHBondContact OH-OD2 3.12Å; L571-D574 WeakPolarHBondContact O-CB 3.21Å; L571-D574 PolarHBondContact O-N 2.82Å; L571-D574 VanDerWaalsContact O-N 3.08Å; Y572-D574 PolarHBondContact O-N 2.85Å; D574-A577 PolarHBondContact O-N 2.86Å; D574-L578 WeakPolarHBondContact O-CB 3.49Å; D574-L578 PolarHBondContact O-N 2.99Å
575I87.2Confident80.3Confident2 Ų244.1 Ų44.11%0.0125%0.246CC..Hα-helixtrans-63.1-44.6175.3-70.2171.5000110.5L571 Y572 L578 L579 L605 L608 L609 E612L571-I575 HydrophobicContact CD2-CD1 4.09Å; L571-I575 HydrophobicContact CG-CD1 3.99Å; L571-I575 HydrophobicContact CG-CG1 4.27Å; L571-I575 WeakPolarHBondContact O-CG1 3.44Å; L571-I575 PolarHBondContact O-N 3.48Å; Y572-I575 WeakPolarHBondContact O-CB 3.33Å; Y572-I575 PolarHBondContact O-N 2.86Å; I575-L578 PolarHBondContact O-N 3.38Å; I575-L579 HydrophobicContact CG2-CD1 4.06Å; I575-L579 WeakPolarHBondContact O-CB 3.23Å; I575-L579 WeakPolarHBondContact O-CG 3.4Å; I575-L579 PolarHBondContact O-N 3.12Å; I575-L605 HydrophobicContact CB-CD1 4.34Å; I575-L605 HydrophobicContact CG1-CD1 4.18Å; I575-L605 HydrophobicContact CG2-CD1 3.81Å; I575-L608 HydrophobicContact CD1-CB 4.22Å; I575-L609 HydrophobicContact CG2-CB 4.31Å; I575-L609 HydrophobicContact CG2-CD1 4.15Å; I575-E612 HydrophobicContact CD1-CG 4.03Å
576E87Confident81Confident13 Ų1340.9 Ų40.96%0.06123%0.232CC..Hα-helixtrans-63.1-43.9176.4-72.9-166.8144.800112.1Y572 T573 L578 L579 K580 H620 P622 V626Y572-E576 HydrophobicContact CD1-CG 4.21Å; Y572-E576 HydrophobicContact CE1-CG 3.71Å; Y572-E576 WeakPolarHBondContact CE1-OE1 3.17Å; Y572-E576 HydrophobicContact CE2-CG 4.32Å; Y572-E576 WeakPolarHBondContact O-CG 3.35Å; Y572-E576 PolarHBondContact O-N 3.05Å; Y572-E576 PolarHBondContact OH-OE1 2.88Å; T573-E576 PolarHBondContact O-N 2.9Å; E576-L578 VanDerWaalsContact C-N 3.33Å; E576-L578 PolarHBondContact O-N 2.94Å; E576-L579 PolarHBondContact O-N 3.27Å; E576-K580 WeakPolarHBondContact O-CG 3.31Å; E576-K580 PolarHBondContact O-N 3.47Å; E576-H620 IonicContact OE1-NE2 3.52Å; E576-H620 IonicContact OE2-CD2 3.9Å; E576-H620 IonicContact OE2-CE1 3.42Å; E576-H620 IonicContact OE2-NE2 2.84Å; E576-H620 PolarHBondContact OE2-NE2 3.05Å; E576-P622 VanDerWaalsContact OE1-CA 3.24Å; E576-P622 WeakPolarHBondContact OE1-CA 3.47Å; E576-P622 VanDerWaalsContact OE1-CB 3.26Å; E576-P622 WeakPolarHBondContact OE1-CB 3.4Å; E576-V626 HydrophobicContact CB-CG2 3.95Å; E576-V626 HydrophobicContact CG-CG1 4.2Å; E576-V626 HydrophobicContact CG-CG2 4.19Å
577A86.2Confident81.7Confident22 Ų2244.7 Ų44.718%0.18223%0.231CC..Hα-helixtrans-59.2-46.9176.500000110.9T573 D574 K580 I581T573-A577 PolarHBondContact O-N 2.93Å; D574-A577 PolarHBondContact O-N 2.86Å; A577-K580 PolarHBondContact O-N 3.11Å; A577-I581 WeakPolarHBondContact O-CD1 3.17Å; A577-I581 VanDerWaalsContact O-CG1 3.27Å; A577-I581 WeakPolarHBondContact O-CG1 3.28Å; A577-I581 PolarHBondContact O-N 3.45Å; A577-I581 VanDerWaalsContact O-N 3.15Å
578L89.2Confident82.1Confident0 Ų042.8 Ų42.80%022%0.222CC..Hα-helixtrans-63-44.6177.3-178.963.3000112W527 V531 I548 I552 D574 I575 E576 K580 I581 I582 L605W527-L578 HydrophobicContact CB-CD1 4.39Å; W527-L578 HydrophobicContact CD2-CB 4.28Å; W527-L578 HydrophobicContact CD2-CD1 3.89Å; W527-L578 HydrophobicContact CE3-CD1 3.72Å; W527-L578 HydrophobicContact CE3-CD2 4.46Å; W527-L578 HydrophobicContact CG-CB 4.44Å; W527-L578 HydrophobicContact CG-CD1 4.2Å; W527-L578 HydrophobicContact CH2-CD2 4.37Å; W527-L578 HydrophobicContact CZ3-CD1 4.31Å; W527-L578 HydrophobicContact CZ3-CD2 4.3Å; V531-L578 HydrophobicContact CG2-CD1 4.43Å; I548-L578 HydrophobicContact CG2-CD1 4.4Å; I548-L578 HydrophobicContact CG2-CD2 4.17Å; I552-L578 HydrophobicContact CD1-CD2 3.26Å; I552-L578 HydrophobicContact CG1-CD2 3.83Å; D574-L578 WeakPolarHBondContact O-CB 3.49Å; D574-L578 PolarHBondContact O-N 2.99Å; I575-L578 PolarHBondContact O-N 3.38Å; E576-L578 VanDerWaalsContact C-N 3.33Å; E576-L578 PolarHBondContact O-N 2.94Å; L578-K580 VanDerWaalsContact C-N 3.29Å; L578-K580 PolarHBondContact O-N 3.34Å; L578-I581 PolarHBondContact O-N 3.27Å; L578-I581 VanDerWaalsContact O-N 3.14Å; L578-I582 HydrophobicContact CD1-CG2 3.61Å; L578-I582 HydrophobicContact CG-CG2 4.08Å; L578-I582 WeakPolarHBondContact O-CG1 3.47Å; L578-I582 WeakPolarHBondContact O-CG2 3.29Å; L578-I582 PolarHBondContact O-N 2.78Å; L578-L605 HydrophobicContact CD2-CD1 3.96Å; L578-L605 HydrophobicContact CD2-CD2 4.24Å
579L89.1Confident82.6Confident2 Ų236.4 Ų36.41%0.0120%0.197CC..Hα-helixtrans-56-43.1177.2-80170.9000112.1I575 E576 I582 S583 L605 L609 V626 A629 I633 F691I575-L579 HydrophobicContact CG2-CD1 4.06Å; I575-L579 WeakPolarHBondContact O-CB 3.23Å; I575-L579 WeakPolarHBondContact O-CG 3.4Å; I575-L579 PolarHBondContact O-N 3.12Å; E576-L579 PolarHBondContact O-N 3.27Å; L579-I582 HydrophobicContact CD2-CD1 4.31Å; L579-I582 WeakPolarHBondContact O-CG1 3.48Å; L579-S583 PolarHBondContact O-N 3.49Å; L579-L605 HydrophobicContact CD2-CD2 3.63Å; L579-L605 HydrophobicContact CD2-CG 4.4Å; L579-L605 HydrophobicContact CG-CD2 4.06Å; L579-L609 HydrophobicContact CD1-CD2 4.36Å; L579-V626 HydrophobicContact CB-CG1 4.32Å; L579-V626 HydrophobicContact CD1-CG1 3.8Å; L579-A629 HydrophobicContact CB-CB 4.38Å; L579-A629 VanDerWaalsContact O-CB 3.24Å; L579-A629 WeakPolarHBondContact O-CB 3.4Å; L579-I633 HydrophobicContact CD2-CD1 3.54Å; L579-F691 HydrophobicContact CD1-CE1 4.32Å
580K86.7Confident82.8Confident85 Ų8546 Ų4637%0.3723%0.233SC..Hα-helixtrans-60.4-48.3175.9-69.8174-172.8-179.90111.4E576 A577 L578 S583 S623 S625 V626E576-K580 WeakPolarHBondContact O-CG 3.31Å; E576-K580 PolarHBondContact O-N 3.47Å; A577-K580 PolarHBondContact O-N 3.11Å; L578-K580 VanDerWaalsContact C-N 3.29Å; L578-K580 PolarHBondContact O-N 3.34Å; K580-S583 PolarHBondContact O-N 2.89Å; K580-S583 PolarHBondContact O-OG 3.23Å; K580-S623 WeakPolarHBondContact CE-OG 3.26Å; K580-S623 PolarHBondContact NZ-OG 3.2Å; K580-S625 VanDerWaalsContact CE-OG 3.31Å; K580-S625 WeakPolarHBondContact CE-OG 3.24Å; K580-V626 HydrophobicContact CD-CG2 4.12Å; K580-V626 HydrophobicContact CG-CG2 3.7Å
581I85.7Confident83.1Confident37 Ų3745.8 Ų45.819%0.1923%0.234CC..Hα-helixtrans-68.4-39.4-174.5-63.7164.6000111.2W527 D528 V531 A577 L578 S583W527-I581 HydrophobicContact CB-CD1 3.37Å; W527-I581 HydrophobicContact CG-CD1 4.28Å; D528-I581 VanDerWaalsContact OD1-CD1 3.29Å; D528-I581 WeakPolarHBondContact OD1-CD1 2.95Å; D528-I581 WeakPolarHBondContact OD1-CG1 3.15Å; V531-I581 HydrophobicContact CB-CG2 3.77Å; V531-I581 HydrophobicContact CG1-CG2 3.97Å; V531-I581 HydrophobicContact CG2-CG2 3.71Å; A577-I581 WeakPolarHBondContact O-CD1 3.17Å; A577-I581 VanDerWaalsContact O-CG1 3.27Å; A577-I581 WeakPolarHBondContact O-CG1 3.28Å; A577-I581 PolarHBondContact O-N 3.45Å; A577-I581 VanDerWaalsContact O-N 3.15Å; L578-I581 PolarHBondContact O-N 3.27Å; L578-I581 VanDerWaalsContact O-N 3.14Å; I581-S583 PolarHBondContact O-N 3.49Å
582I86.9Confident83.2Confident0 Ų046.3 Ų46.30%024%0.238CC..Hα-helixtrans-76.8-19.9-177.469.1179.8000113.8V531 W545 L578 L579 A584 S585 V586 M601 L602 L605V531-I582 HydrophobicContact CG2-CG2 3.99Å; W545-I582 HydrophobicContact CH2-CB 4.4Å; W545-I582 HydrophobicContact CH2-CG2 4Å; W545-I582 HydrophobicContact CZ3-CG2 3.75Å; L578-I582 HydrophobicContact CD1-CG2 3.61Å; L578-I582 HydrophobicContact CG-CG2 4.08Å; L578-I582 WeakPolarHBondContact O-CG1 3.47Å; L578-I582 WeakPolarHBondContact O-CG2 3.29Å; L578-I582 PolarHBondContact O-N 2.78Å; L579-I582 HydrophobicContact CD2-CD1 4.31Å; L579-I582 WeakPolarHBondContact O-CG1 3.48Å; I582-A584 VanDerWaalsContact C-N 3.25Å; I582-A584 PolarHBondContact O-N 2.95Å; I582-A584 VanDerWaalsContact O-N 3.15Å; I582-S585 CarbonylContact O-C 3.58Å; I582-S585 WeakPolarHBondContact O-CA 3.17Å; I582-S585 WeakPolarHBondContact O-CB 3.31Å; I582-S585 PolarHBondContact O-N 3.4Å; I582-V586 HydrophobicContact CB-CG2 4.48Å; I582-V586 HydrophobicContact CD1-CG2 4.46Å; I582-V586 HydrophobicContact CG1-CG2 4.23Å; I582-V586 WeakPolarHBondContact O-CG2 3.45Å; I582-V586 PolarHBondContact O-N 3.26Å; I582-V586 VanDerWaalsContact O-N 3.12Å; I582-M601 HydrophobicContact CD1-CE 4.04Å; I582-M601 HydrophobicContact CG2-CE 4.27Å; I582-L602 HydrophobicContact CD1-CD2 3.59Å; I582-L605 HydrophobicContact CD1-CD2 3.68Å
583S83.4Confident83.3Confident35 Ų3546.4 Ų46.425%0.24524%0.239CC..G310 helixtrans-45.7-48.4-17761.20000112.7L579 K580 I581 S585 V586 E632L579-S583 PolarHBondContact O-N 3.49Å; K580-S583 PolarHBondContact O-N 2.89Å; K580-S583 PolarHBondContact O-OG 3.23Å; I581-S583 PolarHBondContact O-N 3.49Å; S583-S585 PolarHBondContact O-N 3.36Å; S583-S585 VanDerWaalsContact O-N 3.12Å; S583-V586 PolarHBondContact O-N 3.41Å; S583-E632 WeakPolarHBondContact CA-OE2 3.43Å; S583-E632 VanDerWaalsContact CB-OE2 3.31Å; S583-E632 WeakPolarHBondContact CB-OE2 3.39Å
584A78.7Confident83.5Confident74 Ų7444 Ų4461%0.61223%0.225SC*.G310 helixtrans-61.8-24.1178.400000114.5I582I582-A584 VanDerWaalsContact C-N 3.25Å; I582-A584 PolarHBondContact O-N 2.95Å; I582-A584 VanDerWaalsContact O-N 3.15Å
585S81.8Confident83.7Confident12 Ų1243.6 Ų43.68%0.08422%0.223CC..G310 helixtrans-98.6-12.8-175.4-51.80000113.5N535 I582 S583 K587N535-S585 PolarHBondContact ND2-OG 3.48Å; N535-S585 PolarHBondContact OD1-OG 3.16Å; I582-S585 CarbonylContact O-C 3.58Å; I582-S585 WeakPolarHBondContact O-CA 3.17Å; I582-S585 WeakPolarHBondContact O-CB 3.31Å; I582-S585 PolarHBondContact O-N 3.4Å; S583-S585 PolarHBondContact O-N 3.36Å; S583-S585 VanDerWaalsContact O-N 3.12Å; S585-K587 VanDerWaalsContact C-N 3.35Å; S585-K587 PolarHBondContact O-N 3.09Å
586V82.2Confident83.8Confident13 Ų1343.5 Ų43.58%0.07922%0.222CC..  trans-76.984-179.2179.40000110.1I582 S583 L602 I633 F636I582-V586 HydrophobicContact CB-CG2 4.48Å; I582-V586 HydrophobicContact CD1-CG2 4.46Å; I582-V586 HydrophobicContact CG1-CG2 4.23Å; I582-V586 WeakPolarHBondContact O-CG2 3.45Å; I582-V586 PolarHBondContact O-N 3.26Å; I582-V586 VanDerWaalsContact O-N 3.12Å; S583-V586 PolarHBondContact O-N 3.41Å; V586-L602 HydrophobicContact CG2-CD2 4.49Å; V586-I633 HydrophobicContact CG1-CG1 4.48Å; V586-I633 HydrophobicContact CG2-CG1 4.48Å; V586-F636 HydrophobicContact CG1-CB 3.47Å; V586-F636 VanDerWaalsContact CG1-CB 3.47Å; V586-F636 HydrophobicContact CG1-CD1 4.15Å; V586-F636 HydrophobicContact CG1-CD2 4.21Å; V586-F636 HydrophobicContact CG1-CG 3.69Å
587K82.8Confident83.9Confident144 Ų14442.9 Ų42.963%0.62622%0.219SC*.  trans-137.1148.2174.9-65.3179.4-174.8168.80110.5S585 N589S585-K587 VanDerWaalsContact C-N 3.35Å; S585-K587 PolarHBondContact O-N 3.09Å; K587-N589 PolarHBondContact O-N 3.15Å; K587-N589 VanDerWaalsContact O-N 3.11Å; K587-N589 PolarHBondContact O-ND2 3.47Å
588V76.1Confident84.2Confident46 Ų4641.8 Ų41.828%0.27921%0.211SC..  trans-68112.5173.4-178.10000108.9F636 L640 Q643V588-F636 HydrophobicContact CG2-CD2 3.7Å; V588-F636 HydrophobicContact CG2-CE2 4.02Å; V588-L640 HydrophobicContact CG1-CD1 3.97Å; V588-Q643 VanDerWaalsContact CG1-OE1 3.28Å
589N78.5Confident84.3Confident68 Ų6841.9 Ų41.936%0.36421%0.211SC..  trans-82.3152.3177.1-75.3-62.5000110.6K587 I591 A594 N595K587-N589 PolarHBondContact O-N 3.15Å; K587-N589 VanDerWaalsContact O-N 3.11Å; K587-N589 PolarHBondContact O-ND2 3.47Å; N589-I591 PolarHBondContact O-N 3.09Å; N589-A594 HydrophobicContact CB-CB 3.91Å; N589-N595 WeakPolarHBondContact CB-OD1 3.12Å; N589-N595 PolarHBondContact N-OD1 3.43Å; N589-N595 PolarHBondContact O-ND2 3.12Å
590R73.2Confident84.2Confident259 Ų25941.8 Ų41.898%0.97721%0.211SC*.SBendtrans-67.6-27.5172.5-66.5-176.2-179.6-178.50.8112.2
591I81Confident84.4Confident73 Ų7337.7 Ų37.737%0.37419%0.193SC..SBendtrans-85.2115.6-178.9-56.8173.4000108.7N589 L593 A594 N595N589-I591 PolarHBondContact O-N 3.09Å; I591-L593 HydrophobicContact CG2-CB 4.01Å; I591-L593 PolarHBondContact O-N 2.86Å; I591-A594 HydrophobicContact CB-CB 4.19Å; I591-A594 HydrophobicContact CG2-CB 4.47Å; I591-A594 WeakPolarHBondContact O-CB 3.43Å; I591-A594 PolarHBondContact O-N 3.38Å; I591-A594 VanDerWaalsContact O-N 3.07Å; I591-N595 PolarHBondContact O-N 2.91Å
592A82.2Confident84.7Confident12 Ų1236 Ų3610%0.09918%0.184CC..Hα-helixtrans-56.1-39.1179.200000112.5A594 N595 E596 L660A592-A594 VanDerWaalsContact C-N 3.32Å; A592-A594 PolarHBondContact O-N 2.65Å; A592-N595 WeakPolarHBondContact O-CB 3.4Å; A592-N595 PolarHBondContact O-N 3.44Å; A592-E596 VanDerWaalsContact O-CG 3.28Å; A592-E596 WeakPolarHBondContact O-CG 3.17Å; A592-E596 PolarHBondContact O-N 3.29Å; A592-L660 HydrophobicContact CB-CD1 4.3Å; A592-L660 HydrophobicContact CB-CD2 3.92Å
593L85.8Confident84.6Confident6 Ų636.4 Ų36.43%0.03119%0.186CC..Hα-helixtrans-59-41.3177.3-179.462.7000112.5C450 W451 V454 F540 I591 N595 E596 C597C450-L593 HydrophobicContact CB-CD2 4.44Å; W451-L593 HydrophobicContact CE3-CD1 3.78Å; W451-L593 HydrophobicContact CZ3-CD1 4.43Å; V454-L593 HydrophobicContact CB-CD1 4.47Å; V454-L593 HydrophobicContact CG2-CD1 4.19Å; F540-L593 HydrophobicContact CD1-CD2 3.94Å; F540-L593 HydrophobicContact CE1-CD2 3.93Å; I591-L593 HydrophobicContact CG2-CB 4.01Å; I591-L593 PolarHBondContact O-N 2.86Å; L593-N595 VanDerWaalsContact C-N 3.32Å; L593-N595 PolarHBondContact O-N 2.94Å; L593-E596 VanDerWaalsContact CA-OE2 3.31Å; L593-E596 WeakPolarHBondContact CA-OE2 3.35Å; L593-E596 PolarHBondContact O-N 3.42Å; L593-C597 PolarHBondContact O-N 2.93Å; L593-C597 PolarHBondContact O-SG 3.45Å
594A86.9Confident84.7Confident8 Ų835 Ų357%0.06618%0.176CC..Hα-helixtrans-64.6-40.3178.800000111.5C542 N589 I591 A592 L598C542-A594 HydrophobicContact CB-CB 3.7Å; N589-A594 HydrophobicContact CB-CB 3.91Å; I591-A594 HydrophobicContact CB-CB 4.19Å; I591-A594 HydrophobicContact CG2-CB 4.47Å; I591-A594 WeakPolarHBondContact O-CB 3.43Å; I591-A594 PolarHBondContact O-N 3.38Å; I591-A594 VanDerWaalsContact O-N 3.07Å; A592-A594 VanDerWaalsContact C-N 3.32Å; A592-A594 PolarHBondContact O-N 2.65Å; A594-L598 VanDerWaalsContact O-CB 3.31Å; A594-L598 WeakPolarHBondContact O-CB 3.29Å; A594-L598 PolarHBondContact O-N 3.07Å
595N88.1Confident85.2Confident4 Ų431.5 Ų31.52%0.02115%0.147CC..Hα-helixtrans-65.6-43.7174.1-63.3-27.7000111.5N589 I591 A592 L593 C597 L598 V599 L640N589-N595 WeakPolarHBondContact CB-OD1 3.12Å; N589-N595 PolarHBondContact N-OD1 3.43Å; N589-N595 PolarHBondContact O-ND2 3.12Å; I591-N595 PolarHBondContact O-N 2.91Å; A592-N595 WeakPolarHBondContact O-CB 3.4Å; A592-N595 PolarHBondContact O-N 3.44Å; L593-N595 VanDerWaalsContact C-N 3.32Å; L593-N595 PolarHBondContact O-N 2.94Å; N595-C597 PolarHBondContact O-N 3.16Å; N595-L598 PolarHBondContact O-N 3.3Å; N595-V599 VanDerWaalsContact O-CB 3.3Å; N595-V599 WeakPolarHBondContact O-CB 3.29Å; N595-V599 WeakPolarHBondContact O-CG2 3.41Å; N595-V599 PolarHBondContact O-N 3.5Å; N595-L640 HydrophobicContact CB-CD1 4.07Å; N595-L640 HydrophobicContact CB-CD2 4Å
596E88Confident85.4Confident0 Ų031 Ų310%014%0.144CC..Hα-helixtrans-58.9-45.1177.6-68.9165.4146.600111.7W451 A592 L593 T600 R664 H668 L671W451-E596 WeakPolarHBondContact CB-OE2 3.28Å; W451-E596 HydrophobicContact CD2-CB 4.03Å; W451-E596 HydrophobicContact CD2-CG 4.34Å; W451-E596 HydrophobicContact CE3-CB 3.61Å; W451-E596 HydrophobicContact CE3-CG 4.35Å; W451-E596 HydrophobicContact CH2-CB 4.04Å; W451-E596 HydrophobicContact CZ2-CB 4.42Å; W451-E596 HydrophobicContact CZ3-CB 3.62Å; A592-E596 VanDerWaalsContact O-CG 3.28Å; A592-E596 WeakPolarHBondContact O-CG 3.17Å; A592-E596 PolarHBondContact O-N 3.29Å; L593-E596 VanDerWaalsContact CA-OE2 3.31Å; L593-E596 WeakPolarHBondContact CA-OE2 3.35Å; L593-E596 PolarHBondContact O-N 3.42Å; E596-T600 WeakPolarHBondContact O-CB 3.31Å; E596-T600 PolarHBondContact O-N 3.3Å; E596-T600 VanDerWaalsContact O-N 3.12Å; E596-T600 PolarHBondContact O-OG1 2.93Å; E596-R664 IonicContact OE1-NE 3.26Å; E596-R664 PolarHBondContact OE1-NE 3.14Å; E596-R664 IonicContact OE1-NH2 3.87Å; E596-R664 IonicContact OE2-CZ 2.67Å; E596-R664 IonicContact OE2-NE 2.78Å; E596-R664 PolarHBondContact OE2-NE 2.88Å; E596-R664 IonicContact OE2-NH2 3.62Å; E596-R664 PolarHBondContact OE2-NH2 3.44Å; E596-H668 VanDerWaalsContact CG-ND1 3.29Å; E596-H668 WeakPolarHBondContact CG-ND1 3.19Å; E596-L671 HydrophobicContact CB-CD1 4.19Å; E596-L671 HydrophobicContact CG-CD1 4.24Å
597C89.9Confident85.3Confident0 Ų031.4 Ų31.40%015%0.146CC..Hα-helixtrans-65.4-47.3176.7-66.60000112.5C542 W545 L546 L593 N595 T600 M601C542-C597 WeakPolarHBondContact O-CB 3.22Å; W545-C597 HydrophobicContact CB-CB 4.08Å; L546-C597 HydrophobicContact CD2-CB 4.05Å; L546-C597 HydrophobicContact CG-CB 4.14Å; L593-C597 PolarHBondContact O-N 2.93Å; L593-C597 PolarHBondContact O-SG 3.45Å; N595-C597 PolarHBondContact O-N 3.16Å; C597-T600 PolarHBondContact O-N 2.92Å; C597-M601 PolarHBondContact O-N 3.3Å
598L91.7Very high85.2Confident0 Ų024.7 Ų24.70%012%0.117CC..Hα-helixtrans-63.8-45.9179.6178.460000111.7W545 A594 N595 T600 M601 L602 F636W545-L598 HydrophobicContact CD2-CD1 3.87Å; W545-L598 HydrophobicContact CE3-CD1 4.11Å; W545-L598 HydrophobicContact CG-CB 4.45Å; W545-L598 HydrophobicContact CG-CD1 4.4Å; W545-L598 HydrophobicContact CH2-CD1 4.27Å; W545-L598 HydrophobicContact CZ2-CD1 4.03Å; W545-L598 HydrophobicContact CZ3-CD1 4.32Å; A594-L598 VanDerWaalsContact O-CB 3.31Å; A594-L598 WeakPolarHBondContact O-CB 3.29Å; A594-L598 PolarHBondContact O-N 3.07Å; N595-L598 PolarHBondContact O-N 3.3Å; L598-T600 VanDerWaalsContact C-N 3.28Å; L598-T600 PolarHBondContact O-N 2.97Å; L598-M601 HydrophobicContact CD1-CE 3.92Å; L598-M601 PolarHBondContact O-N 3.49Å; L598-L602 HydrophobicContact CD1-CD1 4.02Å; L598-L602 HydrophobicContact CD1-CG 4Å; L598-L602 HydrophobicContact CD2-CD1 4.47Å; L598-L602 HydrophobicContact CG-CD1 3.84Å; L598-L602 HydrophobicContact CG-CG 4.26Å; L598-L602 WeakPolarHBondContact O-CB 3.49Å; L598-L602 WeakPolarHBondContact O-CG 3.41Å; L598-L602 PolarHBondContact O-N 3.22Å; L598-F636 HydrophobicContact CD2-CE1 4.33Å; L598-F636 HydrophobicContact CD2-CE2 3.96Å; L598-F636 HydrophobicContact CD2-CZ 3.75Å; L598-F636 HydrophobicContact CG-CE1 4.47Å; L598-F636 HydrophobicContact CG-CZ 4.18Å
599V90.7Very high85.6Confident1 Ų122.6 Ų22.61%0.00610%0.104CC..Hα-helixtrans-60.3-39177.5171.20000111.3N595 L602 H603 F636 L640 L671 V672 L675N595-V599 VanDerWaalsContact O-CB 3.3Å; N595-V599 WeakPolarHBondContact O-CB 3.29Å; N595-V599 WeakPolarHBondContact O-CG2 3.41Å; N595-V599 PolarHBondContact O-N 3.5Å; V599-L602 PolarHBondContact O-N 3.35Å; V599-H603 VanDerWaalsContact O-CB 3.23Å; V599-H603 WeakPolarHBondContact O-CB 3.27Å; V599-H603 PolarHBondContact O-N 3.09Å; V599-F636 HydrophobicContact CG2-CE1 3.69Å; V599-F636 HydrophobicContact CG2-CZ 3.88Å; V599-L640 HydrophobicContact CG2-CD2 3.48Å; V599-L640 VanDerWaalsContact CG2-CD2 3.48Å; V599-L671 HydrophobicContact CG1-CB 3.83Å; V599-L671 WeakPolarHBondContact CG1-O 3.46Å; V599-V672 HydrophobicContact CG2-CG2 4.46Å; V599-L675 HydrophobicContact CG1-CB 4.08Å; V599-L675 HydrophobicContact CG1-CD2 4.13Å; V599-L675 HydrophobicContact CG2-CD2 4.39Å
600T87.1Confident85.5Confident0 Ų021.1 Ų21.10%010%0.096CC..Hα-helixtrans-61-47.4177.9-610000111.3A304 W305 L546 E596 C597 L598 T604A304-T600 HydrophobicContact CB-CG2 3.85Å; W305-T600 HydrophobicContact CZ2-CG2 4.42Å; L546-T600 HydrophobicContact CD2-CG2 4.2Å; E596-T600 WeakPolarHBondContact O-CB 3.31Å; E596-T600 PolarHBondContact O-N 3.3Å; E596-T600 VanDerWaalsContact O-N 3.12Å; E596-T600 PolarHBondContact O-OG1 2.93Å; C597-T600 PolarHBondContact O-N 2.92Å; L598-T600 VanDerWaalsContact C-N 3.28Å; L598-T600 PolarHBondContact O-N 2.97Å; T600-T604 PolarHBondContact O-N 2.99Å; T600-T604 PolarHBondContact O-OG1 2.97Å
601M91.4Very high85.8Confident0 Ų011.3 Ų11.30%06%0.06CC..Hα-helixtrans-64-49.3176.1-176.2-75.9-72.600111.8W545 I548 D549 I552 I582 C597 L598 H603 T604 L605W545-M601 HydrophobicContact CB-CB 4.32Å; W545-M601 HydrophobicContact CD2-CE 4.41Å; W545-M601 HydrophobicContact CE3-CE 3.43Å; W545-M601 VanDerWaalsContact CE3-CE 3.43Å; W545-M601 HydrophobicContact CE3-CG 4.42Å; W545-M601 HydrophobicContact CZ3-CE 3.51Å; W545-M601 WeakPolarHBondContact O-CB 3.49Å; I548-M601 HydrophobicContact CB-CG 4.16Å; I548-M601 HydrophobicContact CG2-CG 3.67Å; I548-M601 HydrophobicContact CG2-SD 4.14Å; D549-M601 HydrophobicContact CB-CB 4.15Å; D549-M601 HydrophobicContact CB-CG 4.37Å; I552-M601 HydrophobicContact CD1-CG 4.42Å; I552-M601 HydrophobicContact CD1-SD 4.22Å; I582-M601 HydrophobicContact CD1-CE 4.04Å; I582-M601 HydrophobicContact CG2-CE 4.27Å; C597-M601 PolarHBondContact O-N 3.3Å; L598-M601 HydrophobicContact CD1-CE 3.92Å; L598-M601 PolarHBondContact O-N 3.49Å; M601-H603 VanDerWaalsContact C-N 3.3Å; M601-H603 PolarHBondContact O-N 3.49Å; M601-T604 WeakPolarHBondContact O-CB 3.03Å; M601-T604 PolarHBondContact O-N 2.95Å; M601-T604 VanDerWaalsContact O-N 3.16Å; M601-L605 PolarHBondContact O-N 3.25Å; M601-L605 HydrophobicContact SD-CB 4.32Å; M601-L605 HydrophobicContact SD-CD2 4.33Å
602L91.4Very high85.6Confident0 Ų07.9 Ų7.90%04%0.042CC..Hα-helixtrans-60.3-39.6-179.7-73.2177.3000112.2I582 V586 L598 V599 T604 L605 V606 I633 F636 L675I582-L602 HydrophobicContact CD1-CD2 3.59Å; V586-L602 HydrophobicContact CG2-CD2 4.49Å; L598-L602 HydrophobicContact CD1-CD1 4.02Å; L598-L602 HydrophobicContact CD1-CG 4Å; L598-L602 HydrophobicContact CD2-CD1 4.47Å; L598-L602 HydrophobicContact CG-CD1 3.84Å; L598-L602 HydrophobicContact CG-CG 4.26Å; L598-L602 WeakPolarHBondContact O-CB 3.49Å; L598-L602 WeakPolarHBondContact O-CG 3.41Å; L598-L602 PolarHBondContact O-N 3.22Å; V599-L602 PolarHBondContact O-N 3.35Å; L602-T604 VanDerWaalsContact C-N 3.35Å; L602-T604 PolarHBondContact O-N 3.2Å; L602-L605 HydrophobicContact CD2-CD2 4.44Å; L602-L605 PolarHBondContact O-N 3.12Å; L602-V606 WeakPolarHBondContact O-CB 3.47Å; L602-V606 VanDerWaalsContact O-CG2 3.28Å; L602-V606 WeakPolarHBondContact O-CG2 3.44Å; L602-V606 PolarHBondContact O-N 3.45Å; L602-I633 HydrophobicContact CD1-CG2 4.46Å; L602-I633 HydrophobicContact CD2-CD1 3.86Å; L602-I633 HydrophobicContact CD2-CG1 3.97Å; L602-F636 HydrophobicContact CD1-CD1 3.83Å; L602-F636 HydrophobicContact CD1-CE1 3.7Å; L602-L675 HydrophobicContact CB-CD1 4.09Å; L602-L675 HydrophobicContact CB-CD2 4.17Å; L602-L675 HydrophobicContact CD1-CD2 4.42Å
603H86.5Confident85.3Confident10 Ų107.7 Ų7.75%0.0464%0.039CC..Hα-helixtrans-59.2-48.6176.2172.5-93.2000110.8V599 M601 L605 V606 V607 N674 L675V599-H603 VanDerWaalsContact O-CB 3.23Å; V599-H603 WeakPolarHBondContact O-CB 3.27Å; V599-H603 PolarHBondContact O-N 3.09Å; M601-H603 VanDerWaalsContact C-N 3.3Å; M601-H603 PolarHBondContact O-N 3.49Å; H603-L605 PolarHBondContact O-N 3.32Å; H603-V606 PolarHBondContact O-N 2.83Å; H603-V607 WeakPolarHBondContact O-CB 3.26Å; H603-V607 VanDerWaalsContact O-CG2 3.23Å; H603-V607 WeakPolarHBondContact O-CG2 3.22Å; H603-V607 PolarHBondContact O-N 3.4Å; H603-N674 PolarHBondContact CD2-O 2.92Å; H603-L675 HydrophobicContact CB-CB 4.47Å; H603-L675 HydrophobicContact CB-CD1 4.39Å
604T84.3Confident84.6Confident4 Ų413.9 Ų13.93%0.0256%0.063CC..Hα-helixtrans-59.3-47.1175.6-57.60000111.6D549 R553 T600 M601 L602 V606 V607 L608D549-T604 WeakPolarHBondContact OD1-CB 3.49Å; D549-T604 WeakPolarHBondContact OD1-CG2 2.95Å; D549-T604 PolarHBondContact OD1-OG1 2.94Å; R553-T604 HydrophobicContact CG-CG2 3.62Å; R553-T604 PolarHBondContact NE-OG1 2.93Å; R553-T604 PolarHBondContact NH2-OG1 3.14Å; T600-T604 PolarHBondContact O-N 2.99Å; T600-T604 PolarHBondContact O-OG1 2.97Å; M601-T604 WeakPolarHBondContact O-CB 3.03Å; M601-T604 PolarHBondContact O-N 2.95Å; M601-T604 VanDerWaalsContact O-N 3.16Å; L602-T604 VanDerWaalsContact C-N 3.35Å; L602-T604 PolarHBondContact O-N 3.2Å; T604-V606 PolarHBondContact O-N 3.46Å; T604-V607 PolarHBondContact O-N 3.18Å; T604-L608 HydrophobicContact CG2-CD1 3.92Å; T604-L608 HydrophobicContact CG2-CG 4.31Å; T604-L608 WeakPolarHBondContact O-CB 3.48Å; T604-L608 VanDerWaalsContact O-CG 3.26Å; T604-L608 WeakPolarHBondContact O-CG 3.23Å; T604-L608 PolarHBondContact O-N 3.34Å
605L89Confident83.8Confident1 Ų117.7 Ų17.71%0.0058%0.08CC..Hα-helixtrans-57.1-47.2179-176.261.3000111.9I552 I575 L578 L579 I582 M601 L602 H603 L608 L609I552-L605 HydrophobicContact CD1-CD1 4.33Å; I575-L605 HydrophobicContact CB-CD1 4.34Å; I575-L605 HydrophobicContact CG1-CD1 4.18Å; I575-L605 HydrophobicContact CG2-CD1 3.81Å; L578-L605 HydrophobicContact CD2-CD1 3.96Å; L578-L605 HydrophobicContact CD2-CD2 4.24Å; L579-L605 HydrophobicContact CD2-CD2 3.63Å; L579-L605 HydrophobicContact CD2-CG 4.4Å; L579-L605 HydrophobicContact CG-CD2 4.06Å; I582-L605 HydrophobicContact CD1-CD2 3.68Å; M601-L605 PolarHBondContact O-N 3.25Å; M601-L605 HydrophobicContact SD-CB 4.32Å; M601-L605 HydrophobicContact SD-CD2 4.33Å; L602-L605 HydrophobicContact CD2-CD2 4.44Å; L602-L605 PolarHBondContact O-N 3.12Å; H603-L605 PolarHBondContact O-N 3.32Å; L605-L608 PolarHBondContact O-N 3.45Å; L605-L609 WeakPolarHBondContact O-CB 3.36Å; L605-L609 PolarHBondContact O-N 3.09Å
606V85.8Confident82.8Confident3 Ų320 Ų202%0.01810%0.104CC..Hα-helixtrans-66.4-40.3178.8172.70000111.7L602 H603 T604 L608 L609 N610 L675 A678 L679 L682L602-V606 WeakPolarHBondContact O-CB 3.47Å; L602-V606 VanDerWaalsContact O-CG2 3.28Å; L602-V606 WeakPolarHBondContact O-CG2 3.44Å; L602-V606 PolarHBondContact O-N 3.45Å; H603-V606 PolarHBondContact O-N 2.83Å; T604-V606 PolarHBondContact O-N 3.46Å; V606-L608 VanDerWaalsContact C-N 3.35Å; V606-L609 PolarHBondContact O-N 2.7Å; V606-N610 WeakPolarHBondContact O-CB 3.32Å; V606-N610 PolarHBondContact O-N 3.31Å; V606-L675 HydrophobicContact CG2-CD1 4.07Å; V606-A678 HydrophobicContact CB-CB 4.48Å; V606-A678 HydrophobicContact CG1-CB 3.84Å; V606-L679 HydrophobicContact CB-CD2 4.47Å; V606-L679 HydrophobicContact CG1-CD2 3.87Å; V606-L679 HydrophobicContact CG1-CG 4.18Å; V606-L679 HydrophobicContact CG2-CD2 3.7Å; V606-L679 HydrophobicContact CG2-CG 4.36Å; V606-L682 HydrophobicContact CG1-CD2 4.12Å
607V80.6Confident81.5Confident21 Ų2121.8 Ų21.813%0.12712%0.116CC..Hα-helixtrans-62.8-43.8176.5167.30000110.9H301 H603 T604 N610 Y611 A678H301-V607 WeakPolarHBondContact ND1-CG1 3.27Å; H603-V607 WeakPolarHBondContact O-CB 3.26Å; H603-V607 VanDerWaalsContact O-CG2 3.23Å; H603-V607 WeakPolarHBondContact O-CG2 3.22Å; H603-V607 PolarHBondContact O-N 3.4Å; T604-V607 PolarHBondContact O-N 3.18Å; V607-N610 PolarHBondContact O-N 2.93Å; V607-Y611 PolarHBondContact O-N 3.42Å; V607-A678 HydrophobicContact CG2-CB 3.99Å
608L80.7Confident80.3Confident3 Ų323.6 Ų23.62%0.01613%0.126CC..Hα-helixtrans-68.8-39.6177.7-66.9-179.2000111.9I552 W556 I575 T604 L605 V606 N610 Y611 E612I552-L608 HydrophobicContact CB-CD1 4.3Å; I552-L608 HydrophobicContact CG2-CD1 3.43Å; I552-L608 VanDerWaalsContact CG2-CD1 3.43Å; W556-L608 HydrophobicContact CB-CD1 3.94Å; W556-L608 HydrophobicContact CB-CD2 3.85Å; W556-L608 HydrophobicContact CD2-CD2 3.41Å; W556-L608 VanDerWaalsContact CD2-CD2 3.41Å; W556-L608 HydrophobicContact CE3-CD2 3.98Å; W556-L608 HydrophobicContact CG-CD1 4.36Å; W556-L608 HydrophobicContact CG-CD2 3.34Å; W556-L608 HydrophobicContact CG-CG 4.42Å; W556-L608 HydrophobicContact CZ2-CD2 4.38Å; I575-L608 HydrophobicContact CD1-CB 4.22Å; T604-L608 HydrophobicContact CG2-CD1 3.92Å; T604-L608 HydrophobicContact CG2-CG 4.31Å; T604-L608 WeakPolarHBondContact O-CB 3.48Å; T604-L608 VanDerWaalsContact O-CG 3.26Å; T604-L608 WeakPolarHBondContact O-CG 3.23Å; T604-L608 PolarHBondContact O-N 3.34Å; L605-L608 PolarHBondContact O-N 3.45Å; V606-L608 VanDerWaalsContact C-N 3.35Å; L608-N610 VanDerWaalsContact C-N 3.32Å; L608-N610 PolarHBondContact O-N 2.98Å; L608-Y611 WeakPolarHBondContact O-CB 3.49Å; L608-Y611 PolarHBondContact O-N 3.32Å; L608-Y611 VanDerWaalsContact O-N 3.16Å; L608-E612 WeakPolarHBondContact O-CG 3.2Å; L608-E612 PolarHBondContact O-N 2.9Å
609L84Confident79Confident2 Ų228 Ų281%0.0116%0.157CC..Hα-helixtrans-58.1-45.2172.2176.559.6000111.6Y572 I575 L579 L605 V606 Y611 E612 L613 L682 F691Y572-L609 HydrophobicContact CD2-CD1 4.03Å; Y572-L609 HydrophobicContact CE2-CD1 3.64Å; I575-L609 HydrophobicContact CG2-CB 4.31Å; I575-L609 HydrophobicContact CG2-CD1 4.15Å; L579-L609 HydrophobicContact CD1-CD2 4.36Å; L605-L609 WeakPolarHBondContact O-CB 3.36Å; L605-L609 PolarHBondContact O-N 3.09Å; V606-L609 PolarHBondContact O-N 2.7Å; L609-Y611 VanDerWaalsContact C-N 3.31Å; L609-Y611 PolarHBondContact O-N 3.04Å; L609-E612 PolarHBondContact O-N 2.99Å; L609-L613 HydrophobicContact CD1-CD1 3.92Å; L609-L613 HydrophobicContact CD1-CG 4.43Å; L609-L613 HydrophobicContact CG-CD1 3.94Å; L609-L613 WeakPolarHBondContact O-CB 3.27Å; L609-L613 WeakPolarHBondContact O-CD1 3.35Å; L609-L613 PolarHBondContact O-N 3.31Å; L609-L682 HydrophobicContact CD2-CD2 3.7Å; L609-L682 HydrophobicContact CG-CD2 4.08Å; L609-F691 HydrophobicContact CD1-CD2 4.42Å; L609-F691 HydrophobicContact CD1-CE2 3.84Å; L609-F691 HydrophobicContact CD1-CZ 3.92Å; L609-F691 HydrophobicContact CD2-CD1 3.98Å; L609-F691 HydrophobicContact CD2-CD2 4.45Å; L609-F691 HydrophobicContact CD2-CE1 3.84Å; L609-F691 HydrophobicContact CD2-CE2 4.34Å; L609-F691 HydrophobicContact CD2-CG 4.27Å; L609-F691 HydrophobicContact CD2-CZ 4.04Å
610N77.7Confident78.3Confident36 Ų3631.2 Ų31.219%0.19317%0.171CC..Hα-helixtrans-62-40.3176.1-167.610.9000111.8V606 V607 L608 Y614 L682V606-N610 WeakPolarHBondContact O-CB 3.32Å; V606-N610 PolarHBondContact O-N 3.31Å; V607-N610 PolarHBondContact O-N 2.93Å; L608-N610 VanDerWaalsContact C-N 3.32Å; L608-N610 PolarHBondContact O-N 2.98Å; N610-Y614 VanDerWaalsContact O-CB 3.29Å; N610-Y614 WeakPolarHBondContact O-CB 3.22Å; N610-Y614 PolarHBondContact O-N 3.16Å; N610-L682 HydrophobicContact CB-CB 4.39Å; N610-L682 HydrophobicContact CB-CD1 4.03Å
611Y78Confident78Confident54 Ų5436 Ų3621%0.21220%0.201CC..Hα-helixtrans-61.1-48.8174.9-178.6-87.1000112.2W556 L560 V607 L608 L609 L613 Y614 Q615W556-Y611 HydrophobicContact CZ2-CD1 4.48Å; W556-Y611 HydrophobicContact CZ2-CD2 4.2Å; W556-Y611 HydrophobicContact CZ2-CE1 4.47Å; W556-Y611 HydrophobicContact CZ2-CE2 4.17Å; W556-Y611 HydrophobicContact CZ2-CG 4.36Å; W556-Y611 AromaticContact NE1-CD1 3.2Å; W556-Y611 AromaticContact NE1-CE1 3.4Å; W556-Y611 AromaticContact NE1-CG 3.75Å; L560-Y611 HydrophobicContact CD2-CE1 3.64Å; L560-Y611 WeakPolarHBondContact CD2-OH 3.31Å; V607-Y611 PolarHBondContact O-N 3.42Å; L608-Y611 WeakPolarHBondContact O-CB 3.49Å; L608-Y611 PolarHBondContact O-N 3.32Å; L608-Y611 VanDerWaalsContact O-N 3.16Å; L609-Y611 VanDerWaalsContact C-N 3.31Å; L609-Y611 PolarHBondContact O-N 3.04Å; Y611-L613 PolarHBondContact O-N 3.49Å; Y611-Y614 PolarHBondContact O-N 3.21Å; Y611-Q615 HydrophobicContact CD1-CG 4.14Å; Y611-Q615 HydrophobicContact CE1-CG 3.62Å; Y611-Q615 VanDerWaalsContact CZ-NE2 3.35Å; Y611-Q615 WeakPolarHBondContact O-CG 3.42Å; Y611-Q615 PolarHBondContact O-N 2.94Å; Y611-Q615 PolarHBondContact OH-NE2 3.05Å
612E77.5Confident77.7Confident0 Ų036.2 Ų36.20%020%0.202CC..Hα-helixtrans-63.8-40.4-179.5-69.5-60.7123.800112.4R563 L571 I575 L608 L609 Q615 G616R563-E612 IonicContact CZ-OE1 2.94Å; R563-E612 IonicContact CZ-OE2 3.11Å; R563-E612 VanDerWaalsContact CZ-OE2 3.26Å; R563-E612 VanDerWaalsContact NH1-CD 3.31Å; R563-E612 IonicContact NH1-OE1 3.92Å; R563-E612 PolarHBondContact NH1-OE1 3.3Å; R563-E612 IonicContact NH1-OE2 2.8Å; R563-E612 PolarHBondContact NH1-OE2 3.23Å; R563-E612 IonicContact NH2-OE1 3.68Å; R563-E612 IonicContact NH2-OE2 3.69Å; R563-E612 PolarHBondContact NH2-OE2 2.98Å; L571-E612 HydrophobicContact CD2-CG 4.18Å; I575-E612 HydrophobicContact CD1-CG 4.03Å; L608-E612 WeakPolarHBondContact O-CG 3.2Å; L608-E612 PolarHBondContact O-N 2.9Å; L609-E612 PolarHBondContact O-N 2.99Å; E612-Q615 PolarHBondContact O-N 3.08Å; E612-G616 PolarHBondContact O-N 2.79Å
613L77Confident77.4Confident9 Ų938.2 Ų38.25%0.04722%0.216CC..Hα-helixtrans-63.5-42.5172.1-80.1157.1000111.9L609 Y611 Q615 G616 I618 L682 F691L609-L613 HydrophobicContact CD1-CD1 3.92Å; L609-L613 HydrophobicContact CD1-CG 4.43Å; L609-L613 HydrophobicContact CG-CD1 3.94Å; L609-L613 WeakPolarHBondContact O-CB 3.27Å; L609-L613 WeakPolarHBondContact O-CD1 3.35Å; L609-L613 PolarHBondContact O-N 3.31Å; Y611-L613 PolarHBondContact O-N 3.49Å; L613-Q615 VanDerWaalsContact C-N 3.33Å; L613-Q615 PolarHBondContact O-N 3Å; L613-G616 PolarHBondContact O-N 2.87Å; L613-G616 VanDerWaalsContact O-N 3.12Å; L613-I618 HydrophobicContact CB-CD1 4.2Å; L613-I618 HydrophobicContact CD2-CD1 3.18Å; L613-I618 HydrophobicContact CG-CD1 3.39Å; L613-L682 HydrophobicContact CD1-CD1 3.34Å; L613-F691 HydrophobicContact CD1-CD2 3.75Å; L613-F691 HydrophobicContact CD1-CE2 4.24Å; L613-F691 HydrophobicContact CD2-CD2 4.36Å
614Y70.3Confident77.4Confident136 Ų13644.2 Ų44.253%0.53325%0.248SC..Hα-helixtrans-64-39.1178.6-174.9-93.4000111.6N610 Y611 G616 R687N610-Y614 VanDerWaalsContact O-CB 3.29Å; N610-Y614 WeakPolarHBondContact O-CB 3.22Å; N610-Y614 PolarHBondContact O-N 3.16Å; Y611-Y614 PolarHBondContact O-N 3.21Å; Y614-G616 PolarHBondContact O-N 2.69Å; Y614-R687 WeakPolarHBondContact O-CD 3.38Å; Y614-R687 PolarHBondContact O-NH1 3.29Å
615Q70.1Confident77.5Confident88 Ų8846.8 Ų46.841%0.41127%0.266SS..Hα-helixtrans-66.6-15.2176.2-68.8-63-10.200113.4Y611 E612 L613 S617Y611-Q615 HydrophobicContact CD1-CG 4.14Å; Y611-Q615 HydrophobicContact CE1-CG 3.62Å; Y611-Q615 VanDerWaalsContact CZ-NE2 3.35Å; Y611-Q615 WeakPolarHBondContact O-CG 3.42Å; Y611-Q615 PolarHBondContact O-N 2.94Å; Y611-Q615 PolarHBondContact OH-NE2 3.05Å; E612-Q615 PolarHBondContact O-N 3.08Å; L613-Q615 VanDerWaalsContact C-N 3.33Å; L613-Q615 PolarHBondContact O-N 3Å; Q615-S617 VanDerWaalsContact C-N 3.25Å; Q615-S617 WeakPolarHBondContact CB-OG 3.4Å; Q615-S617 PolarHBondContact O-N 3.03Å
616G67Low77.5Confident52 Ų5246.7 Ų46.754%0.53627%0.266SS..THydrogen-bonded Turntrans70.723.2-177.400000112.7E612 L613 Y614 I618E612-G616 PolarHBondContact O-N 2.79Å; L613-G616 PolarHBondContact O-N 2.87Å; L613-G616 VanDerWaalsContact O-N 3.12Å; Y614-G616 PolarHBondContact O-N 2.69Å; G616-I618 PolarHBondContact O-N 2.77Å
617S60.7Low77.7Confident37 Ų3748.5 Ų48.526%0.25928%0.275SS..  trans-80.410.7-177.1-510000113.7Q615Q615-S617 VanDerWaalsContact C-N 3.25Å; Q615-S617 WeakPolarHBondContact CB-OG 3.4Å; Q615-S617 PolarHBondContact O-N 3.03Å
618I63.7Low78.1Confident38 Ų3850.4 Ų50.420%0.19529%0.289CS..  trans-100.5117.1-174.8-64166.8000108.9Y572 L613 G616 H620Y572-I618 HydrophobicContact CD1-CD1 4.49Å; Y572-I618 HydrophobicContact CD1-CG1 3.92Å; Y572-I618 HydrophobicContact CD1-CG2 4.2Å; Y572-I618 HydrophobicContact CD2-CD1 3.5Å; Y572-I618 VanDerWaalsContact CD2-CD1 3.5Å; Y572-I618 HydrophobicContact CD2-CG1 3.62Å; Y572-I618 HydrophobicContact CE1-CD1 4.4Å; Y572-I618 HydrophobicContact CE1-CG1 4.14Å; Y572-I618 HydrophobicContact CE1-CG2 3.82Å; Y572-I618 HydrophobicContact CE2-CD1 3.37Å; Y572-I618 HydrophobicContact CE2-CG1 3.86Å; Y572-I618 HydrophobicContact CG-CD1 4.09Å; Y572-I618 HydrophobicContact CG-CG1 3.67Å; L613-I618 HydrophobicContact CB-CD1 4.2Å; L613-I618 HydrophobicContact CD2-CD1 3.18Å; L613-I618 HydrophobicContact CG-CD1 3.39Å; G616-I618 PolarHBondContact O-N 2.77Å; I618-H620 WeakPolarHBondContact CG2-O 3.49Å
619S64.6Low78.6Confident93 Ų9350.3 Ų50.365%0.6529%0.289SS*.  trans-94.4-18.5-177.755.50000113
620H77Confident79Confident68 Ų6850.2 Ų50.232%0.31529%0.289SS..SBendtrans-131.8161.8-172.966.8-79.4000114.2Y572 E576 I618Y572-H620 AromaticContact CD1-CE1 3.69Å; Y572-H620 AromaticContact CE1-CE1 3.65Å; Y572-H620 AromaticContact CE1-NE2 3.71Å; E576-H620 IonicContact OE1-NE2 3.52Å; E576-H620 IonicContact OE2-CD2 3.9Å; E576-H620 IonicContact OE2-CE1 3.42Å; E576-H620 IonicContact OE2-NE2 2.84Å; E576-H620 PolarHBondContact OE2-NE2 3.05Å; I618-H620 WeakPolarHBondContact CG2-O 3.49Å
621V81Confident79.6Confident102 Ų10250.6 Ų50.662%0.61829%0.291SS*.PPolyproline II helixtrans-77.3128.4174.5-178.20000109.2
622P84.2Confident80.3Confident3 Ų351.5 Ų51.52%0.01930%0.297CS..PPolyproline II helixtrans-59.4141.4175.14.9-9.7000111.9Y572 E576 V626 L627 H690 F691Y572-P622 WeakPolarHBondContact OH-CB 2.96Å; Y572-P622 WeakPolarHBondContact OH-CG 3.46Å; E576-P622 VanDerWaalsContact OE1-CA 3.24Å; E576-P622 WeakPolarHBondContact OE1-CA 3.47Å; E576-P622 VanDerWaalsContact OE1-CB 3.26Å; E576-P622 WeakPolarHBondContact OE1-CB 3.4Å; P622-V626 HydrophobicContact CB-CB 4.35Å; P622-V626 HydrophobicContact CB-CG1 4.22Å; P622-L627 HydrophobicContact CB-CD2 4.28Å; P622-L627 HydrophobicContact CB-CG 4.38Å; P622-L627 HydrophobicContact CG-CD2 4.1Å; P622-H690 HydrophobicContact CG-CB 3.56Å; P622-F691 HydrophobicContact CB-CE2 4.42Å; P622-F691 HydrophobicContact CB-CZ 4.14Å; P622-F691 HydrophobicContact CG-CD2 4.5Å; P622-F691 HydrophobicContact CG-CE2 3.84Å; P622-F691 HydrophobicContact CG-CZ 4.05Å
623S85.7Confident81Confident42 Ų4251.5 Ų51.529%0.29430%0.297SS..PPolyproline II helixtrans-66153.8175.965.60000112.4K580 S625 V626 L627K580-S623 WeakPolarHBondContact CE-OG 3.26Å; K580-S623 PolarHBondContact NZ-OG 3.2Å; S623-S625 PolarHBondContact O-N 3.37Å; S623-S625 VanDerWaalsContact O-N 3.12Å; S623-S625 PolarHBondContact OG-OG 3.25Å; S623-V626 WeakPolarHBondContact O-CB 3.42Å; S623-V626 PolarHBondContact O-N 3.35Å; S623-V626 WeakPolarHBondContact OG-CG2 3.07Å; S623-L627 PolarHBondContact O-N 2.92Å
624D86.2Confident81.8Confident137 Ų13751.1 Ų51.173%0.73330%0.295SS*.Hα-helixtrans-54.6-36179.7-64.9-28.8000113.5V626 L627 S628D624-V626 VanDerWaalsContact C-N 3.31Å; D624-V626 PolarHBondContact O-N 3.45Å; D624-L627 PolarHBondContact O-N 3.49Å; D624-S628 WeakPolarHBondContact O-CB 3.1Å; D624-S628 PolarHBondContact O-N 2.86Å
625S86.6Confident82.9Confident57 Ų5747.9 Ų47.940%0.39929%0.285SS..Hα-helixtrans-59.9-37.5175.560.40000113.4K580 S623 A629K580-S625 VanDerWaalsContact CE-OG 3.31Å; K580-S625 WeakPolarHBondContact CE-OG 3.24Å; S623-S625 PolarHBondContact O-N 3.37Å; S623-S625 VanDerWaalsContact O-N 3.12Å; S623-S625 PolarHBondContact OG-OG 3.25Å; S625-A629 WeakPolarHBondContact O-CB 3.28Å; S625-A629 PolarHBondContact O-N 2.94Å
626V88.9Confident84Confident0 Ų044.1 Ų44.10%027%0.267CS..Hα-helixtrans-71.3-42177.6174.90000110.2E576 L579 K580 P622 S623 D624 S628 A629 Y630 F691E576-V626 HydrophobicContact CB-CG2 3.95Å; E576-V626 HydrophobicContact CG-CG1 4.2Å; E576-V626 HydrophobicContact CG-CG2 4.19Å; L579-V626 HydrophobicContact CB-CG1 4.32Å; L579-V626 HydrophobicContact CD1-CG1 3.8Å; K580-V626 HydrophobicContact CD-CG2 4.12Å; K580-V626 HydrophobicContact CG-CG2 3.7Å; P622-V626 HydrophobicContact CB-CB 4.35Å; P622-V626 HydrophobicContact CB-CG1 4.22Å; S623-V626 WeakPolarHBondContact O-CB 3.42Å; S623-V626 PolarHBondContact O-N 3.35Å; S623-V626 WeakPolarHBondContact OG-CG2 3.07Å; D624-V626 VanDerWaalsContact C-N 3.31Å; D624-V626 PolarHBondContact O-N 3.45Å; V626-S628 VanDerWaalsContact C-N 3.33Å; V626-A629 PolarHBondContact O-N 3.43Å; V626-Y630 WeakPolarHBondContact O-CB 3.35Å; V626-Y630 PolarHBondContact O-N 3.44Å; V626-F691 HydrophobicContact CG1-CE1 3.74Å; V626-F691 HydrophobicContact CG1-CZ 3.84Å
627L90.1Very high85.3Confident40 Ų4041.6 Ų41.621%0.20924%0.241CC..Hα-helixtrans-66.2-36.9177-64.2177000111.6P622 S623 D624 Y630 N631 H690 F691P622-L627 HydrophobicContact CB-CD2 4.28Å; P622-L627 HydrophobicContact CB-CG 4.38Å; P622-L627 HydrophobicContact CG-CD2 4.1Å; S623-L627 PolarHBondContact O-N 2.92Å; D624-L627 PolarHBondContact O-N 3.49Å; L627-Y630 PolarHBondContact O-N 3.06Å; L627-N631 PolarHBondContact O-N 2.68Å; L627-N631 VanDerWaalsContact O-N 3.1Å; L627-N631 PolarHBondContact O-ND2 3.45Å; L627-H690 WeakPolarHBondContact CD2-O 3.44Å; L627-F691 HydrophobicContact CD2-CD1 4.18Å; L627-F691 HydrophobicContact CD2-CE1 4.36Å
628S89.9Confident86.8Confident61 Ų6139.9 Ų39.943%0.42723%0.229SC..Hα-helixtrans-62.1-50.9172.4-168.70000110.9D624 V626 Y630 N631 E632D624-S628 WeakPolarHBondContact O-CB 3.1Å; D624-S628 PolarHBondContact O-N 2.86Å; V626-S628 VanDerWaalsContact C-N 3.33Å; S628-Y630 VanDerWaalsContact C-N 3.27Å; S628-Y630 PolarHBondContact O-N 3.41Å; S628-N631 PolarHBondContact O-N 2.91Å; S628-E632 WeakPolarHBondContact O-CG 3.46Å; S628-E632 PolarHBondContact O-N 2.91Å
629A90.5Very high88.1Confident1 Ų139.6 Ų39.61%0.00823%0.23CC..Hα-helixtrans-57.2-40.3177.200000112.2L579 S625 V626 N631 E632 I633L579-A629 HydrophobicContact CB-CB 4.38Å; L579-A629 VanDerWaalsContact O-CB 3.24Å; L579-A629 WeakPolarHBondContact O-CB 3.4Å; S625-A629 WeakPolarHBondContact O-CB 3.28Å; S625-A629 PolarHBondContact O-N 2.94Å; V626-A629 PolarHBondContact O-N 3.43Å; A629-N631 PolarHBondContact O-N 2.78Å; A629-E632 WeakPolarHBondContact O-CB 3.44Å; A629-E632 PolarHBondContact O-N 2.82Å; A629-I633 WeakPolarHBondContact O-CG1 3.41Å; A629-I633 PolarHBondContact O-N 3.11Å
630Y91.9Very high89.4Confident1 Ų135.2 Ų35.20%0.00420%0.2CC..Hα-helixtrans-61.8-41.7174.7176.5-109.3000112.9V626 L627 S628 E632 I633 W634 L679 L682 F691V626-Y630 WeakPolarHBondContact O-CB 3.35Å; V626-Y630 PolarHBondContact O-N 3.44Å; L627-Y630 PolarHBondContact O-N 3.06Å; S628-Y630 VanDerWaalsContact C-N 3.27Å; S628-Y630 PolarHBondContact O-N 3.41Å; Y630-E632 VanDerWaalsContact C-N 3.35Å; Y630-I633 PolarHBondContact O-N 2.87Å; Y630-W634 AromaticContact CE1-CD1 3.74Å; Y630-W634 AromaticContact CE1-NE1 3.4Å; Y630-W634 AromaticContact CE2-NE1 3.87Å; Y630-W634 AromaticContact CZ-CD1 3.81Å; Y630-W634 AromaticContact CZ-NE1 3.18Å; Y630-W634 PolarHBondContact O-N 3.49Å; Y630-W634 PolarHBondContact OH-NE1 2.87Å; Y630-W634 VanDerWaalsContact OH-NE1 3.1Å; Y630-L679 HydrophobicContact CD2-CD2 4.36Å; Y630-L679 HydrophobicContact CE2-CD2 3.6Å; Y630-L682 HydrophobicContact CD2-CD2 4.48Å; Y630-L682 HydrophobicContact CE2-CD2 3.55Å; Y630-L682 HydrophobicContact CE2-CG 4.49Å; Y630-F691 HydrophobicContact CD1-CB 4.15Å; Y630-F691 AromaticContact CD1-CD1 3.96Å; Y630-F691 HydrophobicContact CD1-CD1 3.96Å; Y630-F691 AromaticContact CD2-CD1 3.9Å; Y630-F691 HydrophobicContact CD2-CD1 3.9Å; Y630-F691 HydrophobicContact CE1-CB 3.87Å; Y630-F691 HydrophobicContact CE1-CD1 4.46Å; Y630-F691 WeakPolarHBondContact CE1-O 3.31Å; Y630-F691 HydrophobicContact CE2-CB 4.45Å; Y630-F691 HydrophobicContact CE2-CD1 4.44Å; Y630-F691 AromaticContact CG-CD1 3.63Å; Y630-F691 HydrophobicContact CG-CD1 3.63Å; Y630-F691 HydrophobicContact CG-CE1 4.41Å; Y630-F691 PolarHBondContact OH-O 3.47Å
631N91.5Very high90Very high44 Ų4432 Ų3224%0.23519%0.185CC..Hα-helixtrans-69-32.8175.5-75.1-65.7000112.2L627 S628 A629 I633 W634 E635 C693 A694L627-N631 PolarHBondContact O-N 2.68Å; L627-N631 VanDerWaalsContact O-N 3.1Å; L627-N631 PolarHBondContact O-ND2 3.45Å; S628-N631 PolarHBondContact O-N 2.91Å; A629-N631 PolarHBondContact O-N 2.78Å; N631-I633 VanDerWaalsContact C-N 3.32Å; N631-I633 PolarHBondContact O-N 2.9Å; N631-W634 WeakPolarHBondContact O-CB 3.28Å; N631-W634 PolarHBondContact O-N 3.46Å; N631-E635 PolarHBondContact O-N 3.19Å; N631-E635 VanDerWaalsContact O-N 3.09Å; N631-C693 WeakPolarHBondContact OD1-CA 3.48Å; N631-A694 PolarHBondContact OD1-N 3.4Å; N631-A694 VanDerWaalsContact OD1-N 3.1Å
632E91.7Very high90.3Very high72 Ų7229.4 Ų29.434%0.33617%0.166SC..Hα-helixtrans-63.7-37.1172.7-71.4170.8-174.900112.1S583 S628 A629 Y630 W634 E635 F636S583-E632 WeakPolarHBondContact CA-OE2 3.43Å; S583-E632 VanDerWaalsContact CB-OE2 3.31Å; S583-E632 WeakPolarHBondContact CB-OE2 3.39Å; S628-E632 WeakPolarHBondContact O-CG 3.46Å; S628-E632 PolarHBondContact O-N 2.91Å; A629-E632 WeakPolarHBondContact O-CB 3.44Å; A629-E632 PolarHBondContact O-N 2.82Å; Y630-E632 VanDerWaalsContact C-N 3.35Å; E632-W634 VanDerWaalsContact C-N 3.31Å; E632-W634 PolarHBondContact O-N 2.79Å; E632-E635 PolarHBondContact O-N 2.76Å; E632-F636 VanDerWaalsContact O-CB 3.32Å; E632-F636 WeakPolarHBondContact O-CB 3.39Å; E632-F636 PolarHBondContact O-N 3.27Å
633I93.3Very high90.3Very high1 Ų132.9 Ų32.91%0.00518%0.182CC..Hα-helixtrans-61.8-40.8174.1-66.4166.2000110.9L579 V586 L602 A629 Y630 N631 A637 L675 L679L579-I633 HydrophobicContact CD2-CD1 3.54Å; V586-I633 HydrophobicContact CG1-CG1 4.48Å; V586-I633 HydrophobicContact CG2-CG1 4.48Å; L602-I633 HydrophobicContact CD1-CG2 4.46Å; L602-I633 HydrophobicContact CD2-CD1 3.86Å; L602-I633 HydrophobicContact CD2-CG1 3.97Å; A629-I633 WeakPolarHBondContact O-CG1 3.41Å; A629-I633 PolarHBondContact O-N 3.11Å; Y630-I633 PolarHBondContact O-N 2.87Å; N631-I633 VanDerWaalsContact C-N 3.32Å; N631-I633 PolarHBondContact O-N 2.9Å; I633-A637 VanDerWaalsContact O-CB 3.27Å; I633-A637 WeakPolarHBondContact O-CB 3.45Å; I633-A637 PolarHBondContact O-N 3.44Å; I633-L675 HydrophobicContact CG2-CD1 4.41Å; I633-L679 HydrophobicContact CG2-CD1 4.03Å; I633-L679 HydrophobicContact CG2-CD2 4.02Å
634W93.4Very high90.1Very high1 Ų130.9 Ų30.90%0.00417%0.168CC..Hα-helixtrans-59.3-51.3173.8-86.7101.6000111.9Y630 N631 E632 F636 A637 V638 L676 L679 F680 H683 C693 I699Y630-W634 AromaticContact CE1-CD1 3.74Å; Y630-W634 AromaticContact CE1-NE1 3.4Å; Y630-W634 AromaticContact CE2-NE1 3.87Å; Y630-W634 AromaticContact CZ-CD1 3.81Å; Y630-W634 AromaticContact CZ-NE1 3.18Å; Y630-W634 PolarHBondContact O-N 3.49Å; Y630-W634 PolarHBondContact OH-NE1 2.87Å; Y630-W634 VanDerWaalsContact OH-NE1 3.1Å; N631-W634 WeakPolarHBondContact O-CB 3.28Å; N631-W634 PolarHBondContact O-N 3.46Å; E632-W634 VanDerWaalsContact C-N 3.31Å; E632-W634 PolarHBondContact O-N 2.79Å; W634-F636 VanDerWaalsContact C-N 3.35Å; W634-F636 PolarHBondContact O-N 3.47Å; W634-A637 PolarHBondContact O-N 3.38Å; W634-V638 WeakPolarHBondContact O-CG1 3.43Å; W634-V638 PolarHBondContact O-N 3.37Å; W634-L676 HydrophobicContact CE3-CD2 4.27Å; W634-L676 HydrophobicContact CZ3-CD2 4.2Å; W634-L679 HydrophobicContact CD2-CB 4.15Å; W634-L679 HydrophobicContact CD2-CD1 4.06Å; W634-L679 HydrophobicContact CE3-CB 4.29Å; W634-L679 HydrophobicContact CE3-CD1 4.14Å; W634-L679 HydrophobicContact CG-CD1 4.4Å; W634-L679 HydrophobicContact CH2-CB 3.65Å; W634-L679 VanDerWaalsContact CZ2-C 3.45Å; W634-L679 HydrophobicContact CZ2-CB 3.46Å; W634-L679 VanDerWaalsContact CZ2-CB 3.46Å; W634-L679 WeakPolarHBondContact CZ2-O 3.36Å; W634-L679 HydrophobicContact CZ3-CB 4.05Å; W634-F680 HydrophobicContact CH2-CB 4.45Å; W634-F680 AromaticContact CH2-CD1 3.75Å; W634-F680 HydrophobicContact CH2-CD1 3.75Å; W634-F680 AromaticContact CH2-CD2 3.99Å; W634-F680 HydrophobicContact CH2-CD2 3.99Å; W634-F680 AromaticContact CH2-CE1 3.86Å; W634-F680 HydrophobicContact CH2-CE1 3.86Å; W634-F680 HydrophobicContact CH2-CE2 4.08Å; W634-F680 AromaticContact CH2-CG 3.8Å; W634-F680 HydrophobicContact CH2-CG 3.8Å; W634-F680 HydrophobicContact CH2-CZ 4.01Å; W634-F680 HydrophobicContact CZ3-CD1 4.45Å; W634-F680 HydrophobicContact CZ3-CD2 4.19Å; W634-F680 HydrophobicContact CZ3-CE1 4.18Å; W634-F680 AromaticContact CZ3-CE2 3.89Å; W634-F680 HydrophobicContact CZ3-CE2 3.89Å; W634-F680 HydrophobicContact CZ3-CG 4.44Å; W634-F680 AromaticContact CZ3-CZ 3.89Å; W634-F680 HydrophobicContact CZ3-CZ 3.89Å; W634-H683 HydrophobicContact CZ2-CB 4.01Å; W634-C693 HydrophobicContact CD2-CB 4.1Å; W634-C693 HydrophobicContact CG-CB 4.13Å; W634-C693 HydrophobicContact CZ2-CB 4.22Å; W634-I699 HydrophobicContact CB-CD1 4.48Å; W634-I699 HydrophobicContact CE3-CG1 4.37Å; W634-I699 HydrophobicContact CE3-CG2 3.74Å; W634-I699 HydrophobicContact CZ3-CG2 3.79Å
635E93.2Very high89.6Confident68 Ų6824.6 Ų24.632%0.31814%0.135SC..Hα-helixtrans-62.5-40.1-179.9-75.3-62.1156.700112.3N631 E632 V638 S639 R702N631-E635 PolarHBondContact O-N 3.19Å; N631-E635 VanDerWaalsContact O-N 3.09Å; E632-E635 PolarHBondContact O-N 2.76Å; E635-V638 VanDerWaalsContact O-CG1 3.32Å; E635-V638 WeakPolarHBondContact O-CG1 3.18Å; E635-S639 VanDerWaalsContact O-CB 3.23Å; E635-S639 WeakPolarHBondContact O-CB 3.46Å; E635-S639 PolarHBondContact O-N 2.98Å; E635-S639 PolarHBondContact O-OG 3.02Å; E635-R702 IonicContact OE1-NH1 3.77Å; E635-R702 IonicContact OE2-CZ 2.73Å; E635-R702 IonicContact OE2-NH1 3.76Å; E635-R702 PolarHBondContact OE2-NH1 3.3Å
636F93.8Very high88.9Confident8 Ų825.4 Ų25.44%0.03513%0.134CC..Hα-helixtrans-61.7-50.5173.1165.5-100.5000112V586 V588 L598 V599 L602 E632 W634 V638 S639 L640 L675V586-F636 HydrophobicContact CG1-CB 3.47Å; V586-F636 VanDerWaalsContact CG1-CB 3.47Å; V586-F636 HydrophobicContact CG1-CD1 4.15Å; V586-F636 HydrophobicContact CG1-CD2 4.21Å; V586-F636 HydrophobicContact CG1-CG 3.69Å; V588-F636 HydrophobicContact CG2-CD2 3.7Å; V588-F636 HydrophobicContact CG2-CE2 4.02Å; L598-F636 HydrophobicContact CD2-CE1 4.33Å; L598-F636 HydrophobicContact CD2-CE2 3.96Å; L598-F636 HydrophobicContact CD2-CZ 3.75Å; L598-F636 HydrophobicContact CG-CE1 4.47Å; L598-F636 HydrophobicContact CG-CZ 4.18Å; V599-F636 HydrophobicContact CG2-CE1 3.69Å; V599-F636 HydrophobicContact CG2-CZ 3.88Å; L602-F636 HydrophobicContact CD1-CD1 3.83Å; L602-F636 HydrophobicContact CD1-CE1 3.7Å; E632-F636 VanDerWaalsContact O-CB 3.32Å; E632-F636 WeakPolarHBondContact O-CB 3.39Å; E632-F636 PolarHBondContact O-N 3.27Å; W634-F636 VanDerWaalsContact C-N 3.35Å; W634-F636 PolarHBondContact O-N 3.47Å; F636-V638 PolarHBondContact O-N 3.12Å; F636-S639 PolarHBondContact O-N 3.22Å; F636-L640 HydrophobicContact CE1-CD2 4.32Å; F636-L640 HydrophobicContact CE2-CD2 4.46Å; F636-L640 HydrophobicContact CZ-CD2 3.9Å; F636-L640 WeakPolarHBondContact O-CB 3.34Å; F636-L640 PolarHBondContact O-N 3.43Å; F636-L675 HydrophobicContact CE1-CD2 4.41Å
637A93.2Very high87.8Confident0 Ų028.6 Ų28.60%015%0.149CC..Hα-helixtrans-63.5-42.8-175.800000112.1I633 W634 L640 F641 V672 L675 L676 L679I633-A637 VanDerWaalsContact O-CB 3.27Å; I633-A637 WeakPolarHBondContact O-CB 3.45Å; I633-A637 PolarHBondContact O-N 3.44Å; W634-A637 PolarHBondContact O-N 3.38Å; A637-L640 PolarHBondContact O-N 2.7Å; A637-F641 WeakPolarHBondContact O-CB 3.45Å; A637-F641 PolarHBondContact O-N 3.34Å; A637-V672 VanDerWaalsContact O-CG1 3.28Å; A637-V672 WeakPolarHBondContact O-CG1 3.31Å; A637-L675 HydrophobicContact CB-CD2 3.86Å; A637-L675 HydrophobicContact CB-CG 4.16Å; A637-L676 HydrophobicContact CB-CD2 3.59Å; A637-L676 HydrophobicContact CB-CG 3.99Å; A637-L679 HydrophobicContact CB-CD1 4.06Å
638V92.2Very high86.5Confident0 Ų028.7 Ų28.70%015%0.146CC..Hα-helixtrans-69.6-37.5177.268.50000112.1W634 E635 F636 L640 F641 E642 I699 R702 I703W634-V638 WeakPolarHBondContact O-CG1 3.43Å; W634-V638 PolarHBondContact O-N 3.37Å; E635-V638 VanDerWaalsContact O-CG1 3.32Å; E635-V638 WeakPolarHBondContact O-CG1 3.18Å; F636-V638 PolarHBondContact O-N 3.12Å; V638-L640 VanDerWaalsContact C-N 3.3Å; V638-L640 PolarHBondContact O-N 2.84Å; V638-F641 WeakPolarHBondContact O-CB 3.46Å; V638-F641 PolarHBondContact O-N 2.98Å; V638-E642 WeakPolarHBondContact O-CG 3.24Å; V638-E642 PolarHBondContact O-N 3.15Å; V638-I699 HydrophobicContact CB-CD1 4.07Å; V638-I699 HydrophobicContact CB-CG2 4.34Å; V638-I699 HydrophobicContact CG1-CD1 3.5Å; V638-I699 HydrophobicContact CG2-CG2 4.36Å; V638-R702 HydrophobicContact CG2-CB 3.74Å; V638-I703 HydrophobicContact CG2-CG1 4.07Å
639S92.3Very high84.6Confident33 Ų3328.5 Ų28.523%0.23115%0.145CC..Hα-helixtrans-66.5-37.3178.5-59.60000111E635 F636 Q643 R702E635-S639 VanDerWaalsContact O-CB 3.23Å; E635-S639 WeakPolarHBondContact O-CB 3.46Å; E635-S639 PolarHBondContact O-N 2.98Å; E635-S639 PolarHBondContact O-OG 3.02Å; F636-S639 PolarHBondContact O-N 3.22Å; S639-Q643 WeakPolarHBondContact O-CG 3.26Å; S639-Q643 PolarHBondContact O-N 2.94Å; S639-Q643 VanDerWaalsContact O-N 3.11Å; S639-R702 PolarHBondContact OG-NH2 2.67Å
640L90.1Very high82.7Confident0 Ų036.5 Ų36.50%018%0.175CC..Hα-helixtrans-68.8-38.1174.2-16560.7000111.5V588 N595 V599 F636 A637 V638 Q643 C644 H668 V672V588-L640 HydrophobicContact CG1-CD1 3.97Å; N595-L640 HydrophobicContact CB-CD1 4.07Å; N595-L640 HydrophobicContact CB-CD2 4Å; V599-L640 HydrophobicContact CG2-CD2 3.48Å; V599-L640 VanDerWaalsContact CG2-CD2 3.48Å; F636-L640 HydrophobicContact CE1-CD2 4.32Å; F636-L640 HydrophobicContact CE2-CD2 4.46Å; F636-L640 HydrophobicContact CZ-CD2 3.9Å; F636-L640 WeakPolarHBondContact O-CB 3.34Å; F636-L640 PolarHBondContact O-N 3.43Å; A637-L640 PolarHBondContact O-N 2.7Å; V638-L640 VanDerWaalsContact C-N 3.3Å; V638-L640 PolarHBondContact O-N 2.84Å; L640-Q643 WeakPolarHBondContact O-CB 3.45Å; L640-Q643 PolarHBondContact O-N 3.46Å; L640-C644 PolarHBondContact O-N 2.96Å; L640-C644 PolarHBondContact O-SG 3.39Å; L640-C644 VanDerWaalsContact O-SG 3.32Å; L640-H668 WeakPolarHBondContact CD1-NE2 3.11Å; L640-V672 HydrophobicContact CB-CG1 4.34Å; L640-V672 HydrophobicContact CB-CG2 4.23Å; L640-V672 HydrophobicContact CD2-CG2 3.47Å; L640-V672 VanDerWaalsContact CD2-CG2 3.47Å; L640-V672 HydrophobicContact CG-CG2 3.64Å
641F90Very high80.7Confident0 Ų039.6 Ų39.60%019%0.191CC..Hα-helixtrans-63.9-40.8174.5179.8-103.5000113A637 V638 Q643 C644 S645 V672 L676 I703 L707 L727A637-F641 WeakPolarHBondContact O-CB 3.45Å; A637-F641 PolarHBondContact O-N 3.34Å; V638-F641 WeakPolarHBondContact O-CB 3.46Å; V638-F641 PolarHBondContact O-N 2.98Å; F641-Q643 VanDerWaalsContact C-N 3.33Å; F641-C644 WeakPolarHBondContact O-CB 3.22Å; F641-C644 PolarHBondContact O-N 3.34Å; F641-S645 PolarHBondContact O-N 3.47Å; F641-S645 PolarHBondContact O-OG 3.34Å; F641-V672 HydrophobicContact CB-CG1 3.75Å; F641-L676 HydrophobicContact CB-CD1 3.88Å; F641-L676 HydrophobicContact CD2-CD1 4.27Å; F641-L676 HydrophobicContact CG-CD1 4.03Å; F641-I703 HydrophobicContact CD1-CG1 4.19Å; F641-I703 HydrophobicContact CE1-CB 4.28Å; F641-I703 HydrophobicContact CE1-CG1 4.36Å; F641-I703 HydrophobicContact CE1-CG2 3.93Å; F641-I703 HydrophobicContact CZ-CG2 4.41Å; F641-L707 HydrophobicContact CE1-CG 4.24Å; F641-L707 HydrophobicContact CZ-CD2 3.82Å; F641-L707 HydrophobicContact CZ-CG 3.91Å; F641-L727 HydrophobicContact CD2-CD2 4.38Å; F641-L727 HydrophobicContact CE2-CD2 4Å; F641-L727 HydrophobicContact CZ-CD2 4.15Å
642E88.2Confident78.7Confident49 Ų4942.2 Ų42.223%0.22920%0.202CC..Hα-helixtrans-59.8-44.1172.5-77174.2159.200111.2V638 S645 I646 R702 S706V638-E642 WeakPolarHBondContact O-CG 3.24Å; V638-E642 PolarHBondContact O-N 3.15Å; E642-S645 PolarHBondContact O-N 2.83Å; E642-S645 VanDerWaalsContact O-N 3.16Å; E642-I646 VanDerWaalsContact O-CG1 3.31Å; E642-I646 WeakPolarHBondContact O-CG1 3.41Å; E642-I646 PolarHBondContact O-N 3.24Å; E642-R702 WeakPolarHBondContact OE1-CB 3.44Å; E642-R702 WeakPolarHBondContact OE1-CG 3.32Å; E642-R702 IonicContact OE1-CZ 2.67Å; E642-R702 IonicContact OE1-NE 3.6Å; E642-R702 PolarHBondContact OE1-NE 3.2Å; E642-R702 IonicContact OE1-NH2 3.22Å; E642-R702 IonicContact OE2-CZ 3.49Å; E642-R702 IonicContact OE2-NE 3.38Å; E642-R702 IonicContact OE2-NH2 2.6Å; E642-R702 PolarHBondContact OE2-NH2 3.22Å; E642-S706 WeakPolarHBondContact CG-OG 3.28Å
643Q83.9Confident76.4Confident75 Ų7540.8 Ų40.835%0.3521%0.207SC..Hα-helixtrans-61.7-44175.6-73.6-177.15.600112.2V588 S639 L640 F641 S645 I646 Q647V588-Q643 VanDerWaalsContact CG1-OE1 3.28Å; S639-Q643 WeakPolarHBondContact O-CG 3.26Å; S639-Q643 PolarHBondContact O-N 2.94Å; S639-Q643 VanDerWaalsContact O-N 3.11Å; L640-Q643 WeakPolarHBondContact O-CB 3.45Å; L640-Q643 PolarHBondContact O-N 3.46Å; F641-Q643 VanDerWaalsContact C-N 3.33Å; Q643-S645 VanDerWaalsContact C-N 3.27Å; Q643-S645 PolarHBondContact O-N 3.18Å; Q643-I646 PolarHBondContact O-N 3.37Å; Q643-Q647 WeakPolarHBondContact O-CB 3.33Å; Q643-Q647 WeakPolarHBondContact O-CG 3.36Å; Q643-Q647 PolarHBondContact O-N 3.32Å
644C81.2Confident73.9Confident0 Ų048.7 Ų48.70%024%0.243CC..Hα-helixtrans-56.9-44.2173-68.20000110.9L640 F641 I646 Q647 R648 F665 H668L640-C644 PolarHBondContact O-N 2.96Å; L640-C644 PolarHBondContact O-SG 3.39Å; L640-C644 VanDerWaalsContact O-SG 3.32Å; F641-C644 WeakPolarHBondContact O-CB 3.22Å; F641-C644 PolarHBondContact O-N 3.34Å; C644-I646 PolarHBondContact O-N 3.44Å; C644-Q647 PolarHBondContact O-N 3.26Å; C644-R648 PolarHBondContact O-N 3.5Å; C644-F665 HydrophobicContact CB-CE2 4.04Å; C644-F665 HydrophobicContact CB-CZ 4.26Å; C644-F665 WeakPolarHBondContact O-CE2 3.15Å; C644-F665 WeakPolarHBondContact O-CZ 3.3Å; C644-H668 PolarHBondContact SG-CD2 3.41Å
645S76Confident71.2Confident6 Ų659 Ų594%0.04229%0.288CS..Hα-helixtrans-65.4-39.3-179.8-57.30000112.5F641 E642 Q643 S649F641-S645 PolarHBondContact O-N 3.47Å; F641-S645 PolarHBondContact O-OG 3.34Å; E642-S645 PolarHBondContact O-N 2.83Å; E642-S645 VanDerWaalsContact O-N 3.16Å; Q643-S645 VanDerWaalsContact C-N 3.27Å; Q643-S645 PolarHBondContact O-N 3.18Å; S645-S649 PolarHBondContact O-N 3.28Å
646I71.7Confident68.7Low73 Ų7365.3 Ų65.337%0.37431%0.309SS..Hα-helixtrans-70.3-41.1175.8-64.7165.1000111.9E642 Q643 C644 R648 S649 R650E642-I646 VanDerWaalsContact O-CG1 3.31Å; E642-I646 WeakPolarHBondContact O-CG1 3.41Å; E642-I646 PolarHBondContact O-N 3.24Å; Q643-I646 PolarHBondContact O-N 3.37Å; C644-I646 PolarHBondContact O-N 3.44Å; I646-R648 PolarHBondContact O-N 3.31Å; I646-S649 PolarHBondContact O-N 3.26Å; I646-S649 PolarHBondContact O-OG 3.07Å; I646-R650 PolarHBondContact O-N 2.88Å
647Q66.7Low66Low67 Ų6774.6 Ų74.631%0.31335%0.352SS..Hα-helixtrans-64.4-33177.8-74.4-179.71.200111.6Q643 C644 R650 L651 F665Q643-Q647 WeakPolarHBondContact O-CB 3.33Å; Q643-Q647 WeakPolarHBondContact O-CG 3.36Å; Q643-Q647 PolarHBondContact O-N 3.32Å; C644-Q647 PolarHBondContact O-N 3.26Å; Q647-R650 WeakPolarHBondContact O-CB 3.39Å; Q647-R650 PolarHBondContact O-N 2.94Å; Q647-L651 PolarHBondContact O-N 3.28Å; Q647-L651 VanDerWaalsContact O-N 3.1Å; Q647-F665 HydrophobicContact CB-CD2 4.36Å; Q647-F665 HydrophobicContact CB-CE2 4.12Å
648R61.3Low63.9Low43 Ų4378.7 Ų78.716%0.16240%0.395CS..Hα-helixtrans-65.7-43.7176.3-161.4174.6179.5132.7-2.3113.1C644 I646 R650 L651 F665C644-R648 PolarHBondContact O-N 3.5Å; I646-R648 PolarHBondContact O-N 3.31Å; R648-R650 PolarHBondContact O-N 2.82Å; R648-L651 PolarHBondContact O-N 3.04Å; R648-L651 VanDerWaalsContact O-N 3.11Å; R648-F665 HydrophobicContact CB-CE1 3.99Å; R648-F665 HydrophobicContact CB-CE2 4.21Å; R648-F665 HydrophobicContact CB-CZ 3.57Å; R648-F665 HydrophobicContact CG-CE1 3.85Å; R648-F665 HydrophobicContact CG-CZ 3.98Å
649S51.2Low62.3Low56 Ų5681.2 Ų81.239%0.39241%0.412SS..Hα-helixtrans-61.4-29.6176.766.50000111.8S645 I646S645-S649 PolarHBondContact O-N 3.28Å; I646-S649 PolarHBondContact O-N 3.26Å; I646-S649 PolarHBondContact O-OG 3.07Å
650R49.2Very low60.7Low169 Ų16980.3 Ų80.364%0.63841%0.405SS*.Hα-helixtrans-74.4-33.6173.7-65178-179.4-177.10.7114I646 Q647 R648 Q652 G653I646-R650 PolarHBondContact O-N 2.88Å; Q647-R650 WeakPolarHBondContact O-CB 3.39Å; Q647-R650 PolarHBondContact O-N 2.94Å; R648-R650 PolarHBondContact O-N 2.82Å; R650-Q652 VanDerWaalsContact C-N 3.25Å; R650-Q652 PolarHBondContact O-N 3.24Å; R650-G653 CarbonylContact O-C 3.51Å; R650-G653 WeakPolarHBondContact O-CA 3.49Å; R650-G653 PolarHBondContact O-N 2.92Å
651L51.6Low59.5Low66 Ų6682.4 Ų82.435%0.34642%0.419SS..Hα-helixtrans-65-27.4179-79.7168.4000113.1Q647 R648 F665Q647-L651 PolarHBondContact O-N 3.28Å; Q647-L651 VanDerWaalsContact O-N 3.1Å; R648-L651 PolarHBondContact O-N 3.04Å; R648-L651 VanDerWaalsContact O-N 3.11Å; L651-F665 HydrophobicContact CD1-CB 4.15Å; L651-F665 HydrophobicContact CD1-CD1 4.31Å; L651-F665 HydrophobicContact CD1-CD2 4.29Å; L651-F665 HydrophobicContact CD1-CG 3.94Å
652Q48.5Very low58.4Low100 Ų10084.4 Ų84.447%0.46744%0.44SS..Hα-helixtrans-78.9-26.8170.7-70.4-176.5-11.800112.3R650 H654R650-Q652 VanDerWaalsContact C-N 3.25Å; R650-Q652 PolarHBondContact O-N 3.24Å; Q652-H654 PolarHBondContact O-N 3.06Å
653G44.5Very low57.3Low42 Ų4287.5 Ų87.543%0.43345%0.45SS..SBendtrans-94.175.1178.900000113.9R650R650-G653 CarbonylContact O-C 3.51Å; R650-G653 WeakPolarHBondContact O-CA 3.49Å; R650-G653 PolarHBondContact O-N 2.92Å
654H39.1Very low56.7Low166 Ų16684.1 Ų84.177%0.76943%0.434SS*.  trans61.3133.3171.7-71.834.2000115.8Q652 R656Q652-H654 PolarHBondContact O-N 3.06Å; H654-R656 PolarHBondContact O-N 3.45Å
655K37.3Very low56.4Low217 Ų21784.4 Ų84.494%0.94344%0.436SS*.  trans-51101.2173.6-73.9-178.8176.5179.30110.6
656R40.1Very low56.3Low201 Ų20186.9 Ų86.976%0.75845%0.448SS*.  trans-102.7138.6164.8-71.4-169.2-176.5-169.81.8109.5H654 G658 S659H654-R656 PolarHBondContact O-N 3.45Å; R656-G658 PolarHBondContact O-N 3.46Å; R656-S659 PolarHBondContact O-OG 3.01Å
657E37.9Very low56.4Low204 Ų20484.4 Ų84.495%0.95344%0.436SS*.THydrogen-bonded Turntrans-52.4133.3170-70.7174.4154.500110.2
658G50Low57.1Low86 Ų8681.5 Ų81.589%0.88742%0.422SS*.THydrogen-bonded Turntrans96.45.1178.900000116.4R656R656-G658 PolarHBondContact O-N 3.46Å
659S57.4Low58Low53 Ų5379.4 Ų79.437%0.37141%0.414SS..PPolyproline II helixtrans-87138.117052.10000111.4R656R656-S659 PolarHBondContact O-OG 3.01Å
660L58.6Low59.5Low14 Ų1477.3 Ų77.37%0.07340%0.398CS..PPolyproline II helixtrans-59.8141.3171.8-65.4171.5000109.6A592 R664 F665A592-L660 HydrophobicContact CB-CD1 4.3Å; A592-L660 HydrophobicContact CB-CD2 3.92Å; L660-R664 HydrophobicContact CB-CB 4.48Å; L660-R664 HydrophobicContact CD2-CG 4.09Å; L660-F665 HydrophobicContact CB-CB 4.22Å
661S65.3Low61.1Low44 Ų4469.4 Ų69.431%0.30837%0.368SS..PPolyproline II helixtrans-51144.5167.460.40000110.8D448 Y663 R664 F665D448-S661 WeakPolarHBondContact OD1-CB 3.45Å; D448-S661 PolarHBondContact OD1-N 2.93Å; D448-S661 PolarHBondContact OD1-OG 2.92Å; D448-S661 VanDerWaalsContact OD1-OG 3.1Å; S661-Y663 PolarHBondContact O-N 3.48Å; S661-R664 PolarHBondContact O-N 3.19Å; S661-R664 VanDerWaalsContact OG-CB 3.3Å; S661-R664 WeakPolarHBondContact OG-CB 3.27Å; S661-R664 PolarHBondContact OG-N 3.4Å; S661-F665 WeakPolarHBondContact O-CB 3.39Å; S661-F665 PolarHBondContact O-N 3.07Å
662G66.9Low62.9Low42 Ų4266.2 Ų66.243%0.43335%0.351SS..Hα-helixtrans-53.7-34.3-176.400000113.6L666G662-L666 VanDerWaalsContact O-CG 3.28Å; G662-L666 WeakPolarHBondContact O-CG 3.25Å; G662-L666 PolarHBondContact O-N 3.46Å; G662-L666 VanDerWaalsContact O-N 3.16Å
663Y66Low64.7Low114 Ų11461.5 Ų61.545%0.44733%0.329SS..Hα-helixtrans-69.4-44175.1-175.8-102.6000113.3K307 S661 L666 N667K307-Y663 WeakPolarHBondContact CD-OH 3.48Å; K307-Y663 WeakPolarHBondContact CE-OH 3.45Å; K307-Y663 PolarHBondContact NZ-OH 3.11Å; K307-Y663 VanDerWaalsContact NZ-OH 3.13Å; S661-Y663 PolarHBondContact O-N 3.48Å; Y663-L666 PolarHBondContact O-N 3.31Å; Y663-N667 WeakPolarHBondContact CE1-ND2 3.29Å; Y663-N667 PolarHBondContact O-N 2.55Å; Y663-N667 PolarHBondContact O-ND2 3.43Å
664R70.9Confident66.5Low4 Ų460 Ų602%0.01531%0.311CS..Hα-helixtrans-68.4-40.3178.6-175168.5178.9-148.410.7111.4E447 E596 L660 S661 L666 N667 H668E447-R664 PolarHBondContact O-NH1 3.41Å; E596-R664 IonicContact OE1-NE 3.26Å; E596-R664 PolarHBondContact OE1-NE 3.14Å; E596-R664 IonicContact OE1-NH2 3.87Å; E596-R664 IonicContact OE2-CZ 2.67Å; E596-R664 IonicContact OE2-NE 2.78Å; E596-R664 PolarHBondContact OE2-NE 2.88Å; E596-R664 IonicContact OE2-NH2 3.62Å; E596-R664 PolarHBondContact OE2-NH2 3.44Å; L660-R664 HydrophobicContact CB-CB 4.48Å; L660-R664 HydrophobicContact CD2-CG 4.09Å; S661-R664 PolarHBondContact O-N 3.19Å; S661-R664 VanDerWaalsContact OG-CB 3.3Å; S661-R664 WeakPolarHBondContact OG-CB 3.27Å; S661-R664 PolarHBondContact OG-N 3.4Å; R664-L666 VanDerWaalsContact C-N 3.34Å; R664-L666 PolarHBondContact O-N 3.34Å; R664-N667 PolarHBondContact O-N 3.46Å; R664-H668 WeakPolarHBondContact O-CB 3.37Å; R664-H668 PolarHBondContact O-N 2.71Å
665F74.6Confident68.8Low5 Ų552.1 Ų52.12%0.02228%0.275CS..Hα-helixtrans-53.2-49.5171.9173.6-95.2000112C644 Q647 R648 L651 L660 S661 N667 H668 D669C644-F665 HydrophobicContact CB-CE2 4.04Å; C644-F665 HydrophobicContact CB-CZ 4.26Å; C644-F665 WeakPolarHBondContact O-CE2 3.15Å; C644-F665 WeakPolarHBondContact O-CZ 3.3Å; Q647-F665 HydrophobicContact CB-CD2 4.36Å; Q647-F665 HydrophobicContact CB-CE2 4.12Å; R648-F665 HydrophobicContact CB-CE1 3.99Å; R648-F665 HydrophobicContact CB-CE2 4.21Å; R648-F665 HydrophobicContact CB-CZ 3.57Å; R648-F665 HydrophobicContact CG-CE1 3.85Å; R648-F665 HydrophobicContact CG-CZ 3.98Å; L651-F665 HydrophobicContact CD1-CB 4.15Å; L651-F665 HydrophobicContact CD1-CD1 4.31Å; L651-F665 HydrophobicContact CD1-CD2 4.29Å; L651-F665 HydrophobicContact CD1-CG 3.94Å; L660-F665 HydrophobicContact CB-CB 4.22Å; S661-F665 WeakPolarHBondContact O-CB 3.39Å; S661-F665 PolarHBondContact O-N 3.07Å; F665-N667 VanDerWaalsContact C-N 3.34Å; F665-N667 PolarHBondContact O-N 2.88Å; F665-H668 PolarHBondContact O-N 3.29Å; F665-D669 HydrophobicContact CE1-CB 4.4Å; F665-D669 HydrophobicContact CZ-CB 4.37Å; F665-D669 WeakPolarHBondContact O-CB 3.49Å; F665-D669 PolarHBondContact O-N 3.19Å
666L74.1Confident71.4Confident58 Ų5841.8 Ų41.830%0.30423%0.23SC..Hα-helixtrans-62.3-39.5179-72.2170.4000112.6G662 Y663 R664 R670 W723G662-L666 VanDerWaalsContact O-CG 3.28Å; G662-L666 WeakPolarHBondContact O-CG 3.25Å; G662-L666 PolarHBondContact O-N 3.46Å; G662-L666 VanDerWaalsContact O-N 3.16Å; Y663-L666 PolarHBondContact O-N 3.31Å; R664-L666 VanDerWaalsContact C-N 3.34Å; R664-L666 PolarHBondContact O-N 3.34Å; L666-R670 VanDerWaalsContact O-CB 3.28Å; L666-R670 WeakPolarHBondContact O-CB 3.49Å; L666-R670 PolarHBondContact O-N 3.17Å; L666-W723 HydrophobicContact CD2-CZ2 4.15Å
667N73.3Confident73.5Confident21 Ų2132.3 Ų32.311%0.11219%0.194CC..Hα-helixtrans-64.5-43.6175.5-70.8-34.4000111.7Y663 R664 F665 R670 L671Y663-N667 WeakPolarHBondContact CE1-ND2 3.29Å; Y663-N667 PolarHBondContact O-N 2.55Å; Y663-N667 PolarHBondContact O-ND2 3.43Å; R664-N667 PolarHBondContact O-N 3.46Å; F665-N667 VanDerWaalsContact C-N 3.34Å; F665-N667 PolarHBondContact O-N 2.88Å; N667-R670 PolarHBondContact O-N 3.11Å; N667-L671 WeakPolarHBondContact O-CG 3.45Å; N667-L671 PolarHBondContact O-N 3.3Å
668H80.9Confident75.6Confident6 Ų623 Ų233%0.02815%0.153CC..Hα-helixtrans-62.6-48.6178.1-168.459.8000111.2E596 L640 C644 R664 F665 R670 L671 V672E596-H668 VanDerWaalsContact CG-ND1 3.29Å; E596-H668 WeakPolarHBondContact CG-ND1 3.19Å; L640-H668 WeakPolarHBondContact CD1-NE2 3.11Å; C644-H668 PolarHBondContact SG-CD2 3.41Å; R664-H668 WeakPolarHBondContact O-CB 3.37Å; R664-H668 PolarHBondContact O-N 2.71Å; F665-H668 PolarHBondContact O-N 3.29Å; H668-R670 VanDerWaalsContact C-N 3.33Å; H668-R670 PolarHBondContact O-N 3.45Å; H668-L671 PolarHBondContact O-N 2.76Å; H668-V672 WeakPolarHBondContact O-CG2 3.12Å; H668-V672 PolarHBondContact O-N 2.86Å
669D81.9Confident77.5Confident0 Ų019 Ų190%011%0.111CC..Hα-helixtrans-54.9-47.5175-174.666.9000112.1F665 L671 V672 C673 W723 R724F665-D669 HydrophobicContact CE1-CB 4.4Å; F665-D669 HydrophobicContact CZ-CB 4.37Å; F665-D669 WeakPolarHBondContact O-CB 3.49Å; F665-D669 PolarHBondContact O-N 3.19Å; D669-L671 PolarHBondContact O-N 3.05Å; D669-V672 PolarHBondContact O-N 2.99Å; D669-C673 PolarHBondContact O-N 3.25Å; D669-C673 PolarHBondContact O-SG 2.94Å; D669-C673 VanDerWaalsContact O-SG 3.36Å; D669-W723 PolarHBondContact OD2-NE1 2.68Å; D669-R724 VanDerWaalsContact CG-NH2 3.31Å; D669-R724 IonicContact OD1-CZ 2.86Å; D669-R724 IonicContact OD1-NE 3.85Å; D669-R724 PolarHBondContact OD1-NE 3.2Å; D669-R724 IonicContact OD1-NH2 2.98Å; D669-R724 PolarHBondContact OD1-NH2 3.17Å; D669-R724 IonicContact OD2-CZ 2.83Å; D669-R724 IonicContact OD2-NE 3.97Å; D669-R724 PolarHBondContact OD2-NE 3.45Å; D669-R724 IonicContact OD2-NH2 3.7Å; D669-R724 PolarHBondContact OD2-NH2 3.45Å
670R80.8Confident78.8Confident12 Ų1216.4 Ų16.45%0.0459%0.093CC..Hα-helixtrans-61.5-44.9178.5-175.1-173.769.4135.44.6112.8A304 T306 L666 N667 H668 V672 C673 N674 W723A304-R670 PolarHBondContact O-NH2 3.19Å; T306-R670 PolarHBondContact O-NH1 2.91Å; T306-R670 PolarHBondContact O-NH2 3.2Å; L666-R670 VanDerWaalsContact O-CB 3.28Å; L666-R670 WeakPolarHBondContact O-CB 3.49Å; L666-R670 PolarHBondContact O-N 3.17Å; N667-R670 PolarHBondContact O-N 3.11Å; H668-R670 VanDerWaalsContact C-N 3.33Å; H668-R670 PolarHBondContact O-N 3.45Å; R670-V672 VanDerWaalsContact C-N 3.28Å; R670-V672 PolarHBondContact O-N 3.49Å; R670-C673 PolarHBondContact O-N 2.86Å; R670-N674 WeakPolarHBondContact O-CB 3.43Å; R670-N674 VanDerWaalsContact O-CG 3.28Å; R670-N674 PolarHBondContact O-N 3.48Å; R670-W723 HydrophobicContact CB-CD2 3.86Å; R670-W723 HydrophobicContact CB-CE3 4.26Å; R670-W723 HydrophobicContact CB-CG 4.19Å; R670-W723 HydrophobicContact CB-CZ2 4.17Å; R670-W723 HydrophobicContact CG-CB 4.35Å; R670-W723 HydrophobicContact CG-CD2 3.7Å; R670-W723 HydrophobicContact CG-CE3 3.79Å; R670-W723 HydrophobicContact CG-CG 3.96Å; R670-W723 HydrophobicContact CG-CZ3 4.35Å
671L84.4Confident79.9Confident2 Ų217.3 Ų17.31%0.0110%0.1CC..Hα-helixtrans-57.1-45.1178-76.2171.9000111.2A304 W451 E596 V599 N667 H668 D669 N674 L675A304-L671 HydrophobicContact CB-CD2 3.68Å; A304-L671 WeakPolarHBondContact O-CD2 3.34Å; W451-L671 HydrophobicContact CH2-CD1 4.37Å; W451-L671 HydrophobicContact CZ2-CD1 3.79Å; E596-L671 HydrophobicContact CB-CD1 4.19Å; E596-L671 HydrophobicContact CG-CD1 4.24Å; V599-L671 HydrophobicContact CG1-CB 3.83Å; V599-L671 WeakPolarHBondContact CG1-O 3.46Å; N667-L671 WeakPolarHBondContact O-CG 3.45Å; N667-L671 PolarHBondContact O-N 3.3Å; H668-L671 PolarHBondContact O-N 2.76Å; D669-L671 PolarHBondContact O-N 3.05Å; L671-N674 PolarHBondContact O-N 2.9Å; L671-L675 PolarHBondContact O-N 3.27Å
672V88.8Confident80.7Confident0 Ų015.2 Ų15.20%09%0.085CC..Hα-helixtrans-66.5-44.3179-178.80000111.3V599 A637 L640 F641 H668 D669 R670 N674 L675 L676V599-V672 HydrophobicContact CG2-CG2 4.46Å; A637-V672 VanDerWaalsContact O-CG1 3.28Å; A637-V672 WeakPolarHBondContact O-CG1 3.31Å; L640-V672 HydrophobicContact CB-CG1 4.34Å; L640-V672 HydrophobicContact CB-CG2 4.23Å; L640-V672 HydrophobicContact CD2-CG2 3.47Å; L640-V672 VanDerWaalsContact CD2-CG2 3.47Å; L640-V672 HydrophobicContact CG-CG2 3.64Å; F641-V672 HydrophobicContact CB-CG1 3.75Å; H668-V672 WeakPolarHBondContact O-CG2 3.12Å; H668-V672 PolarHBondContact O-N 2.86Å; D669-V672 PolarHBondContact O-N 2.99Å; R670-V672 VanDerWaalsContact C-N 3.28Å; R670-V672 PolarHBondContact O-N 3.49Å; V672-N674 VanDerWaalsContact C-N 3.29Å; V672-N674 PolarHBondContact O-N 3.45Å; V672-L675 PolarHBondContact O-N 3Å; V672-L676 HydrophobicContact CG1-CD1 4.2Å; V672-L676 PolarHBondContact O-N 2.88Å
673C85.9Confident81.6Confident0 Ų014.8 Ų14.80%07%0.072CC..Hα-helixtrans-62.7-35.4176.4-70.90000112.6D669 R670 S677 W723D669-C673 PolarHBondContact O-N 3.25Å; D669-C673 PolarHBondContact O-SG 2.94Å; D669-C673 VanDerWaalsContact O-SG 3.36Å; R670-C673 PolarHBondContact O-N 2.86Å; C673-S677 VanDerWaalsContact O-CB 3.27Å; C673-S677 WeakPolarHBondContact O-CB 3.5Å; C673-S677 PolarHBondContact O-N 3.33Å; C673-S677 PolarHBondContact O-OG 3.5Å; C673-W723 HydrophobicContact CB-CB 4.13Å; C673-W723 HydrophobicContact CB-CG 4.22Å
674N83.4Confident82.3Confident11 Ų1112.5 Ų12.56%0.0597%0.068CC..Hα-helixtrans-66.6-44.3175-74-12.8000111.4H603 R670 L671 V672 S677 A678H603-N674 PolarHBondContact CD2-O 2.92Å; R670-N674 WeakPolarHBondContact O-CB 3.43Å; R670-N674 VanDerWaalsContact O-CG 3.28Å; R670-N674 PolarHBondContact O-N 3.48Å; L671-N674 PolarHBondContact O-N 2.9Å; V672-N674 VanDerWaalsContact C-N 3.29Å; V672-N674 PolarHBondContact O-N 3.45Å; N674-S677 PolarHBondContact O-N 3.28Å; N674-A678 WeakPolarHBondContact O-CB 3.29Å; N674-A678 PolarHBondContact O-N 3.3Å
675L87.4Confident82.6Confident0 Ų013.3 Ų13.30%07%0.074CC..Hα-helixtrans-59.1-50.1174.1174.759.5000111.5V599 L602 H603 V606 I633 F636 A637 L671 V672 S677 A678 L679V599-L675 HydrophobicContact CG1-CB 4.08Å; V599-L675 HydrophobicContact CG1-CD2 4.13Å; V599-L675 HydrophobicContact CG2-CD2 4.39Å; L602-L675 HydrophobicContact CB-CD1 4.09Å; L602-L675 HydrophobicContact CB-CD2 4.17Å; L602-L675 HydrophobicContact CD1-CD2 4.42Å; H603-L675 HydrophobicContact CB-CB 4.47Å; H603-L675 HydrophobicContact CB-CD1 4.39Å; V606-L675 HydrophobicContact CG2-CD1 4.07Å; I633-L675 HydrophobicContact CG2-CD1 4.41Å; F636-L675 HydrophobicContact CE1-CD2 4.41Å; A637-L675 HydrophobicContact CB-CD2 3.86Å; A637-L675 HydrophobicContact CB-CG 4.16Å; L671-L675 PolarHBondContact O-N 3.27Å; V672-L675 PolarHBondContact O-N 3Å; L675-S677 VanDerWaalsContact C-N 3.3Å; L675-S677 PolarHBondContact O-N 3.35Å; L675-A678 PolarHBondContact O-N 3.15Å; L675-L679 HydrophobicContact CD1-CD1 4.21Å; L675-L679 HydrophobicContact CD1-CG 4.26Å; L675-L679 HydrophobicContact CG-CD1 4.1Å; L675-L679 VanDerWaalsContact O-CG 3.32Å; L675-L679 WeakPolarHBondContact O-CG 3.41Å; L675-L679 PolarHBondContact O-N 2.99Å
676L90.9Very high82.5Confident0 Ų019.4 Ų19.40%011%0.111CC..Hα-helixtrans-59.1-41.8176.2-73.8170.9000111.9W634 A637 F641 V672 A678 L679 F680 I703 L727W634-L676 HydrophobicContact CE3-CD2 4.27Å; W634-L676 HydrophobicContact CZ3-CD2 4.2Å; A637-L676 HydrophobicContact CB-CD2 3.59Å; A637-L676 HydrophobicContact CB-CG 3.99Å; F641-L676 HydrophobicContact CB-CD1 3.88Å; F641-L676 HydrophobicContact CD2-CD1 4.27Å; F641-L676 HydrophobicContact CG-CD1 4.03Å; V672-L676 HydrophobicContact CG1-CD1 4.2Å; V672-L676 PolarHBondContact O-N 2.88Å; L676-A678 PolarHBondContact O-N 3.07Å; L676-L679 HydrophobicContact CD2-CD1 4.47Å; L676-L679 WeakPolarHBondContact O-CB 3.44Å; L676-L679 PolarHBondContact O-N 2.93Å; L676-F680 WeakPolarHBondContact O-CD2 3.43Å; L676-F680 PolarHBondContact O-N 3.42Å; L676-I703 HydrophobicContact CD1-CD1 4.23Å; L676-I703 HydrophobicContact CD2-CD1 4.43Å; L676-L727 HydrophobicContact CB-CD1 3.61Å; L676-L727 HydrophobicContact CB-CD2 4.46Å; L676-L727 HydrophobicContact CD1-CD1 4.37Å; L676-L727 HydrophobicContact CD1-CD2 3.88Å
677S85Confident82.5Confident2 Ų222.9 Ų22.91%0.01412%0.121CC..Hα-helixtrans-61.7-43.8177-62.90000111.6C673 N674 L675 L679 F680 C681C673-S677 VanDerWaalsContact O-CB 3.27Å; C673-S677 WeakPolarHBondContact O-CB 3.5Å; C673-S677 PolarHBondContact O-N 3.33Å; C673-S677 PolarHBondContact O-OG 3.5Å; N674-S677 PolarHBondContact O-N 3.28Å; L675-S677 VanDerWaalsContact C-N 3.3Å; L675-S677 PolarHBondContact O-N 3.35Å; S677-L679 VanDerWaalsContact C-N 3.33Å; S677-L679 PolarHBondContact O-N 3.25Å; S677-F680 PolarHBondContact O-N 2.94Å; S677-C681 WeakPolarHBondContact O-CB 3.25Å; S677-C681 PolarHBondContact O-N 3Å; S677-C681 PolarHBondContact O-SG 2.75Å
678A81.2Confident82.8Confident10 Ų1022.2 Ų22.28%0.08312%0.117CC..Hα-helixtrans-62.7-41.1176.200000111.7V606 V607 N674 L675 L676 C681 L682V606-A678 HydrophobicContact CB-CB 4.48Å; V606-A678 HydrophobicContact CG1-CB 3.84Å; V607-A678 HydrophobicContact CG2-CB 3.99Å; N674-A678 WeakPolarHBondContact O-CB 3.29Å; N674-A678 PolarHBondContact O-N 3.3Å; L675-A678 PolarHBondContact O-N 3.15Å; L676-A678 PolarHBondContact O-N 3.07Å; A678-C681 PolarHBondContact O-N 3.12Å; A678-L682 WeakPolarHBondContact O-CB 3.39Å; A678-L682 PolarHBondContact O-N 3.42Å
679L90Very high82.8Confident0 Ų027.4 Ų27.40%015%0.145CC..Hα-helixtrans-63.6-43.6175.1-71.4168.6000112.1V606 Y630 I633 W634 A637 L675 L676 S677 L682 H683V606-L679 HydrophobicContact CB-CD2 4.47Å; V606-L679 HydrophobicContact CG1-CD2 3.87Å; V606-L679 HydrophobicContact CG1-CG 4.18Å; V606-L679 HydrophobicContact CG2-CD2 3.7Å; V606-L679 HydrophobicContact CG2-CG 4.36Å; Y630-L679 HydrophobicContact CD2-CD2 4.36Å; Y630-L679 HydrophobicContact CE2-CD2 3.6Å; I633-L679 HydrophobicContact CG2-CD1 4.03Å; I633-L679 HydrophobicContact CG2-CD2 4.02Å; W634-L679 HydrophobicContact CD2-CB 4.15Å; W634-L679 HydrophobicContact CD2-CD1 4.06Å; W634-L679 HydrophobicContact CE3-CB 4.29Å; W634-L679 HydrophobicContact CE3-CD1 4.14Å; W634-L679 HydrophobicContact CG-CD1 4.4Å; W634-L679 HydrophobicContact CH2-CB 3.65Å; W634-L679 VanDerWaalsContact CZ2-C 3.45Å; W634-L679 HydrophobicContact CZ2-CB 3.46Å; W634-L679 VanDerWaalsContact CZ2-CB 3.46Å; W634-L679 WeakPolarHBondContact CZ2-O 3.36Å; W634-L679 HydrophobicContact CZ3-CB 4.05Å; A637-L679 HydrophobicContact CB-CD1 4.06Å; L675-L679 HydrophobicContact CD1-CD1 4.21Å; L675-L679 HydrophobicContact CD1-CG 4.26Å; L675-L679 HydrophobicContact CG-CD1 4.1Å; L675-L679 VanDerWaalsContact O-CG 3.32Å; L675-L679 WeakPolarHBondContact O-CG 3.41Å; L675-L679 PolarHBondContact O-N 2.99Å; L676-L679 HydrophobicContact CD2-CD1 4.47Å; L676-L679 WeakPolarHBondContact O-CB 3.44Å; L676-L679 PolarHBondContact O-N 2.93Å; S677-L679 VanDerWaalsContact C-N 3.33Å; S677-L679 PolarHBondContact O-N 3.25Å; L679-L682 PolarHBondContact O-N 3.23Å; L679-H683 WeakPolarHBondContact O-CB 3.45Å; L679-H683 PolarHBondContact O-N 2.72Å
680F85.8Confident82.9Confident0 Ų030.6 Ų30.60%016%0.16CC..Hα-helixtrans-63.1-43.7174.1-84-66.4000112W634 L676 S677 L682 H683 N684 V696 I699 I703 L727 L730W634-F680 HydrophobicContact CH2-CB 4.45Å; W634-F680 AromaticContact CH2-CD1 3.75Å; W634-F680 HydrophobicContact CH2-CD1 3.75Å; W634-F680 AromaticContact CH2-CD2 3.99Å; W634-F680 HydrophobicContact CH2-CD2 3.99Å; W634-F680 AromaticContact CH2-CE1 3.86Å; W634-F680 HydrophobicContact CH2-CE1 3.86Å; W634-F680 HydrophobicContact CH2-CE2 4.08Å; W634-F680 AromaticContact CH2-CG 3.8Å; W634-F680 HydrophobicContact CH2-CG 3.8Å; W634-F680 HydrophobicContact CH2-CZ 4.01Å; W634-F680 HydrophobicContact CZ3-CD1 4.45Å; W634-F680 HydrophobicContact CZ3-CD2 4.19Å; W634-F680 HydrophobicContact CZ3-CE1 4.18Å; W634-F680 AromaticContact CZ3-CE2 3.89Å; W634-F680 HydrophobicContact CZ3-CE2 3.89Å; W634-F680 HydrophobicContact CZ3-CG 4.44Å; W634-F680 AromaticContact CZ3-CZ 3.89Å; W634-F680 HydrophobicContact CZ3-CZ 3.89Å; L676-F680 WeakPolarHBondContact O-CD2 3.43Å; L676-F680 PolarHBondContact O-N 3.42Å; S677-F680 PolarHBondContact O-N 2.94Å; F680-L682 VanDerWaalsContact C-N 3.27Å; F680-L682 PolarHBondContact O-N 3.22Å; F680-H683 PolarHBondContact O-N 2.94Å; F680-N684 WeakPolarHBondContact O-CB 3.45Å; F680-N684 PolarHBondContact O-N 3.33Å; F680-N684 PolarHBondContact O-ND2 3.13Å; F680-V696 HydrophobicContact CE1-CG2 4.35Å; F680-I699 HydrophobicContact CZ-CG2 4.48Å; F680-I703 HydrophobicContact CE2-CD1 3.72Å; F680-I703 HydrophobicContact CZ-CD1 3.9Å; F680-L727 HydrophobicContact CD2-CD1 3.73Å; F680-L727 HydrophobicContact CE2-CD1 3.66Å; F680-L730 HydrophobicContact CB-CB 3.99Å; F680-L730 HydrophobicContact CB-CD1 4.38Å; F680-L730 HydrophobicContact CD2-CB 4.46Å; F680-L730 HydrophobicContact CG-CB 4.24Å
681C81.3Confident83.1Confident32 Ų3230 Ų3022%0.21616%0.158CC..Hα-helixtrans-58.6-41.6175.3-72.60000111.6S677 A678 S685S677-C681 WeakPolarHBondContact O-CB 3.25Å; S677-C681 PolarHBondContact O-N 3Å; S677-C681 PolarHBondContact O-SG 2.75Å; A678-C681 PolarHBondContact O-N 3.12Å; C681-S685 PolarHBondContact O-N 2.98Å; C681-S685 VanDerWaalsContact O-N 3.14Å
682L81.6Confident83.2Confident0 Ų036 Ų360%018%0.184CC..Hα-helixtrans-65.9-48.7175.7177.157.6000111.6V606 L609 N610 L613 Y630 A678 L679 F680 N684 S685 N688 F691V606-L682 HydrophobicContact CG1-CD2 4.12Å; L609-L682 HydrophobicContact CD2-CD2 3.7Å; L609-L682 HydrophobicContact CG-CD2 4.08Å; N610-L682 HydrophobicContact CB-CB 4.39Å; N610-L682 HydrophobicContact CB-CD1 4.03Å; L613-L682 HydrophobicContact CD1-CD1 3.34Å; Y630-L682 HydrophobicContact CD2-CD2 4.48Å; Y630-L682 HydrophobicContact CE2-CD2 3.55Å; Y630-L682 HydrophobicContact CE2-CG 4.49Å; A678-L682 WeakPolarHBondContact O-CB 3.39Å; A678-L682 PolarHBondContact O-N 3.42Å; L679-L682 PolarHBondContact O-N 3.23Å; F680-L682 VanDerWaalsContact C-N 3.27Å; F680-L682 PolarHBondContact O-N 3.22Å; L682-N684 VanDerWaalsContact C-N 3.28Å; L682-N684 PolarHBondContact O-N 3.47Å; L682-S685 VanDerWaalsContact O-CB 3.31Å; L682-S685 WeakPolarHBondContact O-CB 3.32Å; L682-S685 PolarHBondContact O-N 2.99Å; L682-S685 VanDerWaalsContact O-N 3.16Å; L682-N688 WeakPolarHBondContact O-CB 3.11Å; L682-N688 PolarHBondContact O-ND2 3.34Å; L682-F691 HydrophobicContact CD2-CB 4.45Å
683H85.6Confident83Confident34 Ų3436.4 Ų36.416%0.15719%0.186CC..Hα-helixtrans-58.9-38.8179.5-177.962.7000113W634 L679 F680 C693W634-H683 HydrophobicContact CZ2-CB 4.01Å; L679-H683 WeakPolarHBondContact O-CB 3.45Å; L679-H683 PolarHBondContact O-N 2.72Å; F680-H683 PolarHBondContact O-N 2.94Å; H683-C693 PolarHBondContact ND1-N 3.38Å
684N80.2Confident82.9Confident66 Ų6640.9 Ų40.935%0.35322%0.223SC..THydrogen-bonded Turntrans-89.10.6-179.1-65.7-25.4000113.7F680 L682 T686 T733 C734F680-N684 WeakPolarHBondContact O-CB 3.45Å; F680-N684 PolarHBondContact O-N 3.33Å; F680-N684 PolarHBondContact O-ND2 3.13Å; L682-N684 VanDerWaalsContact C-N 3.28Å; L682-N684 PolarHBondContact O-N 3.47Å; N684-T686 PolarHBondContact O-N 3.21Å; N684-T733 PolarHBondContact ND2-OG1 2.98Å; N684-C734 PolarHBondContact OD1-SG 3.5Å
685S78.2Confident83.1Confident21 Ų2143.6 Ų43.615%0.14724%0.237CC..  trans-67.4129.7179.8-179.70000110.9C681 L682 R687 N688C681-S685 PolarHBondContact O-N 2.98Å; C681-S685 VanDerWaalsContact O-N 3.14Å; L682-S685 VanDerWaalsContact O-CB 3.31Å; L682-S685 WeakPolarHBondContact O-CB 3.32Å; L682-S685 PolarHBondContact O-N 2.99Å; L682-S685 VanDerWaalsContact O-N 3.16Å; S685-R687 PolarHBondContact O-N 3.38Å; S685-N688 WeakPolarHBondContact O-CB 3.14Å; S685-N688 PolarHBondContact O-N 3.3Å
686T72.9Confident83Confident132 Ų13245 Ų4581%0.8125%0.246SC*.THydrogen-bonded Turntrans-64.7-24.3-179.254.20000113.5N684N684-T686 PolarHBondContact O-N 3.21Å
687R73.1Confident82.8Confident132 Ų13248.3 Ų48.350%0.49827%0.269SS..THydrogen-bonded Turntrans-88.3-4.9176-67.6-172.8175.5-160.4-2113.1Y614 S685 N689Y614-R687 WeakPolarHBondContact O-CD 3.38Å; Y614-R687 PolarHBondContact O-NH1 3.29Å; S685-R687 PolarHBondContact O-N 3.38Å; R687-N689 PolarHBondContact O-N 3.48Å
688N80.2Confident83Confident6 Ų651.2 Ų51.23%0.03229%0.285CS..  trans-89.197.9-179.5-179.917.1000111.8L682 S685 H690 F691L682-N688 WeakPolarHBondContact O-CB 3.11Å; L682-N688 PolarHBondContact O-ND2 3.34Å; S685-N688 WeakPolarHBondContact O-CB 3.14Å; S685-N688 PolarHBondContact O-N 3.3Å; N688-H690 PolarHBondContact OD1-N 3.2Å; N688-F691 PolarHBondContact ND2-O 3.47Å; N688-F691 WeakPolarHBondContact OD1-CA 3.29Å; N688-F691 WeakPolarHBondContact OD1-CB 3.49Å; N688-F691 PolarHBondContact OD1-N 3.35Å
689N79.7Confident83.3Confident116 Ų11650.8 Ų50.862%0.6228%0.281SS*.SBendtrans-88.4-20.5177-67.8-30000113.8R687R687-N689 PolarHBondContact O-N 3.48Å
690H84Confident83.2Confident67 Ų6750.8 Ų50.831%0.3128%0.281SS..SBendtrans-116.2-42.9-164.6-56.2-65.3000114.1P622 L627 N688 K692P622-H690 HydrophobicContact CG-CB 3.56Å; L627-H690 WeakPolarHBondContact CD2-O 3.44Å; N688-H690 PolarHBondContact OD1-N 3.2Å; H690-K692 VanDerWaalsContact C-N 3.29Å; H690-K692 PolarHBondContact O-N 3.3Å
691F86Confident83.2Confident0 Ų053.5 Ų53.50%030%0.3CS..  trans-8369.2-175.6-69.9-87.7000111.9Y572 L579 L609 L613 P622 V626 L627 Y630 L682 N688Y572-F691 AromaticContact CE2-CE2 3.99Å; Y572-F691 HydrophobicContact CE2-CE2 3.99Å; Y572-F691 HydrophobicContact CE2-CZ 4.26Å; Y572-F691 VanDerWaalsContact OH-CE2 3.31Å; Y572-F691 WeakPolarHBondContact OH-CE2 3.4Å; Y572-F691 WeakPolarHBondContact OH-CZ 3.33Å; L579-F691 HydrophobicContact CD1-CE1 4.32Å; L609-F691 HydrophobicContact CD1-CD2 4.42Å; L609-F691 HydrophobicContact CD1-CE2 3.84Å; L609-F691 HydrophobicContact CD1-CZ 3.92Å; L609-F691 HydrophobicContact CD2-CD1 3.98Å; L609-F691 HydrophobicContact CD2-CD2 4.45Å; L609-F691 HydrophobicContact CD2-CE1 3.84Å; L609-F691 HydrophobicContact CD2-CE2 4.34Å; L609-F691 HydrophobicContact CD2-CG 4.27Å; L609-F691 HydrophobicContact CD2-CZ 4.04Å; L613-F691 HydrophobicContact CD1-CD2 3.75Å; L613-F691 HydrophobicContact CD1-CE2 4.24Å; L613-F691 HydrophobicContact CD2-CD2 4.36Å; P622-F691 HydrophobicContact CB-CE2 4.42Å; P622-F691 HydrophobicContact CB-CZ 4.14Å; P622-F691 HydrophobicContact CG-CD2 4.5Å; P622-F691 HydrophobicContact CG-CE2 3.84Å; P622-F691 HydrophobicContact CG-CZ 4.05Å; V626-F691 HydrophobicContact CG1-CE1 3.74Å; V626-F691 HydrophobicContact CG1-CZ 3.84Å; L627-F691 HydrophobicContact CD2-CD1 4.18Å; L627-F691 HydrophobicContact CD2-CE1 4.36Å; Y630-F691 HydrophobicContact CD1-CB 4.15Å; Y630-F691 AromaticContact CD1-CD1 3.96Å; Y630-F691 HydrophobicContact CD1-CD1 3.96Å; Y630-F691 AromaticContact CD2-CD1 3.9Å; Y630-F691 HydrophobicContact CD2-CD1 3.9Å; Y630-F691 HydrophobicContact CE1-CB 3.87Å; Y630-F691 HydrophobicContact CE1-CD1 4.46Å; Y630-F691 WeakPolarHBondContact CE1-O 3.31Å; Y630-F691 HydrophobicContact CE2-CB 4.45Å; Y630-F691 HydrophobicContact CE2-CD1 4.44Å; Y630-F691 AromaticContact CG-CD1 3.63Å; Y630-F691 HydrophobicContact CG-CD1 3.63Å; Y630-F691 HydrophobicContact CG-CE1 4.41Å; Y630-F691 PolarHBondContact OH-O 3.47Å; L682-F691 HydrophobicContact CD2-CB 4.45Å; N688-F691 PolarHBondContact ND2-O 3.47Å; N688-F691 WeakPolarHBondContact OD1-CA 3.29Å; N688-F691 WeakPolarHBondContact OD1-CB 3.49Å; N688-F691 PolarHBondContact OD1-N 3.35Å
692K85.7Confident83.6Confident128 Ų12853.9 Ų53.956%0.55730%0.297SS*.  trans-99.1133.2175.2-64.2-173.9-179-179.90110.7H690 A694H690-K692 VanDerWaalsContact C-N 3.29Å; H690-K692 PolarHBondContact O-N 3.3Å; K692-A694 PolarHBondContact O-N 3.42Å
693C85.7Confident83.8Confident8 Ų853.9 Ų53.95%0.05430%0.297CS..  trans-70.6116.3170.2-178.40000108.4N631 W634 H683 N695 V696N631-C693 WeakPolarHBondContact OD1-CA 3.48Å; W634-C693 HydrophobicContact CD2-CB 4.1Å; W634-C693 HydrophobicContact CG-CB 4.13Å; W634-C693 HydrophobicContact CZ2-CB 4.22Å; H683-C693 PolarHBondContact ND1-N 3.38Å; C693-N695 PolarHBondContact O-N 2.83Å; C693-V696 HydrophobicContact CB-CB 4.11Å
694A84.2Confident83.7Confident93 Ų9352.5 Ų52.577%0.76929%0.29SS*.THydrogen-bonded Turntrans-63-29.3-178.900000112.2N631 K692N631-A694 PolarHBondContact OD1-N 3.4Å; N631-A694 VanDerWaalsContact OD1-N 3.1Å; K692-A694 PolarHBondContact O-N 3.42Å
695N86.3Confident83.8Confident68 Ų6852.3 Ų52.336%0.36429%0.291SS..THydrogen-bonded Turntrans-114.428.9-172.7-156.712.5000113.6C693 S697 N698 I699C693-N695 PolarHBondContact O-N 2.83Å; N695-S697 PolarHBondContact O-N 3.24Å; N695-S697 VanDerWaalsContact O-N 3.1Å; N695-N698 VanDerWaalsContact CG-CB 3.4Å; N695-N698 WeakPolarHBondContact ND2-CB 3.45Å; N695-N698 PolarHBondContact ND2-ND2 2.88Å; N695-N698 WeakPolarHBondContact O-CB 3.22Å; N695-N698 PolarHBondContact O-N 3.41Å; N695-N698 WeakPolarHBondContact OD1-CB 3.39Å; N695-I699 WeakPolarHBondContact O-CG1 3.32Å; N695-I699 PolarHBondContact O-N 3.37Å
696V86.8Confident84.1Confident29 Ų2951.5 Ų51.518%0.17629%0.286CS..Hα-helixtrans-53.9-37-172.169.30000113.5F680 C693 N698 I699 C700 C734F680-V696 HydrophobicContact CE1-CG2 4.35Å; C693-V696 HydrophobicContact CB-CB 4.11Å; V696-N698 PolarHBondContact O-N 3.47Å; V696-I699 PolarHBondContact O-N 2.87Å; V696-C700 PolarHBondContact O-N 3.28Å; V696-C700 PolarHBondContact O-SG 2.99Å; V696-C700 VanDerWaalsContact O-SG 3.41Å; V696-C734 HydrophobicContact CG2-CB 4.03Å
697S86Confident84.3Confident70 Ų7045.4 Ų45.449%0.4925%0.249SC..Hα-helixtrans-60.8-45.2177.8179.50000112.1N695 C700 S701 L735N695-S697 PolarHBondContact O-N 3.24Å; N695-S697 VanDerWaalsContact O-N 3.1Å; S697-C700 PolarHBondContact O-N 3.37Å; S697-S701 WeakPolarHBondContact O-CB 3.18Å; S697-S701 PolarHBondContact O-N 2.93Å; S697-L735 VanDerWaalsContact OG-CD1 3.27Å; S697-L735 WeakPolarHBondContact OG-CD1 3.48Å
698N88.1Confident84.2Confident64 Ų6442 Ų4234%0.34224%0.239SC..Hα-helixtrans-67.9-41.2176.3-175.444.6000111.6N695 V696 C700 S701 R702N695-N698 VanDerWaalsContact CG-CB 3.4Å; N695-N698 WeakPolarHBondContact ND2-CB 3.45Å; N695-N698 PolarHBondContact ND2-ND2 2.88Å; N695-N698 WeakPolarHBondContact O-CB 3.22Å; N695-N698 PolarHBondContact O-N 3.41Å; N695-N698 WeakPolarHBondContact OD1-CB 3.39Å; V696-N698 PolarHBondContact O-N 3.47Å; N698-C700 VanDerWaalsContact C-N 3.35Å; N698-C700 PolarHBondContact O-N 2.97Å; N698-S701 WeakPolarHBondContact O-CB 3.29Å; N698-S701 PolarHBondContact O-N 3.42Å; N698-R702 WeakPolarHBondContact O-CB 3.46Å; N698-R702 VanDerWaalsContact O-CG 3.28Å; N698-R702 WeakPolarHBondContact O-CG 3.32Å; N698-R702 PolarHBondContact O-N 3.3Å
699I88.9Confident83.6Confident0 Ų049.3 Ų49.30%027%0.266CS..Hα-helixtrans-56.7-49.9174.8-61.8-63000110.3W634 V638 F680 N695 V696 S701 R702 I703W634-I699 HydrophobicContact CB-CD1 4.48Å; W634-I699 HydrophobicContact CE3-CG1 4.37Å; W634-I699 HydrophobicContact CE3-CG2 3.74Å; W634-I699 HydrophobicContact CZ3-CG2 3.79Å; V638-I699 HydrophobicContact CB-CD1 4.07Å; V638-I699 HydrophobicContact CB-CG2 4.34Å; V638-I699 HydrophobicContact CG1-CD1 3.5Å; V638-I699 HydrophobicContact CG2-CG2 4.36Å; F680-I699 HydrophobicContact CZ-CG2 4.48Å; N695-I699 WeakPolarHBondContact O-CG1 3.32Å; N695-I699 PolarHBondContact O-N 3.37Å; V696-I699 PolarHBondContact O-N 2.87Å; I699-S701 PolarHBondContact O-N 2.92Å; I699-R702 PolarHBondContact O-N 3.3Å; I699-I703 HydrophobicContact CG2-CD1 3.88Å; I699-I703 WeakPolarHBondContact O-CG1 3.5Å; I699-I703 PolarHBondContact O-N 3.14Å
700C87.1Confident82.9Confident0 Ų044.7 Ų44.70%024%0.243CC..Hα-helixtrans-59.3-46.7176.2-72.50000111.6V696 S697 N698 R702 I703 F704 L735V696-C700 PolarHBondContact O-N 3.28Å; V696-C700 PolarHBondContact O-SG 2.99Å; V696-C700 VanDerWaalsContact O-SG 3.41Å; S697-C700 PolarHBondContact O-N 3.37Å; N698-C700 VanDerWaalsContact C-N 3.35Å; N698-C700 PolarHBondContact O-N 2.97Å; C700-R702 VanDerWaalsContact C-N 3.32Å; C700-R702 PolarHBondContact O-N 3.34Å; C700-I703 PolarHBondContact O-N 3.48Å; C700-F704 HydrophobicContact CB-CD2 4.26Å; C700-F704 HydrophobicContact CB-CE2 4.01Å; C700-F704 WeakPolarHBondContact O-CD2 3.43Å; C700-F704 WeakPolarHBondContact O-CG 3.48Å; C700-F704 PolarHBondContact O-N 3.31Å; C700-L735 HydrophobicContact CB-CB 4Å; C700-L735 HydrophobicContact CB-CD1 4.33Å
701S86.2Confident81.5Confident58 Ų5843.7 Ų43.741%0.40624%0.24SC..Hα-helixtrans-57-43.4177.4-175.90000112.4S697 N698 I699 F704 T705S697-S701 WeakPolarHBondContact O-CB 3.18Å; S697-S701 PolarHBondContact O-N 2.93Å; N698-S701 WeakPolarHBondContact O-CB 3.29Å; N698-S701 PolarHBondContact O-N 3.42Å; I699-S701 PolarHBondContact O-N 2.92Å; S701-F704 PolarHBondContact O-N 3.22Å; S701-T705 VanDerWaalsContact O-CB 3.26Å; S701-T705 WeakPolarHBondContact O-CB 3.46Å; S701-T705 PolarHBondContact O-N 3.45Å; S701-T705 PolarHBondContact O-OG1 2.99Å
702R89.1Confident79.8Confident39 Ų3950.1 Ų50.115%0.14727%0.274CS..Hα-helixtrans-64.9-43.1177-74.1171.468.9-1753.1112.5E635 V638 S639 E642 N698 I699 C700 S706E635-R702 IonicContact OE1-NH1 3.77Å; E635-R702 IonicContact OE2-CZ 2.73Å; E635-R702 IonicContact OE2-NH1 3.76Å; E635-R702 PolarHBondContact OE2-NH1 3.3Å; V638-R702 HydrophobicContact CG2-CB 3.74Å; S639-R702 PolarHBondContact OG-NH2 2.67Å; E642-R702 WeakPolarHBondContact OE1-CB 3.44Å; E642-R702 WeakPolarHBondContact OE1-CG 3.32Å; E642-R702 IonicContact OE1-CZ 2.67Å; E642-R702 IonicContact OE1-NE 3.6Å; E642-R702 PolarHBondContact OE1-NE 3.2Å; E642-R702 IonicContact OE1-NH2 3.22Å; E642-R702 IonicContact OE2-CZ 3.49Å; E642-R702 IonicContact OE2-NE 3.38Å; E642-R702 IonicContact OE2-NH2 2.6Å; E642-R702 PolarHBondContact OE2-NH2 3.22Å; N698-R702 WeakPolarHBondContact O-CB 3.46Å; N698-R702 VanDerWaalsContact O-CG 3.28Å; N698-R702 WeakPolarHBondContact O-CG 3.32Å; N698-R702 PolarHBondContact O-N 3.3Å; I699-R702 PolarHBondContact O-N 3.3Å; C700-R702 VanDerWaalsContact C-N 3.32Å; C700-R702 PolarHBondContact O-N 3.34Å; R702-S706 VanDerWaalsContact O-CB 3.3Å; R702-S706 WeakPolarHBondContact O-CB 3.11Å; R702-S706 PolarHBondContact O-N 3.09Å; R702-S706 PolarHBondContact O-OG 3.16Å
703I87Confident78.1Confident0 Ų047.6 Ų47.60%027%0.266CS..Hα-helixtrans-61.2-51.6174.7-68.8169.3000110.1V638 F641 L676 F680 I699 C700 T705 S706 L707 L727V638-I703 HydrophobicContact CG2-CG1 4.07Å; F641-I703 HydrophobicContact CD1-CG1 4.19Å; F641-I703 HydrophobicContact CE1-CB 4.28Å; F641-I703 HydrophobicContact CE1-CG1 4.36Å; F641-I703 HydrophobicContact CE1-CG2 3.93Å; F641-I703 HydrophobicContact CZ-CG2 4.41Å; L676-I703 HydrophobicContact CD1-CD1 4.23Å; L676-I703 HydrophobicContact CD2-CD1 4.43Å; F680-I703 HydrophobicContact CE2-CD1 3.72Å; F680-I703 HydrophobicContact CZ-CD1 3.9Å; I699-I703 HydrophobicContact CG2-CD1 3.88Å; I699-I703 WeakPolarHBondContact O-CG1 3.5Å; I699-I703 PolarHBondContact O-N 3.14Å; C700-I703 PolarHBondContact O-N 3.48Å; I703-T705 PolarHBondContact O-N 3.19Å; I703-S706 PolarHBondContact O-N 3.38Å; I703-L707 HydrophobicContact CG2-CD1 3.81Å; I703-L707 HydrophobicContact CG2-CG 4.47Å; I703-L707 WeakPolarHBondContact O-CB 3.39Å; I703-L707 WeakPolarHBondContact O-CG 3.42Å; I703-L707 PolarHBondContact O-N 3.03Å; I703-L727 HydrophobicContact CD1-CD1 4.45Å; I703-L727 HydrophobicContact CG2-CD2 4.03Å; I703-L727 HydrophobicContact CG2-CG 4.25Å
704F82.8Confident76.4Confident6 Ų651.2 Ų51.23%0.02629%0.285CS..Hα-helixtrans-63.2-42.3-179.9-70.3-53.6000112.4C700 S701 S706 L707 M708 I728 S731 L735 L737 L741C700-F704 HydrophobicContact CB-CD2 4.26Å; C700-F704 HydrophobicContact CB-CE2 4.01Å; C700-F704 WeakPolarHBondContact O-CD2 3.43Å; C700-F704 WeakPolarHBondContact O-CG 3.48Å; C700-F704 PolarHBondContact O-N 3.31Å; S701-F704 PolarHBondContact O-N 3.22Å; F704-S706 VanDerWaalsContact C-N 3.31Å; F704-S706 PolarHBondContact O-N 3.27Å; F704-L707 PolarHBondContact O-N 3.31Å; F704-M708 WeakPolarHBondContact O-CB 3.4Å; F704-M708 WeakPolarHBondContact O-CG 3.44Å; F704-M708 PolarHBondContact O-N 3.04Å; F704-I728 HydrophobicContact CE1-CG2 4.45Å; F704-S731 VanDerWaalsContact CZ-OG 3.26Å; F704-S731 WeakPolarHBondContact CZ-OG 3.32Å; F704-L735 HydrophobicContact CE2-CD2 4.46Å; F704-L737 HydrophobicContact CE1-CD2 3.84Å; F704-L737 HydrophobicContact CZ-CD2 4.22Å; F704-L741 HydrophobicContact CB-CD1 3.87Å; F704-L741 HydrophobicContact CD1-CD1 3.66Å; F704-L741 HydrophobicContact CD1-CD2 4.33Å; F704-L741 HydrophobicContact CG-CD1 4.04Å
705T83.1Confident74.7Confident61 Ų6150.6 Ų50.637%0.37427%0.272SS..Hα-helixtrans-60.6-42.7175.9-60.10000111.2S701 I703 M708 R709S701-T705 VanDerWaalsContact O-CB 3.26Å; S701-T705 WeakPolarHBondContact O-CB 3.46Å; S701-T705 PolarHBondContact O-N 3.45Å; S701-T705 PolarHBondContact O-OG1 2.99Å; I703-T705 PolarHBondContact O-N 3.19Å; T705-M708 PolarHBondContact O-N 3.45Å; T705-R709 WeakPolarHBondContact O-CG 3.33Å; T705-R709 PolarHBondContact O-N 2.88Å; T705-R709 VanDerWaalsContact O-N 3.11Å
706S82.5Confident73Confident5 Ų549.9 Ų49.94%0.03527%0.272CS..Hα-helixtrans-66.4-39.2178.1-630000112.5E642 R702 I703 F704 C710E642-S706 WeakPolarHBondContact CG-OG 3.28Å; R702-S706 VanDerWaalsContact O-CB 3.3Å; R702-S706 WeakPolarHBondContact O-CB 3.11Å; R702-S706 PolarHBondContact O-N 3.09Å; R702-S706 PolarHBondContact O-OG 3.16Å; I703-S706 PolarHBondContact O-N 3.38Å; F704-S706 VanDerWaalsContact C-N 3.31Å; F704-S706 PolarHBondContact O-N 3.27Å; S706-C710 PolarHBondContact O-N 3.13Å
707L77.8Confident71.2Confident4 Ų451 Ų512%0.02128%0.275CS..Hα-helixtrans-68.2-43.1175.3-73.4169.6000112.1F641 I703 F704 R709 C710 L711 I728F641-L707 HydrophobicContact CE1-CG 4.24Å; F641-L707 HydrophobicContact CZ-CD2 3.82Å; F641-L707 HydrophobicContact CZ-CG 3.91Å; I703-L707 HydrophobicContact CG2-CD1 3.81Å; I703-L707 HydrophobicContact CG2-CG 4.47Å; I703-L707 WeakPolarHBondContact O-CB 3.39Å; I703-L707 WeakPolarHBondContact O-CG 3.42Å; I703-L707 PolarHBondContact O-N 3.03Å; F704-L707 PolarHBondContact O-N 3.31Å; L707-R709 VanDerWaalsContact C-N 3.32Å; L707-R709 PolarHBondContact O-N 3.29Å; L707-C710 CarbonylContact O-C 3.5Å; L707-C710 WeakPolarHBondContact O-CA 2.99Å; L707-C710 WeakPolarHBondContact O-CB 3.35Å; L707-C710 PolarHBondContact O-N 2.95Å; L707-L711 WeakPolarHBondContact O-CG 3.22Å; L707-L711 PolarHBondContact O-N 3.26Å; L707-I728 HydrophobicContact CD1-CD1 3.94Å; L707-I728 HydrophobicContact CD1-CG1 3.44Å; L707-I728 VanDerWaalsContact CD1-CG1 3.44Å
708M70.4Confident69.6Low61 Ų6148.3 Ų48.330%0.326%0.255SS..Hα-helixtrans-58.4-44.4176.1-75.8-57.7-64.100111.7F704 T705 C710 L711 D712 L741F704-M708 WeakPolarHBondContact O-CB 3.4Å; F704-M708 WeakPolarHBondContact O-CG 3.44Å; F704-M708 PolarHBondContact O-N 3.04Å; T705-M708 PolarHBondContact O-N 3.45Å; M708-C710 PolarHBondContact O-N 3.01Å; M708-C710 VanDerWaalsContact O-N 3.08Å; M708-L711 PolarHBondContact O-N 3.48Å; M708-L711 HydrophobicContact SD-CD1 4.1Å; M708-D712 PolarHBondContact O-N 3.19Å; M708-L741 HydrophobicContact CG-CD1 3.74Å; M708-L741 HydrophobicContact CG-CG 4.27Å; M708-L741 HydrophobicContact SD-CD1 3.71Å; M708-L741 HydrophobicContact SD-CD2 4.37Å; M708-L741 HydrophobicContact SD-CG 3.56Å; M708-L741 VanDerWaalsContact SD-CG 3.56Å
709R68.9Low67.7Low158 Ų15850.1 Ų50.160%0.59627%0.265SS*.Hα-helixtrans-59.3-21.1173.7-71.6177.4-174.8168.33.1113.7T705 L707T705-R709 WeakPolarHBondContact O-CG 3.33Å; T705-R709 PolarHBondContact O-N 2.88Å; T705-R709 VanDerWaalsContact O-N 3.11Å; L707-R709 VanDerWaalsContact C-N 3.32Å; L707-R709 PolarHBondContact O-N 3.29Å
710C63.6Low66.3Low19 Ų1955.6 Ų55.613%0.12829%0.294CS..Hα-helixtrans-92.6-29.7174.3-720000113.2S706 L707 M708 D712 L713S706-C710 PolarHBondContact O-N 3.13Å; L707-C710 CarbonylContact O-C 3.5Å; L707-C710 WeakPolarHBondContact O-CA 2.99Å; L707-C710 WeakPolarHBondContact O-CB 3.35Å; L707-C710 PolarHBondContact O-N 2.95Å; M708-C710 PolarHBondContact O-N 3.01Å; M708-C710 VanDerWaalsContact O-N 3.08Å; C710-D712 VanDerWaalsContact C-N 3.35Å; C710-L713 WeakPolarHBondContact O-CB 3.38Å; C710-L713 PolarHBondContact O-N 2.85Å
711L55.8Low65.4Low47 Ų4755.8 Ų55.825%0.24630%0.295CS..Hα-helixtrans-73.8-25-177.2-76.6170.2000113.2L707 M708 L713 L718 L741L707-L711 WeakPolarHBondContact O-CG 3.22Å; L707-L711 PolarHBondContact O-N 3.26Å; M708-L711 PolarHBondContact O-N 3.48Å; M708-L711 HydrophobicContact SD-CD1 4.1Å; L711-L713 PolarHBondContact O-N 2.84Å; L711-L718 HydrophobicContact CD2-CD1 3.74Å; L711-L718 HydrophobicContact CD2-CD2 4.37Å; L711-L718 HydrophobicContact CD2-CG 3.94Å; L711-L741 HydrophobicContact CD1-CD2 4.08Å
712D50.4Low64.5Low135 Ų13554.3 Ų54.372%0.72229%0.285SS*.THydrogen-bonded Turntrans-57.8-4.1169.7-71.4-24.7000113.2M708 C710M708-D712 PolarHBondContact O-N 3.19Å; C710-D712 VanDerWaalsContact C-N 3.35Å
713L48.5Very low63.6Low74 Ų7453.6 Ų53.639%0.38728%0.282SS..THydrogen-bonded Turntrans-111.6-29.2-169.7-60.1166.1000116.1C710 L711C710-L713 WeakPolarHBondContact O-CB 3.38Å; C710-L713 PolarHBondContact O-N 2.85Å; L711-L713 PolarHBondContact O-N 2.84Å
714D50.5Low63.2Low84 Ų8454 Ų5445%0.44928%0.283SS..  trans172.8137.1164.7-135.9-24.6000111.8S716 H717D714-S716 VanDerWaalsContact C-N 3.33Å; D714-S716 PolarHBondContact O-N 2.89Å; D714-S716 PolarHBondContact OD2-OG 3.02Å; D714-H717 WeakPolarHBondContact CB-CD2 3.37Å; D714-H717 WeakPolarHBondContact CB-NE2 3.42Å; D714-H717 PolarHBondContact O-CD2 2.99Å
715T49.7Very low62.7Low81 Ų8154.8 Ų54.850%0.49729%0.289SS..G310 helixtrans-72.8-24.1177.152.20000113.3H717 L718T715-H717 PolarHBondContact O-N 3.4Å; T715-L718 PolarHBondContact O-N 3.18Å
716S49.5Very low62.2Low53 Ų5354.5 Ų54.537%0.37128%0.281SS..G310 helixtrans-56.8-15.3175.868.60000113.5D714D714-S716 VanDerWaalsContact C-N 3.33Å; D714-S716 PolarHBondContact O-N 2.89Å; D714-S716 PolarHBondContact OD2-OG 3.02Å
717H50.3Low62Low51 Ų5154.3 Ų54.324%0.23628%0.279CS..G310 helixtrans-89.3-25.6-174-62.5-32.7000115.6D714 T715 N719 N720 S721D714-H717 WeakPolarHBondContact CB-CD2 3.37Å; D714-H717 WeakPolarHBondContact CB-NE2 3.42Å; D714-H717 PolarHBondContact O-CD2 2.99Å; T715-H717 PolarHBondContact O-N 3.4Å; H717-N719 PolarHBondContact O-N 3.39Å; H717-N720 PolarHBondContact O-N 3.18Å; H717-N720 VanDerWaalsContact O-N 3.16Å; H717-S721 PolarHBondContact O-OG 2.94Å; H717-S721 VanDerWaalsContact O-OG 3.06Å
718L51.4Low62Low15 Ų1554.6 Ų54.68%0.07928%0.281CS..G310 helixtrans-62.6-34.9171.1-76.9174.5000110.5L711 T715 N720 S721 V725 I728 P743L711-L718 HydrophobicContact CD2-CD1 3.74Å; L711-L718 HydrophobicContact CD2-CD2 4.37Å; L711-L718 HydrophobicContact CD2-CG 3.94Å; T715-L718 PolarHBondContact O-N 3.18Å; L718-N720 PolarHBondContact O-N 3.12Å; L718-S721 PolarHBondContact O-N 3.13Å; L718-S721 VanDerWaalsContact O-N 3.17Å; L718-V725 HydrophobicContact CB-CG2 4.33Å; L718-V725 HydrophobicContact CD2-CG2 4.25Å; L718-I728 HydrophobicContact CD2-CD1 4.1Å; L718-P743 HydrophobicContact CD1-CB 4.35Å
719N49Very low62.3Low101 Ų10154.5 Ų54.554%0.5428%0.283SS..G310 helixtrans-62.2-25.4175.8-68.4-8.5000113.3H717H717-N719 PolarHBondContact O-N 3.39Å
720N58Low62.7Low116 Ų11648.4 Ų48.462%0.6226%0.262SS*.G310 helixtrans-97.14.3-180-70.1-17.8000113.9H717 L718H717-N720 PolarHBondContact O-N 3.18Å; H717-N720 VanDerWaalsContact O-N 3.16Å; L718-N720 PolarHBondContact O-N 3.12Å
721S68.4Low63.4Low3 Ų347.5 Ų47.52%0.02126%0.256CS..  trans-141.368.4-178.650.10000111.9H717 L718 W723 R724 V725H717-S721 PolarHBondContact O-OG 2.94Å; H717-S721 VanDerWaalsContact O-OG 3.06Å; L718-S721 PolarHBondContact O-N 3.13Å; L718-S721 VanDerWaalsContact O-N 3.17Å; S721-W723 PolarHBondContact O-N 3.42Å; S721-W723 VanDerWaalsContact O-N 3.08Å; S721-R724 PolarHBondContact O-N 3.43Å; S721-V725 PolarHBondContact O-N 3.2Å
722P68.5Low64.2Low28 Ų2846.9 Ų46.918%0.18226%0.256CS..Hα-helixtrans-54.9-31.4-177.320.1-32.1000113.5L316 R724 V725 R726L316-P722 HydrophobicContact CD1-CB 3.63Å; P722-R724 VanDerWaalsContact C-N 3.32Å; P722-R724 PolarHBondContact O-N 3.1Å; P722-V725 WeakPolarHBondContact O-CB 3.36Å; P722-V725 PolarHBondContact O-N 3.08Å; P722-R726 PolarHBondContact O-N 2.76Å
723W69.9Low65.4Low24 Ų2444.8 Ų44.89%0.09125%0.248CC..Hα-helixtrans-63-32.9175.856.284.5000113.7E308 L666 D669 R670 C673 S721 L727E308-W723 WeakPolarHBondContact OE2-CZ3 3.43Å; L666-W723 HydrophobicContact CD2-CZ2 4.15Å; D669-W723 PolarHBondContact OD2-NE1 2.68Å; R670-W723 HydrophobicContact CB-CD2 3.86Å; R670-W723 HydrophobicContact CB-CE3 4.26Å; R670-W723 HydrophobicContact CB-CG 4.19Å; R670-W723 HydrophobicContact CB-CZ2 4.17Å; R670-W723 HydrophobicContact CG-CB 4.35Å; R670-W723 HydrophobicContact CG-CD2 3.7Å; R670-W723 HydrophobicContact CG-CE3 3.79Å; R670-W723 HydrophobicContact CG-CG 3.96Å; R670-W723 HydrophobicContact CG-CZ3 4.35Å; C673-W723 HydrophobicContact CB-CB 4.13Å; C673-W723 HydrophobicContact CB-CG 4.22Å; S721-W723 PolarHBondContact O-N 3.42Å; S721-W723 VanDerWaalsContact O-N 3.08Å; W723-L727 PolarHBondContact O-N 3.03Å; W723-L727 VanDerWaalsContact O-N 3.1Å
724R77.6Confident66.4Low8 Ų843.2 Ų43.23%0.0324%0.243CC..Hα-helixtrans-72.5-39.3175.5-72.9-174.3173.9-148.9-7.3111.3D669 S721 P722 R726 L727 I728D669-R724 VanDerWaalsContact CG-NH2 3.31Å; D669-R724 IonicContact OD1-CZ 2.86Å; D669-R724 IonicContact OD1-NE 3.85Å; D669-R724 PolarHBondContact OD1-NE 3.2Å; D669-R724 IonicContact OD1-NH2 2.98Å; D669-R724 PolarHBondContact OD1-NH2 3.17Å; D669-R724 IonicContact OD2-CZ 2.83Å; D669-R724 IonicContact OD2-NE 3.97Å; D669-R724 PolarHBondContact OD2-NE 3.45Å; D669-R724 IonicContact OD2-NH2 3.7Å; D669-R724 PolarHBondContact OD2-NH2 3.45Å; S721-R724 PolarHBondContact O-N 3.43Å; P722-R724 VanDerWaalsContact C-N 3.32Å; P722-R724 PolarHBondContact O-N 3.1Å; R724-R726 VanDerWaalsContact C-N 3.34Å; R724-L727 WeakPolarHBondContact O-CB 3.32Å; R724-L727 PolarHBondContact O-N 2.92Å; R724-I728 WeakPolarHBondContact O-CG1 3.42Å; R724-I728 PolarHBondContact O-N 3.4Å
725V72.8Confident67.2Low22 Ų2241.6 Ų41.613%0.13323%0.234CC..Hα-helixtrans-59.5-47.9174.3176.70000109.9L718 S721 P722 L727 I728 V729 F747L718-V725 HydrophobicContact CB-CG2 4.33Å; L718-V725 HydrophobicContact CD2-CG2 4.25Å; S721-V725 PolarHBondContact O-N 3.2Å; P722-V725 WeakPolarHBondContact O-CB 3.36Å; P722-V725 PolarHBondContact O-N 3.08Å; V725-L727 VanDerWaalsContact C-N 3.27Å; V725-L727 PolarHBondContact O-N 2.97Å; V725-I728 WeakPolarHBondContact O-CB 3.49Å; V725-I728 PolarHBondContact O-N 2.88Å; V725-I728 VanDerWaalsContact O-N 3.13Å; V725-V729 WeakPolarHBondContact O-CG2 3.02Å; V725-V729 PolarHBondContact O-N 3.01Å; V725-F747 HydrophobicContact CB-CZ 4.24Å; V725-F747 HydrophobicContact CG1-CE1 4.31Å; V725-F747 HydrophobicContact CG1-CE2 3.82Å; V725-F747 HydrophobicContact CG1-CZ 3.41Å; V725-F747 VanDerWaalsContact CG1-CZ 3.41Å; V725-F747 HydrophobicContact CG2-CE2 4.35Å; V725-F747 HydrophobicContact CG2-CZ 3.83Å
726R71.9Confident67.8Low55 Ų5547.1 Ų47.121%0.20825%0.251CS..Hα-helixtrans-56.1-42.7174.8-178.9179.1175.5179.7-3.3112.1P722 R724 V729 L730P722-R726 PolarHBondContact O-N 2.76Å; R724-R726 VanDerWaalsContact C-N 3.34Å; R726-V729 PolarHBondContact O-N 3.01Å; R726-L730 HydrophobicContact CG-CD1 4.03Å; R726-L730 HydrophobicContact CG-CG 4.48Å; R726-L730 WeakPolarHBondContact O-CB 3.47Å; R726-L730 WeakPolarHBondContact O-CG 3.43Å; R726-L730 PolarHBondContact O-N 3Å
727L79Confident68.1Low1 Ų147.2 Ų47.21%0.00525%0.247CC..Hα-helixtrans-64.5-39.3177.5-176.563.4000112.3F641 L676 F680 I703 W723 R724 V725 L730 S731F641-L727 HydrophobicContact CD2-CD2 4.38Å; F641-L727 HydrophobicContact CE2-CD2 4Å; F641-L727 HydrophobicContact CZ-CD2 4.15Å; L676-L727 HydrophobicContact CB-CD1 3.61Å; L676-L727 HydrophobicContact CB-CD2 4.46Å; L676-L727 HydrophobicContact CD1-CD1 4.37Å; L676-L727 HydrophobicContact CD1-CD2 3.88Å; F680-L727 HydrophobicContact CD2-CD1 3.73Å; F680-L727 HydrophobicContact CE2-CD1 3.66Å; I703-L727 HydrophobicContact CD1-CD1 4.45Å; I703-L727 HydrophobicContact CG2-CD2 4.03Å; I703-L727 HydrophobicContact CG2-CG 4.25Å; W723-L727 PolarHBondContact O-N 3.03Å; W723-L727 VanDerWaalsContact O-N 3.1Å; R724-L727 WeakPolarHBondContact O-CB 3.32Å; R724-L727 PolarHBondContact O-N 2.92Å; V725-L727 VanDerWaalsContact C-N 3.27Å; V725-L727 PolarHBondContact O-N 2.97Å; L727-L730 PolarHBondContact O-N 3.06Å; L727-S731 WeakPolarHBondContact O-CB 2.99Å; L727-S731 PolarHBondContact O-N 3.19Å; L727-S731 PolarHBondContact O-OG 2.92Å
728I78.8Confident68.3Low11 Ų1147.5 Ų47.56%0.05625%0.254CS..Hα-helixtrans-60.4-48.3173.9-69.1165.5000110.3F704 L707 L718 R724 V725 L730 S731 S732 L737F704-I728 HydrophobicContact CE1-CG2 4.45Å; L707-I728 HydrophobicContact CD1-CD1 3.94Å; L707-I728 HydrophobicContact CD1-CG1 3.44Å; L707-I728 VanDerWaalsContact CD1-CG1 3.44Å; L718-I728 HydrophobicContact CD2-CD1 4.1Å; R724-I728 WeakPolarHBondContact O-CG1 3.42Å; R724-I728 PolarHBondContact O-N 3.4Å; V725-I728 WeakPolarHBondContact O-CB 3.49Å; V725-I728 PolarHBondContact O-N 2.88Å; V725-I728 VanDerWaalsContact O-N 3.13Å; I728-L730 PolarHBondContact O-N 2.77Å; I728-S731 WeakPolarHBondContact CA-OG 3.3Å; I728-S731 PolarHBondContact O-N 3.11Å; I728-S731 PolarHBondContact O-OG 3.36Å; I728-S732 WeakPolarHBondContact O-CB 3.41Å; I728-S732 PolarHBondContact O-N 3.06Å; I728-L737 HydrophobicContact CG2-CD2 4Å
729V75Confident68.3Low58 Ų5858 Ų5835%0.35229%0.292SS..Hα-helixtrans-60.5-48.9178.6174.60000110.5F320 V725 R726 S732F320-V729 HydrophobicContact CE1-CG1 4.2Å; F320-V729 HydrophobicContact CZ-CG1 4.33Å; V725-V729 WeakPolarHBondContact O-CG2 3.02Å; V725-V729 PolarHBondContact O-N 3.01Å; R726-V729 PolarHBondContact O-N 3.01Å; V729-S732 PolarHBondContact O-N 3.16Å; V729-S732 PolarHBondContact O-OG 3.36Å
730L77Confident68.4Low30 Ų3060.1 Ų60.116%0.15730%0.304CS..Hα-helixtrans-63.7-45.2-180-72.3172.8000112.4F680 R726 L727 I728 S732 T733F680-L730 HydrophobicContact CB-CB 3.99Å; F680-L730 HydrophobicContact CB-CD1 4.38Å; F680-L730 HydrophobicContact CD2-CB 4.46Å; F680-L730 HydrophobicContact CG-CB 4.24Å; R726-L730 HydrophobicContact CG-CD1 4.03Å; R726-L730 HydrophobicContact CG-CG 4.48Å; R726-L730 WeakPolarHBondContact O-CB 3.47Å; R726-L730 WeakPolarHBondContact O-CG 3.43Å; R726-L730 PolarHBondContact O-N 3Å; L727-L730 PolarHBondContact O-N 3.06Å; I728-L730 PolarHBondContact O-N 2.77Å; L730-S732 VanDerWaalsContact C-N 3.29Å; L730-S732 PolarHBondContact O-N 3.34Å; L730-T733 WeakPolarHBondContact O-CB 3.48Å; L730-T733 PolarHBondContact O-N 3.01Å; L730-T733 PolarHBondContact O-OG1 2.92Å
731S78.9Confident67.9Low0 Ų054.9 Ų54.90%028%0.276CS..Hα-helixtrans-65.6-31.2178.354.20000113F704 L727 I728 T733 C734 L735F704-S731 VanDerWaalsContact CZ-OG 3.26Å; F704-S731 WeakPolarHBondContact CZ-OG 3.32Å; L727-S731 WeakPolarHBondContact O-CB 2.99Å; L727-S731 PolarHBondContact O-N 3.19Å; L727-S731 PolarHBondContact O-OG 2.92Å; I728-S731 WeakPolarHBondContact CA-OG 3.3Å; I728-S731 PolarHBondContact O-N 3.11Å; I728-S731 PolarHBondContact O-OG 3.36Å; S731-T733 PolarHBondContact O-N 3.37Å; S731-C734 PolarHBondContact O-N 2.78Å; S731-C734 VanDerWaalsContact O-N 3.09Å; S731-L735 PolarHBondContact O-N 3.26Å
732S74.1Confident66.7Low35 Ų3558.5 Ų58.525%0.24530%0.297CS..Hα-helixtrans-64.8-22.3176.277.80000114I728 V729 L730 C734 L735I728-S732 WeakPolarHBondContact O-CB 3.41Å; I728-S732 PolarHBondContact O-N 3.06Å; V729-S732 PolarHBondContact O-N 3.16Å; V729-S732 PolarHBondContact O-OG 3.36Å; L730-S732 VanDerWaalsContact C-N 3.29Å; L730-S732 PolarHBondContact O-N 3.34Å; S732-C734 VanDerWaalsContact C-N 3.27Å; S732-C734 PolarHBondContact O-N 3.07Å; S732-L735 CarbonylContact C-O 3.59Å; S732-L735 WeakPolarHBondContact CA-O 3.32Å
733T74.2Confident65.5Low90 Ų9058.8 Ų58.855%0.55230%0.299SS*.THydrogen-bonded Turntrans-71.3-25.217567.70000112.2N684 L730 S731N684-T733 PolarHBondContact ND2-OG1 2.98Å; L730-T733 WeakPolarHBondContact O-CB 3.48Å; L730-T733 PolarHBondContact O-N 3.01Å; L730-T733 PolarHBondContact O-OG1 2.92Å; S731-T733 PolarHBondContact O-N 3.37Å
734C70.6Confident63.9Low41 Ų4161.7 Ų61.728%0.27732%0.322SS..THydrogen-bonded Turntrans-95.7-26.3-179.1-53.30000112.8N684 V696 S731 S732N684-C734 PolarHBondContact OD1-SG 3.5Å; V696-C734 HydrophobicContact CG2-CB 4.03Å; S731-C734 PolarHBondContact O-N 2.78Å; S731-C734 VanDerWaalsContact O-N 3.09Å; S732-C734 VanDerWaalsContact C-N 3.27Å; S732-C734 PolarHBondContact O-N 3.07Å
735L67.7Low61.9Low51 Ų5169.2 Ų69.227%0.26736%0.363SS..SBendtrans-143.6130.3-178.8-157.6126.2000109.3S697 C700 F704 S731 S732 L737S697-L735 VanDerWaalsContact OG-CD1 3.27Å; S697-L735 WeakPolarHBondContact OG-CD1 3.48Å; C700-L735 HydrophobicContact CB-CB 4Å; C700-L735 HydrophobicContact CB-CD1 4.33Å; F704-L735 HydrophobicContact CE2-CD2 4.46Å; S731-L735 PolarHBondContact O-N 3.26Å; S732-L735 CarbonylContact C-O 3.59Å; S732-L735 WeakPolarHBondContact CA-O 3.32Å; L735-L737 PolarHBondContact O-N 3.33Å; L735-L737 VanDerWaalsContact O-N 3.16Å
736K60.3Low60.2Low196 Ų19671.1 Ų71.185%0.85237%0.374SS*.PPolyproline II helixtrans-54.2125.1176.5-76.7-175.3178178.70109.2
737L57Low58.2Low56 Ų5676.8 Ų76.829%0.29340%0.401SS..PPolyproline II helixtrans-48134175.1-82.1145.2000109.7F704 I728 L735 R739 L741F704-L737 HydrophobicContact CE1-CD2 3.84Å; F704-L737 HydrophobicContact CZ-CD2 4.22Å; I728-L737 HydrophobicContact CG2-CD2 4Å; L735-L737 PolarHBondContact O-N 3.33Å; L735-L737 VanDerWaalsContact O-N 3.16Å; L737-R739 PolarHBondContact O-N 3.13Å; L737-L741 HydrophobicContact CD2-CB 4.05Å
738P54.2Low57.2Low56 Ų5680.6 Ų80.636%0.36442%0.421SS..PPolyproline II helixtrans-52.1136.2165.1-21.231.8000108.4N740 L741P738-N740 PolarHBondContact O-N 3Å; P738-L741 HydrophobicContact CB-CB 4.33Å; P738-L741 HydrophobicContact CB-CD1 4.34Å; P738-L741 HydrophobicContact CG-CB 4.45Å; P738-L741 HydrophobicContact CG-CD1 3.81Å; P738-L741 WeakPolarHBondContact O-CB 3.43Å; P738-L741 PolarHBondContact O-N 3.25Å
739R50.9Low56Low237 Ų23784.3 Ų84.389%0.89444%0.44SS*.G310 helixtrans-52.7-23.7-176.9-74.1-177.6177.7174.8-1.2113.5L737L737-R739 PolarHBondContact O-N 3.13Å
740N51.5Low55Low145 Ų14585.7 Ų85.778%0.77545%0.445SS*.G310 helixtrans-86.6-3.4-178.8-56-3.4000113.9P738P738-N740 PolarHBondContact O-N 3Å
741L47.3Very low53.7Low6 Ų689 Ų893%0.03146%0.462CS..G310 helixtrans-108.43.8-172.9-121.8153.9000113F704 M708 L711 L737 P738 P743F704-L741 HydrophobicContact CB-CD1 3.87Å; F704-L741 HydrophobicContact CD1-CD1 3.66Å; F704-L741 HydrophobicContact CD1-CD2 4.33Å; F704-L741 HydrophobicContact CG-CD1 4.04Å; M708-L741 HydrophobicContact CG-CD1 3.74Å; M708-L741 HydrophobicContact CG-CG 4.27Å; M708-L741 HydrophobicContact SD-CD1 3.71Å; M708-L741 HydrophobicContact SD-CD2 4.37Å; M708-L741 HydrophobicContact SD-CG 3.56Å; M708-L741 VanDerWaalsContact SD-CG 3.56Å; L711-L741 HydrophobicContact CD1-CD2 4.08Å; L737-L741 HydrophobicContact CD2-CB 4.05Å; P738-L741 HydrophobicContact CB-CB 4.33Å; P738-L741 HydrophobicContact CB-CD1 4.34Å; P738-L741 HydrophobicContact CG-CB 4.45Å; P738-L741 HydrophobicContact CG-CD1 3.81Å; P738-L741 WeakPolarHBondContact O-CB 3.43Å; P738-L741 PolarHBondContact O-N 3.25Å; L741-P743 WeakPolarHBondContact O-CD 3.25Å; L741-P743 WeakPolarHBondContact O-CG 3.47Å; L741-P743 VanDerWaalsContact O-N 3.16Å
742V42.6Very low52.1Low79 Ų7994.6 Ų94.648%0.47949%0.491SS..  trans-72.199.8176.2-176.60000107.7C744V742-C744 HydrophobicContact CG1-CB 3.7Å; V742-C744 WeakPolarHBondContact CG1-SG 3.41Å; V742-C744 PolarHBondContact O-N 3.23Å
743P43.8Very low50.6Low34 Ų3498.5 Ų98.522%0.22151%0.507CS..  trans-92.748.6175.326.2-2.5000106.6L718 L741 D745L718-P743 HydrophobicContact CD1-CB 4.35Å; L741-P743 WeakPolarHBondContact O-CD 3.25Å; L741-P743 WeakPolarHBondContact O-CG 3.47Å; L741-P743 VanDerWaalsContact O-N 3.16Å; P743-D745 VanDerWaalsContact C-N 3.27Å
744C36.3Very low48.9Very low85 Ų8599.1 Ų99.157%0.57450%0.504SS*.THydrogen-bonded Turntrans-78.5-16.9175.6-72.40000111.4V742 V746V742-C744 HydrophobicContact CG1-CB 3.7Å; V742-C744 WeakPolarHBondContact CG1-SG 3.41Å; V742-C744 PolarHBondContact O-N 3.23Å; C744-V746 VanDerWaalsContact C-N 3.26Å; C744-V746 PolarHBondContact O-N 3.29Å
745D36.2Very low47.3Very low166 Ų166103.6 Ų103.689%0.88852%0.521SS*.THydrogen-bonded Turntrans-83.7-1.5176.5-64.5-17.7000112.6P743P743-D745 VanDerWaalsContact C-N 3.27Å
746V37.3Very low45.6Very low61 Ų61108 Ų10837%0.3754%0.542SS..THydrogen-bonded Turntrans-112.9-16.1-180-175.60000113.1C744C744-V746 VanDerWaalsContact C-N 3.26Å; C744-V746 PolarHBondContact O-N 3.29Å
747F29.5Very low44.2Very low175 Ų175100 Ų10077%0.76851%0.514SS*.  trans-990169.3-80.3-79.2000110.1V725V725-F747 HydrophobicContact CB-CZ 4.24Å; V725-F747 HydrophobicContact CG1-CE1 4.31Å; V725-F747 HydrophobicContact CG1-CE2 3.82Å; V725-F747 HydrophobicContact CG1-CZ 3.41Å; V725-F747 VanDerWaalsContact CG1-CZ 3.41Å; V725-F747 HydrophobicContact CG2-CE2 4.35Å; V725-F747 HydrophobicContact CG2-CZ 3.83Å

Retrieved 747 of 747 residues in 743.3 ms (Link to these results)

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