A0A087XUQ2_POEFO Loading...

Thimet oligopeptidase

Involved in the metabolism of neuropeptides under 20 amino acid residues long. Involved in cytoplasmic peptide degradation. Able to degrade the amyloid-beta precursor protein and generate amyloidogenic fragments. Also acts as a regulator of cannabinoid signaling pathway by mediating degradation of hemopressin, an antagonist peptide of the cannabinoid receptor CNR1.

AlphaFold DB , UniProt , Accession A0A087XUQ2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 685 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
1M32.9Very low29.2Very low254 Ų254127.2 Ų127.2100%1.25180%0.803SS**  097.60-70.2-169.7-132.200108.4
2G25.1Very low31.9Very low59 Ų59126 Ų12661%0.60880%0.798SS**  trans-133.6143.6164.300000105.6T4G2-T4 PolarHBondContact O-N 3Å
3P30.2Very low34.9Very low135 Ų135119 Ų11988%0.87776%0.759SS**  trans-69.6111.6-169.129.4-32.1000108.7G5P3-G5 PolarHBondContact O-N 2.69Å
4T29.1Very low38.2Very low131 Ų131116.1 Ų116.180%0.80475%0.751SS**  trans-62.6104.4162.745.10000106.4G2 E6G2-T4 PolarHBondContact O-N 3Å; T4-E6 PolarHBondContact O-N 2.67Å
5G24.7Very low41.2Very low68 Ų68111.8 Ų111.870%0.70172%0.722SS**  trans-56.2111.1172.600000108.8P3 V7P3-G5 PolarHBondContact O-N 2.69Å; G5-V7 PolarHBondContact O-N 3.31Å
6E25.6Very low44.1Very low188 Ų188106.6 Ų106.688%0.87969%0.689SS**  trans-59.3108.6163.8-78.6-179.4150.400107.3T4 A8T4-E6 PolarHBondContact O-N 2.67Å; E6-A8 PolarHBondContact O-N 3.17Å
7V25Very low46.5Very low112 Ų112103.6 Ų103.668%0.67968%0.675SS**  trans-72.591.2162.1-177.70000105.6G5 F9G5-V7 PolarHBondContact O-N 3.31Å; V7-F9 HydrophobicContact CB-CE2 4.37Å; V7-F9 HydrophobicContact CG1-CD2 4.13Å; V7-F9 HydrophobicContact CG1-CE2 3.8Å; V7-F9 HydrophobicContact CG1-CZ 4.02Å; V7-F9 PolarHBondContact O-N 3.48Å
8A22.6Very low48.9Very low91 Ų91103.7 Ų103.775%0.75267%0.665SS**  trans-66.497167.600000107.9E6 G10E6-A8 PolarHBondContact O-N 3.17Å; A8-G10 PolarHBondContact O-N 2.99Å
9F34Very low51.3Low176 Ų176100.4 Ų100.477%0.77264%0.641SS**  trans-63.6131.7162.4-72.8-83.9000107.7V7V7-F9 HydrophobicContact CB-CE2 4.37Å; V7-F9 HydrophobicContact CG1-CD2 4.13Å; V7-F9 HydrophobicContact CG1-CE2 3.8Å; V7-F9 HydrophobicContact CG1-CZ 4.02Å; V7-F9 PolarHBondContact O-N 3.48Å
10G35.2Very low53.5Low67 Ų6798 Ų9869%0.69162%0.619SS**  trans-52.7158.7-17100000113.6A8A8-G10 PolarHBondContact O-N 2.99Å
11S36.9Very low55.6Low118 Ų11894 Ų9483%0.82559%0.593SS**  trans-39.9126.9177.3-173.70000111.2A13S11-A13 PolarHBondContact O-N 3.19Å; S11-A13 VanDerWaalsContact O-N 3.1Å
12P61.5Low58.6Low113 Ų11387.5 Ų87.573%0.73456%0.555SS**PPolyproline II helixtrans-59.6120.6-175.822.1-31.2000109.3A14P12-A14 PolarHBondContact O-N 3Å
13A70.6Confident62.1Low35 Ų3586.2 Ų86.229%0.28953%0.532SS..PPolyproline II helixtrans-53137173.900000109.4S11 V15 L431 G435 R437S11-A13 PolarHBondContact O-N 3.19Å; S11-A13 VanDerWaalsContact O-N 3.1Å; A13-V15 PolarHBondContact O-N 2.95Å; A13-L431 HydrophobicContact CB-CD2 3.95Å; A13-G435 WeakPolarHBondContact CB-O 3.47Å; A13-R437 HydrophobicContact CB-CB 4.34Å
14A81.7Confident65.3Low79 Ų7984.2 Ų84.265%0.65351%0.513SS*.PPolyproline II helixtrans-58.1128.8177.900000109.7P12 C16 S436 R437P12-A14 PolarHBondContact O-N 3Å; A14-C16 PolarHBondContact O-N 3.42Å; A14-S436 WeakPolarHBondContact O-CA 3.4Å; A14-S436 WeakPolarHBondContact O-CB 3.36Å; A14-R437 PolarHBondContact O-N 2.82Å
15V83.2Confident68.6Low51 Ų5178.6 Ų78.631%0.30948%0.478SS..EExtended strand (participates in β ladder)trans-79.4120.3-179.3-179.60000109.4A13 A17A13-V15 PolarHBondContact O-N 2.95Å; V15-A17 PolarHBondContact O-N 3.12Å
16C86.9Confident72.1Confident29 Ų2977.5 Ų77.520%0.19646%0.46CS..EExtended strand (participates in β ladder)trans-78.799.7164.3-176.20000108.9A14 E18 R432 R437 M439A14-C16 PolarHBondContact O-N 3.42Å; C16-E18 PolarHBondContact O-N 2.99Å; C16-E18 VanDerWaalsContact O-N 3.13Å; C16-R432 PolarHBondContact SG-NH1 2.82Å; C16-R437 PolarHBondContact N-O 3.21Å; C16-M439 WeakPolarHBondContact O-CB 3.34Å; C16-M439 PolarHBondContact O-N 3.41Å
17A85.1Confident75.6Confident55 Ų5570.1 Ų70.146%0.45543%0.428SS..  trans-7714.2-178.300000114.2V15 N19 V403 M439V15-A17 PolarHBondContact O-N 3.12Å; A17-N19 PolarHBondContact O-N 3.2Å; A17-V403 HydrophobicContact CB-CB 4.29Å; A17-V403 HydrophobicContact CB-CG1 4.43Å; A17-V403 HydrophobicContact CB-CG2 4.11Å; A17-M439 WeakPolarHBondContact O-CE 3.45Å
18E90.7Very high79.1Confident106 Ų10668.8 Ų68.850%0.49542%0.415SS..  trans-73.8124.4179-172.3-177.2-174.100110.6C16 R20 Q427 R432C16-E18 PolarHBondContact O-N 2.99Å; C16-E18 VanDerWaalsContact O-N 3.13Å; E18-R20 HydrophobicContact CG-CG 4.11Å; E18-Q427 PolarHBondContact O-NE2 3.27Å; E18-Q427 VanDerWaalsContact O-NE2 3.09Å; E18-R432 IonicContact OE2-NH1 2.79Å
19N94.4Very high82.7Confident41 Ų4168.1 Ų68.122%0.21940%0.396CS..  trans-87.9111.7164-171.3-22.3000108.7A17 L21 Q406 M439A17-N19 PolarHBondContact O-N 3.2Å; N19-L21 VanDerWaalsContact C-N 3.31Å; N19-L21 VanDerWaalsContact OD1-CB 3.27Å; N19-L21 WeakPolarHBondContact OD1-CB 3.17Å; N19-L21 WeakPolarHBondContact OD1-CD1 3.46Å; N19-L21 VanDerWaalsContact OD1-CG 3.23Å; N19-L21 WeakPolarHBondContact OD1-CG 3.42Å; N19-L21 PolarHBondContact OD1-N 3.26Å; N19-L21 VanDerWaalsContact OD1-N 3.11Å; N19-Q406 PolarHBondContact ND2-OE1 2.73Å; N19-M439 HydrophobicContact CB-CE 3.87Å
20R95.1Very high85.7Confident52 Ų5259.8 Ų59.820%0.19636%0.359CS..  trans-87.4-0.6-173.1-57.7175.862.1-158-5.7113.3E18 E71 V74 Q427E18-R20 HydrophobicContact CG-CG 4.11Å; R20-E71 IonicContact CZ-OE1 3.67Å; R20-E71 IonicContact CZ-OE2 3.2Å; R20-E71 IonicContact NH1-OE2 3.48Å; R20-E71 PolarHBondContact NH1-OE2 3.31Å; R20-E71 IonicContact NH2-OE1 2.68Å; R20-E71 PolarHBondContact NH2-OE1 3.33Å; R20-E71 IonicContact NH2-OE2 3.12Å; R20-E71 PolarHBondContact NH2-OE2 2.92Å; R20-V74 HydrophobicContact CB-CG1 4.07Å; R20-Q427 VanDerWaalsContact N-OE1 3.1Å
21L97.2Very high88.7Confident14 Ų1461.8 Ų61.87%0.07335%0.346CS..  trans-79.4148.4-169.6-56.5170.4000112.6N19 W23 V74 M78 L426 V441N19-L21 VanDerWaalsContact C-N 3.31Å; N19-L21 VanDerWaalsContact OD1-CB 3.27Å; N19-L21 WeakPolarHBondContact OD1-CB 3.17Å; N19-L21 WeakPolarHBondContact OD1-CD1 3.46Å; N19-L21 VanDerWaalsContact OD1-CG 3.23Å; N19-L21 WeakPolarHBondContact OD1-CG 3.42Å; N19-L21 PolarHBondContact OD1-N 3.26Å; N19-L21 VanDerWaalsContact OD1-N 3.11Å; L21-W23 HydrophobicContact CB-CH2 4.22Å; L21-W23 HydrophobicContact CB-CZ2 3.73Å; L21-W23 HydrophobicContact CD1-CH2 4.09Å; L21-W23 HydrophobicContact CD1-CZ2 3.66Å; L21-W23 HydrophobicContact CD2-CH2 4.49Å; L21-W23 HydrophobicContact CG-CZ2 4.22Å; L21-V74 HydrophobicContact CD2-CG1 4.43Å; L21-M78 VanDerWaalsContact CA-SD 3.6Å; L21-M78 HydrophobicContact CB-CG 4.36Å; L21-M78 HydrophobicContact CD2-CG 3.64Å; L21-M78 HydrophobicContact CD2-SD 4.41Å; L21-L426 HydrophobicContact CD1-CB 3.58Å; L21-L426 HydrophobicContact CD1-CD1 4.09Å; L21-L426 HydrophobicContact CD1-CG 4.5Å; L21-L426 HydrophobicContact CD2-CB 4.49Å; L21-V441 HydrophobicContact CD1-CB 4.04Å; L21-V441 HydrophobicContact CD1-CG1 3.74Å; L21-V441 HydrophobicContact CD1-CG2 4.48Å
22R96.9Very high91.7Very high118 Ų11860.7 Ų60.745%0.44533%0.328SS..  trans-132.9125.9179.9-66.6-68-65-112.72.7110.3D24 L25 M78R22-D24 IonicContact CZ-OD1 3.81Å; R22-D24 IonicContact CZ-OD2 2.88Å; R22-D24 IonicContact NE-OD1 2.8Å; R22-D24 PolarHBondContact NE-OD1 3.02Å; R22-D24 IonicContact NE-OD2 2.65Å; R22-D24 IonicContact NH2-OD1 3.67Å; R22-D24 PolarHBondContact NH2-OD1 2.9Å; R22-D24 IonicContact NH2-OD2 2.77Å; R22-D24 PolarHBondContact NH2-OD2 3.2Å; R22-L25 HydrophobicContact CB-CD2 4.21Å; R22-L25 HydrophobicContact CB-CG 4.36Å; R22-M78 HydrophobicContact CB-SD 3.97Å; R22-M78 HydrophobicContact CG-SD 4.25Å; R22-M78 PolarHBondContact N-SD 3.37Å
23W97.6Very high93.4Very high32 Ų3259.4 Ų59.412%0.12131%0.309CS..SBendtrans-110.62.2-177.9-51.4122.7000114.1L21 F81 W386 Y408 L426L21-W23 HydrophobicContact CB-CH2 4.22Å; L21-W23 HydrophobicContact CB-CZ2 3.73Å; L21-W23 HydrophobicContact CD1-CH2 4.09Å; L21-W23 HydrophobicContact CD1-CZ2 3.66Å; L21-W23 HydrophobicContact CD2-CH2 4.49Å; L21-W23 HydrophobicContact CG-CZ2 4.22Å; W23-F81 HydrophobicContact CE3-CD1 4.3Å; W23-F81 AromaticContact CH2-CD1 3.73Å; W23-F81 HydrophobicContact CH2-CD1 3.73Å; W23-F81 HydrophobicContact CH2-CE1 4.3Å; W23-F81 HydrophobicContact CZ3-CB 4.3Å; W23-F81 AromaticContact CZ3-CD1 3.53Å; W23-F81 HydrophobicContact CZ3-CD1 3.53Å; W23-F81 HydrophobicContact CZ3-CE1 4.36Å; W23-F81 HydrophobicContact CZ3-CG 4.36Å; W23-W386 HydrophobicContact CB-CB 4.27Å; W23-W386 AromaticContact CD2-CE3 3.69Å; W23-W386 HydrophobicContact CD2-CE3 3.69Å; W23-W386 HydrophobicContact CD2-CZ3 4.15Å; W23-W386 AromaticContact CE2-CE3 3.7Å; W23-W386 AromaticContact CE2-CZ3 3.67Å; W23-W386 HydrophobicContact CE3-CE3 4.21Å; W23-W386 AromaticContact CG-CE3 3.89Å; W23-W386 HydrophobicContact CG-CE3 3.89Å; W23-W386 HydrophobicContact CH2-CZ3 4.42Å; W23-W386 HydrophobicContact CZ2-CE3 4.21Å; W23-W386 AromaticContact CZ2-CZ3 3.81Å; W23-W386 HydrophobicContact CZ2-CZ3 3.81Å; W23-W386 AromaticContact NE1-CE3 3.88Å; W23-W386 AromaticContact NE1-CZ3 3.87Å; W23-Y408 HydrophobicContact CZ2-CE2 4.23Å; W23-Y408 AromaticContact NE1-CE1 3.97Å; W23-Y408 AromaticContact NE1-CZ 3.46Å; W23-Y408 PolarHBondContact NE1-OH 3.47Å; W23-Y408 VanDerWaalsContact NE1-OH 3.09Å; W23-L426 HydrophobicContact CH2-CD1 3.77Å; W23-L426 HydrophobicContact CH2-CD2 4.16Å; W23-L426 HydrophobicContact CH2-CG 4.43Å; W23-L426 HydrophobicContact CZ2-CD1 3.72Å
24D97.1Very high94.7Very high92 Ų9257.8 Ų57.849%0.49230%0.295SS..  trans-100.920.1-177.164.1-32.1000113.1R22R22-D24 IonicContact CZ-OD1 3.81Å; R22-D24 IonicContact CZ-OD2 2.88Å; R22-D24 IonicContact NE-OD1 2.8Å; R22-D24 PolarHBondContact NE-OD1 3.02Å; R22-D24 IonicContact NE-OD2 2.65Å; R22-D24 IonicContact NH2-OD1 3.67Å; R22-D24 PolarHBondContact NH2-OD1 2.9Å; R22-D24 IonicContact NH2-OD2 2.77Å; R22-D24 PolarHBondContact NH2-OD2 3.2Å
25L98.1Very high95.5Very high13 Ų1357.5 Ų57.57%0.06828%0.282CS..  trans-74.3127.6-177.2-58.2-177.9000111.6R22 Q29 I30 M78 L79R22-L25 HydrophobicContact CB-CD2 4.21Å; R22-L25 HydrophobicContact CB-CG 4.36Å; L25-Q29 HydrophobicContact CB-CB 4.49Å; L25-Q29 HydrophobicContact CD2-CB 4.45Å; L25-I30 HydrophobicContact CB-CD1 4.47Å; L25-I30 HydrophobicContact CB-CG1 3.91Å; L25-I30 HydrophobicContact CD1-CG1 4.39Å; L25-M78 HydrophobicContact CD1-CB 4.48Å; L25-L79 HydrophobicContact CD1-CD2 4.26Å
26S98.5Very high96.3Very high45 Ų4558.2 Ų58.232%0.31529%0.285SS..  trans-73.6160.5170.3800000111.6E28 Q29 I30S26-E28 PolarHBondContact O-N 2.7Å; S26-E28 VanDerWaalsContact O-N 3.16Å; S26-Q29 PolarHBondContact O-N 3.16Å; S26-Q29 WeakPolarHBondContact OG-CG 3.33Å; S26-Q29 PolarHBondContact OG-N 3.16Å; S26-Q29 PolarHBondContact OG-OE1 2.94Å; S26-I30 PolarHBondContact O-N 2.9Å
27P98.5Very high96.8Very high33 Ų3357.4 Ų57.421%0.21428%0.278CS..Hα-helixtrans-53.3-36.6175-28.436.4000113.6R31 D90 V91 A94P27-R31 PolarHBondContact O-N 3.4Å; P27-D90 HydrophobicContact CG-CB 4.03Å; P27-V91 HydrophobicContact CG-CG2 3.96Å; P27-A94 HydrophobicContact CB-CB 3.84Å
28E98.4Very high97.5Very high84 Ų8456.5 Ų56.539%0.39327%0.265SS..Hα-helixtrans-71.3-40.4177.8-17756.8-156.200112.1S26 I30 R31 Q32S26-E28 PolarHBondContact O-N 2.7Å; S26-E28 VanDerWaalsContact O-N 3.16Å; E28-I30 VanDerWaalsContact C-N 3.32Å; E28-I30 PolarHBondContact O-N 2.97Å; E28-R31 PolarHBondContact O-N 3.29Å; E28-R31 IonicContact OE2-CZ 2.69Å; E28-R31 VanDerWaalsContact OE2-CZ 3.27Å; E28-R31 IonicContact OE2-NE 3.24Å; E28-R31 PolarHBondContact OE2-NE 3.23Å; E28-R31 IonicContact OE2-NH2 3.09Å; E28-R31 PolarHBondContact OE2-NH2 2.87Å; E28-Q32 WeakPolarHBondContact O-CG 3.32Å; E28-Q32 PolarHBondContact O-N 2.95Å; E28-Q32 PolarHBondContact OE1-NE2 3.16Å
29Q98.6Very high97.8Very high78 Ų7857.9 Ų57.936%0.36427%0.266SS..Hα-helixtrans-64.8-37.3175.3-72.2170.9-38.300111.9L25 S26 R33L25-Q29 HydrophobicContact CB-CB 4.49Å; L25-Q29 HydrophobicContact CD2-CB 4.45Å; S26-Q29 PolarHBondContact O-N 3.16Å; S26-Q29 WeakPolarHBondContact OG-CG 3.33Å; S26-Q29 PolarHBondContact OG-N 3.16Å; S26-Q29 PolarHBondContact OG-OE1 2.94Å; Q29-R33 WeakPolarHBondContact O-CB 3.44Å; Q29-R33 WeakPolarHBondContact O-CG 3.43Å; Q29-R33 PolarHBondContact O-N 2.95Å
30I98.6Very high98Very high0 Ų060 Ų600%028%0.277CS..Hα-helixtrans-59.9-48.3174.4-69.6171.9000110.2L25 S26 E28 S34 L79 V91 A94 A98L25-I30 HydrophobicContact CB-CD1 4.47Å; L25-I30 HydrophobicContact CB-CG1 3.91Å; L25-I30 HydrophobicContact CD1-CG1 4.39Å; S26-I30 PolarHBondContact O-N 2.9Å; E28-I30 VanDerWaalsContact C-N 3.32Å; E28-I30 PolarHBondContact O-N 2.97Å; I30-S34 WeakPolarHBondContact O-CB 3.45Å; I30-S34 PolarHBondContact O-N 3.13Å; I30-S34 PolarHBondContact O-OG 3.01Å; I30-L79 HydrophobicContact CB-CD2 4.38Å; I30-L79 HydrophobicContact CG1-CD2 4.44Å; I30-L79 HydrophobicContact CG2-CD2 4.18Å; I30-V91 HydrophobicContact CD1-CG1 3.92Å; I30-A94 HydrophobicContact CB-CB 4.4Å; I30-A94 HydrophobicContact CD1-CB 4.46Å; I30-A94 HydrophobicContact CG2-CB 4.28Å; I30-A98 HydrophobicContact CG2-CB 3.74Å
31R98.1Very high98.2Very high109 Ų10957.8 Ų57.841%0.41127%0.27SS..Hα-helixtrans-59-53.3177.2-72.9-174.2-70.4-95.86112.1P27 E28 R33 S34 D35P27-R31 PolarHBondContact O-N 3.4Å; E28-R31 PolarHBondContact O-N 3.29Å; E28-R31 IonicContact OE2-CZ 2.69Å; E28-R31 VanDerWaalsContact OE2-CZ 3.27Å; E28-R31 IonicContact OE2-NE 3.24Å; E28-R31 PolarHBondContact OE2-NE 3.23Å; E28-R31 IonicContact OE2-NH2 3.09Å; E28-R31 PolarHBondContact OE2-NH2 2.87Å; R31-R33 PolarHBondContact O-N 3.43Å; R31-S34 WeakPolarHBondContact O-CB 3.14Å; R31-S34 PolarHBondContact O-N 3.14Å; R31-D35 PolarHBondContact O-N 3.36Å
32Q98.3Very high98.3Very high95 Ų9559.9 Ų59.944%0.44428%0.278SS..Hα-helixtrans-61.8-41.1-178.2-69.7175.62.400112.5E28 D35 N36E28-Q32 WeakPolarHBondContact O-CG 3.32Å; E28-Q32 PolarHBondContact O-N 2.95Å; E28-Q32 PolarHBondContact OE1-NE2 3.16Å; Q32-D35 PolarHBondContact O-N 3.42Å; Q32-N36 VanDerWaalsContact O-CG 3.25Å; Q32-N36 PolarHBondContact O-N 3.22Å; Q32-N36 PolarHBondContact O-ND2 3.46Å; Q32-N36 VanDerWaalsContact O-ND2 3.16Å
33R98.5Very high98.3Very high87 Ų8759.4 Ų59.433%0.32828%0.281SS..Hα-helixtrans-67.3-36.8176.8-75.1175.4177.4-96.50.8112Q29 R31 N36 L37 L79Q29-R33 WeakPolarHBondContact O-CB 3.44Å; Q29-R33 WeakPolarHBondContact O-CG 3.43Å; Q29-R33 PolarHBondContact O-N 2.95Å; R31-R33 PolarHBondContact O-N 3.43Å; R33-N36 PolarHBondContact O-N 2.97Å; R33-L37 VanDerWaalsContact O-CB 3.22Å; R33-L37 WeakPolarHBondContact O-CB 3.26Å; R33-L37 PolarHBondContact O-N 3.28Å; R33-L79 HydrophobicContact CB-CD1 4.34Å; R33-L79 HydrophobicContact CB-CD2 3.71Å
34S98.3Very high98.4Very high0 Ų059.9 Ų59.90%029%0.287CS..Hα-helixtrans-61.6-45.3174.2-54.80000111.3I30 R31 N36 L37 I38 A98I30-S34 WeakPolarHBondContact O-CB 3.45Å; I30-S34 PolarHBondContact O-N 3.13Å; I30-S34 PolarHBondContact O-OG 3.01Å; R31-S34 WeakPolarHBondContact O-CB 3.14Å; R31-S34 PolarHBondContact O-N 3.14Å; S34-N36 PolarHBondContact O-N 3.38Å; S34-L37 PolarHBondContact O-N 3.43Å; S34-I38 WeakPolarHBondContact O-CG1 3.5Å; S34-I38 PolarHBondContact O-N 3.05Å; S34-A98 VanDerWaalsContact OG-CB 3.24Å; S34-A98 WeakPolarHBondContact OG-CB 3.22Å
35D98.3Very high98.5Very high73 Ų7357.9 Ų57.939%0.3927%0.273SS..Hα-helixtrans-60.9-45.9177.2-65.8-18.1000111.9R31 Q32 R39 R101R31-D35 PolarHBondContact O-N 3.36Å; Q32-D35 PolarHBondContact O-N 3.42Å; D35-R39 WeakPolarHBondContact O-CB 3.3Å; D35-R39 PolarHBondContact O-N 2.74Å; D35-R101 IonicContact OD1-CZ 2.7Å; D35-R101 IonicContact OD1-NH1 3.31Å; D35-R101 PolarHBondContact OD1-NH1 3.5Å; D35-R101 IonicContact OD1-NH2 3.36Å; D35-R101 PolarHBondContact OD1-NH2 2.74Å
36N98.4Very high98.5Very high67 Ų6758.8 Ų58.836%0.35828%0.278SS..Hα-helixtrans-63.8-41.8177.7-71.1-30.1000111.9Q32 R33 S34 R39 N40Q32-N36 VanDerWaalsContact O-CG 3.25Å; Q32-N36 PolarHBondContact O-N 3.22Å; Q32-N36 PolarHBondContact O-ND2 3.46Å; Q32-N36 VanDerWaalsContact O-ND2 3.16Å; R33-N36 PolarHBondContact O-N 2.97Å; S34-N36 PolarHBondContact O-N 3.38Å; N36-R39 PolarHBondContact O-N 2.67Å; N36-R39 PolarHBondContact OD1-NH2 3.19Å; N36-N40 WeakPolarHBondContact O-CB 3.31Å; N36-N40 PolarHBondContact O-N 2.97Å; N36-N40 PolarHBondContact O-OD1 3.3Å
37L98.6Very high98.5Very high12 Ų1260.3 Ų60.36%0.06329%0.289CS..Hα-helixtrans-62.5-47.5179.6-176.958.8000111.4R33 S34 T41 Y72 Q75 R76 L79 L102R33-L37 VanDerWaalsContact O-CB 3.22Å; R33-L37 WeakPolarHBondContact O-CB 3.26Å; R33-L37 PolarHBondContact O-N 3.28Å; S34-L37 PolarHBondContact O-N 3.43Å; L37-T41 WeakPolarHBondContact O-CB 3.28Å; L37-T41 PolarHBondContact O-N 2.83Å; L37-T41 PolarHBondContact O-OG1 2.9Å; L37-Y72 HydrophobicContact CD1-CD2 3.79Å; L37-Y72 HydrophobicContact CD1-CE2 4.45Å; L37-Y72 HydrophobicContact CD2-CD2 3.9Å; L37-Y72 HydrophobicContact CD2-CE2 3.84Å; L37-Y72 HydrophobicContact CG-CD2 3.73Å; L37-Y72 HydrophobicContact CG-CE2 3.89Å; L37-Q75 HydrophobicContact CD1-CB 3.65Å; L37-Q75 HydrophobicContact CD1-CG 4.09Å; L37-Q75 HydrophobicContact CD2-CB 3.72Å; L37-Q75 HydrophobicContact CG-CB 4.27Å; L37-R76 HydrophobicContact CD2-CB 4.3Å; L37-L79 HydrophobicContact CD2-CD1 3.93Å; L37-L102 HydrophobicContact CD2-CD1 4.43Å; L37-L102 HydrophobicContact CD2-CD2 3.88Å; L37-L102 HydrophobicContact CG-CD2 4.35Å
38I98.6Very high98.5Very high35 Ų3558.9 Ų58.918%0.17928%0.28CS..Hα-helixtrans-58.2-50.7176.4-71.5166.4000110.2S34 K42 L102 F105S34-I38 WeakPolarHBondContact O-CG1 3.5Å; S34-I38 PolarHBondContact O-N 3.05Å; I38-K42 WeakPolarHBondContact O-CB 3.5Å; I38-K42 PolarHBondContact O-N 3.4Å; I38-L102 HydrophobicContact CD1-CD2 4.25Å; I38-L102 HydrophobicContact CG1-CD2 3.82Å; I38-F105 HydrophobicContact CB-CD2 4.5Å; I38-F105 HydrophobicContact CG1-CB 4.19Å; I38-F105 HydrophobicContact CG1-CD1 4.22Å; I38-F105 HydrophobicContact CG1-CD2 4.43Å; I38-F105 HydrophobicContact CG1-CG 4.02Å; I38-F105 HydrophobicContact CG2-CD2 3.78Å; I38-F105 HydrophobicContact CG2-CE2 3.99Å; I38-F105 HydrophobicContact CG2-CG 4.23Å
39R98.6Very high98.5Very high136 Ų13655.1 Ų55.151%0.51326%0.263SS..Hα-helixtrans-59.2-54.6-179.4176178.454.4168.3-7.4111.9D35 N36 T41 K42 E43D35-R39 WeakPolarHBondContact O-CB 3.3Å; D35-R39 PolarHBondContact O-N 2.74Å; N36-R39 PolarHBondContact O-N 2.67Å; N36-R39 PolarHBondContact OD1-NH2 3.19Å; R39-T41 VanDerWaalsContact C-N 3.34Å; R39-T41 PolarHBondContact O-N 3.47Å; R39-K42 PolarHBondContact O-N 3.39Å; R39-E43 WeakPolarHBondContact O-CG 3.39Å; R39-E43 PolarHBondContact O-N 3.25Å
40N98.3Very high98.5Very high84 Ų8460.3 Ų60.345%0.44928%0.279SS..Hα-helixtrans-65.3-40.2-174.4-64.2-1.7000111.4N36 E43N36-N40 WeakPolarHBondContact O-CB 3.31Å; N36-N40 PolarHBondContact O-N 2.97Å; N36-N40 PolarHBondContact O-OD1 3.3Å; N40-E43 PolarHBondContact O-N 3.38Å
41T98.7Very high98.5Very high6 Ų662.2 Ų62.24%0.03729%0.289CS..Hα-helixtrans-65.7-44.7177.1-54.20000110.4L37 R39 E43 V44 Y45 V68 Y72 F105L37-T41 WeakPolarHBondContact O-CB 3.28Å; L37-T41 PolarHBondContact O-N 2.83Å; L37-T41 PolarHBondContact O-OG1 2.9Å; R39-T41 VanDerWaalsContact C-N 3.34Å; R39-T41 PolarHBondContact O-N 3.47Å; T41-E43 VanDerWaalsContact C-N 3.29Å; T41-E43 PolarHBondContact O-N 2.98Å; T41-V44 PolarHBondContact O-N 3.46Å; T41-V44 VanDerWaalsContact O-N 3.14Å; T41-Y45 HydrophobicContact CG2-CD2 4.08Å; T41-Y45 HydrophobicContact CG2-CE2 3.89Å; T41-Y45 WeakPolarHBondContact O-CD2 3.41Å; T41-Y45 PolarHBondContact O-N 3.3Å; T41-V68 HydrophobicContact CG2-CG2 3.92Å; T41-Y72 HydrophobicContact CG2-CD2 4.05Å; T41-Y72 HydrophobicContact CG2-CG 4.37Å; T41-Y72 WeakPolarHBondContact OG1-CD2 3.05Å; T41-F105 HydrophobicContact CG2-CE1 3.65Å; T41-F105 HydrophobicContact CG2-CZ 3.79Å
42K98.6Very high98.5Very high59 Ų5963.7 Ų63.726%0.25730%0.301SS..Hα-helixtrans-59.7-39178.1-176.5165.8170.849.70112.5I38 R39 V44 Y45 D46 F105 E108 M109I38-K42 WeakPolarHBondContact O-CB 3.5Å; I38-K42 PolarHBondContact O-N 3.4Å; R39-K42 PolarHBondContact O-N 3.39Å; K42-V44 VanDerWaalsContact C-N 3.26Å; K42-V44 PolarHBondContact O-N 3.13Å; K42-Y45 PolarHBondContact O-N 3.46Å; K42-D46 IonicContact NZ-OD1 3.59Å; K42-D46 PolarHBondContact NZ-OD1 3.39Å; K42-D46 IonicContact NZ-OD2 2.66Å; K42-D46 WeakPolarHBondContact O-CB 3.33Å; K42-D46 VanDerWaalsContact O-CG 3.26Å; K42-D46 PolarHBondContact O-N 2.91Å; K42-F105 HydrophobicContact CB-CE2 3.93Å; K42-F105 HydrophobicContact CB-CZ 4.15Å; K42-E108 IonicContact NZ-OE1 3.57Å; K42-M109 HydrophobicContact CG-CE 4.47Å
43E98.6Very high98.4Very high107 Ų10762.9 Ų62.950%0.530%0.299SS..Hα-helixtrans-58.2-36.8177.1-75.5171.6-173.700112.5R39 N40 T41 S47R39-E43 WeakPolarHBondContact O-CG 3.39Å; R39-E43 PolarHBondContact O-N 3.25Å; N40-E43 PolarHBondContact O-N 3.38Å; T41-E43 VanDerWaalsContact C-N 3.29Å; T41-E43 PolarHBondContact O-N 2.98Å; E43-S47 WeakPolarHBondContact O-CB 3.38Å; E43-S47 PolarHBondContact O-N 3.11Å; E43-S47 PolarHBondContact O-OG 3.17Å
44V98.6Very high98.3Very high42 Ų4266 Ų6626%0.25532%0.322SS..Hα-helixtrans-67.6-48.5174.7-1790000111T41 K42 D46 S47 V48 V68T41-V44 PolarHBondContact O-N 3.46Å; T41-V44 VanDerWaalsContact O-N 3.14Å; K42-V44 VanDerWaalsContact C-N 3.26Å; K42-V44 PolarHBondContact O-N 3.13Å; V44-D46 VanDerWaalsContact C-N 3.32Å; V44-D46 PolarHBondContact O-N 2.8Å; V44-S47 WeakPolarHBondContact O-CB 3.43Å; V44-S47 PolarHBondContact O-N 2.95Å; V44-S47 VanDerWaalsContact O-N 3.11Å; V44-V48 WeakPolarHBondContact O-CG2 3.31Å; V44-V48 PolarHBondContact O-N 2.95Å; V44-V68 HydrophobicContact CB-CB 4.21Å; V44-V68 HydrophobicContact CB-CG1 4.33Å; V44-V68 HydrophobicContact CB-CG2 4.04Å; V44-V68 HydrophobicContact CG1-CB 3.97Å; V44-V68 HydrophobicContact CG1-CG1 3.91Å; V44-V68 HydrophobicContact CG1-CG2 4.36Å; V44-V68 HydrophobicContact CG2-CB 4.2Å; V44-V68 HydrophobicContact CG2-CG2 3.84Å
45Y98.8Very high98.2Very high51 Ų5168.3 Ų68.320%0.234%0.341CS..Hα-helixtrans-61.9-38.9177.1-82.1-101.4000112.2T41 K42 S47 G49 L65 V68 M109 R112 V115T41-Y45 HydrophobicContact CG2-CD2 4.08Å; T41-Y45 HydrophobicContact CG2-CE2 3.89Å; T41-Y45 WeakPolarHBondContact O-CD2 3.41Å; T41-Y45 PolarHBondContact O-N 3.3Å; K42-Y45 PolarHBondContact O-N 3.46Å; Y45-S47 VanDerWaalsContact C-N 3.33Å; Y45-G49 PolarHBondContact O-N 3.17Å; Y45-L65 HydrophobicContact CD1-CD2 4.1Å; Y45-L65 HydrophobicContact CE1-CD2 3.88Å; Y45-L65 HydrophobicContact CE2-CD2 4.42Å; Y45-L65 HydrophobicContact CG-CD2 4.45Å; Y45-V68 HydrophobicContact CE2-CG1 4.05Å; Y45-M109 HydrophobicContact CD1-CB 4.14Å; Y45-M109 HydrophobicContact CD1-CG 4.42Å; Y45-M109 HydrophobicContact CD1-SD 4.02Å; Y45-M109 HydrophobicContact CD2-CG 4.32Å; Y45-M109 HydrophobicContact CD2-SD 3.99Å; Y45-M109 HydrophobicContact CE1-CB 3.89Å; Y45-M109 HydrophobicContact CE1-CG 4.49Å; Y45-M109 HydrophobicContact CE2-CB 4.47Å; Y45-M109 HydrophobicContact CE2-CG 4.37Å; Y45-M109 HydrophobicContact CG-CG 4.35Å; Y45-M109 HydrophobicContact CG-SD 3.66Å; Y45-R112 PolarHBondContact O-NH2 2.7Å; Y45-R112 VanDerWaalsContact O-NH2 3.16Å; Y45-V115 HydrophobicContact CD1-CG1 4.25Å; Y45-V115 HydrophobicContact CD1-CG2 4.13Å; Y45-V115 WeakPolarHBondContact O-CG2 3.43Å
46D98.7Very high98.2Very high32 Ų3265 Ų6517%0.17132%0.324CS..Hα-helixtrans-64-38.3173.9-72.54.7000111.4K42 V44 R50 R112K42-D46 IonicContact NZ-OD1 3.59Å; K42-D46 PolarHBondContact NZ-OD1 3.39Å; K42-D46 IonicContact NZ-OD2 2.66Å; K42-D46 WeakPolarHBondContact O-CB 3.33Å; K42-D46 VanDerWaalsContact O-CG 3.26Å; K42-D46 PolarHBondContact O-N 2.91Å; V44-D46 VanDerWaalsContact C-N 3.32Å; V44-D46 PolarHBondContact O-N 2.8Å; D46-R50 WeakPolarHBondContact O-CB 3.27Å; D46-R50 WeakPolarHBondContact O-CG 3.41Å; D46-R50 PolarHBondContact O-N 2.92Å; D46-R50 VanDerWaalsContact O-N 3.13Å; D46-R112 IonicContact OD1-CZ 2.95Å; D46-R112 IonicContact OD1-NH1 3.23Å; D46-R112 PolarHBondContact OD1-NH1 3.28Å; D46-R112 IonicContact OD1-NH2 3.62Å; D46-R112 PolarHBondContact OD1-NH2 3.45Å
47S98.6Very high98.2Very high77 Ų7764.9 Ų64.954%0.53833%0.326SS..Hα-helixtrans-65.8-46.4176.4-60.20000111.8E43 V44 Y45 R50E43-S47 WeakPolarHBondContact O-CB 3.38Å; E43-S47 PolarHBondContact O-N 3.11Å; E43-S47 PolarHBondContact O-OG 3.17Å; V44-S47 WeakPolarHBondContact O-CB 3.43Å; V44-S47 PolarHBondContact O-N 2.95Å; V44-S47 VanDerWaalsContact O-N 3.11Å; Y45-S47 VanDerWaalsContact C-N 3.33Å; S47-R50 PolarHBondContact O-N 3.15Å
48V98.6Very high98.1Very high3 Ų367.1 Ų67.12%0.01834%0.337CS..Hα-helixtrans-64-44.1175.5176.40000111.1V44 R50 L51 T61 A64 L65 V115 R118V44-V48 WeakPolarHBondContact O-CG2 3.31Å; V44-V48 PolarHBondContact O-N 2.95Å; V48-R50 PolarHBondContact O-N 3.41Å; V48-L51 WeakPolarHBondContact O-CB 3.47Å; V48-L51 PolarHBondContact O-N 2.83Å; V48-T61 HydrophobicContact CG1-CG2 4.01Å; V48-A64 HydrophobicContact CG2-CB 4.08Å; V48-L65 HydrophobicContact CG1-CD1 4.49Å; V48-L65 HydrophobicContact CG2-CD2 4.31Å; V48-L65 HydrophobicContact CG2-CG 4.38Å; V48-V115 HydrophobicContact CG1-CG1 4.2Å; V48-R118 HydrophobicContact CG1-CB 4.46Å
49G98.4Very high98Very high4 Ų471.3 Ų71.34%0.04136%0.355CS..Hα-helixtrans-64.7-21.1-179.700000114.6Y45 R118Y45-G49 PolarHBondContact O-N 3.17Å; G49-R118 PolarHBondContact O-NE 2.94Å; G49-R118 PolarHBondContact O-NH1 2.87Å; G49-R118 VanDerWaalsContact O-NH1 3.17Å; G49-R118 PolarHBondContact O-NH2 3.39Å
50R98.3Very high98Very high187 Ų18767.3 Ų67.371%0.70634%0.344SS*.THydrogen-bonded Turntrans-91.1-9.1177.2-72.6174.6-164175.59.1114.4D46 S47 V48 E52D46-R50 WeakPolarHBondContact O-CB 3.27Å; D46-R50 WeakPolarHBondContact O-CG 3.41Å; D46-R50 PolarHBondContact O-N 2.92Å; D46-R50 VanDerWaalsContact O-N 3.13Å; S47-R50 PolarHBondContact O-N 3.15Å; V48-R50 PolarHBondContact O-N 3.41Å; R50-E52 PolarHBondContact O-N 3.43Å
51L98.5Very high98Very high40 Ų4063.3 Ų63.321%0.20932%0.323CS..SBendtrans-60.4139.2178.5-67.3172.7000110.6V48 V56 N60 R118V48-L51 WeakPolarHBondContact O-CB 3.47Å; V48-L51 PolarHBondContact O-N 2.83Å; L51-V56 HydrophobicContact CB-CG1 4.39Å; L51-N60 HydrophobicContact CD1-CB 4.2Å; L51-N60 WeakPolarHBondContact CD1-O 3.32Å; L51-R118 HydrophobicContact CB-CG 4.27Å; L51-R118 PolarHBondContact O-NE 2.95Å; L51-R118 PolarHBondContact O-NH2 3.48Å
52E98.1Very high98Very high141 Ų14163 Ų6366%0.65932%0.321SS*.  trans-62.8140.7166.5-65.5-56.1141.500109.7R50 D54 A55 V56R50-E52 PolarHBondContact O-N 3.43Å; E52-D54 PolarHBondContact O-N 2.93Å; E52-A55 HydrophobicContact CB-CB 4.11Å; E52-A55 WeakPolarHBondContact O-CA 3.5Å; E52-A55 WeakPolarHBondContact O-CB 3.11Å; E52-A55 PolarHBondContact O-N 3.41Å; E52-V56 PolarHBondContact O-N 3.05Å
53L97.4Very high97.9Very high77 Ų7763 Ų6340%0.40332%0.321SS..G310 helixtrans-58.8-35.5-176.4-62.5178.5000111.6A55 V56 L117 R118 A121 K125L53-A55 VanDerWaalsContact C-N 3.26Å; L53-A55 PolarHBondContact O-N 3.23Å; L53-V56 WeakPolarHBondContact O-CG2 3.36Å; L53-L117 HydrophobicContact CD2-CB 4.35Å; L53-R118 HydrophobicContact CD2-CG 4.27Å; L53-A121 HydrophobicContact CB-CB 4.33Å; L53-A121 HydrophobicContact CD2-CB 4.1Å; L53-K125 PolarHBondContact O-NZ 3.5Å
54D95.6Very high97.9Very high152 Ų15259 Ų5981%0.81331%0.307SS*.G310 helixtrans-76.7-9.2176.8-67.7-24.4000113.7E52 K125E52-D54 PolarHBondContact O-N 2.93Å; D54-K125 VanDerWaalsContact CA-NZ 3.29Å; D54-K125 PolarHBondContact O-NZ 3.29Å
55A96.9Very high97.9Very high49 Ų4957.3 Ų57.341%0.40530%0.296SS..G310 helixtrans-99.1-4.9176.100000114.3E52 L53 N60E52-A55 HydrophobicContact CB-CB 4.11Å; E52-A55 WeakPolarHBondContact O-CA 3.5Å; E52-A55 WeakPolarHBondContact O-CB 3.11Å; E52-A55 PolarHBondContact O-N 3.41Å; L53-A55 VanDerWaalsContact C-N 3.26Å; L53-A55 PolarHBondContact O-N 3.23Å; A55-N60 PolarHBondContact O-ND2 2.92Å
56V98.2Very high97.9Very high5 Ų555.3 Ų55.33%0.0329%0.29CS..  trans-65.6139.2178.5-51.50000111.8L51 E52 L53 R118 A121 L122 K125L51-V56 HydrophobicContact CB-CG1 4.39Å; E52-V56 PolarHBondContact O-N 3.05Å; L53-V56 WeakPolarHBondContact O-CG2 3.36Å; V56-R118 HydrophobicContact CG1-CB 3.83Å; V56-R118 HydrophobicContact CG1-CG 3.53Å; V56-A121 HydrophobicContact CG2-CB 4.09Å; V56-L122 HydrophobicContact CG2-CB 3.98Å; V56-L122 HydrophobicContact CG2-CD1 4.37Å; V56-K125 HydrophobicContact CG2-CD 3.85Å; V56-K125 PolarHBondContact O-NZ 3.43Å; V56-K125 VanDerWaalsContact O-NZ 3.12Å
57T97.4Very high97.9Very high64 Ų6455.8 Ų55.839%0.39329%0.292SS..  trans-141169178.665.60000109.9E59 N60 T61 L122T57-E59 VanDerWaalsContact C-N 3.25Å; T57-E59 PolarHBondContact O-N 3.42Å; T57-N60 PolarHBondContact N-OD1 3.09Å; T57-N60 PolarHBondContact O-OD1 3.2Å; T57-N60 PolarHBondContact OG1-N 2.63Å; T57-N60 PolarHBondContact OG1-ND2 2.93Å; T57-N60 PolarHBondContact OG1-OD1 3.24Å; T57-T61 VanDerWaalsContact O-CB 3.31Å; T57-T61 WeakPolarHBondContact O-CB 3.44Å; T57-T61 PolarHBondContact O-N 3.43Å; T57-T61 PolarHBondContact O-OG1 3.26Å; T57-L122 VanDerWaalsContact C-CD1 3.49Å
58M96.8Very high97.9Very high59 Ų5952.8 Ų52.829%0.29127%0.271SS..Iπ-helixtrans-58-39.7174.3-67.2-65.1-73.900112L62 K63 L122 T126 I131 A135M58-L62 HydrophobicContact CE-CD2 3.42Å; M58-L62 VanDerWaalsContact CE-CD2 3.42Å; M58-L62 PolarHBondContact O-N 3.36Å; M58-L62 VanDerWaalsContact O-N 3.11Å; M58-L62 HydrophobicContact SD-CD2 4.1Å; M58-K63 PolarHBondContact O-N 3.16Å; M58-L122 HydrophobicContact SD-CD1 4.24Å; M58-L122 HydrophobicContact SD-CD2 4.07Å; M58-L122 HydrophobicContact SD-CG 4.36Å; M58-T126 HydrophobicContact CG-CG2 4.47Å; M58-T126 HydrophobicContact SD-CG2 4.02Å; M58-I131 HydrophobicContact CE-CD1 4.48Å; M58-I131 HydrophobicContact CE-CG2 4.21Å; M58-A135 HydrophobicContact CE-CB 4.4Å
59E97.1Very high97.8Very high122 Ų12254.4 Ų54.457%0.5728%0.278SS*.Iπ-helixtrans-70.9-56.6-175.9-171.564.3-162.400112T57 T61 K63 A64T57-E59 VanDerWaalsContact C-N 3.25Å; T57-E59 PolarHBondContact O-N 3.42Å; E59-T61 VanDerWaalsContact C-N 3.25Å; E59-T61 PolarHBondContact O-N 2.86Å; E59-K63 VanDerWaalsContact CD-CD 3.48Å; E59-K63 WeakPolarHBondContact OE1-CD 3.27Å; E59-K63 WeakPolarHBondContact OE2-CD 3.28Å; E59-A64 PolarHBondContact O-N 3.24Å
60N98Very high97.8Very high52 Ų5254.5 Ų54.528%0.27828%0.278SS..Iπ-helixtrans-77.8-6.4-173.3707.4000114.4L51 A55 T57L51-N60 HydrophobicContact CD1-CB 4.2Å; L51-N60 WeakPolarHBondContact CD1-O 3.32Å; A55-N60 PolarHBondContact O-ND2 2.92Å; T57-N60 PolarHBondContact N-OD1 3.09Å; T57-N60 PolarHBondContact O-OD1 3.2Å; T57-N60 PolarHBondContact OG1-N 2.63Å; T57-N60 PolarHBondContact OG1-ND2 2.93Å; T57-N60 PolarHBondContact OG1-OD1 3.24Å
61T98.4Very high97.7Very high0 Ų049 Ų490%026%0.26CS..Iπ-helixtrans-124.1-69-177.7-54.80000111.2V48 T57 E59 L65 R118 I119 L122V48-T61 HydrophobicContact CG1-CG2 4.01Å; T57-T61 VanDerWaalsContact O-CB 3.31Å; T57-T61 WeakPolarHBondContact O-CB 3.44Å; T57-T61 PolarHBondContact O-N 3.43Å; T57-T61 PolarHBondContact O-OG1 3.26Å; E59-T61 VanDerWaalsContact C-N 3.25Å; E59-T61 PolarHBondContact O-N 2.86Å; T61-L65 VanDerWaalsContact O-CG 3.27Å; T61-L65 WeakPolarHBondContact O-CG 3.38Å; T61-L65 PolarHBondContact O-N 2.97Å; T61-L65 VanDerWaalsContact O-N 3.13Å; T61-R118 HydrophobicContact CG2-CB 4.19Å; T61-I119 HydrophobicContact CG2-CG1 4.47Å; T61-L122 HydrophobicContact CG2-CD2 4.14Å
62L97.6Very high97.7Very high1 Ų148 Ų481%0.00525%0.254CS..Iπ-helixtrans-70.3-47.2-172.9-163.872.5000111.9M58 L65 A66 L122 Y138 M139 L142M58-L62 HydrophobicContact CE-CD2 3.42Å; M58-L62 VanDerWaalsContact CE-CD2 3.42Å; M58-L62 PolarHBondContact O-N 3.36Å; M58-L62 VanDerWaalsContact O-N 3.11Å; M58-L62 HydrophobicContact SD-CD2 4.1Å; L62-L65 PolarHBondContact O-N 3.42Å; L62-A66 WeakPolarHBondContact O-CB 3.42Å; L62-A66 PolarHBondContact O-N 3.21Å; L62-L122 HydrophobicContact CB-CD2 3.79Å; L62-Y138 HydrophobicContact CD1-CD1 3.52Å; L62-Y138 HydrophobicContact CD1-CE1 3.8Å; L62-Y138 HydrophobicContact CD2-CD1 4.27Å; L62-Y138 HydrophobicContact CG-CD1 3.77Å; L62-Y138 HydrophobicContact CG-CE1 4.09Å; L62-M139 HydrophobicContact CD1-CB 3.95Å; L62-M139 HydrophobicContact CD1-CG 4.39Å; L62-M139 HydrophobicContact CD2-CB 4.33Å; L62-L142 HydrophobicContact CD1-CD1 3.82Å
63K97.6Very high97.7Very high57 Ų5742.7 Ų42.725%0.24823%0.231CC..Iπ-helixtrans-67.5-41.9178.2-165.4-167.8-177.2-51.50111.4M58 E59 L65 A66 D67 P433M58-K63 PolarHBondContact O-N 3.16Å; E59-K63 VanDerWaalsContact CD-CD 3.48Å; E59-K63 WeakPolarHBondContact OE1-CD 3.27Å; E59-K63 WeakPolarHBondContact OE2-CD 3.28Å; K63-L65 VanDerWaalsContact C-N 3.3Å; K63-L65 PolarHBondContact O-N 3.47Å; K63-A66 PolarHBondContact O-N 3.34Å; K63-A66 VanDerWaalsContact O-N 3.16Å; K63-D67 IonicContact NZ-OD1 3.03Å; K63-D67 PolarHBondContact NZ-OD1 2.93Å; K63-D67 IonicContact NZ-OD2 2.75Å; K63-D67 PolarHBondContact NZ-OD2 3.26Å; K63-D67 WeakPolarHBondContact O-CB 3.38Å; K63-D67 VanDerWaalsContact O-CG 3.23Å; K63-D67 PolarHBondContact O-N 3.48Å; K63-P433 PolarHBondContact NZ-O 2.68Å; K63-P433 VanDerWaalsContact NZ-O 3.17Å
64A98.4Very high97.7Very high25 Ų2539 Ų3921%0.20721%0.212CC..Hα-helixtrans-56-42.3175.100000112.9V48 E59 V68V48-A64 HydrophobicContact CG2-CB 4.08Å; E59-A64 PolarHBondContact O-N 3.24Å; A64-V68 WeakPolarHBondContact O-CG1 3.47Å; A64-V68 PolarHBondContact O-N 3.05Å
65L98.6Very high97.8Very high5 Ų533.4 Ų33.43%0.02618%0.181CC..Hα-helixtrans-69.9-41.3175.5-68.7173.2000112.3Y45 V48 T61 L62 K63 V68 E69 V115 I119 L142Y45-L65 HydrophobicContact CD1-CD2 4.1Å; Y45-L65 HydrophobicContact CE1-CD2 3.88Å; Y45-L65 HydrophobicContact CE2-CD2 4.42Å; Y45-L65 HydrophobicContact CG-CD2 4.45Å; V48-L65 HydrophobicContact CG1-CD1 4.49Å; V48-L65 HydrophobicContact CG2-CD2 4.31Å; V48-L65 HydrophobicContact CG2-CG 4.38Å; T61-L65 VanDerWaalsContact O-CG 3.27Å; T61-L65 WeakPolarHBondContact O-CG 3.38Å; T61-L65 PolarHBondContact O-N 2.97Å; T61-L65 VanDerWaalsContact O-N 3.13Å; L62-L65 PolarHBondContact O-N 3.42Å; K63-L65 VanDerWaalsContact C-N 3.3Å; K63-L65 PolarHBondContact O-N 3.47Å; L65-V68 VanDerWaalsContact O-CG1 3.31Å; L65-V68 WeakPolarHBondContact O-CG1 3.47Å; L65-E69 WeakPolarHBondContact O-CB 3.47Å; L65-E69 PolarHBondContact O-N 3.07Å; L65-E69 VanDerWaalsContact O-N 3.08Å; L65-V115 HydrophobicContact CD1-CG1 4.1Å; L65-V115 HydrophobicContact CD2-CG1 4.21Å; L65-I119 HydrophobicContact CD1-CD1 3.8Å; L65-I119 HydrophobicContact CD1-CG1 4.01Å; L65-L142 HydrophobicContact CD1-CD1 4.43Å
66A98.4Very high97.9Very high10 Ų1033 Ų338%0.08317%0.169CC..Hα-helixtrans-64.5-43.9177.200000112.3L62 K63 E69 V70 Y138 Y484L62-A66 WeakPolarHBondContact O-CB 3.42Å; L62-A66 PolarHBondContact O-N 3.21Å; K63-A66 PolarHBondContact O-N 3.34Å; K63-A66 VanDerWaalsContact O-N 3.16Å; A66-E69 WeakPolarHBondContact O-CB 3.46Å; A66-E69 PolarHBondContact O-N 3.02Å; A66-V70 WeakPolarHBondContact O-CG2 3.35Å; A66-V70 PolarHBondContact O-N 3.1Å; A66-Y138 HydrophobicContact CB-CE1 3.92Å; A66-Y484 HydrophobicContact CB-CD1 3.62Å; A66-Y484 HydrophobicContact CB-CE1 3.64Å
67D98.3Very high97.8Very high41 Ų4133.8 Ų33.822%0.21917%0.173CC..Hα-helixtrans-63.8-42.9-179.6-74-10.7000111.3K63 E69 V70 E71 P433K63-D67 IonicContact NZ-OD1 3.03Å; K63-D67 PolarHBondContact NZ-OD1 2.93Å; K63-D67 IonicContact NZ-OD2 2.75Å; K63-D67 PolarHBondContact NZ-OD2 3.26Å; K63-D67 WeakPolarHBondContact O-CB 3.38Å; K63-D67 VanDerWaalsContact O-CG 3.23Å; K63-D67 PolarHBondContact O-N 3.48Å; D67-E69 VanDerWaalsContact C-N 3.33Å; D67-V70 PolarHBondContact O-N 3.27Å; D67-E71 PolarHBondContact O-N 2.96Å; D67-P433 HydrophobicContact CB-CG 3.96Å
68V98.4Very high97.8Very high15 Ų1530.9 Ų30.99%0.09116%0.155CC..Hα-helixtrans-70.5-31177.874.90000112T41 V44 Y45 A64 L65 V70 E71 Y72T41-V68 HydrophobicContact CG2-CG2 3.92Å; V44-V68 HydrophobicContact CB-CB 4.21Å; V44-V68 HydrophobicContact CB-CG1 4.33Å; V44-V68 HydrophobicContact CB-CG2 4.04Å; V44-V68 HydrophobicContact CG1-CB 3.97Å; V44-V68 HydrophobicContact CG1-CG1 3.91Å; V44-V68 HydrophobicContact CG1-CG2 4.36Å; V44-V68 HydrophobicContact CG2-CB 4.2Å; V44-V68 HydrophobicContact CG2-CG2 3.84Å; Y45-V68 HydrophobicContact CE2-CG1 4.05Å; A64-V68 WeakPolarHBondContact O-CG1 3.47Å; A64-V68 PolarHBondContact O-N 3.05Å; L65-V68 VanDerWaalsContact O-CG1 3.31Å; L65-V68 WeakPolarHBondContact O-CG1 3.47Å; V68-V70 VanDerWaalsContact C-N 3.32Å; V68-V70 PolarHBondContact O-N 3.47Å; V68-E71 PolarHBondContact O-N 2.98Å; V68-Y72 WeakPolarHBondContact O-CB 3.47Å; V68-Y72 PolarHBondContact O-N 3.41Å
69E98.3Very high97.9Very high36 Ų3628.2 Ų28.217%0.16814%0.142CC..Hα-helixtrans-60.7-42174-170.2176.617900111.2L65 A66 D67 Y72 T73 Y138 A485 M486L65-E69 WeakPolarHBondContact O-CB 3.47Å; L65-E69 PolarHBondContact O-N 3.07Å; L65-E69 VanDerWaalsContact O-N 3.08Å; A66-E69 WeakPolarHBondContact O-CB 3.46Å; A66-E69 PolarHBondContact O-N 3.02Å; D67-E69 VanDerWaalsContact C-N 3.33Å; E69-Y72 PolarHBondContact O-N 3.17Å; E69-T73 WeakPolarHBondContact O-CB 3.34Å; E69-T73 PolarHBondContact O-N 3.37Å; E69-T73 PolarHBondContact O-OG1 3.31Å; E69-Y138 VanDerWaalsContact OE2-CE2 3.3Å; E69-Y138 WeakPolarHBondContact OE2-CE2 3.33Å; E69-Y138 PolarHBondContact OE2-OH 3.5Å; E69-A485 HydrophobicContact CG-CB 4.15Å; E69-M486 WeakPolarHBondContact OE1-CA 3.33Å; E69-M486 VanDerWaalsContact OE1-CB 3.3Å; E69-M486 WeakPolarHBondContact OE1-CB 3.4Å; E69-M486 PolarHBondContact OE1-N 3.48Å
70V97.6Very high97.7Very high6 Ų623.2 Ų23.24%0.03612%0.119CC..Hα-helixtrans-59.2-50.4175.6179.10000111.4A66 D67 V68 V74 A485A66-V70 WeakPolarHBondContact O-CG2 3.35Å; A66-V70 PolarHBondContact O-N 3.1Å; D67-V70 PolarHBondContact O-N 3.27Å; V68-V70 VanDerWaalsContact C-N 3.32Å; V68-V70 PolarHBondContact O-N 3.47Å; V70-V74 WeakPolarHBondContact O-CG2 3.28Å; V70-V74 PolarHBondContact O-N 3.03Å; V70-A485 HydrophobicContact CG2-CB 4.12Å
71E96.8Very high97.7Very high71 Ų7120.9 Ų20.933%0.33211%0.106SC..Hα-helixtrans-66-43.2-179.3-174.457.2-152.500111.6R20 D67 V68 V74 Q75R20-E71 IonicContact CZ-OE1 3.67Å; R20-E71 IonicContact CZ-OE2 3.2Å; R20-E71 IonicContact NH1-OE2 3.48Å; R20-E71 PolarHBondContact NH1-OE2 3.31Å; R20-E71 IonicContact NH2-OE1 2.68Å; R20-E71 PolarHBondContact NH2-OE1 3.33Å; R20-E71 IonicContact NH2-OE2 3.12Å; R20-E71 PolarHBondContact NH2-OE2 2.92Å; D67-E71 PolarHBondContact O-N 2.96Å; V68-E71 PolarHBondContact O-N 2.98Å; E71-V74 PolarHBondContact O-N 3.3Å; E71-Q75 HydrophobicContact CG-CG 4.49Å; E71-Q75 WeakPolarHBondContact O-CG 3.33Å; E71-Q75 PolarHBondContact O-N 3.39Å; E71-Q75 VanDerWaalsContact O-N 3.14Å; E71-Q75 WeakPolarHBondContact OE1-CG 3.09Å; E71-Q75 PolarHBondContact OE1-NE2 3.39Å
72Y98.4Very high97.6Very high19 Ų1921.5 Ų21.58%0.07511%0.11CC..Hα-helixtrans-60.6-49.8-179.1178.6-105.8000111.7L37 T41 V68 E69 V74 Q75 R76 L102 F105 D106L37-Y72 HydrophobicContact CD1-CD2 3.79Å; L37-Y72 HydrophobicContact CD1-CE2 4.45Å; L37-Y72 HydrophobicContact CD2-CD2 3.9Å; L37-Y72 HydrophobicContact CD2-CE2 3.84Å; L37-Y72 HydrophobicContact CG-CD2 3.73Å; L37-Y72 HydrophobicContact CG-CE2 3.89Å; T41-Y72 HydrophobicContact CG2-CD2 4.05Å; T41-Y72 HydrophobicContact CG2-CG 4.37Å; T41-Y72 WeakPolarHBondContact OG1-CD2 3.05Å; V68-Y72 WeakPolarHBondContact O-CB 3.47Å; V68-Y72 PolarHBondContact O-N 3.41Å; E69-Y72 PolarHBondContact O-N 3.17Å; Y72-V74 PolarHBondContact O-N 2.95Å; Y72-Q75 PolarHBondContact O-N 2.9Å; Y72-R76 HydrophobicContact CE1-CB 4.45Å; Y72-R76 WeakPolarHBondContact O-CB 3.45Å; Y72-R76 PolarHBondContact O-N 2.92Å; Y72-L102 HydrophobicContact CE2-CD2 4.09Å; Y72-L102 PolarHBondContact OH-O 3.05Å; Y72-F105 AromaticContact CE2-CD1 4Å; Y72-F105 HydrophobicContact CE2-CD1 4Å; Y72-F105 AromaticContact CE2-CE1 3.98Å; Y72-F105 HydrophobicContact CE2-CE1 3.98Å; Y72-D106 WeakPolarHBondContact CE1-OD1 3.17Å; Y72-D106 VanDerWaalsContact OH-CG 3.23Å; Y72-D106 PolarHBondContact OH-OD1 2.8Å; Y72-D106 PolarHBondContact OH-OD2 2.88Å
73T97.8Very high97.3Very high30 Ų3023.1 Ų23.118%0.18412%0.118CC..Hα-helixtrans-60.4-44.8-178.8-61.30000111.9E69 Q75 R76 N77 P428E69-T73 WeakPolarHBondContact O-CB 3.34Å; E69-T73 PolarHBondContact O-N 3.37Å; E69-T73 PolarHBondContact O-OG1 3.31Å; T73-Q75 PolarHBondContact O-N 3.47Å; T73-R76 PolarHBondContact O-N 3.43Å; T73-N77 WeakPolarHBondContact O-CB 3.48Å; T73-N77 PolarHBondContact O-N 3.4Å; T73-N77 PolarHBondContact O-ND2 2.96Å; T73-N77 PolarHBondContact O-OD1 2.92Å; T73-P428 HydrophobicContact CG2-CG 4.04Å
74V97.2Very high97Very high0 Ų022.4 Ų22.40%012%0.116CC..Hα-helixtrans-62.8-44.9179.7175.10000111.5R20 L21 V70 E71 Y72 M78 Q427 P428R20-V74 HydrophobicContact CB-CG1 4.07Å; L21-V74 HydrophobicContact CD2-CG1 4.43Å; V70-V74 WeakPolarHBondContact O-CG2 3.28Å; V70-V74 PolarHBondContact O-N 3.03Å; E71-V74 PolarHBondContact O-N 3.3Å; Y72-V74 PolarHBondContact O-N 2.95Å; V74-M78 HydrophobicContact CG1-CE 4.31Å; V74-M78 PolarHBondContact O-N 3.33Å; V74-Q427 HydrophobicContact CG2-CG 4.01Å; V74-P428 HydrophobicContact CG2-CG 4.49Å
75Q98.1Very high96.8Very high34 Ų3421.3 Ų21.316%0.15911%0.106CC..Hα-helixtrans-69.7-44179.1-61.5-63.2-35.100111.9L37 E71 Y72 T73 N77 M78 L79L37-Q75 HydrophobicContact CD1-CB 3.65Å; L37-Q75 HydrophobicContact CD1-CG 4.09Å; L37-Q75 HydrophobicContact CD2-CB 3.72Å; L37-Q75 HydrophobicContact CG-CB 4.27Å; E71-Q75 HydrophobicContact CG-CG 4.49Å; E71-Q75 WeakPolarHBondContact O-CG 3.33Å; E71-Q75 PolarHBondContact O-N 3.39Å; E71-Q75 VanDerWaalsContact O-N 3.14Å; E71-Q75 WeakPolarHBondContact OE1-CG 3.09Å; E71-Q75 PolarHBondContact OE1-NE2 3.39Å; Y72-Q75 PolarHBondContact O-N 2.9Å; T73-Q75 PolarHBondContact O-N 3.47Å; Q75-N77 VanDerWaalsContact C-N 3.3Å; Q75-N77 PolarHBondContact O-N 3.12Å; Q75-M78 VanDerWaalsContact CD-CE 3.45Å; Q75-M78 HydrophobicContact CG-CE 4.43Å; Q75-M78 PolarHBondContact O-N 2.89Å; Q75-L79 VanDerWaalsContact O-CG 3.31Å; Q75-L79 WeakPolarHBondContact O-CG 3.4Å; Q75-L79 PolarHBondContact O-N 3.47Å
76R98.2Very high96.7Very high41 Ų4121.8 Ų21.816%0.15511%0.11CC..Hα-helixtrans-55-47177.7-177.4-178.8-170.3-60.8-16.8110.7L37 Y72 T73 M78 L79 D80 D99 L102 S103 D106L37-R76 HydrophobicContact CD2-CB 4.3Å; Y72-R76 HydrophobicContact CE1-CB 4.45Å; Y72-R76 WeakPolarHBondContact O-CB 3.45Å; Y72-R76 PolarHBondContact O-N 2.92Å; T73-R76 PolarHBondContact O-N 3.43Å; R76-M78 VanDerWaalsContact C-N 3.29Å; R76-M78 PolarHBondContact O-N 2.9Å; R76-L79 WeakPolarHBondContact O-CA 3.08Å; R76-L79 WeakPolarHBondContact O-CB 2.83Å; R76-L79 PolarHBondContact O-N 3.3Å; R76-D80 IonicContact CZ-OD2 3.79Å; R76-D80 IonicContact NH1-OD2 3.72Å; R76-D80 PolarHBondContact NH1-OD2 2.76Å; R76-D80 PolarHBondContact O-N 3.35Å; R76-D99 IonicContact CZ-OD1 2.69Å; R76-D99 IonicContact NH2-OD1 3.01Å; R76-D99 PolarHBondContact NH2-OD1 3.43Å; R76-L102 HydrophobicContact CG-CD1 4.13Å; R76-S103 PolarHBondContact NH2-OG 3.42Å; R76-D106 IonicContact CZ-OD2 2.73Å; R76-D106 IonicContact NE-OD2 2.64Å; R76-D106 PolarHBondContact NE-OD2 3.43Å; R76-D106 VanDerWaalsContact NE-OD2 3.08Å; R76-D106 IonicContact NH2-OD2 3.27Å
77N97.1Very high96.5Very high22 Ų2224.8 Ų24.812%0.11813%0.128CC..Hα-helixtrans-64.3-29.4-178.5-69.2-8.3000113.6T73 Q75 L79 D80 F81 G425 L426T73-N77 WeakPolarHBondContact O-CB 3.48Å; T73-N77 PolarHBondContact O-N 3.4Å; T73-N77 PolarHBondContact O-ND2 2.96Å; T73-N77 PolarHBondContact O-OD1 2.92Å; Q75-N77 VanDerWaalsContact C-N 3.3Å; Q75-N77 PolarHBondContact O-N 3.12Å; N77-L79 VanDerWaalsContact C-N 3.26Å; N77-L79 PolarHBondContact O-N 2.91Å; N77-D80 WeakPolarHBondContact CA-OD1 3.43Å; N77-F81 WeakPolarHBondContact O-CB 3.36Å; N77-F81 PolarHBondContact O-N 3.48Å; N77-G425 PolarHBondContact ND2-O 3.26Å; N77-G425 VanDerWaalsContact ND2-O 3.15Å; N77-L426 WeakPolarHBondContact CB-O 3.17Å; N77-L426 PolarHBondContact ND2-O 2.97Å
78M96.8Very high96.4Very high3 Ų325.4 Ų25.42%0.01514%0.135CC..Hα-helixtrans-71-23.6171.9-73.8-173.9-79.400113L21 R22 L25 V74 Q75 R76 P82L21-M78 VanDerWaalsContact CA-SD 3.6Å; L21-M78 HydrophobicContact CB-CG 4.36Å; L21-M78 HydrophobicContact CD2-CG 3.64Å; L21-M78 HydrophobicContact CD2-SD 4.41Å; R22-M78 HydrophobicContact CB-SD 3.97Å; R22-M78 HydrophobicContact CG-SD 4.25Å; R22-M78 PolarHBondContact N-SD 3.37Å; L25-M78 HydrophobicContact CD1-CB 4.48Å; V74-M78 HydrophobicContact CG1-CE 4.31Å; V74-M78 PolarHBondContact O-N 3.33Å; Q75-M78 VanDerWaalsContact CD-CE 3.45Å; Q75-M78 HydrophobicContact CG-CE 4.43Å; Q75-M78 PolarHBondContact O-N 2.89Å; R76-M78 VanDerWaalsContact C-N 3.29Å; R76-M78 PolarHBondContact O-N 2.9Å; M78-P82 WeakPolarHBondContact O-CD 3.42Å; M78-P82 WeakPolarHBondContact O-CG 3.34Å
79L98.2Very high96.1Very high2 Ų232 Ų321%0.0116%0.163CC..Hα-helixtrans-94.5-35-174.3-60.3171000112.1L25 I30 R33 L37 Q75 R76 N77 S95 A98 L102L25-L79 HydrophobicContact CD1-CD2 4.26Å; I30-L79 HydrophobicContact CB-CD2 4.38Å; I30-L79 HydrophobicContact CG1-CD2 4.44Å; I30-L79 HydrophobicContact CG2-CD2 4.18Å; R33-L79 HydrophobicContact CB-CD1 4.34Å; R33-L79 HydrophobicContact CB-CD2 3.71Å; L37-L79 HydrophobicContact CD2-CD1 3.93Å; Q75-L79 VanDerWaalsContact O-CG 3.31Å; Q75-L79 WeakPolarHBondContact O-CG 3.4Å; Q75-L79 PolarHBondContact O-N 3.47Å; R76-L79 WeakPolarHBondContact O-CA 3.08Å; R76-L79 WeakPolarHBondContact O-CB 2.83Å; R76-L79 PolarHBondContact O-N 3.3Å; N77-L79 VanDerWaalsContact C-N 3.26Å; N77-L79 PolarHBondContact O-N 2.91Å; L79-S95 WeakPolarHBondContact O-CA 3.3Å; L79-S95 VanDerWaalsContact O-CB 3.24Å; L79-S95 WeakPolarHBondContact O-CB 3.43Å; L79-S95 PolarHBondContact O-OG 2.9Å; L79-A98 HydrophobicContact CB-CB 4.38Å; L79-L102 HydrophobicContact CB-CD1 4.19Å; L79-L102 HydrophobicContact CD1-CD1 3.98Å
80D92.6Very high96Very high18 Ų1835.6 Ų35.610%0.09618%0.183CC..Hα-helixtrans-94.5-26.2-177.971.3-0.4000113.9R76 N77 P82 Q83 H84 S95 D99R76-D80 IonicContact CZ-OD2 3.79Å; R76-D80 IonicContact NH1-OD2 3.72Å; R76-D80 PolarHBondContact NH1-OD2 2.76Å; R76-D80 PolarHBondContact O-N 3.35Å; N77-D80 WeakPolarHBondContact CA-OD1 3.43Å; D80-P82 VanDerWaalsContact C-CD 3.46Å; D80-Q83 WeakPolarHBondContact O-CG 3.4Å; D80-Q83 PolarHBondContact O-NE2 3.02Å; D80-H84 PolarHBondContact O-CE1 3.33Å; D80-H84 PolarHBondContact O-ND1 3.42Å; D80-S95 VanDerWaalsContact C-OG 3.31Å; D80-S95 WeakPolarHBondContact CA-OG 3.44Å; D80-S95 PolarHBondContact O-OG 3.44Å; D80-S95 VanDerWaalsContact O-OG 3.12Å; D80-D99 HydrophobicContact CB-CB 3.83Å
81F97.8Very high96.1Very high2 Ų236.2 Ų36.21%0.00919%0.187CC..THydrogen-bonded Turntrans-65.7-37.3-178.4-174.6-116.7000113.4W23 N77 Q83 H84 V85 W386 F424 L426 A443 V445W23-F81 HydrophobicContact CE3-CD1 4.3Å; W23-F81 AromaticContact CH2-CD1 3.73Å; W23-F81 HydrophobicContact CH2-CD1 3.73Å; W23-F81 HydrophobicContact CH2-CE1 4.3Å; W23-F81 HydrophobicContact CZ3-CB 4.3Å; W23-F81 AromaticContact CZ3-CD1 3.53Å; W23-F81 HydrophobicContact CZ3-CD1 3.53Å; W23-F81 HydrophobicContact CZ3-CE1 4.36Å; W23-F81 HydrophobicContact CZ3-CG 4.36Å; N77-F81 WeakPolarHBondContact O-CB 3.36Å; N77-F81 PolarHBondContact O-N 3.48Å; F81-Q83 PolarHBondContact O-N 2.85Å; F81-Q83 VanDerWaalsContact O-N 3.07Å; F81-H84 WeakPolarHBondContact O-CB 3.45Å; F81-H84 PolarHBondContact O-N 2.9Å; F81-H84 PolarHBondContact O-ND1 3.05Å; F81-H84 VanDerWaalsContact O-ND1 3.17Å; F81-V85 HydrophobicContact CD1-CG2 3.84Å; F81-V85 HydrophobicContact CE1-CB 4.4Å; F81-V85 HydrophobicContact CE1-CG1 4.02Å; F81-V85 HydrophobicContact CE1-CG2 3.53Å; F81-V85 HydrophobicContact CE2-CG1 4.03Å; F81-V85 HydrophobicContact CZ-CB 4.42Å; F81-V85 HydrophobicContact CZ-CG1 3.57Å; F81-V85 HydrophobicContact CZ-CG2 3.99Å; F81-W386 HydrophobicContact CE1-CD2 4.14Å; F81-W386 AromaticContact CE1-CE3 3.94Å; F81-W386 HydrophobicContact CE1-CE3 3.94Å; F81-W386 AromaticContact CE1-CH2 3.61Å; F81-W386 HydrophobicContact CE1-CH2 3.61Å; F81-W386 AromaticContact CE1-CZ2 3.82Å; F81-W386 HydrophobicContact CE1-CZ2 3.82Å; F81-W386 AromaticContact CE1-CZ3 3.69Å; F81-W386 HydrophobicContact CE1-CZ3 3.69Å; F81-W386 HydrophobicContact CZ-CH2 4Å; F81-W386 AromaticContact CZ-CZ2 4Å; F81-W386 HydrophobicContact CZ-CZ2 4Å; F81-F424 HydrophobicContact CD2-CB 4.13Å; F81-F424 AromaticContact CD2-CD1 3.85Å; F81-F424 HydrophobicContact CD2-CD1 3.85Å; F81-F424 HydrophobicContact CD2-CE1 4.41Å; F81-F424 AromaticContact CD2-CG 3.97Å; F81-F424 HydrophobicContact CD2-CG 3.97Å; F81-F424 HydrophobicContact CE2-CB 3.71Å; F81-F424 AromaticContact CE2-CD1 3.78Å; F81-F424 HydrophobicContact CE2-CD1 3.78Å; F81-F424 AromaticContact CE2-CD2 3.76Å; F81-F424 HydrophobicContact CE2-CD2 3.76Å; F81-F424 HydrophobicContact CE2-CE1 4.32Å; F81-F424 HydrophobicContact CE2-CE2 4.29Å; F81-F424 AromaticContact CE2-CG 3.47Å; F81-F424 HydrophobicContact CE2-CG 3.47Å; F81-F424 VanDerWaalsContact CE2-CG 3.47Å; F81-L426 HydrophobicContact CB-CD2 4.19Å; F81-L426 HydrophobicContact CD1-CD2 3.94Å; F81-L426 HydrophobicContact CD2-CD2 3.82Å; F81-L426 HydrophobicContact CE1-CD1 4.49Å; F81-L426 HydrophobicContact CE1-CD2 4.22Å; F81-L426 HydrophobicContact CE2-CD2 4.15Å; F81-L426 HydrophobicContact CG-CD2 3.71Å; F81-L426 HydrophobicContact CZ-CD2 4.33Å; F81-A443 HydrophobicContact CE1-CB 4.4Å; F81-A443 HydrophobicContact CE2-CB 4.46Å; F81-A443 HydrophobicContact CZ-CB 3.79Å; F81-V445 HydrophobicContact CZ-CG2 4.36Å
82P98.2Very high95.9Very high13 Ų1334.3 Ų34.38%0.08418%0.177CC..Hα-helixtrans-55.6-28.8-178.6-27.635000115M78 D80 H84 V85 S86 V91M78-P82 WeakPolarHBondContact O-CD 3.42Å; M78-P82 WeakPolarHBondContact O-CG 3.34Å; D80-P82 VanDerWaalsContact C-CD 3.46Å; P82-H84 PolarHBondContact O-N 3.28Å; P82-H84 VanDerWaalsContact O-N 3.14Å; P82-V85 PolarHBondContact O-N 3.4Å; P82-S86 WeakPolarHBondContact O-CB 3.29Å; P82-S86 PolarHBondContact O-N 3.12Å; P82-V91 HydrophobicContact CB-CG1 3.76Å
83Q90.6Very high95.4Very high35 Ų3536.2 Ų36.216%0.16420%0.196CC..Hα-helixtrans-58.7-25.4176.180.4-169.8-62.900113.3D80 F81 R92 S95 T96 D99D80-Q83 WeakPolarHBondContact O-CG 3.4Å; D80-Q83 PolarHBondContact O-NE2 3.02Å; F81-Q83 PolarHBondContact O-N 2.85Å; F81-Q83 VanDerWaalsContact O-N 3.07Å; Q83-R92 WeakPolarHBondContact O-CD 3.35Å; Q83-S95 PolarHBondContact N-OG 2.67Å; Q83-T96 WeakPolarHBondContact CB-OG1 3.36Å; Q83-T96 PolarHBondContact OE1-OG1 3.07Å; Q83-D99 PolarHBondContact NE2-OD2 3.43Å
84H90.3Very high95.3Very high43 Ų4335.2 Ų35.220%0.19919%0.191CC..Hα-helixtrans-89.4-23-177.4-52.3104.4000113.4D80 F81 P82 K417 Y418 F424D80-H84 PolarHBondContact O-CE1 3.33Å; D80-H84 PolarHBondContact O-ND1 3.42Å; F81-H84 WeakPolarHBondContact O-CB 3.45Å; F81-H84 PolarHBondContact O-N 2.9Å; F81-H84 PolarHBondContact O-ND1 3.05Å; F81-H84 VanDerWaalsContact O-ND1 3.17Å; P82-H84 PolarHBondContact O-N 3.28Å; P82-H84 VanDerWaalsContact O-N 3.14Å; H84-K417 CarbonylContact O-C 3.53Å; H84-K417 VanDerWaalsContact O-CA 3.32Å; H84-K417 WeakPolarHBondContact O-CA 3.47Å; H84-Y418 PolarHBondContact O-N 2.9Å; H84-F424 HydrophobicContact CB-CE1 4.47Å; H84-F424 HydrophobicContact CB-CZ 4.3Å; H84-F424 AromaticContact CG-CE1 3.93Å; H84-F424 AromaticContact ND1-CE1 3.97Å
85V95.9Very high95.3Very high2 Ų235.2 Ų35.21%0.01219%0.191CC..Hα-helixtrans-137.5-20.9-164.8-62.60000115.3F81 P82 W386 R414 V445F81-V85 HydrophobicContact CD1-CG2 3.84Å; F81-V85 HydrophobicContact CE1-CB 4.4Å; F81-V85 HydrophobicContact CE1-CG1 4.02Å; F81-V85 HydrophobicContact CE1-CG2 3.53Å; F81-V85 HydrophobicContact CE2-CG1 4.03Å; F81-V85 HydrophobicContact CZ-CB 4.42Å; F81-V85 HydrophobicContact CZ-CG1 3.57Å; F81-V85 HydrophobicContact CZ-CG2 3.99Å; P82-V85 PolarHBondContact O-N 3.4Å; V85-W386 HydrophobicContact CB-CD2 4.47Å; V85-W386 HydrophobicContact CB-CG 4.16Å; V85-W386 HydrophobicContact CG2-CB 4.27Å; V85-W386 HydrophobicContact CG2-CD2 3.87Å; V85-W386 HydrophobicContact CG2-CG 3.64Å; V85-R414 PolarHBondContact O-NE 2.78Å; V85-R414 PolarHBondContact O-NH2 2.77Å; V85-V445 HydrophobicContact CG1-CG2 4.17Å
86S96.6Very high94.7Very high15 Ų1536.9 Ų36.911%0.10520%0.204CC..  trans-64.8131.1-176178.60000110.2P82 C88 V91 R92P82-S86 WeakPolarHBondContact O-CB 3.29Å; P82-S86 PolarHBondContact O-N 3.12Å; S86-C88 PolarHBondContact O-N 3.28Å; S86-C88 PolarHBondContact OG-N 3.34Å; S86-V91 WeakPolarHBondContact OG-CG1 3.46Å; S86-R92 VanDerWaalsContact O-CD 3.31Å; S86-R92 WeakPolarHBondContact O-CD 3.46Å; S86-R92 WeakPolarHBondContact O-CG 3.35Å; S86-R92 PolarHBondContact O-NH1 3.13Å
87P93.4Very high94.3Very high72 Ų7239.2 Ų39.247%0.46822%0.216SC..SBendtrans-68.1-21.1173.329.4-34.3000111.9R92P87-R92 PolarHBondContact O-NH1 3.05Å
88C96.7Very high94.2Very high54 Ų5438.3 Ų38.337%0.36521%0.212SC..  trans-84.7118.8-178.4178.30000112S86 D90 V91 R92S86-C88 PolarHBondContact O-N 3.28Å; S86-C88 PolarHBondContact OG-N 3.34Å; C88-D90 VanDerWaalsContact C-N 3.34Å; C88-D90 PolarHBondContact O-N 3.4Å; C88-V91 HydrophobicContact CB-CB 3.98Å; C88-V91 HydrophobicContact CB-CG2 3.88Å; C88-V91 PolarHBondContact O-N 3.31Å; C88-R92 WeakPolarHBondContact O-CG 3.46Å; C88-R92 PolarHBondContact O-N 2.91Å
89K92.3Very high93.9Very high154 Ų15440 Ų4067%0.6722%0.221SC*.Hα-helixtrans-58-41.6178.9-172.9178.9179179.10113.1V91 R92 A93K89-V91 PolarHBondContact O-N 3.05Å; K89-R92 PolarHBondContact O-N 3.34Å; K89-A93 PolarHBondContact O-N 3.1Å
90D96.5Very high93.2Very high112 Ų11244.3 Ų44.360%0.59924%0.24SC*.Hα-helixtrans-69.3-34.7-178.3-62.1-24.7000112.2P27 C88 A94P27-D90 HydrophobicContact CG-CB 4.03Å; C88-D90 VanDerWaalsContact C-N 3.34Å; C88-D90 PolarHBondContact O-N 3.4Å; D90-A94 WeakPolarHBondContact O-CB 3.25Å; D90-A94 PolarHBondContact O-N 3.44Å
91V97.8Very high93.3Very high18 Ų1847.3 Ų47.311%0.10925%0.25CC..Hα-helixtrans-65.7-44.5172.2169.70000110.2P27 I30 P82 S86 C88 K89 A93 A94 S95P27-V91 HydrophobicContact CG-CG2 3.96Å; I30-V91 HydrophobicContact CD1-CG1 3.92Å; P82-V91 HydrophobicContact CB-CG1 3.76Å; S86-V91 WeakPolarHBondContact OG-CG1 3.46Å; C88-V91 HydrophobicContact CB-CB 3.98Å; C88-V91 HydrophobicContact CB-CG2 3.88Å; C88-V91 PolarHBondContact O-N 3.31Å; K89-V91 PolarHBondContact O-N 3.05Å; V91-A93 PolarHBondContact O-N 2.78Å; V91-A94 PolarHBondContact O-N 3.1Å; V91-S95 VanDerWaalsContact O-CB 3.28Å; V91-S95 WeakPolarHBondContact O-CB 3.49Å; V91-S95 PolarHBondContact O-N 3.28Å
92R93.3Very high93.1Very high32 Ų3247.2 Ų47.212%0.12125%0.249CC..Hα-helixtrans-59.9-46.9175.9-66.3-166.5-59.1-86.34.8111.7Q83 S86 P87 C88 K89 A94 S95 T96 G416Q83-R92 WeakPolarHBondContact O-CD 3.35Å; S86-R92 VanDerWaalsContact O-CD 3.31Å; S86-R92 WeakPolarHBondContact O-CD 3.46Å; S86-R92 WeakPolarHBondContact O-CG 3.35Å; S86-R92 PolarHBondContact O-NH1 3.13Å; P87-R92 PolarHBondContact O-NH1 3.05Å; C88-R92 WeakPolarHBondContact O-CG 3.46Å; C88-R92 PolarHBondContact O-N 2.91Å; K89-R92 PolarHBondContact O-N 3.34Å; R92-A94 PolarHBondContact O-N 3.29Å; R92-S95 WeakPolarHBondContact O-CB 3.47Å; R92-S95 PolarHBondContact O-N 2.83Å; R92-T96 PolarHBondContact O-N 3.14Å; R92-T96 PolarHBondContact O-OG1 3.31Å; R92-G416 VanDerWaalsContact CD-O 3.22Å; R92-G416 WeakPolarHBondContact CD-O 3.43Å
93A88.1Confident92.4Very high58 Ų5848.8 Ų48.848%0.47926%0.26SS..Hα-helixtrans-61.1-43178.600000112.5K89 V91 S95 T96 E97K89-A93 PolarHBondContact O-N 3.1Å; V91-A93 PolarHBondContact O-N 2.78Å; A93-S95 VanDerWaalsContact C-N 3.33Å; A93-T96 PolarHBondContact O-N 3Å; A93-E97 PolarHBondContact O-N 3.23Å
94A96.8Very high92.1Very high9 Ų952.1 Ų52.17%0.07428%0.276CS..Hα-helixtrans-65.3-37.1175.400000112.6P27 I30 D90 V91 R92 E97 A98P27-A94 HydrophobicContact CB-CB 3.84Å; I30-A94 HydrophobicContact CB-CB 4.4Å; I30-A94 HydrophobicContact CD1-CB 4.46Å; I30-A94 HydrophobicContact CG2-CB 4.28Å; D90-A94 WeakPolarHBondContact O-CB 3.25Å; D90-A94 PolarHBondContact O-N 3.44Å; V91-A94 PolarHBondContact O-N 3.1Å; R92-A94 PolarHBondContact O-N 3.29Å; A94-E97 PolarHBondContact O-N 2.73Å; A94-A98 WeakPolarHBondContact O-CB 3.36Å; A94-A98 PolarHBondContact O-N 3.1Å
95S95.2Very high92.3Very high0 Ų050.4 Ų50.40%027%0.268CS..Hα-helixtrans-67-43.2176-1800000112.2L79 D80 Q83 V91 R92 A93 E97 A98 D99L79-S95 WeakPolarHBondContact O-CA 3.3Å; L79-S95 VanDerWaalsContact O-CB 3.24Å; L79-S95 WeakPolarHBondContact O-CB 3.43Å; L79-S95 PolarHBondContact O-OG 2.9Å; D80-S95 VanDerWaalsContact C-OG 3.31Å; D80-S95 WeakPolarHBondContact CA-OG 3.44Å; D80-S95 PolarHBondContact O-OG 3.44Å; D80-S95 VanDerWaalsContact O-OG 3.12Å; Q83-S95 PolarHBondContact N-OG 2.67Å; V91-S95 VanDerWaalsContact O-CB 3.28Å; V91-S95 WeakPolarHBondContact O-CB 3.49Å; V91-S95 PolarHBondContact O-N 3.28Å; R92-S95 WeakPolarHBondContact O-CB 3.47Å; R92-S95 PolarHBondContact O-N 2.83Å; A93-S95 VanDerWaalsContact C-N 3.33Å; S95-E97 PolarHBondContact O-N 2.86Å; S95-A98 WeakPolarHBondContact O-CB 3.35Å; S95-A98 PolarHBondContact O-N 3.33Å; S95-D99 WeakPolarHBondContact O-CB 3.44Å; S95-D99 PolarHBondContact O-N 3.06Å
96T86.3Confident92.1Very high69 Ų6952.7 Ų52.742%0.42328%0.28SS..Hα-helixtrans-61.8-41.8173.3-62.70000112.2Q83 R92 A93 D99 K100Q83-T96 WeakPolarHBondContact CB-OG1 3.36Å; Q83-T96 PolarHBondContact OE1-OG1 3.07Å; R92-T96 PolarHBondContact O-N 3.14Å; R92-T96 PolarHBondContact O-OG1 3.31Å; A93-T96 PolarHBondContact O-N 3Å; T96-D99 PolarHBondContact O-N 2.8Å; T96-K100 WeakPolarHBondContact O-CB 3.47Å; T96-K100 PolarHBondContact O-N 3.11Å
97E91Very high91.6Very high90 Ų9054.5 Ų54.542%0.42129%0.291SS..Hα-helixtrans-68.2-37.5175.7-176.457.9-155.100111.9A93 A94 S95 K100 R101A93-E97 PolarHBondContact O-N 3.23Å; A94-E97 PolarHBondContact O-N 2.73Å; S95-E97 PolarHBondContact O-N 2.86Å; E97-K100 PolarHBondContact O-N 3.06Å; E97-R101 VanDerWaalsContact O-CG 3.29Å; E97-R101 WeakPolarHBondContact O-CG 3.39Å; E97-R101 PolarHBondContact O-N 3.07Å; E97-R101 VanDerWaalsContact O-N 3.08Å
98A94.8Very high91.5Very high3 Ų355 Ų553%0.02529%0.287CS..Hα-helixtrans-61-48.3172.700000111.6I30 S34 L79 A94 S95 K100 R101 L102I30-A98 HydrophobicContact CG2-CB 3.74Å; S34-A98 VanDerWaalsContact OG-CB 3.24Å; S34-A98 WeakPolarHBondContact OG-CB 3.22Å; L79-A98 HydrophobicContact CB-CB 4.38Å; A94-A98 WeakPolarHBondContact O-CB 3.36Å; A94-A98 PolarHBondContact O-N 3.1Å; S95-A98 WeakPolarHBondContact O-CB 3.35Å; S95-A98 PolarHBondContact O-N 3.33Å; A98-K100 VanDerWaalsContact C-N 3.33Å; A98-K100 PolarHBondContact O-N 3.06Å; A98-R101 PolarHBondContact O-N 3.37Å; A98-L102 WeakPolarHBondContact O-CB 2.94Å; A98-L102 VanDerWaalsContact O-CG 3.24Å; A98-L102 WeakPolarHBondContact O-CG 3.35Å; A98-L102 PolarHBondContact O-N 3.42Å
99D88.8Confident91.4Very high38 Ų3852.9 Ų52.920%0.20327%0.271CS..Hα-helixtrans-59.7-42.4177.9-176.424.4000111.9R76 D80 Q83 S95 T96 R101 L102 S103R76-D99 IonicContact CZ-OD1 2.69Å; R76-D99 IonicContact NH2-OD1 3.01Å; R76-D99 PolarHBondContact NH2-OD1 3.43Å; D80-D99 HydrophobicContact CB-CB 3.83Å; Q83-D99 PolarHBondContact NE2-OD2 3.43Å; S95-D99 WeakPolarHBondContact O-CB 3.44Å; S95-D99 PolarHBondContact O-N 3.06Å; T96-D99 PolarHBondContact O-N 2.8Å; D99-R101 PolarHBondContact O-N 3.03Å; D99-L102 PolarHBondContact O-N 3.17Å; D99-S103 WeakPolarHBondContact O-CB 3.29Å; D99-S103 PolarHBondContact O-N 2.82Å; D99-S103 PolarHBondContact O-OG 3.47Å; D99-S103 PolarHBondContact OD1-OG 2.88Å
100K85.2Confident91.4Very high93 Ų9347.7 Ų47.740%0.40425%0.254SS..Hα-helixtrans-57.5-49.9173.6-178.2-177.4173.5-169.30111.8T96 E97 A98 S103 E104T96-K100 WeakPolarHBondContact O-CB 3.47Å; T96-K100 PolarHBondContact O-N 3.11Å; E97-K100 PolarHBondContact O-N 3.06Å; A98-K100 VanDerWaalsContact C-N 3.33Å; A98-K100 PolarHBondContact O-N 3.06Å; K100-S103 PolarHBondContact O-N 2.91Å; K100-E104 WeakPolarHBondContact O-CG 3.21Å; K100-E104 PolarHBondContact O-N 2.9Å
101R92.9Very high91.1Very high82 Ų8243.4 Ų43.431%0.30923%0.231SC..Hα-helixtrans-67-40.1-178.9-68.117666.4-151.7-4.1112.5D35 E97 A98 D99 E104 F105D35-R101 IonicContact OD1-CZ 2.7Å; D35-R101 IonicContact OD1-NH1 3.31Å; D35-R101 PolarHBondContact OD1-NH1 3.5Å; D35-R101 IonicContact OD1-NH2 3.36Å; D35-R101 PolarHBondContact OD1-NH2 2.74Å; E97-R101 VanDerWaalsContact O-CG 3.29Å; E97-R101 WeakPolarHBondContact O-CG 3.39Å; E97-R101 PolarHBondContact O-N 3.07Å; E97-R101 VanDerWaalsContact O-N 3.08Å; A98-R101 PolarHBondContact O-N 3.37Å; D99-R101 PolarHBondContact O-N 3.03Å; R101-E104 PolarHBondContact O-N 3.35Å; R101-F105 WeakPolarHBondContact O-CB 3.5Å; R101-F105 PolarHBondContact O-N 2.95Å
102L93.6Very high91Very high0 Ų044 Ų440%023%0.231CC..Hα-helixtrans-68.9-38177.1-68.9167.1000111.2L37 I38 Y72 R76 L79 A98 D99 F105 D106L37-L102 HydrophobicContact CD2-CD1 4.43Å; L37-L102 HydrophobicContact CD2-CD2 3.88Å; L37-L102 HydrophobicContact CG-CD2 4.35Å; I38-L102 HydrophobicContact CD1-CD2 4.25Å; I38-L102 HydrophobicContact CG1-CD2 3.82Å; Y72-L102 HydrophobicContact CE2-CD2 4.09Å; Y72-L102 PolarHBondContact OH-O 3.05Å; R76-L102 HydrophobicContact CG-CD1 4.13Å; L79-L102 HydrophobicContact CB-CD1 4.19Å; L79-L102 HydrophobicContact CD1-CD1 3.98Å; A98-L102 WeakPolarHBondContact O-CB 2.94Å; A98-L102 VanDerWaalsContact O-CG 3.24Å; A98-L102 WeakPolarHBondContact O-CG 3.35Å; A98-L102 PolarHBondContact O-N 3.42Å; D99-L102 PolarHBondContact O-N 3.17Å; L102-F105 CarbonylContact O-C 3.51Å; L102-F105 WeakPolarHBondContact O-CB 3.24Å; L102-F105 PolarHBondContact O-N 3.34Å; L102-D106 PolarHBondContact O-N 2.88Å
103S84.4Confident91.1Very high45 Ų4546.3 Ų46.332%0.31524%0.243SC..Hα-helixtrans-64.7-39.7172.8-64.50000112.4R76 D99 K100 F105 D106 V107R76-S103 PolarHBondContact NH2-OG 3.42Å; D99-S103 WeakPolarHBondContact O-CB 3.29Å; D99-S103 PolarHBondContact O-N 2.82Å; D99-S103 PolarHBondContact O-OG 3.47Å; D99-S103 PolarHBondContact OD1-OG 2.88Å; K100-S103 PolarHBondContact O-N 2.91Å; S103-F105 VanDerWaalsContact C-N 3.31Å; S103-D106 PolarHBondContact O-N 3.43Å; S103-V107 WeakPolarHBondContact O-CG2 3.47Å; S103-V107 PolarHBondContact O-N 2.76Å; S103-V107 VanDerWaalsContact O-N 3.13Å
104E85.2Confident91.6Very high105 Ų10545.9 Ų45.949%0.49123%0.233SC..Hα-helixtrans-61.9-40.7171.4-74.1178.1-172.900111.5K100 R101 V107 E108K100-E104 WeakPolarHBondContact O-CG 3.21Å; K100-E104 PolarHBondContact O-N 2.9Å; R101-E104 PolarHBondContact O-N 3.35Å; E104-V107 PolarHBondContact O-N 3.26Å; E104-E108 PolarHBondContact O-N 2.76Å
105F94.1Very high91.6Very high7 Ų745.7 Ų45.73%0.03123%0.231CC..Hα-helixtrans-66.1-41.5175.8175.7-109.9000112.8I38 T41 K42 Y72 R101 L102 S103 V107 E108 M109I38-F105 HydrophobicContact CB-CD2 4.5Å; I38-F105 HydrophobicContact CG1-CB 4.19Å; I38-F105 HydrophobicContact CG1-CD1 4.22Å; I38-F105 HydrophobicContact CG1-CD2 4.43Å; I38-F105 HydrophobicContact CG1-CG 4.02Å; I38-F105 HydrophobicContact CG2-CD2 3.78Å; I38-F105 HydrophobicContact CG2-CE2 3.99Å; I38-F105 HydrophobicContact CG2-CG 4.23Å; T41-F105 HydrophobicContact CG2-CE1 3.65Å; T41-F105 HydrophobicContact CG2-CZ 3.79Å; K42-F105 HydrophobicContact CB-CE2 3.93Å; K42-F105 HydrophobicContact CB-CZ 4.15Å; Y72-F105 AromaticContact CE2-CD1 4Å; Y72-F105 HydrophobicContact CE2-CD1 4Å; Y72-F105 AromaticContact CE2-CE1 3.98Å; Y72-F105 HydrophobicContact CE2-CE1 3.98Å; R101-F105 WeakPolarHBondContact O-CB 3.5Å; R101-F105 PolarHBondContact O-N 2.95Å; L102-F105 CarbonylContact O-C 3.51Å; L102-F105 WeakPolarHBondContact O-CB 3.24Å; L102-F105 PolarHBondContact O-N 3.34Å; S103-F105 VanDerWaalsContact C-N 3.31Å; F105-V107 VanDerWaalsContact C-N 3.27Å; F105-V107 PolarHBondContact O-N 2.85Å; F105-E108 WeakPolarHBondContact O-CA 3.33Å; F105-E108 WeakPolarHBondContact O-CB 3.19Å; F105-E108 PolarHBondContact O-N 2.88Å; F105-M109 HydrophobicContact CD1-CG 4.34Å; F105-M109 HydrophobicContact CD2-CE 4.09Å; F105-M109 HydrophobicContact CD2-CG 4.06Å; F105-M109 HydrophobicContact CE1-CG 3.83Å; F105-M109 HydrophobicContact CE2-CE 3.58Å; F105-M109 HydrophobicContact CE2-CG 3.51Å; F105-M109 HydrophobicContact CE2-SD 3.61Å; F105-M109 HydrophobicContact CG-CG 4.45Å; F105-M109 HydrophobicContact CZ-CE 4.33Å; F105-M109 HydrophobicContact CZ-CG 3.38Å; F105-M109 HydrophobicContact CZ-SD 3.73Å; F105-M109 WeakPolarHBondContact O-CG 3.42Å; F105-M109 PolarHBondContact O-N 3.41Å
106D91.5Very high91.8Very high50 Ų5046.5 Ų46.527%0.26723%0.234SC..Hα-helixtrans-56.7-43.6173.7-69.7-31.1000110.7Y72 R76 L102 S103 S110Y72-D106 WeakPolarHBondContact CE1-OD1 3.17Å; Y72-D106 VanDerWaalsContact OH-CG 3.23Å; Y72-D106 PolarHBondContact OH-OD1 2.8Å; Y72-D106 PolarHBondContact OH-OD2 2.88Å; R76-D106 IonicContact CZ-OD2 2.73Å; R76-D106 IonicContact NE-OD2 2.64Å; R76-D106 PolarHBondContact NE-OD2 3.43Å; R76-D106 VanDerWaalsContact NE-OD2 3.08Å; R76-D106 IonicContact NH2-OD2 3.27Å; L102-D106 PolarHBondContact O-N 2.88Å; S103-D106 PolarHBondContact O-N 3.43Å; D106-S110 VanDerWaalsContact O-CB 3.22Å; D106-S110 WeakPolarHBondContact O-CB 3.42Å; D106-S110 PolarHBondContact O-N 3.24Å; D106-S110 PolarHBondContact O-OG 2.64Å
107V85.9Confident92.3Very high54 Ų5446.8 Ų46.833%0.32723%0.233SC..Hα-helixtrans-63.7-44.6174.4174.40000111S103 E104 F105 S110 M111S103-V107 WeakPolarHBondContact O-CG2 3.47Å; S103-V107 PolarHBondContact O-N 2.76Å; S103-V107 VanDerWaalsContact O-N 3.13Å; E104-V107 PolarHBondContact O-N 3.26Å; F105-V107 VanDerWaalsContact C-N 3.27Å; F105-V107 PolarHBondContact O-N 2.85Å; V107-S110 PolarHBondContact O-N 2.99Å; V107-S110 PolarHBondContact O-OG 2.67Å; V107-M111 HydrophobicContact CG1-CG 4.38Å; V107-M111 WeakPolarHBondContact O-CB 3.28Å; V107-M111 WeakPolarHBondContact O-CG 3.31Å; V107-M111 PolarHBondContact O-N 3.11Å
108E91.4Very high92.7Very high83 Ų8344.1 Ų44.139%0.38822%0.219SC..Hα-helixtrans-57.3-52.6176.6-170.4-168.3138.700111.5K42 E104 F105 S110 M111K42-E108 IonicContact NZ-OE1 3.57Å; E104-E108 PolarHBondContact O-N 2.76Å; F105-E108 WeakPolarHBondContact O-CA 3.33Å; F105-E108 WeakPolarHBondContact O-CB 3.19Å; F105-E108 PolarHBondContact O-N 2.88Å; E108-S110 PolarHBondContact O-N 3.45Å; E108-M111 PolarHBondContact O-N 3.16Å; E108-M111 VanDerWaalsContact O-N 3.14Å
109M95.4Very high92.9Very high9 Ų944.5 Ų44.54%0.04422%0.22CC..Hα-helixtrans-64.5-40.4-178.1-65.5-54.294.600111.9K42 Y45 F105 M111 R112K42-M109 HydrophobicContact CG-CE 4.47Å; Y45-M109 HydrophobicContact CD1-CB 4.14Å; Y45-M109 HydrophobicContact CD1-CG 4.42Å; Y45-M109 HydrophobicContact CD1-SD 4.02Å; Y45-M109 HydrophobicContact CD2-CG 4.32Å; Y45-M109 HydrophobicContact CD2-SD 3.99Å; Y45-M109 HydrophobicContact CE1-CB 3.89Å; Y45-M109 HydrophobicContact CE1-CG 4.49Å; Y45-M109 HydrophobicContact CE2-CB 4.47Å; Y45-M109 HydrophobicContact CE2-CG 4.37Å; Y45-M109 HydrophobicContact CG-CG 4.35Å; Y45-M109 HydrophobicContact CG-SD 3.66Å; F105-M109 HydrophobicContact CD1-CG 4.34Å; F105-M109 HydrophobicContact CD2-CE 4.09Å; F105-M109 HydrophobicContact CD2-CG 4.06Å; F105-M109 HydrophobicContact CE1-CG 3.83Å; F105-M109 HydrophobicContact CE2-CE 3.58Å; F105-M109 HydrophobicContact CE2-CG 3.51Å; F105-M109 HydrophobicContact CE2-SD 3.61Å; F105-M109 HydrophobicContact CG-CG 4.45Å; F105-M109 HydrophobicContact CZ-CE 4.33Å; F105-M109 HydrophobicContact CZ-CG 3.38Å; F105-M109 HydrophobicContact CZ-SD 3.73Å; F105-M109 WeakPolarHBondContact O-CG 3.42Å; F105-M109 PolarHBondContact O-N 3.41Å; M109-M111 PolarHBondContact O-N 3.16Å; M109-R112 HydrophobicContact CE-CG 4.3Å; M109-R112 WeakPolarHBondContact O-CB 3.19Å; M109-R112 WeakPolarHBondContact O-CG 3.49Å; M109-R112 PolarHBondContact O-N 2.55Å; M109-R112 HydrophobicContact SD-CG 4.48Å
110S91.8Very high93.3Very high44 Ų4444.1 Ų44.131%0.30822%0.219SC..Hα-helixtrans-66.6-15.517777.90000114D106 V107 E108 N149D106-S110 VanDerWaalsContact O-CB 3.22Å; D106-S110 WeakPolarHBondContact O-CB 3.42Å; D106-S110 PolarHBondContact O-N 3.24Å; D106-S110 PolarHBondContact O-OG 2.64Å; V107-S110 PolarHBondContact O-N 2.99Å; V107-S110 PolarHBondContact O-OG 2.67Å; E108-S110 PolarHBondContact O-N 3.45Å; S110-N149 WeakPolarHBondContact CB-ND2 3.06Å; S110-N149 PolarHBondContact O-ND2 3.38Å; S110-N149 PolarHBondContact OG-ND2 2.72Å
111M90.1Very high93.9Very high23 Ų2340.5 Ų40.511%0.11321%0.207CC..THydrogen-bonded Turntrans-103.510.6179.4-65-68.3-54.500112.9V107 E108 M109 E113 N149 L151V107-M111 HydrophobicContact CG1-CG 4.38Å; V107-M111 WeakPolarHBondContact O-CB 3.28Å; V107-M111 WeakPolarHBondContact O-CG 3.31Å; V107-M111 PolarHBondContact O-N 3.11Å; E108-M111 PolarHBondContact O-N 3.16Å; E108-M111 VanDerWaalsContact O-N 3.14Å; M109-M111 PolarHBondContact O-N 3.16Å; M111-E113 PolarHBondContact O-N 2.79Å; M111-E113 VanDerWaalsContact O-N 3.1Å; M111-N149 WeakPolarHBondContact CE-O 3.35Å; M111-N149 HydrophobicContact SD-CB 3.65Å; M111-L151 HydrophobicContact CE-CD2 4.14Å; M111-L151 WeakPolarHBondContact O-CD2 3.47Å
112R95.1Very high94.2Very high31 Ų3136.8 Ų36.812%0.11719%0.193CC..  trans-74.295.8179.2-73.9-74.9-62.7-86.5-1.7111.5Y45 D46 M109 D114 V115 Y116Y45-R112 PolarHBondContact O-NH2 2.7Å; Y45-R112 VanDerWaalsContact O-NH2 3.16Å; D46-R112 IonicContact OD1-CZ 2.95Å; D46-R112 IonicContact OD1-NH1 3.23Å; D46-R112 PolarHBondContact OD1-NH1 3.28Å; D46-R112 IonicContact OD1-NH2 3.62Å; D46-R112 PolarHBondContact OD1-NH2 3.45Å; M109-R112 HydrophobicContact CE-CG 4.3Å; M109-R112 WeakPolarHBondContact O-CB 3.19Å; M109-R112 WeakPolarHBondContact O-CG 3.49Å; M109-R112 PolarHBondContact O-N 2.55Å; M109-R112 HydrophobicContact SD-CG 4.48Å; R112-D114 VanDerWaalsContact C-N 3.3Å; R112-D114 WeakPolarHBondContact CB-OD1 3.35Å; R112-D114 IonicContact CZ-OD1 3.56Å; R112-D114 IonicContact CZ-OD2 3.41Å; R112-D114 IonicContact NE-OD1 2.75Å; R112-D114 PolarHBondContact NE-OD1 3.08Å; R112-D114 IonicContact NE-OD2 3.32Å; R112-D114 PolarHBondContact NE-OD2 2.93Å; R112-D114 IonicContact NH2-OD1 3.54Å; R112-D114 IonicContact NH2-OD2 2.69Å; R112-D114 PolarHBondContact NH2-OD2 3.43Å; R112-D114 PolarHBondContact O-N 3.05Å; R112-V115 HydrophobicContact CB-CB 3.95Å; R112-V115 HydrophobicContact CB-CG2 3.91Å; R112-V115 PolarHBondContact O-N 3.38Å; R112-Y116 PolarHBondContact O-N 2.97Å
113E95.6Very high94.3Very high79 Ų7939.6 Ų39.637%0.36921%0.206SC..Hα-helixtrans-57.2-43.1176.6-177.4179.617200112.1M111 V115 Y116 L117M111-E113 PolarHBondContact O-N 2.79Å; M111-E113 VanDerWaalsContact O-N 3.1Å; E113-V115 VanDerWaalsContact C-N 3.34Å; E113-V115 PolarHBondContact O-N 2.91Å; E113-Y116 WeakPolarHBondContact O-CB 3.48Å; E113-Y116 PolarHBondContact O-N 3.19Å; E113-L117 HydrophobicContact CG-CD1 4.26Å; E113-L117 HydrophobicContact CG-CG 4.38Å; E113-L117 VanDerWaalsContact O-CG 3.32Å; E113-L117 WeakPolarHBondContact O-CG 3.48Å; E113-L117 PolarHBondContact O-N 3.09Å
114D97.8Very high94.9Very high50 Ų5044.1 Ų44.127%0.26722%0.22SC..Hα-helixtrans-58.7-42.5179.161.2-30.4000112.5R112 R118R112-D114 VanDerWaalsContact C-N 3.3Å; R112-D114 WeakPolarHBondContact CB-OD1 3.35Å; R112-D114 IonicContact CZ-OD1 3.56Å; R112-D114 IonicContact CZ-OD2 3.41Å; R112-D114 IonicContact NE-OD1 2.75Å; R112-D114 PolarHBondContact NE-OD1 3.08Å; R112-D114 IonicContact NE-OD2 3.32Å; R112-D114 PolarHBondContact NE-OD2 2.93Å; R112-D114 IonicContact NH2-OD1 3.54Å; R112-D114 IonicContact NH2-OD2 2.69Å; R112-D114 PolarHBondContact NH2-OD2 3.43Å; R112-D114 PolarHBondContact O-N 3.05Å; D114-R118 WeakPolarHBondContact O-CD 3.5Å; D114-R118 PolarHBondContact O-NH1 3.04Å
115V98.5Very high95.3Very high5 Ų543.3 Ų43.33%0.0322%0.215CC..Hα-helixtrans-69.1-44.4175176.20000111Y45 V48 L65 R112 E113 L117 R118 I119Y45-V115 HydrophobicContact CD1-CG1 4.25Å; Y45-V115 HydrophobicContact CD1-CG2 4.13Å; Y45-V115 WeakPolarHBondContact O-CG2 3.43Å; V48-V115 HydrophobicContact CG1-CG1 4.2Å; L65-V115 HydrophobicContact CD1-CG1 4.1Å; L65-V115 HydrophobicContact CD2-CG1 4.21Å; R112-V115 HydrophobicContact CB-CB 3.95Å; R112-V115 HydrophobicContact CB-CG2 3.91Å; R112-V115 PolarHBondContact O-N 3.38Å; E113-V115 VanDerWaalsContact C-N 3.34Å; E113-V115 PolarHBondContact O-N 2.91Å; V115-L117 VanDerWaalsContact C-N 3.3Å; V115-L117 PolarHBondContact O-N 3.47Å; V115-R118 PolarHBondContact O-N 2.99Å; V115-I119 HydrophobicContact CG1-CD1 4.16Å; V115-I119 PolarHBondContact O-N 3.2Å
116Y98.3Very high95.2Very high17 Ų1743.9 Ų43.97%0.06722%0.219CC..Hα-helixtrans-57.2-41.8177.5174.6-105.6000112.6R112 E113 R118 I119 V120 I143 R147 L151 H152R112-Y116 PolarHBondContact O-N 2.97Å; E113-Y116 WeakPolarHBondContact O-CB 3.48Å; E113-Y116 PolarHBondContact O-N 3.19Å; Y116-R118 VanDerWaalsContact C-N 3.26Å; Y116-R118 PolarHBondContact O-N 3.27Å; Y116-I119 PolarHBondContact O-N 2.75Å; Y116-I119 VanDerWaalsContact O-N 3.17Å; Y116-V120 HydrophobicContact CD1-CG2 4.28Å; Y116-V120 HydrophobicContact CD2-CG2 4.4Å; Y116-V120 HydrophobicContact CE1-CG2 3.83Å; Y116-V120 HydrophobicContact CE2-CG2 3.97Å; Y116-V120 WeakPolarHBondContact O-CG2 3.43Å; Y116-V120 PolarHBondContact O-N 2.87Å; Y116-I143 HydrophobicContact CE2-CG2 4.44Å; Y116-R147 VanDerWaalsContact OH-CG 3.32Å; Y116-R147 WeakPolarHBondContact OH-CG 3.28Å; Y116-L151 HydrophobicContact CD1-CB 3.63Å; Y116-L151 HydrophobicContact CD1-CD1 4.44Å; Y116-L151 HydrophobicContact CD2-CB 4.4Å; Y116-L151 HydrophobicContact CD2-CD1 4.2Å; Y116-L151 HydrophobicContact CE1-CB 4Å; Y116-L151 HydrophobicContact CG-CB 3.85Å; Y116-L151 HydrophobicContact CG-CD1 3.83Å; Y116-H152 HydrophobicContact CE1-CB 4.37Å
117L98Very high95.1Very high74 Ų7448 Ų4839%0.38724%0.237SC..Hα-helixtrans-59.9-34.8176.4-71.4173.4000112.7L53 E113 V115 V120 A121L53-L117 HydrophobicContact CD2-CB 4.35Å; E113-L117 HydrophobicContact CG-CD1 4.26Å; E113-L117 HydrophobicContact CG-CG 4.38Å; E113-L117 VanDerWaalsContact O-CG 3.32Å; E113-L117 WeakPolarHBondContact O-CG 3.48Å; E113-L117 PolarHBondContact O-N 3.09Å; V115-L117 VanDerWaalsContact C-N 3.3Å; V115-L117 PolarHBondContact O-N 3.47Å; L117-V120 PolarHBondContact O-N 3.34Å; L117-A121 WeakPolarHBondContact O-CB 3.1Å; L117-A121 PolarHBondContact O-N 3.03Å
118R98.6Very high95.1Very high35 Ų3549.9 Ų49.913%0.13227%0.267CS..Hα-helixtrans-71.5-37.5176.9-82.876.8-171.9169.4-1.1111.6V48 G49 L51 L53 V56 T61 D114 V115 Y116 A121 L122V48-R118 HydrophobicContact CG1-CB 4.46Å; G49-R118 PolarHBondContact O-NE 2.94Å; G49-R118 PolarHBondContact O-NH1 2.87Å; G49-R118 VanDerWaalsContact O-NH1 3.17Å; G49-R118 PolarHBondContact O-NH2 3.39Å; L51-R118 HydrophobicContact CB-CG 4.27Å; L51-R118 PolarHBondContact O-NE 2.95Å; L51-R118 PolarHBondContact O-NH2 3.48Å; L53-R118 HydrophobicContact CD2-CG 4.27Å; V56-R118 HydrophobicContact CG1-CB 3.83Å; V56-R118 HydrophobicContact CG1-CG 3.53Å; T61-R118 HydrophobicContact CG2-CB 4.19Å; D114-R118 WeakPolarHBondContact O-CD 3.5Å; D114-R118 PolarHBondContact O-NH1 3.04Å; V115-R118 PolarHBondContact O-N 2.99Å; Y116-R118 VanDerWaalsContact C-N 3.26Å; Y116-R118 PolarHBondContact O-N 3.27Å; R118-A121 PolarHBondContact O-N 3.26Å; R118-L122 WeakPolarHBondContact O-CB 3.37Å; R118-L122 PolarHBondContact O-N 2.65Å
119I98.3Very high95.1Very high10 Ų1049.1 Ų49.15%0.05127%0.268CS..Hα-helixtrans-65.1-42.7175.1-57.9165.4000110.2T61 L65 V115 Y116 L122 Q123 M139 L142 I143T61-I119 HydrophobicContact CG2-CG1 4.47Å; L65-I119 HydrophobicContact CD1-CD1 3.8Å; L65-I119 HydrophobicContact CD1-CG1 4.01Å; V115-I119 HydrophobicContact CG1-CD1 4.16Å; V115-I119 PolarHBondContact O-N 3.2Å; Y116-I119 PolarHBondContact O-N 2.75Å; Y116-I119 VanDerWaalsContact O-N 3.17Å; I119-L122 PolarHBondContact O-N 2.77Å; I119-Q123 PolarHBondContact O-N 3.41Å; I119-M139 HydrophobicContact CG2-CG 4.3Å; I119-L142 HydrophobicContact CD1-CB 4.16Å; I119-L142 HydrophobicContact CD1-CD1 4.11Å; I119-L142 HydrophobicContact CG2-CB 4.13Å; I119-I143 HydrophobicContact CG2-CD1 4.17Å; I119-I143 HydrophobicContact CG2-CG1 3.67Å
120V98.2Very high94.8Very high30 Ų3054.6 Ų54.618%0.18231%0.307CS..Hα-helixtrans-64.9-41.9175.6174.90000111.6Y116 L117 L122 Q123 K124Y116-V120 HydrophobicContact CD1-CG2 4.28Å; Y116-V120 HydrophobicContact CD2-CG2 4.4Å; Y116-V120 HydrophobicContact CE1-CG2 3.83Å; Y116-V120 HydrophobicContact CE2-CG2 3.97Å; Y116-V120 WeakPolarHBondContact O-CG2 3.43Å; Y116-V120 PolarHBondContact O-N 2.87Å; L117-V120 PolarHBondContact O-N 3.34Å; V120-L122 VanDerWaalsContact C-N 3.32Å; V120-L122 PolarHBondContact O-N 2.75Å; V120-Q123 PolarHBondContact O-N 2.94Å; V120-K124 PolarHBondContact O-N 3.33Å; V120-K124 VanDerWaalsContact O-N 3.17Å
121A98Very high94.9Very high18 Ų1854 Ų5415%0.14930%0.3CS..Hα-helixtrans-63.1-39.3175.100000111.8L53 V56 L117 R118 K124 K125L53-A121 HydrophobicContact CB-CB 4.33Å; L53-A121 HydrophobicContact CD2-CB 4.1Å; V56-A121 HydrophobicContact CG2-CB 4.09Å; L117-A121 WeakPolarHBondContact O-CB 3.1Å; L117-A121 PolarHBondContact O-N 3.03Å; R118-A121 PolarHBondContact O-N 3.26Å; A121-K124 PolarHBondContact O-N 3.06Å; A121-K125 PolarHBondContact O-N 3.45Å; A121-K125 VanDerWaalsContact O-N 3.08Å
122L97.7Very high95.1Very high3 Ų355.7 Ų55.72%0.01632%0.318CS..Hα-helixtrans-64.9-43176-179.264000111.9V56 T57 M58 T61 L62 R118 I119 V120 K124 K125 T126 M139V56-L122 HydrophobicContact CG2-CB 3.98Å; V56-L122 HydrophobicContact CG2-CD1 4.37Å; T57-L122 VanDerWaalsContact C-CD1 3.49Å; M58-L122 HydrophobicContact SD-CD1 4.24Å; M58-L122 HydrophobicContact SD-CD2 4.07Å; M58-L122 HydrophobicContact SD-CG 4.36Å; T61-L122 HydrophobicContact CG2-CD2 4.14Å; L62-L122 HydrophobicContact CB-CD2 3.79Å; R118-L122 WeakPolarHBondContact O-CB 3.37Å; R118-L122 PolarHBondContact O-N 2.65Å; I119-L122 PolarHBondContact O-N 2.77Å; V120-L122 VanDerWaalsContact C-N 3.32Å; V120-L122 PolarHBondContact O-N 2.75Å; L122-K124 VanDerWaalsContact C-N 3.34Å; L122-K124 PolarHBondContact O-N 3.46Å; L122-K125 PolarHBondContact O-N 3.11Å; L122-T126 HydrophobicContact CD1-CG2 4Å; L122-T126 HydrophobicContact CG-CG2 4.45Å; L122-T126 WeakPolarHBondContact O-CB 3.42Å; L122-T126 WeakPolarHBondContact O-CG2 3.36Å; L122-T126 PolarHBondContact O-N 3.44Å; L122-T126 PolarHBondContact O-OG1 3.35Å; L122-M139 HydrophobicContact CD2-SD 4.39Å; L122-M139 HydrophobicContact CG-SD 4.21Å
123Q97Very high95.1Very high60 Ų6059.5 Ų59.528%0.2835%0.347SS..Hα-helixtrans-55.9-50.3175-179.5-176.653.900110.7I119 V120 K125 T126 E127 M139 I143I119-Q123 PolarHBondContact O-N 3.41Å; V120-Q123 PolarHBondContact O-N 2.94Å; Q123-K125 VanDerWaalsContact C-N 3.32Å; Q123-K125 PolarHBondContact O-N 2.99Å; Q123-T126 CarbonylContact O-C 3.54Å; Q123-T126 PolarHBondContact O-N 2.98Å; Q123-T126 VanDerWaalsContact O-N 3.08Å; Q123-T126 PolarHBondContact O-OG1 3.48Å; Q123-T126 VanDerWaalsContact O-OG1 3.09Å; Q123-E127 PolarHBondContact O-N 3.47Å; Q123-M139 HydrophobicContact CB-CE 4.27Å; Q123-M139 HydrophobicContact CB-CG 4.5Å; Q123-M139 HydrophobicContact CB-SD 3.94Å; Q123-M139 HydrophobicContact CG-CE 4.27Å; Q123-I143 HydrophobicContact CB-CD1 3.64Å; Q123-I143 HydrophobicContact CG-CD1 3.95Å; Q123-I143 VanDerWaalsContact OE1-CD1 3.31Å
124K95.7Very high95.2Very high139 Ų13957 Ų5760%0.60434%0.335SS*.Hα-helixtrans-58.7-41.2178.6-70.1177.3179.2-179.40112.9V120 A121 L122 T126 E127V120-K124 PolarHBondContact O-N 3.33Å; V120-K124 VanDerWaalsContact O-N 3.17Å; A121-K124 PolarHBondContact O-N 3.06Å; L122-K124 VanDerWaalsContact C-N 3.34Å; L122-K124 PolarHBondContact O-N 3.46Å; K124-T126 VanDerWaalsContact C-N 3.27Å; K124-T126 PolarHBondContact O-N 2.77Å; K124-E127 WeakPolarHBondContact O-CB 3.39Å; K124-E127 PolarHBondContact O-N 2.71Å
125K94.7Very high95.2Very high88 Ų8854.9 Ų54.938%0.38333%0.325SS..Hα-helixtrans-69-25.1177.8-80.3178.6169.4174.60114L53 D54 V56 A121 L122 Q123L53-K125 PolarHBondContact O-NZ 3.5Å; D54-K125 VanDerWaalsContact CA-NZ 3.29Å; D54-K125 PolarHBondContact O-NZ 3.29Å; V56-K125 HydrophobicContact CG2-CD 3.85Å; V56-K125 PolarHBondContact O-NZ 3.43Å; V56-K125 VanDerWaalsContact O-NZ 3.12Å; A121-K125 PolarHBondContact O-N 3.45Å; A121-K125 VanDerWaalsContact O-N 3.08Å; L122-K125 PolarHBondContact O-N 3.11Å; Q123-K125 VanDerWaalsContact C-N 3.32Å; Q123-K125 PolarHBondContact O-N 2.99Å
126T92.6Very high95.1Very high20 Ų2059.8 Ų59.812%0.12334%0.343CS..Hα-helixtrans-99.43.3-179.253.90000112.3M58 L122 Q123 K124 G128 T129 M139M58-T126 HydrophobicContact CG-CG2 4.47Å; M58-T126 HydrophobicContact SD-CG2 4.02Å; L122-T126 HydrophobicContact CD1-CG2 4Å; L122-T126 HydrophobicContact CG-CG2 4.45Å; L122-T126 WeakPolarHBondContact O-CB 3.42Å; L122-T126 WeakPolarHBondContact O-CG2 3.36Å; L122-T126 PolarHBondContact O-N 3.44Å; L122-T126 PolarHBondContact O-OG1 3.35Å; Q123-T126 CarbonylContact O-C 3.54Å; Q123-T126 PolarHBondContact O-N 2.98Å; Q123-T126 VanDerWaalsContact O-N 3.08Å; Q123-T126 PolarHBondContact O-OG1 3.48Å; Q123-T126 VanDerWaalsContact O-OG1 3.09Å; K124-T126 VanDerWaalsContact C-N 3.27Å; K124-T126 PolarHBondContact O-N 2.77Å; T126-G128 PolarHBondContact O-N 3.36Å; T126-T129 PolarHBondContact O-N 3.11Å; T126-T129 VanDerWaalsContact O-N 3.09Å; T126-T129 PolarHBondContact O-OG1 3.49Å; T126-M139 WeakPolarHBondContact OG1-CE 3.32Å
127E89.7Confident95Very high136 Ų13660.9 Ų60.964%0.63635%0.347SS*.THydrogen-bonded Turntrans-58.2127.2170.6-78176.8-16200110.4Q123 K124 T129Q123-E127 PolarHBondContact O-N 3.47Å; K124-E127 WeakPolarHBondContact O-CB 3.39Å; K124-E127 PolarHBondContact O-N 2.71Å; E127-T129 VanDerWaalsContact C-N 3.26Å; E127-T129 PolarHBondContact O-N 2.93Å
128G85.4Confident95.1Very high94 Ų9457.5 Ų57.597%0.96933%0.329SS*.THydrogen-bonded Turntrans77.20.3-178.400000115.4T126T126-G128 PolarHBondContact O-N 3.36Å
129T90.6Very high95Very high66 Ų6656.2 Ų56.241%0.40532%0.324SS..  trans-91.7153.2173.373.50000111.7T126 E127T126-T129 PolarHBondContact O-N 3.11Å; T126-T129 VanDerWaalsContact O-N 3.09Å; T126-T129 PolarHBondContact O-OG1 3.49Å; E127-T129 VanDerWaalsContact C-N 3.26Å; E127-T129 PolarHBondContact O-N 2.93Å
130S90.1Very high95Very high124 Ų12460.4 Ų60.487%0.86734%0.344SS*.  trans-87.5115.5175-160.70000109.3
131I93.5Very high95Very high31 Ų3161.5 Ų61.516%0.15935%0.345CS..  trans-124.9157.7172.860.3173.1000108.7M58 R136 M139M58-I131 HydrophobicContact CE-CD1 4.48Å; M58-I131 HydrophobicContact CE-CG2 4.21Å; I131-R136 HydrophobicContact CD1-CB 3.73Å; I131-R136 HydrophobicContact CD1-CG 4.27Å; I131-R136 HydrophobicContact CG1-CB 4.01Å; I131-M139 HydrophobicContact CD1-CE 4.06Å
132A94.2Very high95Very high59 Ų5962 Ų6249%0.48835%0.345SS..  trans-55.7141.5178.100000111.1E134 A135 R136A132-E134 VanDerWaalsContact C-N 3.33Å; A132-E134 PolarHBondContact O-N 2.93Å; A132-A135 HydrophobicContact CB-CB 4.16Å; A132-A135 WeakPolarHBondContact O-CB 3.26Å; A132-A135 PolarHBondContact O-N 3.34Å; A132-A135 VanDerWaalsContact O-N 3.13Å; A132-R136 PolarHBondContact O-N 3.47Å
133P95.8Very high95.1Very high111 Ų11162.6 Ų62.672%0.72135%0.348SS*.Hα-helixtrans-54.7-44.1-176.7-28.135.4000113.9R136 R137P133-R136 WeakPolarHBondContact O-CB 3.48Å; P133-R136 PolarHBondContact O-N 3.34Å; P133-R137 PolarHBondContact O-N 2.71Å
134E97.1Very high95.1Very high26 Ų2663.2 Ų63.212%0.12135%0.35CS..Hα-helixtrans-69-36.2179.8-161.8-179.2150.600112.1A132 R136 R137 Y138 D483 Y484 F487A132-E134 VanDerWaalsContact C-N 3.33Å; A132-E134 PolarHBondContact O-N 2.93Å; E134-R136 VanDerWaalsContact C-N 3.32Å; E134-R136 PolarHBondContact O-N 2.94Å; E134-R137 PolarHBondContact O-N 3.21Å; E134-Y138 WeakPolarHBondContact O-CB 3.26Å; E134-Y138 PolarHBondContact O-N 3Å; E134-D483 VanDerWaalsContact CD-N 3.29Å; E134-D483 PolarHBondContact OE1-N 2.88Å; E134-D483 PolarHBondContact OE2-N 3.07Å; E134-Y484 HydrophobicContact CB-CD2 4.35Å; E134-Y484 HydrophobicContact CB-CE2 4.38Å; E134-Y484 HydrophobicContact CG-CD2 3.78Å; E134-Y484 HydrophobicContact CG-CE2 4.3Å; E134-Y484 PolarHBondContact OE1-N 3.41Å; E134-F487 HydrophobicContact CG-CD2 3.82Å; E134-F487 HydrophobicContact CG-CE2 4.23Å
135A96.8Very high95.2Very high6 Ų659.8 Ų59.85%0.0534%0.337CS..Hα-helixtrans-62.5-39.5174.100000112M58 A132 Y138 M139 Y484M58-A135 HydrophobicContact CE-CB 4.4Å; A132-A135 HydrophobicContact CB-CB 4.16Å; A132-A135 WeakPolarHBondContact O-CB 3.26Å; A132-A135 PolarHBondContact O-N 3.34Å; A132-A135 VanDerWaalsContact O-N 3.13Å; A135-Y138 PolarHBondContact O-N 3.42Å; A135-M139 PolarHBondContact O-N 2.94Å; A135-M139 VanDerWaalsContact O-N 3.08Å; A135-Y484 WeakPolarHBondContact CA-OH 3.32Å; A135-Y484 HydrophobicContact CB-CE2 4.11Å; A135-Y484 WeakPolarHBondContact CB-OH 3.48Å
136R96.4Very high95.3Very high108 Ų10855.8 Ų55.841%0.40832%0.321SS..Hα-helixtrans-61.7-49.5172.6-174.7-176.4-64.1150.51.2110.8I131 A132 P133 E134 Y138 M139 E140I131-R136 HydrophobicContact CD1-CB 3.73Å; I131-R136 HydrophobicContact CD1-CG 4.27Å; I131-R136 HydrophobicContact CG1-CB 4.01Å; A132-R136 PolarHBondContact O-N 3.47Å; P133-R136 WeakPolarHBondContact O-CB 3.48Å; P133-R136 PolarHBondContact O-N 3.34Å; E134-R136 VanDerWaalsContact C-N 3.32Å; E134-R136 PolarHBondContact O-N 2.94Å; R136-Y138 VanDerWaalsContact C-N 3.3Å; R136-Y138 PolarHBondContact O-N 3.46Å; R136-M139 PolarHBondContact O-N 3.38Å; R136-E140 HydrophobicContact CG-CG 4.42Å; R136-E140 WeakPolarHBondContact CG-OE1 3.46Å; R136-E140 WeakPolarHBondContact O-CG 3.49Å; R136-E140 PolarHBondContact O-N 3.08Å
137R97.4Very high95.6Very high41 Ų4160.8 Ų60.816%0.15534%0.338CS..Hα-helixtrans-59.4-40.5178.3-174.3-178.5176.877.5-11111.8P133 E134 E140 R141 F487 G646 S647 E648 D649P133-R137 PolarHBondContact O-N 2.71Å; E134-R137 PolarHBondContact O-N 3.21Å; R137-E140 PolarHBondContact O-N 3.43Å; R137-R141 VanDerWaalsContact O-CB 3.23Å; R137-R141 WeakPolarHBondContact O-CB 3.4Å; R137-R141 PolarHBondContact O-N 3Å; R137-F487 HydrophobicContact CB-CE2 4.2Å; R137-F487 HydrophobicContact CB-CZ 4.34Å; R137-F487 HydrophobicContact CG-CE1 4.43Å; R137-F487 HydrophobicContact CG-CE2 3.98Å; R137-F487 HydrophobicContact CG-CZ 3.71Å; R137-G646 PolarHBondContact NE-O 3.07Å; R137-G646 PolarHBondContact NH2-O 2.98Å; R137-S647 WeakPolarHBondContact CD-O 3.39Å; R137-S647 PolarHBondContact NE-O 3.28Å; R137-E648 PolarHBondContact NH2-O 3.4Å; R137-D649 IonicContact CZ-OD1 2.63Å; R137-D649 IonicContact NH1-OD1 2.67Å; R137-D649 PolarHBondContact NH1-OD1 3.21Å; R137-D649 IonicContact NH2-OD1 3.77Å; R137-D649 PolarHBondContact NH2-OD1 2.96Å
138Y98.4Very high95.9Very high3 Ų355.7 Ų55.71%0.01231%0.313CS..Hα-helixtrans-60.8-49.5176.3-176.7-115.1000111.2L62 A66 E69 E134 A135 R136 E140 R141 L142 Y484 M486 F487L62-Y138 HydrophobicContact CD1-CD1 3.52Å; L62-Y138 HydrophobicContact CD1-CE1 3.8Å; L62-Y138 HydrophobicContact CD2-CD1 4.27Å; L62-Y138 HydrophobicContact CG-CD1 3.77Å; L62-Y138 HydrophobicContact CG-CE1 4.09Å; A66-Y138 HydrophobicContact CB-CE1 3.92Å; E69-Y138 VanDerWaalsContact OE2-CE2 3.3Å; E69-Y138 WeakPolarHBondContact OE2-CE2 3.33Å; E69-Y138 PolarHBondContact OE2-OH 3.5Å; E134-Y138 WeakPolarHBondContact O-CB 3.26Å; E134-Y138 PolarHBondContact O-N 3Å; A135-Y138 PolarHBondContact O-N 3.42Å; R136-Y138 VanDerWaalsContact C-N 3.3Å; R136-Y138 PolarHBondContact O-N 3.46Å; Y138-E140 PolarHBondContact O-N 3.35Å; Y138-R141 PolarHBondContact O-N 3.38Å; Y138-L142 HydrophobicContact CD1-CD1 4Å; Y138-L142 HydrophobicContact CE1-CD1 3.55Å; Y138-L142 HydrophobicContact CE1-CG 4.29Å; Y138-L142 HydrophobicContact CE2-CD1 4.48Å; Y138-L142 HydrophobicContact CE2-CD2 4.43Å; Y138-L142 HydrophobicContact CE2-CG 4.39Å; Y138-L142 WeakPolarHBondContact O-CG 3.42Å; Y138-L142 PolarHBondContact O-N 2.92Å; Y138-Y484 AromaticContact CD1-CD1 3.53Å; Y138-Y484 HydrophobicContact CD1-CD1 3.53Å; Y138-Y484 AromaticContact CD1-CE1 3.46Å; Y138-Y484 HydrophobicContact CD1-CE1 3.46Å; Y138-Y484 VanDerWaalsContact CD1-CE1 3.46Å; Y138-Y484 HydrophobicContact CD1-CG 4.42Å; Y138-Y484 AromaticContact CD2-CD1 3.77Å; Y138-Y484 HydrophobicContact CD2-CD1 3.77Å; Y138-Y484 HydrophobicContact CD2-CG 4.06Å; Y138-Y484 AromaticContact CE1-CD1 3.87Å; Y138-Y484 HydrophobicContact CE1-CD1 3.87Å; Y138-Y484 AromaticContact CE1-CE1 3.96Å; Y138-Y484 HydrophobicContact CE1-CE1 3.96Å; Y138-Y484 HydrophobicContact CE2-CD1 4.07Å; Y138-Y484 AromaticContact CG-CD1 3.49Å; Y138-Y484 HydrophobicContact CG-CD1 3.49Å; Y138-Y484 VanDerWaalsContact CG-CD1 3.49Å; Y138-Y484 AromaticContact CG-CE1 3.79Å; Y138-Y484 HydrophobicContact CG-CE1 3.79Å; Y138-Y484 AromaticContact CG-CG 3.95Å; Y138-Y484 HydrophobicContact CG-CG 3.95Å; Y138-M486 HydrophobicContact CD2-CB 4.05Å; Y138-M486 HydrophobicContact CD2-CE 4.33Å; Y138-M486 HydrophobicContact CD2-CG 4.49Å; Y138-M486 HydrophobicContact CD2-SD 3.77Å; Y138-M486 HydrophobicContact CE2-CB 3.85Å; Y138-M486 HydrophobicContact CE2-CE 3.69Å; Y138-M486 HydrophobicContact CE2-CG 4.42Å; Y138-M486 HydrophobicContact CE2-SD 3.74Å; Y138-F487 HydrophobicContact CD2-CE2 4.28Å; Y138-F487 HydrophobicContact CD2-CZ 4.5Å
139M97.9Very high96.4Very high7 Ų752.4 Ų52.43%0.03427%0.273CS..Hα-helixtrans-61.1-45.4176.6-176.3172.560.400112.4L62 I119 L122 Q123 T126 I131 A135 R136 R141 L142 I143L62-M139 HydrophobicContact CD1-CB 3.95Å; L62-M139 HydrophobicContact CD1-CG 4.39Å; L62-M139 HydrophobicContact CD2-CB 4.33Å; I119-M139 HydrophobicContact CG2-CG 4.3Å; L122-M139 HydrophobicContact CD2-SD 4.39Å; L122-M139 HydrophobicContact CG-SD 4.21Å; Q123-M139 HydrophobicContact CB-CE 4.27Å; Q123-M139 HydrophobicContact CB-CG 4.5Å; Q123-M139 HydrophobicContact CB-SD 3.94Å; Q123-M139 HydrophobicContact CG-CE 4.27Å; T126-M139 WeakPolarHBondContact OG1-CE 3.32Å; I131-M139 HydrophobicContact CD1-CE 4.06Å; A135-M139 PolarHBondContact O-N 2.94Å; A135-M139 VanDerWaalsContact O-N 3.08Å; R136-M139 PolarHBondContact O-N 3.38Å; M139-R141 VanDerWaalsContact C-N 3.31Å; M139-R141 PolarHBondContact O-N 3.49Å; M139-L142 PolarHBondContact O-N 2.83Å; M139-I143 HydrophobicContact CG-CD1 4.19Å; M139-I143 WeakPolarHBondContact O-CG1 3.48Å; M139-I143 PolarHBondContact O-N 3.33Å
140E97.6Very high96.7Very high98 Ų9849.2 Ų49.246%0.45825%0.254SS..Hα-helixtrans-60.7-40.3175.7-73.1172.3-178.800111.8R136 R137 Y138 I143 K144R136-E140 HydrophobicContact CG-CG 4.42Å; R136-E140 WeakPolarHBondContact CG-OE1 3.46Å; R136-E140 WeakPolarHBondContact O-CG 3.49Å; R136-E140 PolarHBondContact O-N 3.08Å; R137-E140 PolarHBondContact O-N 3.43Å; Y138-E140 PolarHBondContact O-N 3.35Å; E140-I143 PolarHBondContact O-N 3.31Å; E140-K144 VanDerWaalsContact O-CB 3.31Å; E140-K144 WeakPolarHBondContact O-CB 3.35Å; E140-K144 PolarHBondContact O-N 2.93Å
141R98.4Very high97Very high54 Ų5443.7 Ų43.720%0.20421%0.214CC..Hα-helixtrans-65.4-45.2176.9-178.661.466.381.40.1111.6R137 Y138 M139 I143 K144 L145 M486 F487R137-R141 VanDerWaalsContact O-CB 3.23Å; R137-R141 WeakPolarHBondContact O-CB 3.4Å; R137-R141 PolarHBondContact O-N 3Å; Y138-R141 PolarHBondContact O-N 3.38Å; M139-R141 VanDerWaalsContact C-N 3.31Å; M139-R141 PolarHBondContact O-N 3.49Å; R141-I143 VanDerWaalsContact C-N 3.3Å; R141-I143 PolarHBondContact O-N 2.89Å; R141-K144 WeakPolarHBondContact O-CB 3.32Å; R141-K144 PolarHBondContact O-N 3.42Å; R141-L145 HydrophobicContact CG-CD1 3.95Å; R141-L145 HydrophobicContact CG-CG 4.36Å; R141-L145 WeakPolarHBondContact O-CB 3.46Å; R141-L145 VanDerWaalsContact O-CG 3.25Å; R141-L145 WeakPolarHBondContact O-CG 3.39Å; R141-L145 PolarHBondContact O-N 3.44Å; R141-M486 HydrophobicContact CB-SD 4.05Å; R141-M486 HydrophobicContact CG-SD 3.37Å; R141-M486 WeakPolarHBondContact CG-SD 3.35Å; R141-F487 HydrophobicContact CB-CE1 4.33Å; R141-F487 HydrophobicContact CB-CZ 4Å; R141-F487 HydrophobicContact CG-CE1 4.19Å; R141-F487 HydrophobicContact CG-CZ 4.33Å
142L98.4Very high97.1Very high28 Ų2845.7 Ų45.715%0.14722%0.223CC..Hα-helixtrans-58.5-43.2175.8-71.2176.9000111.7L62 L65 I119 Y138 M139 L145 G146 M486L62-L142 HydrophobicContact CD1-CD1 3.82Å; L65-L142 HydrophobicContact CD1-CD1 4.43Å; I119-L142 HydrophobicContact CD1-CB 4.16Å; I119-L142 HydrophobicContact CD1-CD1 4.11Å; I119-L142 HydrophobicContact CG2-CB 4.13Å; Y138-L142 HydrophobicContact CD1-CD1 4Å; Y138-L142 HydrophobicContact CE1-CD1 3.55Å; Y138-L142 HydrophobicContact CE1-CG 4.29Å; Y138-L142 HydrophobicContact CE2-CD1 4.48Å; Y138-L142 HydrophobicContact CE2-CD2 4.43Å; Y138-L142 HydrophobicContact CE2-CG 4.39Å; Y138-L142 WeakPolarHBondContact O-CG 3.42Å; Y138-L142 PolarHBondContact O-N 2.92Å; M139-L142 PolarHBondContact O-N 2.83Å; L142-L145 PolarHBondContact O-N 2.99Å; L142-G146 PolarHBondContact O-N 3.49Å; L142-M486 HydrophobicContact CD2-CE 3.8Å
143I98.4Very high97.2Very high16 Ų1644.8 Ų44.88%0.08221%0.21CC..Hα-helixtrans-65.5-45.8177.2-68.4168.1000110.8Y116 I119 Q123 M139 E140 R141 L145 G146 R147Y116-I143 HydrophobicContact CE2-CG2 4.44Å; I119-I143 HydrophobicContact CG2-CD1 4.17Å; I119-I143 HydrophobicContact CG2-CG1 3.67Å; Q123-I143 HydrophobicContact CB-CD1 3.64Å; Q123-I143 HydrophobicContact CG-CD1 3.95Å; Q123-I143 VanDerWaalsContact OE1-CD1 3.31Å; M139-I143 HydrophobicContact CG-CD1 4.19Å; M139-I143 WeakPolarHBondContact O-CG1 3.48Å; M139-I143 PolarHBondContact O-N 3.33Å; E140-I143 PolarHBondContact O-N 3.31Å; R141-I143 VanDerWaalsContact C-N 3.3Å; R141-I143 PolarHBondContact O-N 2.89Å; I143-L145 VanDerWaalsContact C-N 3.32Å; I143-L145 PolarHBondContact O-N 3.46Å; I143-G146 PolarHBondContact O-N 3.4Å; I143-R147 WeakPolarHBondContact O-CG 3.48Å; I143-R147 PolarHBondContact O-N 2.88Å
144K98.3Very high97.2Very high73 Ų7343.7 Ų43.732%0.31720%0.203SC..Hα-helixtrans-57.7-45.4176.7-173.863.9148.4-174.70111.3E140 R141 R147 R148 E277 M278E140-K144 VanDerWaalsContact O-CB 3.31Å; E140-K144 WeakPolarHBondContact O-CB 3.35Å; E140-K144 PolarHBondContact O-N 2.93Å; R141-K144 WeakPolarHBondContact O-CB 3.32Å; R141-K144 PolarHBondContact O-N 3.42Å; K144-R147 PolarHBondContact O-N 3.47Å; K144-R148 WeakPolarHBondContact O-CB 3.31Å; K144-R148 WeakPolarHBondContact O-CG 3.48Å; K144-R148 PolarHBondContact O-N 3.1Å; K144-E277 WeakPolarHBondContact CE-OE1 3.29Å; K144-E277 WeakPolarHBondContact CE-OE2 3.36Å; K144-E277 IonicContact NZ-OE1 3.44Å; K144-E277 PolarHBondContact NZ-OE1 2.83Å; K144-E277 IonicContact NZ-OE2 3.81Å; K144-E277 PolarHBondContact NZ-OE2 3.26Å; K144-M278 HydrophobicContact CG-CE 4.46Å; K144-M278 HydrophobicContact CG-SD 3.84Å
145L97.6Very high96.9Very high66 Ų6646.3 Ų46.335%0.34622%0.22SC..Hα-helixtrans-63.4-43.6177.3-69.5169.3000111.5R141 L142 I143 R147 R148 N149 M486R141-L145 HydrophobicContact CG-CD1 3.95Å; R141-L145 HydrophobicContact CG-CG 4.36Å; R141-L145 WeakPolarHBondContact O-CB 3.46Å; R141-L145 VanDerWaalsContact O-CG 3.25Å; R141-L145 WeakPolarHBondContact O-CG 3.39Å; R141-L145 PolarHBondContact O-N 3.44Å; L142-L145 PolarHBondContact O-N 2.99Å; I143-L145 VanDerWaalsContact C-N 3.32Å; I143-L145 PolarHBondContact O-N 3.46Å; L145-R147 VanDerWaalsContact C-N 3.33Å; L145-R147 PolarHBondContact O-N 2.91Å; L145-R148 CarbonylContact O-C 3.55Å; L145-R148 PolarHBondContact O-N 3.49Å; L145-N149 WeakPolarHBondContact O-CB 3.42Å; L145-N149 PolarHBondContact O-N 3.14Å; L145-M486 HydrophobicContact CD1-CE 4.15Å; L145-M486 HydrophobicContact CD1-SD 4.42Å
146G97.7Very high96.7Very high5 Ų553.7 Ų53.75%0.05225%0.254CS..Hα-helixtrans-59.8-41.4173.800000112.8L142 I143 N149 G150 L151L142-G146 PolarHBondContact O-N 3.49Å; I143-G146 PolarHBondContact O-N 3.4Å; G146-N149 CarbonylContact O-C 3.55Å; G146-N149 PolarHBondContact O-N 3.06Å; G146-G150 PolarHBondContact O-N 2.91Å; G146-L151 WeakPolarHBondContact O-CB 3.17Å; G146-L151 WeakPolarHBondContact O-CG 3.34Å; G146-L151 PolarHBondContact O-N 3.42Å
147R97.8Very high96.7Very high124 Ų12450.1 Ų50.147%0.46824%0.244SC..Hα-helixtrans-64.1-43.6174.2-69.2-176.471.289.66.2112.5Y116 I143 K144 L145 N149 G150 H152Y116-R147 VanDerWaalsContact OH-CG 3.32Å; Y116-R147 WeakPolarHBondContact OH-CG 3.28Å; I143-R147 WeakPolarHBondContact O-CG 3.48Å; I143-R147 PolarHBondContact O-N 2.88Å; K144-R147 PolarHBondContact O-N 3.47Å; L145-R147 VanDerWaalsContact C-N 3.33Å; L145-R147 PolarHBondContact O-N 2.91Å; R147-N149 PolarHBondContact O-N 3.49Å; R147-G150 WeakPolarHBondContact O-CA 3.44Å; R147-G150 PolarHBondContact O-N 3.01Å; R147-H152 WeakPolarHBondContact CA-ND1 3.41Å; R147-H152 PolarHBondContact NH2-NE2 2.97Å; R147-H152 PolarHBondContact O-CE1 3.22Å; R147-H152 PolarHBondContact O-ND1 3.28Å
148R96.7Very high96.3Very high30 Ų3048.9 Ų48.911%0.11324%0.24CC..Hα-helixtrans-67.4-18.5176.7-69.6172.364.771.12.2113.3K144 L145 L266 F274 E277 M278K144-R148 WeakPolarHBondContact O-CB 3.31Å; K144-R148 WeakPolarHBondContact O-CG 3.48Å; K144-R148 PolarHBondContact O-N 3.1Å; L145-R148 CarbonylContact O-C 3.55Å; L145-R148 PolarHBondContact O-N 3.49Å; R148-L266 VanDerWaalsContact O-CD1 3.26Å; R148-L266 WeakPolarHBondContact O-CD1 3.34Å; R148-L266 WeakPolarHBondContact O-CD2 3.25Å; R148-F274 HydrophobicContact CB-CE2 4Å; R148-F274 HydrophobicContact CB-CZ 4.44Å; R148-F274 HydrophobicContact CG-CE2 4.26Å; R148-F274 VanDerWaalsContact CZ-O 3.23Å; R148-F274 PolarHBondContact NH1-O 3.16Å; R148-F274 PolarHBondContact NH2-O 3.48Å; R148-E277 IonicContact CZ-OE2 2.66Å; R148-E277 IonicContact NH1-OE2 2.66Å; R148-E277 PolarHBondContact NH1-OE2 2.81Å; R148-M278 VanDerWaalsContact CZ-CG 3.43Å
149N94.9Very high95.9Very high24 Ų2454.9 Ų54.913%0.12827%0.268CS..THydrogen-bonded Turntrans-89.1-5168.9-83.4-20.1000113.5S110 M111 L145 G146 R147 L151 K165S110-N149 WeakPolarHBondContact CB-ND2 3.06Å; S110-N149 PolarHBondContact O-ND2 3.38Å; S110-N149 PolarHBondContact OG-ND2 2.72Å; M111-N149 WeakPolarHBondContact CE-O 3.35Å; M111-N149 HydrophobicContact SD-CB 3.65Å; L145-N149 WeakPolarHBondContact O-CB 3.42Å; L145-N149 PolarHBondContact O-N 3.14Å; G146-N149 CarbonylContact O-C 3.55Å; G146-N149 PolarHBondContact O-N 3.06Å; R147-N149 PolarHBondContact O-N 3.49Å; N149-L151 HydrophobicContact CB-CG 4.24Å; N149-K165 PolarHBondContact OD1-NZ 3.33Å
150G96.6Very high95.7Very high0 Ų058.2 Ų58.20%028%0.284CS..THydrogen-bonded Turntrans81.913.1178.600000114.5G146 R147 H152 L153 Q158G146-G150 PolarHBondContact O-N 2.91Å; R147-G150 WeakPolarHBondContact O-CA 3.44Å; R147-G150 PolarHBondContact O-N 3.01Å; G150-H152 PolarHBondContact O-N 2.87Å; G150-L153 WeakPolarHBondContact O-CB 3.22Å; G150-L153 WeakPolarHBondContact O-CG 3.41Å; G150-L153 PolarHBondContact O-N 2.91Å; G150-Q158 VanDerWaalsContact O-CG 3.26Å; G150-Q158 WeakPolarHBondContact O-CG 3.38Å
151L96.4Very high95.5Very high7 Ų753.6 Ų53.64%0.03726%0.262CS..THydrogen-bonded Turntrans-65.9-7.1-175.3-61.6-175.2000115.3M111 Y116 G146 N149M111-L151 HydrophobicContact CE-CD2 4.14Å; M111-L151 WeakPolarHBondContact O-CD2 3.47Å; Y116-L151 HydrophobicContact CD1-CB 3.63Å; Y116-L151 HydrophobicContact CD1-CD1 4.44Å; Y116-L151 HydrophobicContact CD2-CB 4.4Å; Y116-L151 HydrophobicContact CD2-CD1 4.2Å; Y116-L151 HydrophobicContact CE1-CB 4Å; Y116-L151 HydrophobicContact CG-CB 3.85Å; Y116-L151 HydrophobicContact CG-CD1 3.83Å; G146-L151 WeakPolarHBondContact O-CB 3.17Å; G146-L151 WeakPolarHBondContact O-CG 3.34Å; G146-L151 PolarHBondContact O-N 3.42Å; N149-L151 HydrophobicContact CB-CG 4.24Å
152H95.8Very high95Very high74 Ų7456.3 Ų56.334%0.34328%0.275SS..THydrogen-bonded Turntrans-98.8-2.8174.366.7-67.9000112.7Y116 R147 G150Y116-H152 HydrophobicContact CE1-CB 4.37Å; R147-H152 WeakPolarHBondContact CA-ND1 3.41Å; R147-H152 PolarHBondContact NH2-NE2 2.97Å; R147-H152 PolarHBondContact O-CE1 3.22Å; R147-H152 PolarHBondContact O-ND1 3.28Å; G150-H152 PolarHBondContact O-N 2.87Å
153L96.3Very high94.6Very high40 Ų4057.9 Ų57.921%0.20929%0.289CS..SBendtrans-94.6164-178.2-57.3174.9000110.4G150 T157 Q158 I161 L265 L266G150-L153 WeakPolarHBondContact O-CB 3.22Å; G150-L153 WeakPolarHBondContact O-CG 3.41Å; G150-L153 PolarHBondContact O-N 2.91Å; L153-T157 HydrophobicContact CB-CG2 4.24Å; L153-T157 HydrophobicContact CD1-CG2 3.84Å; L153-Q158 PolarHBondContact O-NE2 3.42Å; L153-I161 HydrophobicContact CD1-CD1 3.96Å; L153-L265 WeakPolarHBondContact CD1-O 3.48Å; L153-L266 HydrophobicContact CD1-CD2 4.3Å
154P95.6Very high94.4Very high88 Ų8857.5 Ų57.557%0.57129%0.287SS*.  trans-55.2147.9174.3-25.435.7000112.9E156 T157 Q158P154-E156 PolarHBondContact O-N 3.27Å; P154-E156 VanDerWaalsContact O-N 3.15Å; P154-T157 WeakPolarHBondContact O-CB 3.37Å; P154-T157 PolarHBondContact O-N 3.03Å; P154-Q158 PolarHBondContact O-N 3.11Å
155T91.2Very high93.9Very high81 Ų8155.8 Ų55.850%0.49728%0.28SS..Hα-helixtrans-54.7-36.4-176.5-50.60000113.3Q158 Q159T155-Q158 WeakPolarHBondContact O-CB 3.27Å; T155-Q158 PolarHBondContact O-N 3.41Å; T155-Q159 WeakPolarHBondContact O-CG 3.48Å; T155-Q159 PolarHBondContact O-N 3.33Å
156E93.7Very high93.3Very high160 Ų16059.2 Ų59.275%0.74829%0.291SS*.Hα-helixtrans-61.7-47.1177.2-171.9175.3-171.200111.7P154 Q158 Q159 E160P154-E156 PolarHBondContact O-N 3.27Å; P154-E156 VanDerWaalsContact O-N 3.15Å; E156-Q158 VanDerWaalsContact C-N 3.33Å; E156-Q158 PolarHBondContact O-N 2.79Å; E156-Q159 PolarHBondContact O-N 3.48Å; E156-E160 PolarHBondContact O-N 3.11Å
157T94.9Very high93Very high34 Ų3464 Ų6421%0.20931%0.311CS..Hα-helixtrans-62.5-39.7174.9-51.50000111.6L153 P154 Q159 E160 I161 L265L153-T157 HydrophobicContact CB-CG2 4.24Å; L153-T157 HydrophobicContact CD1-CG2 3.84Å; P154-T157 WeakPolarHBondContact O-CB 3.37Å; P154-T157 PolarHBondContact O-N 3.03Å; T157-Q159 PolarHBondContact O-N 2.98Å; T157-E160 PolarHBondContact O-N 3.43Å; T157-I161 HydrophobicContact CG2-CD1 3.92Å; T157-I161 VanDerWaalsContact O-CG1 3.28Å; T157-I161 WeakPolarHBondContact O-CG1 3.37Å; T157-I161 PolarHBondContact O-N 3.15Å; T157-L265 HydrophobicContact CG2-CB 4.25Å; T157-L265 HydrophobicContact CG2-CD2 4.25Å
158Q90.3Very high92.8Very high15 Ų1559.1 Ų59.17%0.0729%0.294CS..Hα-helixtrans-62.1-42.1175.8-65.9-173.64300112.2G150 L153 P154 T155 E156 I161 K162G150-Q158 VanDerWaalsContact O-CG 3.26Å; G150-Q158 WeakPolarHBondContact O-CG 3.38Å; L153-Q158 PolarHBondContact O-NE2 3.42Å; P154-Q158 PolarHBondContact O-N 3.11Å; T155-Q158 WeakPolarHBondContact O-CB 3.27Å; T155-Q158 PolarHBondContact O-N 3.41Å; E156-Q158 VanDerWaalsContact C-N 3.33Å; E156-Q158 PolarHBondContact O-N 2.79Å; Q158-I161 PolarHBondContact O-N 3.39Å; Q158-K162 WeakPolarHBondContact O-CB 3.44Å; Q158-K162 PolarHBondContact O-N 2.94Å
159Q89.8Confident92.3Very high128 Ų12860.6 Ų60.660%0.59831%0.309SS*.Hα-helixtrans-65.3-40.3177.6-731780.300111.9T155 E156 T157 K162 S163T155-Q159 WeakPolarHBondContact O-CG 3.48Å; T155-Q159 PolarHBondContact O-N 3.33Å; E156-Q159 PolarHBondContact O-N 3.48Å; T157-Q159 PolarHBondContact O-N 2.98Å; Q159-K162 PolarHBondContact O-N 2.77Å; Q159-S163 PolarHBondContact O-N 2.99Å
160E94.8Very high91.8Very high78 Ų7862.7 Ų62.736%0.36432%0.32SS..Hα-helixtrans-62.5-49.5174.6-169.2-179.6173.800111.2E156 T157 K162 S163 I164 Q261 L265E156-E160 PolarHBondContact O-N 3.11Å; T157-E160 PolarHBondContact O-N 3.43Å; E160-K162 VanDerWaalsContact C-N 3.29Å; E160-K162 PolarHBondContact O-N 2.72Å; E160-S163 WeakPolarHBondContact O-CB 3.41Å; E160-S163 PolarHBondContact O-N 3.38Å; E160-I164 HydrophobicContact CG-CD1 4.08Å; E160-I164 WeakPolarHBondContact O-CG1 3.43Å; E160-I164 PolarHBondContact O-N 3.29Å; E160-Q261 PolarHBondContact OE1-NE2 2.87Å; E160-L265 HydrophobicContact CB-CD1 4.3Å; E160-L265 HydrophobicContact CG-CD1 3.83Å
161I92.7Very high91.6Very high0 Ų064.4 Ų64.40%033%0.329CS..Hα-helixtrans-56.8-43.7175.9-70164.7000110.9L153 T157 Q158 I164 K165 L265 L266L153-I161 HydrophobicContact CD1-CD1 3.96Å; T157-I161 HydrophobicContact CG2-CD1 3.92Å; T157-I161 VanDerWaalsContact O-CG1 3.28Å; T157-I161 WeakPolarHBondContact O-CG1 3.37Å; T157-I161 PolarHBondContact O-N 3.15Å; Q158-I161 PolarHBondContact O-N 3.39Å; I161-I164 PolarHBondContact O-N 3.32Å; I161-K165 HydrophobicContact CG2-CD 3.97Å; I161-K165 HydrophobicContact CG2-CG 4.31Å; I161-K165 WeakPolarHBondContact O-CB 3.5Å; I161-K165 WeakPolarHBondContact O-CG 3.36Å; I161-K165 PolarHBondContact O-N 2.99Å; I161-L265 HydrophobicContact CD1-CB 4.1Å; I161-L265 HydrophobicContact CG1-CB 3.91Å; I161-L265 HydrophobicContact CG1-CD1 3.96Å; I161-L266 HydrophobicContact CD1-CD2 3.69Å; I161-L266 HydrophobicContact CD1-CG 3.98Å
162K86.7Confident91.3Very high111 Ų11165.1 Ų65.148%0.48333%0.334SS..Hα-helixtrans-60.8-45.9178.1-176.9176.8-179.7174.50111.8Q158 Q159 E160 K165 K166Q158-K162 WeakPolarHBondContact O-CB 3.44Å; Q158-K162 PolarHBondContact O-N 2.94Å; Q159-K162 PolarHBondContact O-N 2.77Å; E160-K162 VanDerWaalsContact C-N 3.29Å; E160-K162 PolarHBondContact O-N 2.72Å; K162-K165 PolarHBondContact O-N 2.79Å; K162-K166 PolarHBondContact O-N 3.08Å; K162-K166 VanDerWaalsContact O-N 3.08Å
163S90.1Very high90.6Very high62 Ų6265.6 Ų65.643%0.43434%0.339SS..Hα-helixtrans-60.6-44.6177.1-175.60000111.6Q159 E160 K166 K167Q159-S163 PolarHBondContact O-N 2.99Å; E160-S163 WeakPolarHBondContact O-CB 3.41Å; E160-S163 PolarHBondContact O-N 3.38Å; S163-K166 PolarHBondContact O-N 3.4Å; S163-K167 PolarHBondContact O-N 3.21Å
164I94.1Very high90.1Very high7 Ų766.5 Ų66.54%0.03634%0.344CS..Hα-helixtrans-63.7-47.9177.3-65.6166.6000111.2E160 I161 K166 K167 L168 L258 Q261 K262 L265E160-I164 HydrophobicContact CG-CD1 4.08Å; E160-I164 WeakPolarHBondContact O-CG1 3.43Å; E160-I164 PolarHBondContact O-N 3.29Å; I161-I164 PolarHBondContact O-N 3.32Å; I164-K166 VanDerWaalsContact C-N 3.29Å; I164-K166 PolarHBondContact O-N 2.99Å; I164-K167 PolarHBondContact O-N 2.73Å; I164-K167 VanDerWaalsContact O-N 3.15Å; I164-L168 HydrophobicContact CG2-CD1 3.87Å; I164-L168 HydrophobicContact CG2-CG 4.14Å; I164-L168 WeakPolarHBondContact O-CG 3.48Å; I164-L168 PolarHBondContact O-N 2.94Å; I164-L258 HydrophobicContact CG1-CD2 4.33Å; I164-L258 HydrophobicContact CG2-CB 3.97Å; I164-L258 HydrophobicContact CG2-CD2 4.15Å; I164-Q261 HydrophobicContact CD1-CB 4.38Å; I164-Q261 HydrophobicContact CD1-CG 3.79Å; I164-K262 HydrophobicContact CG2-CB 3.89Å; I164-L265 HydrophobicContact CD1-CD1 3.73Å
165K89.1Confident89.9Confident38 Ų3862.3 Ų62.317%0.16532%0.317CS..Hα-helixtrans-56.6-42.1178.1-76.7178.267.1-179.50112N149 I161 K162 L168 S169 K262N149-K165 PolarHBondContact OD1-NZ 3.33Å; I161-K165 HydrophobicContact CG2-CD 3.97Å; I161-K165 HydrophobicContact CG2-CG 4.31Å; I161-K165 WeakPolarHBondContact O-CB 3.5Å; I161-K165 WeakPolarHBondContact O-CG 3.36Å; I161-K165 PolarHBondContact O-N 2.99Å; K162-K165 PolarHBondContact O-N 2.79Å; K165-L168 PolarHBondContact O-N 3.15Å; K165-S169 PolarHBondContact O-N 3.4Å; K165-K262 HydrophobicContact CG-CD 3.95Å
166K84.6Confident89.5Confident137 Ų13760.5 Ų60.560%0.59630%0.304SS*.Hα-helixtrans-61.9-45177-174.1174.4-177.5173.10111.9K162 S163 I164 S169 N170K162-K166 PolarHBondContact O-N 3.08Å; K162-K166 VanDerWaalsContact O-N 3.08Å; S163-K166 PolarHBondContact O-N 3.4Å; I164-K166 VanDerWaalsContact C-N 3.29Å; I164-K166 PolarHBondContact O-N 2.99Å; K166-S169 PolarHBondContact O-N 2.92Å; K166-N170 PolarHBondContact O-N 3.49Å; K166-N170 VanDerWaalsContact O-N 3.14Å
167K91.5Very high88.9Confident107 Ų10756.6 Ų56.647%0.46528%0.284SS..Hα-helixtrans-62.9-46.1176.1-69.5179.8-177.7-177.70111.8S163 I164 S169 N170 L171 L258S163-K167 PolarHBondContact O-N 3.21Å; I164-K167 PolarHBondContact O-N 2.73Å; I164-K167 VanDerWaalsContact O-N 3.15Å; K167-S169 VanDerWaalsContact C-N 3.32Å; K167-S169 PolarHBondContact O-N 2.9Å; K167-N170 PolarHBondContact O-N 3.03Å; K167-L171 WeakPolarHBondContact O-CB 3.48Å; K167-L171 VanDerWaalsContact O-CG 3.26Å; K167-L171 WeakPolarHBondContact O-CG 3.45Å; K167-L171 PolarHBondContact O-N 3.22Å; K167-L258 HydrophobicContact CB-CD1 3.83Å; K167-L258 HydrophobicContact CD-CD1 4.38Å
168L93.8Very high88.4Confident21 Ų2156.8 Ų56.811%0.1128%0.284CS..Hα-helixtrans-55.6-47176-72.9174000111.3I164 K165 N170 L171 S172 L255 L258 R259 K262I164-L168 HydrophobicContact CG2-CD1 3.87Å; I164-L168 HydrophobicContact CG2-CG 4.14Å; I164-L168 WeakPolarHBondContact O-CG 3.48Å; I164-L168 PolarHBondContact O-N 2.94Å; K165-L168 PolarHBondContact O-N 3.15Å; L168-N170 PolarHBondContact O-N 3.34Å; L168-L171 PolarHBondContact O-N 3.13Å; L168-S172 WeakPolarHBondContact O-CB 3.1Å; L168-S172 PolarHBondContact O-N 2.91Å; L168-S172 PolarHBondContact O-OG 2.72Å; L168-L255 HydrophobicContact CD2-CD2 3.67Å; L168-L258 HydrophobicContact CD2-CB 3.52Å; L168-L258 HydrophobicContact CD2-CD1 4.24Å; L168-L258 HydrophobicContact CG-CB 4.03Å; L168-L258 HydrophobicContact CG-CD1 4.49Å; L168-R259 HydrophobicContact CD1-CG 4.32Å; L168-R259 HydrophobicContact CD2-CG 3.95Å; L168-K262 HydrophobicContact CD1-CD 3.92Å
169S85.6Confident88.1Confident60 Ų6056.9 Ų56.942%0.4229%0.285SS..Hα-helixtrans-58.3-48.9178.3-167.30000112.3K165 K166 K167 S172 I173K165-S169 PolarHBondContact O-N 3.4Å; K166-S169 PolarHBondContact O-N 2.92Å; K167-S169 VanDerWaalsContact C-N 3.32Å; K167-S169 PolarHBondContact O-N 2.9Å; S169-S172 PolarHBondContact O-N 3.39Å; S169-I173 WeakPolarHBondContact O-CG1 3.49Å; S169-I173 PolarHBondContact O-N 3.29Å
170N84.1Confident87.4Confident69 Ų6956.3 Ų56.337%0.36929%0.286SS..Hα-helixtrans-63.6-44.9179.7-70.6-9.3000111.8K166 K167 L168 S172 I173 D174K166-N170 PolarHBondContact O-N 3.49Å; K166-N170 VanDerWaalsContact O-N 3.14Å; K167-N170 PolarHBondContact O-N 3.03Å; L168-N170 PolarHBondContact O-N 3.34Å; N170-S172 VanDerWaalsContact C-N 3.33Å; N170-S172 PolarHBondContact O-N 3.09Å; N170-I173 PolarHBondContact O-N 3.31Å; N170-D174 PolarHBondContact O-N 3.36Å
171L93.1Very high86.7Confident35 Ų3558.9 Ų58.918%0.18330%0.298CS..Hα-helixtrans-60.5-41.8177.7-73.9170.6000111.8K167 L168 D174 F175 I251 E254 L255 L258K167-L171 WeakPolarHBondContact O-CB 3.48Å; K167-L171 VanDerWaalsContact O-CG 3.26Å; K167-L171 WeakPolarHBondContact O-CG 3.45Å; K167-L171 PolarHBondContact O-N 3.22Å; L168-L171 PolarHBondContact O-N 3.13Å; L171-D174 PolarHBondContact O-N 3.26Å; L171-F175 WeakPolarHBondContact O-CB 3.33Å; L171-F175 PolarHBondContact O-N 3Å; L171-I251 HydrophobicContact CB-CG2 4.02Å; L171-I251 HydrophobicContact CD2-CB 4.42Å; L171-I251 HydrophobicContact CD2-CG1 4.13Å; L171-I251 HydrophobicContact CD2-CG2 4.06Å; L171-I251 WeakPolarHBondContact O-CG2 3.29Å; L171-E254 HydrophobicContact CD1-CB 4.14Å; L171-E254 HydrophobicContact CD1-CG 3.75Å; L171-L255 HydrophobicContact CB-CD2 3.57Å; L171-L255 HydrophobicContact CB-CG 3.94Å; L171-L255 HydrophobicContact CD1-CD2 4.16Å; L171-L255 HydrophobicContact CD1-CG 4.37Å; L171-L258 HydrophobicContact CD1-CD1 3.83Å
172S90.4Very high86.3Confident22 Ų2259.9 Ų59.915%0.15430%0.303CS..Hα-helixtrans-65.3-40176-71.70000112.8L168 S169 N170 N176 A598L168-S172 WeakPolarHBondContact O-CB 3.1Å; L168-S172 PolarHBondContact O-N 2.91Å; L168-S172 PolarHBondContact O-OG 2.72Å; S169-S172 PolarHBondContact O-N 3.39Å; N170-S172 VanDerWaalsContact C-N 3.33Å; N170-S172 PolarHBondContact O-N 3.09Å; S172-N176 PolarHBondContact O-N 3.12Å; S172-N176 PolarHBondContact O-ND2 3.3Å; S172-A598 WeakPolarHBondContact CB-O 3.24Å
173I81.4Confident86.4Confident84 Ų8460.6 Ų60.643%0.43132%0.317SS..Hα-helixtrans-62.8-49.5174.4-69.9164.7000110.1S169 N170 F175 N176 K177S169-I173 WeakPolarHBondContact O-CG1 3.49Å; S169-I173 PolarHBondContact O-N 3.29Å; N170-I173 PolarHBondContact O-N 3.31Å; I173-F175 PolarHBondContact O-N 3.5Å; I173-N176 PolarHBondContact O-N 2.79Å; I173-K177 VanDerWaalsContact O-CB 3.25Å; I173-K177 WeakPolarHBondContact O-CB 3.41Å; I173-K177 PolarHBondContact O-N 2.95Å
174D84.3Confident86.6Confident60 Ų6060.4 Ų60.432%0.32131%0.313SS..Hα-helixtrans-63.7-40.6-178.8-75.5-32.2000112.1N170 L171 N176 K177 N178 I251N170-D174 PolarHBondContact O-N 3.36Å; L171-D174 PolarHBondContact O-N 3.26Å; D174-N176 PolarHBondContact O-N 3.32Å; D174-K177 PolarHBondContact O-N 3.38Å; D174-K177 IonicContact OD1-NZ 3.59Å; D174-K177 PolarHBondContact OD1-NZ 2.98Å; D174-N178 WeakPolarHBondContact O-CB 3.19Å; D174-N178 PolarHBondContact O-N 3.45Å; D174-N178 PolarHBondContact O-ND2 2.95Å; D174-N178 PolarHBondContact O-OD1 3.06Å; D174-I251 HydrophobicContact CB-CD1 4.11Å
175F92.9Very high86.7Confident0 Ų062.6 Ų62.60%033%0.329CS..Hα-helixtrans-55.4-49.1175.5-171-83000112.1L171 I173 L179 N248 I251 L252 A592 A598L171-F175 WeakPolarHBondContact O-CB 3.33Å; L171-F175 PolarHBondContact O-N 3Å; I173-F175 PolarHBondContact O-N 3.5Å; F175-L179 HydrophobicContact CD1-CD1 3.98Å; F175-L179 HydrophobicContact CE1-CD1 3.64Å; F175-L179 HydrophobicContact CZ-CD1 4.5Å; F175-L179 WeakPolarHBondContact O-CG 3.18Å; F175-L179 PolarHBondContact O-N 2.89Å; F175-N248 HydrophobicContact CD2-CB 3.75Å; F175-N248 HydrophobicContact CE2-CB 3.59Å; F175-N248 HydrophobicContact CZ-CB 4.33Å; F175-N248 PolarHBondContact O-ND2 3.31Å; F175-I251 HydrophobicContact CB-CG2 4Å; F175-I251 HydrophobicContact CD2-CB 4.37Å; F175-I251 HydrophobicContact CD2-CG2 3.93Å; F175-I251 HydrophobicContact CG-CG2 4.48Å; F175-L252 HydrophobicContact CE2-CB 4.35Å; F175-A592 WeakPolarHBondContact CZ-O 3.47Å; F175-A598 HydrophobicContact CB-CB 3.78Å; F175-A598 HydrophobicContact CD1-CB 3.51Å; F175-A598 HydrophobicContact CE1-CB 4.22Å; F175-A598 HydrophobicContact CG-CB 3.7Å
176N82.8Confident87.1Confident42 Ų4263.1 Ų63.123%0.22533%0.333CS..Hα-helixtrans-72.9-39.5-179.5-72.3-63.7000111.9S172 I173 D174 N178 L179 N180 A598S172-N176 PolarHBondContact O-N 3.12Å; S172-N176 PolarHBondContact O-ND2 3.3Å; I173-N176 PolarHBondContact O-N 2.79Å; D174-N176 PolarHBondContact O-N 3.32Å; N176-N178 PolarHBondContact O-N 3.41Å; N176-L179 PolarHBondContact O-N 2.97Å; N176-N180 WeakPolarHBondContact O-CB 3.38Å; N176-N180 PolarHBondContact O-N 3.27Å; N176-N180 PolarHBondContact O-ND2 2.98Å; N176-A598 PolarHBondContact ND2-O 2.77Å; N176-A598 VanDerWaalsContact ND2-O 3.11Å
177K79.2Confident87.7Confident78 Ų7858.1 Ų58.134%0.33932%0.316SS..Hα-helixtrans-58.2-48.5176.8-173.8-171.476.7-152.50110.8I173 D174 L179 N180 E181I173-K177 VanDerWaalsContact O-CB 3.25Å; I173-K177 WeakPolarHBondContact O-CB 3.41Å; I173-K177 PolarHBondContact O-N 2.95Å; D174-K177 PolarHBondContact O-N 3.38Å; D174-K177 IonicContact OD1-NZ 3.59Å; D174-K177 PolarHBondContact OD1-NZ 2.98Å; K177-L179 VanDerWaalsContact C-N 3.29Å; K177-L179 PolarHBondContact O-N 3.49Å; K177-N180 PolarHBondContact O-N 3.22Å; K177-N180 VanDerWaalsContact O-N 3.13Å; K177-E181 HydrophobicContact CG-CG 4.1Å; K177-E181 WeakPolarHBondContact O-CB 3.27Å; K177-E181 WeakPolarHBondContact O-CG 3.34Å; K177-E181 PolarHBondContact O-N 3.41Å
178N84.5Confident88.1Confident38 Ų3853.2 Ų53.220%0.20329%0.294CS..Hα-helixtrans-54.3-45.7178-67.5-13000111.5D174 N176 D182 C244 N248D174-N178 WeakPolarHBondContact O-CB 3.19Å; D174-N178 PolarHBondContact O-N 3.45Å; D174-N178 PolarHBondContact O-ND2 2.95Å; D174-N178 PolarHBondContact O-OD1 3.06Å; N176-N178 PolarHBondContact O-N 3.41Å; N178-D182 PolarHBondContact O-N 2.77Å; N178-D182 VanDerWaalsContact O-N 3.07Å; N178-C244 HydrophobicContact CB-CB 4.2Å; N178-C244 PolarHBondContact O-SG 3.3Å; N178-C244 VanDerWaalsContact O-SG 3.35Å; N178-N248 PolarHBondContact ND2-OD1 3.45Å
179L84.5Confident88.3Confident18 Ų1854.1 Ų54.19%0.09430%0.301CS..Hα-helixtrans-69.6-36.9178.9-64.3173.1000113.2F175 N176 K177 R243 C244F175-L179 HydrophobicContact CD1-CD1 3.98Å; F175-L179 HydrophobicContact CE1-CD1 3.64Å; F175-L179 HydrophobicContact CZ-CD1 4.5Å; F175-L179 WeakPolarHBondContact O-CG 3.18Å; F175-L179 PolarHBondContact O-N 2.89Å; N176-L179 PolarHBondContact O-N 2.97Å; K177-L179 VanDerWaalsContact C-N 3.29Å; K177-L179 PolarHBondContact O-N 3.49Å; L179-R243 HydrophobicContact CD2-CB 4.35Å; L179-C244 HydrophobicContact CD2-CB 4.26Å
180N76.4Confident88.8Confident115 Ų11557.7 Ų57.762%0.61531%0.305SS*.Hα-helixtrans-70.7-43.5-179.7-72.8-23.8000111.4N176 K177 D182 K216N176-N180 WeakPolarHBondContact O-CB 3.38Å; N176-N180 PolarHBondContact O-N 3.27Å; N176-N180 PolarHBondContact O-ND2 2.98Å; K177-N180 PolarHBondContact O-N 3.22Å; K177-N180 VanDerWaalsContact O-N 3.13Å; N180-D182 VanDerWaalsContact C-N 3.32Å; N180-K216 PolarHBondContact O-NZ 3.31Å
181E79.8Confident89.4Confident132 Ų13261.2 Ų61.262%0.61732%0.319SS*.Hα-helixtrans-79.2-10.1180-65.5-176.1167.500113.2K177 T183K177-E181 HydrophobicContact CG-CG 4.1Å; K177-E181 WeakPolarHBondContact O-CB 3.27Å; K177-E181 WeakPolarHBondContact O-CG 3.34Å; K177-E181 PolarHBondContact O-N 3.41Å; E181-T183 PolarHBondContact O-N 3.28Å; E181-T183 VanDerWaalsContact O-N 3.16Å
182D83.4Confident89.6Confident21 Ų2162.7 Ų62.711%0.11233%0.325CS..  trans-57119172.4175.2-112000111N178 N180 T184 K216 R243N178-D182 PolarHBondContact O-N 2.77Å; N178-D182 VanDerWaalsContact O-N 3.07Å; N180-D182 VanDerWaalsContact C-N 3.32Å; D182-T184 WeakPolarHBondContact OD2-CB 3.47Å; D182-T184 PolarHBondContact OD2-N 2.63Å; D182-T184 PolarHBondContact OD2-OG1 2.99Å; D182-K216 WeakPolarHBondContact O-CE 3.25Å; D182-K216 PolarHBondContact O-NZ 2.65Å; D182-R243 WeakPolarHBondContact OD1-CD 3.27Å; D182-R243 WeakPolarHBondContact OD1-CG 3.49Å
183T89Confident90Very high126 Ų12661.7 Ų61.777%0.77332%0.318SS*.  trans-111.820.1176.459.70000112.2E181 C185E181-T183 PolarHBondContact O-N 3.28Å; E181-T183 VanDerWaalsContact O-N 3.16Å; T183-C185 PolarHBondContact O-N 3.24Å
184T93.4Very high90.7Very high58 Ų5858.3 Ų58.336%0.35630%0.304SS..  trans-55.2131.2179.4-62.10000110.3D182 L215D182-T184 WeakPolarHBondContact OD2-CB 3.47Å; D182-T184 PolarHBondContact OD2-N 2.63Å; D182-T184 PolarHBondContact OD2-OG1 2.99Å; T184-L215 HydrophobicContact CG2-CD1 3.54Å; T184-L215 HydrophobicContact CG2-CG 4.12Å; T184-L215 PolarHBondContact O-N 2.82Å
185C96.1Very high91.1Very high54 Ų5457.4 Ų57.437%0.36531%0.308SS..EExtended strand (participates in β ladder)trans-138.5153.8175.5650000110.1T183 I213 T214T183-C185 PolarHBondContact O-N 3.24Å; C185-I213 WeakPolarHBondContact CA-O 3.27Å; C185-T214 HydrophobicContact CB-CG2 4.39Å
186L98.1Very high91Very high48 Ų4858 Ų5825%0.25131%0.312SS..EExtended strand (participates in β ladder)trans-122.6139.2176.1-60.7-179.6000108.9F188 I213 K235 L236 A239L186-F188 HydrophobicContact CB-CD2 4.28Å; L186-F188 HydrophobicContact CB-CE2 3.47Å; L186-F188 VanDerWaalsContact CB-CE2 3.47Å; L186-F188 HydrophobicContact CB-CZ 3.79Å; L186-F188 HydrophobicContact CD1-CE2 4.25Å; L186-F188 HydrophobicContact CD1-CZ 3.91Å; L186-I213 PolarHBondContact N-O 3.16Å; L186-I213 PolarHBondContact O-N 2.93Å; L186-K235 HydrophobicContact CD1-CB 4.24Å; L186-L236 HydrophobicContact CD1-CD2 3.89Å; L186-L236 HydrophobicContact CD1-CG 4.21Å; L186-A239 HydrophobicContact CD1-CB 4.01Å
187S98.1Very high91.2Very high32 Ų3258.1 Ų58.122%0.22432%0.315CS..EExtended strand (participates in β ladder)trans-100.7129.8179.6-58.30000110.2D207S187-D207 PolarHBondContact OG-OD2 2.91Å
188F98.3Very high91.4Very high5 Ų559.9 Ų59.92%0.02232%0.324CS..EExtended strand (participates in β ladder)trans-131.1145.7-178.4-63-79.5000110.6L186 Q192 L193 Q210 L211 I213 T232 K235 L236L186-F188 HydrophobicContact CB-CD2 4.28Å; L186-F188 HydrophobicContact CB-CE2 3.47Å; L186-F188 VanDerWaalsContact CB-CE2 3.47Å; L186-F188 HydrophobicContact CB-CZ 3.79Å; L186-F188 HydrophobicContact CD1-CE2 4.25Å; L186-F188 HydrophobicContact CD1-CZ 3.91Å; F188-Q192 HydrophobicContact CB-CB 4.01Å; F188-Q192 HydrophobicContact CD1-CB 4.18Å; F188-L193 HydrophobicContact CB-CD1 4.15Å; F188-L193 HydrophobicContact CB-CD2 3.82Å; F188-L193 HydrophobicContact CB-CG 3.73Å; F188-L193 HydrophobicContact CD2-CD2 4.04Å; F188-L193 HydrophobicContact CG-CD2 4.08Å; F188-Q210 CarbonylContact O-C 3.58Å; F188-Q210 WeakPolarHBondContact O-CA 3.32Å; F188-Q210 WeakPolarHBondContact O-CB 3.44Å; F188-L211 PolarHBondContact N-O 2.91Å; F188-L211 PolarHBondContact O-N 3.37Å; F188-I213 HydrophobicContact CD2-CB 4.14Å; F188-I213 HydrophobicContact CD2-CG1 3.76Å; F188-I213 HydrophobicContact CE2-CB 4.14Å; F188-I213 HydrophobicContact CE2-CG1 4.19Å; F188-T232 HydrophobicContact CD1-CG2 3.99Å; F188-T232 HydrophobicContact CD2-CG2 4.43Å; F188-T232 HydrophobicContact CE1-CG2 3.83Å; F188-T232 HydrophobicContact CE2-CG2 4.27Å; F188-T232 HydrophobicContact CG-CG2 4.29Å; F188-T232 HydrophobicContact CZ-CG2 3.98Å; F188-K235 HydrophobicContact CE1-CD 4.25Å; F188-K235 HydrophobicContact CZ-CB 4.4Å; F188-L236 HydrophobicContact CE2-CD1 4.09Å; F188-L236 HydrophobicContact CE2-CD2 4.15Å; F188-L236 HydrophobicContact CE2-CG 3.97Å; F188-L236 HydrophobicContact CZ-CD1 4.34Å; F188-L236 HydrophobicContact CZ-CG 3.99Å
189T98.1Very high91.1Very high39 Ų3962.8 Ų62.824%0.23934%0.34CS..  trans-70.6163.3168.578.50000110.5E191 Q192 L193 Q210T189-E191 WeakPolarHBondContact CB-OE2 3.47Å; T189-E191 PolarHBondContact O-N 3.46Å; T189-E191 PolarHBondContact OG1-N 2.9Å; T189-E191 PolarHBondContact OG1-OE2 3.23Å; T189-Q192 WeakPolarHBondContact O-CB 3.17Å; T189-Q192 PolarHBondContact O-N 3Å; T189-Q192 VanDerWaalsContact O-N 3.09Å; T189-Q192 PolarHBondContact OG1-N 3.19Å; T189-L193 PolarHBondContact O-N 2.67Å; T189-L193 VanDerWaalsContact O-N 3.16Å; T189-Q210 HydrophobicContact CG2-CG 4.11Å
190R96.2Very high91.2Very high135 Ų13563.2 Ų63.251%0.50934%0.341SS..THydrogen-bonded Turntrans-57.6-36.7175.6-75.6-178.8165.9-155.2-13.8112.3Q192 L193 G194 E198 L211R190-Q192 VanDerWaalsContact C-N 3.34Å; R190-Q192 PolarHBondContact O-N 3.43Å; R190-L193 CarbonylContact O-C 3.25Å; R190-L193 PolarHBondContact O-N 3.44Å; R190-L193 VanDerWaalsContact O-N 3.16Å; R190-G194 PolarHBondContact O-N 2.91Å; R190-E198 IonicContact NH2-OE1 3.83Å; R190-L211 HydrophobicContact CG-CD1 3.99Å
191E96.6Very high91.9Very high143 Ų14358.4 Ų58.467%0.66832%0.315SS*.THydrogen-bonded Turntrans-65-39.2177.4-57.969.3-147.100111.3T189 L193 G194T189-E191 WeakPolarHBondContact CB-OE2 3.47Å; T189-E191 PolarHBondContact O-N 3.46Å; T189-E191 PolarHBondContact OG1-N 2.9Å; T189-E191 PolarHBondContact OG1-OE2 3.23Å; E191-L193 PolarHBondContact O-N 2.66Å; E191-G194 PolarHBondContact O-N 3.49Å
192Q98.1Very high92.2Very high67 Ų6756.1 Ų56.131%0.31331%0.314SS..THydrogen-bonded Turntrans-69-21.4176.2-69.5175-34.100112.5F188 T189 R190 G194 C227 V229 T232F188-Q192 HydrophobicContact CB-CB 4.01Å; F188-Q192 HydrophobicContact CD1-CB 4.18Å; T189-Q192 WeakPolarHBondContact O-CB 3.17Å; T189-Q192 PolarHBondContact O-N 3Å; T189-Q192 VanDerWaalsContact O-N 3.09Å; T189-Q192 PolarHBondContact OG1-N 3.19Å; R190-Q192 VanDerWaalsContact C-N 3.34Å; R190-Q192 PolarHBondContact O-N 3.43Å; Q192-G194 VanDerWaalsContact C-N 3.33Å; Q192-C227 PolarHBondContact O-SG 3.41Å; Q192-V229 WeakPolarHBondContact O-CG2 3.45Å; Q192-T232 WeakPolarHBondContact O-CB 3.07Å; Q192-T232 PolarHBondContact O-OG1 2.89Å
193L97.8Very high92.2Very high1 Ų158.8 Ų58.81%0.00533%0.334CS..THydrogen-bonded Turntrans-94.716.7175.5-64.9176.5000113.1F188 T189 R190 E191 G195 L196 L201 L204 L211 I213 T232F188-L193 HydrophobicContact CB-CD1 4.15Å; F188-L193 HydrophobicContact CB-CD2 3.82Å; F188-L193 HydrophobicContact CB-CG 3.73Å; F188-L193 HydrophobicContact CD2-CD2 4.04Å; F188-L193 HydrophobicContact CG-CD2 4.08Å; T189-L193 PolarHBondContact O-N 2.67Å; T189-L193 VanDerWaalsContact O-N 3.16Å; R190-L193 CarbonylContact O-C 3.25Å; R190-L193 PolarHBondContact O-N 3.44Å; R190-L193 VanDerWaalsContact O-N 3.16Å; E191-L193 PolarHBondContact O-N 2.66Å; L193-G195 PolarHBondContact O-N 2.91Å; L193-L196 HydrophobicContact CB-CD1 3.96Å; L193-L196 HydrophobicContact CD2-CD1 3.92Å; L193-L196 HydrophobicContact CG-CD1 4.43Å; L193-L196 WeakPolarHBondContact O-CB 3.49Å; L193-L196 PolarHBondContact O-N 2.85Å; L193-L201 HydrophobicContact CB-CD2 3.76Å; L193-L201 HydrophobicContact CD1-CD2 3.81Å; L193-L201 HydrophobicContact CG-CD2 4.44Å; L193-L204 HydrophobicContact CD1-CD1 4.05Å; L193-L211 HydrophobicContact CD1-CB 3.89Å; L193-L211 HydrophobicContact CD1-CD1 4.04Å; L193-I213 HydrophobicContact CD1-CD1 4.24Å; L193-I213 HydrophobicContact CD1-CG1 4.38Å; L193-I213 HydrophobicContact CD2-CD1 4.03Å; L193-I213 HydrophobicContact CD2-CG1 3.83Å; L193-T232 HydrophobicContact CD2-CG2 4.08Å
194G96.3Very high92.2Very high12 Ų1253.3 Ų53.312%0.12430%0.3CS..THydrogen-bonded Turntrans-51132.7-178.600000113.8R190 E191 Q192 C227 F228R190-G194 PolarHBondContact O-N 2.91Å; E191-G194 PolarHBondContact O-N 3.49Å; Q192-G194 VanDerWaalsContact C-N 3.33Å; G194-C227 CarbonylContact O-C 3.52Å; G194-C227 WeakPolarHBondContact O-CA 3.37Å; G194-F228 VanDerWaalsContact C-CD1 3.43Å; G194-F228 VanDerWaalsContact CA-CZ 3.45Å; G194-F228 WeakPolarHBondContact O-CD1 3.41Å; G194-F228 WeakPolarHBondContact O-CG 3.38Å; G194-F228 PolarHBondContact O-N 2.92Å
195G92.4Very high92Very high41 Ų4156.1 Ų56.142%0.42331%0.313SS..THydrogen-bonded Turntrans99.4-14-178.700000113.8L193 F228L193-G195 PolarHBondContact O-N 2.91Å; G195-F228 VanDerWaalsContact CA-CD1 3.49Å
196L92.3Very high91.9Very high14 Ų1460.8 Ų60.87%0.07333%0.329CS..SBendtrans-76.6140.9174-72.2165.1000111.8L193 F200 L201 P222 T223 K226 C227L193-L196 HydrophobicContact CB-CD1 3.96Å; L193-L196 HydrophobicContact CD2-CD1 3.92Å; L193-L196 HydrophobicContact CG-CD1 4.43Å; L193-L196 WeakPolarHBondContact O-CB 3.49Å; L193-L196 PolarHBondContact O-N 2.85Å; L196-F200 HydrophobicContact CB-CD1 4.06Å; L196-F200 HydrophobicContact CD1-CD1 3.9Å; L196-F200 HydrophobicContact CD1-CE1 3.67Å; L196-F200 HydrophobicContact CD2-CD1 3.93Å; L196-F200 HydrophobicContact CD2-CE1 4.04Å; L196-F200 HydrophobicContact CD2-CG 4.46Å; L196-F200 HydrophobicContact CG-CD1 4.18Å; L196-F200 HydrophobicContact CG-CE1 4.33Å; L196-L201 HydrophobicContact CB-CD2 4Å; L196-L201 HydrophobicContact CB-CG 4.25Å; L196-L201 HydrophobicContact CD1-CD2 4.4Å; L196-P222 HydrophobicContact CD2-CB 4.49Å; L196-T223 HydrophobicContact CD1-CG2 4.09Å; L196-K226 HydrophobicContact CD2-CB 4.01Å; L196-C227 HydrophobicContact CG-CB 4.5Å
197P86.1Confident91.6Very high44 Ų4461.9 Ų61.929%0.28634%0.335SS..  trans-61.1150.2175.1-27.538.2000113.9D199 F200 L201P197-D199 VanDerWaalsContact C-N 3.33Å; P197-D199 WeakPolarHBondContact CB-OD1 3.22Å; P197-D199 PolarHBondContact O-N 2.96Å; P197-F200 HydrophobicContact CB-CB 4.49Å; P197-F200 WeakPolarHBondContact O-CB 3.12Å; P197-F200 PolarHBondContact O-N 3.05Å; P197-L201 WeakPolarHBondContact O-CG 3.38Å; P197-L201 PolarHBondContact O-N 2.88Å
198E84.8Confident91.3Very high115 Ų11563.4 Ų63.454%0.53736%0.356SS..Hα-helixtrans-64.9-34.5-178.4-172.362-155.600112.7R190 F200 L201 S202R190-E198 IonicContact NH2-OE1 3.83Å; E198-F200 VanDerWaalsContact C-N 3.32Å; E198-F200 PolarHBondContact O-N 2.99Å; E198-L201 PolarHBondContact O-N 2.97Å; E198-S202 VanDerWaalsContact O-CB 3.26Å; E198-S202 WeakPolarHBondContact O-CB 3.49Å; E198-S202 PolarHBondContact O-N 2.79Å; E198-S202 PolarHBondContact O-OG 2.8Å
199D77.6Confident91Very high99 Ų9971 Ų7153%0.52940%0.397SS..Hα-helixtrans-60.5-42.9174.458.2-33.5000111.1P197 S202 S203P197-D199 VanDerWaalsContact C-N 3.33Å; P197-D199 WeakPolarHBondContact CB-OD1 3.22Å; P197-D199 PolarHBondContact O-N 2.96Å; D199-S202 PolarHBondContact O-N 2.85Å; D199-S202 PolarHBondContact O-OG 3.1Å; D199-S203 PolarHBondContact O-N 3.01Å
200F85.3Confident90.9Very high26 Ų2672.2 Ų72.211%0.11440%0.4CS..Hα-helixtrans-61.6-51.5173.2-178.5-92.7000111.4L196 P197 E198 S202 S203 L204 I213 P218 P222L196-F200 HydrophobicContact CB-CD1 4.06Å; L196-F200 HydrophobicContact CD1-CD1 3.9Å; L196-F200 HydrophobicContact CD1-CE1 3.67Å; L196-F200 HydrophobicContact CD2-CD1 3.93Å; L196-F200 HydrophobicContact CD2-CE1 4.04Å; L196-F200 HydrophobicContact CD2-CG 4.46Å; L196-F200 HydrophobicContact CG-CD1 4.18Å; L196-F200 HydrophobicContact CG-CE1 4.33Å; P197-F200 HydrophobicContact CB-CB 4.49Å; P197-F200 WeakPolarHBondContact O-CB 3.12Å; P197-F200 PolarHBondContact O-N 3.05Å; E198-F200 VanDerWaalsContact C-N 3.32Å; E198-F200 PolarHBondContact O-N 2.99Å; F200-S202 VanDerWaalsContact C-N 3.27Å; F200-S202 PolarHBondContact O-N 3.02Å; F200-S203 PolarHBondContact O-N 2.85Å; F200-S203 VanDerWaalsContact O-N 3.11Å; F200-S203 PolarHBondContact O-OG 3.33Å; F200-L204 HydrophobicContact CD1-CD1 4.33Å; F200-L204 HydrophobicContact CE1-CD1 3.98Å; F200-L204 HydrophobicContact CE1-CD2 4.12Å; F200-L204 HydrophobicContact CE1-CG 4.4Å; F200-L204 HydrophobicContact CZ-CD2 4.15Å; F200-I213 HydrophobicContact CE1-CD1 3.88Å; F200-I213 HydrophobicContact CZ-CD1 4.17Å; F200-P218 WeakPolarHBondContact CE2-O 3.49Å; F200-P222 HydrophobicContact CD2-CB 4.13Å; F200-P222 HydrophobicContact CE2-CB 3.79Å; F200-P222 HydrophobicContact CE2-CG 4.06Å; F200-P222 HydrophobicContact CZ-CB 4.3Å
201L91.2Very high91Very high15 Ų1566.3 Ų66.38%0.07938%0.378CS..Hα-helixtrans-59.8-38.1-179.3-64.7176.3000112.4L193 L196 P197 E198 S203 L204 L211L193-L201 HydrophobicContact CB-CD2 3.76Å; L193-L201 HydrophobicContact CD1-CD2 3.81Å; L193-L201 HydrophobicContact CG-CD2 4.44Å; L196-L201 HydrophobicContact CB-CD2 4Å; L196-L201 HydrophobicContact CB-CG 4.25Å; L196-L201 HydrophobicContact CD1-CD2 4.4Å; P197-L201 WeakPolarHBondContact O-CG 3.38Å; P197-L201 PolarHBondContact O-N 2.88Å; E198-L201 PolarHBondContact O-N 2.97Å; L201-S203 VanDerWaalsContact C-N 3.27Å; L201-S203 PolarHBondContact O-N 2.87Å; L201-L204 HydrophobicContact CD2-CD1 4.41Å; L201-L204 PolarHBondContact O-N 3.1Å; L201-L211 HydrophobicContact CB-CD1 4.24Å; L201-L211 HydrophobicContact CD2-CD1 4.08Å
202S86.3Confident91Very high84 Ų8462.7 Ų62.759%0.58736%0.36SS*.Hα-helixtrans-70.7-20.9179.573.50000114E198 D199 F200E198-S202 VanDerWaalsContact O-CB 3.26Å; E198-S202 WeakPolarHBondContact O-CB 3.49Å; E198-S202 PolarHBondContact O-N 2.79Å; E198-S202 PolarHBondContact O-OG 2.8Å; D199-S202 PolarHBondContact O-N 2.85Å; D199-S202 PolarHBondContact O-OG 3.1Å; F200-S202 VanDerWaalsContact C-N 3.27Å; F200-S202 PolarHBondContact O-N 3.02Å
203S83.3Confident90.9Very high76 Ų7659.5 Ų59.553%0.53135%0.345SS..THydrogen-bonded Turntrans-83.5-10.5177.371.40000114.4D199 F200 L201D199-S203 PolarHBondContact O-N 3.01Å; F200-S203 PolarHBondContact O-N 2.85Å; F200-S203 VanDerWaalsContact O-N 3.11Å; F200-S203 PolarHBondContact O-OG 3.33Å; L201-S203 VanDerWaalsContact C-N 3.27Å; L201-S203 PolarHBondContact O-N 2.87Å
204L89.6Confident90.7Very high11 Ų1161.3 Ų61.36%0.05836%0.356CS..SBendtrans-82.2142.8-175.8-57.5176000111.5L193 F200 L201 L211 I213L193-L204 HydrophobicContact CD1-CD1 4.05Å; F200-L204 HydrophobicContact CD1-CD1 4.33Å; F200-L204 HydrophobicContact CE1-CD1 3.98Å; F200-L204 HydrophobicContact CE1-CD2 4.12Å; F200-L204 HydrophobicContact CE1-CG 4.4Å; F200-L204 HydrophobicContact CZ-CD2 4.15Å; L201-L204 HydrophobicContact CD2-CD1 4.41Å; L201-L204 PolarHBondContact O-N 3.1Å; L204-L211 HydrophobicContact CB-CB 4.09Å; L204-L211 HydrophobicContact CB-CD2 4.45Å; L204-L211 HydrophobicContact CD1-CB 3.84Å; L204-L211 HydrophobicContact CD1-CD1 4.18Å; L204-I213 HydrophobicContact CD1-CD1 3.4Å; L204-I213 HydrophobicContact CD1-CG1 4.49Å; L204-I213 HydrophobicContact CD2-CD1 3.93Å; L204-I213 HydrophobicContact CG-CD1 4.32Å
205D90.3Very high90.6Very high118 Ų11860.8 Ų60.863%0.63135%0.351SS*.PPolyproline II helixtrans-65.1140.3170.8-67.8-32.6000110.8K212D205-K212 HydrophobicContact CB-CB 4.39Å; D205-K212 HydrophobicContact CB-CD 4.29Å; D205-K212 PolarHBondContact O-N 2.8Å
206Q92.7Very high90.1Very high152 Ų15262.6 Ų62.671%0.7135%0.347SS*.EExtended strand (participates in β ladder)trans-81.1147.4176.5-65.7-177.4-7.600111.9L211Q206-L211 HydrophobicContact CG-CD2 4.13Å
207D91.9Very high89.7Confident71 Ų7167 Ų6738%0.3836%0.363SS..EExtended strand (participates in β ladder)trans-135.280.4172.7-162.122.5000109.5S187 D209 Q210 K212S187-D207 PolarHBondContact OG-OD2 2.91Å; D207-D209 PolarHBondContact O-N 2.95Å; D207-Q210 HydrophobicContact CB-CB 4.47Å; D207-Q210 PolarHBondContact N-O 3.36Å; D207-Q210 WeakPolarHBondContact O-CB 3.41Å; D207-Q210 PolarHBondContact O-N 3.31Å; D207-K212 HydrophobicContact CB-CD 4.3Å; D207-K212 VanDerWaalsContact CB-CE 3.42Å; D207-K212 HydrophobicContact CB-CG 3.83Å; D207-K212 VanDerWaalsContact CG-CE 3.43Å; D207-K212 IonicContact OD1-NZ 3.25Å
208G93Very high89.5Confident64 Ų6469.4 Ų69.466%0.6638%0.379SS*.THydrogen-bonded Turntrans60.8-122.8-165.200000110.6Q210G208-Q210 VanDerWaalsContact C-N 3.28Å; G208-Q210 PolarHBondContact O-N 3.38Å
209D91.2Very high89.7Confident165 Ų16565.9 Ų65.988%0.88236%0.363SS*.THydrogen-bonded Turntrans-85.53.5177.6-61.8-32.4000113.4D207D207-D209 PolarHBondContact O-N 2.95Å
210Q96.7Very high90.4Very high64 Ų6461.7 Ų61.730%0.29934%0.34SS..EExtended strand (participates in β ladder)trans-108.3165.5-179.3-63.4-169.4-43.900112.2F188 T189 D207 G208F188-Q210 CarbonylContact O-C 3.58Å; F188-Q210 WeakPolarHBondContact O-CA 3.32Å; F188-Q210 WeakPolarHBondContact O-CB 3.44Å; T189-Q210 HydrophobicContact CG2-CG 4.11Å; D207-Q210 HydrophobicContact CB-CB 4.47Å; D207-Q210 PolarHBondContact N-O 3.36Å; D207-Q210 WeakPolarHBondContact O-CB 3.41Å; D207-Q210 PolarHBondContact O-N 3.31Å; G208-Q210 VanDerWaalsContact C-N 3.28Å; G208-Q210 PolarHBondContact O-N 3.38Å
211L97.1Very high90.7Very high10 Ų1062.7 Ų62.75%0.05234%0.344CS..EExtended strand (participates in β ladder)trans-114.5135.1175.7-59.6175.9000109.6F188 R190 L193 L201 L204 Q206F188-L211 PolarHBondContact N-O 2.91Å; F188-L211 PolarHBondContact O-N 3.37Å; R190-L211 HydrophobicContact CG-CD1 3.99Å; L193-L211 HydrophobicContact CD1-CB 3.89Å; L193-L211 HydrophobicContact CD1-CD1 4.04Å; L201-L211 HydrophobicContact CB-CD1 4.24Å; L201-L211 HydrophobicContact CD2-CD1 4.08Å; L204-L211 HydrophobicContact CB-CB 4.09Å; L204-L211 HydrophobicContact CB-CD2 4.45Å; L204-L211 HydrophobicContact CD1-CB 3.84Å; L204-L211 HydrophobicContact CD1-CD1 4.18Å; Q206-L211 HydrophobicContact CG-CD2 4.13Å
212K97Very high90.6Very high67 Ų6764 Ų6429%0.29135%0.353SS..EExtended strand (participates in β ladder)trans-82.6122.9-179.1-64.5-175.1-178.8177.80111D205 D207D205-K212 HydrophobicContact CB-CB 4.39Å; D205-K212 HydrophobicContact CB-CD 4.29Å; D205-K212 PolarHBondContact O-N 2.8Å; D207-K212 HydrophobicContact CB-CD 4.3Å; D207-K212 VanDerWaalsContact CB-CE 3.42Å; D207-K212 HydrophobicContact CB-CG 3.83Å; D207-K212 VanDerWaalsContact CG-CE 3.43Å; D207-K212 IonicContact OD1-NZ 3.25Å
213I96.8Very high91.1Very high0 Ų060 Ų600%033%0.325CS..EExtended strand (participates in β ladder)trans-105.6112.2168.7-58.8-66.7000108.2C185 L186 F188 L193 F200 L204 H219 L236C185-I213 WeakPolarHBondContact CA-O 3.27Å; L186-I213 PolarHBondContact N-O 3.16Å; L186-I213 PolarHBondContact O-N 2.93Å; F188-I213 HydrophobicContact CD2-CB 4.14Å; F188-I213 HydrophobicContact CD2-CG1 3.76Å; F188-I213 HydrophobicContact CE2-CB 4.14Å; F188-I213 HydrophobicContact CE2-CG1 4.19Å; L193-I213 HydrophobicContact CD1-CD1 4.24Å; L193-I213 HydrophobicContact CD1-CG1 4.38Å; L193-I213 HydrophobicContact CD2-CD1 4.03Å; L193-I213 HydrophobicContact CD2-CG1 3.83Å; F200-I213 HydrophobicContact CE1-CD1 3.88Å; F200-I213 HydrophobicContact CZ-CD1 4.17Å; L204-I213 HydrophobicContact CD1-CD1 3.4Å; L204-I213 HydrophobicContact CD1-CG1 4.49Å; L204-I213 HydrophobicContact CD2-CD1 3.93Å; L204-I213 HydrophobicContact CG-CD1 4.32Å; I213-H219 HydrophobicContact CG2-CB 4.12Å; I213-L236 HydrophobicContact CB-CD2 4.31Å; I213-L236 HydrophobicContact CG2-CD1 3.95Å; I213-L236 HydrophobicContact CG2-CD2 3.57Å; I213-L236 HydrophobicContact CG2-CG 4.43Å
214T93.3Very high91.8Very high39 Ų3956.4 Ų56.424%0.23930%0.3CS..EExtended strand (participates in β ladder)trans-76.9160.5172.272.50000111C185 K216 H219C185-T214 HydrophobicContact CB-CG2 4.39Å; T214-K216 PolarHBondContact O-N 3.35Å; T214-K216 PolarHBondContact OG1-N 2.56Å; T214-H219 PolarHBondContact N-ND1 3.38Å; T214-H219 VanDerWaalsContact O-CB 3.31Å; T214-H219 WeakPolarHBondContact O-CB 3.31Å; T214-H219 PolarHBondContact OG1-ND1 3Å
215L93Very high92.1Very high1 Ų159.2 Ų59.21%0.00531%0.312CS..SBendtrans-79.96.2172.3-55.8-176.3000114.5T184 L236 A239 F240 R243T184-L215 HydrophobicContact CG2-CD1 3.54Å; T184-L215 HydrophobicContact CG2-CG 4.12Å; T184-L215 PolarHBondContact O-N 2.82Å; L215-L236 HydrophobicContact CD2-CD2 3.91Å; L215-A239 HydrophobicContact CD1-CB 4.01Å; L215-A239 HydrophobicContact CD2-CB 4.01Å; L215-F240 HydrophobicContact CB-CD2 4.25Å; L215-F240 HydrophobicContact CD2-CB 4.44Å; L215-F240 WeakPolarHBondContact O-CD2 3.46Å; L215-F240 WeakPolarHBondContact O-CE2 3.45Å; L215-R243 HydrophobicContact CD1-CG 3.56Å
216K83.8Confident92.2Very high79 Ų7956 Ų5634%0.34329%0.292SS..SBendtrans-71.8151.8174.7-54.5-61177.7-174.70110.8N180 D182 T214 P218 H219 Y220N180-K216 PolarHBondContact O-NZ 3.31Å; D182-K216 WeakPolarHBondContact O-CE 3.25Å; D182-K216 PolarHBondContact O-NZ 2.65Å; T214-K216 PolarHBondContact O-N 3.35Å; T214-K216 PolarHBondContact OG1-N 2.56Å; K216-P218 VanDerWaalsContact C-CD 3.46Å; K216-H219 PolarHBondContact O-N 3.44Å; K216-Y220 PolarHBondContact O-N 3.06Å
217Y82.6Confident92.5Very high106 Ų10648.8 Ų48.842%0.41626%0.259SS..Hα-helixtrans-55.5-41.2-171.2-72.814.8000114.3H219 Y220 F221 F240 H420Y217-H219 PolarHBondContact O-N 3.04Å; Y217-H219 VanDerWaalsContact O-N 3.16Å; Y217-Y220 PolarHBondContact O-N 2.75Å; Y217-F221 AromaticContact CD1-CE2 3.96Å; Y217-F221 HydrophobicContact CD1-CE2 3.96Å; Y217-F221 HydrophobicContact CD2-CD2 4.24Å; Y217-F221 AromaticContact CD2-CE2 3.49Å; Y217-F221 HydrophobicContact CD2-CE2 3.49Å; Y217-F221 VanDerWaalsContact CD2-CE2 3.49Å; Y217-F221 HydrophobicContact CD2-CZ 4.42Å; Y217-F221 HydrophobicContact CE1-CE2 4.36Å; Y217-F221 AromaticContact CE2-CE2 3.87Å; Y217-F221 HydrophobicContact CE2-CE2 3.87Å; Y217-F221 HydrophobicContact CE2-CZ 4.4Å; Y217-F221 HydrophobicContact CG-CD2 4Å; Y217-F221 AromaticContact CG-CE2 3.51Å; Y217-F221 HydrophobicContact CG-CE2 3.51Å; Y217-F221 HydrophobicContact CG-CZ 4.47Å; Y217-F221 PolarHBondContact O-N 3.31Å; Y217-F221 VanDerWaalsContact O-N 3.13Å; Y217-F240 HydrophobicContact CD1-CE2 4.19Å; Y217-F240 HydrophobicContact CD1-CZ 4.35Å; Y217-F240 HydrophobicContact CE1-CE2 4Å; Y217-F240 AromaticContact CE1-CZ 3.78Å; Y217-F240 HydrophobicContact CE1-CZ 3.78Å; Y217-H420 AromaticContact CD2-NE2 3.97Å; Y217-H420 AromaticContact CE2-CD2 3.87Å; Y217-H420 AromaticContact CE2-NE2 3.44Å; Y217-H420 WeakPolarHBondContact CE2-NE2 3.03Å; Y217-H420 AromaticContact CZ-NE2 3.86Å
218P82.1Confident92.7Very high95 Ų9548 Ų4862%0.61725%0.252SS*.Hα-helixtrans-60.9-22.8177.6-25.836.3000114.5F200 K216 P222F200-P218 WeakPolarHBondContact CE2-O 3.49Å; K216-P218 VanDerWaalsContact C-CD 3.46Å; P218-P222 WeakPolarHBondContact O-CD 3.49Å; P218-P222 VanDerWaalsContact O-CG 3.25Å; P218-P222 WeakPolarHBondContact O-CG 3.48Å
219H88.5Confident93Very high42 Ų4246 Ų4619%0.19423%0.227CC..Hα-helixtrans-99.8-43.8176.8-70.2167.5000112I213 T214 K216 Y217 T223I213-H219 HydrophobicContact CG2-CB 4.12Å; T214-H219 PolarHBondContact N-ND1 3.38Å; T214-H219 VanDerWaalsContact O-CB 3.31Å; T214-H219 WeakPolarHBondContact O-CB 3.31Å; T214-H219 PolarHBondContact OG1-ND1 3Å; K216-H219 PolarHBondContact O-N 3.44Å; Y217-H219 PolarHBondContact O-N 3.04Å; Y217-H219 VanDerWaalsContact O-N 3.16Å; H219-T223 WeakPolarHBondContact O-CB 3.34Å; H219-T223 PolarHBondContact O-N 2.88Å; H219-T223 PolarHBondContact O-OG1 3.48Å
220Y94Very high93.3Very high11 Ų1139.7 Ų39.74%0.04320%0.195CC..Hα-helixtrans-63.5-54.2-176.4178.6-102.4000112.1K216 Y217 T223 M224 L236 F240K216-Y220 PolarHBondContact O-N 3.06Å; Y217-Y220 PolarHBondContact O-N 2.75Å; Y220-T223 PolarHBondContact O-N 3.37Å; Y220-M224 HydrophobicContact CD1-CG 4.19Å; Y220-M224 HydrophobicContact CD2-CG 3.88Å; Y220-M224 HydrophobicContact CE1-CG 3.88Å; Y220-M224 HydrophobicContact CE2-CG 3.54Å; Y220-M224 HydrophobicContact CE2-SD 3.94Å; Y220-M224 HydrophobicContact CG-CG 4.19Å; Y220-M224 WeakPolarHBondContact O-CB 3.49Å; Y220-M224 VanDerWaalsContact O-CG 3.25Å; Y220-M224 WeakPolarHBondContact O-CG 3.48Å; Y220-M224 PolarHBondContact O-N 3.38Å; Y220-L236 HydrophobicContact CE2-CB 4.46Å; Y220-F240 AromaticContact CD1-CD2 3.87Å; Y220-F240 HydrophobicContact CD1-CD2 3.87Å; Y220-F240 AromaticContact CD1-CE2 3.77Å; Y220-F240 HydrophobicContact CD1-CE2 3.77Å; Y220-F240 HydrophobicContact CD1-CG 4.29Å; Y220-F240 HydrophobicContact CD1-CZ 4.11Å; Y220-F240 HydrophobicContact CD2-CB 3.83Å; Y220-F240 AromaticContact CD2-CD2 3.59Å; Y220-F240 HydrophobicContact CD2-CD2 3.59Å; Y220-F240 HydrophobicContact CD2-CE2 4.31Å; Y220-F240 AromaticContact CD2-CG 3.82Å; Y220-F240 HydrophobicContact CD2-CG 3.82Å; Y220-F240 HydrophobicContact CE1-CD1 4.03Å; Y220-F240 HydrophobicContact CE1-CD2 4.07Å; Y220-F240 HydrophobicContact CE1-CE1 4.08Å; Y220-F240 HydrophobicContact CE1-CE2 4.11Å; Y220-F240 HydrophobicContact CE1-CG 4.02Å; Y220-F240 HydrophobicContact CE1-CZ 4.1Å; Y220-F240 HydrophobicContact CE2-CB 3.36Å; Y220-F240 HydrophobicContact CE2-CD1 4.16Å; Y220-F240 AromaticContact CE2-CD2 3.81Å; Y220-F240 HydrophobicContact CE2-CD2 3.81Å; Y220-F240 AromaticContact CE2-CG 3.52Å; Y220-F240 HydrophobicContact CE2-CG 3.52Å; Y220-F240 AromaticContact CG-CD2 3.62Å; Y220-F240 HydrophobicContact CG-CD2 3.62Å; Y220-F240 AromaticContact CG-CE2 3.87Å; Y220-F240 HydrophobicContact CG-CE2 3.87Å; Y220-F240 HydrophobicContact CG-CG 4.19Å; Y220-F240 AromaticContact CZ-CD1 3.77Å; Y220-F240 AromaticContact CZ-CG 3.62Å
221F89.9Confident93.4Very high47 Ų4741.1 Ų41.121%0.20620%0.201CC..Hα-helixtrans-66.4-45.3-173.2-71-54.1000113.8Y217 T223 M224 K225Y217-F221 AromaticContact CD1-CE2 3.96Å; Y217-F221 HydrophobicContact CD1-CE2 3.96Å; Y217-F221 HydrophobicContact CD2-CD2 4.24Å; Y217-F221 AromaticContact CD2-CE2 3.49Å; Y217-F221 HydrophobicContact CD2-CE2 3.49Å; Y217-F221 VanDerWaalsContact CD2-CE2 3.49Å; Y217-F221 HydrophobicContact CD2-CZ 4.42Å; Y217-F221 HydrophobicContact CE1-CE2 4.36Å; Y217-F221 AromaticContact CE2-CE2 3.87Å; Y217-F221 HydrophobicContact CE2-CE2 3.87Å; Y217-F221 HydrophobicContact CE2-CZ 4.4Å; Y217-F221 HydrophobicContact CG-CD2 4Å; Y217-F221 AromaticContact CG-CE2 3.51Å; Y217-F221 HydrophobicContact CG-CE2 3.51Å; Y217-F221 HydrophobicContact CG-CZ 4.47Å; Y217-F221 PolarHBondContact O-N 3.31Å; Y217-F221 VanDerWaalsContact O-N 3.13Å; F221-T223 VanDerWaalsContact C-N 3.3Å; F221-T223 PolarHBondContact O-N 2.98Å; F221-M224 PolarHBondContact O-N 3.36Å; F221-K225 WeakPolarHBondContact O-CB 3.41Å; F221-K225 VanDerWaalsContact O-CG 3.27Å; F221-K225 WeakPolarHBondContact O-CG 3.3Å; F221-K225 PolarHBondContact O-N 3.1Å
222P90.8Very high93.4Very high41 Ų4140.8 Ų40.827%0.26620%0.2SC..Hα-helixtrans-58.4-42.8174.9-28.739.4000112.3L196 F200 P218 K225 K226L196-P222 HydrophobicContact CD2-CB 4.49Å; F200-P222 HydrophobicContact CD2-CB 4.13Å; F200-P222 HydrophobicContact CE2-CB 3.79Å; F200-P222 HydrophobicContact CE2-CG 4.06Å; F200-P222 HydrophobicContact CZ-CB 4.3Å; P218-P222 WeakPolarHBondContact O-CD 3.49Å; P218-P222 VanDerWaalsContact O-CG 3.25Å; P218-P222 WeakPolarHBondContact O-CG 3.48Å; P222-K225 PolarHBondContact O-N 2.99Å; P222-K226 WeakPolarHBondContact O-CB 3.34Å; P222-K226 PolarHBondContact O-N 2.94Å
223T96.8Very high93.5Very high0 Ų037.7 Ų37.70%019%0.186CC..Hα-helixtrans-62.9-46.9177.8-50.60000111.9L196 H219 Y220 F221 K225 C227 T232 L236L196-T223 HydrophobicContact CD1-CG2 4.09Å; H219-T223 WeakPolarHBondContact O-CB 3.34Å; H219-T223 PolarHBondContact O-N 2.88Å; H219-T223 PolarHBondContact O-OG1 3.48Å; Y220-T223 PolarHBondContact O-N 3.37Å; F221-T223 VanDerWaalsContact C-N 3.3Å; F221-T223 PolarHBondContact O-N 2.98Å; T223-K225 VanDerWaalsContact C-N 3.3Å; T223-K225 PolarHBondContact O-N 3.34Å; T223-C227 HydrophobicContact CG2-CB 3.84Å; T223-C227 WeakPolarHBondContact O-CB 3.45Å; T223-C227 PolarHBondContact O-N 3.17Å; T223-T232 HydrophobicContact CG2-CG2 4.2Å; T223-L236 HydrophobicContact CG2-CD1 3.27Å
224M97.8Very high93.6Very high2 Ų242.1 Ų42.11%0.0120%0.203CC..Hα-helixtrans-67.5-27.4178.3-65.6-52.3-6500113.7Y220 F221 R233 L236 E237 W331 R334 Y335Y220-M224 HydrophobicContact CD1-CG 4.19Å; Y220-M224 HydrophobicContact CD2-CG 3.88Å; Y220-M224 HydrophobicContact CE1-CG 3.88Å; Y220-M224 HydrophobicContact CE2-CG 3.54Å; Y220-M224 HydrophobicContact CE2-SD 3.94Å; Y220-M224 HydrophobicContact CG-CG 4.19Å; Y220-M224 WeakPolarHBondContact O-CB 3.49Å; Y220-M224 VanDerWaalsContact O-CG 3.25Å; Y220-M224 WeakPolarHBondContact O-CG 3.48Å; Y220-M224 PolarHBondContact O-N 3.38Å; F221-M224 PolarHBondContact O-N 3.36Å; M224-R233 HydrophobicContact CE-CB 3.92Å; M224-R233 HydrophobicContact SD-CB 4.08Å; M224-R233 HydrophobicContact SD-CG 4.44Å; M224-L236 HydrophobicContact SD-CB 4.02Å; M224-E237 HydrophobicContact CE-CB 3.84Å; M224-E237 HydrophobicContact CE-CG 4.34Å; M224-W331 HydrophobicContact CE-CB 3.92Å; M224-R334 HydrophobicContact CB-CB 4.25Å; M224-Y335 WeakPolarHBondContact O-CA 3.45Å; M224-Y335 WeakPolarHBondContact O-CB 3.5Å; M224-Y335 PolarHBondContact O-N 3.5Å
225K94.3Very high93.8Very high69 Ų6944.9 Ų44.930%0.321%0.212SC..Hα-helixtrans-83.8-34.7178.6-72.9-177.9-179.2-174.60113F221 P222 T223 R334 Y335 T338 D462F221-K225 WeakPolarHBondContact O-CB 3.41Å; F221-K225 VanDerWaalsContact O-CG 3.27Å; F221-K225 WeakPolarHBondContact O-CG 3.3Å; F221-K225 PolarHBondContact O-N 3.1Å; P222-K225 PolarHBondContact O-N 2.99Å; T223-K225 VanDerWaalsContact C-N 3.3Å; T223-K225 PolarHBondContact O-N 3.34Å; K225-R334 HydrophobicContact CG-CB 4.39Å; K225-Y335 WeakPolarHBondContact O-CD2 3.25Å; K225-T338 WeakPolarHBondContact CB-OG1 3.3Å; K225-D462 IonicContact NZ-OD2 2.98Å
226K93.9Very high94.1Very high52 Ų5244.8 Ų44.823%0.22621%0.211CC..Hα-helixtrans-118.2-25.2-168.3-59.5-59.8-170.7-1700115.7L196 P222 F228 T338 E342L196-K226 HydrophobicContact CD2-CB 4.01Å; P222-K226 WeakPolarHBondContact O-CB 3.34Å; P222-K226 PolarHBondContact O-N 2.94Å; K226-F228 PolarHBondContact O-N 3.45Å; K226-F228 VanDerWaalsContact O-N 3.13Å; K226-T338 HydrophobicContact CD-CG2 4.28Å; K226-E342 IonicContact NZ-OE1 3.82Å; K226-E342 PolarHBondContact NZ-OE1 2.8Å
227C97.8Very high94.8Very high0 Ų041.4 Ų41.40%020%0.197CC..  trans-67.3116.4-178.2-176.60000110.1Q192 G194 L196 T223 V229 R233 Y335Q192-C227 PolarHBondContact O-SG 3.41Å; G194-C227 CarbonylContact O-C 3.52Å; G194-C227 WeakPolarHBondContact O-CA 3.37Å; L196-C227 HydrophobicContact CG-CB 4.5Å; T223-C227 HydrophobicContact CG2-CB 3.84Å; T223-C227 WeakPolarHBondContact O-CB 3.45Å; T223-C227 PolarHBondContact O-N 3.17Å; C227-V229 VanDerWaalsContact C-N 3.25Å; C227-V229 PolarHBondContact O-N 3.45Å; C227-R233 HydrophobicContact CB-CG 4.35Å; C227-R233 WeakPolarHBondContact O-CD 3.3Å; C227-R233 PolarHBondContact O-NH1 3.31Å; C227-Y335 WeakPolarHBondContact O-CD2 3.06Å; C227-Y335 WeakPolarHBondContact O-CE2 3.37Å
228F97.1Very high95.5Very high53 Ų5340.1 Ų40.123%0.23219%0.194CC..  trans-78.2-10.8-178.860.4-121.4000113.1G194 G195 K226 P230 R233 R320 Y335G194-F228 VanDerWaalsContact C-CD1 3.43Å; G194-F228 VanDerWaalsContact CA-CZ 3.45Å; G194-F228 WeakPolarHBondContact O-CD1 3.41Å; G194-F228 WeakPolarHBondContact O-CG 3.38Å; G194-F228 PolarHBondContact O-N 2.92Å; G195-F228 VanDerWaalsContact CA-CD1 3.49Å; K226-F228 PolarHBondContact O-N 3.45Å; K226-F228 VanDerWaalsContact O-N 3.13Å; F228-P230 VanDerWaalsContact O-CD 3.25Å; F228-P230 WeakPolarHBondContact O-CD 3.44Å; F228-R233 PolarHBondContact O-NH1 3.46Å; F228-R320 VanDerWaalsContact CD1-CZ 3.49Å; F228-R320 VanDerWaalsContact CD2-NH1 3.33Å; F228-R320 VanDerWaalsContact CE1-NH1 3.33Å; F228-R320 VanDerWaalsContact CG-NH1 3.25Å; F228-Y335 HydrophobicContact CB-CE2 4.24Å; F228-Y335 VanDerWaalsContact CB-OH 3.28Å; F228-Y335 WeakPolarHBondContact CB-OH 3.16Å
229V98.4Very high96.3Very high24 Ų2436.7 Ų36.715%0.14517%0.174CC..  trans-81.2110.1-177.9-175.80000109.8Q192 C227 E231 T232 R233Q192-V229 WeakPolarHBondContact O-CG2 3.45Å; C227-V229 VanDerWaalsContact C-N 3.25Å; C227-V229 PolarHBondContact O-N 3.45Å; V229-E231 VanDerWaalsContact C-N 3.32Å; V229-E231 HydrophobicContact CG1-CB 4.49Å; V229-E231 PolarHBondContact O-N 2.92Å; V229-T232 PolarHBondContact O-N 3.37Å; V229-R233 PolarHBondContact O-N 2.92Å
230P98Very high96.7Very high31 Ų3135.5 Ų35.520%0.20117%0.168CC..Hα-helixtrans-62.8-37.5-173.3-22.434.3000113.1F228 T232 R233 R234 F322F228-P230 VanDerWaalsContact O-CD 3.25Å; F228-P230 WeakPolarHBondContact O-CD 3.44Å; P230-T232 VanDerWaalsContact C-N 3.34Å; P230-T232 PolarHBondContact O-N 3.13Å; P230-R233 PolarHBondContact O-N 3.14Å; P230-R234 WeakPolarHBondContact O-CB 3.47Å; P230-R234 PolarHBondContact O-N 3.46Å; P230-F322 HydrophobicContact CG-CD2 3.8Å; P230-F322 HydrophobicContact CG-CE2 3.96Å; P230-F322 HydrophobicContact CG-CG 4.32Å
231E98.2Very high96.9Very high94 Ų9435.6 Ų35.644%0.43917%0.17SC..Hα-helixtrans-63.3-36.8179.2-78.8-59.4127.500113.4V229 R234 K235V229-E231 VanDerWaalsContact C-N 3.32Å; V229-E231 HydrophobicContact CG1-CB 4.49Å; V229-E231 PolarHBondContact O-N 2.92Å; E231-R234 PolarHBondContact O-N 3.03Å; E231-R234 IonicContact OE1-CZ 3.16Å; E231-R234 IonicContact OE1-NE 3.83Å; E231-R234 PolarHBondContact OE1-NE 2.68Å; E231-R234 IonicContact OE1-NH2 2.68Å; E231-R234 IonicContact OE2-CZ 3.49Å; E231-R234 VanDerWaalsContact OE2-CZ 3.23Å; E231-R234 IonicContact OE2-NE 2.93Å; E231-R234 PolarHBondContact OE2-NE 2.72Å; E231-R234 VanDerWaalsContact OE2-NE 3.09Å; E231-R234 IonicContact OE2-NH2 3.42Å; E231-R234 PolarHBondContact OE2-NH2 2.88Å; E231-K235 WeakPolarHBondContact O-CG 3.25Å; E231-K235 PolarHBondContact O-N 3.13Å
232T98.6Very high97.3Very high3 Ų335 Ų352%0.01817%0.171CC..Hα-helixtrans-65.6-46.7174.8-59.60000110.5F188 Q192 L193 T223 V229 P230 R234 L236F188-T232 HydrophobicContact CD1-CG2 3.99Å; F188-T232 HydrophobicContact CD2-CG2 4.43Å; F188-T232 HydrophobicContact CE1-CG2 3.83Å; F188-T232 HydrophobicContact CE2-CG2 4.27Å; F188-T232 HydrophobicContact CG-CG2 4.29Å; F188-T232 HydrophobicContact CZ-CG2 3.98Å; Q192-T232 WeakPolarHBondContact O-CB 3.07Å; Q192-T232 PolarHBondContact O-OG1 2.89Å; L193-T232 HydrophobicContact CD2-CG2 4.08Å; T223-T232 HydrophobicContact CG2-CG2 4.2Å; V229-T232 PolarHBondContact O-N 3.37Å; P230-T232 VanDerWaalsContact C-N 3.34Å; P230-T232 PolarHBondContact O-N 3.13Å; T232-R234 VanDerWaalsContact C-N 3.35Å; T232-R234 PolarHBondContact O-N 3.08Å; T232-L236 HydrophobicContact CG2-CD1 4.1Å; T232-L236 WeakPolarHBondContact O-CB 3.48Å; T232-L236 PolarHBondContact O-N 3.05Å; T232-L236 VanDerWaalsContact O-N 3.08Å
233R98.5Very high97.6Very high3 Ų334.3 Ų34.31%0.01116%0.163CC..Hα-helixtrans-61.7-42.4176.1-62-162-54.9-84-0.9111.8M224 C227 F228 V229 P230 L236 E237 W331 D332M224-R233 HydrophobicContact CE-CB 3.92Å; M224-R233 HydrophobicContact SD-CB 4.08Å; M224-R233 HydrophobicContact SD-CG 4.44Å; C227-R233 HydrophobicContact CB-CG 4.35Å; C227-R233 WeakPolarHBondContact O-CD 3.3Å; C227-R233 PolarHBondContact O-NH1 3.31Å; F228-R233 PolarHBondContact O-NH1 3.46Å; V229-R233 PolarHBondContact O-N 2.92Å; P230-R233 PolarHBondContact O-N 3.14Å; R233-L236 PolarHBondContact O-N 3.11Å; R233-E237 VanDerWaalsContact O-CB 3.3Å; R233-E237 WeakPolarHBondContact O-CB 3.31Å; R233-E237 PolarHBondContact O-N 3.26Å; R233-W331 HydrophobicContact CB-CB 4.12Å; R233-W331 WeakPolarHBondContact CD-O 3.39Å; R233-W331 PolarHBondContact NE-O 3.42Å; R233-D332 IonicContact CZ-OD1 2.76Å; R233-D332 IonicContact NH2-OD1 3.51Å; R233-D332 PolarHBondContact NH2-OD1 3.39Å
234R98.4Very high97.6Very high93 Ų9335.2 Ų35.235%0.35117%0.169SC..Hα-helixtrans-58-55.4177.6-176.8-178.972.8130.60.5111.4P230 E231 T232 L236 E237 E238 W331P230-R234 WeakPolarHBondContact O-CB 3.47Å; P230-R234 PolarHBondContact O-N 3.46Å; E231-R234 PolarHBondContact O-N 3.03Å; E231-R234 IonicContact OE1-CZ 3.16Å; E231-R234 IonicContact OE1-NE 3.83Å; E231-R234 PolarHBondContact OE1-NE 2.68Å; E231-R234 IonicContact OE1-NH2 2.68Å; E231-R234 IonicContact OE2-CZ 3.49Å; E231-R234 VanDerWaalsContact OE2-CZ 3.23Å; E231-R234 IonicContact OE2-NE 2.93Å; E231-R234 PolarHBondContact OE2-NE 2.72Å; E231-R234 VanDerWaalsContact OE2-NE 3.09Å; E231-R234 IonicContact OE2-NH2 3.42Å; E231-R234 PolarHBondContact OE2-NH2 2.88Å; T232-R234 VanDerWaalsContact C-N 3.35Å; T232-R234 PolarHBondContact O-N 3.08Å; R234-L236 VanDerWaalsContact C-N 3.31Å; R234-L236 PolarHBondContact O-N 3.3Å; R234-E237 PolarHBondContact O-N 3.46Å; R234-E238 WeakPolarHBondContact O-CB 2.93Å; R234-E238 PolarHBondContact O-N 2.84Å; R234-W331 HydrophobicContact CB-CD2 3.93Å; R234-W331 HydrophobicContact CB-CE3 4.4Å; R234-W331 HydrophobicContact CB-CG 4.04Å; R234-W331 HydrophobicContact CG-CD2 3.99Å; R234-W331 HydrophobicContact CG-CE3 4Å; R234-W331 HydrophobicContact CG-CH2 4.29Å; R234-W331 HydrophobicContact CG-CZ2 4.26Å; R234-W331 HydrophobicContact CG-CZ3 4.16Å
235K98.4Very high97.6Very high96 Ų9638 Ų3842%0.41718%0.182SC..Hα-helixtrans-59.4-40.6-179.7-72.9178.7177.4-176.20112.5L186 F188 E231 A239L186-K235 HydrophobicContact CD1-CB 4.24Å; F188-K235 HydrophobicContact CE1-CD 4.25Å; F188-K235 HydrophobicContact CZ-CB 4.4Å; E231-K235 WeakPolarHBondContact O-CG 3.25Å; E231-K235 PolarHBondContact O-N 3.13Å; K235-A239 VanDerWaalsContact O-CB 3.3Å; K235-A239 WeakPolarHBondContact O-CB 3.26Å; K235-A239 PolarHBondContact O-N 2.95Å
236L98.1Very high97.7Very high0 Ų041 Ų410%020%0.196CC..Hα-helixtrans-69.2-41.1178-81.5167.3000112.8L186 F188 I213 L215 Y220 T223 M224 T232 R233 R234 F240L186-L236 HydrophobicContact CD1-CD2 3.89Å; L186-L236 HydrophobicContact CD1-CG 4.21Å; F188-L236 HydrophobicContact CE2-CD1 4.09Å; F188-L236 HydrophobicContact CE2-CD2 4.15Å; F188-L236 HydrophobicContact CE2-CG 3.97Å; F188-L236 HydrophobicContact CZ-CD1 4.34Å; F188-L236 HydrophobicContact CZ-CG 3.99Å; I213-L236 HydrophobicContact CB-CD2 4.31Å; I213-L236 HydrophobicContact CG2-CD1 3.95Å; I213-L236 HydrophobicContact CG2-CD2 3.57Å; I213-L236 HydrophobicContact CG2-CG 4.43Å; L215-L236 HydrophobicContact CD2-CD2 3.91Å; Y220-L236 HydrophobicContact CE2-CB 4.46Å; T223-L236 HydrophobicContact CG2-CD1 3.27Å; M224-L236 HydrophobicContact SD-CB 4.02Å; T232-L236 HydrophobicContact CG2-CD1 4.1Å; T232-L236 WeakPolarHBondContact O-CB 3.48Å; T232-L236 PolarHBondContact O-N 3.05Å; T232-L236 VanDerWaalsContact O-N 3.08Å; R233-L236 PolarHBondContact O-N 3.11Å; R234-L236 VanDerWaalsContact C-N 3.31Å; R234-L236 PolarHBondContact O-N 3.3Å; L236-F240 WeakPolarHBondContact O-CB 3.37Å; L236-F240 PolarHBondContact O-N 3.18Å
237E98.5Very high97.8Very high7 Ų743.7 Ų43.73%0.03321%0.21CC..Hα-helixtrans-65.1-44.1177.9-170.4-84.2154.100111.8M224 R233 R234 F240 N241 A330 W331 S585M224-E237 HydrophobicContact CE-CB 3.84Å; M224-E237 HydrophobicContact CE-CG 4.34Å; R233-E237 VanDerWaalsContact O-CB 3.3Å; R233-E237 WeakPolarHBondContact O-CB 3.31Å; R233-E237 PolarHBondContact O-N 3.26Å; R234-E237 PolarHBondContact O-N 3.46Å; E237-F240 PolarHBondContact O-N 2.99Å; E237-N241 WeakPolarHBondContact O-CB 3.45Å; E237-N241 PolarHBondContact O-N 3.39Å; E237-N241 PolarHBondContact OE1-ND2 3.31Å; E237-A330 HydrophobicContact CG-CB 4.28Å; E237-A330 WeakPolarHBondContact OE1-CB 3.35Å; E237-W331 HydrophobicContact CB-CB 3.73Å; E237-W331 HydrophobicContact CG-CB 4.08Å; E237-S585 VanDerWaalsContact OE2-CB 3.31Å; E237-S585 WeakPolarHBondContact OE2-CB 3.01Å; E237-S585 PolarHBondContact OE2-OG 3.22Å
238E98.4Very high97.9Very high79 Ų7943.7 Ų43.737%0.36921%0.21SC..Hα-helixtrans-60.9-49176-175.2-179169.800111.6R234 S242 T588R234-E238 WeakPolarHBondContact O-CB 2.93Å; R234-E238 PolarHBondContact O-N 2.84Å; E238-S242 WeakPolarHBondContact O-CB 3.25Å; E238-S242 PolarHBondContact O-N 3.34Å; E238-S242 VanDerWaalsContact O-N 3.11Å; E238-S242 PolarHBondContact O-OG 2.93Å; E238-T588 HydrophobicContact CG-CG2 4.44Å
239A98.1Very high97.9Very high23 Ų2342.8 Ų42.819%0.1921%0.21CC..Hα-helixtrans-62.7-45.3176.900000111.7L186 L215 K235 N241 S242 R243L186-A239 HydrophobicContact CD1-CB 4.01Å; L215-A239 HydrophobicContact CD1-CB 4.01Å; L215-A239 HydrophobicContact CD2-CB 4.01Å; K235-A239 VanDerWaalsContact O-CB 3.3Å; K235-A239 WeakPolarHBondContact O-CB 3.26Å; K235-A239 PolarHBondContact O-N 2.95Å; A239-N241 PolarHBondContact O-N 2.79Å; A239-S242 PolarHBondContact O-N 3.45Å; A239-R243 PolarHBondContact O-N 2.69Å
240F97.5Very high97.9Very high17 Ų1746.6 Ų46.68%0.07523%0.234CC..Hα-helixtrans-62.3-41.7-179.4-175.7-88000112.9L215 Y217 Y220 L236 E237 S242 R243L215-F240 HydrophobicContact CB-CD2 4.25Å; L215-F240 HydrophobicContact CD2-CB 4.44Å; L215-F240 WeakPolarHBondContact O-CD2 3.46Å; L215-F240 WeakPolarHBondContact O-CE2 3.45Å; Y217-F240 HydrophobicContact CD1-CE2 4.19Å; Y217-F240 HydrophobicContact CD1-CZ 4.35Å; Y217-F240 HydrophobicContact CE1-CE2 4Å; Y217-F240 AromaticContact CE1-CZ 3.78Å; Y217-F240 HydrophobicContact CE1-CZ 3.78Å; Y220-F240 AromaticContact CD1-CD2 3.87Å; Y220-F240 HydrophobicContact CD1-CD2 3.87Å; Y220-F240 AromaticContact CD1-CE2 3.77Å; Y220-F240 HydrophobicContact CD1-CE2 3.77Å; Y220-F240 HydrophobicContact CD1-CG 4.29Å; Y220-F240 HydrophobicContact CD1-CZ 4.11Å; Y220-F240 HydrophobicContact CD2-CB 3.83Å; Y220-F240 AromaticContact CD2-CD2 3.59Å; Y220-F240 HydrophobicContact CD2-CD2 3.59Å; Y220-F240 HydrophobicContact CD2-CE2 4.31Å; Y220-F240 AromaticContact CD2-CG 3.82Å; Y220-F240 HydrophobicContact CD2-CG 3.82Å; Y220-F240 HydrophobicContact CE1-CD1 4.03Å; Y220-F240 HydrophobicContact CE1-CD2 4.07Å; Y220-F240 HydrophobicContact CE1-CE1 4.08Å; Y220-F240 HydrophobicContact CE1-CE2 4.11Å; Y220-F240 HydrophobicContact CE1-CG 4.02Å; Y220-F240 HydrophobicContact CE1-CZ 4.1Å; Y220-F240 HydrophobicContact CE2-CB 3.36Å; Y220-F240 HydrophobicContact CE2-CD1 4.16Å; Y220-F240 AromaticContact CE2-CD2 3.81Å; Y220-F240 HydrophobicContact CE2-CD2 3.81Å; Y220-F240 AromaticContact CE2-CG 3.52Å; Y220-F240 HydrophobicContact CE2-CG 3.52Å; Y220-F240 AromaticContact CG-CD2 3.62Å; Y220-F240 HydrophobicContact CG-CD2 3.62Å; Y220-F240 AromaticContact CG-CE2 3.87Å; Y220-F240 HydrophobicContact CG-CE2 3.87Å; Y220-F240 HydrophobicContact CG-CG 4.19Å; Y220-F240 AromaticContact CZ-CD1 3.77Å; Y220-F240 AromaticContact CZ-CG 3.62Å; L236-F240 WeakPolarHBondContact O-CB 3.37Å; L236-F240 PolarHBondContact O-N 3.18Å; E237-F240 PolarHBondContact O-N 2.99Å; F240-S242 VanDerWaalsContact C-N 3.29Å; F240-R243 VanDerWaalsContact CE2-NH2 3.29Å; F240-R243 PolarHBondContact O-NE 3.14Å; F240-R243 PolarHBondContact O-NH2 3.2Å
241N98.3Very high97.9Very high14 Ų1446.1 Ų46.18%0.07523%0.229CC..THydrogen-bonded Turntrans-88.17.3179.4-70.9-40.5000113.6E237 A239 T588 N589E237-N241 WeakPolarHBondContact O-CB 3.45Å; E237-N241 PolarHBondContact O-N 3.39Å; E237-N241 PolarHBondContact OE1-ND2 3.31Å; A239-N241 PolarHBondContact O-N 2.79Å; N241-T588 HydrophobicContact CB-CG2 4.02Å; N241-N589 CarbonylContact O-C 3.52Å; N241-N589 VanDerWaalsContact O-C 3.22Å; N241-N589 PolarHBondContact O-N 2.87Å
242S98.2Very high97.9Very high34 Ų3441.6 Ų41.624%0.23821%0.208CC..THydrogen-bonded Turntrans-119.35.8174.1-53.80000113.5E238 A239 F240 C244 K245E238-S242 WeakPolarHBondContact O-CB 3.25Å; E238-S242 PolarHBondContact O-N 3.34Å; E238-S242 VanDerWaalsContact O-N 3.11Å; E238-S242 PolarHBondContact O-OG 2.93Å; A239-S242 PolarHBondContact O-N 3.45Å; F240-S242 VanDerWaalsContact C-N 3.29Å; S242-C244 PolarHBondContact O-N 3.44Å; S242-K245 VanDerWaalsContact O-CB 3.26Å; S242-K245 WeakPolarHBondContact O-CB 3.27Å; S242-K245 PolarHBondContact O-N 3.32Å
243R96.8Very high97.8Very high26 Ų2649.1 Ų49.110%0.09824%0.24CC..THydrogen-bonded Turntrans-55.5131.2173.9-74.2175.3-66.91588.9110.5L179 D182 L215 A239 F240 K245 T593L179-R243 HydrophobicContact CD2-CB 4.35Å; D182-R243 WeakPolarHBondContact OD1-CD 3.27Å; D182-R243 WeakPolarHBondContact OD1-CG 3.49Å; L215-R243 HydrophobicContact CD1-CG 3.56Å; A239-R243 PolarHBondContact O-N 2.69Å; F240-R243 VanDerWaalsContact CE2-NH2 3.29Å; F240-R243 PolarHBondContact O-NE 3.14Å; F240-R243 PolarHBondContact O-NH2 3.2Å; R243-K245 PolarHBondContact O-N 3.39Å; R243-T593 HydrophobicContact CB-CG2 4.12Å; R243-T593 WeakPolarHBondContact O-CG2 3.44Å
244C96.4Very high97.8Very high19 Ų1952.1 Ų52.113%0.12825%0.254CS..THydrogen-bonded Turntrans53.226.1178.3-45.90000113.3N178 L179 S242 E246 E247 N248N178-C244 HydrophobicContact CB-CB 4.2Å; N178-C244 PolarHBondContact O-SG 3.3Å; N178-C244 VanDerWaalsContact O-SG 3.35Å; L179-C244 HydrophobicContact CD2-CB 4.26Å; S242-C244 PolarHBondContact O-N 3.44Å; C244-E246 VanDerWaalsContact C-N 3.3Å; C244-E246 PolarHBondContact O-N 3.03Å; C244-E247 WeakPolarHBondContact CA-OE2 3.33Å; C244-E247 PolarHBondContact O-N 2.92Å; C244-N248 HydrophobicContact CB-CB 4.17Å; C244-N248 VanDerWaalsContact O-CB 3.24Å; C244-N248 WeakPolarHBondContact O-CB 3.48Å; C244-N248 PolarHBondContact O-N 3.37Å
245K97.7Very high97.8Very high61 Ų6147.7 Ų47.727%0.26524%0.238SC..Hα-helixtrans-54.1-46.3-172.1172.2-178.9168.5-170.10111.5S242 R243 S249 E587 N589S242-K245 VanDerWaalsContact O-CB 3.26Å; S242-K245 WeakPolarHBondContact O-CB 3.27Å; S242-K245 PolarHBondContact O-N 3.32Å; R243-K245 PolarHBondContact O-N 3.39Å; K245-S249 WeakPolarHBondContact O-CB 3.49Å; K245-S249 PolarHBondContact O-N 3.22Å; K245-S249 PolarHBondContact O-OG 3.16Å; K245-E587 WeakPolarHBondContact CE-O 3.5Å; K245-E587 PolarHBondContact NZ-O 3.22Å; K245-N589 HydrophobicContact CD-CB 4.41Å; K245-N589 HydrophobicContact CG-CB 3.97Å
246E96.8Very high97.7Very high131 Ų13144.2 Ų44.261%0.61223%0.225SC*.Hα-helixtrans-70.2-49.8-176-58.8-53.4135.200111.5C244 V250C244-E246 VanDerWaalsContact C-N 3.3Å; C244-E246 PolarHBondContact O-N 3.03Å; E246-V250 WeakPolarHBondContact O-CG2 3.45Å
247E96.6Very high97.7Very high109 Ų10950.2 Ų50.251%0.50925%0.251SS..Hα-helixtrans-68.2-50.9-176.5-55.582.5177.500111.4C244 S249 V250 I251C244-E247 WeakPolarHBondContact CA-OE2 3.33Å; C244-E247 PolarHBondContact O-N 2.92Å; E247-S249 PolarHBondContact O-N 3.16Å; E247-V250 PolarHBondContact O-N 2.89Å; E247-I251 WeakPolarHBondContact O-CG1 3.4Å; E247-I251 PolarHBondContact O-N 3.37Å; E247-I251 VanDerWaalsContact O-N 3.12Å
248N98.1Very high97.7Very high0 Ų050.1 Ų50.10%025%0.251CS..Hα-helixtrans-75.7-23.8-173.6-77.88.6000112.9F175 N178 C244 L252 A592F175-N248 HydrophobicContact CD2-CB 3.75Å; F175-N248 HydrophobicContact CE2-CB 3.59Å; F175-N248 HydrophobicContact CZ-CB 4.33Å; F175-N248 PolarHBondContact O-ND2 3.31Å; N178-N248 PolarHBondContact ND2-OD1 3.45Å; C244-N248 HydrophobicContact CB-CB 4.17Å; C244-N248 VanDerWaalsContact O-CB 3.24Å; C244-N248 WeakPolarHBondContact O-CB 3.48Å; C244-N248 PolarHBondContact O-N 3.37Å; N248-L252 VanDerWaalsContact O-CB 3.23Å; N248-L252 WeakPolarHBondContact O-CB 3.42Å; N248-L252 PolarHBondContact O-N 3.32Å; N248-A592 HydrophobicContact CB-CB 3.95Å; N248-A592 VanDerWaalsContact CB-O 3.23Å; N248-A592 WeakPolarHBondContact CB-O 3.2Å; N248-A592 PolarHBondContact ND2-O 3.45Å
249S97.9Very high97.7Very high34 Ų3446.7 Ų46.724%0.23823%0.234CC..Hα-helixtrans-65.1-42.9171.1-63.50000111.7K245 E247 L252 K253 N589K245-S249 WeakPolarHBondContact O-CB 3.49Å; K245-S249 PolarHBondContact O-N 3.22Å; K245-S249 PolarHBondContact O-OG 3.16Å; E247-S249 PolarHBondContact O-N 3.16Å; S249-L252 PolarHBondContact O-N 3.44Å; S249-K253 PolarHBondContact O-N 3.35Å; S249-K253 VanDerWaalsContact O-N 3.11Å; S249-N589 PolarHBondContact OG-ND2 3.28Å
250V98.1Very high97.7Very high105 Ų10547.1 Ų47.164%0.63624%0.237SC*.Hα-helixtrans-64.5-45.6176.9175.80000110.3E246 E247 L252 K253 E254E246-V250 WeakPolarHBondContact O-CG2 3.45Å; E247-V250 PolarHBondContact O-N 2.89Å; V250-L252 PolarHBondContact O-N 3.27Å; V250-K253 PolarHBondContact O-N 3.49Å; V250-E254 PolarHBondContact O-N 2.92Å
251I98Very high97.7Very high20 Ų2049.6 Ų49.610%0.10325%0.249CC..Hα-helixtrans-59-48.6176.8-69.3169.1000111L171 D174 F175 E247 K253 E254 L255L171-I251 HydrophobicContact CB-CG2 4.02Å; L171-I251 HydrophobicContact CD2-CB 4.42Å; L171-I251 HydrophobicContact CD2-CG1 4.13Å; L171-I251 HydrophobicContact CD2-CG2 4.06Å; L171-I251 WeakPolarHBondContact O-CG2 3.29Å; D174-I251 HydrophobicContact CB-CD1 4.11Å; F175-I251 HydrophobicContact CB-CG2 4Å; F175-I251 HydrophobicContact CD2-CB 4.37Å; F175-I251 HydrophobicContact CD2-CG2 3.93Å; F175-I251 HydrophobicContact CG-CG2 4.48Å; E247-I251 WeakPolarHBondContact O-CG1 3.4Å; E247-I251 PolarHBondContact O-N 3.37Å; E247-I251 VanDerWaalsContact O-N 3.12Å; I251-K253 VanDerWaalsContact C-N 3.33Å; I251-K253 PolarHBondContact O-N 3.49Å; I251-E254 PolarHBondContact O-N 2.72Å; I251-L255 HydrophobicContact CG2-CD1 3.82Å; I251-L255 HydrophobicContact CG2-CG 4.14Å; I251-L255 WeakPolarHBondContact O-CG 3.35Å; I251-L255 PolarHBondContact O-N 3.44Å
252L98.1Very high97.7Very high0 Ų049.8 Ų49.80%025%0.25CC..Hα-helixtrans-62.3-40.3-177.2-178.557.8000112.1F175 N248 S249 V250 E254 L255 V256 L560 P568 P591 L597F175-L252 HydrophobicContact CE2-CB 4.35Å; N248-L252 VanDerWaalsContact O-CB 3.23Å; N248-L252 WeakPolarHBondContact O-CB 3.42Å; N248-L252 PolarHBondContact O-N 3.32Å; S249-L252 PolarHBondContact O-N 3.44Å; V250-L252 PolarHBondContact O-N 3.27Å; L252-E254 VanDerWaalsContact C-N 3.35Å; L252-E254 PolarHBondContact O-N 2.84Å; L252-L255 PolarHBondContact O-N 3.35Å; L252-V256 HydrophobicContact CD1-CG2 4.28Å; L252-V256 WeakPolarHBondContact O-CG2 3.45Å; L252-V256 PolarHBondContact O-N 3.21Å; L252-L560 HydrophobicContact CD2-CD1 4.32Å; L252-P568 HydrophobicContact CD2-CB 3.83Å; L252-P568 HydrophobicContact CD2-CG 3.79Å; L252-P568 HydrophobicContact CG-CG 4.25Å; L252-P591 HydrophobicContact CD2-CB 3.87Å; L252-L597 HydrophobicContact CD1-CB 4.2Å; L252-L597 HydrophobicContact CD1-CD1 3.88Å; L252-L597 HydrophobicContact CD2-CD1 3.94Å
253K97.3Very high97.7Very high160 Ų16048.2 Ų48.270%0.69624%0.238SC*.Hα-helixtrans-61.2-43.1176.7-172.9175.2-176.9173.10112S249 V250 I251 K257S249-K253 PolarHBondContact O-N 3.35Å; S249-K253 VanDerWaalsContact O-N 3.11Å; V250-K253 PolarHBondContact O-N 3.49Å; I251-K253 VanDerWaalsContact C-N 3.33Å; I251-K253 PolarHBondContact O-N 3.49Å; K253-K257 PolarHBondContact O-N 3.25Å
254E97.8Very high97.7Very high66 Ų6650.4 Ų50.431%0.30826%0.258SS..Hα-helixtrans-71.6-39177.6-173.165-176.100111.7L171 V250 I251 L252 V256 K257 L258L171-E254 HydrophobicContact CD1-CB 4.14Å; L171-E254 HydrophobicContact CD1-CG 3.75Å; V250-E254 PolarHBondContact O-N 2.92Å; I251-E254 PolarHBondContact O-N 2.72Å; L252-E254 VanDerWaalsContact C-N 3.35Å; L252-E254 PolarHBondContact O-N 2.84Å; E254-V256 PolarHBondContact O-N 3.44Å; E254-K257 PolarHBondContact O-N 3.31Å; E254-L258 HydrophobicContact CG-CD1 3.82Å; E254-L258 HydrophobicContact CG-CG 4.17Å; E254-L258 WeakPolarHBondContact O-CB 3.35Å; E254-L258 VanDerWaalsContact O-CG 3.31Å; E254-L258 WeakPolarHBondContact O-CG 3.36Å; E254-L258 PolarHBondContact O-N 2.64Å
255L98.1Very high97.8Very high0 Ų051.6 Ų51.60%026%0.262CS..Hα-helixtrans-55.6-51.6173.8-79.2174.4000111.6L168 L171 I251 L252 K257 L258 R259 A598L168-L255 HydrophobicContact CD2-CD2 3.67Å; L171-L255 HydrophobicContact CB-CD2 3.57Å; L171-L255 HydrophobicContact CB-CG 3.94Å; L171-L255 HydrophobicContact CD1-CD2 4.16Å; L171-L255 HydrophobicContact CD1-CG 4.37Å; I251-L255 HydrophobicContact CG2-CD1 3.82Å; I251-L255 HydrophobicContact CG2-CG 4.14Å; I251-L255 WeakPolarHBondContact O-CG 3.35Å; I251-L255 PolarHBondContact O-N 3.44Å; L252-L255 PolarHBondContact O-N 3.35Å; L255-K257 PolarHBondContact O-N 3.32Å; L255-L258 PolarHBondContact O-N 3.1Å; L255-R259 VanDerWaalsContact O-CB 3.28Å; L255-R259 WeakPolarHBondContact O-CB 3.45Å; L255-R259 VanDerWaalsContact O-CG 3.26Å; L255-R259 WeakPolarHBondContact O-CG 3.35Å; L255-R259 PolarHBondContact O-N 3.33Å; L255-A598 HydrophobicContact CD1-CB 4.38Å
256V97.8Very high97.8Very high24 Ų2449.4 Ų49.415%0.14525%0.253CS..Hα-helixtrans-59.1-46.2-180165.20000111.3L252 E254 R259 A260 L560L252-V256 HydrophobicContact CD1-CG2 4.28Å; L252-V256 WeakPolarHBondContact O-CG2 3.45Å; L252-V256 PolarHBondContact O-N 3.21Å; E254-V256 PolarHBondContact O-N 3.44Å; V256-R259 PolarHBondContact O-N 3.35Å; V256-A260 PolarHBondContact O-N 2.91Å; V256-A260 VanDerWaalsContact O-N 3.08Å; V256-L560 WeakPolarHBondContact CG1-O 3.39Å; V256-L560 HydrophobicContact CG2-CB 4.08Å
257K97.9Very high97.8Very high125 Ų12546.6 Ų46.654%0.54326%0.26SS..Hα-helixtrans-61.5-49.9178.4179.3-172.9169.8-164.20112K253 E254 L255 R259 A260 Q261K253-K257 PolarHBondContact O-N 3.25Å; E254-K257 PolarHBondContact O-N 3.31Å; L255-K257 PolarHBondContact O-N 3.32Å; K257-R259 VanDerWaalsContact C-N 3.34Å; K257-R259 PolarHBondContact O-N 3Å; K257-A260 PolarHBondContact O-N 3.47Å; K257-Q261 PolarHBondContact O-N 3.34Å
258L98Very high97.9Very high6 Ų643.6 Ų43.63%0.03125%0.245CC..Hα-helixtrans-66-36.2-178.8-74.1178.7000112.1I164 K167 L168 L171 E254 L255 Q261 K262I164-L258 HydrophobicContact CG1-CD2 4.33Å; I164-L258 HydrophobicContact CG2-CB 3.97Å; I164-L258 HydrophobicContact CG2-CD2 4.15Å; K167-L258 HydrophobicContact CB-CD1 3.83Å; K167-L258 HydrophobicContact CD-CD1 4.38Å; L168-L258 HydrophobicContact CD2-CB 3.52Å; L168-L258 HydrophobicContact CD2-CD1 4.24Å; L168-L258 HydrophobicContact CG-CB 4.03Å; L168-L258 HydrophobicContact CG-CD1 4.49Å; L171-L258 HydrophobicContact CD1-CD1 3.83Å; E254-L258 HydrophobicContact CG-CD1 3.82Å; E254-L258 HydrophobicContact CG-CG 4.17Å; E254-L258 WeakPolarHBondContact O-CB 3.35Å; E254-L258 VanDerWaalsContact O-CG 3.31Å; E254-L258 WeakPolarHBondContact O-CG 3.36Å; E254-L258 PolarHBondContact O-N 2.64Å; L255-L258 PolarHBondContact O-N 3.1Å; L258-Q261 PolarHBondContact O-N 3.26Å; L258-K262 VanDerWaalsContact O-CB 3.31Å; L258-K262 WeakPolarHBondContact O-CB 3.45Å; L258-K262 PolarHBondContact O-N 3.5Å
259R98.2Very high97.9Very high7 Ų748.2 Ų48.23%0.02628%0.277CS..Hα-helixtrans-61.1-47.5173.4-81.9174.8172.1142.57.5111.7L168 L255 V256 K257 K262 S263 H271 H561 L597 D602L168-R259 HydrophobicContact CD1-CG 4.32Å; L168-R259 HydrophobicContact CD2-CG 3.95Å; L255-R259 VanDerWaalsContact O-CB 3.28Å; L255-R259 WeakPolarHBondContact O-CB 3.45Å; L255-R259 VanDerWaalsContact O-CG 3.26Å; L255-R259 WeakPolarHBondContact O-CG 3.35Å; L255-R259 PolarHBondContact O-N 3.33Å; V256-R259 PolarHBondContact O-N 3.35Å; K257-R259 VanDerWaalsContact C-N 3.34Å; K257-R259 PolarHBondContact O-N 3Å; R259-K262 PolarHBondContact O-N 3.37Å; R259-S263 PolarHBondContact O-N 3.47Å; R259-S263 PolarHBondContact O-OG 3.46Å; R259-H271 HydrophobicContact CB-CB 3.97Å; R259-H561 PolarHBondContact NH1-NE2 2.96Å; R259-L597 VanDerWaalsContact CZ-O 3.24Å; R259-L597 PolarHBondContact NH1-O 2.76Å; R259-L597 PolarHBondContact NH2-O 3.37Å; R259-D602 IonicContact CZ-OD1 3.08Å; R259-D602 IonicContact CZ-OD2 2.68Å; R259-D602 VanDerWaalsContact CZ-OD2 3.27Å; R259-D602 IonicContact NE-OD2 2.91Å; R259-D602 PolarHBondContact NE-OD2 3.42Å; R259-D602 VanDerWaalsContact NH2-CB 3.31Å; R259-D602 IonicContact NH2-OD1 3.75Å; R259-D602 PolarHBondContact NH2-OD1 3.08Å; R259-D602 IonicContact NH2-OD2 3.93Å; R259-D602 PolarHBondContact NH2-OD2 3.33Å
260A98.1Very high97.9Very high31 Ų3147.7 Ų47.726%0.25627%0.273SS..Hα-helixtrans-62.8-42.5176.600000112.6V256 K257 S263 S264V256-A260 PolarHBondContact O-N 2.91Å; V256-A260 VanDerWaalsContact O-N 3.08Å; K257-A260 PolarHBondContact O-N 3.47Å; A260-S263 PolarHBondContact O-OG 2.89Å; A260-S264 WeakPolarHBondContact O-CB 3.46Å; A260-S264 PolarHBondContact O-N 3.4Å; A260-S264 VanDerWaalsContact O-N 3.08Å; A260-S264 PolarHBondContact O-OG 3.48Å
261Q97.8Very high97.9Very high70 Ų7043.1 Ų43.133%0.32725%0.245SC..Hα-helixtrans-61.7-48.6175.1-176177.5-10.600111.3E160 I164 K257 L258 S263 S264 L265E160-Q261 PolarHBondContact OE1-NE2 2.87Å; I164-Q261 HydrophobicContact CD1-CB 4.38Å; I164-Q261 HydrophobicContact CD1-CG 3.79Å; K257-Q261 PolarHBondContact O-N 3.34Å; L258-Q261 PolarHBondContact O-N 3.26Å; Q261-S263 PolarHBondContact O-N 3.28Å; Q261-S264 WeakPolarHBondContact O-CB 3.41Å; Q261-S264 PolarHBondContact O-N 2.85Å; Q261-L265 HydrophobicContact CG-CD1 4.36Å; Q261-L265 WeakPolarHBondContact O-CG 3.37Å; Q261-L265 PolarHBondContact O-N 3.42Å
262K97.6Very high97.9Very high18 Ų1842.2 Ų42.28%0.07824%0.24CC..Hα-helixtrans-59.4-46.7178171.2178.8161.8-74.80112.2I164 K165 L168 L258 R259 S264 L265 L266 F274I164-K262 HydrophobicContact CG2-CB 3.89Å; K165-K262 HydrophobicContact CG-CD 3.95Å; L168-K262 HydrophobicContact CD1-CD 3.92Å; L258-K262 VanDerWaalsContact O-CB 3.31Å; L258-K262 WeakPolarHBondContact O-CB 3.45Å; L258-K262 PolarHBondContact O-N 3.5Å; R259-K262 PolarHBondContact O-N 3.37Å; K262-S264 VanDerWaalsContact C-N 3.27Å; K262-S264 PolarHBondContact O-N 3.32Å; K262-L265 PolarHBondContact O-N 2.83Å; K262-L266 HydrophobicContact CG-CD1 3.89Å; K262-L266 WeakPolarHBondContact O-CG 3.48Å; K262-L266 PolarHBondContact O-N 3.05Å; K262-L266 VanDerWaalsContact O-N 3.16Å; K262-F274 VanDerWaalsContact NZ-CZ 3.26Å
263S97.8Very high98Very high0 Ų043.9 Ų43.90%025%0.249CC..Hα-helixtrans-63.1-37.718063.10000111.4R259 A260 Q261 L266 G267 F268 T270 H271R259-S263 PolarHBondContact O-N 3.47Å; R259-S263 PolarHBondContact O-OG 3.46Å; A260-S263 PolarHBondContact O-OG 2.89Å; Q261-S263 PolarHBondContact O-N 3.28Å; S263-L266 CarbonylContact O-C 3.56Å; S263-L266 PolarHBondContact O-N 3.48Å; S263-G267 PolarHBondContact O-N 3Å; S263-F268 CarbonylContact C-O 3.56Å; S263-F268 PolarHBondContact O-N 3.36Å; S263-T270 WeakPolarHBondContact CB-O 3.19Å; S263-H271 PolarHBondContact OG-N 3.09Å
264S97.9Very high98Very high72 Ų7237.2 Ų37.250%0.50322%0.22SC..Hα-helixtrans-64.7-44.9177.6-55.50000112A260 Q261 K262 L266 G267A260-S264 WeakPolarHBondContact O-CB 3.46Å; A260-S264 PolarHBondContact O-N 3.4Å; A260-S264 VanDerWaalsContact O-N 3.08Å; A260-S264 PolarHBondContact O-OG 3.48Å; Q261-S264 WeakPolarHBondContact O-CB 3.41Å; Q261-S264 PolarHBondContact O-N 2.85Å; K262-S264 VanDerWaalsContact C-N 3.27Å; K262-S264 PolarHBondContact O-N 3.32Å; S264-L266 PolarHBondContact O-N 2.87Å; S264-G267 PolarHBondContact O-N 3.31Å
265L97.9Very high98.1Very high44 Ų4434.7 Ų34.723%0.2321%0.209CC..Hα-helixtrans-60.6-29.7174.3-67.7170000112.6L153 T157 E160 I161 I164 Q261 K262 G267L153-L265 WeakPolarHBondContact CD1-O 3.48Å; T157-L265 HydrophobicContact CG2-CB 4.25Å; T157-L265 HydrophobicContact CG2-CD2 4.25Å; E160-L265 HydrophobicContact CB-CD1 4.3Å; E160-L265 HydrophobicContact CG-CD1 3.83Å; I161-L265 HydrophobicContact CD1-CB 4.1Å; I161-L265 HydrophobicContact CG1-CB 3.91Å; I161-L265 HydrophobicContact CG1-CD1 3.96Å; I164-L265 HydrophobicContact CD1-CD1 3.73Å; Q261-L265 HydrophobicContact CG-CD1 4.36Å; Q261-L265 WeakPolarHBondContact O-CG 3.37Å; Q261-L265 PolarHBondContact O-N 3.42Å; K262-L265 PolarHBondContact O-N 2.83Å; L265-G267 VanDerWaalsContact C-N 3.31Å
266L97.8Very high98.1Very high15 Ų1534.7 Ų34.78%0.07921%0.209CC..THydrogen-bonded Turntrans-86.93.3177-69.8166.7000113.5R148 L153 I161 K262 S263 S264 F268 F274R148-L266 VanDerWaalsContact O-CD1 3.26Å; R148-L266 WeakPolarHBondContact O-CD1 3.34Å; R148-L266 WeakPolarHBondContact O-CD2 3.25Å; L153-L266 HydrophobicContact CD1-CD2 4.3Å; I161-L266 HydrophobicContact CD1-CD2 3.69Å; I161-L266 HydrophobicContact CD1-CG 3.98Å; K262-L266 HydrophobicContact CG-CD1 3.89Å; K262-L266 WeakPolarHBondContact O-CG 3.48Å; K262-L266 PolarHBondContact O-N 3.05Å; K262-L266 VanDerWaalsContact O-N 3.16Å; S263-L266 CarbonylContact O-C 3.56Å; S263-L266 PolarHBondContact O-N 3.48Å; S264-L266 PolarHBondContact O-N 2.87Å; L266-F268 HydrophobicContact CB-CD2 4.05Å; L266-F268 HydrophobicContact CB-CE2 4.37Å; L266-F268 WeakPolarHBondContact O-CD2 3.49Å; L266-F274 HydrophobicContact CD1-CD2 4.05Å; L266-F274 HydrophobicContact CD1-CE2 3.66Å; L266-F274 HydrophobicContact CD1-CZ 4.24Å
267G97.8Very high98.1Very high72 Ų7236 Ų3674%0.74221%0.214SC*.THydrogen-bonded Turntrans85.916.7175.600000115.5S263 S264 L265S263-G267 PolarHBondContact O-N 3Å; S264-G267 PolarHBondContact O-N 3.31Å; L265-G267 VanDerWaalsContact C-N 3.31Å
268F98.3Very high98.1Very high46 Ų4632.3 Ų32.320%0.20220%0.199CC..  trans-104.5143177.4-65.8-97.1000111.5S263 L266 T270 D273 F274 E277S263-F268 CarbonylContact C-O 3.56Å; S263-F268 PolarHBondContact O-N 3.36Å; L266-F268 HydrophobicContact CB-CD2 4.05Å; L266-F268 HydrophobicContact CB-CE2 4.37Å; L266-F268 WeakPolarHBondContact O-CD2 3.49Å; F268-T270 VanDerWaalsContact C-N 3.32Å; F268-T270 PolarHBondContact O-N 3.36Å; F268-D273 HydrophobicContact CD1-CB 4.27Å; F268-F274 HydrophobicContact CB-CB 4.03Å; F268-F274 HydrophobicContact CD1-CB 4.13Å; F268-F274 HydrophobicContact CD2-CB 4.01Å; F268-F274 AromaticContact CD2-CD2 3.82Å; F268-F274 HydrophobicContact CD2-CD2 3.82Å; F268-F274 HydrophobicContact CD2-CG 4.42Å; F268-F274 AromaticContact CE2-CD2 3.75Å; F268-F274 HydrophobicContact CE2-CD2 3.75Å; F268-F274 HydrophobicContact CG-CB 3.79Å; F268-F274 HydrophobicContact CG-CD2 4.44Å; F268-F274 HydrophobicContact CZ-CD2 4.29Å; F268-E277 HydrophobicContact CE1-CB 4.3Å
269S97.2Very high98.1Very high97 Ų9732.1 Ų32.168%0.67820%0.198SC*.SBendtrans-61.8-38.3176.435.80000113.2D273S269-D273 PolarHBondContact OG-OD2 2.97Å
270T98.6Very high98.1Very high24 Ų2432.4 Ų32.415%0.14720%0.2CC..SBendtrans-141.1161.9-176.570.70000110.9S263 F268 A272 D273 F274 T562S263-T270 WeakPolarHBondContact CB-O 3.19Å; F268-T270 VanDerWaalsContact C-N 3.32Å; F268-T270 PolarHBondContact O-N 3.36Å; T270-A272 VanDerWaalsContact C-N 3.28Å; T270-A272 PolarHBondContact OG1-N 3.24Å; T270-D273 PolarHBondContact O-N 2.95Å; T270-D273 VanDerWaalsContact OG1-CG 3.24Å; T270-D273 PolarHBondContact OG1-N 2.85Å; T270-D273 PolarHBondContact OG1-OD2 2.95Å; T270-F274 PolarHBondContact O-N 2.82Å; T270-T562 HydrophobicContact CG2-CG2 4.38Å
271H98.4Very high98Very high9 Ų931 Ų314%0.04219%0.187CC..Hα-helixtrans-65.2-36.5171.7178.873.7000111.1R259 S263 D273 F274 V275 H561 D602R259-H271 HydrophobicContact CB-CB 3.97Å; S263-H271 PolarHBondContact OG-N 3.09Å; H271-D273 PolarHBondContact O-N 3.07Å; H271-F274 WeakPolarHBondContact O-CB 3.34Å; H271-F274 PolarHBondContact O-N 3.42Å; H271-V275 WeakPolarHBondContact NE2-CG2 3.35Å; H271-V275 WeakPolarHBondContact O-CG2 3.44Å; H271-V275 PolarHBondContact O-N 2.83Å; H271-H561 HydrophobicContact CB-CB 4.34Å; H271-H561 AromaticContact CD2-CD2 3.41Å; H271-H561 PolarHBondContact CD2-CD2 2.82Å; H271-H561 VanDerWaalsContact CD2-CD2 3.41Å; H271-H561 AromaticContact CD2-CG 3.79Å; H271-H561 PolarHBondContact N-O 2.94Å; H271-D602 IonicContact CD2-OD2 3.19Å; H271-D602 IonicContact CE1-OD2 2.82Å; H271-D602 PolarHBondContact CE1-OD2 2.94Å; H271-D602 IonicContact NE2-OD2 2.91Å; H271-D602 PolarHBondContact NE2-OD2 3.38Å
272A98.6Very high98Very high0 Ų032.5 Ų32.50%019%0.193CC..Hα-helixtrans-59.3-47174.700000112.2T270 F274 V275 L276 A284 H561 T562 A603T270-A272 VanDerWaalsContact C-N 3.28Å; T270-A272 PolarHBondContact OG1-N 3.24Å; A272-F274 VanDerWaalsContact C-N 3.3Å; A272-F274 PolarHBondContact O-N 2.78Å; A272-V275 PolarHBondContact O-N 2.86Å; A272-V275 VanDerWaalsContact O-N 3.14Å; A272-L276 HydrophobicContact CB-CD1 4.2Å; A272-L276 VanDerWaalsContact O-CB 3.25Å; A272-L276 WeakPolarHBondContact O-CB 3.49Å; A272-L276 WeakPolarHBondContact O-CD1 3.41Å; A272-L276 WeakPolarHBondContact O-CG 3.32Å; A272-L276 PolarHBondContact O-N 2.81Å; A272-A284 HydrophobicContact CB-CB 3.92Å; A272-H561 HydrophobicContact CB-CB 4.27Å; A272-H561 PolarHBondContact N-O 2.66Å; A272-H561 VanDerWaalsContact N-O 3.12Å; A272-T562 HydrophobicContact CB-CG2 3.54Å; A272-A603 HydrophobicContact CB-CB 3.88Å
273D98.5Very high98Very high36 Ų3633.6 Ų33.619%0.19320%0.203CC..Hα-helixtrans-62.7-37.2177-64.4-52.8000112.2F268 S269 T270 H271 E277 A284F268-D273 HydrophobicContact CD1-CB 4.27Å; S269-D273 PolarHBondContact OG-OD2 2.97Å; T270-D273 PolarHBondContact O-N 2.95Å; T270-D273 VanDerWaalsContact OG1-CG 3.24Å; T270-D273 PolarHBondContact OG1-N 2.85Å; T270-D273 PolarHBondContact OG1-OD2 2.95Å; H271-D273 PolarHBondContact O-N 3.07Å; D273-E277 PolarHBondContact O-N 3.47Å; D273-A284 WeakPolarHBondContact OD1-CB 3.3Å; D273-A284 PolarHBondContact OD1-N 2.91Å
274F98.5Very high98Very high19 Ų1934.1 Ų34.18%0.08321%0.207CC..Hα-helixtrans-60.5-46.3172.4166.5-96.9000111.6R148 K262 L266 F268 T270 H271 A272R148-F274 HydrophobicContact CB-CE2 4Å; R148-F274 HydrophobicContact CB-CZ 4.44Å; R148-F274 HydrophobicContact CG-CE2 4.26Å; R148-F274 VanDerWaalsContact CZ-O 3.23Å; R148-F274 PolarHBondContact NH1-O 3.16Å; R148-F274 PolarHBondContact NH2-O 3.48Å; K262-F274 VanDerWaalsContact NZ-CZ 3.26Å; L266-F274 HydrophobicContact CD1-CD2 4.05Å; L266-F274 HydrophobicContact CD1-CE2 3.66Å; L266-F274 HydrophobicContact CD1-CZ 4.24Å; F268-F274 HydrophobicContact CB-CB 4.03Å; F268-F274 HydrophobicContact CD1-CB 4.13Å; F268-F274 HydrophobicContact CD2-CB 4.01Å; F268-F274 AromaticContact CD2-CD2 3.82Å; F268-F274 HydrophobicContact CD2-CD2 3.82Å; F268-F274 HydrophobicContact CD2-CG 4.42Å; F268-F274 AromaticContact CE2-CD2 3.75Å; F268-F274 HydrophobicContact CE2-CD2 3.75Å; F268-F274 HydrophobicContact CG-CB 3.79Å; F268-F274 HydrophobicContact CG-CD2 4.44Å; F268-F274 HydrophobicContact CZ-CD2 4.29Å; T270-F274 PolarHBondContact O-N 2.82Å; H271-F274 WeakPolarHBondContact O-CB 3.34Å; H271-F274 PolarHBondContact O-N 3.42Å; A272-F274 VanDerWaalsContact C-N 3.3Å; A272-F274 PolarHBondContact O-N 2.78Å
275V98.3Very high98Very high13 Ų1338.6 Ų38.68%0.07922%0.218CC..Hα-helixtrans-69.1-48.5-178.8173.40000111.1H271 A272 E277 M278 A603 Q604H271-V275 WeakPolarHBondContact NE2-CG2 3.35Å; H271-V275 WeakPolarHBondContact O-CG2 3.44Å; H271-V275 PolarHBondContact O-N 2.83Å; A272-V275 PolarHBondContact O-N 2.86Å; A272-V275 VanDerWaalsContact O-N 3.14Å; V275-E277 PolarHBondContact O-N 3.2Å; V275-M278 PolarHBondContact O-N 3.37Å; V275-A603 HydrophobicContact CB-CB 4.23Å; V275-A603 HydrophobicContact CG1-CB 4.46Å; V275-A603 HydrophobicContact CG2-CB 4.36Å; V275-Q604 HydrophobicContact CG1-CG 3.28Å
276L98.4Very high98Very high0 Ų041.5 Ų41.50%023%0.229CC..Hα-helixtrans-69.2-17.5-170.7-64.5171000114.1A272 M278 N279 K282 S283 A284 V287 Y606A272-L276 HydrophobicContact CB-CD1 4.2Å; A272-L276 VanDerWaalsContact O-CB 3.25Å; A272-L276 WeakPolarHBondContact O-CB 3.49Å; A272-L276 WeakPolarHBondContact O-CD1 3.41Å; A272-L276 WeakPolarHBondContact O-CG 3.32Å; A272-L276 PolarHBondContact O-N 2.81Å; L276-M278 PolarHBondContact O-N 3.2Å; L276-M278 VanDerWaalsContact O-N 3.15Å; L276-N279 HydrophobicContact CD2-CB 4.37Å; L276-N279 WeakPolarHBondContact O-CB 3.37Å; L276-N279 PolarHBondContact O-N 3.27Å; L276-K282 CarbonylContact O-C 3.52Å; L276-K282 WeakPolarHBondContact O-CA 3.49Å; L276-K282 PolarHBondContact O-N 3.46Å; L276-S283 VanDerWaalsContact CD1-C 3.44Å; L276-A284 HydrophobicContact CD1-CB 3.89Å; L276-A284 VanDerWaalsContact CD1-N 3.27Å; L276-V287 HydrophobicContact CD1-CG2 3.89Å; L276-V287 HydrophobicContact CD2-CG2 4Å; L276-Y606 HydrophobicContact CD2-CD1 4.43Å; L276-Y606 HydrophobicContact CD2-CE1 3.32Å; L276-Y606 WeakPolarHBondContact CD2-OH 3.34Å
277E98.4Very high98Very high52 Ų5240.8 Ų40.824%0.24323%0.225CC..THydrogen-bonded Turntrans-53-33.7172.5-174.5-172.8-132.100112.6K144 R148 F268 D273 V275K144-E277 WeakPolarHBondContact CE-OE1 3.29Å; K144-E277 WeakPolarHBondContact CE-OE2 3.36Å; K144-E277 IonicContact NZ-OE1 3.44Å; K144-E277 PolarHBondContact NZ-OE1 2.83Å; K144-E277 IonicContact NZ-OE2 3.81Å; K144-E277 PolarHBondContact NZ-OE2 3.26Å; R148-E277 IonicContact CZ-OE2 2.66Å; R148-E277 IonicContact NH1-OE2 2.66Å; R148-E277 PolarHBondContact NH1-OE2 2.81Å; F268-E277 HydrophobicContact CE1-CB 4.3Å; D273-E277 PolarHBondContact O-N 3.47Å; V275-E277 PolarHBondContact O-N 3.2Å
278M97.8Very high98Very high48 Ų4840 Ų4024%0.23621%0.211CC..THydrogen-bonded Turntrans-92.21.1-179.3-60-58.3-61.500113.5K144 R148 V275 L276 E493K144-M278 HydrophobicContact CG-CE 4.46Å; K144-M278 HydrophobicContact CG-SD 3.84Å; R148-M278 VanDerWaalsContact CZ-CG 3.43Å; V275-M278 PolarHBondContact O-N 3.37Å; L276-M278 PolarHBondContact O-N 3.2Å; L276-M278 VanDerWaalsContact O-N 3.15Å; M278-E493 WeakPolarHBondContact O-CG 3.16Å
279N98.1Very high98Very high1 Ų140.7 Ų40.71%0.00522%0.222CC..SBendtrans-98.1168.9-179.2-78.5123.8000112.2L276 A281 K282 R494 D495 Q604L276-N279 HydrophobicContact CD2-CB 4.37Å; L276-N279 WeakPolarHBondContact O-CB 3.37Å; L276-N279 PolarHBondContact O-N 3.27Å; N279-A281 VanDerWaalsContact C-N 3.31Å; N279-K282 WeakPolarHBondContact O-CD 3.18Å; N279-K282 WeakPolarHBondContact O-CE 3.44Å; N279-K282 PolarHBondContact O-NZ 3.27Å; N279-R494 PolarHBondContact ND2-N 3.17Å; N279-D495 WeakPolarHBondContact CA-OD1 3.45Å; N279-D495 VanDerWaalsContact CB-OD1 3.24Å; N279-D495 WeakPolarHBondContact CB-OD1 3.45Å; N279-D495 WeakPolarHBondContact CB-OD2 3.4Å; N279-D495 PolarHBondContact ND2-N 2.95Å; N279-D495 PolarHBondContact ND2-OD1 3.12Å; N279-Q604 PolarHBondContact ND2-NE2 2.86Å; N279-Q604 PolarHBondContact OD1-NE2 3.24Å
280M97.6Very high97.9Very high14 Ų1436.7 Ų36.77%0.06919%0.192CC..SBendtrans-68.2-31.6170.4-174-175.516900111.5K282 D495 F614 A650 A651 L654 P662M280-K282 VanDerWaalsContact C-N 3.33Å; M280-K282 PolarHBondContact O-N 2.87Å; M280-D495 WeakPolarHBondContact CA-OD2 3.43Å; M280-D495 WeakPolarHBondContact CB-OD2 3.17Å; M280-D495 VanDerWaalsContact N-CG 3.32Å; M280-D495 PolarHBondContact N-OD1 2.95Å; M280-D495 PolarHBondContact N-OD2 3.43Å; M280-F614 HydrophobicContact CE-CD2 3.97Å; M280-F614 HydrophobicContact CE-CE2 3.37Å; M280-F614 HydrophobicContact CE-CZ 4Å; M280-F614 HydrophobicContact SD-CD2 3.94Å; M280-F614 HydrophobicContact SD-CE2 3.59Å; M280-F614 VanDerWaalsContact SD-CE2 3.59Å; M280-A650 HydrophobicContact CG-CB 4.45Å; M280-A650 HydrophobicContact SD-CB 4.06Å; M280-A651 HydrophobicContact CE-CB 4.06Å; M280-A651 HydrophobicContact CG-CB 4.49Å; M280-L654 HydrophobicContact CE-CD1 3.62Å; M280-L654 HydrophobicContact SD-CD1 3.98Å; M280-P662 HydrophobicContact CE-CG 3.99Å
281A97.4Very high97.9Very high0 Ų035.6 Ų35.60%019%0.185CC..SBendtrans-70.3-23.7177.900000114.4N279 S283 K286 V287 D495 Y606 W610N279-A281 VanDerWaalsContact C-N 3.31Å; A281-S283 PolarHBondContact O-N 3.38Å; A281-K286 WeakPolarHBondContact O-CD 3.37Å; A281-V287 HydrophobicContact CB-CG2 3.73Å; A281-D495 PolarHBondContact N-OD2 3.39Å; A281-Y606 HydrophobicContact CB-CE2 3.73Å; A281-Y606 WeakPolarHBondContact CB-OH 3.05Å; A281-W610 HydrophobicContact CB-CD2 4.49Å; A281-W610 HydrophobicContact CB-CE3 4.39Å; A281-W610 HydrophobicContact CB-CH2 3.77Å; A281-W610 HydrophobicContact CB-CZ2 3.86Å; A281-W610 HydrophobicContact CB-CZ3 4.03Å
282K96.8Very high97.8Very high103 Ų10339.6 Ų39.645%0.44820%0.204SC..  trans62.6-24.8175.9-54.5-65.8172.7-159.60118L276 N279 M280L276-K282 CarbonylContact O-C 3.52Å; L276-K282 WeakPolarHBondContact O-CA 3.49Å; L276-K282 PolarHBondContact O-N 3.46Å; N279-K282 WeakPolarHBondContact O-CD 3.18Å; N279-K282 WeakPolarHBondContact O-CE 3.44Å; N279-K282 PolarHBondContact O-NZ 3.27Å; M280-K282 VanDerWaalsContact C-N 3.33Å; M280-K282 PolarHBondContact O-N 2.87Å
283S97.7Very high97.6Very high41 Ų4142.2 Ų42.229%0.28722%0.218SC..SBendtrans-155150-174.768.10000114.1L276 A281 K285 K286 V287L276-S283 VanDerWaalsContact CD1-C 3.44Å; A281-S283 PolarHBondContact O-N 3.38Å; S283-K285 PolarHBondContact O-N 2.92Å; S283-K286 PolarHBondContact O-N 3.43Å; S283-K286 WeakPolarHBondContact OG-CB 3.26Å; S283-K286 PolarHBondContact OG-N 3.45Å; S283-V287 PolarHBondContact O-N 2.96Å
284A97.8Very high97.3Very high11 Ų1140.5 Ų40.59%0.09121%0.209CC..Hα-helixtrans-63.5-32.4178.900000112.1A272 D273 L276 V287 A288 T562A272-A284 HydrophobicContact CB-CB 3.92Å; D273-A284 WeakPolarHBondContact OD1-CB 3.3Å; D273-A284 PolarHBondContact OD1-N 2.91Å; L276-A284 HydrophobicContact CD1-CB 3.89Å; L276-A284 VanDerWaalsContact CD1-N 3.27Å; A284-V287 PolarHBondContact O-N 3.31Å; A284-A288 WeakPolarHBondContact O-CB 3.1Å; A284-A288 PolarHBondContact O-N 3.43Å; A284-T562 HydrophobicContact CB-CG2 4.06Å
285K97.9Very high97.1Very high166 Ų16640.2 Ų40.272%0.72221%0.209SC*.Hα-helixtrans-61.3-44.8175.3-174.8179.1178.3-178.10112S283 V287 A288 S289S283-K285 PolarHBondContact O-N 2.92Å; K285-V287 VanDerWaalsContact C-N 3.33Å; K285-V287 PolarHBondContact O-N 3.27Å; K285-A288 PolarHBondContact O-N 3.14Å; K285-S289 PolarHBondContact O-N 2.6Å; K285-S289 PolarHBondContact O-OG 2.92Å
286K97.3Very high97Very high105 Ų10546.3 Ų46.346%0.45723%0.231SC..Hα-helixtrans-64.5-40.7179.3-163.8-177-171.6-173.30111A281 S283 F290 W610A281-K286 WeakPolarHBondContact O-CD 3.37Å; S283-K286 PolarHBondContact O-N 3.43Å; S283-K286 WeakPolarHBondContact OG-CB 3.26Å; S283-K286 PolarHBondContact OG-N 3.45Å; K286-F290 WeakPolarHBondContact O-CB 3.2Å; K286-F290 PolarHBondContact O-N 2.89Å; K286-W610 HydrophobicContact CD-CH2 3.9Å; K286-W610 HydrophobicContact CG-CH2 4.21Å
287V98.3Very high96.7Very high0 Ų050 Ų500%025%0.247CC..Hα-helixtrans-63.7-45.5175177.70000111.3L276 A281 S283 A284 K285 S289 F290 L291 Q558 Y606L276-V287 HydrophobicContact CD1-CG2 3.89Å; L276-V287 HydrophobicContact CD2-CG2 4Å; A281-V287 HydrophobicContact CB-CG2 3.73Å; S283-V287 PolarHBondContact O-N 2.96Å; A284-V287 PolarHBondContact O-N 3.31Å; K285-V287 VanDerWaalsContact C-N 3.33Å; K285-V287 PolarHBondContact O-N 3.27Å; V287-S289 PolarHBondContact O-N 3.06Å; V287-F290 WeakPolarHBondContact O-CB 3.4Å; V287-F290 PolarHBondContact O-N 3.26Å; V287-L291 HydrophobicContact CG1-CD1 3.95Å; V287-L291 HydrophobicContact CG1-CG 4.33Å; V287-L291 WeakPolarHBondContact O-CG 3.37Å; V287-L291 PolarHBondContact O-N 3.21Å; V287-Q558 HydrophobicContact CG1-CG 3.82Å; V287-Y606 HydrophobicContact CB-CD2 4.4Å; V287-Y606 HydrophobicContact CB-CG 4.39Å; V287-Y606 HydrophobicContact CG1-CD1 3.69Å; V287-Y606 HydrophobicContact CG1-CD2 3.78Å; V287-Y606 HydrophobicContact CG1-CE1 4.31Å; V287-Y606 HydrophobicContact CG1-CE2 4.38Å; V287-Y606 HydrophobicContact CG1-CG 3.39Å; V287-Y606 HydrophobicContact CG2-CD1 4.04Å; V287-Y606 HydrophobicContact CG2-CD2 3.85Å; V287-Y606 HydrophobicContact CG2-CE1 3.8Å; V287-Y606 HydrophobicContact CG2-CE2 3.59Å; V287-Y606 HydrophobicContact CG2-CG 4.08Å
288A98.1Very high96.4Very high54 Ų5447.5 Ų47.545%0.44624%0.235SC..Hα-helixtrans-60.5-45.8178.100000112A284 K285 L291 E292A284-A288 WeakPolarHBondContact O-CB 3.1Å; A284-A288 PolarHBondContact O-N 3.43Å; K285-A288 PolarHBondContact O-N 3.14Å; A288-L291 PolarHBondContact O-N 2.94Å; A288-E292 WeakPolarHBondContact O-CB 3.34Å; A288-E292 PolarHBondContact O-N 3.35Å
289S97.6Very high96.3Very high62 Ų6250.5 Ų50.543%0.43425%0.247SC..Hα-helixtrans-61.1-44.8175-66.70000112.1K285 V287 L291 E292 D293K285-S289 PolarHBondContact O-N 2.6Å; K285-S289 PolarHBondContact O-OG 2.92Å; V287-S289 PolarHBondContact O-N 3.06Å; S289-L291 PolarHBondContact O-N 3.38Å; S289-E292 PolarHBondContact O-N 3.07Å; S289-D293 WeakPolarHBondContact O-CB 3.29Å; S289-D293 PolarHBondContact O-N 3.14Å
290F96.5Very high96.1Very high12 Ų1254.1 Ų54.15%0.05327%0.271CS..Hα-helixtrans-56-51.8176.2168.3-102.9000112.3K286 V287 E292 L294 L609 W610 V613 Q664K286-F290 WeakPolarHBondContact O-CB 3.2Å; K286-F290 PolarHBondContact O-N 2.89Å; V287-F290 WeakPolarHBondContact O-CB 3.4Å; V287-F290 PolarHBondContact O-N 3.26Å; F290-E292 PolarHBondContact O-N 3.36Å; F290-L294 HydrophobicContact CE1-CD2 4.44Å; F290-L294 HydrophobicContact CZ-CD2 4.04Å; F290-L294 WeakPolarHBondContact O-CB 3.45Å; F290-L294 PolarHBondContact O-N 3.36Å; F290-L609 HydrophobicContact CE1-CB 4.08Å; F290-L609 HydrophobicContact CZ-CB 4.2Å; F290-W610 HydrophobicContact CB-CE3 4.28Å; F290-W610 HydrophobicContact CB-CZ3 3.96Å; F290-W610 AromaticContact CD1-CE3 3.89Å; F290-W610 HydrophobicContact CD1-CE3 3.89Å; F290-W610 HydrophobicContact CD1-CZ3 4.43Å; F290-W610 HydrophobicContact CD2-CE3 4Å; F290-W610 HydrophobicContact CD2-CZ3 4.17Å; F290-W610 HydrophobicContact CE1-CB 4.38Å; F290-W610 HydrophobicContact CE1-CE3 4.22Å; F290-W610 HydrophobicContact CE2-CE3 4.33Å; F290-W610 AromaticContact CG-CE3 3.78Å; F290-W610 HydrophobicContact CG-CE3 3.78Å; F290-W610 AromaticContact CG-CZ3 3.93Å; F290-W610 HydrophobicContact CG-CZ3 3.93Å; F290-W610 HydrophobicContact CZ-CB 4.45Å; F290-W610 HydrophobicContact CZ-CE3 4.43Å; F290-V613 HydrophobicContact CE2-CG2 4.01Å; F290-V613 HydrophobicContact CZ-CG2 4.02Å; F290-Q664 VanDerWaalsContact CD2-NE2 3.33Å
291L97.1Very high96Very high1 Ų154.8 Ų54.81%0.00527%0.274CS..Hα-helixtrans-67.5-35.7-178.4-66.7175.5000112.5V287 A288 S289 S295 A554 K555 Q558 L609V287-L291 HydrophobicContact CG1-CD1 3.95Å; V287-L291 HydrophobicContact CG1-CG 4.33Å; V287-L291 WeakPolarHBondContact O-CG 3.37Å; V287-L291 PolarHBondContact O-N 3.21Å; A288-L291 PolarHBondContact O-N 2.94Å; S289-L291 PolarHBondContact O-N 3.38Å; L291-S295 WeakPolarHBondContact O-CB 3.4Å; L291-S295 PolarHBondContact O-N 2.84Å; L291-A554 HydrophobicContact CD1-CB 3.74Å; L291-A554 HydrophobicContact CD2-CB 3.81Å; L291-A554 HydrophobicContact CG-CB 4.46Å; L291-K555 HydrophobicContact CB-CG 4.24Å; L291-K555 HydrophobicContact CD1-CG 3.94Å; L291-Q558 HydrophobicContact CD1-CG 4.33Å; L291-L609 HydrophobicContact CD2-CD1 4.28Å
292E96.4Very high95.9Very high94 Ų9454.8 Ų54.844%0.43927%0.274SS..Hα-helixtrans-67.5-47.8177.1-173.557.1-143.600111.8A288 S289 F290 L294 S295 R296 K555A288-E292 WeakPolarHBondContact O-CB 3.34Å; A288-E292 PolarHBondContact O-N 3.35Å; S289-E292 PolarHBondContact O-N 3.07Å; F290-E292 PolarHBondContact O-N 3.36Å; E292-L294 VanDerWaalsContact C-N 3.34Å; E292-L294 PolarHBondContact O-N 3.3Å; E292-S295 PolarHBondContact O-N 3.02Å; E292-R296 WeakPolarHBondContact O-CB 3.29Å; E292-R296 PolarHBondContact O-N 3.22Å; E292-K555 IonicContact OE2-NZ 3.65Å; E292-K555 PolarHBondContact OE2-NZ 2.67Å
293D94Very high95.9Very high55 Ų5554.3 Ų54.329%0.29427%0.273SS..Hα-helixtrans-63.4-41.7178.9-75.1-25.5000111.5S289 R296 K297S289-D293 WeakPolarHBondContact O-CB 3.29Å; S289-D293 PolarHBondContact O-N 3.14Å; D293-R296 PolarHBondContact O-N 3.11Å; D293-R296 IonicContact OD1-CZ 3.6Å; D293-R296 IonicContact OD1-NH1 3.16Å; D293-R296 PolarHBondContact OD1-NH1 3.42Å; D293-R296 IonicContact OD1-NH2 3.53Å; D293-R296 PolarHBondContact OD1-NH2 3.4Å; D293-K297 VanDerWaalsContact O-CG 3.3Å; D293-K297 WeakPolarHBondContact O-CG 3.33Å; D293-K297 PolarHBondContact O-N 3.26Å; D293-K297 VanDerWaalsContact O-N 3.11Å
294L92.8Very high95.8Very high0 Ų058.2 Ų58.20%029%0.287CS..Hα-helixtrans-65.7-43177.2-164.460.8000111.7F290 E292 R296 K297 L298 I551 L609 F667 L668F290-L294 HydrophobicContact CE1-CD2 4.44Å; F290-L294 HydrophobicContact CZ-CD2 4.04Å; F290-L294 WeakPolarHBondContact O-CB 3.45Å; F290-L294 PolarHBondContact O-N 3.36Å; E292-L294 VanDerWaalsContact C-N 3.34Å; E292-L294 PolarHBondContact O-N 3.3Å; L294-R296 VanDerWaalsContact C-N 3.34Å; L294-R296 PolarHBondContact O-N 3.48Å; L294-K297 PolarHBondContact O-N 3.31Å; L294-L298 HydrophobicContact CD1-CD1 4.34Å; L294-L298 HydrophobicContact CG-CD1 3.93Å; L294-L298 WeakPolarHBondContact O-CB 3.38Å; L294-L298 WeakPolarHBondContact O-CG 3.37Å; L294-L298 PolarHBondContact O-N 2.87Å; L294-I551 HydrophobicContact CB-CD1 4.12Å; L294-I551 HydrophobicContact CD2-CD1 4.16Å; L294-I551 HydrophobicContact CD2-CG1 4.48Å; L294-I551 HydrophobicContact CG-CD1 3.99Å; L294-L609 HydrophobicContact CD2-CB 4.49Å; L294-L609 HydrophobicContact CD2-CD1 4.27Å; L294-L609 HydrophobicContact CD2-CD2 4.49Å; L294-F667 HydrophobicContact CD1-CD1 4.1Å; L294-F667 HydrophobicContact CD1-CE1 3.7Å; L294-L668 HydrophobicContact CD1-CD2 4.2Å
295S94.8Very high95.7Very high12 Ų1258.5 Ų58.58%0.08429%0.287CS..Hα-helixtrans-58.9-44.7175.5-172.60000111.6L291 E292 K297 L298 K299L291-S295 WeakPolarHBondContact O-CB 3.4Å; L291-S295 PolarHBondContact O-N 2.84Å; E292-S295 PolarHBondContact O-N 3.02Å; S295-K297 PolarHBondContact O-N 3.1Å; S295-L298 PolarHBondContact O-N 3.05Å; S295-K299 WeakPolarHBondContact O-CB 3.42Å; S295-K299 PolarHBondContact O-N 3.15Å
296R95.2Very high95.7Very high142 Ų14252.6 Ų52.654%0.53626%0.26SS..Hα-helixtrans-61.4-44.3178.5-177.4178.365.8-115.80.3111.4E292 D293 L294E292-R296 WeakPolarHBondContact O-CB 3.29Å; E292-R296 PolarHBondContact O-N 3.22Å; D293-R296 PolarHBondContact O-N 3.11Å; D293-R296 IonicContact OD1-CZ 3.6Å; D293-R296 IonicContact OD1-NH1 3.16Å; D293-R296 PolarHBondContact OD1-NH1 3.42Å; D293-R296 IonicContact OD1-NH2 3.53Å; D293-R296 PolarHBondContact OD1-NH2 3.4Å; L294-R296 VanDerWaalsContact C-N 3.34Å; L294-R296 PolarHBondContact O-N 3.48Å
297K92.9Very high95.7Very high76 Ų7650.4 Ų50.433%0.3326%0.258SS..Hα-helixtrans-69.4-34.5-179-69.3172.6-176.4177.90112.9D293 L294 S295 P300 L668 L673D293-K297 VanDerWaalsContact O-CG 3.3Å; D293-K297 WeakPolarHBondContact O-CG 3.33Å; D293-K297 PolarHBondContact O-N 3.26Å; D293-K297 VanDerWaalsContact O-N 3.11Å; L294-K297 PolarHBondContact O-N 3.31Å; S295-K297 PolarHBondContact O-N 3.1Å; K297-P300 WeakPolarHBondContact O-CD 3.19Å; K297-L668 HydrophobicContact CB-CD2 4.09Å; K297-L668 HydrophobicContact CD-CD1 3.66Å; K297-L668 HydrophobicContact CD-CD2 3.69Å; K297-L668 HydrophobicContact CD-CG 4.34Å; K297-L673 HydrophobicContact CB-CD1 4.3Å; K297-L673 WeakPolarHBondContact O-CD1 3.36Å
298L93.3Very high95.6Very high0 Ų051 Ų510%026%0.261CS..Hα-helixtrans-84.2-14.8179.3-72.6167.4000114.2L294 S295 L301 G302 N547 L548 I551 L673L294-L298 HydrophobicContact CD1-CD1 4.34Å; L294-L298 HydrophobicContact CG-CD1 3.93Å; L294-L298 WeakPolarHBondContact O-CB 3.38Å; L294-L298 WeakPolarHBondContact O-CG 3.37Å; L294-L298 PolarHBondContact O-N 2.87Å; S295-L298 PolarHBondContact O-N 3.05Å; L298-L301 HydrophobicContact CD2-CD2 4.47Å; L298-L301 PolarHBondContact O-N 3Å; L298-G302 PolarHBondContact O-N 2.83Å; L298-N547 HydrophobicContact CD1-CB 3.54Å; L298-L548 HydrophobicContact CB-CD2 3.96Å; L298-L548 HydrophobicContact CB-CG 4.13Å; L298-I551 HydrophobicContact CD1-CD1 3.88Å; L298-L673 HydrophobicContact CD2-CD1 3.99Å; L298-L673 HydrophobicContact CG-CD1 4.49Å
299K94.4Very high95.6Very high112 Ų11248.5 Ų48.549%0.48724%0.24SC..Hα-helixtrans-54.1-46.9-176.8179.6176.1176.3178.30113.8S295 L301 G302 E303S295-K299 WeakPolarHBondContact O-CB 3.42Å; S295-K299 PolarHBondContact O-N 3.15Å; K299-L301 VanDerWaalsContact C-N 3.34Å; K299-L301 PolarHBondContact O-N 3.13Å; K299-G302 PolarHBondContact O-N 2.96Å; K299-E303 WeakPolarHBondContact CE-OE1 3.37Å; K299-E303 WeakPolarHBondContact O-CG 3.31Å; K299-E303 PolarHBondContact O-N 3.35Å
300P94.8Very high95.6Very high77 Ų7748.1 Ų48.150%0.523%0.233SC..Hα-helixtrans-60.8-42179.1-2334.7000112.6K297 E303 E304K297-P300 WeakPolarHBondContact O-CD 3.19Å; P300-E303 PolarHBondContact O-N 3.3Å; P300-E304 PolarHBondContact O-N 3.16Å
301L94.4Very high95.7Very high28 Ų2852 Ų5215%0.14725%0.251CS..Hα-helixtrans-65.2-41.4177.8-176.961.6000111.5L298 K299 E303 E304 E305 T543 L673L298-L301 HydrophobicContact CD2-CD2 4.47Å; L298-L301 PolarHBondContact O-N 3Å; K299-L301 VanDerWaalsContact C-N 3.34Å; K299-L301 PolarHBondContact O-N 3.13Å; L301-E303 VanDerWaalsContact C-N 3.34Å; L301-E303 PolarHBondContact O-N 3.46Å; L301-E304 PolarHBondContact O-N 3Å; L301-E305 HydrophobicContact CD1-CG 4.41Å; L301-E305 WeakPolarHBondContact O-CB 3.36Å; L301-E305 WeakPolarHBondContact O-CG 3.44Å; L301-E305 PolarHBondContact O-N 3.09Å; L301-T543 HydrophobicContact CD2-CG2 3.71Å; L301-L673 HydrophobicContact CB-CD2 4.35Å
302G96Very high95.7Very high0 Ų053.1 Ų53.10%026%0.257CS..Hα-helixtrans-63.7-36.2174.200000113.7L298 K299 R306L298-G302 PolarHBondContact O-N 2.83Å; K299-G302 PolarHBondContact O-N 2.96Å; G302-R306 WeakPolarHBondContact O-CB 3.38Å; G302-R306 WeakPolarHBondContact O-CG 3.32Å; G302-R306 PolarHBondContact O-N 2.86Å; G302-R306 PolarHBondContact O-NH1 2.81Å
303E96.3Very high95.8Very high92 Ų9249 Ų4943%0.4324%0.238SC..Hα-helixtrans-64.8-44.8174.2-76.3171.7-179.500111.9K299 P300 L301 S307K299-E303 WeakPolarHBondContact CE-OE1 3.37Å; K299-E303 WeakPolarHBondContact O-CG 3.31Å; K299-E303 PolarHBondContact O-N 3.35Å; P300-E303 PolarHBondContact O-N 3.3Å; L301-E303 VanDerWaalsContact C-N 3.34Å; L301-E303 PolarHBondContact O-N 3.46Å; E303-S307 PolarHBondContact O-N 3.24Å; E303-S307 VanDerWaalsContact O-N 3.1Å
304E95.8Very high96Very high123 Ų12350.3 Ų50.358%0.57524%0.242SC*.Hα-helixtrans-59.6-54174.8-175.5-178.2167.300110.9P300 L301 R306 S307 V308P300-E304 PolarHBondContact O-N 3.16Å; L301-E304 PolarHBondContact O-N 3Å; E304-R306 PolarHBondContact O-N 2.89Å; E304-S307 VanDerWaalsContact O-CB 3.31Å; E304-S307 WeakPolarHBondContact O-CB 3.44Å; E304-S307 PolarHBondContact O-N 3.08Å; E304-V308 WeakPolarHBondContact O-CG2 3.42Å; E304-V308 PolarHBondContact O-N 3.18Å
305E96.6Very high96.2Very high17 Ų1756.8 Ų56.88%0.07927%0.27CS..Hα-helixtrans-60.5-41.4-178.5-72.1177.7-178.100112.1L301 S307 V308 L309 N542 T543 G544 L545L301-E305 HydrophobicContact CD1-CG 4.41Å; L301-E305 WeakPolarHBondContact O-CB 3.36Å; L301-E305 WeakPolarHBondContact O-CG 3.44Å; L301-E305 PolarHBondContact O-N 3.09Å; E305-S307 VanDerWaalsContact C-N 3.32Å; E305-S307 PolarHBondContact O-N 2.82Å; E305-V308 WeakPolarHBondContact O-CB 3.27Å; E305-V308 PolarHBondContact O-N 3.29Å; E305-L309 WeakPolarHBondContact O-CG 3.44Å; E305-L309 PolarHBondContact O-N 2.84Å; E305-N542 VanDerWaalsContact OE1-C 3.3Å; E305-N542 WeakPolarHBondContact OE1-CA 3.43Å; E305-N542 VanDerWaalsContact OE2-C 3.24Å; E305-N542 WeakPolarHBondContact OE2-CA 3.5Å; E305-T543 PolarHBondContact OE1-N 3Å; E305-T543 VanDerWaalsContact OE1-N 3.08Å; E305-G544 PolarHBondContact OE1-N 2.73Å; E305-G544 WeakPolarHBondContact OE2-CA 3.37Å; E305-G544 PolarHBondContact OE2-N 3.35Å; E305-L545 HydrophobicContact CB-CD1 3.74Å; E305-L545 HydrophobicContact CB-CG 3.87Å; E305-L545 WeakPolarHBondContact OE2-CG 3.39Å; E305-L545 PolarHBondContact OE2-N 3.43Å
306R97.8Very high96.3Very high43 Ų4357.1 Ų57.116%0.16227%0.271CS..Hα-helixtrans-60.2-41.4173.6-78-169.8-58.3-86.3-2.4112.3G302 E304 V308 L309 L310 L328 L545 L580 G581 I582G302-R306 WeakPolarHBondContact O-CB 3.38Å; G302-R306 WeakPolarHBondContact O-CG 3.32Å; G302-R306 PolarHBondContact O-N 2.86Å; G302-R306 PolarHBondContact O-NH1 2.81Å; E304-R306 PolarHBondContact O-N 2.89Å; R306-V308 VanDerWaalsContact C-N 3.26Å; R306-V308 PolarHBondContact O-N 3.19Å; R306-L309 PolarHBondContact O-N 3.02Å; R306-L310 WeakPolarHBondContact O-CB 3.19Å; R306-L310 PolarHBondContact O-N 3.09Å; R306-L328 HydrophobicContact CB-CD1 4.14Å; R306-L328 HydrophobicContact CG-CD1 4.23Å; R306-L328 WeakPolarHBondContact O-CD1 3.43Å; R306-L545 HydrophobicContact CG-CD1 4.15Å; R306-L545 HydrophobicContact CG-CD2 3.59Å; R306-L545 HydrophobicContact CG-CG 4.46Å; R306-L580 WeakPolarHBondContact CD-O 3.39Å; R306-L580 PolarHBondContact NH1-O 2.92Å; R306-G581 WeakPolarHBondContact CD-O 3.48Å; R306-I582 HydrophobicContact CG-CD1 4.38Å; R306-I582 HydrophobicContact CG-CG1 4.48Å
307S97.4Very high96.4Very high59 Ų5950.8 Ų50.841%0.41325%0.248SC..Hα-helixtrans-59.7-42.3177-168.80000110.9E303 E304 E305 L310 Q311E303-S307 PolarHBondContact O-N 3.24Å; E303-S307 VanDerWaalsContact O-N 3.1Å; E304-S307 VanDerWaalsContact O-CB 3.31Å; E304-S307 WeakPolarHBondContact O-CB 3.44Å; E304-S307 PolarHBondContact O-N 3.08Å; E305-S307 VanDerWaalsContact C-N 3.32Å; E305-S307 PolarHBondContact O-N 2.82Å; S307-L310 PolarHBondContact O-N 3.41Å; S307-Q311 VanDerWaalsContact O-CG 3.28Å; S307-Q311 WeakPolarHBondContact O-CG 3.21Å; S307-Q311 PolarHBondContact O-N 3.31Å
308V96.5Very high96.6Very high12 Ų1253.2 Ų53.27%0.07326%0.261CS..Hα-helixtrans-61.2-50.6175.3171.90000111.8E304 E305 R306 L310 Q311 L312 V340 R344E304-V308 WeakPolarHBondContact O-CG2 3.42Å; E304-V308 PolarHBondContact O-N 3.18Å; E305-V308 WeakPolarHBondContact O-CB 3.27Å; E305-V308 PolarHBondContact O-N 3.29Å; R306-V308 VanDerWaalsContact C-N 3.26Å; R306-V308 PolarHBondContact O-N 3.19Å; V308-L310 VanDerWaalsContact C-N 3.29Å; V308-L310 PolarHBondContact O-N 3Å; V308-Q311 PolarHBondContact O-N 2.88Å; V308-L312 HydrophobicContact CG1-CD1 4.25Å; V308-L312 WeakPolarHBondContact O-CG 3.36Å; V308-L312 PolarHBondContact O-N 3.08Å; V308-V340 HydrophobicContact CG1-CG2 3.67Å; V308-R344 VanDerWaalsContact CG1-NH2 3.28Å; V308-R344 VanDerWaalsContact CG2-CZ 3.45Å; V308-R344 VanDerWaalsContact CG2-NH2 3.26Å
309L97.6Very high96.8Very high1 Ų160.7 Ų60.71%0.00529%0.293CS..Hα-helixtrans-61.6-39.6-179.8-60.8-164.9000111.4E305 R306 L312 K313 L328 F336 M337 V340 L545E305-L309 WeakPolarHBondContact O-CG 3.44Å; E305-L309 PolarHBondContact O-N 2.84Å; R306-L309 PolarHBondContact O-N 3.02Å; L309-L312 PolarHBondContact O-N 3.35Å; L309-K313 PolarHBondContact O-N 3.39Å; L309-L328 HydrophobicContact CB-CD1 3.76Å; L309-L328 HydrophobicContact CB-CD2 3.89Å; L309-L328 HydrophobicContact CB-CG 4.49Å; L309-F336 HydrophobicContact CB-CB 4.12Å; L309-F336 HydrophobicContact CD1-CB 4.45Å; L309-F336 HydrophobicContact CD2-CB 3.82Å; L309-F336 WeakPolarHBondContact CD2-O 3.5Å; L309-F336 HydrophobicContact CG-CB 4.33Å; L309-M337 HydrophobicContact CD1-CG 4.03Å; L309-V340 HydrophobicContact CD2-CG2 3.43Å; L309-V340 VanDerWaalsContact CD2-CG2 3.43Å; L309-L545 HydrophobicContact CD1-CD1 3.61Å; L309-L545 HydrophobicContact CG-CD1 4.22Å
310L97.9Very high96.9Very high54 Ų5459.6 Ų59.628%0.28329%0.286SS..Hα-helixtrans-66.5-39.7179.5-171.765.2000112R306 S307 V308 K313 Q314 F324 L328R306-L310 WeakPolarHBondContact O-CB 3.19Å; R306-L310 PolarHBondContact O-N 3.09Å; S307-L310 PolarHBondContact O-N 3.41Å; V308-L310 VanDerWaalsContact C-N 3.29Å; V308-L310 PolarHBondContact O-N 3Å; L310-K313 PolarHBondContact O-N 3.17Å; L310-Q314 PolarHBondContact O-N 3.25Å; L310-F324 HydrophobicContact CD1-CE2 3.82Å; L310-F324 HydrophobicContact CD1-CZ 3.75Å; L310-F324 HydrophobicContact CG-CZ 4.1Å; L310-L328 HydrophobicContact CB-CD1 4.37Å; L310-L328 HydrophobicContact CB-CG 4.27Å; L310-L328 HydrophobicContact CD1-CG 4.14Å
311Q97.6Very high97Very high93 Ų9359.2 Ų59.244%0.43530%0.296SS..Hα-helixtrans-64.5-39.6173.8-71.3172.222.700112.2S307 V308 Q314 K315S307-Q311 VanDerWaalsContact O-CG 3.28Å; S307-Q311 WeakPolarHBondContact O-CG 3.21Å; S307-Q311 PolarHBondContact O-N 3.31Å; V308-Q311 PolarHBondContact O-N 2.88Å; Q311-Q314 PolarHBondContact O-N 2.95Å; Q311-K315 WeakPolarHBondContact O-CG 3.5Å; Q311-K315 PolarHBondContact O-N 2.99Å; Q311-K315 VanDerWaalsContact O-N 3.12Å
312L97.3Very high97.1Very high25 Ų2561.3 Ų61.313%0.13130%0.304CS..Hα-helixtrans-64.5-42.7174.4-70.7173.9000111.2V308 L309 Q314 K315 E316 F336 Q339 V340V308-L312 HydrophobicContact CG1-CD1 4.25Å; V308-L312 WeakPolarHBondContact O-CG 3.36Å; V308-L312 PolarHBondContact O-N 3.08Å; L309-L312 PolarHBondContact O-N 3.35Å; L312-Q314 PolarHBondContact O-N 3.48Å; L312-K315 PolarHBondContact O-N 3.24Å; L312-E316 WeakPolarHBondContact O-CB 3.39Å; L312-E316 PolarHBondContact O-N 3.21Å; L312-F336 HydrophobicContact CB-CD1 3.74Å; L312-F336 HydrophobicContact CB-CE1 4.27Å; L312-Q339 HydrophobicContact CD1-CB 4.21Å; L312-V340 HydrophobicContact CD1-CG2 3.52Å
313K98.3Very high97.2Very high9 Ų967.6 Ų67.64%0.03934%0.342CS..Hα-helixtrans-58.3-47.6174.7-176.5177.8172.4178.20112L309 L310 K315 E316 C317 F324 D325 Q327 L328 H329 D332 F336L309-K313 PolarHBondContact O-N 3.39Å; L310-K313 PolarHBondContact O-N 3.17Å; K313-K315 PolarHBondContact O-N 2.93Å; K313-E316 PolarHBondContact O-N 3.01Å; K313-C317 WeakPolarHBondContact O-CB 3.41Å; K313-C317 PolarHBondContact O-N 2.66Å; K313-C317 PolarHBondContact O-SG 3.49Å; K313-C317 VanDerWaalsContact O-SG 3.39Å; K313-F324 HydrophobicContact CB-CE2 4.29Å; K313-F324 HydrophobicContact CD-CD2 4.35Å; K313-F324 HydrophobicContact CD-CE2 4.15Å; K313-F324 HydrophobicContact CG-CD2 4.07Å; K313-F324 HydrophobicContact CG-CE2 4.01Å; K313-D325 IonicContact NZ-OD1 2.72Å; K313-D325 PolarHBondContact NZ-OD1 3.47Å; K313-D325 IonicContact NZ-OD2 3.23Å; K313-D325 PolarHBondContact NZ-OD2 3.42Å; K313-Q327 WeakPolarHBondContact CD-O 3.27Å; K313-Q327 WeakPolarHBondContact CE-O 3.25Å; K313-Q327 PolarHBondContact NZ-O 3.11Å; K313-L328 HydrophobicContact CD-CD2 4.36Å; K313-H329 PolarHBondContact NZ-CD2 3.49Å; K313-H329 VanDerWaalsContact NZ-CD2 3.34Å; K313-D332 WeakPolarHBondContact CE-OD2 3.47Å; K313-D332 IonicContact NZ-OD2 3.58Å; K313-D332 PolarHBondContact NZ-OD2 2.88Å; K313-F336 VanDerWaalsContact CA-CE1 3.49Å; K313-F336 HydrophobicContact CB-CD2 4.11Å; K313-F336 HydrophobicContact CB-CE1 4.09Å; K313-F336 HydrophobicContact CB-CE2 3.53Å; K313-F336 HydrophobicContact CB-CZ 3.54Å; K313-F336 HydrophobicContact CD-CE2 4.11Å; K313-F336 HydrophobicContact CG-CE2 3.66Å; K313-F336 HydrophobicContact CG-CZ 3.75Å
314Q98.2Very high97.2Very high82 Ų8266.5 Ų66.538%0.38334%0.336SS..Hα-helixtrans-56.8-51.4177.7-176.7180-7.600111.4L310 Q311 L312 E316 C317 E318 F324L310-Q314 PolarHBondContact O-N 3.25Å; Q311-Q314 PolarHBondContact O-N 2.95Å; L312-Q314 PolarHBondContact O-N 3.48Å; Q314-E316 PolarHBondContact O-N 3.18Å; Q314-C317 PolarHBondContact O-N 2.84Å; Q314-E318 WeakPolarHBondContact CG-OE1 3.39Å; Q314-E318 PolarHBondContact NE2-OE1 3.47Å; Q314-E318 WeakPolarHBondContact O-CG 3.26Å; Q314-E318 PolarHBondContact O-N 3.05Å; Q314-F324 HydrophobicContact CB-CD1 4.2Å; Q314-F324 HydrophobicContact CB-CD2 4.25Å; Q314-F324 HydrophobicContact CB-CE1 3.89Å; Q314-F324 HydrophobicContact CB-CE2 3.97Å; Q314-F324 HydrophobicContact CB-CG 4.36Å; Q314-F324 HydrophobicContact CB-CZ 3.77Å; Q314-F324 HydrophobicContact CG-CD1 3.93Å; Q314-F324 HydrophobicContact CG-CE1 3.88Å; Q314-F324 HydrophobicContact CG-CG 4.35Å; Q314-F324 HydrophobicContact CG-CZ 4.29Å
315K97.5Very high97.3Very high135 Ų13564.2 Ų64.259%0.58733%0.328SS*.Hα-helixtrans-61.8-40.8-179.6-72177.4-179.3179.20112.7Q311 L312 K313 E318 K319Q311-K315 WeakPolarHBondContact O-CG 3.5Å; Q311-K315 PolarHBondContact O-N 2.99Å; Q311-K315 VanDerWaalsContact O-N 3.12Å; L312-K315 PolarHBondContact O-N 3.24Å; K313-K315 PolarHBondContact O-N 2.93Å; K315-E318 PolarHBondContact O-N 3.16Å; K315-K319 VanDerWaalsContact O-CB 3.25Å; K315-K319 WeakPolarHBondContact O-CB 3.18Å; K315-K319 PolarHBondContact O-N 3.02Å
316E96.8Very high97.3Very high19 Ų1965.3 Ų65.39%0.08934%0.344CS..Hα-helixtrans-69.7-38.7179.3-170.471.5170.700111.5L312 K313 Q314 K319 R320 Y335 F336L312-E316 WeakPolarHBondContact O-CB 3.39Å; L312-E316 PolarHBondContact O-N 3.21Å; K313-E316 PolarHBondContact O-N 3.01Å; Q314-E316 PolarHBondContact O-N 3.18Å; E316-K319 PolarHBondContact O-N 3.46Å; E316-K319 IonicContact OE2-NZ 2.74Å; E316-R320 WeakPolarHBondContact O-CB 3.33Å; E316-R320 PolarHBondContact O-N 3.36Å; E316-R320 IonicContact OE1-CZ 3.78Å; E316-R320 VanDerWaalsContact OE1-CZ 3.24Å; E316-R320 IonicContact OE1-NE 3.81Å; E316-R320 PolarHBondContact OE1-NE 2.88Å; E316-R320 IonicContact OE1-NH2 2.83Å; E316-R320 PolarHBondContact OE1-NH2 3.33Å; E316-Y335 HydrophobicContact CG-CE1 4.47Å; E316-Y335 PolarHBondContact OE1-OH 2.88Å; E316-F336 HydrophobicContact CB-CE1 4.09Å; E316-F336 HydrophobicContact CB-CZ 4.45Å
317C97.9Very high97.2Very high9 Ų968.5 Ų68.56%0.06136%0.361CS..Hα-helixtrans-60.7-47.7172.7-770000111.4K313 Q314 R320 G321 F322 V323 F324K313-C317 WeakPolarHBondContact O-CB 3.41Å; K313-C317 PolarHBondContact O-N 2.66Å; K313-C317 PolarHBondContact O-SG 3.49Å; K313-C317 VanDerWaalsContact O-SG 3.39Å; Q314-C317 PolarHBondContact O-N 2.84Å; C317-R320 PolarHBondContact O-N 2.69Å; C317-G321 CarbonylContact O-C 3.56Å; C317-G321 WeakPolarHBondContact O-CA 3.47Å; C317-G321 PolarHBondContact O-N 2.97Å; C317-F322 HydrophobicContact CB-CB 4.26Å; C317-F322 WeakPolarHBondContact CB-O 3.4Å; C317-F322 PolarHBondContact O-N 2.58Å; C317-V323 PolarHBondContact SG-O 2.97Å; C317-F324 HydrophobicContact CB-CB 3.94Å
318E97.3Very high97.2Very high127 Ų12766.5 Ų66.559%0.59335%0.345SS*.Hα-helixtrans-59.3-47.7175.7-72.3169.5-170.900111.7Q314 K315 R320 G321Q314-E318 WeakPolarHBondContact CG-OE1 3.39Å; Q314-E318 PolarHBondContact NE2-OE1 3.47Å; Q314-E318 WeakPolarHBondContact O-CG 3.26Å; Q314-E318 PolarHBondContact O-N 3.05Å; K315-E318 PolarHBondContact O-N 3.16Å; E318-R320 VanDerWaalsContact C-N 3.3Å; E318-R320 PolarHBondContact O-N 3.41Å; E318-G321 PolarHBondContact O-N 2.72Å
319K97.2Very high97.3Very high158 Ų15867.4 Ų67.469%0.68735%0.349SS*.Hα-helixtrans-60.9-35.8-179.7178.2-178.2171.9-170.10113.2K315 E316K315-K319 VanDerWaalsContact O-CB 3.25Å; K315-K319 WeakPolarHBondContact O-CB 3.18Å; K315-K319 PolarHBondContact O-N 3.02Å; E316-K319 PolarHBondContact O-N 3.46Å; E316-K319 IonicContact OE2-NZ 2.74Å
320R96.3Very high97.2Very high88 Ų8868.3 Ų68.333%0.33236%0.356SS..Hα-helixtrans-102.8-1.2-175.3-65-172.1-176-96.51.8114.2F228 E316 C317 E318 F322F228-R320 VanDerWaalsContact CD1-CZ 3.49Å; F228-R320 VanDerWaalsContact CD2-NH1 3.33Å; F228-R320 VanDerWaalsContact CE1-NH1 3.33Å; F228-R320 VanDerWaalsContact CG-NH1 3.25Å; E316-R320 WeakPolarHBondContact O-CB 3.33Å; E316-R320 PolarHBondContact O-N 3.36Å; E316-R320 IonicContact OE1-CZ 3.78Å; E316-R320 VanDerWaalsContact OE1-CZ 3.24Å; E316-R320 IonicContact OE1-NE 3.81Å; E316-R320 PolarHBondContact OE1-NE 2.88Å; E316-R320 IonicContact OE1-NH2 2.83Å; E316-R320 PolarHBondContact OE1-NH2 3.33Å; C317-R320 PolarHBondContact O-N 2.69Å; E318-R320 VanDerWaalsContact C-N 3.3Å; E318-R320 PolarHBondContact O-N 3.41Å; R320-F322 VanDerWaalsContact C-N 3.27Å; R320-F322 HydrophobicContact CB-CD2 3.72Å; R320-F322 HydrophobicContact CB-CE1 4.46Å; R320-F322 HydrophobicContact CB-CE2 3.67Å; R320-F322 HydrophobicContact CB-CG 4.17Å; R320-F322 HydrophobicContact CB-CZ 4.06Å; R320-F322 VanDerWaalsContact CD-CE2 3.44Å; R320-F322 HydrophobicContact CG-CE2 4.22Å; R320-F322 PolarHBondContact O-N 2.78Å
321G96.9Very high97.3Very high69 Ų6967.6 Ų67.671%0.71135%0.35SS*.THydrogen-bonded Turntrans66.827.3-174.700000113.5C317 E318C317-G321 CarbonylContact O-C 3.56Å; C317-G321 WeakPolarHBondContact O-CA 3.47Å; C317-G321 PolarHBondContact O-N 2.97Å; E318-G321 PolarHBondContact O-N 2.72Å
322F96.9Very high97.3Very high72 Ų7263.3 Ų63.332%0.31633%0.329SS..PPolyproline II helixtrans-84.5154.7171.5-58.9-38.2000110.9P230 C317 R320P230-F322 HydrophobicContact CG-CD2 3.8Å; P230-F322 HydrophobicContact CG-CE2 3.96Å; P230-F322 HydrophobicContact CG-CG 4.32Å; C317-F322 HydrophobicContact CB-CB 4.26Å; C317-F322 WeakPolarHBondContact CB-O 3.4Å; C317-F322 PolarHBondContact O-N 2.58Å; R320-F322 VanDerWaalsContact C-N 3.27Å; R320-F322 HydrophobicContact CB-CD2 3.72Å; R320-F322 HydrophobicContact CB-CE1 4.46Å; R320-F322 HydrophobicContact CB-CE2 3.67Å; R320-F322 HydrophobicContact CB-CG 4.17Å; R320-F322 HydrophobicContact CB-CZ 4.06Å; R320-F322 VanDerWaalsContact CD-CE2 3.44Å; R320-F322 HydrophobicContact CG-CE2 4.22Å; R320-F322 PolarHBondContact O-N 2.78Å
323V96.6Very high97.2Very high133 Ų13363.4 Ų63.481%0.80633%0.331SS*.PPolyproline II helixtrans-70.5132174.6-179.50000109.6C317C317-V323 PolarHBondContact SG-O 2.97Å
324F97.9Very high97.1Very high69 Ų6966.4 Ų66.430%0.30334%0.342SS..PPolyproline II helixtrans-102.6122.2171.2179.7-120.3000109.8L310 K313 Q314 C317L310-F324 HydrophobicContact CD1-CE2 3.82Å; L310-F324 HydrophobicContact CD1-CZ 3.75Å; L310-F324 HydrophobicContact CG-CZ 4.1Å; K313-F324 HydrophobicContact CB-CE2 4.29Å; K313-F324 HydrophobicContact CD-CD2 4.35Å; K313-F324 HydrophobicContact CD-CE2 4.15Å; K313-F324 HydrophobicContact CG-CD2 4.07Å; K313-F324 HydrophobicContact CG-CE2 4.01Å; Q314-F324 HydrophobicContact CB-CD1 4.2Å; Q314-F324 HydrophobicContact CB-CD2 4.25Å; Q314-F324 HydrophobicContact CB-CE1 3.89Å; Q314-F324 HydrophobicContact CB-CE2 3.97Å; Q314-F324 HydrophobicContact CB-CG 4.36Å; Q314-F324 HydrophobicContact CB-CZ 3.77Å; Q314-F324 HydrophobicContact CG-CD1 3.93Å; Q314-F324 HydrophobicContact CG-CE1 3.88Å; Q314-F324 HydrophobicContact CG-CG 4.35Å; Q314-F324 HydrophobicContact CG-CZ 4.29Å; C317-F324 HydrophobicContact CB-CB 3.94Å
325D96.4Very high97Very high74 Ų7463.1 Ų63.140%0.39633%0.326SS..  trans-99.83.7-175.55517.9000113.8K313 Q327 H329K313-D325 IonicContact NZ-OD1 2.72Å; K313-D325 PolarHBondContact NZ-OD1 3.47Å; K313-D325 IonicContact NZ-OD2 3.23Å; K313-D325 PolarHBondContact NZ-OD2 3.42Å; D325-Q327 VanDerWaalsContact C-N 3.26Å; D325-Q327 PolarHBondContact O-N 2.93Å; D325-Q327 PolarHBondContact OD1-N 3.19Å; D325-Q327 VanDerWaalsContact OD1-N 3.11Å; D325-H329 IonicContact OD1-NE2 3.65Å; D325-H329 IonicContact OD2-CD2 2.94Å; D325-H329 PolarHBondContact OD2-CD2 3.43Å; D325-H329 IonicContact OD2-CE1 2.55Å; D325-H329 IonicContact OD2-NE2 2.72Å; D325-H329 PolarHBondContact OD2-NE2 3.1Å
326G96.7Very high97Very high40 Ų4056.9 Ų56.941%0.41230%0.299SS..SBendtrans74.19.5179.100000115
327Q96.1Very high96.9Very high111 Ų11157.6 Ų57.652%0.51930%0.303SS..SBendtrans-130.9157-174.6-60.4-178.436.300112.1K313 D325K313-Q327 WeakPolarHBondContact CD-O 3.27Å; K313-Q327 WeakPolarHBondContact CE-O 3.25Å; K313-Q327 PolarHBondContact NZ-O 3.11Å; D325-Q327 VanDerWaalsContact C-N 3.26Å; D325-Q327 PolarHBondContact O-N 2.93Å; D325-Q327 PolarHBondContact OD1-N 3.19Å; D325-Q327 VanDerWaalsContact OD1-N 3.11Å
328L97.2Very high96.5Very high16 Ų1657.7 Ų57.78%0.08430%0.303CS..  trans-97.2129165.8-73.7169.5000108.9R306 L309 L310 K313 D332 I582R306-L328 HydrophobicContact CB-CD1 4.14Å; R306-L328 HydrophobicContact CG-CD1 4.23Å; R306-L328 WeakPolarHBondContact O-CD1 3.43Å; L309-L328 HydrophobicContact CB-CD1 3.76Å; L309-L328 HydrophobicContact CB-CD2 3.89Å; L309-L328 HydrophobicContact CB-CG 4.49Å; L310-L328 HydrophobicContact CB-CD1 4.37Å; L310-L328 HydrophobicContact CB-CG 4.27Å; L310-L328 HydrophobicContact CD1-CG 4.14Å; K313-L328 HydrophobicContact CD-CD2 4.36Å; L328-D332 HydrophobicContact CD2-CB 4.49Å; L328-I582 HydrophobicContact CB-CG1 4.17Å
329H97.9Very high96.3Very high32 Ų3252.6 Ų52.615%0.14828%0.28CS..  trans-103163.6173.9-60.2-68.9000111.6K313 D325 W331 D332K313-H329 PolarHBondContact NZ-CD2 3.49Å; K313-H329 VanDerWaalsContact NZ-CD2 3.34Å; D325-H329 IonicContact OD1-NE2 3.65Å; D325-H329 IonicContact OD2-CD2 2.94Å; D325-H329 PolarHBondContact OD2-CD2 3.43Å; D325-H329 IonicContact OD2-CE1 2.55Å; D325-H329 IonicContact OD2-NE2 2.72Å; D325-H329 PolarHBondContact OD2-NE2 3.1Å; H329-W331 HydrophobicContact CB-CD2 3.53Å; H329-W331 HydrophobicContact CB-CE3 3.63Å; H329-W331 HydrophobicContact CB-CG 4.3Å; H329-W331 HydrophobicContact CB-CH2 3.48Å; H329-W331 VanDerWaalsContact CB-CH2 3.48Å; H329-W331 HydrophobicContact CB-CZ2 3.39Å; H329-W331 HydrophobicContact CB-CZ3 3.59Å; H329-W331 AromaticContact CD2-CE2 3.78Å; H329-W331 AromaticContact CD2-CH2 3.68Å; H329-W331 AromaticContact CD2-CZ2 3.17Å; H329-W331 WeakPolarHBondContact CD2-CZ2 3.42Å; H329-W331 AromaticContact CE1-CH2 4Å; H329-W331 AromaticContact CG-CE2 3.72Å; H329-W331 AromaticContact CG-CH2 3.26Å; H329-W331 AromaticContact CG-CZ2 3.19Å; H329-W331 AromaticContact CG-CZ3 3.88Å; H329-W331 AromaticContact ND1-CH2 3.51Å; H329-W331 AromaticContact ND1-CZ2 3.88Å; H329-W331 AromaticContact NE2-CZ2 3.83Å; H329-W331 PolarHBondContact O-N 2.85Å; H329-D332 IonicContact CD2-OD2 3.19Å; H329-D332 PolarHBondContact N-OD2 3.11Å; H329-D332 WeakPolarHBondContact O-CB 3.49Å; H329-D332 PolarHBondContact O-N 3.26Å
330A97.4Very high96Very high19 Ų1945.5 Ų45.516%0.15725%0.249CC..Hα-helixtrans-53.8-42.1177.400000112.3E237 D332 T333E237-A330 HydrophobicContact CG-CB 4.28Å; E237-A330 WeakPolarHBondContact OE1-CB 3.35Å; A330-D332 PolarHBondContact O-N 2.99Å; A330-T333 PolarHBondContact O-N 2.82Å; A330-T333 PolarHBondContact O-OG1 2.81Å
331W98Very high95.6Very high40 Ų4044 Ų4415%0.15225%0.246CC..Hα-helixtrans-72.6-9.5179.265.382000115.1M224 R233 R234 E237 H329M224-W331 HydrophobicContact CE-CB 3.92Å; R233-W331 HydrophobicContact CB-CB 4.12Å; R233-W331 WeakPolarHBondContact CD-O 3.39Å; R233-W331 PolarHBondContact NE-O 3.42Å; R234-W331 HydrophobicContact CB-CD2 3.93Å; R234-W331 HydrophobicContact CB-CE3 4.4Å; R234-W331 HydrophobicContact CB-CG 4.04Å; R234-W331 HydrophobicContact CG-CD2 3.99Å; R234-W331 HydrophobicContact CG-CE3 4Å; R234-W331 HydrophobicContact CG-CH2 4.29Å; R234-W331 HydrophobicContact CG-CZ2 4.26Å; R234-W331 HydrophobicContact CG-CZ3 4.16Å; E237-W331 HydrophobicContact CB-CB 3.73Å; E237-W331 HydrophobicContact CG-CB 4.08Å; H329-W331 HydrophobicContact CB-CD2 3.53Å; H329-W331 HydrophobicContact CB-CE3 3.63Å; H329-W331 HydrophobicContact CB-CG 4.3Å; H329-W331 HydrophobicContact CB-CH2 3.48Å; H329-W331 VanDerWaalsContact CB-CH2 3.48Å; H329-W331 HydrophobicContact CB-CZ2 3.39Å; H329-W331 HydrophobicContact CB-CZ3 3.59Å; H329-W331 AromaticContact CD2-CE2 3.78Å; H329-W331 AromaticContact CD2-CH2 3.68Å; H329-W331 AromaticContact CD2-CZ2 3.17Å; H329-W331 WeakPolarHBondContact CD2-CZ2 3.42Å; H329-W331 AromaticContact CE1-CH2 4Å; H329-W331 AromaticContact CG-CE2 3.72Å; H329-W331 AromaticContact CG-CH2 3.26Å; H329-W331 AromaticContact CG-CZ2 3.19Å; H329-W331 AromaticContact CG-CZ3 3.88Å; H329-W331 AromaticContact ND1-CH2 3.51Å; H329-W331 AromaticContact ND1-CZ2 3.88Å; H329-W331 AromaticContact NE2-CZ2 3.83Å; H329-W331 PolarHBondContact O-N 2.85Å
332D98.3Very high95Very high2 Ų244.4 Ų44.41%0.01123%0.229CC..Hα-helixtrans-89.8-25.8176.9-71.3-34.7000112.1R233 K313 L328 H329 A330 R334 Y335 F336R233-D332 IonicContact CZ-OD1 2.76Å; R233-D332 IonicContact NH2-OD1 3.51Å; R233-D332 PolarHBondContact NH2-OD1 3.39Å; K313-D332 WeakPolarHBondContact CE-OD2 3.47Å; K313-D332 IonicContact NZ-OD2 3.58Å; K313-D332 PolarHBondContact NZ-OD2 2.88Å; L328-D332 HydrophobicContact CD2-CB 4.49Å; H329-D332 IonicContact CD2-OD2 3.19Å; H329-D332 PolarHBondContact N-OD2 3.11Å; H329-D332 WeakPolarHBondContact O-CB 3.49Å; H329-D332 PolarHBondContact O-N 3.26Å; A330-D332 PolarHBondContact O-N 2.99Å; D332-R334 PolarHBondContact O-N 3.19Å; D332-Y335 PolarHBondContact O-N 2.93Å; D332-F336 HydrophobicContact CB-CD2 3.86Å; D332-F336 HydrophobicContact CB-CE2 3.91Å; D332-F336 VanDerWaalsContact O-CD2 3.27Å; D332-F336 WeakPolarHBondContact O-CD2 3.12Å; D332-F336 PolarHBondContact O-N 3.19Å
333T95.7Very high94.4Very high27 Ų2745 Ų4517%0.16624%0.239CC..Hα-helixtrans-54.8-60.8-169.455.50000113.5A330 Y335 F336 M337 I582A330-T333 PolarHBondContact O-N 2.82Å; A330-T333 PolarHBondContact O-OG1 2.81Å; T333-Y335 VanDerWaalsContact C-N 3.27Å; T333-Y335 PolarHBondContact O-N 3.04Å; T333-F336 PolarHBondContact O-N 3.19Å; T333-M337 WeakPolarHBondContact O-CB 3.47Å; T333-M337 WeakPolarHBondContact O-CG 3.42Å; T333-M337 PolarHBondContact O-N 2.87Å; T333-I582 HydrophobicContact CG2-CD1 3.66Å; T333-I582 HydrophobicContact CG2-CG1 4.44Å; T333-I582 HydrophobicContact CG2-CG2 3.91Å
334R95.7Very high93.7Very high72 Ų7245 Ų4527%0.27223%0.225SC..Hα-helixtrans-61.6-36-176.9-65.6-172.9177.9-78.4-0.4112.7M224 K225 D332 T338M224-R334 HydrophobicContact CB-CB 4.25Å; K225-R334 HydrophobicContact CG-CB 4.39Å; D332-R334 PolarHBondContact O-N 3.19Å; R334-T338 WeakPolarHBondContact O-CB 3.5Å; R334-T338 PolarHBondContact O-N 3.01Å; R334-T338 VanDerWaalsContact O-N 3.09Å; R334-T338 PolarHBondContact O-OG1 3.45Å
335Y96.8Very high93Very high14 Ų1444.7 Ų44.76%0.05522%0.222CC..Hα-helixtrans-65.1-52.5179.2-177.7-105.8000110.8M224 K225 C227 F228 E316 D332 T333 T338 Q339M224-Y335 WeakPolarHBondContact O-CA 3.45Å; M224-Y335 WeakPolarHBondContact O-CB 3.5Å; M224-Y335 PolarHBondContact O-N 3.5Å; K225-Y335 WeakPolarHBondContact O-CD2 3.25Å; C227-Y335 WeakPolarHBondContact O-CD2 3.06Å; C227-Y335 WeakPolarHBondContact O-CE2 3.37Å; F228-Y335 HydrophobicContact CB-CE2 4.24Å; F228-Y335 VanDerWaalsContact CB-OH 3.28Å; F228-Y335 WeakPolarHBondContact CB-OH 3.16Å; E316-Y335 HydrophobicContact CG-CE1 4.47Å; E316-Y335 PolarHBondContact OE1-OH 2.88Å; D332-Y335 PolarHBondContact O-N 2.93Å; T333-Y335 VanDerWaalsContact C-N 3.27Å; T333-Y335 PolarHBondContact O-N 3.04Å; Y335-T338 WeakPolarHBondContact O-CB 3.45Å; Y335-T338 PolarHBondContact O-N 3.28Å; Y335-Q339 HydrophobicContact CE1-CG 4.33Å; Y335-Q339 PolarHBondContact O-N 2.86Å; Y335-Q339 PolarHBondContact OH-NE2 2.89Å
336F97.1Very high92.3Very high3 Ų343.7 Ų43.71%0.01322%0.224CC..Hα-helixtrans-75.8-28.1-179.1-66.8-66.1000113.6L309 L312 K313 E316 D332 T333 T338 Q339 V340L309-F336 HydrophobicContact CB-CB 4.12Å; L309-F336 HydrophobicContact CD1-CB 4.45Å; L309-F336 HydrophobicContact CD2-CB 3.82Å; L309-F336 WeakPolarHBondContact CD2-O 3.5Å; L309-F336 HydrophobicContact CG-CB 4.33Å; L312-F336 HydrophobicContact CB-CD1 3.74Å; L312-F336 HydrophobicContact CB-CE1 4.27Å; K313-F336 VanDerWaalsContact CA-CE1 3.49Å; K313-F336 HydrophobicContact CB-CD2 4.11Å; K313-F336 HydrophobicContact CB-CE1 4.09Å; K313-F336 HydrophobicContact CB-CE2 3.53Å; K313-F336 HydrophobicContact CB-CZ 3.54Å; K313-F336 HydrophobicContact CD-CE2 4.11Å; K313-F336 HydrophobicContact CG-CE2 3.66Å; K313-F336 HydrophobicContact CG-CZ 3.75Å; E316-F336 HydrophobicContact CB-CE1 4.09Å; E316-F336 HydrophobicContact CB-CZ 4.45Å; D332-F336 HydrophobicContact CB-CD2 3.86Å; D332-F336 HydrophobicContact CB-CE2 3.91Å; D332-F336 VanDerWaalsContact O-CD2 3.27Å; D332-F336 WeakPolarHBondContact O-CD2 3.12Å; D332-F336 PolarHBondContact O-N 3.19Å; T333-F336 PolarHBondContact O-N 3.19Å; F336-T338 VanDerWaalsContact C-N 3.28Å; F336-T338 PolarHBondContact O-N 2.75Å; F336-Q339 HydrophobicContact CD1-CG 4.33Å; F336-Q339 PolarHBondContact O-N 2.84Å; F336-V340 WeakPolarHBondContact O-CG2 3.39Å; F336-V340 PolarHBondContact O-N 2.89Å
337M94.4Very high91.5Very high35 Ų3541.9 Ų41.917%0.17221%0.205CC..Hα-helixtrans-59.2-43.1168.4-73.5170.575.600110.7L309 T333 V340 E341 N542 F546L309-M337 HydrophobicContact CD1-CG 4.03Å; T333-M337 WeakPolarHBondContact O-CB 3.47Å; T333-M337 WeakPolarHBondContact O-CG 3.42Å; T333-M337 PolarHBondContact O-N 2.87Å; M337-V340 WeakPolarHBondContact O-CB 3.39Å; M337-V340 PolarHBondContact O-N 2.89Å; M337-E341 PolarHBondContact O-N 2.73Å; M337-E341 VanDerWaalsContact O-N 3.16Å; M337-N542 HydrophobicContact CB-CB 4.27Å; M337-N542 HydrophobicContact CE-CB 3.47Å; M337-N542 VanDerWaalsContact CE-CB 3.47Å; M337-N542 HydrophobicContact CG-CB 3.94Å; M337-N542 PolarHBondContact O-ND2 3.08Å; M337-F546 HydrophobicContact CE-CB 4.45Å
338T90.6Very high90.8Very high11 Ų1140.3 Ų40.37%0.06720%0.2CC..Hα-helixtrans-64-41.1173.9-53.70000111.1K225 K226 R334 Y335 F336 V340 E341 E342K225-T338 WeakPolarHBondContact CB-OG1 3.3Å; K226-T338 HydrophobicContact CD-CG2 4.28Å; R334-T338 WeakPolarHBondContact O-CB 3.5Å; R334-T338 PolarHBondContact O-N 3.01Å; R334-T338 VanDerWaalsContact O-N 3.09Å; R334-T338 PolarHBondContact O-OG1 3.45Å; Y335-T338 WeakPolarHBondContact O-CB 3.45Å; Y335-T338 PolarHBondContact O-N 3.28Å; F336-T338 VanDerWaalsContact C-N 3.28Å; F336-T338 PolarHBondContact O-N 2.75Å; T338-V340 VanDerWaalsContact C-N 3.32Å; T338-V340 PolarHBondContact O-N 2.74Å; T338-E341 WeakPolarHBondContact O-CB 3.41Å; T338-E341 PolarHBondContact O-N 2.73Å; T338-E342 HydrophobicContact CG2-CG 4.45Å; T338-E342 WeakPolarHBondContact O-CG 3.36Å; T338-E342 PolarHBondContact O-N 3.29Å
339Q91.9Very high90Very high20 Ų2041.3 Ų41.39%0.09320%0.204CC..Hα-helixtrans-64.1-34.5175.1-69.6-161.22.500113L312 Y335 F336 E342 T343L312-Q339 HydrophobicContact CD1-CB 4.21Å; Y335-Q339 HydrophobicContact CE1-CG 4.33Å; Y335-Q339 PolarHBondContact O-N 2.86Å; Y335-Q339 PolarHBondContact OH-NE2 2.89Å; F336-Q339 HydrophobicContact CD1-CG 4.33Å; F336-Q339 PolarHBondContact O-N 2.84Å; Q339-E342 PolarHBondContact O-N 3.31Å; Q339-T343 VanDerWaalsContact O-CB 3.29Å; Q339-T343 WeakPolarHBondContact O-CB 3.49Å; Q339-T343 WeakPolarHBondContact O-CG2 3.41Å; Q339-T343 PolarHBondContact O-N 3.29Å; Q339-T343 PolarHBondContact O-OG1 2.81Å
340V91.7Very high89.2Confident8 Ų843.3 Ų43.35%0.04822%0.216CC..Hα-helixtrans-60.5-47.8173.3164.80000110.2V308 L309 L312 F336 M337 T338 E342 R344 Y345 A541V308-V340 HydrophobicContact CG1-CG2 3.67Å; L309-V340 HydrophobicContact CD2-CG2 3.43Å; L309-V340 VanDerWaalsContact CD2-CG2 3.43Å; L312-V340 HydrophobicContact CD1-CG2 3.52Å; F336-V340 WeakPolarHBondContact O-CG2 3.39Å; F336-V340 PolarHBondContact O-N 2.89Å; M337-V340 WeakPolarHBondContact O-CB 3.39Å; M337-V340 PolarHBondContact O-N 2.89Å; T338-V340 VanDerWaalsContact C-N 3.32Å; T338-V340 PolarHBondContact O-N 2.74Å; V340-E342 PolarHBondContact O-N 3.03Å; V340-R344 WeakPolarHBondContact O-CA 3.41Å; V340-R344 VanDerWaalsContact O-CB 3.26Å; V340-R344 WeakPolarHBondContact O-CB 3.43Å; V340-R344 PolarHBondContact O-N 3.3Å; V340-Y345 HydrophobicContact CG1-CD2 4.4Å; V340-Y345 HydrophobicContact CG1-CE2 4.04Å; V340-A541 HydrophobicContact CG1-CB 4.42Å
341E86.7Confident88.7Confident57 Ų5746 Ų4627%0.26623%0.227SC..Hα-helixtrans-58.5-47.7176.8-69163.2-155.700111.3M337 T338 Y345 A346 A541 N542M337-E341 PolarHBondContact O-N 2.73Å; M337-E341 VanDerWaalsContact O-N 3.16Å; T338-E341 WeakPolarHBondContact O-CB 3.41Å; T338-E341 PolarHBondContact O-N 2.73Å; E341-Y345 CarbonylContact O-C 3.36Å; E341-Y345 WeakPolarHBondContact O-CA 3.42Å; E341-Y345 WeakPolarHBondContact O-CB 3.4Å; E341-Y345 PolarHBondContact O-N 3.4Å; E341-A346 PolarHBondContact O-N 2.82Å; E341-A541 HydrophobicContact CG-CB 3.75Å; E341-N542 PolarHBondContact OE1-ND2 2.73Å; E341-N542 VanDerWaalsContact OE1-ND2 3.11Å
342E84.6Confident88.4Confident77 Ų7744.1 Ų44.136%0.3622%0.22SC..Hα-helixtrans-69.8-41-178.4-71.1177.5168.200113.5K226 T338 Q339 V340 A346K226-E342 IonicContact NZ-OE1 3.82Å; K226-E342 PolarHBondContact NZ-OE1 2.8Å; T338-E342 HydrophobicContact CG2-CG 4.45Å; T338-E342 WeakPolarHBondContact O-CG 3.36Å; T338-E342 PolarHBondContact O-N 3.29Å; Q339-E342 PolarHBondContact O-N 3.31Å; V340-E342 PolarHBondContact O-N 3.03Å; E342-A346 VanDerWaalsContact O-CA 3.22Å; E342-A346 WeakPolarHBondContact O-CA 3.49Å; E342-A346 PolarHBondContact O-N 2.89Å
343T84.5Confident88Confident86 Ų8645.9 Ų45.953%0.52823%0.228SC..Hα-helixtrans-95.8-31.6-169.963.10000113.7Q339Q339-T343 VanDerWaalsContact O-CB 3.29Å; Q339-T343 WeakPolarHBondContact O-CB 3.49Å; Q339-T343 WeakPolarHBondContact O-CG2 3.41Å; Q339-T343 PolarHBondContact O-N 3.29Å; Q339-T343 PolarHBondContact O-OG1 2.81Å
344R82.6Confident88Confident133 Ų13347 Ų4750%0.50223%0.231SC..Hα-helixtrans-93.7-36.1179.4-61.9-166.2167.7-158.2-6.6112.6V308 V340V308-R344 VanDerWaalsContact CG1-NH2 3.28Å; V308-R344 VanDerWaalsContact CG2-CZ 3.45Å; V308-R344 VanDerWaalsContact CG2-NH2 3.26Å; V340-R344 WeakPolarHBondContact O-CA 3.41Å; V340-R344 VanDerWaalsContact O-CB 3.26Å; V340-R344 WeakPolarHBondContact O-CB 3.43Å; V340-R344 PolarHBondContact O-N 3.3Å
345Y82.4Confident88Confident62 Ų6244.2 Ų44.224%0.24322%0.221CC..SBendtrans-101.5-9.5-179.8-60.1-88.9000112.9V340 E341 V347 K534 K537 S538 A541V340-Y345 HydrophobicContact CG1-CD2 4.4Å; V340-Y345 HydrophobicContact CG1-CE2 4.04Å; E341-Y345 CarbonylContact O-C 3.36Å; E341-Y345 WeakPolarHBondContact O-CA 3.42Å; E341-Y345 WeakPolarHBondContact O-CB 3.4Å; E341-Y345 PolarHBondContact O-N 3.4Å; Y345-V347 PolarHBondContact O-N 2.83Å; Y345-K534 WeakPolarHBondContact O-CB 3.21Å; Y345-K537 HydrophobicContact CD1-CB 4.15Å; Y345-K537 HydrophobicContact CE1-CB 4.4Å; Y345-K537 WeakPolarHBondContact CE1-O 3.41Å; Y345-S538 VanDerWaalsContact CD1-CA 3.48Å; Y345-A541 HydrophobicContact CD2-CB 3.73Å; Y345-A541 HydrophobicContact CE2-CB 3.34Å
346A83.1Confident88.1Confident52 Ų5243.5 Ų43.543%0.4322%0.218SC..  trans54.135.4175.800000113.2E341 E342 K534E341-A346 PolarHBondContact O-N 2.82Å; E342-A346 VanDerWaalsContact O-CA 3.22Å; E342-A346 WeakPolarHBondContact O-CA 3.49Å; E342-A346 PolarHBondContact O-N 2.89Å; A346-K534 HydrophobicContact CB-CD 4.13Å
347V79Confident88Confident2 Ų244 Ų441%0.01222%0.221CC..  trans-93.4101.2175.9-177.40000108.8Y345 Q349 L352 K534 L535Y345-V347 PolarHBondContact O-N 2.83Å; V347-Q349 PolarHBondContact O-N 2.71Å; V347-L352 HydrophobicContact CG1-CD2 4Å; V347-K534 HydrophobicContact CG2-CB 4.04Å; V347-L535 HydrophobicContact CG1-CD1 4.43Å
348D81.5Confident88.1Confident79 Ų7942.7 Ų42.742%0.42222%0.215SC..  trans-79.9102.7168.8-178.5-2.9000109.5N350 L351 L352D348-N350 PolarHBondContact O-N 2.75Å; D348-N350 WeakPolarHBondContact OD1-CA 3.35Å; D348-N350 WeakPolarHBondContact OD1-CB 3.47Å; D348-N350 PolarHBondContact OD1-N 2.7Å; D348-L351 HydrophobicContact CB-CB 4.03Å; D348-L351 PolarHBondContact O-N 2.93Å; D348-L351 VanDerWaalsContact O-N 3.17Å; D348-L351 PolarHBondContact OD1-N 3.25Å; D348-L352 WeakPolarHBondContact O-CB 3.31Å; D348-L352 PolarHBondContact O-N 2.74Å
349Q80.4Confident88.4Confident36 Ų3649.5 Ų49.517%0.16825%0.246CC..Hα-helixtrans-60-28.8178.3-65.8-65.4-15.500112.7V347 L352 K353 Q460V347-Q349 PolarHBondContact O-N 2.71Å; Q349-L352 PolarHBondContact O-N 2.83Å; Q349-K353 PolarHBondContact O-N 3.31Å; Q349-Q460 PolarHBondContact O-OE1 3.31Å
350N81.2Confident88.7Confident74 Ų7448.8 Ų48.840%0.39624%0.243SC..Hα-helixtrans-72.7-35.7176.9-70.3-49.4000112.6D348 K353D348-N350 PolarHBondContact O-N 2.75Å; D348-N350 WeakPolarHBondContact OD1-CA 3.35Å; D348-N350 WeakPolarHBondContact OD1-CB 3.47Å; D348-N350 PolarHBondContact OD1-N 2.7Å; N350-K353 WeakPolarHBondContact O-CG 3.22Å; N350-K353 PolarHBondContact OD1-NZ 3.29Å
351L87Confident89Confident76 Ų7648.4 Ų48.440%0.39824%0.241SC..Hα-helixtrans-71.3-41.2170.8177.561.8000110.6D348 E354 F355 L531D348-L351 HydrophobicContact CB-CB 4.03Å; D348-L351 PolarHBondContact O-N 2.93Å; D348-L351 VanDerWaalsContact O-N 3.17Å; D348-L351 PolarHBondContact OD1-N 3.25Å; L351-E354 WeakPolarHBondContact O-CB 3.41Å; L351-E354 PolarHBondContact O-N 2.82Å; L351-F355 HydrophobicContact CD1-CE2 4.31Å; L351-F355 HydrophobicContact CG-CE2 4.46Å; L351-F355 WeakPolarHBondContact O-CD2 3.48Å; L351-L531 HydrophobicContact CD2-CD2 4.3Å; L351-L531 HydrophobicContact CG-CD2 4.34Å
352L91.1Very high89.6Confident0 Ų046.4 Ų46.40%023%0.232CC..Hα-helixtrans-63.3-44.9-175.2-174.562.5000112.4V347 D348 Q349 E354 F355 F356 H461 I527 L531 L535V347-L352 HydrophobicContact CG1-CD2 4Å; D348-L352 WeakPolarHBondContact O-CB 3.31Å; D348-L352 PolarHBondContact O-N 2.74Å; Q349-L352 PolarHBondContact O-N 2.83Å; L352-E354 PolarHBondContact O-N 3.48Å; L352-E354 VanDerWaalsContact O-N 3.11Å; L352-F355 WeakPolarHBondContact O-CB 3.27Å; L352-F355 PolarHBondContact O-N 3.46Å; L352-F356 HydrophobicContact CD1-CD2 4.49Å; L352-F356 HydrophobicContact CD1-CE2 3.67Å; L352-F356 HydrophobicContact CD1-CZ 4.49Å; L352-F356 HydrophobicContact CD2-CE2 4.35Å; L352-F356 HydrophobicContact CG-CD2 4.22Å; L352-F356 HydrophobicContact CG-CE2 3.72Å; L352-F356 WeakPolarHBondContact O-CD2 3.46Å; L352-H461 HydrophobicContact CD2-CB 4Å; L352-I527 HydrophobicContact CD1-CD1 3.56Å; L352-L531 HydrophobicContact CD1-CD2 4.05Å; L352-L531 HydrophobicContact CD1-CG 4.16Å; L352-L535 HydrophobicContact CD1-CD2 4.21Å; L352-L535 HydrophobicContact CD2-CD1 3.77Å; L352-L535 HydrophobicContact CD2-CD2 4.02Å; L352-L535 HydrophobicContact CD2-CG 4.4Å
353K90.8Very high90.2Very high39 Ų3947.6 Ų47.617%0.1723%0.234CC..G310 helixtrans-59.3-25.3-179.973.4-174.7-175.3-174.70113.7Q349 N350 F355 F356 L458 L459Q349-K353 PolarHBondContact O-N 3.31Å; N350-K353 WeakPolarHBondContact O-CG 3.22Å; N350-K353 PolarHBondContact OD1-NZ 3.29Å; K353-F355 PolarHBondContact O-N 2.92Å; K353-F355 VanDerWaalsContact O-N 3.14Å; K353-F356 PolarHBondContact O-N 2.82Å; K353-L458 HydrophobicContact CB-CB 4.27Å; K353-L458 HydrophobicContact CG-CB 4.25Å; K353-L458 HydrophobicContact CG-CD1 4.41Å; K353-L459 WeakPolarHBondContact CA-O 3.39Å; K353-L459 VanDerWaalsContact CB-O 3.3Å; K353-L459 WeakPolarHBondContact CB-O 3.34Å
354E94.2Very high90.9Very high52 Ų5243.5 Ų43.524%0.24321%0.209CC..G310 helixtrans-62.6-20.5176.8-58.8-157.7141.900112.9L351 L352 H520 Y521L351-E354 WeakPolarHBondContact O-CB 3.41Å; L351-E354 PolarHBondContact O-N 2.82Å; L352-E354 PolarHBondContact O-N 3.48Å; L352-E354 VanDerWaalsContact O-N 3.11Å; E354-H520 CarbonylContact O-C 3.57Å; E354-H520 WeakPolarHBondContact O-CA 3.23Å; E354-H520 IonicContact OE2-CE1 2.67Å; E354-H520 IonicContact OE2-NE2 2.7Å; E354-H520 PolarHBondContact OE2-NE2 3.45Å; E354-Y521 HydrophobicContact CB-CD1 3.88Å; E354-Y521 HydrophobicContact CB-CE1 3.88Å; E354-Y521 HydrophobicContact CG-CD1 4.37Å; E354-Y521 HydrophobicContact CG-CE1 3.89Å; E354-Y521 WeakPolarHBondContact O-CD1 3.27Å; E354-Y521 PolarHBondContact O-N 2.89Å
355F97.2Very high91.6Very high12 Ų1237.2 Ų37.25%0.05319%0.185CC..G310 helixtrans-91.9-7176.2-64.5-90000113.9L351 L352 K353 P357 S518 R519 H520 P526 I527 P528 L531L351-F355 HydrophobicContact CD1-CE2 4.31Å; L351-F355 HydrophobicContact CG-CE2 4.46Å; L351-F355 WeakPolarHBondContact O-CD2 3.48Å; L352-F355 WeakPolarHBondContact O-CB 3.27Å; L352-F355 PolarHBondContact O-N 3.46Å; K353-F355 PolarHBondContact O-N 2.92Å; K353-F355 VanDerWaalsContact O-N 3.14Å; F355-P357 VanDerWaalsContact O-CD 3.22Å; F355-P357 WeakPolarHBondContact O-CD 3.21Å; F355-S518 CarbonylContact O-C 3.6Å; F355-S518 WeakPolarHBondContact O-CA 3.47Å; F355-S518 WeakPolarHBondContact O-CB 3.32Å; F355-R519 CarbonylContact O-C 3.56Å; F355-R519 PolarHBondContact O-N 3.49Å; F355-H520 HydrophobicContact CD1-CB 3.83Å; F355-H520 HydrophobicContact CE1-CB 3.72Å; F355-H520 AromaticContact CE1-CD2 3.99Å; F355-H520 HydrophobicContact CZ-CB 4.41Å; F355-H520 AromaticContact CZ-CD2 3.8Å; F355-P526 WeakPolarHBondContact CE1-O 3.3Å; F355-I527 HydrophobicContact CD1-CB 4.04Å; F355-I527 HydrophobicContact CD1-CG1 4.49Å; F355-I527 HydrophobicContact CG-CB 4.28Å; F355-I527 HydrophobicContact CG-CG1 4.37Å; F355-P528 HydrophobicContact CZ-CG 4.38Å; F355-L531 HydrophobicContact CD2-CD2 4.44Å; F355-L531 HydrophobicContact CE2-CD2 4.19Å
356F97.3Very high92.4Very high0 Ų034.8 Ų34.80%018%0.176CC..  trans-116.660.9-179.9-63-69.1000113.2L352 K353 M358 V361 L459 V464 L514L352-F356 HydrophobicContact CD1-CD2 4.49Å; L352-F356 HydrophobicContact CD1-CE2 3.67Å; L352-F356 HydrophobicContact CD1-CZ 4.49Å; L352-F356 HydrophobicContact CD2-CE2 4.35Å; L352-F356 HydrophobicContact CG-CD2 4.22Å; L352-F356 HydrophobicContact CG-CE2 3.72Å; L352-F356 WeakPolarHBondContact O-CD2 3.46Å; K353-F356 PolarHBondContact O-N 2.82Å; F356-M358 PolarHBondContact O-N 3.38Å; F356-V361 HydrophobicContact CB-CG2 3.77Å; F356-V361 HydrophobicContact CD1-CG2 3.85Å; F356-V361 HydrophobicContact CG-CG2 4.29Å; F356-L459 HydrophobicContact CB-CB 4.16Å; F356-L459 WeakPolarHBondContact CB-O 3.42Å; F356-L459 PolarHBondContact O-N 3.32Å; F356-V464 HydrophobicContact CB-CG2 4.2Å; F356-V464 HydrophobicContact CD1-CG2 4.05Å; F356-V464 HydrophobicContact CG-CG2 4.07Å; F356-L514 HydrophobicContact CE1-CD2 4.14Å; F356-L514 HydrophobicContact CZ-CD2 3.92Å
357P96.9Very high93.1Very high12 Ų1236.1 Ų36.18%0.07817%0.173CC..BIsolated β-bridgetrans-59.7137.4167.3-16.227.7000111F355 E359 V360 V361 S457 L458 R519F355-P357 VanDerWaalsContact O-CD 3.22Å; F355-P357 WeakPolarHBondContact O-CD 3.21Å; P357-E359 PolarHBondContact O-N 2.88Å; P357-E359 VanDerWaalsContact O-N 3.1Å; P357-V360 HydrophobicContact CB-CB 4.4Å; P357-V360 HydrophobicContact CB-CG2 4.02Å; P357-V360 HydrophobicContact CG-CB 4.42Å; P357-V360 HydrophobicContact CG-CG2 3.93Å; P357-V360 WeakPolarHBondContact O-CA 3.45Å; P357-V360 WeakPolarHBondContact O-CB 3.42Å; P357-V360 PolarHBondContact O-N 2.98Å; P357-V361 PolarHBondContact O-N 2.77Å; P357-S457 WeakPolarHBondContact CA-O 3.27Å; P357-L458 HydrophobicContact CB-CD2 4.4Å; P357-L458 HydrophobicContact CG-CD2 4.3Å; P357-R519 WeakPolarHBondContact CD-O 3.47Å; P357-R519 WeakPolarHBondContact CG-O 3.29Å
358M96.4Very high94.1Very high8 Ų836.1 Ų36.14%0.03917%0.173CC..Hα-helixtrans-45.4-45.4179.4177.760.575.200114F356 V360 V361 T362 L411 Y412 F448 S457 L459 Y467F356-M358 PolarHBondContact O-N 3.38Å; M358-V360 VanDerWaalsContact C-N 3.34Å; M358-V360 PolarHBondContact O-N 3.15Å; M358-V361 PolarHBondContact O-N 3.29Å; M358-T362 VanDerWaalsContact O-CB 3.29Å; M358-T362 WeakPolarHBondContact O-CB 3.17Å; M358-T362 PolarHBondContact O-N 3.02Å; M358-T362 PolarHBondContact O-OG1 3.28Å; M358-L411 HydrophobicContact CE-CB 4.32Å; M358-L411 HydrophobicContact CE-CD1 4.37Å; M358-L411 HydrophobicContact SD-CD1 3.67Å; M358-Y412 HydrophobicContact CE-CE1 3.99Å; M358-Y412 HydrophobicContact CG-CE1 4.48Å; M358-F448 HydrophobicContact CE-CB 3.52Å; M358-F448 HydrophobicContact CE-CD2 3.56Å; M358-F448 HydrophobicContact CE-CG 3.88Å; M358-F448 HydrophobicContact SD-CD2 4.46Å; M358-S457 PolarHBondContact N-O 3.49Å; M358-L459 HydrophobicContact CE-CD1 4.22Å; M358-L459 HydrophobicContact CE-CD2 3.7Å; M358-L459 HydrophobicContact CE-CG 4.32Å; M358-L459 HydrophobicContact SD-CD1 4.26Å; M358-Y467 HydrophobicContact SD-CE1 4.02Å
359E95.7Very high94.9Very high155 Ų15532.5 Ų32.572%0.72415%0.154SC*.Hα-helixtrans-65.2-36.6-179.6-64.6179.5-17700112.7P357 R363P357-E359 PolarHBondContact O-N 2.88Å; P357-E359 VanDerWaalsContact O-N 3.1Å; E359-R363 WeakPolarHBondContact O-CB 3.48Å; E359-R363 PolarHBondContact O-N 2.9Å; E359-R363 VanDerWaalsContact O-N 3.1Å
360V98.1Very high95.7Very high5 Ų532.2 Ų32.23%0.0315%0.153CC..Hα-helixtrans-73.4-45.3179.5-179.50000109.8P357 M358 R363 G364 R519P357-V360 HydrophobicContact CB-CB 4.4Å; P357-V360 HydrophobicContact CB-CG2 4.02Å; P357-V360 HydrophobicContact CG-CB 4.42Å; P357-V360 HydrophobicContact CG-CG2 3.93Å; P357-V360 WeakPolarHBondContact O-CA 3.45Å; P357-V360 WeakPolarHBondContact O-CB 3.42Å; P357-V360 PolarHBondContact O-N 2.98Å; M358-V360 VanDerWaalsContact C-N 3.34Å; M358-V360 PolarHBondContact O-N 3.15Å; V360-R363 PolarHBondContact O-N 3.27Å; V360-G364 PolarHBondContact O-N 3.07Å; V360-R519 HydrophobicContact CG1-CB 3.87Å; V360-R519 HydrophobicContact CG2-CB 4.19Å
361V98.4Very high96.5Very high0 Ų031.9 Ų31.90%015%0.148CC..Hα-helixtrans-62-48.9177.2175.90000110.5F356 P357 M358 R363 G364 L365 L459 V464 Y467F356-V361 HydrophobicContact CB-CG2 3.77Å; F356-V361 HydrophobicContact CD1-CG2 3.85Å; F356-V361 HydrophobicContact CG-CG2 4.29Å; P357-V361 PolarHBondContact O-N 2.77Å; M358-V361 PolarHBondContact O-N 3.29Å; V361-R363 PolarHBondContact O-N 3.34Å; V361-G364 PolarHBondContact O-N 2.64Å; V361-L365 WeakPolarHBondContact O-CB 3.24Å; V361-L365 PolarHBondContact O-N 3.25Å; V361-L459 HydrophobicContact CB-CD1 4.08Å; V361-L459 HydrophobicContact CG1-CD1 3.98Å; V361-L459 HydrophobicContact CG2-CD1 4.13Å; V361-V464 HydrophobicContact CG1-CG1 4.05Å; V361-V464 HydrophobicContact CG1-CG2 4.19Å; V361-V464 HydrophobicContact CG2-CG2 4.08Å; V361-Y467 HydrophobicContact CG1-CD1 4.05Å; V361-Y467 HydrophobicContact CG1-CE1 4.5Å
362T98.4Very high97.1Very high14 Ų1428.4 Ų28.49%0.08613%0.13CC..Hα-helixtrans-58.2-48.9178.8-610000110.8M358 G364 L366 L409 Y467M358-T362 VanDerWaalsContact O-CB 3.29Å; M358-T362 WeakPolarHBondContact O-CB 3.17Å; M358-T362 PolarHBondContact O-N 3.02Å; M358-T362 PolarHBondContact O-OG1 3.28Å; T362-G364 PolarHBondContact O-N 3.05Å; T362-L366 HydrophobicContact CG2-CD1 4.01Å; T362-L366 HydrophobicContact CG2-CG 4.33Å; T362-L366 WeakPolarHBondContact O-CB 3.26Å; T362-L366 WeakPolarHBondContact O-CG 3.43Å; T362-L366 PolarHBondContact O-N 3.2Å; T362-L409 HydrophobicContact CG2-CD1 4.25Å; T362-Y467 WeakPolarHBondContact CG2-OH 3.36Å; T362-Y467 WeakPolarHBondContact OG1-CE1 3.47Å; T362-Y467 PolarHBondContact OG1-OH 3.21Å
363R98.4Very high97.4Very high103 Ų10328.4 Ų28.439%0.38913%0.13SC..Hα-helixtrans-60.4-49.6178.3-178.118063.4-121.8-11.7111.9E359 V360 V361 L365 L366 E367E359-R363 WeakPolarHBondContact O-CB 3.48Å; E359-R363 PolarHBondContact O-N 2.9Å; E359-R363 VanDerWaalsContact O-N 3.1Å; V360-R363 PolarHBondContact O-N 3.27Å; V361-R363 PolarHBondContact O-N 3.34Å; R363-L365 PolarHBondContact O-N 3.31Å; R363-L366 PolarHBondContact O-N 2.83Å; R363-E367 WeakPolarHBondContact CD-OE1 3.4Å; R363-E367 HydrophobicContact CG-CG 4.4Å; R363-E367 WeakPolarHBondContact CG-OE1 3.42Å; R363-E367 WeakPolarHBondContact O-CB 3.14Å; R363-E367 WeakPolarHBondContact O-CG 3.1Å; R363-E367 PolarHBondContact O-N 2.83Å
364G98.5Very high97.7Very high0 Ų027.3 Ų27.30%013%0.131CC..Hα-helixtrans-63.3-42.4-178.100000112.6V360 V361 T362 E367 L368V360-G364 PolarHBondContact O-N 3.07Å; V361-G364 PolarHBondContact O-N 2.64Å; T362-G364 PolarHBondContact O-N 3.05Å; G364-E367 PolarHBondContact O-N 3.14Å; G364-L368 WeakPolarHBondContact O-CB 3.4Å; G364-L368 WeakPolarHBondContact O-CD1 3.46Å; G364-L368 VanDerWaalsContact O-CG 3.24Å; G364-L368 WeakPolarHBondContact O-CG 3.45Å; G364-L368 PolarHBondContact O-N 3.36Å
365L98.5Very high97.9Very high0 Ų024.9 Ų24.90%012%0.119CC..Hα-helixtrans-56.7-54.5173.3-178.7158.1000110.5V361 R363 E367 L368 Y369 Y467 F468 F471V361-L365 WeakPolarHBondContact O-CB 3.24Å; V361-L365 PolarHBondContact O-N 3.25Å; R363-L365 PolarHBondContact O-N 3.31Å; L365-E367 VanDerWaalsContact C-N 3.32Å; L365-E367 PolarHBondContact O-N 2.92Å; L365-L368 PolarHBondContact O-N 3.47Å; L365-Y369 HydrophobicContact CD2-CD2 3.76Å; L365-Y369 HydrophobicContact CD2-CE2 3.99Å; L365-Y369 HydrophobicContact CG-CD2 4.04Å; L365-Y369 HydrophobicContact CG-CE2 4.01Å; L365-Y369 VanDerWaalsContact O-CD2 3.32Å; L365-Y369 WeakPolarHBondContact O-CD2 3.35Å; L365-Y369 PolarHBondContact O-N 2.84Å; L365-Y369 VanDerWaalsContact O-N 3.07Å; L365-Y467 HydrophobicContact CD1-CD1 4.16Å; L365-Y467 HydrophobicContact CD1-CD2 3.4Å; L365-Y467 VanDerWaalsContact CD1-CD2 3.4Å; L365-Y467 HydrophobicContact CD1-CE2 3.8Å; L365-Y467 HydrophobicContact CD1-CG 3.6Å; L365-F468 HydrophobicContact CB-CE2 3.65Å; L365-F468 HydrophobicContact CB-CZ 4.04Å; L365-F468 HydrophobicContact CD1-CD2 3.59Å; L365-F468 HydrophobicContact CD1-CE2 3.51Å; L365-F468 HydrophobicContact CD1-CG 4.42Å; L365-F468 HydrophobicContact CD1-CZ 4.36Å; L365-F468 HydrophobicContact CG-CD2 4.04Å; L365-F468 HydrophobicContact CG-CE2 3.49Å; L365-F468 VanDerWaalsContact CG-CE2 3.49Å; L365-F468 HydrophobicContact CG-CZ 3.89Å; L365-F471 HydrophobicContact CD1-CB 4.38Å; L365-F471 HydrophobicContact CD2-CB 4.05Å; L365-F471 HydrophobicContact CD2-CD1 3.6Å; L365-F471 HydrophobicContact CD2-CD2 3.95Å; L365-F471 HydrophobicContact CD2-CE1 3.93Å; L365-F471 HydrophobicContact CD2-CE2 4.28Å; L365-F471 HydrophobicContact CD2-CG 3.58Å; L365-F471 HydrophobicContact CD2-CZ 4.26Å
366L98.6Very high98Very high12 Ų1226.3 Ų26.36%0.06313%0.13CC..Hα-helixtrans-60.5-40.6-179.2-68.5-175.4000111.8T362 R363 Q370 F377 Y393 F407 F471T362-L366 HydrophobicContact CG2-CD1 4.01Å; T362-L366 HydrophobicContact CG2-CG 4.33Å; T362-L366 WeakPolarHBondContact O-CB 3.26Å; T362-L366 WeakPolarHBondContact O-CG 3.43Å; T362-L366 PolarHBondContact O-N 3.2Å; R363-L366 PolarHBondContact O-N 2.83Å; L366-Q370 VanDerWaalsContact O-CB 3.29Å; L366-Q370 WeakPolarHBondContact O-CB 3.14Å; L366-Q370 WeakPolarHBondContact O-CG 3.41Å; L366-Q370 PolarHBondContact O-N 2.78Å; L366-Q370 PolarHBondContact O-NE2 2.98Å; L366-Q370 VanDerWaalsContact O-NE2 3.1Å; L366-F377 HydrophobicContact CB-CD2 3.9Å; L366-F377 HydrophobicContact CB-CE2 4.38Å; L366-F377 HydrophobicContact CD2-CD2 3.64Å; L366-F377 HydrophobicContact CD2-CE2 3.91Å; L366-F377 HydrophobicContact CG-CD2 4.22Å; L366-Y393 HydrophobicContact CD1-CD1 4.3Å; L366-Y393 HydrophobicContact CD1-CE1 3.69Å; L366-F407 HydrophobicContact CD2-CE2 4.29Å; L366-F407 HydrophobicContact CD2-CZ 3.81Å; L366-F471 HydrophobicContact CD2-CE1 4.11Å; L366-F471 HydrophobicContact CD2-CE2 3.65Å; L366-F471 HydrophobicContact CD2-CZ 3.35Å
367E98.5Very high98Very high79 Ų7927.4 Ų27.437%0.36914%0.135SC..Hα-helixtrans-62.9-43.6175.7-75170.7-173.500112.9R363 G364 L365 Q370 E371R363-E367 WeakPolarHBondContact CD-OE1 3.4Å; R363-E367 HydrophobicContact CG-CG 4.4Å; R363-E367 WeakPolarHBondContact CG-OE1 3.42Å; R363-E367 WeakPolarHBondContact O-CB 3.14Å; R363-E367 WeakPolarHBondContact O-CG 3.1Å; R363-E367 PolarHBondContact O-N 2.83Å; G364-E367 PolarHBondContact O-N 3.14Å; L365-E367 VanDerWaalsContact C-N 3.32Å; L365-E367 PolarHBondContact O-N 2.92Å; E367-Q370 PolarHBondContact O-N 3.44Å; E367-E371 PolarHBondContact O-N 2.97Å; E367-E371 VanDerWaalsContact O-N 3.08Å
368L98.5Very high98.1Very high2 Ų231.9 Ų31.91%0.0116%0.155CC..Hα-helixtrans-60.4-49177.8-74.7162.9000111.2G364 L365 E371 L372 F468 P513 R516 M517 M629G364-L368 WeakPolarHBondContact O-CB 3.4Å; G364-L368 WeakPolarHBondContact O-CD1 3.46Å; G364-L368 VanDerWaalsContact O-CG 3.24Å; G364-L368 WeakPolarHBondContact O-CG 3.45Å; G364-L368 PolarHBondContact O-N 3.36Å; L365-L368 PolarHBondContact O-N 3.47Å; L368-E371 PolarHBondContact O-N 3.02Å; L368-L372 VanDerWaalsContact O-CB 3.27Å; L368-L372 WeakPolarHBondContact O-CB 3.13Å; L368-L372 PolarHBondContact O-N 3.27Å; L368-F468 HydrophobicContact CD1-CE1 4.35Å; L368-F468 HydrophobicContact CD1-CZ 3.75Å; L368-P513 HydrophobicContact CD1-CB 3.88Å; L368-P513 HydrophobicContact CD2-CB 4.17Å; L368-P513 HydrophobicContact CD2-CG 4.42Å; L368-R516 VanDerWaalsContact CD2-CZ 3.49Å; L368-M517 HydrophobicContact CD1-CE 4.08Å; L368-M517 HydrophobicContact CD1-CG 3.85Å; L368-M517 HydrophobicContact CD1-SD 3.81Å; L368-M629 HydrophobicContact CD2-CE 3.67Å; L368-M629 HydrophobicContact CD2-SD 3.56Å; L368-M629 VanDerWaalsContact CD2-SD 3.56Å
369Y98.4Very high98.1Very high3 Ų336.1 Ų36.11%0.01218%0.178CC..Hα-helixtrans-66.1-39178.7-84.4-80.1000113.2L365 E371 L372 L373 F468 F471 G472 M475 L504L365-Y369 HydrophobicContact CD2-CD2 3.76Å; L365-Y369 HydrophobicContact CD2-CE2 3.99Å; L365-Y369 HydrophobicContact CG-CD2 4.04Å; L365-Y369 HydrophobicContact CG-CE2 4.01Å; L365-Y369 VanDerWaalsContact O-CD2 3.32Å; L365-Y369 WeakPolarHBondContact O-CD2 3.35Å; L365-Y369 PolarHBondContact O-N 2.84Å; L365-Y369 VanDerWaalsContact O-N 3.07Å; Y369-E371 VanDerWaalsContact C-N 3.32Å; Y369-E371 PolarHBondContact O-N 3.14Å; Y369-L372 PolarHBondContact O-N 2.79Å; Y369-L373 HydrophobicContact CD1-CD1 3.89Å; Y369-L373 HydrophobicContact CD1-CG 4.48Å; Y369-L373 WeakPolarHBondContact O-CB 3.44Å; Y369-L373 PolarHBondContact O-N 3.39Å; Y369-F468 HydrophobicContact CE2-CD1 4.04Å; Y369-F468 AromaticContact CE2-CE1 3.92Å; Y369-F468 HydrophobicContact CE2-CE1 3.92Å; Y369-F468 HydrophobicContact CE2-CZ 4.4Å; Y369-F468 PolarHBondContact OH-O 3.34Å; Y369-F471 HydrophobicContact CD1-CD1 4.01Å; Y369-F471 HydrophobicContact CD1-CE1 4.22Å; Y369-F471 AromaticContact CD2-CD1 3.36Å; Y369-F471 HydrophobicContact CD2-CD1 3.36Å; Y369-F471 AromaticContact CD2-CE1 3.72Å; Y369-F471 HydrophobicContact CD2-CE1 3.72Å; Y369-F471 HydrophobicContact CD2-CG 4.42Å; Y369-F471 HydrophobicContact CE1-CD1 4.04Å; Y369-F471 HydrophobicContact CE2-CB 4.15Å; Y369-F471 AromaticContact CE2-CD1 3.44Å; Y369-F471 HydrophobicContact CE2-CD1 3.44Å; Y369-F471 VanDerWaalsContact CE2-CD1 3.44Å; Y369-F471 HydrophobicContact CE2-CE1 4.27Å; Y369-F471 HydrophobicContact CE2-CG 4.2Å; Y369-F471 AromaticContact CG-CD1 3.65Å; Y369-F471 HydrophobicContact CG-CD1 3.65Å; Y369-F471 AromaticContact CG-CE1 3.68Å; Y369-F471 HydrophobicContact CG-CE1 3.68Å; Y369-F471 AromaticContact CZ-CD1 3.76Å; Y369-G472 PolarHBondContact OH-N 3.29Å; Y369-M475 HydrophobicContact CD1-CG 3.6Å; Y369-M475 HydrophobicContact CD1-SD 4.49Å; Y369-M475 HydrophobicContact CE1-CB 4.5Å; Y369-M475 HydrophobicContact CE1-CG 3.83Å; Y369-M475 HydrophobicContact CG-CG 4.34Å; Y369-L504 HydrophobicContact CE1-CD1 3.69Å; Y369-L504 HydrophobicContact CE1-CD2 3.78Å; Y369-L504 HydrophobicContact CE1-CG 4.25Å; Y369-L504 WeakPolarHBondContact OH-CB 3.31Å; Y369-L504 WeakPolarHBondContact OH-CD1 3.45Å
370Q98.5Very high98.2Very high31 Ų3131.7 Ų31.715%0.14516%0.157CC..Hα-helixtrans-61.2-41.3176.5-79.6178.1106.600112.5L366 E367 G374 L375 F377L366-Q370 VanDerWaalsContact O-CB 3.29Å; L366-Q370 WeakPolarHBondContact O-CB 3.14Å; L366-Q370 WeakPolarHBondContact O-CG 3.41Å; L366-Q370 PolarHBondContact O-N 2.78Å; L366-Q370 PolarHBondContact O-NE2 2.98Å; L366-Q370 VanDerWaalsContact O-NE2 3.1Å; E367-Q370 PolarHBondContact O-N 3.44Å; Q370-G374 WeakPolarHBondContact O-CA 3.47Å; Q370-G374 PolarHBondContact O-N 3.19Å; Q370-L375 CarbonylContact C-O 3.49Å; Q370-L375 VanDerWaalsContact CA-O 3.3Å; Q370-L375 WeakPolarHBondContact CA-O 3.35Å; Q370-L375 WeakPolarHBondContact CB-O 3.16Å; Q370-L375 VanDerWaalsContact CG-O 3.26Å; Q370-L375 WeakPolarHBondContact CG-O 3.42Å; Q370-L375 PolarHBondContact O-N 3.18Å; Q370-F377 HydrophobicContact CG-CB 4.29Å; Q370-F377 HydrophobicContact CG-CD1 4.01Å; Q370-F377 HydrophobicContact CG-CD2 3.4Å; Q370-F377 HydrophobicContact CG-CE1 4.14Å; Q370-F377 HydrophobicContact CG-CE2 3.58Å; Q370-F377 HydrophobicContact CG-CG 3.63Å; Q370-F377 HydrophobicContact CG-CZ 3.94Å
371E98.1Very high98Very high66 Ų6636 Ų3631%0.30819%0.193SC..Hα-helixtrans-68.7-51176-176.7176.9176.300111.4E367 L368 Y369 L373 R516 M629E367-E371 PolarHBondContact O-N 2.97Å; E367-E371 VanDerWaalsContact O-N 3.08Å; L368-E371 PolarHBondContact O-N 3.02Å; Y369-E371 VanDerWaalsContact C-N 3.32Å; Y369-E371 PolarHBondContact O-N 3.14Å; E371-L373 PolarHBondContact O-N 2.78Å; E371-R516 IonicContact OE2-CZ 2.95Å; E371-R516 VanDerWaalsContact OE2-CZ 3.28Å; E371-R516 IonicContact OE2-NH1 2.78Å; E371-R516 PolarHBondContact OE2-NH1 3.17Å; E371-R516 IonicContact OE2-NH2 3.78Å; E371-R516 PolarHBondContact OE2-NH2 2.73Å; E371-M629 HydrophobicContact CB-CE 4.16Å; E371-M629 HydrophobicContact CG-CE 4.04Å
372L97.8Very high97.4Very high3 Ų340.9 Ų40.92%0.01623%0.233CC..Hα-helixtrans-61.3-43.1-176.3-169.166.5000112.4L368 Y369 L504 W507 F623 G634L368-L372 VanDerWaalsContact O-CB 3.27Å; L368-L372 WeakPolarHBondContact O-CB 3.13Å; L368-L372 PolarHBondContact O-N 3.27Å; Y369-L372 PolarHBondContact O-N 2.79Å; L372-L504 HydrophobicContact CD2-CD2 4.04Å; L372-W507 HydrophobicContact CD1-CZ2 3.88Å; L372-W507 HydrophobicContact CD2-CH2 4.11Å; L372-W507 HydrophobicContact CD2-CZ2 3.61Å; L372-W507 HydrophobicContact CG-CZ2 4.42Å; L372-F623 HydrophobicContact CD1-CD1 4.42Å; L372-F623 HydrophobicContact CD1-CE1 3.69Å; L372-F623 HydrophobicContact CD1-CZ 4.49Å; L372-G634 CarbonylContact O-C 2.95Å; L372-G634 VanDerWaalsContact O-C 3.28Å; L372-G634 WeakPolarHBondContact O-CA 3.22Å
373L98.1Very high97.1Very high0 Ų042.2 Ų42.20%024%0.242CC..Hα-helixtrans-99.3-1-172.1-56.7-178.1000113.7Y369 E371 L375 M475 Y637 R638 L642Y369-L373 HydrophobicContact CD1-CD1 3.89Å; Y369-L373 HydrophobicContact CD1-CG 4.48Å; Y369-L373 WeakPolarHBondContact O-CB 3.44Å; Y369-L373 PolarHBondContact O-N 3.39Å; E371-L373 PolarHBondContact O-N 2.78Å; L373-L375 HydrophobicContact CB-CD1 3.7Å; L373-L375 HydrophobicContact CB-CG 3.87Å; L373-L375 HydrophobicContact CD1-CD1 4.08Å; L373-M475 HydrophobicContact CD1-CB 3.78Å; L373-M475 HydrophobicContact CD1-CG 3.65Å; L373-M475 HydrophobicContact CD1-SD 3.82Å; L373-Y637 HydrophobicContact CD2-CD1 3.93Å; L373-Y637 HydrophobicContact CD2-CE1 4.26Å; L373-R638 HydrophobicContact CD2-CB 4.22Å; L373-R638 WeakPolarHBondContact O-CD 3.49Å; L373-R638 PolarHBondContact O-NH1 3.06Å; L373-L642 HydrophobicContact CD2-CD1 4.36Å
374G97.9Very high96.9Very high17 Ų1741 Ų4118%0.17525%0.249CC..THydrogen-bonded Turntrans66.141.8-176.700000113.1Q370 R398Q370-G374 WeakPolarHBondContact O-CA 3.47Å; Q370-G374 PolarHBondContact O-N 3.19Å; G374-R398 WeakPolarHBondContact O-CB 3.16Å; G374-R398 PolarHBondContact O-N 3.11Å
375L98.4Very high96.8Very high1 Ų142.3 Ų42.31%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-119.9156.3-173.5-61.7175.2000112.1Q370 L373 F377 V395 R396 R398 V404 M475Q370-L375 CarbonylContact C-O 3.49Å; Q370-L375 VanDerWaalsContact CA-O 3.3Å; Q370-L375 WeakPolarHBondContact CA-O 3.35Å; Q370-L375 WeakPolarHBondContact CB-O 3.16Å; Q370-L375 VanDerWaalsContact CG-O 3.26Å; Q370-L375 WeakPolarHBondContact CG-O 3.42Å; Q370-L375 PolarHBondContact O-N 3.18Å; L373-L375 HydrophobicContact CB-CD1 3.7Å; L373-L375 HydrophobicContact CB-CG 3.87Å; L373-L375 HydrophobicContact CD1-CD1 4.08Å; L375-F377 HydrophobicContact CB-CD1 4.34Å; L375-F377 HydrophobicContact CB-CE1 3.62Å; L375-F377 HydrophobicContact CB-CZ 4.25Å; L375-F377 HydrophobicContact CD1-CE1 3.93Å; L375-F377 HydrophobicContact CD1-CZ 4.3Å; L375-F377 HydrophobicContact CG-CE1 4.42Å; L375-V395 HydrophobicContact CB-CG1 4.18Å; L375-V395 HydrophobicContact CD1-CG1 4Å; L375-V395 HydrophobicContact CD2-CG1 4.07Å; L375-V395 HydrophobicContact CG-CG1 4.31Å; L375-R396 CarbonylContact C-O 3.48Å; L375-R396 WeakPolarHBondContact CA-O 3.24Å; L375-R398 WeakPolarHBondContact O-CD 3.47Å; L375-R398 PolarHBondContact O-NE 3.44Å; L375-V404 HydrophobicContact CD2-CG2 4.03Å; L375-M475 HydrophobicContact CD1-SD 4.04Å
376S98.3Very high96.8Very high41 Ų4143.3 Ų43.329%0.28726%0.264SS..EExtended strand (participates in β ladder)trans-120.7134.3168.163.30000110.2V395 R396S376-V395 WeakPolarHBondContact O-CA 3.25Å; S376-R396 PolarHBondContact N-O 2.68Å; S376-R396 PolarHBondContact O-N 3.04Å
377F98.4Very high96.7Very high23 Ų2344.7 Ų44.710%0.10127%0.27CS..EExtended strand (participates in β ladder)trans-111.2121.4179.8-53.2-25.9000109.7L366 Q370 L375 Y393 C394 V395 F407 F471 M475L366-F377 HydrophobicContact CB-CD2 3.9Å; L366-F377 HydrophobicContact CB-CE2 4.38Å; L366-F377 HydrophobicContact CD2-CD2 3.64Å; L366-F377 HydrophobicContact CD2-CE2 3.91Å; L366-F377 HydrophobicContact CG-CD2 4.22Å; Q370-F377 HydrophobicContact CG-CB 4.29Å; Q370-F377 HydrophobicContact CG-CD1 4.01Å; Q370-F377 HydrophobicContact CG-CD2 3.4Å; Q370-F377 HydrophobicContact CG-CE1 4.14Å; Q370-F377 HydrophobicContact CG-CE2 3.58Å; Q370-F377 HydrophobicContact CG-CG 3.63Å; Q370-F377 HydrophobicContact CG-CZ 3.94Å; L375-F377 HydrophobicContact CB-CD1 4.34Å; L375-F377 HydrophobicContact CB-CE1 3.62Å; L375-F377 HydrophobicContact CB-CZ 4.25Å; L375-F377 HydrophobicContact CD1-CE1 3.93Å; L375-F377 HydrophobicContact CD1-CZ 4.3Å; L375-F377 HydrophobicContact CG-CE1 4.42Å; F377-Y393 HydrophobicContact CB-CD1 4.29Å; F377-C394 WeakPolarHBondContact CA-O 3.07Å; F377-V395 HydrophobicContact CD1-CB 4.14Å; F377-V395 HydrophobicContact CD1-CG1 3.76Å; F377-V395 HydrophobicContact CD1-CG2 3.68Å; F377-V395 HydrophobicContact CE1-CB 4.36Å; F377-V395 HydrophobicContact CE1-CG1 3.6Å; F377-V395 HydrophobicContact CE1-CG2 3.94Å; F377-F407 HydrophobicContact CD1-CE1 4.25Å; F377-F407 HydrophobicContact CD2-CE1 4.4Å; F377-F407 HydrophobicContact CD2-CZ 4.34Å; F377-F407 HydrophobicContact CG-CE1 4.18Å; F377-F407 HydrophobicContact CG-CZ 4.39Å; F377-F471 HydrophobicContact CD2-CZ 4.42Å; F377-F471 AromaticContact CE2-CE1 3.88Å; F377-F471 HydrophobicContact CE2-CE1 3.88Å; F377-F471 AromaticContact CE2-CZ 3.79Å; F377-F471 HydrophobicContact CE2-CZ 3.79Å; F377-F471 HydrophobicContact CZ-CE1 4.16Å; F377-F471 HydrophobicContact CZ-CZ 4.21Å; F377-M475 HydrophobicContact CE1-SD 4.23Å; F377-M475 HydrophobicContact CZ-CE 4.18Å; F377-M475 HydrophobicContact CZ-SD 3.7Å
378Q97.8Very high96.6Very high107 Ų10746.7 Ų46.750%0.529%0.29SS..EExtended strand (participates in β ladder)trans-113.4121.5179.5-178.1177.70.500109.3E380 Y393 C394Q378-E380 PolarHBondContact O-N 3.19Å; Q378-Y393 CarbonylContact O-C 3.57Å; Q378-Y393 VanDerWaalsContact O-CA 3.27Å; Q378-Y393 WeakPolarHBondContact O-CA 3.5Å; Q378-C394 PolarHBondContact N-O 3.3Å; Q378-C394 PolarHBondContact O-N 3.24Å
379L97.7Very high96.4Very high97 Ų9750.3 Ų50.351%0.50831%0.309SS..EExtended strand (participates in β ladder)trans-66.5127.6172.8179.467.6000109.7T391 Y393L379-T391 HydrophobicContact CD1-CG2 4.26Å; L379-Y393 HydrophobicContact CB-CD1 4.15Å; L379-Y393 HydrophobicContact CB-CE1 3.85Å; L379-Y393 HydrophobicContact CD1-CD1 4.45Å; L379-Y393 HydrophobicContact CD1-CD2 4.27Å; L379-Y393 HydrophobicContact CD1-CE1 4.02Å; L379-Y393 HydrophobicContact CD1-CE2 3.8Å
380E96.9Very high96.4Very high62 Ų6250.5 Ų50.529%0.2931%0.31SS..PPolyproline II helixtrans-80.3132.6174.8-68.3-6516500110.4Q378 L392 C394Q378-E380 PolarHBondContact O-N 3.19Å; E380-L392 HydrophobicContact CB-CB 4.25Å; E380-L392 HydrophobicContact CB-CD2 4.3Å; E380-L392 HydrophobicContact CB-CG 4.22Å; E380-L392 WeakPolarHBondContact CB-O 3.35Å; E380-L392 HydrophobicContact CG-CD2 4.18Å; E380-L392 HydrophobicContact CG-CG 4.06Å; E380-L392 PolarHBondContact N-O 2.98Å; E380-C394 HydrophobicContact CG-CB 4.37Å; E380-C394 WeakPolarHBondContact OE1-CB 3.33Å
381A92.9Very high96.4Very high95 Ų9551.3 Ų51.379%0.78532%0.318SS*.SBendtrans-80.4128.9177.900000110.4
382A86.8Confident96.4Very high103 Ų10348.7 Ų48.785%0.85131%0.306SS*.SBendtrans50.357.917800000114.1
383P92.1Very high96.5Very high41 Ų4150.1 Ų50.127%0.26631%0.311SS..  trans-67.9149.3-178.231.3-35.8000111.5A385 L392P383-A385 PolarHBondContact O-N 3.49Å; P383-L392 HydrophobicContact CB-CB 3.57Å; P383-L392 HydrophobicContact CB-CD2 3.79Å; P383-L392 HydrophobicContact CB-CG 4.32Å; P383-L392 HydrophobicContact CG-CB 3.93Å
384S93.7Very high96.5Very high77 Ų7750.4 Ų50.454%0.53831%0.313SS..  trans-68.2115.1161.6-174.90000108
385A97.2Very high96.5Very high28 Ų2849.6 Ų49.623%0.23131%0.305CS..  trans-142160.3-178.500000110.8P383 H387 V390 Y408P383-A385 PolarHBondContact O-N 3.49Å; A385-H387 VanDerWaalsContact C-N 3.27Å; A385-H387 PolarHBondContact O-N 3.43Å; A385-V390 HydrophobicContact CB-CB 3.89Å; A385-V390 HydrophobicContact CB-CG1 3.92Å; A385-Y408 HydrophobicContact CB-CE1 4.47Å
386W97.9Very high96.4Very high22 Ų2253.9 Ų53.98%0.08332%0.321CS..SBendtrans-76-11.3-179.154.185.8000114.1W23 F81 V85 V390 Y408 D410 A443W23-W386 HydrophobicContact CB-CB 4.27Å; W23-W386 AromaticContact CD2-CE3 3.69Å; W23-W386 HydrophobicContact CD2-CE3 3.69Å; W23-W386 HydrophobicContact CD2-CZ3 4.15Å; W23-W386 AromaticContact CE2-CE3 3.7Å; W23-W386 AromaticContact CE2-CZ3 3.67Å; W23-W386 HydrophobicContact CE3-CE3 4.21Å; W23-W386 AromaticContact CG-CE3 3.89Å; W23-W386 HydrophobicContact CG-CE3 3.89Å; W23-W386 HydrophobicContact CH2-CZ3 4.42Å; W23-W386 HydrophobicContact CZ2-CE3 4.21Å; W23-W386 AromaticContact CZ2-CZ3 3.81Å; W23-W386 HydrophobicContact CZ2-CZ3 3.81Å; W23-W386 AromaticContact NE1-CE3 3.88Å; W23-W386 AromaticContact NE1-CZ3 3.87Å; F81-W386 HydrophobicContact CE1-CD2 4.14Å; F81-W386 AromaticContact CE1-CE3 3.94Å; F81-W386 HydrophobicContact CE1-CE3 3.94Å; F81-W386 AromaticContact CE1-CH2 3.61Å; F81-W386 HydrophobicContact CE1-CH2 3.61Å; F81-W386 AromaticContact CE1-CZ2 3.82Å; F81-W386 HydrophobicContact CE1-CZ2 3.82Å; F81-W386 AromaticContact CE1-CZ3 3.69Å; F81-W386 HydrophobicContact CE1-CZ3 3.69Å; F81-W386 HydrophobicContact CZ-CH2 4Å; F81-W386 AromaticContact CZ-CZ2 4Å; F81-W386 HydrophobicContact CZ-CZ2 4Å; V85-W386 HydrophobicContact CB-CD2 4.47Å; V85-W386 HydrophobicContact CB-CG 4.16Å; V85-W386 HydrophobicContact CG2-CB 4.27Å; V85-W386 HydrophobicContact CG2-CD2 3.87Å; V85-W386 HydrophobicContact CG2-CG 3.64Å; W386-V390 HydrophobicContact CD2-CG2 4.48Å; W386-V390 HydrophobicContact CH2-CG1 4.21Å; W386-V390 HydrophobicContact CZ2-CG1 3.92Å; W386-V390 HydrophobicContact CZ2-CG2 4.21Å; W386-Y408 VanDerWaalsContact CH2-CB 3.49Å; W386-Y408 AromaticContact CH2-CD1 3.89Å; W386-Y408 HydrophobicContact CH2-CD1 3.89Å; W386-Y408 AromaticContact CH2-CD2 3.98Å; W386-Y408 HydrophobicContact CH2-CD2 3.98Å; W386-Y408 AromaticContact CH2-CG 3.52Å; W386-Y408 HydrophobicContact CH2-CG 3.52Å; W386-Y408 AromaticContact CZ3-CD1 3.82Å; W386-Y408 HydrophobicContact CZ3-CD1 3.82Å; W386-Y408 AromaticContact CZ3-CD2 3.99Å; W386-Y408 HydrophobicContact CZ3-CD2 3.99Å; W386-Y408 HydrophobicContact CZ3-CE1 4.11Å; W386-Y408 HydrophobicContact CZ3-CE2 4.28Å; W386-Y408 AromaticContact CZ3-CG 3.76Å; W386-Y408 HydrophobicContact CZ3-CG 3.76Å; W386-D410 HydrophobicContact CZ2-CB 4.05Å; W386-D410 PolarHBondContact NE1-OD2 3.13Å; W386-A443 HydrophobicContact CH2-CB 3.74Å; W386-A443 HydrophobicContact CZ2-CB 4.3Å
387H97.4Very high96.3Very high41 Ų4152.8 Ų52.819%0.1931%0.312CS..SBendtrans-153.9146.1178.9-169.4-91.7000111A385 D389 V390A385-H387 VanDerWaalsContact C-N 3.27Å; A385-H387 PolarHBondContact O-N 3.43Å; H387-D389 VanDerWaalsContact C-N 3.28Å; H387-D389 IonicContact CE1-OD2 3.27Å; H387-D389 PolarHBondContact CE1-OD2 3.3Å; H387-D389 PolarHBondContact ND1-N 3.12Å; H387-D389 IonicContact ND1-OD2 3.26Å; H387-D389 PolarHBondContact O-N 3.48Å; H387-V390 HydrophobicContact CB-CG2 3.88Å; H387-V390 WeakPolarHBondContact O-CB 3.46Å; H387-V390 PolarHBondContact O-N 3.27Å; H387-V390 VanDerWaalsContact O-N 3.1Å
388P95.9Very high96.1Very high121 Ų12158.2 Ų58.279%0.78633%0.332SS*.THydrogen-bonded Turntrans-59.7-30.3-178.2-27.435.7000115.6V390P388-V390 PolarHBondContact O-N 3.29Å
389D94.8Very high95.7Very high77 Ų7757.9 Ų57.941%0.41235%0.347SS..THydrogen-bonded Turntrans-76-5.8179-61.2-20.9000113.7H387 Y412H387-D389 VanDerWaalsContact C-N 3.28Å; H387-D389 IonicContact CE1-OD2 3.27Å; H387-D389 PolarHBondContact CE1-OD2 3.3Å; H387-D389 PolarHBondContact ND1-N 3.12Å; H387-D389 IonicContact ND1-OD2 3.26Å; H387-D389 PolarHBondContact O-N 3.48Å; D389-Y412 HydrophobicContact CB-CD2 4.15Å
390V97.9Very high95.2Very high7 Ų756.4 Ų56.44%0.04235%0.349CS..  trans-85.1130.8-176.31770000109.7A385 W386 H387 P388 Y408 L409 D410A385-V390 HydrophobicContact CB-CB 3.89Å; A385-V390 HydrophobicContact CB-CG1 3.92Å; W386-V390 HydrophobicContact CD2-CG2 4.48Å; W386-V390 HydrophobicContact CH2-CG1 4.21Å; W386-V390 HydrophobicContact CZ2-CG1 3.92Å; W386-V390 HydrophobicContact CZ2-CG2 4.21Å; H387-V390 HydrophobicContact CB-CG2 3.88Å; H387-V390 WeakPolarHBondContact O-CB 3.46Å; H387-V390 PolarHBondContact O-N 3.27Å; H387-V390 VanDerWaalsContact O-N 3.1Å; P388-V390 PolarHBondContact O-N 3.29Å; V390-Y408 HydrophobicContact CG1-CD1 3.76Å; V390-Y408 HydrophobicContact CG1-CG 4.39Å; V390-L409 WeakPolarHBondContact CA-O 3.48Å; V390-D410 HydrophobicContact CG2-CB 3.92Å
391T98.1Very high94.8Very high49 Ų4955.6 Ų55.630%0.30136%0.358SS..EExtended strand (participates in β ladder)trans-108.7151.5175.154.60000110.5L379 Y408 L409L379-T391 HydrophobicContact CD1-CG2 4.26Å; T391-Y408 CarbonylContact O-C 3.54Å; T391-Y408 VanDerWaalsContact O-CA 3.24Å; T391-Y408 WeakPolarHBondContact O-CA 3.19Å; T391-L409 PolarHBondContact N-O 3.27Å; T391-L409 PolarHBondContact O-N 2.87Å
392L98.6Very high94.6Very high11 Ų1154.2 Ų54.26%0.05834%0.335CS..EExtended strand (participates in β ladder)trans-124.2134.7179.2175.361.5000109.3E380 P383 Q406 F407 Y408E380-L392 HydrophobicContact CB-CB 4.25Å; E380-L392 HydrophobicContact CB-CD2 4.3Å; E380-L392 HydrophobicContact CB-CG 4.22Å; E380-L392 WeakPolarHBondContact CB-O 3.35Å; E380-L392 HydrophobicContact CG-CD2 4.18Å; E380-L392 HydrophobicContact CG-CG 4.06Å; E380-L392 PolarHBondContact N-O 2.98Å; P383-L392 HydrophobicContact CB-CB 3.57Å; P383-L392 HydrophobicContact CB-CD2 3.79Å; P383-L392 HydrophobicContact CB-CG 4.32Å; P383-L392 HydrophobicContact CG-CB 3.93Å; L392-Q406 HydrophobicContact CD1-CB 3.94Å; L392-Q406 HydrophobicContact CD1-CG 4.45Å; L392-F407 WeakPolarHBondContact CA-O 3.38Å; L392-F407 WeakPolarHBondContact CD1-O 3.3Å; L392-Y408 HydrophobicContact CB-CD1 4.01Å; L392-Y408 HydrophobicContact CB-CE1 3.99Å; L392-Y408 HydrophobicContact CD1-CD1 3.87Å; L392-Y408 HydrophobicContact CD1-CD2 3.96Å; L392-Y408 HydrophobicContact CD1-CE1 3.75Å; L392-Y408 HydrophobicContact CD1-CE2 3.82Å; L392-Y408 HydrophobicContact CD1-CG 3.98Å; L392-Y408 HydrophobicContact CD2-CE1 4.03Å; L392-Y408 HydrophobicContact CG-CD1 4.42Å; L392-Y408 HydrophobicContact CG-CE1 4.13Å
393Y98.6Very high95Very high32 Ų3250 Ų5013%0.12530%0.299CS..EExtended strand (participates in β ladder)trans-120.9138.9177-68.6-102.4000110.9L366 F377 Q378 L379 Q406 F407 L409L366-Y393 HydrophobicContact CD1-CD1 4.3Å; L366-Y393 HydrophobicContact CD1-CE1 3.69Å; F377-Y393 HydrophobicContact CB-CD1 4.29Å; Q378-Y393 CarbonylContact O-C 3.57Å; Q378-Y393 VanDerWaalsContact O-CA 3.27Å; Q378-Y393 WeakPolarHBondContact O-CA 3.5Å; L379-Y393 HydrophobicContact CB-CD1 4.15Å; L379-Y393 HydrophobicContact CB-CE1 3.85Å; L379-Y393 HydrophobicContact CD1-CD1 4.45Å; L379-Y393 HydrophobicContact CD1-CD2 4.27Å; L379-Y393 HydrophobicContact CD1-CE1 4.02Å; L379-Y393 HydrophobicContact CD1-CE2 3.8Å; Y393-Q406 CarbonylContact O-C 3.58Å; Y393-Q406 WeakPolarHBondContact O-CA 3.16Å; Y393-Q406 WeakPolarHBondContact O-CB 3.44Å; Y393-F407 HydrophobicContact CD1-CZ 4.17Å; Y393-F407 HydrophobicContact CD2-CD2 4.11Å; Y393-F407 AromaticContact CD2-CE2 3.39Å; Y393-F407 HydrophobicContact CD2-CE2 3.39Å; Y393-F407 AromaticContact CD2-CZ 3.84Å; Y393-F407 HydrophobicContact CD2-CZ 3.84Å; Y393-F407 HydrophobicContact CE2-CE2 4.19Å; Y393-F407 HydrophobicContact CG-CD2 4.44Å; Y393-F407 HydrophobicContact CG-CE1 4.3Å; Y393-F407 AromaticContact CG-CE2 3.6Å; Y393-F407 HydrophobicContact CG-CE2 3.6Å; Y393-F407 AromaticContact CG-CZ 3.52Å; Y393-F407 HydrophobicContact CG-CZ 3.52Å; Y393-F407 PolarHBondContact N-O 2.77Å; Y393-F407 PolarHBondContact O-N 3.48Å; Y393-L409 HydrophobicContact CD2-CD1 4.28Å; Y393-L409 HydrophobicContact CD2-CG 4.45Å; Y393-L409 HydrophobicContact CE2-CD1 3.72Å; Y393-L409 HydrophobicContact CE2-CG 4.27Å
394C98.2Very high95.1Very high6 Ų648.7 Ų48.74%0.04129%0.29CS..EExtended strand (participates in β ladder)trans-94.9132167.9-177.90000110.4F377 Q378 E380 Q406F377-C394 WeakPolarHBondContact CA-O 3.07Å; Q378-C394 PolarHBondContact N-O 3.3Å; Q378-C394 PolarHBondContact O-N 3.24Å; E380-C394 HydrophobicContact CG-CB 4.37Å; E380-C394 WeakPolarHBondContact OE1-CB 3.33Å; C394-Q406 HydrophobicContact CB-CG 4.33Å
395V98.3Very high95.3Very high0 Ų045 Ų450%026%0.264CS..EExtended strand (participates in β ladder)trans-108.5127.9-177.7-176.30000109.6L375 S376 F377 V404 G405 F407 L478L375-V395 HydrophobicContact CB-CG1 4.18Å; L375-V395 HydrophobicContact CD1-CG1 4Å; L375-V395 HydrophobicContact CD2-CG1 4.07Å; L375-V395 HydrophobicContact CG-CG1 4.31Å; S376-V395 WeakPolarHBondContact O-CA 3.25Å; F377-V395 HydrophobicContact CD1-CB 4.14Å; F377-V395 HydrophobicContact CD1-CG1 3.76Å; F377-V395 HydrophobicContact CD1-CG2 3.68Å; F377-V395 HydrophobicContact CE1-CB 4.36Å; F377-V395 HydrophobicContact CE1-CG1 3.6Å; F377-V395 HydrophobicContact CE1-CG2 3.94Å; V395-V404 HydrophobicContact CB-CB 4.43Å; V395-V404 HydrophobicContact CG1-CB 4.06Å; V395-V404 HydrophobicContact CG1-CG1 4.44Å; V395-V404 PolarHBondContact O-N 3.21Å; V395-G405 WeakPolarHBondContact CB-O 3.41Å; V395-G405 PolarHBondContact N-O 2.88Å; V395-G405 PolarHBondContact O-N 3.18Å; V395-F407 HydrophobicContact CG2-CD1 3.58Å; V395-F407 HydrophobicContact CG2-CE1 3.56Å; V395-L478 HydrophobicContact CB-CD1 4.34Å; V395-L478 HydrophobicContact CG2-CD1 3.67Å
396R97.2Very high95.4Very high91 Ų9144.7 Ų44.734%0.34326%0.258SS..EExtended strand (participates in β ladder)trans-123.9148.8175.2-60.1174.4179.6-82.5-6.6110.9L375 S376 H402 V403L375-R396 CarbonylContact C-O 3.48Å; L375-R396 WeakPolarHBondContact CA-O 3.24Å; S376-R396 PolarHBondContact N-O 2.68Å; S376-R396 PolarHBondContact O-N 3.04Å; R396-H402 VanDerWaalsContact CA-O 3.27Å; R396-H402 WeakPolarHBondContact CA-O 3.36Å; R396-V403 HydrophobicContact CG-CG2 4.42Å
397D95.1Very high95.4Very high19 Ų1943.7 Ų43.710%0.10225%0.254CS..EExtended strand (participates in β ladder)trans-71.1129169.1-169.3-79.8000109.6A399 A400 G401 H402 V404 R638D397-A399 PolarHBondContact O-N 3.24Å; D397-A399 PolarHBondContact OD1-N 2.94Å; D397-A400 HydrophobicContact CB-CB 4.27Å; D397-A400 PolarHBondContact OD1-N 3.34Å; D397-G401 WeakPolarHBondContact O-CA 3.09Å; D397-G401 PolarHBondContact O-N 2.88Å; D397-H402 PolarHBondContact N-O 2.92Å; D397-V404 HydrophobicContact CB-CG2 4.05Å; D397-R638 IonicContact OD2-CZ 2.73Å; D397-R638 VanDerWaalsContact OD2-CZ 3.25Å; D397-R638 IonicContact OD2-NH1 2.7Å; D397-R638 PolarHBondContact OD2-NH1 2.72Å; D397-R638 IonicContact OD2-NH2 3.16Å; D397-R638 PolarHBondContact OD2-NH2 3.21Å
398R94.4Very high95.5Very high136 Ų13642 Ų4251%0.51325%0.246SC..THydrogen-bonded Turntrans-68.5-33.5-177.5-76.6-179.5177.6-173.4-5.1113.1G374 L375G374-R398 WeakPolarHBondContact O-CB 3.16Å; G374-R398 PolarHBondContact O-N 3.11Å; L375-R398 WeakPolarHBondContact O-CD 3.47Å; L375-R398 PolarHBondContact O-NE 3.44Å
399A90.8Very high95.6Very high100 Ų10036.3 Ų36.383%0.82621%0.209SC*.THydrogen-bonded Turntrans-83.7-46.2-176.100000110.9D397D397-A399 PolarHBondContact O-N 3.24Å; D397-A399 PolarHBondContact OD1-N 2.94Å
400A87.3Confident95.8Very high67 Ų6732.7 Ų32.755%0.55419%0.189SC*.THydrogen-bonded Turntrans-90.5-17.8-175.900000113.8D397 H402D397-A400 HydrophobicContact CB-CB 4.27Å; D397-A400 PolarHBondContact OD1-N 3.34Å; A400-H402 VanDerWaalsContact CB-CD2 3.41Å; A400-H402 WeakPolarHBondContact CB-CD2 3.41Å; A400-H402 PolarHBondContact O-N 3.49Å; A400-H402 VanDerWaalsContact O-N 3.07Å
401G87.9Confident95.7Very high45 Ų4533 Ų3346%0.46419%0.191SC..  trans71.9-6.8179.100000115.4D397D397-G401 WeakPolarHBondContact O-CA 3.09Å; D397-G401 PolarHBondContact O-N 2.88Å
402H89.1Confident95.4Very high66 Ų6633 Ų3331%0.30619%0.186SC..  trans-73.5156.1179.473.371.9000111.6R396 D397 A400R396-H402 VanDerWaalsContact CA-O 3.27Å; R396-H402 WeakPolarHBondContact CA-O 3.36Å; D397-H402 PolarHBondContact N-O 2.92Å; A400-H402 VanDerWaalsContact CB-CD2 3.41Å; A400-H402 WeakPolarHBondContact CB-CD2 3.41Å; A400-H402 PolarHBondContact O-N 3.49Å; A400-H402 VanDerWaalsContact O-N 3.07Å
403V94.4Very high94.8Very high15 Ų1534.8 Ų34.89%0.09120%0.198CC..EExtended strand (participates in β ladder)trans-69.4134.6173.8-179.70000109.1A17 R396 M439A17-V403 HydrophobicContact CB-CB 4.29Å; A17-V403 HydrophobicContact CB-CG1 4.43Å; A17-V403 HydrophobicContact CB-CG2 4.11Å; R396-V403 HydrophobicContact CG-CG2 4.42Å; V403-M439 HydrophobicContact CG1-CG 4.08Å; V403-M439 HydrophobicContact CG1-SD 3.43Å; V403-M439 WeakPolarHBondContact CG1-SD 3.27Å
404V94.5Very high94.3Very high13 Ų1335 Ų358%0.07920%0.198CC..EExtended strand (participates in β ladder)trans-99.5-44.6174.1173.60000109.6L375 V395 D397 L478L375-V404 HydrophobicContact CD2-CG2 4.03Å; V395-V404 HydrophobicContact CB-CB 4.43Å; V395-V404 HydrophobicContact CG1-CB 4.06Å; V395-V404 HydrophobicContact CG1-CG1 4.44Å; V395-V404 PolarHBondContact O-N 3.21Å; D397-V404 HydrophobicContact CB-CG2 4.05Å; V404-L478 HydrophobicContact CG1-CB 4.39Å; V404-L478 WeakPolarHBondContact CG1-O 3.44Å
405G97.6Very high93.5Very high0 Ų042.8 Ų42.80%023%0.234CC..EExtended strand (participates in β ladder)trans-178.5-176.4-172.300000113.9V395 S440V395-G405 WeakPolarHBondContact CB-O 3.41Å; V395-G405 PolarHBondContact N-O 2.88Å; V395-G405 PolarHBondContact O-N 3.18Å; G405-S440 CarbonylContact C-O 3.28Å; G405-S440 WeakPolarHBondContact CA-O 3.45Å
406Q98.6Very high92.6Very high21 Ų2144.3 Ų44.310%0.09825%0.25CC..EExtended strand (participates in β ladder)trans-132.1151168.3-76.9-179.5-25.800111.1N19 L392 Y393 C394 M439 S440 V441 A442 L478N19-Q406 PolarHBondContact ND2-OE1 2.73Å; L392-Q406 HydrophobicContact CD1-CB 3.94Å; L392-Q406 HydrophobicContact CD1-CG 4.45Å; Y393-Q406 CarbonylContact O-C 3.58Å; Y393-Q406 WeakPolarHBondContact O-CA 3.16Å; Y393-Q406 WeakPolarHBondContact O-CB 3.44Å; C394-Q406 HydrophobicContact CB-CG 4.33Å; Q406-M439 HydrophobicContact CB-CE 4.39Å; Q406-M439 HydrophobicContact CG-CE 3.88Å; Q406-M439 HydrophobicContact CG-SD 3.93Å; Q406-S440 PolarHBondContact N-O 2.74Å; Q406-V441 HydrophobicContact CB-CG1 4.33Å; Q406-V441 HydrophobicContact CB-CG2 4.32Å; Q406-V441 VanDerWaalsContact O-CA 3.28Å; Q406-V441 WeakPolarHBondContact O-CA 3.34Å; Q406-A442 PolarHBondContact O-N 3.4Å; Q406-L478 WeakPolarHBondContact O-CD2 3.43Å
407F98.8Very high92.2Very high0 Ų040.9 Ų40.90%024%0.237CC..EExtended strand (participates in β ladder)trans-136.7142.7170.164.6-94.7000112.7L366 F377 L392 Y393 V395 L409 A442 F471 V474 M475 L478L366-F407 HydrophobicContact CD2-CE2 4.29Å; L366-F407 HydrophobicContact CD2-CZ 3.81Å; F377-F407 HydrophobicContact CD1-CE1 4.25Å; F377-F407 HydrophobicContact CD2-CE1 4.4Å; F377-F407 HydrophobicContact CD2-CZ 4.34Å; F377-F407 HydrophobicContact CG-CE1 4.18Å; F377-F407 HydrophobicContact CG-CZ 4.39Å; L392-F407 WeakPolarHBondContact CA-O 3.38Å; L392-F407 WeakPolarHBondContact CD1-O 3.3Å; Y393-F407 HydrophobicContact CD1-CZ 4.17Å; Y393-F407 HydrophobicContact CD2-CD2 4.11Å; Y393-F407 AromaticContact CD2-CE2 3.39Å; Y393-F407 HydrophobicContact CD2-CE2 3.39Å; Y393-F407 AromaticContact CD2-CZ 3.84Å; Y393-F407 HydrophobicContact CD2-CZ 3.84Å; Y393-F407 HydrophobicContact CE2-CE2 4.19Å; Y393-F407 HydrophobicContact CG-CD2 4.44Å; Y393-F407 HydrophobicContact CG-CE1 4.3Å; Y393-F407 AromaticContact CG-CE2 3.6Å; Y393-F407 HydrophobicContact CG-CE2 3.6Å; Y393-F407 AromaticContact CG-CZ 3.52Å; Y393-F407 HydrophobicContact CG-CZ 3.52Å; Y393-F407 PolarHBondContact N-O 2.77Å; Y393-F407 PolarHBondContact O-N 3.48Å; V395-F407 HydrophobicContact CG2-CD1 3.58Å; V395-F407 HydrophobicContact CG2-CE1 3.56Å; F407-L409 HydrophobicContact CD2-CD2 3.88Å; F407-L409 HydrophobicContact CD2-CG 3.97Å; F407-L409 HydrophobicContact CE2-CD1 4.09Å; F407-L409 HydrophobicContact CE2-CD2 3.95Å; F407-L409 HydrophobicContact CE2-CG 3.85Å; F407-A442 CarbonylContact C-O 3.22Å; F407-A442 VanDerWaalsContact CA-O 3.24Å; F407-A442 WeakPolarHBondContact CA-O 3.48Å; F407-F471 HydrophobicContact CD2-CE2 4.03Å; F407-F471 HydrophobicContact CE1-CE2 4.14Å; F407-F471 AromaticContact CE1-CZ 3.91Å; F407-F471 HydrophobicContact CE1-CZ 3.91Å; F407-F471 AromaticContact CE2-CE2 3.64Å; F407-F471 HydrophobicContact CE2-CE2 3.64Å; F407-F471 HydrophobicContact CE2-CZ 4.16Å; F407-F471 HydrophobicContact CG-CE2 4.45Å; F407-F471 AromaticContact CZ-CE2 3.7Å; F407-F471 HydrophobicContact CZ-CE2 3.7Å; F407-F471 AromaticContact CZ-CZ 3.71Å; F407-F471 HydrophobicContact CZ-CZ 3.71Å; F407-V474 HydrophobicContact CB-CG1 3.48Å; F407-V474 VanDerWaalsContact CB-CG1 3.48Å; F407-V474 HydrophobicContact CD1-CG1 4.15Å; F407-V474 HydrophobicContact CG-CG1 3.83Å; F407-M475 HydrophobicContact CD1-CE 4.29Å; F407-M475 HydrophobicContact CE1-CE 4.4Å; F407-L478 HydrophobicContact CB-CD1 4.23Å; F407-L478 HydrophobicContact CD1-CD1 3.84Å
408Y98.9Very high91.6Very high6 Ų644 Ų442%0.02425%0.248CC..EExtended strand (participates in β ladder)trans-93.5144.5169.3-64.1-92.1000110.6W23 A385 W386 V390 T391 L392 L426 V441 A442 M444W23-Y408 HydrophobicContact CZ2-CE2 4.23Å; W23-Y408 AromaticContact NE1-CE1 3.97Å; W23-Y408 AromaticContact NE1-CZ 3.46Å; W23-Y408 PolarHBondContact NE1-OH 3.47Å; W23-Y408 VanDerWaalsContact NE1-OH 3.09Å; A385-Y408 HydrophobicContact CB-CE1 4.47Å; W386-Y408 VanDerWaalsContact CH2-CB 3.49Å; W386-Y408 AromaticContact CH2-CD1 3.89Å; W386-Y408 HydrophobicContact CH2-CD1 3.89Å; W386-Y408 AromaticContact CH2-CD2 3.98Å; W386-Y408 HydrophobicContact CH2-CD2 3.98Å; W386-Y408 AromaticContact CH2-CG 3.52Å; W386-Y408 HydrophobicContact CH2-CG 3.52Å; W386-Y408 AromaticContact CZ3-CD1 3.82Å; W386-Y408 HydrophobicContact CZ3-CD1 3.82Å; W386-Y408 AromaticContact CZ3-CD2 3.99Å; W386-Y408 HydrophobicContact CZ3-CD2 3.99Å; W386-Y408 HydrophobicContact CZ3-CE1 4.11Å; W386-Y408 HydrophobicContact CZ3-CE2 4.28Å; W386-Y408 AromaticContact CZ3-CG 3.76Å; W386-Y408 HydrophobicContact CZ3-CG 3.76Å; V390-Y408 HydrophobicContact CG1-CD1 3.76Å; V390-Y408 HydrophobicContact CG1-CG 4.39Å; T391-Y408 CarbonylContact O-C 3.54Å; T391-Y408 VanDerWaalsContact O-CA 3.24Å; T391-Y408 WeakPolarHBondContact O-CA 3.19Å; L392-Y408 HydrophobicContact CB-CD1 4.01Å; L392-Y408 HydrophobicContact CB-CE1 3.99Å; L392-Y408 HydrophobicContact CD1-CD1 3.87Å; L392-Y408 HydrophobicContact CD1-CD2 3.96Å; L392-Y408 HydrophobicContact CD1-CE1 3.75Å; L392-Y408 HydrophobicContact CD1-CE2 3.82Å; L392-Y408 HydrophobicContact CD1-CG 3.98Å; L392-Y408 HydrophobicContact CD2-CE1 4.03Å; L392-Y408 HydrophobicContact CG-CD1 4.42Å; L392-Y408 HydrophobicContact CG-CE1 4.13Å; Y408-L426 HydrophobicContact CD2-CD1 4.05Å; Y408-L426 HydrophobicContact CE2-CD1 4.26Å; Y408-V441 HydrophobicContact CD2-CG1 4.2Å; Y408-V441 HydrophobicContact CE2-CG1 3.82Å; Y408-A442 PolarHBondContact N-O 3.48Å; Y408-M444 PolarHBondContact O-N 3.14Å
409L98.7Very high90.7Very high2 Ų240.2 Ų40.21%0.0125%0.252CS..EExtended strand (participates in β ladder)trans-114.6118.2167.3-60.3179.1000109.6T362 V390 T391 Y393 F407 L411 M444 Y467 F471T362-L409 HydrophobicContact CG2-CD1 4.25Å; V390-L409 WeakPolarHBondContact CA-O 3.48Å; T391-L409 PolarHBondContact N-O 3.27Å; T391-L409 PolarHBondContact O-N 2.87Å; Y393-L409 HydrophobicContact CD2-CD1 4.28Å; Y393-L409 HydrophobicContact CD2-CG 4.45Å; Y393-L409 HydrophobicContact CE2-CD1 3.72Å; Y393-L409 HydrophobicContact CE2-CG 4.27Å; F407-L409 HydrophobicContact CD2-CD2 3.88Å; F407-L409 HydrophobicContact CD2-CG 3.97Å; F407-L409 HydrophobicContact CE2-CD1 4.09Å; F407-L409 HydrophobicContact CE2-CD2 3.95Å; F407-L409 HydrophobicContact CE2-CG 3.85Å; L409-L411 HydrophobicContact CB-CD1 4.38Å; L409-L411 HydrophobicContact CB-CD2 4.06Å; L409-L411 HydrophobicContact CB-CG 4.09Å; L409-L411 HydrophobicContact CD2-CD2 4.48Å; L409-M444 HydrophobicContact CD2-CB 3.84Å; L409-M444 HydrophobicContact CD2-CE 4.09Å; L409-M444 HydrophobicContact CD2-SD 4.11Å; L409-Y467 WeakPolarHBondContact CD1-OH 3.42Å; L409-Y467 HydrophobicContact CD2-CE2 4.43Å; L409-F471 HydrophobicContact CD2-CD2 4.5Å; L409-F471 HydrophobicContact CD2-CE2 4.47Å
410D98.1Very high90.3Very high0 Ų039.4 Ų39.40%023%0.23CC..EExtended strand (participates in β ladder)trans-122.287.6175.8-173.3-6.5000109.5W386 V390 R414 K417 M444 V445 A446W386-D410 HydrophobicContact CZ2-CB 4.05Å; W386-D410 PolarHBondContact NE1-OD2 3.13Å; V390-D410 HydrophobicContact CG2-CB 3.92Å; D410-R414 IonicContact OD1-CZ 2.92Å; D410-R414 IonicContact OD1-NH1 3.04Å; D410-R414 PolarHBondContact OD1-NH1 2.78Å; D410-R414 IonicContact OD1-NH2 3.78Å; D410-R414 IonicContact OD2-CZ 3.81Å; D410-R414 IonicContact OD2-NH1 2.76Å; D410-R414 PolarHBondContact OD2-NH1 3.48Å; D410-R414 IonicContact OD2-NH2 3.69Å; D410-R414 PolarHBondContact OD2-NH2 2.78Å; D410-K417 VanDerWaalsContact C-NZ 3.33Å; D410-K417 VanDerWaalsContact CG-NZ 3.29Å; D410-K417 PolarHBondContact O-NZ 2.91Å; D410-K417 WeakPolarHBondContact OD1-CE 3.3Å; D410-K417 IonicContact OD1-NZ 3.79Å; D410-K417 PolarHBondContact OD1-NZ 3.24Å; D410-K417 IonicContact OD2-NZ 2.88Å; D410-M444 PolarHBondContact N-O 3.34Å; D410-V445 HydrophobicContact CB-CG2 4.49Å; D410-V445 WeakPolarHBondContact O-CA 3.31Å; D410-A446 PolarHBondContact O-N 3.46Å
411L96.6Very high90.4Very high14 Ų1437.7 Ų37.77%0.07322%0.216CC..  trans-97.5-17.3-158.8-57.1-176.6000115.3M358 L409 M444 A446 F448 Y467M358-L411 HydrophobicContact CE-CB 4.32Å; M358-L411 HydrophobicContact CE-CD1 4.37Å; M358-L411 HydrophobicContact SD-CD1 3.67Å; L409-L411 HydrophobicContact CB-CD1 4.38Å; L409-L411 HydrophobicContact CB-CD2 4.06Å; L409-L411 HydrophobicContact CB-CG 4.09Å; L409-L411 HydrophobicContact CD2-CD2 4.48Å; L411-M444 HydrophobicContact CD2-CE 3.25Å; L411-A446 CarbonylContact C-O 3.56Å; L411-A446 VanDerWaalsContact C-O 3.25Å; L411-A446 HydrophobicContact CD2-CB 4.43Å; L411-A446 CarbonylContact O-C 3.45Å; L411-A446 VanDerWaalsContact O-O 3.12Å; L411-F448 HydrophobicContact CB-CD2 4.19Å; L411-F448 HydrophobicContact CD2-CD2 4.42Å; L411-F448 HydrophobicContact CD2-CE2 4.28Å; L411-F448 PolarHBondContact O-N 3.39Å; L411-Y467 HydrophobicContact CD1-CE1 4.21Å; L411-Y467 WeakPolarHBondContact CD1-OH 3.47Å; L411-Y467 HydrophobicContact CD2-CE2 4.38Å
412Y92Very high90.6Very high50 Ų5036.4 Ų36.420%0.19620%0.201CC..SBendtrans-110.1145.7-169.8-55.6-59.7000113.2M358 D389 K417 K450M358-Y412 HydrophobicContact CE-CE1 3.99Å; M358-Y412 HydrophobicContact CG-CE1 4.48Å; D389-Y412 HydrophobicContact CB-CD2 4.15Å; Y412-K417 WeakPolarHBondContact O-CD 3.13Å; Y412-K417 PolarHBondContact O-NZ 3.09Å; Y412-K450 HydrophobicContact CD1-CG 4.19Å; Y412-K450 HydrophobicContact CG-CG 4.33Å
413P85.8Confident91Very high47 Ų4734.6 Ų34.631%0.30520%0.196SC..  trans-68.4147.2177.927.7-35.2000112.3N447 F448 K450P413-N447 VanDerWaalsContact CA-OD1 3.27Å; P413-N447 WeakPolarHBondContact CA-OD1 3.37Å; P413-N447 HydrophobicContact CB-CB 4.16Å; P413-F448 WeakPolarHBondContact CD-O 3.43Å; P413-K450 HydrophobicContact CG-CG 4.28Å; P413-K450 WeakPolarHBondContact O-CE 3.47Å; P413-K450 PolarHBondContact O-NZ 3.45Å
414R87.9Confident91.2Very high38 Ų3835.8 Ų35.814%0.14320%0.2CC..  trans-156.8163.3168.761.6-178.1174.9-82.3-7.6110.3V85 D410 G416 K417V85-R414 PolarHBondContact O-NE 2.78Å; V85-R414 PolarHBondContact O-NH2 2.77Å; D410-R414 IonicContact OD1-CZ 2.92Å; D410-R414 IonicContact OD1-NH1 3.04Å; D410-R414 PolarHBondContact OD1-NH1 2.78Å; D410-R414 IonicContact OD1-NH2 3.78Å; D410-R414 IonicContact OD2-CZ 3.81Å; D410-R414 IonicContact OD2-NH1 2.76Å; D410-R414 PolarHBondContact OD2-NH1 3.48Å; D410-R414 IonicContact OD2-NH2 3.69Å; D410-R414 PolarHBondContact OD2-NH2 2.78Å; R414-G416 PolarHBondContact O-N 3.23Å; R414-K417 HydrophobicContact CG-CB 3.71Å; R414-K417 HydrophobicContact CG-CD 4.14Å; R414-K417 HydrophobicContact CG-CG 4.49Å; R414-K417 WeakPolarHBondContact O-CB 3.43Å; R414-K417 PolarHBondContact O-N 2.89Å; R414-K417 VanDerWaalsContact O-N 3.14Å
415E81.4Confident91.4Very high169 Ų16936.7 Ų36.779%0.7921%0.211SC*.THydrogen-bonded Turntrans-55.3131.4178.6-168.9-170.7157.100111.2K417E415-K417 PolarHBondContact O-N 2.75Å
416G79.8Confident91.4Very high32 Ų3236.8 Ų36.833%0.3321%0.212SC..THydrogen-bonded Turntrans75.4-1177.900000115.7R92 R414R92-G416 VanDerWaalsContact CD-O 3.22Å; R92-G416 WeakPolarHBondContact CD-O 3.43Å; R414-G416 PolarHBondContact O-N 3.23Å
417K88.3Confident91.4Very high18 Ų1835.8 Ų35.88%0.07821%0.207CC..SBendtrans-78.6147.1172.2-176.2-173.6174.8176.20110.8H84 D410 Y412 R414 E415 G419 A446H84-K417 CarbonylContact O-C 3.53Å; H84-K417 VanDerWaalsContact O-CA 3.32Å; H84-K417 WeakPolarHBondContact O-CA 3.47Å; D410-K417 VanDerWaalsContact C-NZ 3.33Å; D410-K417 VanDerWaalsContact CG-NZ 3.29Å; D410-K417 PolarHBondContact O-NZ 2.91Å; D410-K417 WeakPolarHBondContact OD1-CE 3.3Å; D410-K417 IonicContact OD1-NZ 3.79Å; D410-K417 PolarHBondContact OD1-NZ 3.24Å; D410-K417 IonicContact OD2-NZ 2.88Å; Y412-K417 WeakPolarHBondContact O-CD 3.13Å; Y412-K417 PolarHBondContact O-NZ 3.09Å; R414-K417 HydrophobicContact CG-CB 3.71Å; R414-K417 HydrophobicContact CG-CD 4.14Å; R414-K417 HydrophobicContact CG-CG 4.49Å; R414-K417 WeakPolarHBondContact O-CB 3.43Å; R414-K417 PolarHBondContact O-N 2.89Å; R414-K417 VanDerWaalsContact O-N 3.14Å; E415-K417 PolarHBondContact O-N 2.75Å; K417-G419 PolarHBondContact O-N 3.35Å; K417-A446 WeakPolarHBondContact CE-O 2.83Å; K417-A446 PolarHBondContact NZ-O 3.29Å
418Y82.7Confident91.4Very high86 Ų8636 Ų3634%0.33721%0.209SC..  trans-51.6125171.6-173.9-106.2000111.3H84 H420 A422 F424 N447H84-Y418 PolarHBondContact O-N 2.9Å; Y418-H420 HydrophobicContact CD1-CB 4.33Å; Y418-H420 VanDerWaalsContact CD1-O 3.31Å; Y418-H420 WeakPolarHBondContact CD1-O 3.48Å; Y418-H420 HydrophobicContact CE1-CB 3.61Å; Y418-A422 HydrophobicContact CD1-CB 4.4Å; Y418-A422 HydrophobicContact CE1-CB 3.85Å; Y418-F424 HydrophobicContact CD1-CE2 4.4Å; Y418-F424 HydrophobicContact CD1-CZ 4.2Å; Y418-F424 HydrophobicContact CE1-CZ 4.46Å; Y418-F424 HydrophobicContact CG-CZ 4.33Å; Y418-N447 PolarHBondContact O-ND2 2.9Å
419G76.6Confident91.3Very high56 Ų5636 Ų3658%0.57721%0.21SC*.SBendtrans-85.5-3.8-166.600000116.3K417 N447K417-G419 PolarHBondContact O-N 3.35Å; G419-N447 WeakPolarHBondContact CA-ND2 3.44Å; G419-N447 PolarHBondContact O-ND2 3.24Å
420H82.4Confident91.2Very high83 Ų8335.9 Ų35.938%0.38421%0.209SC..SBendtrans-110.6169.2176.4-5890.8000110.9Y217 Y418 N447Y217-H420 AromaticContact CD2-NE2 3.97Å; Y217-H420 AromaticContact CE2-CD2 3.87Å; Y217-H420 AromaticContact CE2-NE2 3.44Å; Y217-H420 WeakPolarHBondContact CE2-NE2 3.03Å; Y217-H420 AromaticContact CZ-NE2 3.86Å; Y418-H420 HydrophobicContact CD1-CB 4.33Å; Y418-H420 VanDerWaalsContact CD1-O 3.31Å; Y418-H420 WeakPolarHBondContact CD1-O 3.48Å; Y418-H420 HydrophobicContact CE1-CB 3.61Å; H420-N447 PolarHBondContact O-ND2 3.1Å
421A88.6Confident91.2Very high30 Ų3038.1 Ų38.125%0.24822%0.221CC..  trans-78.7140.2166.200000109.4V445 T466 E470A421-V445 CarbonylContact C-O 3.57Å; A421-V445 VanDerWaalsContact CA-O 3.23Å; A421-V445 WeakPolarHBondContact CA-O 3.41Å; A421-T466 HydrophobicContact CB-CG2 3.33Å; A421-E470 HydrophobicContact CB-CG 3.8Å
422A91.8Very high91.2Very high18 Ų1840.3 Ų40.315%0.14923%0.228CC..EExtended strand (participates in β ladder)trans-165.2152177.800000111.9Y418 F424 V445 E470Y418-A422 HydrophobicContact CD1-CB 4.4Å; Y418-A422 HydrophobicContact CE1-CB 3.85Å; A422-F424 HydrophobicContact CB-CD2 4.27Å; A422-F424 HydrophobicContact CB-CE2 3.69Å; A422-F424 HydrophobicContact CB-CZ 4.21Å; A422-V445 PolarHBondContact N-O 3.35Å; A422-V445 PolarHBondContact O-N 3.09Å; A422-E470 VanDerWaalsContact CA-CD 3.47Å; A422-E470 WeakPolarHBondContact CA-OE2 3.47Å
423C98Very high91.3Very high29 Ų2941.4 Ų41.420%0.19624%0.242CC..EExtended strand (participates in β ladder)trans-101125.4163.91760000110.9A443 E470 H473 V474C423-A443 WeakPolarHBondContact CA-O 3.46Å; C423-E470 PolarHBondContact N-OE2 3.27Å; C423-H473 HydrophobicContact CB-CB 3.45Å; C423-H473 VanDerWaalsContact CB-CB 3.45Å; C423-V474 HydrophobicContact CB-CG2 4.34Å
424F98.1Very high91.7Very high40 Ų4044.7 Ų44.718%0.17526%0.257CS..EExtended strand (participates in β ladder)trans-105.2121.3175.4-65.2-99.6000110F81 H84 Y418 A422 L426 A442 A443 V445F81-F424 HydrophobicContact CD2-CB 4.13Å; F81-F424 AromaticContact CD2-CD1 3.85Å; F81-F424 HydrophobicContact CD2-CD1 3.85Å; F81-F424 HydrophobicContact CD2-CE1 4.41Å; F81-F424 AromaticContact CD2-CG 3.97Å; F81-F424 HydrophobicContact CD2-CG 3.97Å; F81-F424 HydrophobicContact CE2-CB 3.71Å; F81-F424 AromaticContact CE2-CD1 3.78Å; F81-F424 HydrophobicContact CE2-CD1 3.78Å; F81-F424 AromaticContact CE2-CD2 3.76Å; F81-F424 HydrophobicContact CE2-CD2 3.76Å; F81-F424 HydrophobicContact CE2-CE1 4.32Å; F81-F424 HydrophobicContact CE2-CE2 4.29Å; F81-F424 AromaticContact CE2-CG 3.47Å; F81-F424 HydrophobicContact CE2-CG 3.47Å; F81-F424 VanDerWaalsContact CE2-CG 3.47Å; H84-F424 HydrophobicContact CB-CE1 4.47Å; H84-F424 HydrophobicContact CB-CZ 4.3Å; H84-F424 AromaticContact CG-CE1 3.93Å; H84-F424 AromaticContact ND1-CE1 3.97Å; Y418-F424 HydrophobicContact CD1-CE2 4.4Å; Y418-F424 HydrophobicContact CD1-CZ 4.2Å; Y418-F424 HydrophobicContact CE1-CZ 4.46Å; Y418-F424 HydrophobicContact CG-CZ 4.33Å; A422-F424 HydrophobicContact CB-CD2 4.27Å; A422-F424 HydrophobicContact CB-CE2 3.69Å; A422-F424 HydrophobicContact CB-CZ 4.21Å; F424-L426 HydrophobicContact CB-CD2 4.17Å; F424-L426 PolarHBondContact O-N 2.95Å; F424-A442 CarbonylContact O-C 3.55Å; F424-A442 VanDerWaalsContact O-CA 3.26Å; F424-A442 WeakPolarHBondContact O-CA 3.26Å; F424-A443 PolarHBondContact N-O 3.25Å; F424-A443 PolarHBondContact O-N 3.25Å; F424-V445 HydrophobicContact CD2-CB 4.25Å; F424-V445 HydrophobicContact CD2-CG2 3.69Å; F424-V445 HydrophobicContact CE2-CB 3.91Å; F424-V445 HydrophobicContact CE2-CG2 3.67Å
425G98.1Very high91.9Very high31 Ų3144.9 Ų44.932%0.3227%0.27SS..EExtended strand (participates in β ladder)trans-77.1116.7169.200000110.2N77N77-G425 PolarHBondContact ND2-O 3.26Å; N77-G425 VanDerWaalsContact ND2-O 3.15Å
426L98.4Very high92.6Very high3 Ų337.7 Ų37.72%0.01624%0.238CC..EExtended strand (participates in β ladder)trans-103.1-42.7-172.8-58.3177.8000112.6L21 W23 N77 F81 Y408 F424 V441 A443L21-L426 HydrophobicContact CD1-CB 3.58Å; L21-L426 HydrophobicContact CD1-CD1 4.09Å; L21-L426 HydrophobicContact CD1-CG 4.5Å; L21-L426 HydrophobicContact CD2-CB 4.49Å; W23-L426 HydrophobicContact CH2-CD1 3.77Å; W23-L426 HydrophobicContact CH2-CD2 4.16Å; W23-L426 HydrophobicContact CH2-CG 4.43Å; W23-L426 HydrophobicContact CZ2-CD1 3.72Å; N77-L426 WeakPolarHBondContact CB-O 3.17Å; N77-L426 PolarHBondContact ND2-O 2.97Å; F81-L426 HydrophobicContact CB-CD2 4.19Å; F81-L426 HydrophobicContact CD1-CD2 3.94Å; F81-L426 HydrophobicContact CD2-CD2 3.82Å; F81-L426 HydrophobicContact CE1-CD1 4.49Å; F81-L426 HydrophobicContact CE1-CD2 4.22Å; F81-L426 HydrophobicContact CE2-CD2 4.15Å; F81-L426 HydrophobicContact CG-CD2 3.71Å; F81-L426 HydrophobicContact CZ-CD2 4.33Å; Y408-L426 HydrophobicContact CD2-CD1 4.05Å; Y408-L426 HydrophobicContact CE2-CD1 4.26Å; F424-L426 HydrophobicContact CB-CD2 4.17Å; F424-L426 PolarHBondContact O-N 2.95Å; L426-V441 WeakPolarHBondContact CA-O 3.46Å; L426-V441 HydrophobicContact CB-CB 4.45Å; L426-V441 HydrophobicContact CB-CG1 4.39Å; L426-V441 HydrophobicContact CD1-CG1 4.39Å; L426-V441 PolarHBondContact N-O 2.75Å; L426-A443 HydrophobicContact CD1-CB 3.7Å; L426-A443 HydrophobicContact CG-CB 4.29Å
427Q98.6Very high93.3Very high0 Ų037.9 Ų37.90%023%0.229CC..EExtended strand (participates in β ladder)trans-128.1121.6174.8-172.6170.1-75.800108.1E18 R20 V74 Q438 M439 S440 V441E18-Q427 PolarHBondContact O-NE2 3.27Å; E18-Q427 VanDerWaalsContact O-NE2 3.09Å; R20-Q427 VanDerWaalsContact N-OE1 3.1Å; V74-Q427 HydrophobicContact CG2-CG 4.01Å; Q427-Q438 HydrophobicContact CG-CG 3.82Å; Q427-M439 WeakPolarHBondContact CG-O 3.45Å; Q427-M439 PolarHBondContact NE2-O 3.3Å; Q427-S440 CarbonylContact O-C 3.59Å; Q427-S440 WeakPolarHBondContact O-CA 3.39Å; Q427-S440 PolarHBondContact O-OG 3.04Å; Q427-V441 HydrophobicContact CB-CB 3.68Å; Q427-V441 HydrophobicContact CB-CG2 3.71Å; Q427-V441 HydrophobicContact CG-CG2 4.44Å; Q427-V441 PolarHBondContact N-O 3.3Å; Q427-V441 PolarHBondContact O-N 3.15Å
428P98Very high93.7Very high5 Ų537.2 Ų37.23%0.03223%0.226CC..  trans-72.3139.3-179.427.3-32.9000111.5T73 V74 C430 Q438 A485 S488T73-P428 HydrophobicContact CG2-CG 4.04Å; V74-P428 HydrophobicContact CG2-CG 4.49Å; P428-C430 PolarHBondContact O-N 3.06Å; P428-Q438 PolarHBondContact O-NE2 2.82Å; P428-A485 HydrophobicContact CB-CB 4.48Å; P428-A485 HydrophobicContact CG-CB 4.36Å; P428-S488 WeakPolarHBondContact CB-OG 3.48Å
429G97.6Very high94.3Very high4 Ų433.3 Ų33.34%0.04121%0.211CC..  trans-82.393.1170.400000111.2Q438G429-Q438 WeakPolarHBondContact CA-O 3.24Å
430C97.7Very high95.3Very high0 Ų030.7 Ų30.70%018%0.184CC..  trans-145.7178.5-174.856.50000112P428 R437 Q438 A482 D483P428-C430 PolarHBondContact O-N 3.06Å; C430-R437 CarbonylContact O-C 3.52Å; C430-R437 WeakPolarHBondContact O-CA 3.28Å; C430-Q438 PolarHBondContact O-N 2.8Å; C430-A482 WeakPolarHBondContact CA-O 3.41Å; C430-D483 WeakPolarHBondContact CB-O 3.45Å
431L97.4Very high96.1Very high48 Ų4826.8 Ų26.825%0.25117%0.166SC..BIsolated β-bridgetrans-80.1139.6173.4-63.7-177.3000111.4A13 R437 D483A13-L431 HydrophobicContact CB-CD2 3.95Å; L431-R437 HydrophobicContact CD2-CB 4.29Å; L431-D483 HydrophobicContact CD1-CB 3.85Å; L431-D483 HydrophobicContact CG-CB 4.06Å; L431-D483 PolarHBondContact N-O 3.11Å
432R96Very high96.6Very high60 Ų6025.3 Ų25.323%0.22615%0.154CC..  trans-85166.5171.3-68.3-177.964.11642.4110.3C16 E18 D434 G435 S436 Q438C16-R432 PolarHBondContact SG-NH1 2.82Å; E18-R432 IonicContact OE2-NH1 2.79Å; R432-D434 VanDerWaalsContact CB-OD1 3.29Å; R432-D434 WeakPolarHBondContact CB-OD1 3.48Å; R432-D434 PolarHBondContact O-N 3.49Å; R432-G435 PolarHBondContact O-N 2.82Å; R432-S436 WeakPolarHBondContact CB-O 3.11Å; R432-S436 WeakPolarHBondContact CD-OG 3.24Å; R432-S436 PolarHBondContact N-O 3.04Å; R432-Q438 HydrophobicContact CG-CB 3.96Å
433P93.9Very high96.9Very high73 Ų7324.5 Ų24.547%0.47415%0.147SC..THydrogen-bonded Turntrans-56.1-28.4179.3-28.735.8000115K63 D67 G435K63-P433 PolarHBondContact NZ-O 2.68Å; K63-P433 VanDerWaalsContact NZ-O 3.17Å; D67-P433 HydrophobicContact CB-CG 3.96Å; P433-G435 VanDerWaalsContact C-N 3.3Å
434D93.6Very high97Very high116 Ų11623.1 Ų23.162%0.6214%0.138SC*.THydrogen-bonded Turntrans-84.11.5177.868.1-6.7000114R432 S436R432-D434 VanDerWaalsContact CB-OD1 3.29Å; R432-D434 WeakPolarHBondContact CB-OD1 3.48Å; R432-D434 PolarHBondContact O-N 3.49Å; D434-S436 VanDerWaalsContact C-N 3.3Å; D434-S436 PolarHBondContact O-N 3.28Å; D434-S436 WeakPolarHBondContact OD1-CB 3.32Å; D434-S436 PolarHBondContact OD1-N 3.43Å; D434-S436 PolarHBondContact OD1-OG 3.43Å; D434-S436 PolarHBondContact OD2-OG 3.13Å
435G93.4Very high96.9Very high41 Ų4121.2 Ų21.242%0.42313%0.129SC..SBendtrans81.5-0.6-178.200000114.8A13 R432 P433A13-G435 WeakPolarHBondContact CB-O 3.47Å; R432-G435 PolarHBondContact O-N 2.82Å; P433-G435 VanDerWaalsContact C-N 3.3Å
436S95Very high96.7Very high18 Ų1819.7 Ų19.713%0.12611%0.114CC..PPolyproline II helixtrans-74.4151.6171.469.30000111.1A14 R432 D434A14-S436 WeakPolarHBondContact O-CA 3.4Å; A14-S436 WeakPolarHBondContact O-CB 3.36Å; R432-S436 WeakPolarHBondContact CB-O 3.11Å; R432-S436 WeakPolarHBondContact CD-OG 3.24Å; R432-S436 PolarHBondContact N-O 3.04Å; D434-S436 VanDerWaalsContact C-N 3.3Å; D434-S436 PolarHBondContact O-N 3.28Å; D434-S436 WeakPolarHBondContact OD1-CB 3.32Å; D434-S436 PolarHBondContact OD1-N 3.43Å; D434-S436 PolarHBondContact OD1-OG 3.43Å; D434-S436 PolarHBondContact OD2-OG 3.13Å
437R95.4Very high96.3Very high37 Ų3721.8 Ų21.814%0.1413%0.125CC..EExtended strand (participates in β ladder)trans-86.8123177.6-177.4165-67.3-76.8-2.4110.5A13 A14 C16 C430 L431 Q481 A482 D483A13-R437 HydrophobicContact CB-CB 4.34Å; A14-R437 PolarHBondContact O-N 2.82Å; C16-R437 PolarHBondContact N-O 3.21Å; C430-R437 CarbonylContact O-C 3.52Å; C430-R437 WeakPolarHBondContact O-CA 3.28Å; L431-R437 HydrophobicContact CD2-CB 4.29Å; R437-Q481 PolarHBondContact NH1-O 3Å; R437-Q481 PolarHBondContact NH2-O 3.17Å; R437-Q481 VanDerWaalsContact NH2-O 3.11Å; R437-A482 PolarHBondContact NH1-O 3.07Å; R437-D483 IonicContact CZ-OD1 3.54Å; R437-D483 IonicContact NH2-OD1 2.77Å; R437-D483 PolarHBondContact NH2-OD1 3.38Å
438Q96.1Very high95.8Very high4 Ų422.1 Ų22.12%0.01913%0.127CC..EExtended strand (participates in β ladder)trans-68.1132.9169.7-175.7171-93.100110Q427 P428 G429 C430 R432Q427-Q438 HydrophobicContact CG-CG 3.82Å; P428-Q438 PolarHBondContact O-NE2 2.82Å; G429-Q438 WeakPolarHBondContact CA-O 3.24Å; C430-Q438 PolarHBondContact O-N 2.8Å; R432-Q438 HydrophobicContact CG-CB 3.96Å
439M95.9Very high94.9Very high3 Ų324.7 Ų24.72%0.01515%0.145CC..PPolyproline II helixtrans-64136173.4-179.8178.766.200111.3C16 A17 N19 V403 Q406 Q427 V441C16-M439 WeakPolarHBondContact O-CB 3.34Å; C16-M439 PolarHBondContact O-N 3.41Å; A17-M439 WeakPolarHBondContact O-CE 3.45Å; N19-M439 HydrophobicContact CB-CE 3.87Å; V403-M439 HydrophobicContact CG1-CG 4.08Å; V403-M439 HydrophobicContact CG1-SD 3.43Å; V403-M439 WeakPolarHBondContact CG1-SD 3.27Å; Q406-M439 HydrophobicContact CB-CE 4.39Å; Q406-M439 HydrophobicContact CG-CE 3.88Å; Q406-M439 HydrophobicContact CG-SD 3.93Å; Q427-M439 WeakPolarHBondContact CG-O 3.45Å; Q427-M439 PolarHBondContact NE2-O 3.3Å; M439-V441 HydrophobicContact CE-CG2 4.03Å
440S98.1Very high94Very high2 Ų229.1 Ų29.11%0.01416%0.163CC..EExtended strand (participates in β ladder)trans-76.1142.2173.1-168.70000111.1G405 Q406 Q427 Q477 L478G405-S440 CarbonylContact C-O 3.28Å; G405-S440 WeakPolarHBondContact CA-O 3.45Å; Q406-S440 PolarHBondContact N-O 2.74Å; Q427-S440 CarbonylContact O-C 3.59Å; Q427-S440 WeakPolarHBondContact O-CA 3.39Å; Q427-S440 PolarHBondContact O-OG 3.04Å; S440-Q477 PolarHBondContact OG-NE2 2.64Å; S440-Q477 PolarHBondContact OG-O 3.34Å; S440-L478 WeakPolarHBondContact O-CD2 3.42Å
441V98.8Very high93.3Very high0 Ų032.6 Ų32.60%019%0.185CC..EExtended strand (participates in β ladder)trans-133.3131174.4-172.80000110.3L21 Q406 Y408 L426 Q427 M439L21-V441 HydrophobicContact CD1-CB 4.04Å; L21-V441 HydrophobicContact CD1-CG1 3.74Å; L21-V441 HydrophobicContact CD1-CG2 4.48Å; Q406-V441 HydrophobicContact CB-CG1 4.33Å; Q406-V441 HydrophobicContact CB-CG2 4.32Å; Q406-V441 VanDerWaalsContact O-CA 3.28Å; Q406-V441 WeakPolarHBondContact O-CA 3.34Å; Y408-V441 HydrophobicContact CD2-CG1 4.2Å; Y408-V441 HydrophobicContact CE2-CG1 3.82Å; L426-V441 WeakPolarHBondContact CA-O 3.46Å; L426-V441 HydrophobicContact CB-CB 4.45Å; L426-V441 HydrophobicContact CB-CG1 4.39Å; L426-V441 HydrophobicContact CD1-CG1 4.39Å; L426-V441 PolarHBondContact N-O 2.75Å; Q427-V441 HydrophobicContact CB-CB 3.68Å; Q427-V441 HydrophobicContact CB-CG2 3.71Å; Q427-V441 HydrophobicContact CG-CG2 4.44Å; Q427-V441 PolarHBondContact N-O 3.3Å; Q427-V441 PolarHBondContact O-N 3.15Å; M439-V441 HydrophobicContact CE-CG2 4.03Å
442A98.8Very high92.3Very high0 Ų034.7 Ų34.70%020%0.2CC..EExtended strand (participates in β ladder)trans-124.3161.3176.300000112.3Q406 F407 Y408 F424 V474 Q477 L478Q406-A442 PolarHBondContact O-N 3.4Å; F407-A442 CarbonylContact C-O 3.22Å; F407-A442 VanDerWaalsContact CA-O 3.24Å; F407-A442 WeakPolarHBondContact CA-O 3.48Å; Y408-A442 PolarHBondContact N-O 3.48Å; F424-A442 CarbonylContact O-C 3.55Å; F424-A442 VanDerWaalsContact O-CA 3.26Å; F424-A442 WeakPolarHBondContact O-CA 3.26Å; A442-V474 HydrophobicContact CB-CG1 4.11Å; A442-Q477 HydrophobicContact CB-CB 4.26Å; A442-Q477 HydrophobicContact CB-CG 3.92Å; A442-L478 HydrophobicContact CB-CD2 4.34Å
443A98.8Very high91.4Very high0 Ų037.7 Ų37.70%024%0.238CC..EExtended strand (participates in β ladder)trans-128.1123.7165.100000110.4F81 W386 C423 F424 L426F81-A443 HydrophobicContact CE1-CB 4.4Å; F81-A443 HydrophobicContact CE2-CB 4.46Å; F81-A443 HydrophobicContact CZ-CB 3.79Å; W386-A443 HydrophobicContact CH2-CB 3.74Å; W386-A443 HydrophobicContact CZ2-CB 4.3Å; C423-A443 WeakPolarHBondContact CA-O 3.46Å; F424-A443 PolarHBondContact N-O 3.25Å; F424-A443 PolarHBondContact O-N 3.25Å; L426-A443 HydrophobicContact CD1-CB 3.7Å; L426-A443 HydrophobicContact CG-CB 4.29Å
444M98.6Very high90.6Very high0 Ų038.4 Ų38.40%025%0.25CC..EExtended strand (participates in β ladder)trans-90.5119.6169.7-153.2-161.278.700108.8Y408 L409 D410 L411 A446 Y467 E470 F471 V474Y408-M444 PolarHBondContact O-N 3.14Å; L409-M444 HydrophobicContact CD2-CB 3.84Å; L409-M444 HydrophobicContact CD2-CE 4.09Å; L409-M444 HydrophobicContact CD2-SD 4.11Å; D410-M444 PolarHBondContact N-O 3.34Å; L411-M444 HydrophobicContact CD2-CE 3.25Å; M444-A446 HydrophobicContact CE-CB 4.38Å; M444-Y467 HydrophobicContact CE-CD2 3.43Å; M444-Y467 VanDerWaalsContact CE-CD2 3.43Å; M444-Y467 HydrophobicContact CE-CE2 3.32Å; M444-Y467 HydrophobicContact CE-CG 4.36Å; M444-Y467 HydrophobicContact SD-CD2 3.59Å; M444-Y467 VanDerWaalsContact SD-CD2 3.59Å; M444-Y467 HydrophobicContact SD-CE2 3.62Å; M444-E470 HydrophobicContact CG-CB 3.6Å; M444-E470 HydrophobicContact SD-CB 3.78Å; M444-F471 HydrophobicContact SD-CB 4.22Å; M444-F471 HydrophobicContact SD-CD2 4.2Å; M444-V474 HydrophobicContact CB-CG2 3.82Å; M444-V474 HydrophobicContact CG-CG2 3.97Å
445V97.5Very high89.9Confident0 Ų034.1 Ų34.10%023%0.23CC..EExtended strand (participates in β ladder)trans-111.3127.9179.9178.80000108F81 V85 D410 A421 A422 F424F81-V445 HydrophobicContact CZ-CG2 4.36Å; V85-V445 HydrophobicContact CG1-CG2 4.17Å; D410-V445 HydrophobicContact CB-CG2 4.49Å; D410-V445 WeakPolarHBondContact O-CA 3.31Å; A421-V445 CarbonylContact C-O 3.57Å; A421-V445 VanDerWaalsContact CA-O 3.23Å; A421-V445 WeakPolarHBondContact CA-O 3.41Å; A422-V445 PolarHBondContact N-O 3.35Å; A422-V445 PolarHBondContact O-N 3.09Å; F424-V445 HydrophobicContact CD2-CB 4.25Å; F424-V445 HydrophobicContact CD2-CG2 3.69Å; F424-V445 HydrophobicContact CE2-CB 3.91Å; F424-V445 HydrophobicContact CE2-CG2 3.67Å
446A94.3Very high89.8Confident0 Ų034.9 Ų34.90%023%0.228CC..  trans-142.1171.1174.800000111.2D410 L411 K417 M444 F448D410-A446 PolarHBondContact O-N 3.46Å; L411-A446 CarbonylContact C-O 3.56Å; L411-A446 VanDerWaalsContact C-O 3.25Å; L411-A446 HydrophobicContact CD2-CB 4.43Å; L411-A446 CarbonylContact O-C 3.45Å; L411-A446 VanDerWaalsContact O-O 3.12Å; K417-A446 WeakPolarHBondContact CE-O 2.83Å; K417-A446 PolarHBondContact NZ-O 3.29Å; M444-A446 HydrophobicContact CE-CB 4.38Å; A446-F448 HydrophobicContact CB-CD1 4.48Å; A446-F448 HydrophobicContact CB-CD2 3.73Å; A446-F448 HydrophobicContact CB-CE1 4.19Å; A446-F448 HydrophobicContact CB-CE2 3.43Å; A446-F448 VanDerWaalsContact CB-CE2 3.43Å; A446-F448 HydrophobicContact CB-CG 4.27Å; A446-F448 HydrophobicContact CB-CZ 3.68Å
447N89.1Confident89.7Confident47 Ų4734.2 Ų34.225%0.25122%0.224SC..  trans-130.748.9-178.3-68.1-72.5000111.4P413 Y418 G419 H420P413-N447 VanDerWaalsContact CA-OD1 3.27Å; P413-N447 WeakPolarHBondContact CA-OD1 3.37Å; P413-N447 HydrophobicContact CB-CB 4.16Å; Y418-N447 PolarHBondContact O-ND2 2.9Å; G419-N447 WeakPolarHBondContact CA-ND2 3.44Å; G419-N447 PolarHBondContact O-ND2 3.24Å; H420-N447 PolarHBondContact O-ND2 3.1Å
448F88.8Confident89.5Confident7 Ų733.3 Ų33.33%0.03122%0.221CC..PPolyproline II helixtrans-69.1152.8-178.7-60.4-46.2000112.3M358 L411 P413 A446 K450 L459 E463 T466 Y467M358-F448 HydrophobicContact CE-CB 3.52Å; M358-F448 HydrophobicContact CE-CD2 3.56Å; M358-F448 HydrophobicContact CE-CG 3.88Å; M358-F448 HydrophobicContact SD-CD2 4.46Å; L411-F448 HydrophobicContact CB-CD2 4.19Å; L411-F448 HydrophobicContact CD2-CD2 4.42Å; L411-F448 HydrophobicContact CD2-CE2 4.28Å; L411-F448 PolarHBondContact O-N 3.39Å; P413-F448 WeakPolarHBondContact CD-O 3.43Å; A446-F448 HydrophobicContact CB-CD1 4.48Å; A446-F448 HydrophobicContact CB-CD2 3.73Å; A446-F448 HydrophobicContact CB-CE1 4.19Å; A446-F448 HydrophobicContact CB-CE2 3.43Å; A446-F448 VanDerWaalsContact CB-CE2 3.43Å; A446-F448 HydrophobicContact CB-CG 4.27Å; A446-F448 HydrophobicContact CB-CZ 3.68Å; F448-K450 PolarHBondContact O-N 3.08Å; F448-L459 HydrophobicContact CB-CD2 3.62Å; F448-L459 HydrophobicContact CD1-CD2 4.12Å; F448-L459 HydrophobicContact CD2-CD2 4.46Å; F448-L459 HydrophobicContact CG-CD2 3.83Å; F448-E463 WeakPolarHBondContact CA-OE1 3.31Å; F448-E463 HydrophobicContact CD1-CB 3.67Å; F448-E463 HydrophobicContact CD1-CG 3.83Å; F448-E463 HydrophobicContact CE1-CB 3.73Å; F448-E463 HydrophobicContact CE1-CG 4.2Å; F448-E463 VanDerWaalsContact CE1-O 3.27Å; F448-E463 WeakPolarHBondContact CE1-O 3.26Å; F448-E463 WeakPolarHBondContact CZ-O 3.33Å; F448-T466 HydrophobicContact CE1-CG2 4.47Å; F448-Y467 AromaticContact CE2-CD1 3.73Å; F448-Y467 HydrophobicContact CE2-CD1 3.73Å; F448-Y467 HydrophobicContact CE2-CD2 4.49Å; F448-Y467 HydrophobicContact CE2-CE1 4.28Å; F448-Y467 AromaticContact CE2-CG 3.85Å; F448-Y467 HydrophobicContact CE2-CG 3.85Å; F448-Y467 HydrophobicContact CZ-CD1 4.23Å; F448-Y467 HydrophobicContact CZ-CG 4.04Å
449S78.8Confident89.4Confident58 Ų5833.1 Ų33.141%0.40622%0.22SC..PPolyproline II helixtrans-49.6124.6-179.4-64.30000112.1S457 E463S449-S457 WeakPolarHBondContact O-CB 3.23Å; S449-S457 PolarHBondContact O-OG 2.87Å; S449-E463 PolarHBondContact N-OE1 3.11Å; S449-E463 PolarHBondContact OG-OE1 2.94Å
450K78.5Confident89.1Confident98 Ų9835.2 Ų35.243%0.42623%0.23SC..PPolyproline II helixtrans-70.2155.4177.7-78.2-170.3175.91740112Y412 P413 F448Y412-K450 HydrophobicContact CD1-CG 4.19Å; Y412-K450 HydrophobicContact CG-CG 4.33Å; P413-K450 HydrophobicContact CG-CG 4.28Å; P413-K450 WeakPolarHBondContact O-CE 3.47Å; P413-K450 PolarHBondContact O-NZ 3.45Å; F448-K450 PolarHBondContact O-N 3.08Å
451P82.1Confident88.9Confident73 Ų7335.4 Ų35.447%0.47423%0.231SC..PPolyproline II helixtrans-55.8143.1164-19.331.6000111.2
452T77.5Confident88.5Confident92 Ų9238.8 Ų38.856%0.56425%0.249SC*.  trans-105.8172.9170.568.90000109.9A454 A455T452-A454 PolarHBondContact O-N 2.83Å; T452-A454 PolarHBondContact OG1-N 3.44Å; T452-A455 PolarHBondContact N-O 3.43Å; T452-A455 PolarHBondContact OG1-N 3.33Å; T452-A455 PolarHBondContact OG1-O 3.41Å
453A76.2Confident88.2Confident122 Ų12240.1 Ų40.1100%1.00826%0.255SS*.SBendtrans-60.8-24.717300000113
454A77Confident88.1Confident88 Ų8840.1 Ų40.173%0.72726%0.255SS*.SBendtrans-103.4-18.1-173.800000114.3T452T452-A454 PolarHBondContact O-N 2.83Å; T452-A454 PolarHBondContact OG1-N 3.44Å
455A79.3Confident88.1Confident26 Ų2642.3 Ų42.322%0.21527%0.265CS..SBendtrans-150.9147.8-17600000111.9T452 L458 Y521T452-A455 PolarHBondContact N-O 3.43Å; T452-A455 PolarHBondContact OG1-N 3.33Å; T452-A455 PolarHBondContact OG1-O 3.41Å; A455-L458 HydrophobicContact CB-CD1 4.49Å; A455-Y521 HydrophobicContact CB-CE2 4.38Å
456P91.8Very high88Confident58 Ų5844.6 Ų44.638%0.37728%0.28SS..  trans-63.8175.4170.230.5-34.9000111.1L458 Y521P456-L458 HydrophobicContact CG-CD2 3.95Å; P456-L458 PolarHBondContact O-N 2.82Å; P456-L458 VanDerWaalsContact O-N 3.16Å; P456-Y521 VanDerWaalsContact CD-CD2 3.46Å; P456-Y521 HydrophobicContact CG-CD2 3.78Å; P456-Y521 HydrophobicContact CG-CG 4.21Å
457S92.3Very high88.2Confident4 Ų444.6 Ų44.63%0.02828%0.28CS..  trans-62.8115.2168.5172.50000109.3P357 M358 S449P357-S457 WeakPolarHBondContact CA-O 3.27Å; M358-S457 PolarHBondContact N-O 3.49Å; S449-S457 WeakPolarHBondContact O-CB 3.23Å; S449-S457 PolarHBondContact O-OG 2.87Å
458L92.2Very high88.7Confident18 Ų1842.5 Ų42.59%0.09427%0.268CS..BIsolated β-bridgetrans-113.2122.9179.3-62.2-178.5000108.6K353 P357 A455 P456 Y521K353-L458 HydrophobicContact CB-CB 4.27Å; K353-L458 HydrophobicContact CG-CB 4.25Å; K353-L458 HydrophobicContact CG-CD1 4.41Å; P357-L458 HydrophobicContact CB-CD2 4.4Å; P357-L458 HydrophobicContact CG-CD2 4.3Å; A455-L458 HydrophobicContact CB-CD1 4.49Å; P456-L458 HydrophobicContact CG-CD2 3.95Å; P456-L458 PolarHBondContact O-N 2.82Å; P456-L458 VanDerWaalsContact O-N 3.16Å; L458-Y521 HydrophobicContact CD1-CD1 4.43Å; L458-Y521 HydrophobicContact CD1-CE1 4.4Å; L458-Y521 HydrophobicContact CD2-CD1 4.32Å; L458-Y521 HydrophobicContact CD2-CG 4.13Å
459L92.5Very high89.1Confident0 Ų043.3 Ų43.30%027%0.272CS..  trans-89.6137.7-177.6-60.2-173.9000111.5K353 F356 M358 V361 F448 E463 V464 Y467K353-L459 WeakPolarHBondContact CA-O 3.39Å; K353-L459 VanDerWaalsContact CB-O 3.3Å; K353-L459 WeakPolarHBondContact CB-O 3.34Å; F356-L459 HydrophobicContact CB-CB 4.16Å; F356-L459 WeakPolarHBondContact CB-O 3.42Å; F356-L459 PolarHBondContact O-N 3.32Å; M358-L459 HydrophobicContact CE-CD1 4.22Å; M358-L459 HydrophobicContact CE-CD2 3.7Å; M358-L459 HydrophobicContact CE-CG 4.32Å; M358-L459 HydrophobicContact SD-CD1 4.26Å; V361-L459 HydrophobicContact CB-CD1 4.08Å; V361-L459 HydrophobicContact CG1-CD1 3.98Å; V361-L459 HydrophobicContact CG2-CD1 4.13Å; F448-L459 HydrophobicContact CB-CD2 3.62Å; F448-L459 HydrophobicContact CD1-CD2 4.12Å; F448-L459 HydrophobicContact CD2-CD2 4.46Å; F448-L459 HydrophobicContact CG-CD2 3.83Å; L459-E463 WeakPolarHBondContact CA-OE2 3.27Å; L459-E463 HydrophobicContact CB-CB 4.14Å; L459-E463 HydrophobicContact CD2-CB 4.15Å; L459-V464 HydrophobicContact CB-CG2 3.88Å; L459-V464 HydrophobicContact CD1-CG2 4.19Å; L459-Y467 HydrophobicContact CD1-CD1 4.39Å
460Q90.6Very high90Very high46 Ų4641.5 Ų41.522%0.21526%0.257CS..  trans-68.5160.4160-57.6-65.3-1500110.1Q349 D462 E463 V464Q349-Q460 PolarHBondContact O-OE1 3.31Å; Q460-D462 VanDerWaalsContact C-N 3.32Å; Q460-D462 WeakPolarHBondContact CB-OD1 3.38Å; Q460-D462 PolarHBondContact O-N 3.32Å; Q460-E463 HydrophobicContact CB-CG 4.28Å; Q460-E463 PolarHBondContact N-OE2 2.62Å; Q460-E463 WeakPolarHBondContact O-CB 2.94Å; Q460-E463 PolarHBondContact O-N 2.84Å; Q460-E463 VanDerWaalsContact O-N 3.15Å; Q460-V464 WeakPolarHBondContact O-CG2 3.36Å; Q460-V464 PolarHBondContact O-N 3.16Å; Q460-V464 VanDerWaalsContact O-N 3.11Å
461H93.6Very high91Very high7 Ų736.8 Ų36.83%0.03224%0.237CC..Hα-helixtrans-64.1-35.6179.8179.2-103.1000113.1L352 E463 V464 E465 V508 W509 L535L352-H461 HydrophobicContact CD2-CB 4Å; H461-E463 VanDerWaalsContact C-N 3.3Å; H461-E463 PolarHBondContact O-N 2.84Å; H461-V464 WeakPolarHBondContact O-CB 3.49Å; H461-V464 PolarHBondContact O-N 2.74Å; H461-V464 VanDerWaalsContact O-N 3.11Å; H461-E465 PolarHBondContact O-N 3.28Å; H461-V508 PolarHBondContact NE2-O 3.3Å; H461-W509 AromaticContact CE1-CD2 3.83Å; H461-W509 AromaticContact CE1-CE2 3.65Å; H461-W509 AromaticContact CE1-CE3 3.74Å; H461-W509 AromaticContact CE1-CH2 3.4Å; H461-W509 WeakPolarHBondContact CE1-CH2 3.48Å; H461-W509 AromaticContact CE1-CZ2 3.46Å; H461-W509 VanDerWaalsContact CE1-CZ2 3.46Å; H461-W509 WeakPolarHBondContact CE1-CZ2 3.15Å; H461-W509 AromaticContact CE1-CZ3 3.53Å; H461-W509 AromaticContact ND1-CH2 3.69Å; H461-W509 AromaticContact ND1-CZ2 3.97Å; H461-L535 HydrophobicContact CB-CD1 4.24Å
462D90.7Very high91.8Very high70 Ų7033.3 Ų33.337%0.37421%0.214SC..Hα-helixtrans-66.7-30.3174.260.2-29.7000112.6K225 Q460 T466K225-D462 IonicContact NZ-OD2 2.98Å; Q460-D462 VanDerWaalsContact C-N 3.32Å; Q460-D462 WeakPolarHBondContact CB-OD1 3.38Å; Q460-D462 PolarHBondContact O-N 3.32Å; D462-T466 WeakPolarHBondContact O-CB 3.43Å; D462-T466 PolarHBondContact O-N 2.7Å; D462-T466 PolarHBondContact O-OG1 2.68Å
463E92.3Very high92.8Very high29 Ų2929.6 Ų29.614%0.13619%0.19CC..Hα-helixtrans-68.4-37.8169.8-68.7177.2113.200111.8F448 S449 L459 Q460 H461 T466 Y467F448-E463 WeakPolarHBondContact CA-OE1 3.31Å; F448-E463 HydrophobicContact CD1-CB 3.67Å; F448-E463 HydrophobicContact CD1-CG 3.83Å; F448-E463 HydrophobicContact CE1-CB 3.73Å; F448-E463 HydrophobicContact CE1-CG 4.2Å; F448-E463 VanDerWaalsContact CE1-O 3.27Å; F448-E463 WeakPolarHBondContact CE1-O 3.26Å; F448-E463 WeakPolarHBondContact CZ-O 3.33Å; S449-E463 PolarHBondContact N-OE1 3.11Å; S449-E463 PolarHBondContact OG-OE1 2.94Å; L459-E463 WeakPolarHBondContact CA-OE2 3.27Å; L459-E463 HydrophobicContact CB-CB 4.14Å; L459-E463 HydrophobicContact CD2-CB 4.15Å; Q460-E463 HydrophobicContact CB-CG 4.28Å; Q460-E463 PolarHBondContact N-OE2 2.62Å; Q460-E463 WeakPolarHBondContact O-CB 2.94Å; Q460-E463 PolarHBondContact O-N 2.84Å; Q460-E463 VanDerWaalsContact O-N 3.15Å; H461-E463 VanDerWaalsContact C-N 3.3Å; H461-E463 PolarHBondContact O-N 2.84Å; E463-T466 PolarHBondContact O-N 3.45Å; E463-Y467 PolarHBondContact O-N 3.37Å
464V97.1Very high93.9Very high0 Ų023.8 Ų23.80%014%0.142CC..Hα-helixtrans-66.1-42.4174.3-178.70000111.1F356 V361 L459 Q460 H461 Y467 F468 V508 M517F356-V464 HydrophobicContact CB-CG2 4.2Å; F356-V464 HydrophobicContact CD1-CG2 4.05Å; F356-V464 HydrophobicContact CG-CG2 4.07Å; V361-V464 HydrophobicContact CG1-CG1 4.05Å; V361-V464 HydrophobicContact CG1-CG2 4.19Å; V361-V464 HydrophobicContact CG2-CG2 4.08Å; L459-V464 HydrophobicContact CB-CG2 3.88Å; L459-V464 HydrophobicContact CD1-CG2 4.19Å; Q460-V464 WeakPolarHBondContact O-CG2 3.36Å; Q460-V464 PolarHBondContact O-N 3.16Å; Q460-V464 VanDerWaalsContact O-N 3.11Å; H461-V464 WeakPolarHBondContact O-CB 3.49Å; H461-V464 PolarHBondContact O-N 2.74Å; H461-V464 VanDerWaalsContact O-N 3.11Å; V464-Y467 WeakPolarHBondContact O-CB 3.39Å; V464-Y467 PolarHBondContact O-N 2.94Å; V464-F468 PolarHBondContact O-N 3.39Å; V464-V508 HydrophobicContact CG1-CB 4.49Å; V464-V508 HydrophobicContact CG1-CG1 3.87Å; V464-M517 HydrophobicContact CG1-SD 4.48Å
465E97.6Very high94.9Very high45 Ų4519.6 Ų19.621%0.2111%0.108CC..Hα-helixtrans-58.3-49.1172.9-172.6170.6-128.800111.3H461 Y467 F468 H469 E505 V508 W509H461-E465 PolarHBondContact O-N 3.28Å; E465-Y467 VanDerWaalsContact C-N 3.3Å; E465-Y467 PolarHBondContact O-N 2.77Å; E465-F468 WeakPolarHBondContact O-CB 3.46Å; E465-F468 PolarHBondContact O-N 2.92Å; E465-F468 VanDerWaalsContact O-N 3.1Å; E465-H469 PolarHBondContact O-N 2.82Å; E465-E505 HydrophobicContact CG-CB 4.17Å; E465-E505 HydrophobicContact CG-CG 3.94Å; E465-V508 HydrophobicContact CB-CG2 3.74Å; E465-V508 HydrophobicContact CG-CG2 3.85Å; E465-W509 PolarHBondContact OE1-NE1 3.24Å
466T96.4Very high95.9Very high49 Ų4918.4 Ų18.430%0.30110%0.097SC..Hα-helixtrans-57.9-41.4176.1-56.60000111.5A421 F448 D462 E463 F468 H469 E470A421-T466 HydrophobicContact CB-CG2 3.33Å; F448-T466 HydrophobicContact CE1-CG2 4.47Å; D462-T466 WeakPolarHBondContact O-CB 3.43Å; D462-T466 PolarHBondContact O-N 2.7Å; D462-T466 PolarHBondContact O-OG1 2.68Å; E463-T466 PolarHBondContact O-N 3.45Å; T466-F468 PolarHBondContact O-N 3.04Å; T466-H469 WeakPolarHBondContact O-CB 3.32Å; T466-H469 PolarHBondContact O-N 3.21Å; T466-E470 HydrophobicContact CG2-CG 4.47Å; T466-E470 WeakPolarHBondContact O-CG 3.49Å; T466-E470 PolarHBondContact O-N 3.29Å
467Y98.3Very high96.2Very high0 Ų015.9 Ų15.90%08%0.081CC..Hα-helixtrans-62.6-43.9176.8-156.9162.8000110.9M358 V361 T362 L365 L409 L411 M444 F448 L459 E463 V464 E465 F471M358-Y467 HydrophobicContact SD-CE1 4.02Å; V361-Y467 HydrophobicContact CG1-CD1 4.05Å; V361-Y467 HydrophobicContact CG1-CE1 4.5Å; T362-Y467 WeakPolarHBondContact CG2-OH 3.36Å; T362-Y467 WeakPolarHBondContact OG1-CE1 3.47Å; T362-Y467 PolarHBondContact OG1-OH 3.21Å; L365-Y467 HydrophobicContact CD1-CD1 4.16Å; L365-Y467 HydrophobicContact CD1-CD2 3.4Å; L365-Y467 VanDerWaalsContact CD1-CD2 3.4Å; L365-Y467 HydrophobicContact CD1-CE2 3.8Å; L365-Y467 HydrophobicContact CD1-CG 3.6Å; L409-Y467 WeakPolarHBondContact CD1-OH 3.42Å; L409-Y467 HydrophobicContact CD2-CE2 4.43Å; L411-Y467 HydrophobicContact CD1-CE1 4.21Å; L411-Y467 WeakPolarHBondContact CD1-OH 3.47Å; L411-Y467 HydrophobicContact CD2-CE2 4.38Å; M444-Y467 HydrophobicContact CE-CD2 3.43Å; M444-Y467 VanDerWaalsContact CE-CD2 3.43Å; M444-Y467 HydrophobicContact CE-CE2 3.32Å; M444-Y467 HydrophobicContact CE-CG 4.36Å; M444-Y467 HydrophobicContact SD-CD2 3.59Å; M444-Y467 VanDerWaalsContact SD-CD2 3.59Å; M444-Y467 HydrophobicContact SD-CE2 3.62Å; F448-Y467 AromaticContact CE2-CD1 3.73Å; F448-Y467 HydrophobicContact CE2-CD1 3.73Å; F448-Y467 HydrophobicContact CE2-CD2 4.49Å; F448-Y467 HydrophobicContact CE2-CE1 4.28Å; F448-Y467 AromaticContact CE2-CG 3.85Å; F448-Y467 HydrophobicContact CE2-CG 3.85Å; F448-Y467 HydrophobicContact CZ-CD1 4.23Å; F448-Y467 HydrophobicContact CZ-CG 4.04Å; L459-Y467 HydrophobicContact CD1-CD1 4.39Å; E463-Y467 PolarHBondContact O-N 3.37Å; V464-Y467 WeakPolarHBondContact O-CB 3.39Å; V464-Y467 PolarHBondContact O-N 2.94Å; E465-Y467 VanDerWaalsContact C-N 3.3Å; E465-Y467 PolarHBondContact O-N 2.77Å; Y467-F471 VanDerWaalsContact O-CB 3.31Å; Y467-F471 WeakPolarHBondContact O-CB 3.15Å; Y467-F471 PolarHBondContact O-N 3.26Å
468F98.2Very high96.5Very high2 Ų215.8 Ų15.81%0.0098%0.08CC..Hα-helixtrans-61.6-44.8175.5-98.3-106.3000112.7L365 L368 Y369 V464 E465 T466 F471 G472 W507 V508 M517L365-F468 HydrophobicContact CB-CE2 3.65Å; L365-F468 HydrophobicContact CB-CZ 4.04Å; L365-F468 HydrophobicContact CD1-CD2 3.59Å; L365-F468 HydrophobicContact CD1-CE2 3.51Å; L365-F468 HydrophobicContact CD1-CG 4.42Å; L365-F468 HydrophobicContact CD1-CZ 4.36Å; L365-F468 HydrophobicContact CG-CD2 4.04Å; L365-F468 HydrophobicContact CG-CE2 3.49Å; L365-F468 VanDerWaalsContact CG-CE2 3.49Å; L365-F468 HydrophobicContact CG-CZ 3.89Å; L368-F468 HydrophobicContact CD1-CE1 4.35Å; L368-F468 HydrophobicContact CD1-CZ 3.75Å; Y369-F468 HydrophobicContact CE2-CD1 4.04Å; Y369-F468 AromaticContact CE2-CE1 3.92Å; Y369-F468 HydrophobicContact CE2-CE1 3.92Å; Y369-F468 HydrophobicContact CE2-CZ 4.4Å; Y369-F468 PolarHBondContact OH-O 3.34Å; V464-F468 PolarHBondContact O-N 3.39Å; E465-F468 WeakPolarHBondContact O-CB 3.46Å; E465-F468 PolarHBondContact O-N 2.92Å; E465-F468 VanDerWaalsContact O-N 3.1Å; T466-F468 PolarHBondContact O-N 3.04Å; F468-F471 PolarHBondContact O-N 2.77Å; F468-G472 PolarHBondContact O-N 3.41Å; F468-W507 HydrophobicContact CD1-CB 3.96Å; F468-W507 HydrophobicContact CE1-CB 3.69Å; F468-W507 HydrophobicContact CE1-CG 4.34Å; F468-V508 HydrophobicContact CB-CG1 3.85Å; F468-V508 HydrophobicContact CD1-CG1 4.09Å; F468-V508 HydrophobicContact CD2-CG1 3.46Å; F468-V508 VanDerWaalsContact CD2-CG1 3.46Å; F468-V508 HydrophobicContact CE2-CG1 4.1Å; F468-V508 HydrophobicContact CG-CG1 3.48Å; F468-V508 VanDerWaalsContact CG-CG1 3.48Å; F468-M517 HydrophobicContact CD2-SD 4.11Å; F468-M517 HydrophobicContact CE1-SD 4.46Å; F468-M517 HydrophobicContact CE2-CE 3.89Å; F468-M517 HydrophobicContact CE2-SD 3.03Å; F468-M517 WeakPolarHBondContact CE2-SD 3.44Å; F468-M517 HydrophobicContact CZ-CE 3.85Å; F468-M517 HydrophobicContact CZ-SD 3.25Å; F468-M517 WeakPolarHBondContact CZ-SD 3.41Å
469H98.4Very high96.8Very high25 Ų2515 Ų1512%0.1168%0.076CC..Hα-helixtrans-55.6-57.2177.1179102.6000111.1E465 T466 F471 G472 H473 E498 S501 E505E465-H469 PolarHBondContact O-N 2.82Å; T466-H469 WeakPolarHBondContact O-CB 3.32Å; T466-H469 PolarHBondContact O-N 3.21Å; H469-F471 VanDerWaalsContact C-N 3.33Å; H469-F471 PolarHBondContact O-N 2.99Å; H469-G472 WeakPolarHBondContact O-CA 3.25Å; H469-G472 PolarHBondContact O-N 3.03Å; H469-H473 AromaticContact CD2-CD2 3.85Å; H469-H473 AromaticContact CD2-NE2 3.88Å; H469-H473 AromaticContact NE2-CD2 3.67Å; H469-H473 AromaticContact NE2-NE2 3.22Å; H469-H473 PolarHBondContact NE2-NE2 2.87Å; H469-H473 PolarHBondContact O-N 2.63Å; H469-E498 IonicContact CE1-OE2 2.77Å; H469-E498 PolarHBondContact CE1-OE2 2.91Å; H469-E498 IonicContact NE2-OE2 3.81Å; H469-E498 PolarHBondContact NE2-OE2 2.99Å; H469-S501 PolarHBondContact CE1-OG 2.79Å; H469-S501 PolarHBondContact NE2-OG 3.09Å; H469-S501 WeakPolarHBondContact O-CB 3.41Å; H469-E505 HydrophobicContact CB-CG 4.1Å; H469-E505 IonicContact CE1-OE1 2.75Å; H469-E505 IonicContact CG-OE1 3.18Å; H469-E505 IonicContact ND1-OE1 2.74Å; H469-E505 PolarHBondContact ND1-OE1 3.28Å
470E98.5Very high97Very high19 Ų1915.1 Ų15.19%0.0898%0.077CC..Hα-helixtrans-66.5-35.6-176.2-65.3-54.8157.300112.5A421 A422 C423 M444 T466 G472 H473 V474A421-E470 HydrophobicContact CB-CG 3.8Å; A422-E470 VanDerWaalsContact CA-CD 3.47Å; A422-E470 WeakPolarHBondContact CA-OE2 3.47Å; C423-E470 PolarHBondContact N-OE2 3.27Å; M444-E470 HydrophobicContact CG-CB 3.6Å; M444-E470 HydrophobicContact SD-CB 3.78Å; T466-E470 HydrophobicContact CG2-CG 4.47Å; T466-E470 WeakPolarHBondContact O-CG 3.49Å; T466-E470 PolarHBondContact O-N 3.29Å; E470-G472 PolarHBondContact O-N 3.47Å; E470-H473 WeakPolarHBondContact O-CB 3.43Å; E470-H473 PolarHBondContact O-N 3.18Å; E470-H473 VanDerWaalsContact O-N 3.14Å; E470-H473 IonicContact OE2-CD2 3.28Å; E470-V474 PolarHBondContact O-N 3.03Å
471F98.8Very high97.3Very high0 Ų015.8 Ų15.80%08%0.08CC..Hα-helixtrans-68.9-25.5175.5-157.3-97.7000112.2L365 L366 Y369 F377 F407 L409 M444 Y467 F468 H469 H473 V474 M475L365-F471 HydrophobicContact CD1-CB 4.38Å; L365-F471 HydrophobicContact CD2-CB 4.05Å; L365-F471 HydrophobicContact CD2-CD1 3.6Å; L365-F471 HydrophobicContact CD2-CD2 3.95Å; L365-F471 HydrophobicContact CD2-CE1 3.93Å; L365-F471 HydrophobicContact CD2-CE2 4.28Å; L365-F471 HydrophobicContact CD2-CG 3.58Å; L365-F471 HydrophobicContact CD2-CZ 4.26Å; L366-F471 HydrophobicContact CD2-CE1 4.11Å; L366-F471 HydrophobicContact CD2-CE2 3.65Å; L366-F471 HydrophobicContact CD2-CZ 3.35Å; Y369-F471 HydrophobicContact CD1-CD1 4.01Å; Y369-F471 HydrophobicContact CD1-CE1 4.22Å; Y369-F471 AromaticContact CD2-CD1 3.36Å; Y369-F471 HydrophobicContact CD2-CD1 3.36Å; Y369-F471 AromaticContact CD2-CE1 3.72Å; Y369-F471 HydrophobicContact CD2-CE1 3.72Å; Y369-F471 HydrophobicContact CD2-CG 4.42Å; Y369-F471 HydrophobicContact CE1-CD1 4.04Å; Y369-F471 HydrophobicContact CE2-CB 4.15Å; Y369-F471 AromaticContact CE2-CD1 3.44Å; Y369-F471 HydrophobicContact CE2-CD1 3.44Å; Y369-F471 VanDerWaalsContact CE2-CD1 3.44Å; Y369-F471 HydrophobicContact CE2-CE1 4.27Å; Y369-F471 HydrophobicContact CE2-CG 4.2Å; Y369-F471 AromaticContact CG-CD1 3.65Å; Y369-F471 HydrophobicContact CG-CD1 3.65Å; Y369-F471 AromaticContact CG-CE1 3.68Å; Y369-F471 HydrophobicContact CG-CE1 3.68Å; Y369-F471 AromaticContact CZ-CD1 3.76Å; F377-F471 HydrophobicContact CD2-CZ 4.42Å; F377-F471 AromaticContact CE2-CE1 3.88Å; F377-F471 HydrophobicContact CE2-CE1 3.88Å; F377-F471 AromaticContact CE2-CZ 3.79Å; F377-F471 HydrophobicContact CE2-CZ 3.79Å; F377-F471 HydrophobicContact CZ-CE1 4.16Å; F377-F471 HydrophobicContact CZ-CZ 4.21Å; F407-F471 HydrophobicContact CD2-CE2 4.03Å; F407-F471 HydrophobicContact CE1-CE2 4.14Å; F407-F471 AromaticContact CE1-CZ 3.91Å; F407-F471 HydrophobicContact CE1-CZ 3.91Å; F407-F471 AromaticContact CE2-CE2 3.64Å; F407-F471 HydrophobicContact CE2-CE2 3.64Å; F407-F471 HydrophobicContact CE2-CZ 4.16Å; F407-F471 HydrophobicContact CG-CE2 4.45Å; F407-F471 AromaticContact CZ-CE2 3.7Å; F407-F471 HydrophobicContact CZ-CE2 3.7Å; F407-F471 AromaticContact CZ-CZ 3.71Å; F407-F471 HydrophobicContact CZ-CZ 3.71Å; L409-F471 HydrophobicContact CD2-CD2 4.5Å; L409-F471 HydrophobicContact CD2-CE2 4.47Å; M444-F471 HydrophobicContact SD-CB 4.22Å; M444-F471 HydrophobicContact SD-CD2 4.2Å; Y467-F471 VanDerWaalsContact O-CB 3.31Å; Y467-F471 WeakPolarHBondContact O-CB 3.15Å; Y467-F471 PolarHBondContact O-N 3.26Å; F468-F471 PolarHBondContact O-N 2.77Å; H469-F471 VanDerWaalsContact C-N 3.33Å; H469-F471 PolarHBondContact O-N 2.99Å; F471-H473 VanDerWaalsContact C-N 3.35Å; F471-V474 HydrophobicContact CD2-CB 4.33Å; F471-V474 HydrophobicContact CD2-CG2 4.41Å; F471-V474 HydrophobicContact CE2-CG1 4.41Å; F471-V474 WeakPolarHBondContact O-CB 3.41Å; F471-V474 PolarHBondContact O-N 2.96Å; F471-M475 HydrophobicContact CD1-CE 4.24Å; F471-M475 HydrophobicContact CD1-CG 3.87Å; F471-M475 HydrophobicContact CD1-SD 4.44Å; F471-M475 HydrophobicContact CE1-CE 3.51Å; F471-M475 HydrophobicContact CE1-CG 3.78Å; F471-M475 HydrophobicContact CE1-SD 3.75Å; F471-M475 HydrophobicContact CE2-CE 4.25Å; F471-M475 HydrophobicContact CZ-CE 3.52Å; F471-M475 HydrophobicContact CZ-SD 4.3Å; F471-M475 WeakPolarHBondContact O-CG 3.43Å; F471-M475 PolarHBondContact O-N 3.4Å
472G98.6Very high97.5Very high0 Ų015.5 Ų15.50%08%0.079CC..Hα-helixtrans-60-43.7168.400000112.3Y369 F468 H469 E470 M475 H476 L504Y369-G472 PolarHBondContact OH-N 3.29Å; F468-G472 PolarHBondContact O-N 3.41Å; H469-G472 WeakPolarHBondContact O-CA 3.25Å; H469-G472 PolarHBondContact O-N 3.03Å; E470-G472 PolarHBondContact O-N 3.47Å; G472-M475 PolarHBondContact O-N 3.27Å; G472-H476 PolarHBondContact O-N 3.45Å; G472-L504 VanDerWaalsContact CA-CD1 3.48Å
473H98.8Very high97.9Very high13 Ų1315.1 Ų15.16%0.068%0.077CC..Hα-helixtrans-64.1-40.1172.8-71.3-51.8000112.4C423 H469 E470 F471 M475 H476 Q477 V497 E498 S501C423-H473 HydrophobicContact CB-CB 3.45Å; C423-H473 VanDerWaalsContact CB-CB 3.45Å; H469-H473 AromaticContact CD2-CD2 3.85Å; H469-H473 AromaticContact CD2-NE2 3.88Å; H469-H473 AromaticContact NE2-CD2 3.67Å; H469-H473 AromaticContact NE2-NE2 3.22Å; H469-H473 PolarHBondContact NE2-NE2 2.87Å; H469-H473 PolarHBondContact O-N 2.63Å; E470-H473 WeakPolarHBondContact O-CB 3.43Å; E470-H473 PolarHBondContact O-N 3.18Å; E470-H473 VanDerWaalsContact O-N 3.14Å; E470-H473 IonicContact OE2-CD2 3.28Å; F471-H473 VanDerWaalsContact C-N 3.35Å; H473-M475 VanDerWaalsContact C-N 3.34Å; H473-M475 PolarHBondContact O-N 2.84Å; H473-H476 PolarHBondContact O-N 3.08Å; H473-Q477 WeakPolarHBondContact O-CB 3.4Å; H473-Q477 PolarHBondContact O-N 2.53Å; H473-V497 PolarHBondContact CE1-O 3.14Å; H473-E498 IonicContact CE1-OE2 3.32Å; H473-E498 PolarHBondContact CE1-OE2 3.41Å; H473-E498 IonicContact NE2-OE1 2.89Å; H473-E498 IonicContact NE2-OE2 2.62Å; H473-E498 PolarHBondContact NE2-OE2 3.05Å; H473-S501 PolarHBondContact CE1-OG 3.38Å; H473-S501 VanDerWaalsContact CE1-OG 3.31Å; H473-S501 PolarHBondContact NE2-OG 2.93Å
474V98.9Very high98.2Very high0 Ų015.9 Ų15.90%08%0.079CC..Hα-helixtrans-58.5-47.4173.9179.10000110.2F407 C423 A442 M444 E470 F471 H476 Q477 L478F407-V474 HydrophobicContact CB-CG1 3.48Å; F407-V474 VanDerWaalsContact CB-CG1 3.48Å; F407-V474 HydrophobicContact CD1-CG1 4.15Å; F407-V474 HydrophobicContact CG-CG1 3.83Å; C423-V474 HydrophobicContact CB-CG2 4.34Å; A442-V474 HydrophobicContact CB-CG1 4.11Å; M444-V474 HydrophobicContact CB-CG2 3.82Å; M444-V474 HydrophobicContact CG-CG2 3.97Å; E470-V474 PolarHBondContact O-N 3.03Å; F471-V474 HydrophobicContact CD2-CB 4.33Å; F471-V474 HydrophobicContact CD2-CG2 4.41Å; F471-V474 HydrophobicContact CE2-CG1 4.41Å; F471-V474 WeakPolarHBondContact O-CB 3.41Å; F471-V474 PolarHBondContact O-N 2.96Å; V474-H476 VanDerWaalsContact C-N 3.35Å; V474-H476 PolarHBondContact O-N 3.47Å; V474-Q477 WeakPolarHBondContact O-CB 3.19Å; V474-Q477 PolarHBondContact O-N 3.48Å; V474-L478 HydrophobicContact CG1-CD1 4.19Å; V474-L478 HydrophobicContact CG1-CG 4.32Å; V474-L478 WeakPolarHBondContact O-CG 3.34Å; V474-L478 PolarHBondContact O-N 3.18Å
475M98.8Very high98.2Very high1 Ų116 Ų161%0.0058%0.08CC..Hα-helixtrans-66.1-36.2179-66.9-59.19500112.7Y369 L373 L375 F377 F407 F471 G472 H473 L478 C479 L642Y369-M475 HydrophobicContact CD1-CG 3.6Å; Y369-M475 HydrophobicContact CD1-SD 4.49Å; Y369-M475 HydrophobicContact CE1-CB 4.5Å; Y369-M475 HydrophobicContact CE1-CG 3.83Å; Y369-M475 HydrophobicContact CG-CG 4.34Å; L373-M475 HydrophobicContact CD1-CB 3.78Å; L373-M475 HydrophobicContact CD1-CG 3.65Å; L373-M475 HydrophobicContact CD1-SD 3.82Å; L375-M475 HydrophobicContact CD1-SD 4.04Å; F377-M475 HydrophobicContact CE1-SD 4.23Å; F377-M475 HydrophobicContact CZ-CE 4.18Å; F377-M475 HydrophobicContact CZ-SD 3.7Å; F407-M475 HydrophobicContact CD1-CE 4.29Å; F407-M475 HydrophobicContact CE1-CE 4.4Å; F471-M475 HydrophobicContact CD1-CE 4.24Å; F471-M475 HydrophobicContact CD1-CG 3.87Å; F471-M475 HydrophobicContact CD1-SD 4.44Å; F471-M475 HydrophobicContact CE1-CE 3.51Å; F471-M475 HydrophobicContact CE1-CG 3.78Å; F471-M475 HydrophobicContact CE1-SD 3.75Å; F471-M475 HydrophobicContact CE2-CE 4.25Å; F471-M475 HydrophobicContact CZ-CE 3.52Å; F471-M475 HydrophobicContact CZ-SD 4.3Å; F471-M475 WeakPolarHBondContact O-CG 3.43Å; F471-M475 PolarHBondContact O-N 3.4Å; G472-M475 PolarHBondContact O-N 3.27Å; H473-M475 VanDerWaalsContact C-N 3.34Å; H473-M475 PolarHBondContact O-N 2.84Å; M475-L478 HydrophobicContact CE-CD1 4.05Å; M475-L478 PolarHBondContact O-N 3.34Å; M475-C479 WeakPolarHBondContact O-CB 3.4Å; M475-C479 PolarHBondContact O-N 2.96Å; M475-C479 PolarHBondContact O-SG 3.02Å; M475-L642 HydrophobicContact CB-CD1 4.48Å
476H98.8Very high98.2Very high0 Ų015.4 Ų15.40%08%0.078CC..Hα-helixtrans-61.7-46.5172-166.6177.5000111.1G472 H473 V474 L478 A480 T490 L642G472-H476 PolarHBondContact O-N 3.45Å; H473-H476 PolarHBondContact O-N 3.08Å; V474-H476 VanDerWaalsContact C-N 3.35Å; V474-H476 PolarHBondContact O-N 3.47Å; H476-L478 VanDerWaalsContact C-N 3.34Å; H476-L478 PolarHBondContact O-N 2.79Å; H476-A480 WeakPolarHBondContact O-CB 3.16Å; H476-A480 PolarHBondContact O-N 3.09Å; H476-T490 HydrophobicContact CB-CG2 4Å; H476-L642 HydrophobicContact CB-CD2 3.85Å
477Q98.8Very high98.3Very high5 Ų513.1 Ų13.12%0.0236%0.063CC..Hα-helixtrans-58.7-42.9176.7-178.361.834.700112.7S440 A442 H473 V474S440-Q477 PolarHBondContact OG-NE2 2.64Å; S440-Q477 PolarHBondContact OG-O 3.34Å; A442-Q477 HydrophobicContact CB-CB 4.26Å; A442-Q477 HydrophobicContact CB-CG 3.92Å; H473-Q477 WeakPolarHBondContact O-CB 3.4Å; H473-Q477 PolarHBondContact O-N 2.53Å; V474-Q477 WeakPolarHBondContact O-CB 3.19Å; V474-Q477 PolarHBondContact O-N 3.48Å
478L98.4Very high98.3Very high3 Ų313.1 Ų13.12%0.0166%0.064CC..Hα-helixtrans-82.6-36.1-175.3-61.3-167.3000113.6V395 V404 Q406 F407 S440 A442 V474 M475 H476V395-L478 HydrophobicContact CB-CD1 4.34Å; V395-L478 HydrophobicContact CG2-CD1 3.67Å; V404-L478 HydrophobicContact CG1-CB 4.39Å; V404-L478 WeakPolarHBondContact CG1-O 3.44Å; Q406-L478 WeakPolarHBondContact O-CD2 3.43Å; F407-L478 HydrophobicContact CB-CD1 4.23Å; F407-L478 HydrophobicContact CD1-CD1 3.84Å; S440-L478 WeakPolarHBondContact O-CD2 3.42Å; A442-L478 HydrophobicContact CB-CD2 4.34Å; V474-L478 HydrophobicContact CG1-CD1 4.19Å; V474-L478 HydrophobicContact CG1-CG 4.32Å; V474-L478 WeakPolarHBondContact O-CG 3.34Å; V474-L478 PolarHBondContact O-N 3.18Å; M475-L478 HydrophobicContact CE-CD1 4.05Å; M475-L478 PolarHBondContact O-N 3.34Å; H476-L478 VanDerWaalsContact C-N 3.34Å; H476-L478 PolarHBondContact O-N 2.79Å
479C98.4Very high98.3Very high1 Ų113 Ų131%0.0076%0.063CC..Hα-helixtrans-80.7-18.8-177.1-66.30000113.2M475 R638 L642 Q643M475-C479 WeakPolarHBondContact O-CB 3.4Å; M475-C479 PolarHBondContact O-N 2.96Å; M475-C479 PolarHBondContact O-SG 3.02Å; C479-R638 HydrophobicContact CB-CG 4.17Å; C479-L642 HydrophobicContact CB-CB 3.75Å; C479-L642 HydrophobicContact CB-CD1 4.08Å; C479-Q643 WeakPolarHBondContact O-CA 3.36Å
480A98.2Very high98.2Very high3 Ų313.8 Ų13.83%0.0257%0.07CC..  trans-62.5134.6174.900000111.8H476 G489 L642H476-A480 WeakPolarHBondContact O-CB 3.16Å; H476-A480 PolarHBondContact O-N 3.09Å; A480-G489 VanDerWaalsContact CB-CA 3.5Å; A480-G489 VanDerWaalsContact CB-N 3.3Å; A480-L642 VanDerWaalsContact CA-O 3.24Å; A480-L642 WeakPolarHBondContact CA-O 3.43Å; A480-L642 WeakPolarHBondContact CB-O 3.49Å
481Q96.6Very high98.2Very high60 Ų6017.7 Ų17.728%0.289%0.088SC..  trans-129.631.8-176.4-65-172.5-21.300112.3R437 Q643R437-Q481 PolarHBondContact NH1-O 3Å; R437-Q481 PolarHBondContact NH2-O 3.17Å; R437-Q481 VanDerWaalsContact NH2-O 3.11Å; Q481-Q643 HydrophobicContact CB-CG 4.03Å; Q481-Q643 HydrophobicContact CG-CG 4.18Å; Q481-Q643 PolarHBondContact N-O 3.49Å
482A97.4Very high98.2Very high1 Ų118.8 Ų18.81%0.0089%0.094CC..  trans-55.7150.7171.700000111.3C430 R437 F487C430-A482 WeakPolarHBondContact CA-O 3.41Å; R437-A482 PolarHBondContact NH1-O 3.07Å; A482-F487 HydrophobicContact CB-CB 3.89Å; A482-F487 WeakPolarHBondContact CB-O 3.45Å
483D98Very high98.1Very high62 Ų6219.3 Ų19.333%0.33210%0.097SC..SBendtrans-82.8-33.6178.5-72-14.9000112E134 C430 L431 R437E134-D483 VanDerWaalsContact CD-N 3.29Å; E134-D483 PolarHBondContact OE1-N 2.88Å; E134-D483 PolarHBondContact OE2-N 3.07Å; C430-D483 WeakPolarHBondContact CB-O 3.45Å; L431-D483 HydrophobicContact CD1-CB 3.85Å; L431-D483 HydrophobicContact CG-CB 4.06Å; L431-D483 PolarHBondContact N-O 3.11Å; R437-D483 IonicContact CZ-OD1 3.54Å; R437-D483 IonicContact NH2-OD1 2.77Å; R437-D483 PolarHBondContact NH2-OD1 3.38Å
484Y98.3Very high97.9Very high44 Ų4424.1 Ų24.117%0.17311%0.114CC..SBendtrans-99.6136.7-179.1-66.2-97000111.7A66 E134 A135 Y138 M486 F487 S488A66-Y484 HydrophobicContact CB-CD1 3.62Å; A66-Y484 HydrophobicContact CB-CE1 3.64Å; E134-Y484 HydrophobicContact CB-CD2 4.35Å; E134-Y484 HydrophobicContact CB-CE2 4.38Å; E134-Y484 HydrophobicContact CG-CD2 3.78Å; E134-Y484 HydrophobicContact CG-CE2 4.3Å; E134-Y484 PolarHBondContact OE1-N 3.41Å; A135-Y484 WeakPolarHBondContact CA-OH 3.32Å; A135-Y484 HydrophobicContact CB-CE2 4.11Å; A135-Y484 WeakPolarHBondContact CB-OH 3.48Å; Y138-Y484 AromaticContact CD1-CD1 3.53Å; Y138-Y484 HydrophobicContact CD1-CD1 3.53Å; Y138-Y484 AromaticContact CD1-CE1 3.46Å; Y138-Y484 HydrophobicContact CD1-CE1 3.46Å; Y138-Y484 VanDerWaalsContact CD1-CE1 3.46Å; Y138-Y484 HydrophobicContact CD1-CG 4.42Å; Y138-Y484 AromaticContact CD2-CD1 3.77Å; Y138-Y484 HydrophobicContact CD2-CD1 3.77Å; Y138-Y484 HydrophobicContact CD2-CG 4.06Å; Y138-Y484 AromaticContact CE1-CD1 3.87Å; Y138-Y484 HydrophobicContact CE1-CD1 3.87Å; Y138-Y484 AromaticContact CE1-CE1 3.96Å; Y138-Y484 HydrophobicContact CE1-CE1 3.96Å; Y138-Y484 HydrophobicContact CE2-CD1 4.07Å; Y138-Y484 AromaticContact CG-CD1 3.49Å; Y138-Y484 HydrophobicContact CG-CD1 3.49Å; Y138-Y484 VanDerWaalsContact CG-CD1 3.49Å; Y138-Y484 AromaticContact CG-CE1 3.79Å; Y138-Y484 HydrophobicContact CG-CE1 3.79Å; Y138-Y484 AromaticContact CG-CG 3.95Å; Y138-Y484 HydrophobicContact CG-CG 3.95Å; Y484-M486 PolarHBondContact O-N 3.43Å; Y484-F487 PolarHBondContact O-N 3.36Å; Y484-S488 PolarHBondContact O-N 2.88Å
485A98.2Very high97.8Very high4 Ų424.1 Ų24.13%0.03311%0.114CC..G310 helixtrans-54.3-38.1179.200000112.8E69 V70 P428 F487 S488E69-A485 HydrophobicContact CG-CB 4.15Å; V70-A485 HydrophobicContact CG2-CB 4.12Å; P428-A485 HydrophobicContact CB-CB 4.48Å; P428-A485 HydrophobicContact CG-CB 4.36Å; A485-F487 PolarHBondContact O-N 2.95Å; A485-F487 VanDerWaalsContact O-N 3.07Å; A485-S488 WeakPolarHBondContact O-CB 3.47Å; A485-S488 PolarHBondContact O-N 2.72Å; A485-S488 PolarHBondContact O-OG 3.47Å
486M98.3Very high97.7Very high32 Ų3224.1 Ų24.116%0.15811%0.114CC..G310 helixtrans-52.8-26.8176-173.6169.1-73.500114.8E69 Y138 R141 L142 L145 Y484 H491E69-M486 WeakPolarHBondContact OE1-CA 3.33Å; E69-M486 VanDerWaalsContact OE1-CB 3.3Å; E69-M486 WeakPolarHBondContact OE1-CB 3.4Å; E69-M486 PolarHBondContact OE1-N 3.48Å; Y138-M486 HydrophobicContact CD2-CB 4.05Å; Y138-M486 HydrophobicContact CD2-CE 4.33Å; Y138-M486 HydrophobicContact CD2-CG 4.49Å; Y138-M486 HydrophobicContact CD2-SD 3.77Å; Y138-M486 HydrophobicContact CE2-CB 3.85Å; Y138-M486 HydrophobicContact CE2-CE 3.69Å; Y138-M486 HydrophobicContact CE2-CG 4.42Å; Y138-M486 HydrophobicContact CE2-SD 3.74Å; R141-M486 HydrophobicContact CB-SD 4.05Å; R141-M486 HydrophobicContact CG-SD 3.37Å; R141-M486 WeakPolarHBondContact CG-SD 3.35Å; L142-M486 HydrophobicContact CD2-CE 3.8Å; L145-M486 HydrophobicContact CD1-CE 4.15Å; L145-M486 HydrophobicContact CD1-SD 4.42Å; Y484-M486 PolarHBondContact O-N 3.43Å; M486-H491 WeakPolarHBondContact O-CB 3.48Å
487F98.6Very high97.6Very high0 Ų024.6 Ų24.60%012%0.117CC..G310 helixtrans-113.52.4-177.2-58.8-40.3000112.7E134 R137 Y138 R141 A482 Y484 A485 G646E134-F487 HydrophobicContact CG-CD2 3.82Å; E134-F487 HydrophobicContact CG-CE2 4.23Å; R137-F487 HydrophobicContact CB-CE2 4.2Å; R137-F487 HydrophobicContact CB-CZ 4.34Å; R137-F487 HydrophobicContact CG-CE1 4.43Å; R137-F487 HydrophobicContact CG-CE2 3.98Å; R137-F487 HydrophobicContact CG-CZ 3.71Å; Y138-F487 HydrophobicContact CD2-CE2 4.28Å; Y138-F487 HydrophobicContact CD2-CZ 4.5Å; R141-F487 HydrophobicContact CB-CE1 4.33Å; R141-F487 HydrophobicContact CB-CZ 4Å; R141-F487 HydrophobicContact CG-CE1 4.19Å; R141-F487 HydrophobicContact CG-CZ 4.33Å; A482-F487 HydrophobicContact CB-CB 3.89Å; A482-F487 WeakPolarHBondContact CB-O 3.45Å; Y484-F487 PolarHBondContact O-N 3.36Å; A485-F487 PolarHBondContact O-N 2.95Å; A485-F487 VanDerWaalsContact O-N 3.07Å; F487-G646 WeakPolarHBondContact CD1-O 2.89Å; F487-G646 PolarHBondContact O-N 3.04Å
488S97.8Very high97.5Very high1 Ų125.1 Ų25.11%0.00712%0.12CC..SBendtrans-71.5150.7-178.570.20000112.4P428 Y484 A485 T490 H491P428-S488 WeakPolarHBondContact CB-OG 3.48Å; Y484-S488 PolarHBondContact O-N 2.88Å; A485-S488 WeakPolarHBondContact O-CB 3.47Å; A485-S488 PolarHBondContact O-N 2.72Å; A485-S488 PolarHBondContact O-OG 3.47Å; S488-T490 PolarHBondContact O-N 3.29Å; S488-H491 WeakPolarHBondContact O-CB 3.07Å; S488-H491 PolarHBondContact O-N 3Å; S488-H491 PolarHBondContact O-ND1 3.35Å
489G97.4Very high97.5Very high0 Ų025 Ų250%012%0.119CC..THydrogen-bonded Turntrans57.9-130.317200000113.6A480 H491A480-G489 VanDerWaalsContact CB-CA 3.5Å; A480-G489 VanDerWaalsContact CB-N 3.3Å; G489-H491 VanDerWaalsContact C-N 3.25Å; G489-H491 PolarHBondContact O-N 3.02Å
490T97.6Very high97.5Very high40 Ų4025 Ų2525%0.24512%0.119CC..THydrogen-bonded Turntrans-83.314-175.8580000114.4H476 S488 V492H476-T490 HydrophobicContact CB-CG2 4Å; S488-T490 PolarHBondContact O-N 3.29Å; T490-V492 PolarHBondContact O-N 3.44Å
491H97.8Very high97.4Very high102 Ų10224.8 Ų24.847%0.47212%0.118SC..  trans-75.550.8177.7-66.1115.8000114M486 S488 G489 G646M486-H491 WeakPolarHBondContact O-CB 3.48Å; S488-H491 WeakPolarHBondContact O-CB 3.07Å; S488-H491 PolarHBondContact O-N 3Å; S488-H491 PolarHBondContact O-ND1 3.35Å; G489-H491 VanDerWaalsContact C-N 3.25Å; G489-H491 PolarHBondContact O-N 3.02Å; H491-G646 VanDerWaalsContact O-CA 3.26Å; H491-G646 WeakPolarHBondContact O-CA 3.36Å
492V98Very high97.4Very high22 Ų2222.7 Ų22.713%0.13311%0.108CC..SBendtrans-94.2-179.9172.7-640000111.1T490 R494 F496 V497 G645 M653T490-V492 PolarHBondContact O-N 3.44Å; V492-R494 PolarHBondContact O-N 3.07Å; V492-F496 HydrophobicContact CB-CD1 4.14Å; V492-F496 HydrophobicContact CG1-CD1 4.44Å; V492-F496 HydrophobicContact CG2-CD1 4.01Å; V492-V497 HydrophobicContact CG2-CB 3.75Å; V492-V497 HydrophobicContact CG2-CG2 3.99Å; V492-G645 WeakPolarHBondContact CG1-O 3.29Å; V492-M653 HydrophobicContact CG1-CE 4.12Å
493E97.9Very high97.5Very high12 Ų1222.7 Ų22.76%0.05611%0.107CC..  trans-57137.6170.7-61.593.7147.300111.5M278 D495 F496 V497 D649 A650M278-E493 WeakPolarHBondContact O-CG 3.16Å; E493-D495 WeakPolarHBondContact CB-OD1 3.44Å; E493-D495 PolarHBondContact O-N 3.48Å; E493-D495 VanDerWaalsContact O-N 3.15Å; E493-F496 HydrophobicContact CB-CB 4.42Å; E493-F496 PolarHBondContact O-N 2.89Å; E493-V497 PolarHBondContact O-N 3.28Å; E493-D649 WeakPolarHBondContact OE1-CA 3.33Å; E493-A650 PolarHBondContact OE1-N 3.41Å; E493-A650 VanDerWaalsContact OE1-N 3.1Å; E493-A650 WeakPolarHBondContact OE2-CB 3.43Å; E493-A650 PolarHBondContact OE2-N 3.05Å
494R93.6Very high97.5Very high114 Ų11419.8 Ų19.843%0.439%0.092SC..THydrogen-bonded Turntrans-60.6-28.7-174.3-174.168.771.6-167.4-0.6113.5N279 V492 F496 V497 Y601 Q604N279-R494 PolarHBondContact ND2-N 3.17Å; V492-R494 PolarHBondContact O-N 3.07Å; R494-F496 VanDerWaalsContact C-N 3.28Å; R494-V497 WeakPolarHBondContact O-CG1 3.4Å; R494-Y601 HydrophobicContact CG-CD1 4.38Å; R494-Y601 HydrophobicContact CG-CE1 4.16Å; R494-Q604 HydrophobicContact CG-CB 4.34Å
495D96.6Very high97.5Very high0 Ų019.2 Ų19.20%09%0.091CC..THydrogen-bonded Turntrans-88.18.8176.661.1-33.2000112.9N279 M280 A281 E493 Y606 W610 S611N279-D495 WeakPolarHBondContact CA-OD1 3.45Å; N279-D495 VanDerWaalsContact CB-OD1 3.24Å; N279-D495 WeakPolarHBondContact CB-OD1 3.45Å; N279-D495 WeakPolarHBondContact CB-OD2 3.4Å; N279-D495 PolarHBondContact ND2-N 2.95Å; N279-D495 PolarHBondContact ND2-OD1 3.12Å; M280-D495 WeakPolarHBondContact CA-OD2 3.43Å; M280-D495 WeakPolarHBondContact CB-OD2 3.17Å; M280-D495 VanDerWaalsContact N-CG 3.32Å; M280-D495 PolarHBondContact N-OD1 2.95Å; M280-D495 PolarHBondContact N-OD2 3.43Å; A281-D495 PolarHBondContact N-OD2 3.39Å; E493-D495 WeakPolarHBondContact CB-OD1 3.44Å; E493-D495 PolarHBondContact O-N 3.48Å; E493-D495 VanDerWaalsContact O-N 3.15Å; D495-Y606 HydrophobicContact CB-CE2 4.08Å; D495-Y606 PolarHBondContact OD2-OH 2.9Å; D495-Y606 VanDerWaalsContact OD2-OH 3.09Å; D495-W610 HydrophobicContact CB-CG 4.45Å; D495-S611 PolarHBondContact O-OG 3.05Å
496F97.9Very high97.4Very high0 Ų019.1 Ų19.10%09%0.09CC..THydrogen-bonded Turntrans-122.2-21.2171.3-177.5-107.3000113V492 E493 R494 E498 A499 P500 I641 A650 M653 L654V492-F496 HydrophobicContact CB-CD1 4.14Å; V492-F496 HydrophobicContact CG1-CD1 4.44Å; V492-F496 HydrophobicContact CG2-CD1 4.01Å; E493-F496 HydrophobicContact CB-CB 4.42Å; E493-F496 PolarHBondContact O-N 2.89Å; R494-F496 VanDerWaalsContact C-N 3.28Å; F496-E498 PolarHBondContact O-N 3.23Å; F496-E498 VanDerWaalsContact O-N 3.08Å; F496-A499 HydrophobicContact CD2-CB 3.81Å; F496-A499 HydrophobicContact CE2-CB 3.83Å; F496-A499 WeakPolarHBondContact O-CB 3.37Å; F496-A499 PolarHBondContact O-N 3.43Å; F496-P500 HydrophobicContact CE1-CG 4.42Å; F496-P500 WeakPolarHBondContact O-CD 3.23Å; F496-I641 HydrophobicContact CE1-CG2 4.38Å; F496-I641 HydrophobicContact CZ-CD1 4.44Å; F496-I641 HydrophobicContact CZ-CG2 4.04Å; F496-A650 HydrophobicContact CB-CB 3.58Å; F496-A650 HydrophobicContact CD1-CB 3.63Å; F496-A650 HydrophobicContact CD2-CB 3.68Å; F496-A650 HydrophobicContact CE1-CB 4.23Å; F496-A650 HydrophobicContact CE2-CB 4.26Å; F496-A650 HydrophobicContact CG-CB 3.32Å; F496-M653 HydrophobicContact CD1-CE 3.96Å; F496-M653 HydrophobicContact CE1-CE 3.53Å; F496-M653 HydrophobicContact CZ-CE 4.32Å; F496-L654 HydrophobicContact CD2-CD1 4.17Å; F496-L654 HydrophobicContact CE2-CD1 3.82Å; F496-L654 HydrophobicContact CE2-CD2 3.96Å; F496-L654 HydrophobicContact CE2-CG 3.75Å; F496-L654 HydrophobicContact CZ-CG 4.41Å
497V96.5Very high97.4Very high11 Ų1117.7 Ų17.77%0.0678%0.083CC..THydrogen-bonded Turntrans-54.9-32.7-175.274.50000113.5H473 V492 E493 R494H473-V497 PolarHBondContact CE1-O 3.14Å; V492-V497 HydrophobicContact CG2-CB 3.75Å; V492-V497 HydrophobicContact CG2-CG2 3.99Å; E493-V497 PolarHBondContact O-N 3.28Å; R494-V497 WeakPolarHBondContact O-CG1 3.4Å
498E96.3Very high97.4Very high16 Ų1617.7 Ų17.78%0.0758%0.083CC..Hα-helixtrans-83.6-12.3178.5-57.7-58.6160.100113.7H469 H473 F496 S501 Q502 Y608H469-E498 IonicContact CE1-OE2 2.77Å; H469-E498 PolarHBondContact CE1-OE2 2.91Å; H469-E498 IonicContact NE2-OE2 3.81Å; H469-E498 PolarHBondContact NE2-OE2 2.99Å; H473-E498 IonicContact CE1-OE2 3.32Å; H473-E498 PolarHBondContact CE1-OE2 3.41Å; H473-E498 IonicContact NE2-OE1 2.89Å; H473-E498 IonicContact NE2-OE2 2.62Å; H473-E498 PolarHBondContact NE2-OE2 3.05Å; F496-E498 PolarHBondContact O-N 3.23Å; F496-E498 VanDerWaalsContact O-N 3.08Å; E498-S501 WeakPolarHBondContact CA-OG 3.32Å; E498-S501 PolarHBondContact O-N 3Å; E498-S501 PolarHBondContact O-OG 3.44Å; E498-S501 PolarHBondContact OE2-OG 3.24Å; E498-S501 VanDerWaalsContact OE2-OG 3.11Å; E498-Q502 HydrophobicContact CB-CG 4.38Å; E498-Q502 VanDerWaalsContact O-CB 3.26Å; E498-Q502 WeakPolarHBondContact O-CB 3.37Å; E498-Q502 VanDerWaalsContact O-CG 3.27Å; E498-Q502 WeakPolarHBondContact O-CG 3.36Å; E498-Q502 PolarHBondContact O-N 2.91Å; E498-Q502 PolarHBondContact O-OE1 2.76Å; E498-Y608 HydrophobicContact CG-CD1 4.01Å; E498-Y608 HydrophobicContact CG-CE1 4.02Å
499A97.8Very high97.4Very high0 Ų019 Ų190%09%0.087CC..Hα-helixtrans-66.2-43.2-176.700000112.2F496 M503 S615F496-A499 HydrophobicContact CD2-CB 3.81Å; F496-A499 HydrophobicContact CE2-CB 3.83Å; F496-A499 WeakPolarHBondContact O-CB 3.37Å; F496-A499 PolarHBondContact O-N 3.43Å; A499-M503 VanDerWaalsContact O-CB 3.3Å; A499-M503 WeakPolarHBondContact O-CB 3.18Å; A499-M503 PolarHBondContact O-N 2.62Å; A499-S615 WeakPolarHBondContact O-CB 3.22Å
500P97.9Very high97.4Very high0 Ų020.4 Ų20.40%09%0.094CC..Hα-helixtrans-56.3-48.8170.7-29.938.7000114.1F496 M503 L504 Y637 I641 L642F496-P500 HydrophobicContact CE1-CG 4.42Å; F496-P500 WeakPolarHBondContact O-CD 3.23Å; P500-M503 PolarHBondContact O-N 3.08Å; P500-L504 WeakPolarHBondContact O-CD1 3.37Å; P500-L504 WeakPolarHBondContact O-CG 3.2Å; P500-L504 PolarHBondContact O-N 3.35Å; P500-Y637 WeakPolarHBondContact CA-OH 3.37Å; P500-Y637 VanDerWaalsContact CB-OH 3.32Å; P500-Y637 WeakPolarHBondContact CB-OH 3.47Å; P500-Y637 PolarHBondContact O-OH 3.18Å; P500-I641 HydrophobicContact CG-CG2 3.89Å; P500-L642 HydrophobicContact CB-CD2 4.13Å
501S96.8Very high97.3Very high0 Ų020.3 Ų20.30%010%0.098CC..Hα-helixtrans-67.2-48-177.851.30000111.8H469 H473 E498 M503 L504 E505H469-S501 PolarHBondContact CE1-OG 2.79Å; H469-S501 PolarHBondContact NE2-OG 3.09Å; H469-S501 WeakPolarHBondContact O-CB 3.41Å; H473-S501 PolarHBondContact CE1-OG 3.38Å; H473-S501 VanDerWaalsContact CE1-OG 3.31Å; H473-S501 PolarHBondContact NE2-OG 2.93Å; E498-S501 WeakPolarHBondContact CA-OG 3.32Å; E498-S501 PolarHBondContact O-N 3Å; E498-S501 PolarHBondContact O-OG 3.44Å; E498-S501 PolarHBondContact OE2-OG 3.24Å; E498-S501 VanDerWaalsContact OE2-OG 3.11Å; S501-M503 VanDerWaalsContact C-N 3.27Å; S501-M503 PolarHBondContact O-N 3.42Å; S501-L504 WeakPolarHBondContact O-CB 3.2Å; S501-L504 PolarHBondContact O-N 3.4Å; S501-E505 PolarHBondContact O-N 3.25Å; S501-E505 VanDerWaalsContact O-N 3.16Å
502Q97.5Very high97.2Very high16 Ų1619.8 Ų19.88%0.07510%0.095CC..Hα-helixtrans-65.7-27.6177.6-69177.7-46.900113E498 L504 E505 N506 Y608 E612 S615E498-Q502 HydrophobicContact CB-CG 4.38Å; E498-Q502 VanDerWaalsContact O-CB 3.26Å; E498-Q502 WeakPolarHBondContact O-CB 3.37Å; E498-Q502 VanDerWaalsContact O-CG 3.27Å; E498-Q502 WeakPolarHBondContact O-CG 3.36Å; E498-Q502 PolarHBondContact O-N 2.91Å; E498-Q502 PolarHBondContact O-OE1 2.76Å; Q502-L504 VanDerWaalsContact C-N 3.28Å; Q502-L504 PolarHBondContact O-N 2.96Å; Q502-E505 WeakPolarHBondContact CG-OE1 3.39Å; Q502-E505 WeakPolarHBondContact O-CB 3.31Å; Q502-E505 PolarHBondContact O-N 2.85Å; Q502-N506 PolarHBondContact O-ND2 2.89Å; Q502-Y608 PolarHBondContact NE2-O 3.22Å; Q502-Y608 PolarHBondContact OE1-O 3.47Å; Q502-E612 VanDerWaalsContact OE1-CA 3.27Å; Q502-S615 WeakPolarHBondContact CB-OG 3.3Å
503M98.3Very high97.2Very high0 Ų018.8 Ų18.80%09%0.089CC..Hα-helixtrans-63.4-42.6173.4-175.8-157.167.100109.5A499 P500 S501 E505 N506 W507 M618 F619 F623 Y637A499-M503 VanDerWaalsContact O-CB 3.3Å; A499-M503 WeakPolarHBondContact O-CB 3.18Å; A499-M503 PolarHBondContact O-N 2.62Å; P500-M503 PolarHBondContact O-N 3.08Å; S501-M503 VanDerWaalsContact C-N 3.27Å; S501-M503 PolarHBondContact O-N 3.42Å; M503-E505 VanDerWaalsContact C-N 3.33Å; M503-E505 PolarHBondContact O-N 3.26Å; M503-N506 WeakPolarHBondContact O-CB 3.48Å; M503-N506 PolarHBondContact O-N 3.17Å; M503-N506 PolarHBondContact O-ND2 3.06Å; M503-W507 HydrophobicContact CE-CZ3 4.35Å; M503-M618 HydrophobicContact CG-CB 4.24Å; M503-M618 HydrophobicContact CG-CE 4.5Å; M503-M618 HydrophobicContact SD-CB 4.05Å; M503-M618 HydrophobicContact SD-CE 3.65Å; M503-F619 HydrophobicContact CG-CB 4.07Å; M503-F623 HydrophobicContact CE-CE2 3.82Å; M503-F623 HydrophobicContact CE-CZ 4.35Å; M503-F623 HydrophobicContact SD-CD2 3.93Å; M503-F623 HydrophobicContact SD-CE2 3.51Å; M503-F623 VanDerWaalsContact SD-CE2 3.51Å; M503-Y637 HydrophobicContact CE-CD1 4.04Å; M503-Y637 HydrophobicContact CE-CD2 3.75Å; M503-Y637 HydrophobicContact CE-CE1 3.65Å; M503-Y637 HydrophobicContact CE-CE2 3.35Å; M503-Y637 HydrophobicContact CE-CG 4.07Å; M503-Y637 HydrophobicContact SD-CD2 3.9Å; M503-Y637 HydrophobicContact SD-CE2 3.73Å
504L97.8Very high97.2Very high2 Ų218.2 Ų18.21%0.019%0.086CC..Hα-helixtrans-73.6-23.6-176.7-69.4157.4000112.8Y369 L372 G472 P500 S501 Q502 N506 W507 Y637Y369-L504 HydrophobicContact CE1-CD1 3.69Å; Y369-L504 HydrophobicContact CE1-CD2 3.78Å; Y369-L504 HydrophobicContact CE1-CG 4.25Å; Y369-L504 WeakPolarHBondContact OH-CB 3.31Å; Y369-L504 WeakPolarHBondContact OH-CD1 3.45Å; L372-L504 HydrophobicContact CD2-CD2 4.04Å; G472-L504 VanDerWaalsContact CA-CD1 3.48Å; P500-L504 WeakPolarHBondContact O-CD1 3.37Å; P500-L504 WeakPolarHBondContact O-CG 3.2Å; P500-L504 PolarHBondContact O-N 3.35Å; S501-L504 WeakPolarHBondContact O-CB 3.2Å; S501-L504 PolarHBondContact O-N 3.4Å; Q502-L504 VanDerWaalsContact C-N 3.28Å; Q502-L504 PolarHBondContact O-N 2.96Å; L504-N506 PolarHBondContact O-N 3.42Å; L504-N506 VanDerWaalsContact O-N 3.14Å; L504-W507 HydrophobicContact CD2-CE3 4.36Å; L504-W507 HydrophobicContact CD2-CZ3 4.27Å; L504-W507 PolarHBondContact O-N 2.9Å; L504-Y637 HydrophobicContact CD1-CE1 4.42Å
505E98.1Very high97.4Very high32 Ų3217.7 Ų17.715%0.159%0.089CC..Hα-helixtrans-53.9-30.4168.6-67.9171.8-159.700112.1E465 H469 S501 Q502 M503 W507 V508 W509E465-E505 HydrophobicContact CG-CB 4.17Å; E465-E505 HydrophobicContact CG-CG 3.94Å; H469-E505 HydrophobicContact CB-CG 4.1Å; H469-E505 IonicContact CE1-OE1 2.75Å; H469-E505 IonicContact CG-OE1 3.18Å; H469-E505 IonicContact ND1-OE1 2.74Å; H469-E505 PolarHBondContact ND1-OE1 3.28Å; S501-E505 PolarHBondContact O-N 3.25Å; S501-E505 VanDerWaalsContact O-N 3.16Å; Q502-E505 WeakPolarHBondContact CG-OE1 3.39Å; Q502-E505 WeakPolarHBondContact O-CB 3.31Å; Q502-E505 PolarHBondContact O-N 2.85Å; M503-E505 VanDerWaalsContact C-N 3.33Å; M503-E505 PolarHBondContact O-N 3.26Å; E505-W507 PolarHBondContact O-N 3.42Å; E505-V508 WeakPolarHBondContact O-CG2 3.41Å; E505-V508 PolarHBondContact O-N 2.92Å; E505-W509 VanDerWaalsContact O-CD1 3.27Å
506N97.8Very high97.4Very high1 Ų120.9 Ų20.91%0.00510%0.101CC..G310 helixtrans-57.6-27.4178.1-70.3-77.9000113.3Q502 M503 L504 V508 W509 E510 R539 F619Q502-N506 PolarHBondContact O-ND2 2.89Å; M503-N506 WeakPolarHBondContact O-CB 3.48Å; M503-N506 PolarHBondContact O-N 3.17Å; M503-N506 PolarHBondContact O-ND2 3.06Å; L504-N506 PolarHBondContact O-N 3.42Å; L504-N506 VanDerWaalsContact O-N 3.14Å; N506-V508 VanDerWaalsContact C-N 3.29Å; N506-V508 PolarHBondContact O-N 3.24Å; N506-W509 PolarHBondContact O-N 3.22Å; N506-E510 WeakPolarHBondContact O-CG 3.39Å; N506-R539 VanDerWaalsContact OD1-CZ 3.3Å; N506-R539 PolarHBondContact OD1-NH1 3.42Å; N506-R539 PolarHBondContact OD1-NH2 3.24Å; N506-F619 HydrophobicContact CB-CD1 3.76Å; N506-F619 HydrophobicContact CB-CD2 3.58Å; N506-F619 HydrophobicContact CB-CE1 3.71Å; N506-F619 HydrophobicContact CB-CE2 3.52Å; N506-F619 HydrophobicContact CB-CG 3.7Å; N506-F619 HydrophobicContact CB-CZ 3.59Å
507W98.3Very high97.4Very high3 Ų320.9 Ų20.91%0.01110%0.101CC..G310 helixtrans-63.6-34.4178.3-89.9-113000112.2L372 F468 M503 L504 E505 W509 E510 P513 F619 F623 I628 M629L372-W507 HydrophobicContact CD1-CZ2 3.88Å; L372-W507 HydrophobicContact CD2-CH2 4.11Å; L372-W507 HydrophobicContact CD2-CZ2 3.61Å; L372-W507 HydrophobicContact CG-CZ2 4.42Å; F468-W507 HydrophobicContact CD1-CB 3.96Å; F468-W507 HydrophobicContact CE1-CB 3.69Å; F468-W507 HydrophobicContact CE1-CG 4.34Å; M503-W507 HydrophobicContact CE-CZ3 4.35Å; L504-W507 HydrophobicContact CD2-CE3 4.36Å; L504-W507 HydrophobicContact CD2-CZ3 4.27Å; L504-W507 PolarHBondContact O-N 2.9Å; E505-W507 PolarHBondContact O-N 3.42Å; W507-W509 PolarHBondContact O-N 2.84Å; W507-W509 VanDerWaalsContact O-N 3.1Å; W507-E510 PolarHBondContact O-N 3.01Å; W507-P513 HydrophobicContact CB-CB 4.17Å; W507-P513 HydrophobicContact CB-CG 4.27Å; W507-P513 VanDerWaalsContact CD1-CG 3.49Å; W507-P513 HydrophobicContact CG-CB 4.41Å; W507-P513 HydrophobicContact CG-CG 4.11Å; W507-P513 VanDerWaalsContact O-CB 3.28Å; W507-P513 WeakPolarHBondContact O-CB 3.47Å; W507-F619 HydrophobicContact CE3-CD2 4.2Å; W507-F619 AromaticContact CE3-CE2 3.89Å; W507-F619 HydrophobicContact CE3-CE2 3.89Å; W507-F619 HydrophobicContact CH2-CD2 4.13Å; W507-F619 HydrophobicContact CH2-CE2 4.09Å; W507-F619 AromaticContact CZ3-CD2 3.55Å; W507-F619 HydrophobicContact CZ3-CD2 3.55Å; W507-F619 AromaticContact CZ3-CE2 3.59Å; W507-F619 HydrophobicContact CZ3-CE2 3.59Å; W507-F623 HydrophobicContact CH2-CB 4.23Å; W507-F623 AromaticContact CH2-CD1 3.58Å; W507-F623 HydrophobicContact CH2-CD1 3.58Å; W507-F623 AromaticContact CH2-CD2 3.97Å; W507-F623 HydrophobicContact CH2-CD2 3.97Å; W507-F623 AromaticContact CH2-CE1 3.85Å; W507-F623 HydrophobicContact CH2-CE1 3.85Å; W507-F623 HydrophobicContact CH2-CE2 4.19Å; W507-F623 AromaticContact CH2-CG 3.64Å; W507-F623 HydrophobicContact CH2-CG 3.64Å; W507-F623 HydrophobicContact CH2-CZ 4.12Å; W507-F623 AromaticContact CZ2-CD1 3.9Å; W507-F623 HydrophobicContact CZ2-CD1 3.9Å; W507-F623 HydrophobicContact CZ2-CE1 4.13Å; W507-F623 HydrophobicContact CZ2-CG 4.36Å; W507-I628 WeakPolarHBondContact CZ2-O 3.31Å; W507-M629 PolarHBondContact NE1-SD 3.33Å
508V97.8Very high97.5Very high0 Ų020.8 Ų20.80%010%0.101CC..G310 helixtrans-75.33.2178.1-52.20000112.8H461 V464 E465 F468 E505 N506 L514 M517H461-V508 PolarHBondContact NE2-O 3.3Å; V464-V508 HydrophobicContact CG1-CB 4.49Å; V464-V508 HydrophobicContact CG1-CG1 3.87Å; E465-V508 HydrophobicContact CB-CG2 3.74Å; E465-V508 HydrophobicContact CG-CG2 3.85Å; F468-V508 HydrophobicContact CB-CG1 3.85Å; F468-V508 HydrophobicContact CD1-CG1 4.09Å; F468-V508 HydrophobicContact CD2-CG1 3.46Å; F468-V508 VanDerWaalsContact CD2-CG1 3.46Å; F468-V508 HydrophobicContact CE2-CG1 4.1Å; F468-V508 HydrophobicContact CG-CG1 3.48Å; F468-V508 VanDerWaalsContact CG-CG1 3.48Å; E505-V508 WeakPolarHBondContact O-CG2 3.41Å; E505-V508 PolarHBondContact O-N 2.92Å; N506-V508 VanDerWaalsContact C-N 3.29Å; N506-V508 PolarHBondContact O-N 3.24Å; V508-L514 WeakPolarHBondContact O-CD1 3.24Å; V508-L514 WeakPolarHBondContact O-CD2 3.34Å; V508-M517 HydrophobicContact CG1-CE 4.17Å
509W97Very high97.5Very high27 Ų2725.1 Ų25.110%0.10212%0.116CC..G310 helixtrans-117.68.6175-61.4104000112.7H461 E465 E505 N506 W507 L535 I536 R539H461-W509 AromaticContact CE1-CD2 3.83Å; H461-W509 AromaticContact CE1-CE2 3.65Å; H461-W509 AromaticContact CE1-CE3 3.74Å; H461-W509 AromaticContact CE1-CH2 3.4Å; H461-W509 WeakPolarHBondContact CE1-CH2 3.48Å; H461-W509 AromaticContact CE1-CZ2 3.46Å; H461-W509 VanDerWaalsContact CE1-CZ2 3.46Å; H461-W509 WeakPolarHBondContact CE1-CZ2 3.15Å; H461-W509 AromaticContact CE1-CZ3 3.53Å; H461-W509 AromaticContact ND1-CH2 3.69Å; H461-W509 AromaticContact ND1-CZ2 3.97Å; E465-W509 PolarHBondContact OE1-NE1 3.24Å; E505-W509 VanDerWaalsContact O-CD1 3.27Å; N506-W509 PolarHBondContact O-N 3.22Å; W507-W509 PolarHBondContact O-N 2.84Å; W507-W509 VanDerWaalsContact O-N 3.1Å; W509-L535 HydrophobicContact CZ3-CD1 4.34Å; W509-L535 WeakPolarHBondContact CZ3-O 3.39Å; W509-I536 WeakPolarHBondContact O-CG1 3.36Å; W509-I536 WeakPolarHBondContact O-CG2 3.42Å; W509-R539 VanDerWaalsContact CD1-CZ 3.43Å; W509-R539 VanDerWaalsContact CD1-NE 3.28Å; W509-R539 HydrophobicContact CD2-CB 3.91Å; W509-R539 VanDerWaalsContact CD2-CD 3.47Å; W509-R539 HydrophobicContact CD2-CG 3.58Å; W509-R539 HydrophobicContact CE3-CB 3.49Å; W509-R539 VanDerWaalsContact CE3-CB 3.49Å; W509-R539 HydrophobicContact CE3-CG 3.73Å; W509-R539 VanDerWaalsContact CG-CD 3.42Å; W509-R539 HydrophobicContact CG-CG 4.1Å; W509-R539 HydrophobicContact CH2-CB 4.04Å; W509-R539 HydrophobicContact CH2-CG 4.09Å; W509-R539 HydrophobicContact CZ2-CB 4.42Å; W509-R539 HydrophobicContact CZ2-CG 3.97Å; W509-R539 HydrophobicContact CZ3-CB 3.55Å; W509-R539 HydrophobicContact CZ3-CG 3.98Å
510E97.2Very high97.5Very high30 Ų3026.2 Ų26.214%0.1412%0.121CC..SBendtrans-109.4141177-66.2-67.4150.300110.5N506 W507 E512 P513 L514 F619 K624 I628N506-E510 WeakPolarHBondContact O-CG 3.39Å; W507-E510 PolarHBondContact O-N 3.01Å; E510-E512 PolarHBondContact O-N 3.34Å; E510-P513 HydrophobicContact CB-CG 3.95Å; E510-P513 WeakPolarHBondContact O-CD 3.23Å; E510-L514 WeakPolarHBondContact O-CB 3.48Å; E510-L514 WeakPolarHBondContact O-CG 3.32Å; E510-L514 PolarHBondContact O-N 3.27Å; E510-L514 VanDerWaalsContact O-N 3.14Å; E510-F619 HydrophobicContact CG-CZ 4.07Å; E510-K624 IonicContact OE1-NZ 3.76Å; E510-K624 PolarHBondContact OE1-NZ 3.42Å; E510-K624 IonicContact OE2-NZ 3.17Å; E510-K624 PolarHBondContact OE2-NZ 2.91Å; E510-I628 HydrophobicContact CB-CD1 3.6Å; E510-I628 HydrophobicContact CG-CD1 3.75Å
511A96.5Very high97.5Very high39 Ų3929 Ų2932%0.32213%0.132SC..Hα-helixtrans-62.2-45.5-171.800000113.2L514 Q515 L532 I536A511-L514 PolarHBondContact O-N 2.84Å; A511-Q515 VanDerWaalsContact O-CG 3.27Å; A511-Q515 WeakPolarHBondContact O-CG 3.26Å; A511-Q515 PolarHBondContact O-N 3.39Å; A511-L532 HydrophobicContact CB-CD2 3.82Å; A511-L532 HydrophobicContact CB-CG 4.39Å; A511-I536 HydrophobicContact CB-CD1 3.9Å
512E96.1Very high97.4Very high91 Ų9136 Ų3643%0.42516%0.163SC..Hα-helixtrans-64.3-52.3-178.1170-170.5179.800112.3E510 L514 Q515 R516E510-E512 PolarHBondContact O-N 3.34Å; E512-L514 VanDerWaalsContact C-N 3.34Å; E512-L514 PolarHBondContact O-N 3.27Å; E512-Q515 PolarHBondContact O-N 2.93Å; E512-R516 PolarHBondContact O-N 3.49Å; E512-R516 VanDerWaalsContact O-N 3.13Å
513P97.6Very high97.3Very high0 Ų039 Ų390%018%0.182CC..Hα-helixtrans-58.3-43.2175.4-26.634.4000113.2L368 W507 E510 Q515 R516 M517 I628L368-P513 HydrophobicContact CD1-CB 3.88Å; L368-P513 HydrophobicContact CD2-CB 4.17Å; L368-P513 HydrophobicContact CD2-CG 4.42Å; W507-P513 HydrophobicContact CB-CB 4.17Å; W507-P513 HydrophobicContact CB-CG 4.27Å; W507-P513 VanDerWaalsContact CD1-CG 3.49Å; W507-P513 HydrophobicContact CG-CB 4.41Å; W507-P513 HydrophobicContact CG-CG 4.11Å; W507-P513 VanDerWaalsContact O-CB 3.28Å; W507-P513 WeakPolarHBondContact O-CB 3.47Å; E510-P513 HydrophobicContact CB-CG 3.95Å; E510-P513 WeakPolarHBondContact O-CD 3.23Å; P513-Q515 VanDerWaalsContact C-N 3.3Å; P513-Q515 PolarHBondContact O-N 3.45Å; P513-R516 WeakPolarHBondContact O-CB 3.42Å; P513-R516 PolarHBondContact O-N 3.13Å; P513-R516 VanDerWaalsContact O-N 3.1Å; P513-M517 HydrophobicContact CB-CE 3.97Å; P513-M517 VanDerWaalsContact O-CE 3.31Å; P513-M517 WeakPolarHBondContact O-CE 3.1Å; P513-M517 WeakPolarHBondContact O-CG 3.28Å; P513-M517 PolarHBondContact O-N 2.92Å; P513-I628 HydrophobicContact CG-CD1 3.94Å
514L97.9Very high97.3Very high0 Ų041 Ų410%020%0.203CC..Hα-helixtrans-60.3-38.7177.7-79.4169.8000112.4F356 V508 E510 A511 E512 M517 S518 L532 L535 I536F356-L514 HydrophobicContact CE1-CD2 4.14Å; F356-L514 HydrophobicContact CZ-CD2 3.92Å; V508-L514 WeakPolarHBondContact O-CD1 3.24Å; V508-L514 WeakPolarHBondContact O-CD2 3.34Å; E510-L514 WeakPolarHBondContact O-CB 3.48Å; E510-L514 WeakPolarHBondContact O-CG 3.32Å; E510-L514 PolarHBondContact O-N 3.27Å; E510-L514 VanDerWaalsContact O-N 3.14Å; A511-L514 PolarHBondContact O-N 2.84Å; E512-L514 VanDerWaalsContact C-N 3.34Å; E512-L514 PolarHBondContact O-N 3.27Å; L514-M517 PolarHBondContact O-N 3.3Å; L514-S518 WeakPolarHBondContact O-CB 3.23Å; L514-S518 PolarHBondContact O-N 3.07Å; L514-S518 VanDerWaalsContact O-N 3.1Å; L514-S518 PolarHBondContact O-OG 3.32Å; L514-L532 HydrophobicContact CB-CD1 3.52Å; L514-L532 HydrophobicContact CD1-CD1 3.4Å; L514-L532 VanDerWaalsContact CD1-CD1 3.4Å; L514-L532 HydrophobicContact CG-CD1 4.1Å; L514-L535 HydrophobicContact CD1-CD2 3.99Å; L514-L535 HydrophobicContact CD2-CD2 4.27Å; L514-I536 HydrophobicContact CD1-CD1 4.41Å; L514-I536 HydrophobicContact CD1-CG1 4.08Å
515Q97.1Very high97.3Very high103 Ų10347.7 Ų47.748%0.48123%0.232SC..Hα-helixtrans-63.8-39.6174.1-74.9172.5-6.300112.3A511 E512 P513 M517 S518 I527 L532A511-Q515 VanDerWaalsContact O-CG 3.27Å; A511-Q515 WeakPolarHBondContact O-CG 3.26Å; A511-Q515 PolarHBondContact O-N 3.39Å; E512-Q515 PolarHBondContact O-N 2.93Å; P513-Q515 VanDerWaalsContact C-N 3.3Å; P513-Q515 PolarHBondContact O-N 3.45Å; Q515-M517 VanDerWaalsContact C-N 3.25Å; Q515-M517 PolarHBondContact O-N 3.16Å; Q515-S518 PolarHBondContact O-N 2.86Å; Q515-I527 HydrophobicContact CG-CG2 4.45Å; Q515-L532 HydrophobicContact CG-CD2 3.82Å
516R97.8Very high97.2Very high67 Ų6750.7 Ų50.725%0.25325%0.254SS..Hα-helixtrans-67.9-26.4177.5-68.9171.762164.71112.9L368 E371 E512 P513L368-R516 VanDerWaalsContact CD2-CZ 3.49Å; E371-R516 IonicContact OE2-CZ 2.95Å; E371-R516 VanDerWaalsContact OE2-CZ 3.28Å; E371-R516 IonicContact OE2-NH1 2.78Å; E371-R516 PolarHBondContact OE2-NH1 3.17Å; E371-R516 IonicContact OE2-NH2 3.78Å; E371-R516 PolarHBondContact OE2-NH2 2.73Å; E512-R516 PolarHBondContact O-N 3.49Å; E512-R516 VanDerWaalsContact O-N 3.13Å; P513-R516 WeakPolarHBondContact O-CB 3.42Å; P513-R516 PolarHBondContact O-N 3.13Å; P513-R516 VanDerWaalsContact O-N 3.1Å
517M97.8Very high97.1Very high0 Ų051 Ų510%026%0.255CS..THydrogen-bonded Turntrans-98.5-0.2-178.7-64.6-175.7-73.900114.4L368 V464 F468 V508 P513 L514 Q515L368-M517 HydrophobicContact CD1-CE 4.08Å; L368-M517 HydrophobicContact CD1-CG 3.85Å; L368-M517 HydrophobicContact CD1-SD 3.81Å; V464-M517 HydrophobicContact CG1-SD 4.48Å; F468-M517 HydrophobicContact CD2-SD 4.11Å; F468-M517 HydrophobicContact CE1-SD 4.46Å; F468-M517 HydrophobicContact CE2-CE 3.89Å; F468-M517 HydrophobicContact CE2-SD 3.03Å; F468-M517 WeakPolarHBondContact CE2-SD 3.44Å; F468-M517 HydrophobicContact CZ-CE 3.85Å; F468-M517 HydrophobicContact CZ-SD 3.25Å; F468-M517 WeakPolarHBondContact CZ-SD 3.41Å; V508-M517 HydrophobicContact CG1-CE 4.17Å; P513-M517 HydrophobicContact CB-CE 3.97Å; P513-M517 VanDerWaalsContact O-CE 3.31Å; P513-M517 WeakPolarHBondContact O-CE 3.1Å; P513-M517 WeakPolarHBondContact O-CG 3.28Å; P513-M517 PolarHBondContact O-N 2.92Å; L514-M517 PolarHBondContact O-N 3.3Å; Q515-M517 VanDerWaalsContact C-N 3.25Å; Q515-M517 PolarHBondContact O-N 3.16Å
518S97.7Very high96.9Very high9 Ų953.9 Ų53.96%0.06328%0.275CS..  trans-121.7137.4-174.461.50000113F355 L514 Q515 I527F355-S518 CarbonylContact O-C 3.6Å; F355-S518 WeakPolarHBondContact O-CA 3.47Å; F355-S518 WeakPolarHBondContact O-CB 3.32Å; L514-S518 WeakPolarHBondContact O-CB 3.23Å; L514-S518 PolarHBondContact O-N 3.07Å; L514-S518 VanDerWaalsContact O-N 3.1Å; L514-S518 PolarHBondContact O-OG 3.32Å; Q515-S518 PolarHBondContact O-N 2.86Å; S518-I527 VanDerWaalsContact OG-CG2 3.28Å; S518-I527 WeakPolarHBondContact OG-CG2 3.42Å
519R97.8Very high96.7Very high107 Ų10757.4 Ų57.440%0.40430%0.304SS..  trans-162.9127.4172-170.8174.765.7-169.83.8109.4F355 P357 V360 Y521 G524F355-R519 CarbonylContact O-C 3.56Å; F355-R519 PolarHBondContact O-N 3.49Å; P357-R519 WeakPolarHBondContact CD-O 3.47Å; P357-R519 WeakPolarHBondContact CG-O 3.29Å; V360-R519 HydrophobicContact CG1-CB 3.87Å; V360-R519 HydrophobicContact CG2-CB 4.19Å; R519-Y521 PolarHBondContact O-N 3.19Å; R519-G524 VanDerWaalsContact CG-O 3.27Å; R519-G524 WeakPolarHBondContact CG-O 3.41Å
520H97.7Very high96.5Very high23 Ų2362.2 Ų62.211%0.10633%0.328CS..  trans-57.6127.2-179.5-170.9-55.9000111.5E354 F355 K522 T523 G524 K525E354-H520 CarbonylContact O-C 3.57Å; E354-H520 WeakPolarHBondContact O-CA 3.23Å; E354-H520 IonicContact OE2-CE1 2.67Å; E354-H520 IonicContact OE2-NE2 2.7Å; E354-H520 PolarHBondContact OE2-NE2 3.45Å; F355-H520 HydrophobicContact CD1-CB 3.83Å; F355-H520 HydrophobicContact CE1-CB 3.72Å; F355-H520 AromaticContact CE1-CD2 3.99Å; F355-H520 HydrophobicContact CZ-CB 4.41Å; F355-H520 AromaticContact CZ-CD2 3.8Å; H520-K522 PolarHBondContact ND1-N 3.43Å; H520-K522 VanDerWaalsContact ND1-N 3.13Å; H520-K522 PolarHBondContact O-N 3.21Å; H520-T523 VanDerWaalsContact CB-OG1 3.31Å; H520-T523 WeakPolarHBondContact CB-OG1 3.48Å; H520-T523 PolarHBondContact ND1-N 2.91Å; H520-G524 WeakPolarHBondContact O-CA 3.34Å; H520-G524 PolarHBondContact O-N 2.92Å; H520-K525 WeakPolarHBondContact CB-O 3.42Å; H520-K525 PolarHBondContact N-O 3.29Å
521Y96Very high96.2Very high59 Ų5961.7 Ų61.723%0.23133%0.326CS..THydrogen-bonded Turntrans-59.8-42.3-172.478.9-72.7000114.5E354 A455 P456 L458 R519E354-Y521 HydrophobicContact CB-CD1 3.88Å; E354-Y521 HydrophobicContact CB-CE1 3.88Å; E354-Y521 HydrophobicContact CG-CD1 4.37Å; E354-Y521 HydrophobicContact CG-CE1 3.89Å; E354-Y521 WeakPolarHBondContact O-CD1 3.27Å; E354-Y521 PolarHBondContact O-N 2.89Å; A455-Y521 HydrophobicContact CB-CE2 4.38Å; P456-Y521 VanDerWaalsContact CD-CD2 3.46Å; P456-Y521 HydrophobicContact CG-CD2 3.78Å; P456-Y521 HydrophobicContact CG-CG 4.21Å; L458-Y521 HydrophobicContact CD1-CD1 4.43Å; L458-Y521 HydrophobicContact CD1-CE1 4.4Å; L458-Y521 HydrophobicContact CD2-CD1 4.32Å; L458-Y521 HydrophobicContact CD2-CG 4.13Å; R519-Y521 PolarHBondContact O-N 3.19Å
522K94.9Very high96Very high147 Ų14760.1 Ų60.164%0.63931%0.312SS*.THydrogen-bonded Turntrans-81.6-49.8175.8-71.4171.1171.7160.60114.6H520H520-K522 PolarHBondContact ND1-N 3.43Å; H520-K522 VanDerWaalsContact ND1-N 3.13Å; H520-K522 PolarHBondContact O-N 3.21Å
523T97.1Very high95.9Very high78 Ų7859.2 Ų59.248%0.47931%0.31SS..THydrogen-bonded Turntrans-92.8-14.7-166.6670000113.7H520 K525H520-T523 VanDerWaalsContact CB-OG1 3.31Å; H520-T523 WeakPolarHBondContact CB-OG1 3.48Å; H520-T523 PolarHBondContact ND1-N 2.91Å; T523-K525 PolarHBondContact O-N 3.44Å; T523-K525 VanDerWaalsContact O-N 3.16Å; T523-K525 PolarHBondContact OG1-N 2.92Å
524G96.6Very high95.6Very high42 Ų4262 Ų6243%0.43332%0.322SS..  trans69.52.1-174.700000114.6R519 H520R519-G524 VanDerWaalsContact CG-O 3.27Å; R519-G524 WeakPolarHBondContact CG-O 3.41Å; H520-G524 WeakPolarHBondContact O-CA 3.34Å; H520-G524 PolarHBondContact O-N 2.92Å
525K97.6Very high95.3Very high143 Ų14362 Ų6262%0.62232%0.322SS*.PPolyproline II helixtrans-71.4148.4-178.6-68.7-178.6178.2-179.10111.7H520 T523H520-K525 WeakPolarHBondContact CB-O 3.42Å; H520-K525 PolarHBondContact N-O 3.29Å; T523-K525 PolarHBondContact O-N 3.44Å; T523-K525 VanDerWaalsContact O-N 3.16Å; T523-K525 PolarHBondContact OG1-N 2.92Å
526P96.8Very high95.1Very high95 Ų9559.6 Ų59.662%0.61731%0.312SS*.PPolyproline II helixtrans-68.6161.3172.830.9-35.8000111.3F355F355-P526 WeakPolarHBondContact CE1-O 3.3Å
527I94.9Very high94.8Very high7 Ų761.7 Ų61.74%0.03632%0.323CS..PPolyproline II helixtrans-59131.8171.5-169171.4000110.3L352 F355 Q515 S518 A529 L531 L532L352-I527 HydrophobicContact CD1-CD1 3.56Å; F355-I527 HydrophobicContact CD1-CB 4.04Å; F355-I527 HydrophobicContact CD1-CG1 4.49Å; F355-I527 HydrophobicContact CG-CB 4.28Å; F355-I527 HydrophobicContact CG-CG1 4.37Å; Q515-I527 HydrophobicContact CG-CG2 4.45Å; S518-I527 VanDerWaalsContact OG-CG2 3.28Å; S518-I527 WeakPolarHBondContact OG-CG2 3.42Å; I527-A529 PolarHBondContact O-N 3.2Å; I527-L531 HydrophobicContact CD1-CD2 4.29Å; I527-L531 HydrophobicContact CD1-CG 4.25Å; I527-L531 HydrophobicContact CG1-CB 4.31Å; I527-L531 HydrophobicContact CG1-CD2 4.08Å; I527-L531 HydrophobicContact CG1-CG 4.27Å; I527-L532 HydrophobicContact CD1-CB 4.46Å; I527-L532 HydrophobicContact CD1-CD1 4.46Å; I527-L532 HydrophobicContact CG2-CB 4.37Å; I527-L532 HydrophobicContact CG2-CD1 4.42Å; I527-L532 HydrophobicContact CG2-CD2 4.41Å
528P94.8Very high94.5Very high64 Ų6462.3 Ų62.342%0.41633%0.327SS..PPolyproline II helixtrans-60.3137.5176-24.834.5000111.6F355 E530 L531 L532F355-P528 HydrophobicContact CZ-CG 4.38Å; P528-E530 PolarHBondContact O-N 3.48Å; P528-L531 HydrophobicContact CB-CB 4.28Å; P528-L531 PolarHBondContact O-N 3.3Å; P528-L532 PolarHBondContact O-N 3.35Å
529A93.8Very high94.2Very high75 Ų7564.7 Ų64.762%0.6234%0.335SS*.Hα-helixtrans-56.6-35.8-179.200000113I527 L532 D533I527-A529 PolarHBondContact O-N 3.2Å; A529-L532 PolarHBondContact O-N 2.92Å; A529-D533 WeakPolarHBondContact O-CB 3.42Å; A529-D533 PolarHBondContact O-N 3.37Å
530E92.3Very high93.7Very high128 Ų12863 Ų6360%0.59833%0.334SS*.Hα-helixtrans-65.7-40.8175.9-170.1-169.7157.700112.4P528 L532 K534P528-E530 PolarHBondContact O-N 3.48Å; E530-L532 VanDerWaalsContact C-N 3.34Å; E530-K534 WeakPolarHBondContact O-CG 3.42Å; E530-K534 PolarHBondContact O-N 3Å; E530-K534 VanDerWaalsContact O-N 3.12Å; E530-K534 WeakPolarHBondContact OE1-CE 3.37Å; E530-K534 IonicContact OE1-NZ 3.62Å; E530-K534 PolarHBondContact OE1-NZ 3.18Å
531L91.4Very high93.3Very high18 Ų1862.5 Ų62.59%0.09433%0.333CS..Hα-helixtrans-68.3-38.1177.2-178.758.8000110.8L351 L352 F355 I527 P528 K534 L535L351-L531 HydrophobicContact CD2-CD2 4.3Å; L351-L531 HydrophobicContact CG-CD2 4.34Å; L352-L531 HydrophobicContact CD1-CD2 4.05Å; L352-L531 HydrophobicContact CD1-CG 4.16Å; F355-L531 HydrophobicContact CD2-CD2 4.44Å; F355-L531 HydrophobicContact CE2-CD2 4.19Å; I527-L531 HydrophobicContact CD1-CD2 4.29Å; I527-L531 HydrophobicContact CD1-CG 4.25Å; I527-L531 HydrophobicContact CG1-CB 4.31Å; I527-L531 HydrophobicContact CG1-CD2 4.08Å; I527-L531 HydrophobicContact CG1-CG 4.27Å; P528-L531 HydrophobicContact CB-CB 4.28Å; P528-L531 PolarHBondContact O-N 3.3Å; L531-K534 PolarHBondContact O-N 3.26Å; L531-L535 WeakPolarHBondContact O-CB 3.06Å; L531-L535 PolarHBondContact O-N 3.16Å
532L93.2Very high93.1Very high6 Ų660 Ų603%0.03132%0.323CS..Hα-helixtrans-63.8-46.4176-17762.3000112.3A511 L514 Q515 I527 P528 A529 E530 K534 L535 I536A511-L532 HydrophobicContact CB-CD2 3.82Å; A511-L532 HydrophobicContact CB-CG 4.39Å; L514-L532 HydrophobicContact CB-CD1 3.52Å; L514-L532 HydrophobicContact CD1-CD1 3.4Å; L514-L532 VanDerWaalsContact CD1-CD1 3.4Å; L514-L532 HydrophobicContact CG-CD1 4.1Å; Q515-L532 HydrophobicContact CG-CD2 3.82Å; I527-L532 HydrophobicContact CD1-CB 4.46Å; I527-L532 HydrophobicContact CD1-CD1 4.46Å; I527-L532 HydrophobicContact CG2-CB 4.37Å; I527-L532 HydrophobicContact CG2-CD1 4.42Å; I527-L532 HydrophobicContact CG2-CD2 4.41Å; P528-L532 PolarHBondContact O-N 3.35Å; A529-L532 PolarHBondContact O-N 2.92Å; E530-L532 VanDerWaalsContact C-N 3.34Å; L532-K534 VanDerWaalsContact C-N 3.34Å; L532-K534 PolarHBondContact O-N 3.47Å; L532-L535 PolarHBondContact O-N 3.42Å; L532-I536 HydrophobicContact CD1-CD1 4.24Å; L532-I536 HydrophobicContact CG-CD1 4.12Å; L532-I536 WeakPolarHBondContact O-CG1 3.14Å; L532-I536 PolarHBondContact O-N 3.39Å
533D92.5Very high93Very high72 Ų7253.4 Ų53.439%0.38530%0.296SS..Hα-helixtrans-61.4-41.5176.4174.770.7000111.9A529 I536 K537A529-D533 WeakPolarHBondContact O-CB 3.42Å; A529-D533 PolarHBondContact O-N 3.37Å; D533-I536 PolarHBondContact O-N 2.9Å; D533-K537 VanDerWaalsContact CG-NZ 3.31Å; D533-K537 WeakPolarHBondContact O-CB 3.31Å; D533-K537 WeakPolarHBondContact O-CG 3.22Å; D533-K537 PolarHBondContact O-N 3.48Å; D533-K537 WeakPolarHBondContact OD1-CE 3.41Å; D533-K537 IonicContact OD1-NZ 2.67Å; D533-K537 PolarHBondContact OD1-NZ 3.35Å; D533-K537 WeakPolarHBondContact OD2-CE 3.46Å; D533-K537 IonicContact OD2-NZ 2.69Å; D533-K537 PolarHBondContact OD2-NZ 2.86Å
534K91.9Very high92.9Very high60 Ų6049.7 Ų49.726%0.26127%0.273SS..Hα-helixtrans-61.4-45.4174.4-75.8173.8-174.51700112.4Y345 A346 V347 E530 L531 L532 K537 S538Y345-K534 WeakPolarHBondContact O-CB 3.21Å; A346-K534 HydrophobicContact CB-CD 4.13Å; V347-K534 HydrophobicContact CG2-CB 4.04Å; E530-K534 WeakPolarHBondContact O-CG 3.42Å; E530-K534 PolarHBondContact O-N 3Å; E530-K534 VanDerWaalsContact O-N 3.12Å; E530-K534 WeakPolarHBondContact OE1-CE 3.37Å; E530-K534 IonicContact OE1-NZ 3.62Å; E530-K534 PolarHBondContact OE1-NZ 3.18Å; L531-K534 PolarHBondContact O-N 3.26Å; L532-K534 VanDerWaalsContact C-N 3.34Å; L532-K534 PolarHBondContact O-N 3.47Å; K534-K537 PolarHBondContact O-N 3.44Å; K534-S538 PolarHBondContact O-N 3.46Å
535L91.6Very high92.9Very high0 Ų048 Ų480%025%0.254CS..Hα-helixtrans-59.5-48.2175.9173.762.1000111.5V347 L352 H461 W509 L514 L531 L532 K537 S538V347-L535 HydrophobicContact CG1-CD1 4.43Å; L352-L535 HydrophobicContact CD1-CD2 4.21Å; L352-L535 HydrophobicContact CD2-CD1 3.77Å; L352-L535 HydrophobicContact CD2-CD2 4.02Å; L352-L535 HydrophobicContact CD2-CG 4.4Å; H461-L535 HydrophobicContact CB-CD1 4.24Å; W509-L535 HydrophobicContact CZ3-CD1 4.34Å; W509-L535 WeakPolarHBondContact CZ3-O 3.39Å; L514-L535 HydrophobicContact CD1-CD2 3.99Å; L514-L535 HydrophobicContact CD2-CD2 4.27Å; L531-L535 WeakPolarHBondContact O-CB 3.06Å; L531-L535 PolarHBondContact O-N 3.16Å; L532-L535 PolarHBondContact O-N 3.42Å; L535-K537 VanDerWaalsContact C-N 3.32Å; L535-K537 PolarHBondContact O-N 3.38Å; L535-S538 PolarHBondContact O-N 2.89Å; L535-S538 VanDerWaalsContact O-N 3.13Å; L535-S538 PolarHBondContact O-OG 3.45Å
536I93.2Very high92.8Very high51 Ų5146 Ų4626%0.26225%0.246SC..Hα-helixtrans-62.8-42.6-179.3-66.7169.5000110.6W509 A511 L514 L532 D533 S538 R539W509-I536 WeakPolarHBondContact O-CG1 3.36Å; W509-I536 WeakPolarHBondContact O-CG2 3.42Å; A511-I536 HydrophobicContact CB-CD1 3.9Å; L514-I536 HydrophobicContact CD1-CD1 4.41Å; L514-I536 HydrophobicContact CD1-CG1 4.08Å; L532-I536 HydrophobicContact CD1-CD1 4.24Å; L532-I536 HydrophobicContact CG-CD1 4.12Å; L532-I536 WeakPolarHBondContact O-CG1 3.14Å; L532-I536 PolarHBondContact O-N 3.39Å; D533-I536 PolarHBondContact O-N 2.9Å; I536-S538 VanDerWaalsContact C-N 3.27Å; I536-S538 PolarHBondContact O-N 3.48Å; I536-R539 VanDerWaalsContact O-CB 3.28Å; I536-R539 WeakPolarHBondContact O-CB 3.19Å; I536-R539 PolarHBondContact O-N 3Å
537K91.4Very high92.7Very high112 Ų11241.5 Ų41.549%0.48722%0.216SC..Hα-helixtrans-64-31.9176.1-74.3170.8179.3166.30112.7Y345 D533 K534 L535 R539 L540Y345-K537 HydrophobicContact CD1-CB 4.15Å; Y345-K537 HydrophobicContact CE1-CB 4.4Å; Y345-K537 WeakPolarHBondContact CE1-O 3.41Å; D533-K537 VanDerWaalsContact CG-NZ 3.31Å; D533-K537 WeakPolarHBondContact O-CB 3.31Å; D533-K537 WeakPolarHBondContact O-CG 3.22Å; D533-K537 PolarHBondContact O-N 3.48Å; D533-K537 WeakPolarHBondContact OD1-CE 3.41Å; D533-K537 IonicContact OD1-NZ 2.67Å; D533-K537 PolarHBondContact OD1-NZ 3.35Å; D533-K537 WeakPolarHBondContact OD2-CE 3.46Å; D533-K537 IonicContact OD2-NZ 2.69Å; D533-K537 PolarHBondContact OD2-NZ 2.86Å; K534-K537 PolarHBondContact O-N 3.44Å; L535-K537 VanDerWaalsContact C-N 3.32Å; L535-K537 PolarHBondContact O-N 3.38Å; K537-R539 PolarHBondContact O-N 3.46Å; K537-L540 PolarHBondContact O-N 3.22Å
538S91Very high92.8Very high12 Ų1241.2 Ų41.28%0.08422%0.215CC..Hα-helixtrans-68-10.7179.176.40000113.7Y345 K534 L535 I536 L540 A541Y345-S538 VanDerWaalsContact CD1-CA 3.48Å; K534-S538 PolarHBondContact O-N 3.46Å; L535-S538 PolarHBondContact O-N 2.89Å; L535-S538 VanDerWaalsContact O-N 3.13Å; L535-S538 PolarHBondContact O-OG 3.45Å; I536-S538 VanDerWaalsContact C-N 3.27Å; I536-S538 PolarHBondContact O-N 3.48Å; S538-L540 PolarHBondContact O-N 3.39Å; S538-A541 WeakPolarHBondContact O-CB 3.49Å; S538-A541 PolarHBondContact O-N 3.5Å
539R90.7Very high93Very high59 Ų5941.5 Ų41.522%0.22321%0.208CC..THydrogen-bonded Turntrans-54.6-33.1173.3-165.2178.1-169.7-172.2-4.1113.5N506 W509 I536 K537 A541N506-R539 VanDerWaalsContact OD1-CZ 3.3Å; N506-R539 PolarHBondContact OD1-NH1 3.42Å; N506-R539 PolarHBondContact OD1-NH2 3.24Å; W509-R539 VanDerWaalsContact CD1-CZ 3.43Å; W509-R539 VanDerWaalsContact CD1-NE 3.28Å; W509-R539 HydrophobicContact CD2-CB 3.91Å; W509-R539 VanDerWaalsContact CD2-CD 3.47Å; W509-R539 HydrophobicContact CD2-CG 3.58Å; W509-R539 HydrophobicContact CE3-CB 3.49Å; W509-R539 VanDerWaalsContact CE3-CB 3.49Å; W509-R539 HydrophobicContact CE3-CG 3.73Å; W509-R539 VanDerWaalsContact CG-CD 3.42Å; W509-R539 HydrophobicContact CG-CG 4.1Å; W509-R539 HydrophobicContact CH2-CB 4.04Å; W509-R539 HydrophobicContact CH2-CG 4.09Å; W509-R539 HydrophobicContact CZ2-CB 4.42Å; W509-R539 HydrophobicContact CZ2-CG 3.97Å; W509-R539 HydrophobicContact CZ3-CB 3.55Å; W509-R539 HydrophobicContact CZ3-CG 3.98Å; I536-R539 VanDerWaalsContact O-CB 3.28Å; I536-R539 WeakPolarHBondContact O-CB 3.19Å; I536-R539 PolarHBondContact O-N 3Å; K537-R539 PolarHBondContact O-N 3.46Å; R539-A541 VanDerWaalsContact C-N 3.29Å
540L88.4Confident93.2Very high73 Ų7339.3 Ų39.338%0.38218%0.184SC..THydrogen-bonded Turntrans-81.4-10.4179.1-65.1178.4000112.8K537 S538 N542 T543 S670K537-L540 PolarHBondContact O-N 3.22Å; S538-L540 PolarHBondContact O-N 3.39Å; L540-N542 PolarHBondContact O-N 3.12Å; L540-T543 PolarHBondContact O-N 3.34Å; L540-S670 WeakPolarHBondContact CD2-O 3.47Å
541A88.5Confident93.5Very high12 Ų1233.2 Ų33.210%0.09916%0.156CC..THydrogen-bonded Turntrans-60.7126.7179.400000110.2V340 E341 Y345 S538 R539 T543V340-A541 HydrophobicContact CG1-CB 4.42Å; E341-A541 HydrophobicContact CG-CB 3.75Å; Y345-A541 HydrophobicContact CD2-CB 3.73Å; Y345-A541 HydrophobicContact CE2-CB 3.34Å; S538-A541 WeakPolarHBondContact O-CB 3.49Å; S538-A541 PolarHBondContact O-N 3.5Å; R539-A541 VanDerWaalsContact C-N 3.29Å; A541-T543 PolarHBondContact O-N 3.33Å
542N92.5Very high93.8Very high5 Ų532.3 Ų32.33%0.02715%0.151CC..THydrogen-bonded Turntrans61.315.2172.9-43.3-62000114.8E305 M337 E341 L540 G544 L545 F546E305-N542 VanDerWaalsContact OE1-C 3.3Å; E305-N542 WeakPolarHBondContact OE1-CA 3.43Å; E305-N542 VanDerWaalsContact OE2-C 3.24Å; E305-N542 WeakPolarHBondContact OE2-CA 3.5Å; M337-N542 HydrophobicContact CB-CB 4.27Å; M337-N542 HydrophobicContact CE-CB 3.47Å; M337-N542 VanDerWaalsContact CE-CB 3.47Å; M337-N542 HydrophobicContact CG-CB 3.94Å; M337-N542 PolarHBondContact O-ND2 3.08Å; E341-N542 PolarHBondContact OE1-ND2 2.73Å; E341-N542 VanDerWaalsContact OE1-ND2 3.11Å; L540-N542 PolarHBondContact O-N 3.12Å; N542-G544 VanDerWaalsContact C-N 3.28Å; N542-G544 PolarHBondContact O-N 3.03Å; N542-L545 PolarHBondContact O-N 2.72Å; N542-F546 VanDerWaalsContact O-CB 3.29Å; N542-F546 WeakPolarHBondContact O-CB 3.38Å; N542-F546 PolarHBondContact O-N 3.26Å
543T92.6Very high94.1Very high10 Ų1032.2 Ų32.26%0.06115%0.151CC..Hα-helixtrans-68.6-29.8-172.4-155.70000111.6L301 E305 L540 A541 N547 K671L301-T543 HydrophobicContact CD2-CG2 3.71Å; E305-T543 PolarHBondContact OE1-N 3Å; E305-T543 VanDerWaalsContact OE1-N 3.08Å; L540-T543 PolarHBondContact O-N 3.34Å; A541-T543 PolarHBondContact O-N 3.33Å; T543-N547 VanDerWaalsContact O-CB 3.31Å; T543-N547 WeakPolarHBondContact O-CB 3.48Å; T543-N547 PolarHBondContact O-N 2.9Å; T543-N547 PolarHBondContact O-ND2 3.17Å; T543-N547 PolarHBondContact OG1-ND2 2.66Å; T543-K671 HydrophobicContact CG2-CB 4.17Å; T543-K671 HydrophobicContact CG2-CD 4.12Å; T543-K671 WeakPolarHBondContact OG1-CD 3.36Å
544G94.9Very high94.3Very high0 Ų028.8 Ų28.80%013%0.132CC..Hα-helixtrans-61.8-56.6173.600000112E305 N542 N547 L548E305-G544 PolarHBondContact OE1-N 2.73Å; E305-G544 WeakPolarHBondContact OE2-CA 3.37Å; E305-G544 PolarHBondContact OE2-N 3.35Å; N542-G544 VanDerWaalsContact C-N 3.28Å; N542-G544 PolarHBondContact O-N 3.03Å; G544-N547 PolarHBondContact O-N 3.24Å; G544-L548 WeakPolarHBondContact O-CB 3.5Å; G544-L548 VanDerWaalsContact O-CG 3.22Å; G544-L548 WeakPolarHBondContact O-CG 3.25Å; G544-L548 PolarHBondContact O-N 3.22Å
545L96.4Very high94.7Very high5 Ų527.8 Ų27.83%0.02613%0.128CC..Hα-helixtrans-67.6-36.9-178.7-68.1174000112.8E305 R306 L309 N542 R549 L580 I582E305-L545 HydrophobicContact CB-CD1 3.74Å; E305-L545 HydrophobicContact CB-CG 3.87Å; E305-L545 WeakPolarHBondContact OE2-CG 3.39Å; E305-L545 PolarHBondContact OE2-N 3.43Å; R306-L545 HydrophobicContact CG-CD1 4.15Å; R306-L545 HydrophobicContact CG-CD2 3.59Å; R306-L545 HydrophobicContact CG-CG 4.46Å; L309-L545 HydrophobicContact CD1-CD1 3.61Å; L309-L545 HydrophobicContact CG-CD1 4.22Å; N542-L545 PolarHBondContact O-N 2.72Å; L545-R549 WeakPolarHBondContact O-CB 3.44Å; L545-R549 PolarHBondContact O-N 2.82Å; L545-L580 HydrophobicContact CB-CD1 4.39Å; L545-L580 HydrophobicContact CD2-CD1 3.94Å; L545-L580 WeakPolarHBondContact O-CD1 3.45Å; L545-I582 HydrophobicContact CD2-CD1 4.33Å
546F95.1Very high95Very high102 Ų10227.8 Ų27.845%0.44713%0.128SC..Hα-helixtrans-58.7-52.7173.5177.6-95.7000110.9M337 N542 R549 Q550M337-F546 HydrophobicContact CE-CB 4.45Å; N542-F546 VanDerWaalsContact O-CB 3.29Å; N542-F546 WeakPolarHBondContact O-CB 3.38Å; N542-F546 PolarHBondContact O-N 3.26Å; F546-R549 WeakPolarHBondContact O-CB 3.32Å; F546-R549 PolarHBondContact O-N 2.68Å; F546-Q550 HydrophobicContact CD1-CG 4.46Å; F546-Q550 HydrophobicContact CE1-CG 4.1Å; F546-Q550 HydrophobicContact CZ-CG 4.34Å; F546-Q550 WeakPolarHBondContact O-CG 3.44Å; F546-Q550 PolarHBondContact O-N 3.11Å; F546-Q550 VanDerWaalsContact O-N 3.12Å
547N95.4Very high95.3Very high0 Ų025.4 Ų25.40%012%0.116CC..Hα-helixtrans-68.4-39.2-178.8-78.8-76.8000112.6L298 T543 G544 R549 Q550 I551 L609L298-N547 HydrophobicContact CD1-CB 3.54Å; T543-N547 VanDerWaalsContact O-CB 3.31Å; T543-N547 WeakPolarHBondContact O-CB 3.48Å; T543-N547 PolarHBondContact O-N 2.9Å; T543-N547 PolarHBondContact O-ND2 3.17Å; T543-N547 PolarHBondContact OG1-ND2 2.66Å; G544-N547 PolarHBondContact O-N 3.24Å; N547-R549 VanDerWaalsContact C-N 3.26Å; N547-R549 PolarHBondContact O-N 2.87Å; N547-Q550 WeakPolarHBondContact O-CB 3.46Å; N547-Q550 PolarHBondContact O-N 2.88Å; N547-Q550 VanDerWaalsContact O-N 3.09Å; N547-I551 WeakPolarHBondContact O-CG1 3.37Å; N547-I551 PolarHBondContact O-N 2.76Å; N547-L609 VanDerWaalsContact OD1-CD2 3.27Å; N547-L609 WeakPolarHBondContact OD1-CD2 3.5Å
548L97.7Very high95.6Very high1 Ų120.8 Ų20.81%0.00510%0.096CC..Hα-helixtrans-60.6-36.4174.3-73.7168.6000111.8L298 G544 I551 V552 I579 L580L298-L548 HydrophobicContact CB-CD2 3.96Å; L298-L548 HydrophobicContact CB-CG 4.13Å; G544-L548 WeakPolarHBondContact O-CB 3.5Å; G544-L548 VanDerWaalsContact O-CG 3.22Å; G544-L548 WeakPolarHBondContact O-CG 3.25Å; G544-L548 PolarHBondContact O-N 3.22Å; L548-I551 HydrophobicContact CD2-CD1 4.48Å; L548-I551 PolarHBondContact O-N 3.36Å; L548-V552 WeakPolarHBondContact O-CG2 3.43Å; L548-V552 PolarHBondContact O-N 2.91Å; L548-I579 HydrophobicContact CB-CG2 4.22Å; L548-I579 HydrophobicContact CD2-CG2 3.65Å; L548-L580 HydrophobicContact CB-CD1 4.26Å
549R98.1Very high96Very high71 Ų7120.6 Ų20.627%0.26810%0.095SC..Hα-helixtrans-65.6-41.6172.7-174-177.9174.6-75.5-6.2111.8L545 F546 N547 I551 V552 L553 L580L545-R549 WeakPolarHBondContact O-CB 3.44Å; L545-R549 PolarHBondContact O-N 2.82Å; F546-R549 WeakPolarHBondContact O-CB 3.32Å; F546-R549 PolarHBondContact O-N 2.68Å; N547-R549 VanDerWaalsContact C-N 3.26Å; N547-R549 PolarHBondContact O-N 2.87Å; R549-I551 VanDerWaalsContact C-N 3.28Å; R549-I551 PolarHBondContact O-N 3.16Å; R549-V552 WeakPolarHBondContact O-CB 3.4Å; R549-V552 PolarHBondContact O-N 2.91Å; R549-L553 WeakPolarHBondContact O-CG 3.25Å; R549-L553 PolarHBondContact O-N 3.26Å; R549-L553 VanDerWaalsContact O-N 3.1Å; R549-L580 HydrophobicContact CB-CD1 4.14Å; R549-L580 HydrophobicContact CB-CD2 4.39Å; R549-L580 HydrophobicContact CG-CD2 4.45Å
550Q97.5Very high96.3Very high28 Ų2818 Ų1813%0.1319%0.086CC..Hα-helixtrans-61.2-39174.7-64.2-58.3-23.600111.6F546 N547 L553 A554 Y605 L609F546-Q550 HydrophobicContact CD1-CG 4.46Å; F546-Q550 HydrophobicContact CE1-CG 4.1Å; F546-Q550 HydrophobicContact CZ-CG 4.34Å; F546-Q550 WeakPolarHBondContact O-CG 3.44Å; F546-Q550 PolarHBondContact O-N 3.11Å; F546-Q550 VanDerWaalsContact O-N 3.12Å; N547-Q550 WeakPolarHBondContact O-CB 3.46Å; N547-Q550 PolarHBondContact O-N 2.88Å; N547-Q550 VanDerWaalsContact O-N 3.09Å; Q550-L553 PolarHBondContact O-N 3.26Å; Q550-A554 WeakPolarHBondContact O-CB 3.26Å; Q550-A554 PolarHBondContact O-N 3.23Å; Q550-Y605 PolarHBondContact OE1-OH 3.23Å; Q550-L609 HydrophobicContact CB-CD1 3.8Å; Q550-L609 HydrophobicContact CB-CD2 4.04Å; Q550-L609 HydrophobicContact CB-CG 3.98Å
551I98.4Very high96.8Very high0 Ų015 Ų150%07%0.07CC..Hα-helixtrans-63.1-42.5174.1-67.4169.9000111.3L294 L298 N547 L548 R549 L553 A554 K555 I579 L609L294-I551 HydrophobicContact CB-CD1 4.12Å; L294-I551 HydrophobicContact CD2-CD1 4.16Å; L294-I551 HydrophobicContact CD2-CG1 4.48Å; L294-I551 HydrophobicContact CG-CD1 3.99Å; L298-I551 HydrophobicContact CD1-CD1 3.88Å; N547-I551 WeakPolarHBondContact O-CG1 3.37Å; N547-I551 PolarHBondContact O-N 2.76Å; L548-I551 HydrophobicContact CD2-CD1 4.48Å; L548-I551 PolarHBondContact O-N 3.36Å; R549-I551 VanDerWaalsContact C-N 3.28Å; R549-I551 PolarHBondContact O-N 3.16Å; I551-L553 VanDerWaalsContact C-N 3.34Å; I551-L553 PolarHBondContact O-N 3.33Å; I551-A554 PolarHBondContact O-N 3.38Å; I551-K555 HydrophobicContact CG2-CD 4.25Å; I551-K555 HydrophobicContact CG2-CG 4.25Å; I551-K555 WeakPolarHBondContact O-CB 3.42Å; I551-K555 WeakPolarHBondContact O-CG 3.42Å; I551-K555 PolarHBondContact O-N 3.42Å; I551-I579 HydrophobicContact CG2-CD1 4.19Å; I551-I579 HydrophobicContact CG2-CG2 4.2Å; I551-L609 HydrophobicContact CG1-CD1 3.57Å
552V98.7Very high97.3Very high0 Ų016.9 Ų16.90%08%0.08CC..Hα-helixtrans-56.5-49.6174.9167.40000110.6L548 R549 A554 K555 V556 Y572 L575 I579 L580L548-V552 WeakPolarHBondContact O-CG2 3.43Å; L548-V552 PolarHBondContact O-N 2.91Å; R549-V552 WeakPolarHBondContact O-CB 3.4Å; R549-V552 PolarHBondContact O-N 2.91Å; V552-A554 PolarHBondContact O-N 3.38Å; V552-K555 PolarHBondContact O-N 2.83Å; V552-V556 WeakPolarHBondContact O-CG2 3.46Å; V552-V556 PolarHBondContact O-N 2.78Å; V552-Y572 HydrophobicContact CG1-CD2 3.95Å; V552-Y572 HydrophobicContact CG1-CE2 3.96Å; V552-L575 HydrophobicContact CG1-CB 3.91Å; V552-L575 HydrophobicContact CG2-CB 4.3Å; V552-L575 WeakPolarHBondContact CG2-O 3.39Å; V552-I579 HydrophobicContact CG2-CB 3.78Å; V552-I579 HydrophobicContact CG2-CD1 4.46Å; V552-I579 HydrophobicContact CG2-CG2 3.96Å; V552-L580 HydrophobicContact CG2-CB 4.2Å
553L98.7Very high97.4Very high3 Ų322.2 Ų22.22%0.01610%0.1CC..Hα-helixtrans-62.2-44.2179.4-66-179.4000112.3R549 Q550 I551 K555 V556 D557 Y572 M590 F594 Y605R549-L553 WeakPolarHBondContact O-CG 3.25Å; R549-L553 PolarHBondContact O-N 3.26Å; R549-L553 VanDerWaalsContact O-N 3.1Å; Q550-L553 PolarHBondContact O-N 3.26Å; I551-L553 VanDerWaalsContact C-N 3.34Å; I551-L553 PolarHBondContact O-N 3.33Å; L553-K555 VanDerWaalsContact C-N 3.34Å; L553-K555 PolarHBondContact O-N 3.35Å; L553-V556 PolarHBondContact O-N 3.23Å; L553-D557 WeakPolarHBondContact O-CB 3.4Å; L553-D557 PolarHBondContact O-N 3.48Å; L553-Y572 HydrophobicContact CD2-CE2 4.11Å; L553-M590 HydrophobicContact CD2-CE 3.48Å; L553-M590 VanDerWaalsContact CD2-CE 3.48Å; L553-M590 HydrophobicContact CD2-SD 3.68Å; L553-F594 HydrophobicContact CB-CE1 4.11Å; L553-F594 HydrophobicContact CB-CZ 3.91Å; L553-F594 HydrophobicContact CD1-CZ 4.35Å; L553-F594 HydrophobicContact CD2-CD1 4.5Å; L553-F594 HydrophobicContact CD2-CE1 4.08Å; L553-F594 HydrophobicContact CD2-CZ 4.21Å; L553-F594 HydrophobicContact CG-CZ 4.38Å; L553-Y605 HydrophobicContact CB-CD1 3.71Å; L553-Y605 HydrophobicContact CB-CE1 3.33Å; L553-Y605 HydrophobicContact CD1-CE1 3.81Å; L553-Y605 WeakPolarHBondContact CD1-OH 3.48Å; L553-Y605 HydrophobicContact CG-CE1 4.23Å
554A98.6Very high97.3Very high0 Ų027.6 Ų27.60%013%0.133CC..Hα-helixtrans-63.2-39.5176.600000112.1L291 Q550 I551 V552 D557 Q558 Y605L291-A554 HydrophobicContact CD1-CB 3.74Å; L291-A554 HydrophobicContact CD2-CB 3.81Å; L291-A554 HydrophobicContact CG-CB 4.46Å; Q550-A554 WeakPolarHBondContact O-CB 3.26Å; Q550-A554 PolarHBondContact O-N 3.23Å; I551-A554 PolarHBondContact O-N 3.38Å; V552-A554 PolarHBondContact O-N 3.38Å; A554-D557 PolarHBondContact O-N 3.44Å; A554-Q558 WeakPolarHBondContact O-CG 3.39Å; A554-Q558 PolarHBondContact O-N 3.34Å; A554-Y605 HydrophobicContact CB-CD1 4.16Å
555K98.7Very high97Very high39 Ų3931.7 Ų31.717%0.1718%0.175CC..Hα-helixtrans-71.3-36.3176.9-76.2-164.6178.4-169.50112.8L291 E292 I551 V552 L553 Q558 A559 L575 I579L291-K555 HydrophobicContact CB-CG 4.24Å; L291-K555 HydrophobicContact CD1-CG 3.94Å; E292-K555 IonicContact OE2-NZ 3.65Å; E292-K555 PolarHBondContact OE2-NZ 2.67Å; I551-K555 HydrophobicContact CG2-CD 4.25Å; I551-K555 HydrophobicContact CG2-CG 4.25Å; I551-K555 WeakPolarHBondContact O-CB 3.42Å; I551-K555 WeakPolarHBondContact O-CG 3.42Å; I551-K555 PolarHBondContact O-N 3.42Å; V552-K555 PolarHBondContact O-N 2.83Å; L553-K555 VanDerWaalsContact C-N 3.34Å; L553-K555 PolarHBondContact O-N 3.35Å; K555-Q558 PolarHBondContact O-N 3.11Å; K555-A559 WeakPolarHBondContact O-CB 3.37Å; K555-A559 PolarHBondContact O-N 3.47Å; K555-L575 HydrophobicContact CB-CD1 3.76Å; K555-L575 HydrophobicContact CB-CD2 4.13Å; K555-L575 HydrophobicContact CD-CD2 4.02Å; K555-I579 HydrophobicContact CD-CD1 3.55Å
556V98.7Very high96.9Very high1 Ų133.7 Ų33.71%0.00619%0.185CC..Hα-helixtrans-60.2-50.3170.9168.80000109.8V552 L553 Q558 A559 L560 Y572 L575 P591V552-V556 WeakPolarHBondContact O-CG2 3.46Å; V552-V556 PolarHBondContact O-N 2.78Å; L553-V556 PolarHBondContact O-N 3.23Å; V556-Q558 PolarHBondContact O-N 2.86Å; V556-A559 PolarHBondContact O-N 3.14Å; V556-L560 HydrophobicContact CG1-CD1 3.85Å; V556-L560 HydrophobicContact CG1-CG 4.21Å; V556-L560 VanDerWaalsContact O-CG 3.3Å; V556-L560 WeakPolarHBondContact O-CG 3.4Å; V556-L560 PolarHBondContact O-N 3.33Å; V556-Y572 HydrophobicContact CG2-CD2 4.06Å; V556-L575 HydrophobicContact CB-CD1 4.44Å; V556-L575 HydrophobicContact CG2-CD1 3.58Å; V556-P591 HydrophobicContact CG1-CG 4.4Å
557D98.8Very high97Very high1 Ų132.3 Ų32.31%0.00518%0.183CC..Hα-helixtrans-56.3-48.6177.9173.748.3000112.1L553 A554 A559 H561 L597 A603 Q604 Y605L553-D557 WeakPolarHBondContact O-CB 3.4Å; L553-D557 PolarHBondContact O-N 3.48Å; A554-D557 PolarHBondContact O-N 3.44Å; D557-A559 PolarHBondContact O-N 3.17Å; D557-H561 PolarHBondContact O-N 3.13Å; D557-H561 PolarHBondContact O-ND1 2.91Å; D557-H561 IonicContact OD1-CE1 2.62Å; D557-H561 PolarHBondContact OD1-CE1 3.39Å; D557-H561 IonicContact OD1-ND1 3.62Å; D557-H561 PolarHBondContact OD1-ND1 3.3Å; D557-L597 HydrophobicContact CB-CD2 4.09Å; D557-L597 WeakPolarHBondContact OD1-CD2 3.37Å; D557-A603 VanDerWaalsContact CG-N 3.33Å; D557-A603 WeakPolarHBondContact OD1-CA 3.28Å; D557-A603 PolarHBondContact OD1-N 3.41Å; D557-A603 WeakPolarHBondContact OD2-CA 3.31Å; D557-A603 PolarHBondContact OD2-N 3.37Å; D557-A603 VanDerWaalsContact OD2-N 3.17Å; D557-Q604 PolarHBondContact OD2-N 3.22Å; D557-Y605 PolarHBondContact OD2-N 2.88Å
558Q98.7Very high97.1Very high15 Ų1533.1 Ų33.17%0.0719%0.188CC..Hα-helixtrans-63.3-42.2175.7-69.3-58.4-68.100112.5V287 L291 A554 K555 V556 L560 H561 T562 A603V287-Q558 HydrophobicContact CG1-CG 3.82Å; L291-Q558 HydrophobicContact CD1-CG 4.33Å; A554-Q558 WeakPolarHBondContact O-CG 3.39Å; A554-Q558 PolarHBondContact O-N 3.34Å; K555-Q558 PolarHBondContact O-N 3.11Å; V556-Q558 PolarHBondContact O-N 2.86Å; Q558-L560 PolarHBondContact O-N 3.27Å; Q558-H561 CarbonylContact O-C 3.59Å; Q558-H561 PolarHBondContact O-N 3.18Å; Q558-T562 WeakPolarHBondContact O-CB 3.26Å; Q558-T562 VanDerWaalsContact O-CG2 3.27Å; Q558-T562 WeakPolarHBondContact O-CG2 3.33Å; Q558-T562 PolarHBondContact O-N 3.48Å; Q558-T562 PolarHBondContact O-OG1 2.98Å; Q558-A603 VanDerWaalsContact NE2-C 3.27Å; Q558-A603 PolarHBondContact NE2-O 3.43Å
559A98.5Very high97.1Very high8 Ų834.3 Ų34.37%0.06620%0.198CC..Hα-helixtrans-62.4-45.3-178.800000111.5K555 V556 D557 H561 T562 R563 L566 E571K555-A559 WeakPolarHBondContact O-CB 3.37Å; K555-A559 PolarHBondContact O-N 3.47Å; V556-A559 PolarHBondContact O-N 3.14Å; D557-A559 PolarHBondContact O-N 3.17Å; A559-H561 PolarHBondContact O-N 3.08Å; A559-T562 PolarHBondContact O-N 2.62Å; A559-R563 WeakPolarHBondContact O-CB 3.41Å; A559-R563 PolarHBondContact O-N 2.96Å; A559-L566 HydrophobicContact CB-CD1 4.04Å; A559-E571 HydrophobicContact CB-CG 3.98Å
560L98.4Very high97.1Very high5 Ų537.8 Ų37.83%0.02622%0.217CC..Hα-helixtrans-62.7-27.4177.7-67.7179.9000112.8L252 V256 V556 Q558 P568 L597L252-L560 HydrophobicContact CD2-CD1 4.32Å; V256-L560 WeakPolarHBondContact CG1-O 3.39Å; V256-L560 HydrophobicContact CG2-CB 4.08Å; V556-L560 HydrophobicContact CG1-CD1 3.85Å; V556-L560 HydrophobicContact CG1-CG 4.21Å; V556-L560 VanDerWaalsContact O-CG 3.3Å; V556-L560 WeakPolarHBondContact O-CG 3.4Å; V556-L560 PolarHBondContact O-N 3.33Å; Q558-L560 PolarHBondContact O-N 3.27Å; L560-P568 HydrophobicContact CD1-CB 4.34Å; L560-P568 HydrophobicContact CD2-CB 3.98Å; L560-P568 HydrophobicContact CD2-CG 3.87Å; L560-L597 HydrophobicContact CD1-CD1 3.79Å; L560-L597 HydrophobicContact CD1-CD2 4.31Å
561H98.6Very high97.1Very high8 Ų837 Ų374%0.03721%0.214CC..Hα-helixtrans-104.54.8-177.3-61.3111.3000114.6R259 H271 A272 D557 Q558 A559 A603R259-H561 PolarHBondContact NH1-NE2 2.96Å; H271-H561 HydrophobicContact CB-CB 4.34Å; H271-H561 AromaticContact CD2-CD2 3.41Å; H271-H561 PolarHBondContact CD2-CD2 2.82Å; H271-H561 VanDerWaalsContact CD2-CD2 3.41Å; H271-H561 AromaticContact CD2-CG 3.79Å; H271-H561 PolarHBondContact N-O 2.94Å; A272-H561 HydrophobicContact CB-CB 4.27Å; A272-H561 PolarHBondContact N-O 2.66Å; A272-H561 VanDerWaalsContact N-O 3.12Å; D557-H561 PolarHBondContact O-N 3.13Å; D557-H561 PolarHBondContact O-ND1 2.91Å; D557-H561 IonicContact OD1-CE1 2.62Å; D557-H561 PolarHBondContact OD1-CE1 3.39Å; D557-H561 IonicContact OD1-ND1 3.62Å; D557-H561 PolarHBondContact OD1-ND1 3.3Å; Q558-H561 CarbonylContact O-C 3.59Å; Q558-H561 PolarHBondContact O-N 3.18Å; A559-H561 PolarHBondContact O-N 3.08Å; H561-A603 HydrophobicContact CB-CB 3.83Å; H561-A603 PolarHBondContact ND1-N 3.47Å
562T98.1Very high97.1Very high52 Ų5238 Ų3832%0.31922%0.218SC..Hα-helixtrans-124.6-27.2176.756.20000114T270 A272 A284 Q558 A559T270-T562 HydrophobicContact CG2-CG2 4.38Å; A272-T562 HydrophobicContact CB-CG2 3.54Å; A284-T562 HydrophobicContact CB-CG2 4.06Å; Q558-T562 WeakPolarHBondContact O-CB 3.26Å; Q558-T562 VanDerWaalsContact O-CG2 3.27Å; Q558-T562 WeakPolarHBondContact O-CG2 3.33Å; Q558-T562 PolarHBondContact O-N 3.48Å; Q558-T562 PolarHBondContact O-OG1 2.98Å; A559-T562 PolarHBondContact O-N 2.62Å
563R95.5Very high97.1Very high118 Ų11838.3 Ų38.345%0.44522%0.221SC..SBendtrans-112.9146.8-177.1-63.3166.365.8-1602.4110.7A559 L566 E571A559-R563 WeakPolarHBondContact O-CB 3.41Å; A559-R563 PolarHBondContact O-N 2.96Å; R563-L566 HydrophobicContact CB-CD1 3.6Å; R563-L566 HydrophobicContact CB-CG 4.04Å; R563-L566 HydrophobicContact CG-CD1 4.35Å; R563-L566 VanDerWaalsContact CZ-CD2 3.45Å; R563-L566 VanDerWaalsContact NH2-CD2 3.32Å; R563-E571 IonicContact NH1-OE1 3.99Å; R563-E571 PolarHBondContact NH1-OE1 3.37Å; R563-E571 VanDerWaalsContact NH1-OE1 3.16Å; R563-E571 IonicContact NH1-OE2 3.8Å; R563-E571 PolarHBondContact NH1-OE2 3.34Å
564T90.1Very high97.1Very high122 Ų12241.7 Ų41.775%0.74823%0.233SC*.SBendtrans-100.5145178.655.70000111.7L566T564-L566 PolarHBondContact O-N 3.25Å
565G89.4Confident97.1Very high86 Ų8641.9 Ų41.989%0.88723%0.234SC*.SBendtrans76.915170.500000115.6
566L94.4Very high97Very high47 Ų4740.1 Ų40.125%0.24623%0.227CC..  trans-74.4142.5173.4-64.6176.4000111.6A559 R563 T564 E571A559-L566 HydrophobicContact CB-CD1 4.04Å; R563-L566 HydrophobicContact CB-CD1 3.6Å; R563-L566 HydrophobicContact CB-CG 4.04Å; R563-L566 HydrophobicContact CG-CD1 4.35Å; R563-L566 VanDerWaalsContact CZ-CD2 3.45Å; R563-L566 VanDerWaalsContact NH2-CD2 3.32Å; T564-L566 PolarHBondContact O-N 3.25Å; L566-E571 HydrophobicContact CD1-CG 4.42Å
567D96.6Very high97Very high74 Ų7447.2 Ų47.240%0.39625%0.253SS..  trans-80.4121.9158.7-177.4-86.6000109.3A569 E570 E571D567-A569 VanDerWaalsContact C-N 3.34Å; D567-A569 PolarHBondContact O-N 3.37Å; D567-A569 WeakPolarHBondContact OD1-CA 3.5Å; D567-A569 WeakPolarHBondContact OD1-CB 3.41Å; D567-A569 PolarHBondContact OD1-N 3.49Å; D567-E570 HydrophobicContact CB-CB 4.01Å; D567-E570 HydrophobicContact CB-CG 3.91Å; D567-E570 PolarHBondContact O-N 3.04Å; D567-E570 PolarHBondContact OD1-N 3.5Å; D567-E571 PolarHBondContact O-N 2.9Å; D567-E571 VanDerWaalsContact O-N 3.11Å
568P97.1Very high96.9Very high16 Ų1652.9 Ų52.910%0.10428%0.28CS..Hα-helixtrans-59.9-40.2-178.3-25.634.6000113.9L252 L560 E571 Y572 P591L252-P568 HydrophobicContact CD2-CB 3.83Å; L252-P568 HydrophobicContact CD2-CG 3.79Å; L252-P568 HydrophobicContact CG-CG 4.25Å; L560-P568 HydrophobicContact CD1-CB 4.34Å; L560-P568 HydrophobicContact CD2-CB 3.98Å; L560-P568 HydrophobicContact CD2-CG 3.87Å; P568-E571 PolarHBondContact O-N 2.91Å; P568-Y572 PolarHBondContact O-N 3.49Å; P568-P591 HydrophobicContact CB-CB 3.68Å; P568-P591 HydrophobicContact CB-CG 4Å; P568-P591 WeakPolarHBondContact O-CG 3.31Å
569A97.6Very high96.9Very high26 Ų2652.9 Ų52.922%0.21528%0.28CS..Hα-helixtrans-71.4-39.6-176.400000111.2D567 Y572 G573 N589D567-A569 VanDerWaalsContact C-N 3.34Å; D567-A569 PolarHBondContact O-N 3.37Å; D567-A569 WeakPolarHBondContact OD1-CA 3.5Å; D567-A569 WeakPolarHBondContact OD1-CB 3.41Å; D567-A569 PolarHBondContact OD1-N 3.49Å; A569-Y572 PolarHBondContact O-N 3.3Å; A569-G573 PolarHBondContact O-N 3.38Å; A569-N589 HydrophobicContact CB-CB 4.41Å
570E97.7Very high96.8Very high144 Ų14453.2 Ų53.267%0.67328%0.281SS*.Hα-helixtrans-62.4-44.5174-68.8-176177.500112D567 G573 R574D567-E570 HydrophobicContact CB-CB 4.01Å; D567-E570 HydrophobicContact CB-CG 3.91Å; D567-E570 PolarHBondContact O-N 3.04Å; D567-E570 PolarHBondContact OD1-N 3.5Å; E570-G573 PolarHBondContact O-N 3.08Å; E570-R574 VanDerWaalsContact O-CB 3.31Å; E570-R574 WeakPolarHBondContact O-CB 3.4Å; E570-R574 PolarHBondContact O-N 2.58Å
571E98.1Very high96.7Very high12 Ų1254.5 Ų54.56%0.05630%0.296CS..Hα-helixtrans-65.4-41.6178.9-176.365.2-173.600111.5A559 R563 L566 D567 P568 R574 L575A559-E571 HydrophobicContact CB-CG 3.98Å; R563-E571 IonicContact NH1-OE1 3.99Å; R563-E571 PolarHBondContact NH1-OE1 3.37Å; R563-E571 VanDerWaalsContact NH1-OE1 3.16Å; R563-E571 IonicContact NH1-OE2 3.8Å; R563-E571 PolarHBondContact NH1-OE2 3.34Å; L566-E571 HydrophobicContact CD1-CG 4.42Å; D567-E571 PolarHBondContact O-N 2.9Å; D567-E571 VanDerWaalsContact O-N 3.11Å; P568-E571 PolarHBondContact O-N 2.91Å; E571-R574 PolarHBondContact O-N 3.27Å; E571-R574 IonicContact OE1-CZ 2.77Å; E571-R574 IonicContact OE1-NE 3.37Å; E571-R574 IonicContact OE1-NH2 2.68Å; E571-R574 PolarHBondContact OE1-NH2 3.08Å; E571-R574 IonicContact OE2-CZ 2.77Å; E571-R574 IonicContact OE2-NE 3.92Å; E571-R574 PolarHBondContact OE2-NE 3.43Å; E571-R574 IonicContact OE2-NH2 3.52Å; E571-L575 HydrophobicContact CG-CD1 4.09Å; E571-L575 WeakPolarHBondContact O-CB 3.14Å; E571-L575 WeakPolarHBondContact O-CG 3.32Å; E571-L575 PolarHBondContact O-N 3.31Å
572Y98.6Very high96.6Very high22 Ų2254.4 Ų54.49%0.08630%0.295CS..Hα-helixtrans-61.1-48.4172.4175.2-105.7000111.6V552 L553 V556 P568 A569 R574 L575 C576 A584 M590 P591V552-Y572 HydrophobicContact CG1-CD2 3.95Å; V552-Y572 HydrophobicContact CG1-CE2 3.96Å; L553-Y572 HydrophobicContact CD2-CE2 4.11Å; V556-Y572 HydrophobicContact CG2-CD2 4.06Å; P568-Y572 PolarHBondContact O-N 3.49Å; A569-Y572 PolarHBondContact O-N 3.3Å; Y572-R574 VanDerWaalsContact C-N 3.3Å; Y572-R574 PolarHBondContact O-N 2.86Å; Y572-L575 PolarHBondContact O-N 3.22Å; Y572-C576 VanDerWaalsContact CE2-SG 3.54Å; Y572-C576 WeakPolarHBondContact O-CB 3.32Å; Y572-C576 PolarHBondContact O-N 3.45Å; Y572-C576 PolarHBondContact O-SG 3Å; Y572-C576 VanDerWaalsContact O-SG 3.4Å; Y572-A584 HydrophobicContact CD1-CB 3.88Å; Y572-A584 HydrophobicContact CE1-CB 3.66Å; Y572-M590 HydrophobicContact CD1-CB 3.95Å; Y572-M590 HydrophobicContact CD2-SD 4.31Å; Y572-M590 HydrophobicContact CE1-CB 3.55Å; Y572-M590 HydrophobicContact CE1-CG 4.19Å; Y572-M590 HydrophobicContact CE2-CB 4.3Å; Y572-M590 HydrophobicContact CE2-CG 4.19Å; Y572-M590 HydrophobicContact CE2-SD 3.92Å; Y572-M590 HydrophobicContact CG-CB 4.47Å; Y572-P591 HydrophobicContact CG-CG 4.34Å
573G98.3Very high96.6Very high6 Ų654 Ų546%0.06229%0.293CS..Hα-helixtrans-60.4-38.7178.200000112.9A569 E570 R577A569-G573 PolarHBondContact O-N 3.38Å; E570-G573 PolarHBondContact O-N 3.08Å; G573-R577 WeakPolarHBondContact O-CG 3.41Å; G573-R577 PolarHBondContact O-N 3.25Å; G573-R577 PolarHBondContact O-NH1 3.34Å
574R98.1Very high96.7Very high74 Ų7449.5 Ų49.528%0.27928%0.282SS..Hα-helixtrans-62.9-52.6174.9-173.2-171.672.173.54.3111.4E570 E571 Y572 C576 R577 E578E570-R574 VanDerWaalsContact O-CB 3.31Å; E570-R574 WeakPolarHBondContact O-CB 3.4Å; E570-R574 PolarHBondContact O-N 2.58Å; E571-R574 PolarHBondContact O-N 3.27Å; E571-R574 IonicContact OE1-CZ 2.77Å; E571-R574 IonicContact OE1-NE 3.37Å; E571-R574 IonicContact OE1-NH2 2.68Å; E571-R574 PolarHBondContact OE1-NH2 3.08Å; E571-R574 IonicContact OE2-CZ 2.77Å; E571-R574 IonicContact OE2-NE 3.92Å; E571-R574 PolarHBondContact OE2-NE 3.43Å; E571-R574 IonicContact OE2-NH2 3.52Å; Y572-R574 VanDerWaalsContact C-N 3.3Å; Y572-R574 PolarHBondContact O-N 2.86Å; R574-C576 PolarHBondContact O-N 2.86Å; R574-R577 PolarHBondContact O-N 3.48Å; R574-E578 WeakPolarHBondContact CG-OE1 3.35Å; R574-E578 IonicContact CZ-OE1 2.72Å; R574-E578 IonicContact CZ-OE2 3.68Å; R574-E578 IonicContact NH1-OE1 3.62Å; R574-E578 PolarHBondContact NH1-OE1 2.88Å; R574-E578 IonicContact NH1-OE2 2.73Å; R574-E578 PolarHBondContact NH1-OE2 2.86Å; R574-E578 WeakPolarHBondContact O-CG 3.37Å; R574-E578 PolarHBondContact O-N 2.95Å
575L98.4Very high96.9Very high4 Ų444.6 Ų44.62%0.02125%0.252CS..Hα-helixtrans-65.4-37.2-179.2-72.1167.6000112.5V552 K555 V556 E571 Y572 R577 E578 I579V552-L575 HydrophobicContact CG1-CB 3.91Å; V552-L575 HydrophobicContact CG2-CB 4.3Å; V552-L575 WeakPolarHBondContact CG2-O 3.39Å; K555-L575 HydrophobicContact CB-CD1 3.76Å; K555-L575 HydrophobicContact CB-CD2 4.13Å; K555-L575 HydrophobicContact CD-CD2 4.02Å; V556-L575 HydrophobicContact CB-CD1 4.44Å; V556-L575 HydrophobicContact CG2-CD1 3.58Å; E571-L575 HydrophobicContact CG-CD1 4.09Å; E571-L575 WeakPolarHBondContact O-CB 3.14Å; E571-L575 WeakPolarHBondContact O-CG 3.32Å; E571-L575 PolarHBondContact O-N 3.31Å; Y572-L575 PolarHBondContact O-N 3.22Å; L575-R577 VanDerWaalsContact C-N 3.33Å; L575-R577 PolarHBondContact O-N 3.01Å; L575-E578 PolarHBondContact O-N 3.2Å; L575-I579 HydrophobicContact CD2-CD1 3.72Å; L575-I579 WeakPolarHBondContact O-CB 3.31Å; L575-I579 PolarHBondContact O-N 3.47Å
576C98.3Very high96.9Very high2 Ų248.8 Ų48.81%0.01425%0.249CC..Iπ-helixtrans-56.6-44.9171.7-82.10000112Y572 R574 L580 G581 I582 A584Y572-C576 VanDerWaalsContact CE2-SG 3.54Å; Y572-C576 WeakPolarHBondContact O-CB 3.32Å; Y572-C576 PolarHBondContact O-N 3.45Å; Y572-C576 PolarHBondContact O-SG 3Å; Y572-C576 VanDerWaalsContact O-SG 3.4Å; R574-C576 PolarHBondContact O-N 2.86Å; C576-L580 CarbonylContact O-C 3.54Å; C576-L580 WeakPolarHBondContact O-CA 3.39Å; C576-L580 WeakPolarHBondContact O-CB 3.36Å; C576-L580 PolarHBondContact O-N 3.45Å; C576-G581 PolarHBondContact O-N 3.49Å; C576-I582 CarbonylContact C-O 3.58Å; C576-I582 WeakPolarHBondContact CB-O 3.31Å; C576-I582 PolarHBondContact O-N 3.17Å; C576-A584 HydrophobicContact CB-CB 4.49Å
577R97.4Very high96.6Very high149 Ų14953.5 Ų53.556%0.56227%0.27SS*.Iπ-helixtrans-67.7-45.9176.9-71.8-173.2-62.1-91.31.4112.6G573 R574 L575 P583G573-R577 WeakPolarHBondContact O-CG 3.41Å; G573-R577 PolarHBondContact O-N 3.25Å; G573-R577 PolarHBondContact O-NH1 3.34Å; R574-R577 PolarHBondContact O-N 3.48Å; L575-R577 VanDerWaalsContact C-N 3.33Å; L575-R577 PolarHBondContact O-N 3.01Å; R577-P583 HydrophobicContact CG-CB 4.27Å
578E97.3Very high96.6Very high121 Ų12150.7 Ų50.757%0.56526%0.255SS*.Iπ-helixtrans-74.4-36.3-173-72.7176.1-16100114R574 L575R574-E578 WeakPolarHBondContact CG-OE1 3.35Å; R574-E578 IonicContact CZ-OE1 2.72Å; R574-E578 IonicContact CZ-OE2 3.68Å; R574-E578 IonicContact NH1-OE1 3.62Å; R574-E578 PolarHBondContact NH1-OE1 2.88Å; R574-E578 IonicContact NH1-OE2 2.73Å; R574-E578 PolarHBondContact NH1-OE2 2.86Å; R574-E578 WeakPolarHBondContact O-CG 3.37Å; R574-E578 PolarHBondContact O-N 2.95Å; L575-E578 PolarHBondContact O-N 3.2Å
579I97.8Very high96.7Very high15 Ų1550.5 Ų50.58%0.07725%0.253CS..Iπ-helixtrans-107.3-54.9-170.5-60.6178.3000110.7L548 I551 V552 K555 L575L548-I579 HydrophobicContact CB-CG2 4.22Å; L548-I579 HydrophobicContact CD2-CG2 3.65Å; I551-I579 HydrophobicContact CG2-CD1 4.19Å; I551-I579 HydrophobicContact CG2-CG2 4.2Å; V552-I579 HydrophobicContact CG2-CB 3.78Å; V552-I579 HydrophobicContact CG2-CD1 4.46Å; V552-I579 HydrophobicContact CG2-CG2 3.96Å; K555-I579 HydrophobicContact CD-CD1 3.55Å; L575-I579 HydrophobicContact CD2-CD1 3.72Å; L575-I579 WeakPolarHBondContact O-CB 3.31Å; L575-I579 PolarHBondContact O-N 3.47Å
580L96.6Very high96.7Very high14 Ų1449.9 Ų49.97%0.07325%0.246CC..Iπ-helixtrans-75.9-27.3-177.9-176.662000111.9R306 L545 L548 R549 V552 C576 I582R306-L580 WeakPolarHBondContact CD-O 3.39Å; R306-L580 PolarHBondContact NH1-O 2.92Å; L545-L580 HydrophobicContact CB-CD1 4.39Å; L545-L580 HydrophobicContact CD2-CD1 3.94Å; L545-L580 WeakPolarHBondContact O-CD1 3.45Å; L548-L580 HydrophobicContact CB-CD1 4.26Å; R549-L580 HydrophobicContact CB-CD1 4.14Å; R549-L580 HydrophobicContact CB-CD2 4.39Å; R549-L580 HydrophobicContact CG-CD2 4.45Å; V552-L580 HydrophobicContact CG2-CB 4.2Å; C576-L580 CarbonylContact O-C 3.54Å; C576-L580 WeakPolarHBondContact O-CA 3.39Å; C576-L580 WeakPolarHBondContact O-CB 3.36Å; C576-L580 PolarHBondContact O-N 3.45Å; L580-I582 HydrophobicContact CD1-CD1 4.27Å; L580-I582 HydrophobicContact CD2-CB 4.17Å; L580-I582 HydrophobicContact CD2-CD1 4.4Å; L580-I582 HydrophobicContact CG-CB 4.08Å; L580-I582 HydrophobicContact CG-CD1 4Å; L580-I582 HydrophobicContact CG-CG1 4.43Å; L580-I582 PolarHBondContact O-N 2.96Å
581G97.1Very high96.8Very high33 Ų3343 Ų4334%0.3421%0.214SC..SBendtrans68.716.2-176.500000113.6R306 C576R306-G581 WeakPolarHBondContact CD-O 3.48Å; C576-G581 PolarHBondContact O-N 3.49Å
582I97.3Very high96.8Very high5 Ų542.5 Ų42.53%0.02621%0.211CC..SBendtrans-127.6119176.7-65.6151.6000106.3R306 L328 T333 L545 C576 L580R306-I582 HydrophobicContact CG-CD1 4.38Å; R306-I582 HydrophobicContact CG-CG1 4.48Å; L328-I582 HydrophobicContact CB-CG1 4.17Å; T333-I582 HydrophobicContact CG2-CD1 3.66Å; T333-I582 HydrophobicContact CG2-CG1 4.44Å; T333-I582 HydrophobicContact CG2-CG2 3.91Å; L545-I582 HydrophobicContact CD2-CD1 4.33Å; C576-I582 CarbonylContact C-O 3.58Å; C576-I582 WeakPolarHBondContact CB-O 3.31Å; C576-I582 PolarHBondContact O-N 3.17Å; L580-I582 HydrophobicContact CD1-CD1 4.27Å; L580-I582 HydrophobicContact CD2-CB 4.17Å; L580-I582 HydrophobicContact CD2-CD1 4.4Å; L580-I582 HydrophobicContact CG-CB 4.08Å; L580-I582 HydrophobicContact CG-CD1 4Å; L580-I582 HydrophobicContact CG-CG1 4.43Å; L580-I582 PolarHBondContact O-N 2.96Å
583P96.8Very high96.7Very high43 Ų4342.1 Ų42.128%0.27921%0.212SC..PPolyproline II helixtrans-67.6145.8-176.528.2-34000111.5R577R577-P583 HydrophobicContact CG-CB 4.27Å
584A97.3Very high96.7Very high25 Ų2542.2 Ų42.221%0.20721%0.21CC..PPolyproline II helixtrans-65.3142.9164.200000109.8Y572 C576Y572-A584 HydrophobicContact CD1-CB 3.88Å; Y572-A584 HydrophobicContact CE1-CB 3.66Å; C576-A584 HydrophobicContact CB-CB 4.49Å
585S95.4Very high96.4Very high19 Ų1939.6 Ų39.613%0.13321%0.207CC..PPolyproline II helixtrans-61.3141175.8-64.70000110.9E237 T588E237-S585 VanDerWaalsContact OE2-CB 3.31Å; E237-S585 WeakPolarHBondContact OE2-CB 3.01Å; E237-S585 PolarHBondContact OE2-OG 3.22Å; S585-T588 PolarHBondContact O-N 3.19Å; S585-T588 PolarHBondContact O-OG1 2.96Å
586Q89.9Confident96.2Very high174 Ų17442 Ų4281%0.81322%0.218SC*.THydrogen-bonded Turntrans-59148.4177.3-65.5-178.73.800110.2T588Q586-T588 PolarHBondContact O-N 3.31Å
587E87Confident96.1Very high146 Ų14642 Ų4268%0.68222%0.217SC*.THydrogen-bonded Turntrans63.2-3.3178-50.9-171176.100116.7K245K245-E587 WeakPolarHBondContact CE-O 3.5Å; K245-E587 PolarHBondContact NZ-O 3.22Å
588T97.6Very high95.9Very high15 Ų1535.2 Ų35.29%0.09219%0.193CC..  trans-77.5156.1171.867.50000112.1E238 N241 S585 Q586E238-T588 HydrophobicContact CG-CG2 4.44Å; N241-T588 HydrophobicContact CB-CG2 4.02Å; S585-T588 PolarHBondContact O-N 3.19Å; S585-T588 PolarHBondContact O-OG1 2.96Å; Q586-T588 PolarHBondContact O-N 3.31Å
589N98.3Very high95.2Very high11 Ų1131.6 Ų31.66%0.05919%0.188CC..  trans-135.178171.3-168.2-18.6000110.2N241 K245 S249 A569 P591 A592N241-N589 CarbonylContact O-C 3.52Å; N241-N589 VanDerWaalsContact O-C 3.22Å; N241-N589 PolarHBondContact O-N 2.87Å; K245-N589 HydrophobicContact CD-CB 4.41Å; K245-N589 HydrophobicContact CG-CB 3.97Å; S249-N589 PolarHBondContact OG-ND2 3.28Å; A569-N589 HydrophobicContact CB-CB 4.41Å; N589-P591 VanDerWaalsContact C-N 3.34Å; N589-P591 VanDerWaalsContact OD1-CD 3.25Å; N589-P591 WeakPolarHBondContact OD1-CD 3.15Å; N589-A592 HydrophobicContact CB-CB 4.05Å; N589-A592 WeakPolarHBondContact O-CB 3.27Å; N589-A592 PolarHBondContact O-N 2.92Å; N589-A592 PolarHBondContact OD1-N 3.47Å
590M98.4Very high94.6Very high14 Ų1432.6 Ų32.67%0.06920%0.202CC..G310 helixtrans-54.9-42.5177.9-173.9-82.4167.300112.9L553 Y572 A592 T593 F594L553-M590 HydrophobicContact CD2-CE 3.48Å; L553-M590 VanDerWaalsContact CD2-CE 3.48Å; L553-M590 HydrophobicContact CD2-SD 3.68Å; Y572-M590 HydrophobicContact CD1-CB 3.95Å; Y572-M590 HydrophobicContact CD2-SD 4.31Å; Y572-M590 HydrophobicContact CE1-CB 3.55Å; Y572-M590 HydrophobicContact CE1-CG 4.19Å; Y572-M590 HydrophobicContact CE2-CB 4.3Å; Y572-M590 HydrophobicContact CE2-CG 4.19Å; Y572-M590 HydrophobicContact CE2-SD 3.92Å; Y572-M590 HydrophobicContact CG-CB 4.47Å; M590-A592 PolarHBondContact O-N 3.47Å; M590-T593 CarbonylContact O-C 3.46Å; M590-T593 WeakPolarHBondContact O-CA 3.48Å; M590-T593 PolarHBondContact O-N 3.13Å; M590-T593 PolarHBondContact O-OG1 3.36Å; M590-F594 HydrophobicContact CE-CB 4.2Å; M590-F594 HydrophobicContact CE-CD2 4.16Å; M590-F594 HydrophobicContact CE-CG 4.06Å; M590-F594 PolarHBondContact O-N 3.43Å; M590-F594 HydrophobicContact SD-CB 4.29Å; M590-F594 HydrophobicContact SD-CG 4.44Å
591P98.6Very high94.4Very high0 Ų034 Ų340%021%0.207CC..G310 helixtrans-54.2-33.8173.6-29.335.3000115.2L252 V556 P568 Y572 N589 T593 F594 L597L252-P591 HydrophobicContact CD2-CB 3.87Å; V556-P591 HydrophobicContact CG1-CG 4.4Å; P568-P591 HydrophobicContact CB-CB 3.68Å; P568-P591 HydrophobicContact CB-CG 4Å; P568-P591 WeakPolarHBondContact O-CG 3.31Å; Y572-P591 HydrophobicContact CG-CG 4.34Å; N589-P591 VanDerWaalsContact C-N 3.34Å; N589-P591 VanDerWaalsContact OD1-CD 3.25Å; N589-P591 WeakPolarHBondContact OD1-CD 3.15Å; P591-T593 PolarHBondContact O-N 3.38Å; P591-F594 WeakPolarHBondContact O-CB 3.46Å; P591-F594 PolarHBondContact O-N 2.8Å; P591-F594 VanDerWaalsContact O-N 3.14Å; P591-L597 HydrophobicContact CB-CD1 4.44Å
592A98.3Very high94.4Very high0 Ų033.6 Ų33.60%020%0.197CC..G310 helixtrans-69.8-15.3175.300000113.4F175 N248 N589 M590F175-A592 WeakPolarHBondContact CZ-O 3.47Å; N248-A592 HydrophobicContact CB-CB 3.95Å; N248-A592 VanDerWaalsContact CB-O 3.23Å; N248-A592 WeakPolarHBondContact CB-O 3.2Å; N248-A592 PolarHBondContact ND2-O 3.45Å; N589-A592 HydrophobicContact CB-CB 4.05Å; N589-A592 WeakPolarHBondContact O-CB 3.27Å; N589-A592 PolarHBondContact O-N 2.92Å; N589-A592 PolarHBondContact OD1-N 3.47Å; M590-A592 PolarHBondContact O-N 3.47Å
593T97.1Very high94.5Very high15 Ų1533.3 Ų33.39%0.09220%0.196CC..G310 helixtrans-101.7-2.3173.574.20000113R243 M590 P591 G595R243-T593 HydrophobicContact CB-CG2 4.12Å; R243-T593 WeakPolarHBondContact O-CG2 3.44Å; M590-T593 CarbonylContact O-C 3.46Å; M590-T593 WeakPolarHBondContact O-CA 3.48Å; M590-T593 PolarHBondContact O-N 3.13Å; M590-T593 PolarHBondContact O-OG1 3.36Å; P591-T593 PolarHBondContact O-N 3.38Å; T593-G595 PolarHBondContact O-N 2.81Å
594F97.4Very high94.5Very high7 Ų732.4 Ų32.43%0.03119%0.188CC..  trans-85.381.5-171-166.2-169.9000111.2L553 M590 P591 H596 L597 Y605L553-F594 HydrophobicContact CB-CE1 4.11Å; L553-F594 HydrophobicContact CB-CZ 3.91Å; L553-F594 HydrophobicContact CD1-CZ 4.35Å; L553-F594 HydrophobicContact CD2-CD1 4.5Å; L553-F594 HydrophobicContact CD2-CE1 4.08Å; L553-F594 HydrophobicContact CD2-CZ 4.21Å; L553-F594 HydrophobicContact CG-CZ 4.38Å; M590-F594 HydrophobicContact CE-CB 4.2Å; M590-F594 HydrophobicContact CE-CD2 4.16Å; M590-F594 HydrophobicContact CE-CG 4.06Å; M590-F594 PolarHBondContact O-N 3.43Å; M590-F594 HydrophobicContact SD-CB 4.29Å; M590-F594 HydrophobicContact SD-CG 4.44Å; P591-F594 WeakPolarHBondContact O-CB 3.46Å; P591-F594 PolarHBondContact O-N 2.8Å; P591-F594 VanDerWaalsContact O-N 3.14Å; F594-H596 HydrophobicContact CD2-CB 3.89Å; F594-H596 AromaticContact CD2-ND1 3.75Å; F594-H596 HydrophobicContact CE2-CB 3.55Å; F594-H596 AromaticContact CE2-CG 3.64Å; F594-H596 AromaticContact CE2-ND1 3.39Å; F594-H596 WeakPolarHBondContact CE2-ND1 3.44Å; F594-H596 HydrophobicContact CZ-CB 4.09Å; F594-H596 PolarHBondContact O-N 2.98Å; F594-L597 HydrophobicContact CB-CD1 3.99Å; F594-L597 HydrophobicContact CB-CG 4.15Å; F594-L597 HydrophobicContact CD1-CD1 3.85Å; F594-L597 HydrophobicContact CD1-CD2 4.11Å; F594-L597 HydrophobicContact CD1-CG 3.7Å; F594-L597 HydrophobicContact CE1-CD2 4.34Å; F594-L597 HydrophobicContact CE1-CG 4.37Å; F594-L597 HydrophobicContact CG-CD1 4.26Å; F594-L597 HydrophobicContact CG-CG 4.04Å; F594-L597 WeakPolarHBondContact O-CB 3.35Å; F594-L597 PolarHBondContact O-N 2.89Å; F594-Y605 AromaticContact CE2-CD2 3.78Å; F594-Y605 HydrophobicContact CE2-CD2 3.78Å; F594-Y605 AromaticContact CE2-CE2 3.46Å; F594-Y605 HydrophobicContact CE2-CE2 3.46Å; F594-Y605 VanDerWaalsContact CE2-CE2 3.46Å; F594-Y605 HydrophobicContact CE2-CG 4.5Å; F594-Y605 AromaticContact CE2-CZ 3.96Å; F594-Y605 HydrophobicContact CZ-CD1 4.04Å; F594-Y605 AromaticContact CZ-CD2 3.42Å; F594-Y605 HydrophobicContact CZ-CD2 3.42Å; F594-Y605 VanDerWaalsContact CZ-CD2 3.42Å; F594-Y605 HydrophobicContact CZ-CE1 4.07Å; F594-Y605 AromaticContact CZ-CE2 3.45Å; F594-Y605 HydrophobicContact CZ-CE2 3.45Å; F594-Y605 VanDerWaalsContact CZ-CE2 3.45Å; F594-Y605 AromaticContact CZ-CG 3.71Å; F594-Y605 HydrophobicContact CZ-CG 3.71Å; F594-Y605 AromaticContact CZ-CZ 3.77Å
595G92.1Very high94.5Very high20 Ų2032.2 Ų32.221%0.20618%0.182CC..G310 helixtrans-47.9-33.9-177.300000114.8T593 L597 A598 G599T593-G595 PolarHBondContact O-N 2.81Å; G595-L597 PolarHBondContact O-N 3.43Å; G595-L597 VanDerWaalsContact O-N 3.16Å; G595-A598 CarbonylContact O-C 3.49Å; G595-A598 PolarHBondContact O-N 3.46Å; G595-G599 PolarHBondContact O-N 2.86Å
596H93.3Very high94.7Very high54 Ų5431.3 Ų31.325%0.2518%0.175CC..G310 helixtrans-55.1-33.1176.7-66.777.3000113.9F594 A598 G599 Y601 D602 Y605 Y608F594-H596 HydrophobicContact CD2-CB 3.89Å; F594-H596 AromaticContact CD2-ND1 3.75Å; F594-H596 HydrophobicContact CE2-CB 3.55Å; F594-H596 AromaticContact CE2-CG 3.64Å; F594-H596 AromaticContact CE2-ND1 3.39Å; F594-H596 WeakPolarHBondContact CE2-ND1 3.44Å; F594-H596 HydrophobicContact CZ-CB 4.09Å; F594-H596 PolarHBondContact O-N 2.98Å; H596-A598 PolarHBondContact O-N 3.17Å; H596-G599 PolarHBondContact O-N 2.96Å; H596-Y601 AromaticContact CD2-CD2 4Å; H596-Y601 AromaticContact CD2-CG 3.87Å; H596-Y601 CarbonylContact O-C 3.47Å; H596-Y601 PolarHBondContact O-N 3.34Å; H596-D602 PolarHBondContact O-N 2.87Å; H596-Y605 HydrophobicContact CB-CD2 3.84Å; H596-Y605 HydrophobicContact CB-CE2 4.22Å; H596-Y605 AromaticContact CD2-CD2 3.6Å; H596-Y605 AromaticContact CD2-CE2 3.55Å; H596-Y605 AromaticContact CE1-CE2 3.87Å; H596-Y605 AromaticContact CG-CD2 3.64Å; H596-Y605 AromaticContact CG-CE2 3.58Å; H596-Y605 AromaticContact ND1-CE2 3.8Å; H596-Y605 AromaticContact NE2-CE2 3.73Å; H596-Y608 AromaticContact CD2-CE2 3.92Å; H596-Y608 AromaticContact NE2-CE2 3.72Å; H596-Y608 AromaticContact NE2-CZ 3.93Å; H596-Y608 PolarHBondContact NE2-OH 3.46Å
597L96.6Very high95Very high1 Ų123.2 Ų23.21%0.00514%0.139CC..G310 helixtrans-66.8-15.5177.6-59.9177.8000113L252 R259 D557 L560 P591 F594 G595L252-L597 HydrophobicContact CD1-CB 4.2Å; L252-L597 HydrophobicContact CD1-CD1 3.88Å; L252-L597 HydrophobicContact CD2-CD1 3.94Å; R259-L597 VanDerWaalsContact CZ-O 3.24Å; R259-L597 PolarHBondContact NH1-O 2.76Å; R259-L597 PolarHBondContact NH2-O 3.37Å; D557-L597 HydrophobicContact CB-CD2 4.09Å; D557-L597 WeakPolarHBondContact OD1-CD2 3.37Å; L560-L597 HydrophobicContact CD1-CD1 3.79Å; L560-L597 HydrophobicContact CD1-CD2 4.31Å; P591-L597 HydrophobicContact CB-CD1 4.44Å; F594-L597 HydrophobicContact CB-CD1 3.99Å; F594-L597 HydrophobicContact CB-CG 4.15Å; F594-L597 HydrophobicContact CD1-CD1 3.85Å; F594-L597 HydrophobicContact CD1-CD2 4.11Å; F594-L597 HydrophobicContact CD1-CG 3.7Å; F594-L597 HydrophobicContact CE1-CD2 4.34Å; F594-L597 HydrophobicContact CE1-CG 4.37Å; F594-L597 HydrophobicContact CG-CD1 4.26Å; F594-L597 HydrophobicContact CG-CG 4.04Å; F594-L597 WeakPolarHBondContact O-CB 3.35Å; F594-L597 PolarHBondContact O-N 2.89Å; G595-L597 PolarHBondContact O-N 3.43Å; G595-L597 VanDerWaalsContact O-N 3.16Å
598A92.8Very high95.3Very high7 Ų719.1 Ų19.16%0.05812%0.117CC..THydrogen-bonded Turntrans-126.9-1.6179.600000113.5S172 F175 N176 L255 G595 H596S172-A598 WeakPolarHBondContact CB-O 3.24Å; F175-A598 HydrophobicContact CB-CB 3.78Å; F175-A598 HydrophobicContact CD1-CB 3.51Å; F175-A598 HydrophobicContact CE1-CB 4.22Å; F175-A598 HydrophobicContact CG-CB 3.7Å; N176-A598 PolarHBondContact ND2-O 2.77Å; N176-A598 VanDerWaalsContact ND2-O 3.11Å; L255-A598 HydrophobicContact CD1-CB 4.38Å; G595-A598 CarbonylContact O-C 3.49Å; G595-A598 PolarHBondContact O-N 3.46Å; H596-A598 PolarHBondContact O-N 3.17Å
599G83.6Confident95.2Very high45 Ų4518.6 Ų18.646%0.46411%0.114SC..THydrogen-bonded Turntrans-102.718.4-175.700000114.5G595 H596G595-G599 PolarHBondContact O-N 2.86Å; H596-G599 PolarHBondContact O-N 2.96Å
600G84.9Confident95.1Very high36 Ų3618.6 Ų18.637%0.37111%0.113SC..THydrogen-bonded Turntrans85.812.5-179.800000115.3Q604G600-Q604 PolarHBondContact O-OE1 3.37Å
601Y92.9Very high95Very high45 Ų4517.9 Ų17.918%0.17611%0.11CC..  trans-10711.5172.7-77.6-92.7000112.5R494 H596 A603 Q604 Y605 Y608R494-Y601 HydrophobicContact CG-CD1 4.38Å; R494-Y601 HydrophobicContact CG-CE1 4.16Å; H596-Y601 AromaticContact CD2-CD2 4Å; H596-Y601 AromaticContact CD2-CG 3.87Å; H596-Y601 CarbonylContact O-C 3.47Å; H596-Y601 PolarHBondContact O-N 3.34Å; Y601-A603 PolarHBondContact O-N 3.3Å; Y601-Q604 CarbonylContact O-C 3.49Å; Y601-Q604 WeakPolarHBondContact O-CA 3.44Å; Y601-Q604 PolarHBondContact O-N 3.14Å; Y601-Y605 PolarHBondContact O-N 2.95Å; Y601-Y608 HydrophobicContact CD1-CE2 4.41Å; Y601-Y608 HydrophobicContact CE1-CE2 4.3Å
602D97Very high94.9Very high23 Ų2319.2 Ų19.212%0.12312%0.116CC..THydrogen-bonded Turntrans-61.4124.1178.648-76.6000112.1R259 H271 H596 Q604R259-D602 IonicContact CZ-OD1 3.08Å; R259-D602 IonicContact CZ-OD2 2.68Å; R259-D602 VanDerWaalsContact CZ-OD2 3.27Å; R259-D602 IonicContact NE-OD2 2.91Å; R259-D602 PolarHBondContact NE-OD2 3.42Å; R259-D602 VanDerWaalsContact NH2-CB 3.31Å; R259-D602 IonicContact NH2-OD1 3.75Å; R259-D602 PolarHBondContact NH2-OD1 3.08Å; R259-D602 IonicContact NH2-OD2 3.93Å; R259-D602 PolarHBondContact NH2-OD2 3.33Å; H271-D602 IonicContact CD2-OD2 3.19Å; H271-D602 IonicContact CE1-OD2 2.82Å; H271-D602 PolarHBondContact CE1-OD2 2.94Å; H271-D602 IonicContact NE2-OD2 2.91Å; H271-D602 PolarHBondContact NE2-OD2 3.38Å; H596-D602 PolarHBondContact O-N 2.87Å; D602-Q604 PolarHBondContact O-N 3.41Å
603A98.2Very high94.7Very high0 Ų019.2 Ų19.20%012%0.116CC..THydrogen-bonded Turntrans65.614.9-168.400000115.3A272 V275 D557 Q558 H561 Y601A272-A603 HydrophobicContact CB-CB 3.88Å; V275-A603 HydrophobicContact CB-CB 4.23Å; V275-A603 HydrophobicContact CG1-CB 4.46Å; V275-A603 HydrophobicContact CG2-CB 4.36Å; D557-A603 VanDerWaalsContact CG-N 3.33Å; D557-A603 WeakPolarHBondContact OD1-CA 3.28Å; D557-A603 PolarHBondContact OD1-N 3.41Å; D557-A603 WeakPolarHBondContact OD2-CA 3.31Å; D557-A603 PolarHBondContact OD2-N 3.37Å; D557-A603 VanDerWaalsContact OD2-N 3.17Å; Q558-A603 VanDerWaalsContact NE2-C 3.27Å; Q558-A603 PolarHBondContact NE2-O 3.43Å; H561-A603 HydrophobicContact CB-CB 3.83Å; H561-A603 PolarHBondContact ND1-N 3.47Å; Y601-A603 PolarHBondContact O-N 3.3Å
604Q98.1Very high94.6Very high24 Ų2419.4 Ų19.411%0.11212%0.115CC..THydrogen-bonded Turntrans-126.84.4-176.1-51.1-171.9-80.300114V275 N279 R494 D557 G600 Y601 D602 Y606 G607V275-Q604 HydrophobicContact CG1-CG 3.28Å; N279-Q604 PolarHBondContact ND2-NE2 2.86Å; N279-Q604 PolarHBondContact OD1-NE2 3.24Å; R494-Q604 HydrophobicContact CG-CB 4.34Å; D557-Q604 PolarHBondContact OD2-N 3.22Å; G600-Q604 PolarHBondContact O-OE1 3.37Å; Y601-Q604 CarbonylContact O-C 3.49Å; Y601-Q604 WeakPolarHBondContact O-CA 3.44Å; Y601-Q604 PolarHBondContact O-N 3.14Å; D602-Q604 PolarHBondContact O-N 3.41Å; Q604-Y606 PolarHBondContact O-N 3.4Å; Q604-G607 WeakPolarHBondContact O-CA 3.46Å; Q604-G607 PolarHBondContact O-N 2.78Å
605Y97.8Very high94.5Very high20 Ų2019.1 Ų19.18%0.07811%0.114CC..THydrogen-bonded Turntrans-63.9-27.2-176.3-165.6-95.3000113.3Q550 L553 A554 D557 F594 H596 Y601 G607 Y608Q550-Y605 PolarHBondContact OE1-OH 3.23Å; L553-Y605 HydrophobicContact CB-CD1 3.71Å; L553-Y605 HydrophobicContact CB-CE1 3.33Å; L553-Y605 HydrophobicContact CD1-CE1 3.81Å; L553-Y605 WeakPolarHBondContact CD1-OH 3.48Å; L553-Y605 HydrophobicContact CG-CE1 4.23Å; A554-Y605 HydrophobicContact CB-CD1 4.16Å; D557-Y605 PolarHBondContact OD2-N 2.88Å; F594-Y605 AromaticContact CE2-CD2 3.78Å; F594-Y605 HydrophobicContact CE2-CD2 3.78Å; F594-Y605 AromaticContact CE2-CE2 3.46Å; F594-Y605 HydrophobicContact CE2-CE2 3.46Å; F594-Y605 VanDerWaalsContact CE2-CE2 3.46Å; F594-Y605 HydrophobicContact CE2-CG 4.5Å; F594-Y605 AromaticContact CE2-CZ 3.96Å; F594-Y605 HydrophobicContact CZ-CD1 4.04Å; F594-Y605 AromaticContact CZ-CD2 3.42Å; F594-Y605 HydrophobicContact CZ-CD2 3.42Å; F594-Y605 VanDerWaalsContact CZ-CD2 3.42Å; F594-Y605 HydrophobicContact CZ-CE1 4.07Å; F594-Y605 AromaticContact CZ-CE2 3.45Å; F594-Y605 HydrophobicContact CZ-CE2 3.45Å; F594-Y605 VanDerWaalsContact CZ-CE2 3.45Å; F594-Y605 AromaticContact CZ-CG 3.71Å; F594-Y605 HydrophobicContact CZ-CG 3.71Å; F594-Y605 AromaticContact CZ-CZ 3.77Å; H596-Y605 HydrophobicContact CB-CD2 3.84Å; H596-Y605 HydrophobicContact CB-CE2 4.22Å; H596-Y605 AromaticContact CD2-CD2 3.6Å; H596-Y605 AromaticContact CD2-CE2 3.55Å; H596-Y605 AromaticContact CE1-CE2 3.87Å; H596-Y605 AromaticContact CG-CD2 3.64Å; H596-Y605 AromaticContact CG-CE2 3.58Å; H596-Y605 AromaticContact ND1-CE2 3.8Å; H596-Y605 AromaticContact NE2-CE2 3.73Å; Y601-Y605 PolarHBondContact O-N 2.95Å; Y605-G607 PolarHBondContact O-N 3.2Å; Y605-G607 VanDerWaalsContact O-N 3.08Å; Y605-Y608 HydrophobicContact CD2-CD2 4.14Å; Y605-Y608 HydrophobicContact CD2-CE2 4.04Å; Y605-Y608 AromaticContact CE2-CD2 4Å; Y605-Y608 HydrophobicContact CE2-CD2 4Å; Y605-Y608 AromaticContact CE2-CE2 3.84Å; Y605-Y608 HydrophobicContact CE2-CE2 3.84Å; Y605-Y608 PolarHBondContact O-N 3.48Å
606Y97.9Very high94.8Very high0 Ų018.3 Ų18.30%011%0.106CC..THydrogen-bonded Turntrans-57.6-21.1171.980.5-79.6000113.1L276 A281 V287 D495 Q604 Y608 L609 W610L276-Y606 HydrophobicContact CD2-CD1 4.43Å; L276-Y606 HydrophobicContact CD2-CE1 3.32Å; L276-Y606 WeakPolarHBondContact CD2-OH 3.34Å; A281-Y606 HydrophobicContact CB-CE2 3.73Å; A281-Y606 WeakPolarHBondContact CB-OH 3.05Å; V287-Y606 HydrophobicContact CB-CD2 4.4Å; V287-Y606 HydrophobicContact CB-CG 4.39Å; V287-Y606 HydrophobicContact CG1-CD1 3.69Å; V287-Y606 HydrophobicContact CG1-CD2 3.78Å; V287-Y606 HydrophobicContact CG1-CE1 4.31Å; V287-Y606 HydrophobicContact CG1-CE2 4.38Å; V287-Y606 HydrophobicContact CG1-CG 3.39Å; V287-Y606 HydrophobicContact CG2-CD1 4.04Å; V287-Y606 HydrophobicContact CG2-CD2 3.85Å; V287-Y606 HydrophobicContact CG2-CE1 3.8Å; V287-Y606 HydrophobicContact CG2-CE2 3.59Å; V287-Y606 HydrophobicContact CG2-CG 4.08Å; D495-Y606 HydrophobicContact CB-CE2 4.08Å; D495-Y606 PolarHBondContact OD2-OH 2.9Å; D495-Y606 VanDerWaalsContact OD2-OH 3.09Å; Q604-Y606 PolarHBondContact O-N 3.4Å; Y606-Y608 PolarHBondContact O-N 3.17Å; Y606-L609 PolarHBondContact O-N 3.15Å; Y606-L609 VanDerWaalsContact O-N 3.14Å; Y606-W610 HydrophobicContact CD2-CB 3.89Å; Y606-W610 HydrophobicContact CD2-CD2 4.26Å; Y606-W610 AromaticContact CD2-CE3 3.98Å; Y606-W610 HydrophobicContact CD2-CE3 3.98Å; Y606-W610 HydrophobicContact CD2-CG 4.28Å; Y606-W610 HydrophobicContact CE2-CB 4.04Å; Y606-W610 AromaticContact CE2-CD2 3.87Å; Y606-W610 HydrophobicContact CE2-CD2 3.87Å; Y606-W610 AromaticContact CE2-CE3 3.83Å; Y606-W610 HydrophobicContact CE2-CE3 3.83Å; Y606-W610 AromaticContact CE2-CG 3.99Å; Y606-W610 HydrophobicContact CE2-CG 3.99Å; Y606-W610 WeakPolarHBondContact O-CB 3.46Å; Y606-W610 PolarHBondContact O-N 2.96Å
607G96.4Very high95Very high4 Ų416 Ų164%0.04110%0.095CC..Hα-helixtrans-55.7-30.9-178.100000113.8Q604 Y605 S611Q604-G607 WeakPolarHBondContact O-CA 3.46Å; Q604-G607 PolarHBondContact O-N 2.78Å; Y605-G607 PolarHBondContact O-N 3.2Å; Y605-G607 VanDerWaalsContact O-N 3.08Å; G607-S611 WeakPolarHBondContact O-CB 3.44Å; G607-S611 PolarHBondContact O-N 3.16Å; G607-S611 PolarHBondContact O-OG 3.42Å
608Y93.6Very high95Very high61 Ų6115.9 Ų15.924%0.23910%0.095CC..Hα-helixtrans-64.5-49.8175-71.4-71000112.4E498 Q502 H596 Y601 Y605 Y606 E612E498-Y608 HydrophobicContact CG-CD1 4.01Å; E498-Y608 HydrophobicContact CG-CE1 4.02Å; Q502-Y608 PolarHBondContact NE2-O 3.22Å; Q502-Y608 PolarHBondContact OE1-O 3.47Å; H596-Y608 AromaticContact CD2-CE2 3.92Å; H596-Y608 AromaticContact NE2-CE2 3.72Å; H596-Y608 AromaticContact NE2-CZ 3.93Å; H596-Y608 PolarHBondContact NE2-OH 3.46Å; Y601-Y608 HydrophobicContact CD1-CE2 4.41Å; Y601-Y608 HydrophobicContact CE1-CE2 4.3Å; Y605-Y608 HydrophobicContact CD2-CD2 4.14Å; Y605-Y608 HydrophobicContact CD2-CE2 4.04Å; Y605-Y608 AromaticContact CE2-CD2 4Å; Y605-Y608 HydrophobicContact CE2-CD2 4Å; Y605-Y608 AromaticContact CE2-CE2 3.84Å; Y605-Y608 HydrophobicContact CE2-CE2 3.84Å; Y605-Y608 PolarHBondContact O-N 3.48Å; Y606-Y608 PolarHBondContact O-N 3.17Å; Y608-E612 WeakPolarHBondContact O-CB 3.43Å; Y608-E612 PolarHBondContact O-N 2.93Å
609L95.6Very high95.3Very high4 Ų415.6 Ų15.62%0.0219%0.092CC..Hα-helixtrans-70.3-36.3177.5-73.8172.9000111.6F290 L291 L294 N547 Q550 I551 Y606 E612 V613F290-L609 HydrophobicContact CE1-CB 4.08Å; F290-L609 HydrophobicContact CZ-CB 4.2Å; L291-L609 HydrophobicContact CD2-CD1 4.28Å; L294-L609 HydrophobicContact CD2-CB 4.49Å; L294-L609 HydrophobicContact CD2-CD1 4.27Å; L294-L609 HydrophobicContact CD2-CD2 4.49Å; N547-L609 VanDerWaalsContact OD1-CD2 3.27Å; N547-L609 WeakPolarHBondContact OD1-CD2 3.5Å; Q550-L609 HydrophobicContact CB-CD1 3.8Å; Q550-L609 HydrophobicContact CB-CD2 4.04Å; Q550-L609 HydrophobicContact CB-CG 3.98Å; I551-L609 HydrophobicContact CG1-CD1 3.57Å; Y606-L609 PolarHBondContact O-N 3.15Å; Y606-L609 VanDerWaalsContact O-N 3.14Å; L609-E612 PolarHBondContact O-N 2.94Å; L609-V613 VanDerWaalsContact O-CG2 3.25Å; L609-V613 WeakPolarHBondContact O-CG2 3.5Å; L609-V613 PolarHBondContact O-N 3.23Å; L609-V613 VanDerWaalsContact O-N 3.08Å
610W97.1Very high95.9Very high10 Ų1016.4 Ų16.44%0.0388%0.081CC..Hα-helixtrans-62.2-45.4176.8-174.6-80.5000111.4A281 K286 F290 D495 Y606 F614A281-W610 HydrophobicContact CB-CD2 4.49Å; A281-W610 HydrophobicContact CB-CE3 4.39Å; A281-W610 HydrophobicContact CB-CH2 3.77Å; A281-W610 HydrophobicContact CB-CZ2 3.86Å; A281-W610 HydrophobicContact CB-CZ3 4.03Å; K286-W610 HydrophobicContact CD-CH2 3.9Å; K286-W610 HydrophobicContact CG-CH2 4.21Å; F290-W610 HydrophobicContact CB-CE3 4.28Å; F290-W610 HydrophobicContact CB-CZ3 3.96Å; F290-W610 AromaticContact CD1-CE3 3.89Å; F290-W610 HydrophobicContact CD1-CE3 3.89Å; F290-W610 HydrophobicContact CD1-CZ3 4.43Å; F290-W610 HydrophobicContact CD2-CE3 4Å; F290-W610 HydrophobicContact CD2-CZ3 4.17Å; F290-W610 HydrophobicContact CE1-CB 4.38Å; F290-W610 HydrophobicContact CE1-CE3 4.22Å; F290-W610 HydrophobicContact CE2-CE3 4.33Å; F290-W610 AromaticContact CG-CE3 3.78Å; F290-W610 HydrophobicContact CG-CE3 3.78Å; F290-W610 AromaticContact CG-CZ3 3.93Å; F290-W610 HydrophobicContact CG-CZ3 3.93Å; F290-W610 HydrophobicContact CZ-CB 4.45Å; F290-W610 HydrophobicContact CZ-CE3 4.43Å; D495-W610 HydrophobicContact CB-CG 4.45Å; Y606-W610 HydrophobicContact CD2-CB 3.89Å; Y606-W610 HydrophobicContact CD2-CD2 4.26Å; Y606-W610 AromaticContact CD2-CE3 3.98Å; Y606-W610 HydrophobicContact CD2-CE3 3.98Å; Y606-W610 HydrophobicContact CD2-CG 4.28Å; Y606-W610 HydrophobicContact CE2-CB 4.04Å; Y606-W610 AromaticContact CE2-CD2 3.87Å; Y606-W610 HydrophobicContact CE2-CD2 3.87Å; Y606-W610 AromaticContact CE2-CE3 3.83Å; Y606-W610 HydrophobicContact CE2-CE3 3.83Å; Y606-W610 AromaticContact CE2-CG 3.99Å; Y606-W610 HydrophobicContact CE2-CG 3.99Å; Y606-W610 WeakPolarHBondContact O-CB 3.46Å; Y606-W610 PolarHBondContact O-N 2.96Å; W610-F614 AromaticContact CD1-CD2 3.85Å; W610-F614 AromaticContact CD1-CE2 3.6Å; W610-F614 HydrophobicContact CD2-CE2 4.27Å; W610-F614 AromaticContact CE2-CE2 3.49Å; W610-F614 VanDerWaalsContact CE2-CE2 3.49Å; W610-F614 AromaticContact CE2-CZ 3.89Å; W610-F614 HydrophobicContact CG-CE2 4.33Å; W610-F614 AromaticContact CZ2-CE2 3.91Å; W610-F614 HydrophobicContact CZ2-CE2 3.91Å; W610-F614 AromaticContact CZ2-CZ 3.99Å; W610-F614 HydrophobicContact CZ2-CZ 3.99Å; W610-F614 AromaticContact NE1-CD2 3.77Å; W610-F614 AromaticContact NE1-CE2 3.1Å; W610-F614 AromaticContact NE1-CZ 3.97Å; W610-F614 PolarHBondContact O-N 3.12Å
611S96.1Very high96.5Very high0 Ų016.1 Ų16.10%08%0.075CC..Hα-helixtrans-64.8-43175-64.70000111.8D495 G607 V613 F614 S615D495-S611 PolarHBondContact O-OG 3.05Å; G607-S611 WeakPolarHBondContact O-CB 3.44Å; G607-S611 PolarHBondContact O-N 3.16Å; G607-S611 PolarHBondContact O-OG 3.42Å; S611-V613 VanDerWaalsContact C-N 3.28Å; S611-V613 PolarHBondContact O-N 2.82Å; S611-F614 PolarHBondContact O-N 3.27Å; S611-F614 VanDerWaalsContact O-N 3.15Å; S611-S615 VanDerWaalsContact O-CB 3.31Å; S611-S615 WeakPolarHBondContact O-CB 3.4Å; S611-S615 PolarHBondContact O-N 3.2Å; S611-S615 PolarHBondContact O-OG 3.14Å
612E95.4Very high96.7Very high28 Ų2815.4 Ų15.413%0.1317%0.073CC..Hα-helixtrans-63.6-36.8-178.1-166-174.7158.800111.5Q502 Y608 L609 S615 T616 F667 K671Q502-E612 VanDerWaalsContact OE1-CA 3.27Å; Y608-E612 WeakPolarHBondContact O-CB 3.43Å; Y608-E612 PolarHBondContact O-N 2.93Å; L609-E612 PolarHBondContact O-N 2.94Å; E612-S615 WeakPolarHBondContact CA-OG 3.17Å; E612-S615 PolarHBondContact O-OG 3.34Å; E612-T616 VanDerWaalsContact O-CB 3.32Å; E612-T616 WeakPolarHBondContact O-CB 3.42Å; E612-T616 PolarHBondContact O-N 2.71Å; E612-T616 PolarHBondContact O-OG1 2.7Å; E612-F667 HydrophobicContact CB-CE2 4.33Å; E612-F667 HydrophobicContact CG-CD2 4.3Å; E612-F667 HydrophobicContact CG-CE2 3.91Å; E612-K671 IonicContact OE1-NZ 3.68Å; E612-K671 PolarHBondContact OE1-NZ 2.79Å
613V94.5Very high96.8Very high0 Ų014.3 Ų14.30%07%0.067CC..Hα-helixtrans-60.3-48.3175.41640000111F290 L609 S611 D617 Q664 F667F290-V613 HydrophobicContact CE2-CG2 4.01Å; F290-V613 HydrophobicContact CZ-CG2 4.02Å; L609-V613 VanDerWaalsContact O-CG2 3.25Å; L609-V613 WeakPolarHBondContact O-CG2 3.5Å; L609-V613 PolarHBondContact O-N 3.23Å; L609-V613 VanDerWaalsContact O-N 3.08Å; S611-V613 VanDerWaalsContact C-N 3.28Å; S611-V613 PolarHBondContact O-N 2.82Å; V613-D617 PolarHBondContact O-N 2.97Å; V613-D617 VanDerWaalsContact O-N 3.16Å; V613-Q664 HydrophobicContact CG1-CB 4.25Å; V613-Q664 HydrophobicContact CG1-CG 3.76Å; V613-F667 HydrophobicContact CB-CB 4.39Å; V613-F667 HydrophobicContact CB-CG 4.44Å; V613-F667 HydrophobicContact CG1-CB 4.47Å; V613-F667 HydrophobicContact CG2-CB 4.05Å; V613-F667 HydrophobicContact CG2-CD1 3.98Å; V613-F667 HydrophobicContact CG2-CD2 3.85Å; V613-F667 HydrophobicContact CG2-CE1 4.45Å; V613-F667 HydrophobicContact CG2-CE2 4.28Å; V613-F667 HydrophobicContact CG2-CG 3.67Å
614F94.3Very high96.7Very high18 Ų1818.3 Ų18.38%0.0798%0.084CC..Hα-helixtrans-77.9-33.1-177.2-62-25.7000113.2M280 W610 S611 T616 D617 M618 L654 P662M280-F614 HydrophobicContact CE-CD2 3.97Å; M280-F614 HydrophobicContact CE-CE2 3.37Å; M280-F614 HydrophobicContact CE-CZ 4Å; M280-F614 HydrophobicContact SD-CD2 3.94Å; M280-F614 HydrophobicContact SD-CE2 3.59Å; M280-F614 VanDerWaalsContact SD-CE2 3.59Å; W610-F614 AromaticContact CD1-CD2 3.85Å; W610-F614 AromaticContact CD1-CE2 3.6Å; W610-F614 HydrophobicContact CD2-CE2 4.27Å; W610-F614 AromaticContact CE2-CE2 3.49Å; W610-F614 VanDerWaalsContact CE2-CE2 3.49Å; W610-F614 AromaticContact CE2-CZ 3.89Å; W610-F614 HydrophobicContact CG-CE2 4.33Å; W610-F614 AromaticContact CZ2-CE2 3.91Å; W610-F614 HydrophobicContact CZ2-CE2 3.91Å; W610-F614 AromaticContact CZ2-CZ 3.99Å; W610-F614 HydrophobicContact CZ2-CZ 3.99Å; W610-F614 AromaticContact NE1-CD2 3.77Å; W610-F614 AromaticContact NE1-CE2 3.1Å; W610-F614 AromaticContact NE1-CZ 3.97Å; W610-F614 PolarHBondContact O-N 3.12Å; S611-F614 PolarHBondContact O-N 3.27Å; S611-F614 VanDerWaalsContact O-N 3.15Å; F614-T616 VanDerWaalsContact C-N 3.27Å; F614-T616 PolarHBondContact O-N 2.97Å; F614-D617 PolarHBondContact O-N 3.18Å; F614-M618 VanDerWaalsContact O-CG 3.25Å; F614-M618 WeakPolarHBondContact O-CG 3.49Å; F614-M618 PolarHBondContact O-N 2.7Å; F614-L654 HydrophobicContact CB-CD1 4.24Å; F614-L654 HydrophobicContact CD2-CD1 3.96Å; F614-L654 HydrophobicContact CG-CD1 4.22Å; F614-P662 HydrophobicContact CD1-CB 3.62Å; F614-P662 HydrophobicContact CD1-CG 4.12Å; F614-P662 HydrophobicContact CE1-CB 3.82Å; F614-P662 HydrophobicContact CE1-CG 3.91Å; F614-P662 HydrophobicContact CE2-CG 4.46Å; F614-P662 HydrophobicContact CG-CB 4.16Å; F614-P662 HydrophobicContact CZ-CB 4.48Å; F614-P662 HydrophobicContact CZ-CG 4.1Å
615S97.1Very high96.6Very high1 Ų124 Ų241%0.00711%0.111CC..Hα-helixtrans-63.4-37.4172.777.80000111.4A499 Q502 S611 E612 M618 F619A499-S615 WeakPolarHBondContact O-CB 3.22Å; Q502-S615 WeakPolarHBondContact CB-OG 3.3Å; S611-S615 VanDerWaalsContact O-CB 3.31Å; S611-S615 WeakPolarHBondContact O-CB 3.4Å; S611-S615 PolarHBondContact O-N 3.2Å; S611-S615 PolarHBondContact O-OG 3.14Å; E612-S615 WeakPolarHBondContact CA-OG 3.17Å; E612-S615 PolarHBondContact O-OG 3.34Å; S615-M618 WeakPolarHBondContact O-CB 3.43Å; S615-M618 PolarHBondContact O-N 2.93Å; S615-F619 WeakPolarHBondContact O-CB 3.33Å; S615-F619 PolarHBondContact O-N 3.2Å
616T96.6Very high96.5Very high4 Ų427.3 Ų27.33%0.02513%0.127CC..Hα-helixtrans-67.2-41.4174.5-53.80000111.1E612 F614 F619 Y620 A666 F667E612-T616 VanDerWaalsContact O-CB 3.32Å; E612-T616 WeakPolarHBondContact O-CB 3.42Å; E612-T616 PolarHBondContact O-N 2.71Å; E612-T616 PolarHBondContact O-OG1 2.7Å; F614-T616 VanDerWaalsContact C-N 3.27Å; F614-T616 PolarHBondContact O-N 2.97Å; T616-F619 PolarHBondContact O-N 3.41Å; T616-Y620 HydrophobicContact CG2-CD2 3.48Å; T616-Y620 VanDerWaalsContact CG2-CD2 3.48Å; T616-Y620 HydrophobicContact CG2-CE2 3.63Å; T616-Y620 WeakPolarHBondContact O-CB 3.22Å; T616-Y620 WeakPolarHBondContact O-CD2 3.26Å; T616-Y620 PolarHBondContact O-N 2.87Å; T616-A666 HydrophobicContact CG2-CB 4.15Å; T616-F667 HydrophobicContact CG2-CB 4.47Å
617D97.7Very high96.5Very high4 Ų428.8 Ų28.82%0.02114%0.142CC..Hα-helixtrans-62.2-43.8175-163.419.8000111.6V613 F614 F619 A621 R660 P662 K663 A666V613-D617 PolarHBondContact O-N 2.97Å; V613-D617 VanDerWaalsContact O-N 3.16Å; F614-D617 PolarHBondContact O-N 3.18Å; D617-F619 PolarHBondContact O-N 3Å; D617-A621 WeakPolarHBondContact O-CB 3.48Å; D617-A621 PolarHBondContact O-N 2.79Å; D617-R660 IonicContact OD1-CZ 2.76Å; D617-R660 IonicContact OD1-NH1 2.85Å; D617-R660 IonicContact OD1-NH2 2.74Å; D617-R660 PolarHBondContact OD1-NH2 3.48Å; D617-R660 IonicContact OD2-CZ 3.98Å; D617-R660 IonicContact OD2-NH1 3.28Å; D617-R660 PolarHBondContact OD2-NH1 2.85Å; D617-R660 IonicContact OD2-NH2 3.58Å; D617-R660 PolarHBondContact OD2-NH2 3.41Å; D617-P662 WeakPolarHBondContact OD2-CA 3.35Å; D617-K663 PolarHBondContact OD2-N 3.06Å; D617-A666 HydrophobicContact CB-CB 4.44Å
618M98.3Very high96.5Very high0 Ų029.5 Ų29.50%015%0.145CC..Hα-helixtrans-56.7-49.2173.4-70.8168.756.300112.3M503 F614 S615 R622 Y637 I641 L654 F657 L658M503-M618 HydrophobicContact CG-CB 4.24Å; M503-M618 HydrophobicContact CG-CE 4.5Å; M503-M618 HydrophobicContact SD-CB 4.05Å; M503-M618 HydrophobicContact SD-CE 3.65Å; F614-M618 VanDerWaalsContact O-CG 3.25Å; F614-M618 WeakPolarHBondContact O-CG 3.49Å; F614-M618 PolarHBondContact O-N 2.7Å; S615-M618 WeakPolarHBondContact O-CB 3.43Å; S615-M618 PolarHBondContact O-N 2.93Å; M618-R622 WeakPolarHBondContact O-CB 3.38Å; M618-R622 PolarHBondContact O-N 3.19Å; M618-Y637 HydrophobicContact CE-CD2 3.9Å; M618-Y637 HydrophobicContact CE-CE2 3.66Å; M618-I641 HydrophobicContact CE-CD1 4.1Å; M618-I641 HydrophobicContact CE-CG1 3.79Å; M618-I641 HydrophobicContact CE-CG2 4.14Å; M618-L654 HydrophobicContact CG-CD2 3.71Å; M618-L654 HydrophobicContact SD-CD2 3.45Å; M618-L654 WeakPolarHBondContact SD-CD2 3.32Å; M618-F657 HydrophobicContact CB-CD1 4.32Å; M618-F657 HydrophobicContact CB-CE1 3.92Å; M618-F657 HydrophobicContact CE-CD1 4.31Å; M618-F657 HydrophobicContact CE-CE1 4.23Å; M618-F657 HydrophobicContact CG-CD1 3.98Å; M618-F657 HydrophobicContact CG-CE1 4.09Å; M618-L658 HydrophobicContact CG-CD2 4.35Å
619F98.4Very high96.7Very high0 Ų027.5 Ų27.50%014%0.138CC..Iπ-helixtrans-64.7-51.8-179.4-178.8-104.7000111.8M503 N506 W507 E510 S615 T616 D617 F623 K624 I628M503-F619 HydrophobicContact CG-CB 4.07Å; N506-F619 HydrophobicContact CB-CD1 3.76Å; N506-F619 HydrophobicContact CB-CD2 3.58Å; N506-F619 HydrophobicContact CB-CE1 3.71Å; N506-F619 HydrophobicContact CB-CE2 3.52Å; N506-F619 HydrophobicContact CB-CG 3.7Å; N506-F619 HydrophobicContact CB-CZ 3.59Å; W507-F619 HydrophobicContact CE3-CD2 4.2Å; W507-F619 AromaticContact CE3-CE2 3.89Å; W507-F619 HydrophobicContact CE3-CE2 3.89Å; W507-F619 HydrophobicContact CH2-CD2 4.13Å; W507-F619 HydrophobicContact CH2-CE2 4.09Å; W507-F619 AromaticContact CZ3-CD2 3.55Å; W507-F619 HydrophobicContact CZ3-CD2 3.55Å; W507-F619 AromaticContact CZ3-CE2 3.59Å; W507-F619 HydrophobicContact CZ3-CE2 3.59Å; E510-F619 HydrophobicContact CG-CZ 4.07Å; S615-F619 WeakPolarHBondContact O-CB 3.33Å; S615-F619 PolarHBondContact O-N 3.2Å; T616-F619 PolarHBondContact O-N 3.41Å; D617-F619 PolarHBondContact O-N 3Å; F619-F623 HydrophobicContact CD2-CB 3.86Å; F619-F623 HydrophobicContact CD2-CG 4.46Å; F619-F623 HydrophobicContact CE2-CB 4.08Å; F619-F623 CarbonylContact O-C 3.48Å; F619-F623 WeakPolarHBondContact O-CA 3.49Å; F619-F623 WeakPolarHBondContact O-CB 3.49Å; F619-F623 PolarHBondContact O-N 3.37Å; F619-K624 HydrophobicContact CE1-CB 4.43Å; F619-K624 HydrophobicContact CE1-CD 4.06Å; F619-K624 HydrophobicContact CZ-CD 4.34Å; F619-K624 PolarHBondContact O-N 3.19Å; F619-I628 HydrophobicContact CE2-CG2 4Å; F619-I628 HydrophobicContact CZ-CG2 3.84Å
620Y96.6Very high96.8Very high62 Ų6229.6 Ų29.624%0.24315%0.149CC..Iπ-helixtrans-73.6-34.1-174.2-83.5-96.8000113.5T616 K624 Q625 A666T616-Y620 HydrophobicContact CG2-CD2 3.48Å; T616-Y620 VanDerWaalsContact CG2-CD2 3.48Å; T616-Y620 HydrophobicContact CG2-CE2 3.63Å; T616-Y620 WeakPolarHBondContact O-CB 3.22Å; T616-Y620 WeakPolarHBondContact O-CD2 3.26Å; T616-Y620 PolarHBondContact O-N 2.87Å; Y620-K624 HydrophobicContact CD1-CB 4.39Å; Y620-K624 HydrophobicContact CD1-CG 4.24Å; Y620-Q625 WeakPolarHBondContact O-CG 3.26Å; Y620-A666 HydrophobicContact CG-CB 4.34Å
621A96.3Very high96.6Very high30 Ų3032.5 Ų32.525%0.24817%0.169CC..Iπ-helixtrans-79-30.9-177.200000113.2D617 L658D617-A621 WeakPolarHBondContact O-CB 3.48Å; D617-A621 PolarHBondContact O-N 2.79Å; A621-L658 HydrophobicContact CB-CD2 4.08Å
622R97.8Very high96.7Very high31 Ų3137.8 Ų37.812%0.11719%0.194CC..Iπ-helixtrans-109-69-178.2-61.9-62-53.2-79-1.8111.3M618 K624 Q625 E626 V633 D636 F657 L658M618-R622 WeakPolarHBondContact O-CB 3.38Å; M618-R622 PolarHBondContact O-N 3.19Å; R622-K624 PolarHBondContact O-N 2.83Å; R622-Q625 PolarHBondContact O-N 3.43Å; R622-E626 IonicContact CZ-OE1 3.84Å; R622-E626 IonicContact NE-OE1 3.51Å; R622-E626 PolarHBondContact NE-OE1 3.49Å; R622-E626 IonicContact NH2-OE1 3.46Å; R622-E626 IonicContact NH2-OE2 3.66Å; R622-E626 WeakPolarHBondContact O-CB 3.4Å; R622-E626 PolarHBondContact O-N 3.08Å; R622-V633 HydrophobicContact CB-CG1 3.82Å; R622-D636 IonicContact CZ-OD2 3.35Å; R622-D636 IonicContact NH1-OD2 3.02Å; R622-D636 IonicContact NH2-OD2 2.94Å; R622-D636 PolarHBondContact NH2-OD2 3.2Å; R622-F657 HydrophobicContact CB-CE1 4.01Å; R622-F657 HydrophobicContact CB-CZ 3.8Å; R622-F657 WeakPolarHBondContact CD-O 3.48Å; R622-F657 HydrophobicContact CG-CD1 4.14Å; R622-F657 HydrophobicContact CG-CE1 3.6Å; R622-F657 HydrophobicContact CG-CE2 4.31Å; R622-F657 HydrophobicContact CG-CZ 3.7Å; R622-F657 PolarHBondContact NH1-O 3.41Å; R622-L658 HydrophobicContact CG-CD2 4.5Å
623F98.1Very high96.8Very high0 Ų036.5 Ų36.50%019%0.188CC..Iπ-helixtrans-64.1-44.6-172.9-72.3-76.9000113.6L372 M503 W507 F619 Q625 G627 I628 V633 Y637 F657L372-F623 HydrophobicContact CD1-CD1 4.42Å; L372-F623 HydrophobicContact CD1-CE1 3.69Å; L372-F623 HydrophobicContact CD1-CZ 4.49Å; M503-F623 HydrophobicContact CE-CE2 3.82Å; M503-F623 HydrophobicContact CE-CZ 4.35Å; M503-F623 HydrophobicContact SD-CD2 3.93Å; M503-F623 HydrophobicContact SD-CE2 3.51Å; M503-F623 VanDerWaalsContact SD-CE2 3.51Å; W507-F623 HydrophobicContact CH2-CB 4.23Å; W507-F623 AromaticContact CH2-CD1 3.58Å; W507-F623 HydrophobicContact CH2-CD1 3.58Å; W507-F623 AromaticContact CH2-CD2 3.97Å; W507-F623 HydrophobicContact CH2-CD2 3.97Å; W507-F623 AromaticContact CH2-CE1 3.85Å; W507-F623 HydrophobicContact CH2-CE1 3.85Å; W507-F623 HydrophobicContact CH2-CE2 4.19Å; W507-F623 AromaticContact CH2-CG 3.64Å; W507-F623 HydrophobicContact CH2-CG 3.64Å; W507-F623 HydrophobicContact CH2-CZ 4.12Å; W507-F623 AromaticContact CZ2-CD1 3.9Å; W507-F623 HydrophobicContact CZ2-CD1 3.9Å; W507-F623 HydrophobicContact CZ2-CE1 4.13Å; W507-F623 HydrophobicContact CZ2-CG 4.36Å; F619-F623 HydrophobicContact CD2-CB 3.86Å; F619-F623 HydrophobicContact CD2-CG 4.46Å; F619-F623 HydrophobicContact CE2-CB 4.08Å; F619-F623 CarbonylContact O-C 3.48Å; F619-F623 WeakPolarHBondContact O-CA 3.49Å; F619-F623 WeakPolarHBondContact O-CB 3.49Å; F619-F623 PolarHBondContact O-N 3.37Å; F623-Q625 VanDerWaalsContact C-N 3.33Å; F623-Q625 PolarHBondContact O-N 3.46Å; F623-G627 CarbonylContact O-C 3.56Å; F623-G627 WeakPolarHBondContact O-CA 3.38Å; F623-G627 PolarHBondContact O-N 3.05Å; F623-I628 PolarHBondContact O-N 3.05Å; F623-I628 VanDerWaalsContact O-N 3.16Å; F623-V633 HydrophobicContact CD1-CB 4.18Å; F623-V633 HydrophobicContact CD1-CG1 3.66Å; F623-V633 HydrophobicContact CD2-CG1 4.18Å; F623-V633 HydrophobicContact CE1-CB 3.96Å; F623-V633 HydrophobicContact CE1-CG1 3.55Å; F623-V633 HydrophobicContact CE2-CG1 4.11Å; F623-V633 HydrophobicContact CG-CG1 3.98Å; F623-V633 HydrophobicContact CZ-CG1 3.81Å; F623-Y637 HydrophobicContact CE2-CG 4.33Å; F623-Y637 HydrophobicContact CZ-CG 4.15Å; F623-F657 HydrophobicContact CD2-CZ 4.5Å; F623-F657 AromaticContact CE2-CZ 3.9Å; F623-F657 HydrophobicContact CE2-CZ 3.9Å
624K96.2Very high97Very high83 Ų8336.5 Ų36.536%0.36119%0.188SC..Hα-helixtrans-70-30-178-16168.2175.7-173.20112.9E510 F619 Y620 R622 I628E510-K624 IonicContact OE1-NZ 3.76Å; E510-K624 PolarHBondContact OE1-NZ 3.42Å; E510-K624 IonicContact OE2-NZ 3.17Å; E510-K624 PolarHBondContact OE2-NZ 2.91Å; F619-K624 HydrophobicContact CE1-CB 4.43Å; F619-K624 HydrophobicContact CE1-CD 4.06Å; F619-K624 HydrophobicContact CZ-CD 4.34Å; F619-K624 PolarHBondContact O-N 3.19Å; Y620-K624 HydrophobicContact CD1-CB 4.39Å; Y620-K624 HydrophobicContact CD1-CG 4.24Å; R622-K624 PolarHBondContact O-N 2.83Å; K624-I628 HydrophobicContact CD-CG2 4.35Å
625Q95.9Very high97.2Very high145 Ų14539 Ų3968%0.67820%0.201SC*.Hα-helixtrans-80.5-43.3178.4-62.9-53.6-47.300112.6Y620 R622 F623Y620-Q625 WeakPolarHBondContact O-CG 3.26Å; R622-Q625 PolarHBondContact O-N 3.43Å; F623-Q625 VanDerWaalsContact C-N 3.33Å; F623-Q625 PolarHBondContact O-N 3.46Å
626E97.5Very high97.3Very high88 Ų8840.4 Ų40.441%0.41121%0.209SC..Hα-helixtrans-98.5-5.5-170-63.6174.4-113.200113.1R622 N630 V633R622-E626 IonicContact CZ-OE1 3.84Å; R622-E626 IonicContact NE-OE1 3.51Å; R622-E626 PolarHBondContact NE-OE1 3.49Å; R622-E626 IonicContact NH2-OE1 3.46Å; R622-E626 IonicContact NH2-OE2 3.66Å; R622-E626 WeakPolarHBondContact O-CB 3.4Å; R622-E626 PolarHBondContact O-N 3.08Å; E626-N630 WeakPolarHBondContact O-CB 3.22Å; E626-N630 PolarHBondContact O-ND2 3.3Å; E626-V633 HydrophobicContact CB-CG2 3.62Å; E626-V633 HydrophobicContact CG-CG2 4.34Å; E626-V633 WeakPolarHBondContact OE2-CG2 3.28Å
627G97.3Very high97.4Very high31 Ų3140.2 Ų40.232%0.3221%0.208SC..  trans109.8125.2-179.500000112.2F623 M629 N630F623-G627 CarbonylContact O-C 3.56Å; F623-G627 WeakPolarHBondContact O-CA 3.38Å; F623-G627 PolarHBondContact O-N 3.05Å; G627-M629 PolarHBondContact O-N 2.9Å; G627-N630 WeakPolarHBondContact O-CB 3.22Å; G627-N630 PolarHBondContact O-N 2.9Å
628I96.9Very high97.4Very high19 Ų1941.1 Ų41.110%0.09721%0.211CC..THydrogen-bonded Turntrans-65.6-25.9-173.864.3171.9000113.1W507 E510 P513 F619 F623 K624W507-I628 WeakPolarHBondContact CZ2-O 3.31Å; E510-I628 HydrophobicContact CB-CD1 3.6Å; E510-I628 HydrophobicContact CG-CD1 3.75Å; P513-I628 HydrophobicContact CG-CD1 3.94Å; F619-I628 HydrophobicContact CE2-CG2 4Å; F619-I628 HydrophobicContact CZ-CG2 3.84Å; F623-I628 PolarHBondContact O-N 3.05Å; F623-I628 VanDerWaalsContact O-N 3.16Å; K624-I628 HydrophobicContact CD-CG2 4.35Å
629M96.8Very high97.4Very high19 Ų1946 Ų469%0.09423%0.232CC..THydrogen-bonded Turntrans-103.616.8174-64.6-51.3-56.200112.7L368 E371 W507 G627 P631L368-M629 HydrophobicContact CD2-CE 3.67Å; L368-M629 HydrophobicContact CD2-SD 3.56Å; L368-M629 VanDerWaalsContact CD2-SD 3.56Å; E371-M629 HydrophobicContact CB-CE 4.16Å; E371-M629 HydrophobicContact CG-CE 4.04Å; W507-M629 PolarHBondContact NE1-SD 3.33Å; G627-M629 PolarHBondContact O-N 2.9Å; M629-P631 WeakPolarHBondContact O-CD 3.21Å
630N97.7Very high97.5Very high49 Ų4948.5 Ų48.526%0.26224%0.243SC..  trans-66.7115.9178.7-174.8-31.3000110.5E626 G627 Q632 V633 G634E626-N630 WeakPolarHBondContact O-CB 3.22Å; E626-N630 PolarHBondContact O-ND2 3.3Å; G627-N630 WeakPolarHBondContact O-CB 3.22Å; G627-N630 PolarHBondContact O-N 2.9Å; N630-Q632 VanDerWaalsContact C-N 3.27Å; N630-Q632 PolarHBondContact O-N 3.17Å; N630-Q632 WeakPolarHBondContact OD1-CB 3.44Å; N630-Q632 PolarHBondContact OD1-N 3.38Å; N630-V633 HydrophobicContact CB-CB 4.32Å; N630-V633 HydrophobicContact CB-CG2 3.91Å; N630-V633 PolarHBondContact O-N 3.02Å; N630-G634 PolarHBondContact O-N 3.2Å; N630-G634 VanDerWaalsContact O-N 3.12Å
631P94Very high97.6Very high71 Ų7145.6 Ų45.646%0.46123%0.232SC..Hα-helixtrans-63.4-31.9-176.8-20.532000113M629 G634 L635M629-P631 WeakPolarHBondContact O-CD 3.21Å; P631-G634 PolarHBondContact O-N 3.41Å; P631-L635 WeakPolarHBondContact O-CB 3.49Å; P631-L635 VanDerWaalsContact O-CG 3.29Å; P631-L635 WeakPolarHBondContact O-CG 3.41Å; P631-L635 PolarHBondContact O-N 3.2Å
632Q97.6Very high97.7Very high111 Ų11144.1 Ų44.152%0.51922%0.22SC..Hα-helixtrans-67.8-42.1-179.7-17558.255.900111.1N630 G634 L635 D636N630-Q632 VanDerWaalsContact C-N 3.27Å; N630-Q632 PolarHBondContact O-N 3.17Å; N630-Q632 WeakPolarHBondContact OD1-CB 3.44Å; N630-Q632 PolarHBondContact OD1-N 3.38Å; Q632-G634 VanDerWaalsContact C-N 3.33Å; Q632-L635 PolarHBondContact O-N 2.99Å; Q632-D636 PolarHBondContact NE2-OD1 3.14Å; Q632-D636 VanDerWaalsContact NE2-OD1 3.07Å; Q632-D636 VanDerWaalsContact O-CG 3.32Å; Q632-D636 PolarHBondContact O-N 2.87Å
633V98.4Very high97.7Very high0 Ų046.1 Ų46.10%023%0.231CC..Hα-helixtrans-67.2-38.5176.8-173.80000110.7R622 F623 E626 N630 D636 Y637 F657R622-V633 HydrophobicContact CB-CG1 3.82Å; F623-V633 HydrophobicContact CD1-CB 4.18Å; F623-V633 HydrophobicContact CD1-CG1 3.66Å; F623-V633 HydrophobicContact CD2-CG1 4.18Å; F623-V633 HydrophobicContact CE1-CB 3.96Å; F623-V633 HydrophobicContact CE1-CG1 3.55Å; F623-V633 HydrophobicContact CE2-CG1 4.11Å; F623-V633 HydrophobicContact CG-CG1 3.98Å; F623-V633 HydrophobicContact CZ-CG1 3.81Å; E626-V633 HydrophobicContact CB-CG2 3.62Å; E626-V633 HydrophobicContact CG-CG2 4.34Å; E626-V633 WeakPolarHBondContact OE2-CG2 3.28Å; N630-V633 HydrophobicContact CB-CB 4.32Å; N630-V633 HydrophobicContact CB-CG2 3.91Å; N630-V633 PolarHBondContact O-N 3.02Å; V633-D636 PolarHBondContact O-N 3.06Å; V633-Y637 WeakPolarHBondContact O-CB 3.22Å; V633-Y637 PolarHBondContact O-N 2.98Å; V633-F657 HydrophobicContact CG1-CZ 4.48Å
634G98.4Very high97.7Very high0 Ų046.9 Ų46.90%024%0.235CC..Hα-helixtrans-63.7-39.2174.300000113.4L372 N630 P631 Q632 Y637 R638L372-G634 CarbonylContact O-C 2.95Å; L372-G634 VanDerWaalsContact O-C 3.28Å; L372-G634 WeakPolarHBondContact O-CA 3.22Å; N630-G634 PolarHBondContact O-N 3.2Å; N630-G634 VanDerWaalsContact O-N 3.12Å; P631-G634 PolarHBondContact O-N 3.41Å; Q632-G634 VanDerWaalsContact C-N 3.33Å; G634-Y637 PolarHBondContact O-N 2.82Å; G634-R638 WeakPolarHBondContact O-CB 3.24Å; G634-R638 PolarHBondContact O-N 2.99Å
635L98.3Very high97.8Very high70 Ų7042.9 Ų42.937%0.36622%0.218SC..Hα-helixtrans-68.9-37.8172.7-71.6174.8000112.6P631 Q632 R638 K639P631-L635 WeakPolarHBondContact O-CB 3.49Å; P631-L635 VanDerWaalsContact O-CG 3.29Å; P631-L635 WeakPolarHBondContact O-CG 3.41Å; P631-L635 PolarHBondContact O-N 3.2Å; Q632-L635 PolarHBondContact O-N 2.99Å; L635-R638 PolarHBondContact O-N 3.34Å; L635-K639 VanDerWaalsContact O-CB 3.27Å; L635-K639 WeakPolarHBondContact O-CB 3.41Å; L635-K639 PolarHBondContact O-N 3.41Å
636D98.6Very high97.9Very high31 Ų3136 Ų3617%0.16619%0.186CC..Hα-helixtrans-62.8-43.2172.6-74.2-4.2000111R622 Q632 V633 K639 F640 F657R622-D636 IonicContact CZ-OD2 3.35Å; R622-D636 IonicContact NH1-OD2 3.02Å; R622-D636 IonicContact NH2-OD2 2.94Å; R622-D636 PolarHBondContact NH2-OD2 3.2Å; Q632-D636 PolarHBondContact NE2-OD1 3.14Å; Q632-D636 VanDerWaalsContact NE2-OD1 3.07Å; Q632-D636 VanDerWaalsContact O-CG 3.32Å; Q632-D636 PolarHBondContact O-N 2.87Å; V633-D636 PolarHBondContact O-N 3.06Å; D636-K639 PolarHBondContact O-N 2.99Å; D636-F640 HydrophobicContact CB-CD2 4.03Å; D636-F640 HydrophobicContact CB-CE2 4.12Å; D636-F640 WeakPolarHBondContact O-CB 3.42Å; D636-F640 WeakPolarHBondContact O-CD2 3.24Å; D636-F640 PolarHBondContact O-N 3.1Å; D636-F657 HydrophobicContact CB-CD2 4.45Å; D636-F657 HydrophobicContact CB-CE2 4.18Å
637Y98.8Very high98Very high0 Ų033 Ų330%018%0.175CC..Hα-helixtrans-61-48.5175.1167.4-110.1000111L373 P500 M503 L504 M618 F623 V633 G634 K639 I641 L642 F657L373-Y637 HydrophobicContact CD2-CD1 3.93Å; L373-Y637 HydrophobicContact CD2-CE1 4.26Å; P500-Y637 WeakPolarHBondContact CA-OH 3.37Å; P500-Y637 VanDerWaalsContact CB-OH 3.32Å; P500-Y637 WeakPolarHBondContact CB-OH 3.47Å; P500-Y637 PolarHBondContact O-OH 3.18Å; M503-Y637 HydrophobicContact CE-CD1 4.04Å; M503-Y637 HydrophobicContact CE-CD2 3.75Å; M503-Y637 HydrophobicContact CE-CE1 3.65Å; M503-Y637 HydrophobicContact CE-CE2 3.35Å; M503-Y637 HydrophobicContact CE-CG 4.07Å; M503-Y637 HydrophobicContact SD-CD2 3.9Å; M503-Y637 HydrophobicContact SD-CE2 3.73Å; L504-Y637 HydrophobicContact CD1-CE1 4.42Å; M618-Y637 HydrophobicContact CE-CD2 3.9Å; M618-Y637 HydrophobicContact CE-CE2 3.66Å; F623-Y637 HydrophobicContact CE2-CG 4.33Å; F623-Y637 HydrophobicContact CZ-CG 4.15Å; V633-Y637 WeakPolarHBondContact O-CB 3.22Å; V633-Y637 PolarHBondContact O-N 2.98Å; G634-Y637 PolarHBondContact O-N 2.82Å; Y637-K639 VanDerWaalsContact C-N 3.28Å; Y637-K639 PolarHBondContact O-N 3.04Å; Y637-I641 HydrophobicContact CD2-CB 3.77Å; Y637-I641 HydrophobicContact CD2-CG1 3.73Å; Y637-I641 HydrophobicContact CD2-CG2 4.21Å; Y637-I641 HydrophobicContact CE2-CB 3.79Å; Y637-I641 HydrophobicContact CE2-CG1 4.09Å; Y637-I641 HydrophobicContact CE2-CG2 3.71Å; Y637-I641 WeakPolarHBondContact O-CB 3.42Å; Y637-I641 PolarHBondContact O-N 3.44Å; Y637-L642 HydrophobicContact CD1-CD1 4.17Å; Y637-L642 HydrophobicContact CD1-CG 4.41Å; Y637-L642 HydrophobicContact CE1-CD1 3.66Å; Y637-L642 HydrophobicContact CE1-CD2 4.08Å; Y637-L642 HydrophobicContact CE1-CG 3.94Å; Y637-L642 HydrophobicContact CE2-CD2 4.33Å; Y637-L642 PolarHBondContact O-N 2.91Å; Y637-F657 VanDerWaalsContact CA-CE2 3.48Å; Y637-F657 HydrophobicContact CD2-CZ 4.44Å
638R98.6Very high98Very high23 Ų2334.2 Ų34.29%0.08717%0.172CC..Iπ-helixtrans-54.8-45.1174.2-178.4176.1169.6-161.1-10.9111.3L373 D397 C479 G634 L635 L642 Q643L373-R638 HydrophobicContact CD2-CB 4.22Å; L373-R638 WeakPolarHBondContact O-CD 3.49Å; L373-R638 PolarHBondContact O-NH1 3.06Å; D397-R638 IonicContact OD2-CZ 2.73Å; D397-R638 VanDerWaalsContact OD2-CZ 3.25Å; D397-R638 IonicContact OD2-NH1 2.7Å; D397-R638 PolarHBondContact OD2-NH1 2.72Å; D397-R638 IonicContact OD2-NH2 3.16Å; D397-R638 PolarHBondContact OD2-NH2 3.21Å; C479-R638 HydrophobicContact CB-CG 4.17Å; G634-R638 WeakPolarHBondContact O-CB 3.24Å; G634-R638 PolarHBondContact O-N 2.99Å; L635-R638 PolarHBondContact O-N 3.34Å; R638-L642 PolarHBondContact O-N 3.38Å; R638-Q643 VanDerWaalsContact O-CB 3.29Å; R638-Q643 WeakPolarHBondContact O-CB 3.33Å; R638-Q643 PolarHBondContact O-N 3.15Å
639K98.3Very high98.1Very high104 Ų10435.8 Ų35.845%0.45218%0.18SC..Iπ-helixtrans-72-44.7-176.6-180-179.6178.7179.80113.8L635 D636 Y637 P644L635-K639 VanDerWaalsContact O-CB 3.27Å; L635-K639 WeakPolarHBondContact O-CB 3.41Å; L635-K639 PolarHBondContact O-N 3.41Å; D636-K639 PolarHBondContact O-N 2.99Å; Y637-K639 VanDerWaalsContact C-N 3.28Å; Y637-K639 PolarHBondContact O-N 3.04Å; K639-P644 WeakPolarHBondContact O-CD 3.39Å
640F98.7Very high98.1Very high52 Ų5234.9 Ų34.923%0.22818%0.176CC..Iπ-helixtrans-95.2-22.9-169.9-63.4-56.8000113.7D636 M653 K656 F657D636-F640 HydrophobicContact CB-CD2 4.03Å; D636-F640 HydrophobicContact CB-CE2 4.12Å; D636-F640 WeakPolarHBondContact O-CB 3.42Å; D636-F640 WeakPolarHBondContact O-CD2 3.24Å; D636-F640 PolarHBondContact O-N 3.1Å; F640-M653 WeakPolarHBondContact O-CB 3.46Å; F640-K656 HydrophobicContact CB-CB 4.5Å; F640-K656 HydrophobicContact CD1-CB 3.98Å; F640-K656 HydrophobicContact CD1-CD 4.48Å; F640-K656 HydrophobicContact CG-CB 4.33Å; F640-F657 HydrophobicContact CB-CB 4.03Å; F640-F657 HydrophobicContact CB-CD2 4.33Å; F640-F657 HydrophobicContact CD2-CD2 4.31Å
641I98.8Very high98.1Very high0 Ų033.8 Ų33.80%017%0.174CC..Iπ-helixtrans-110.1-45.8-177.2-55.5-59.9000111.8F496 P500 M618 Y637 M653 F657F496-I641 HydrophobicContact CE1-CG2 4.38Å; F496-I641 HydrophobicContact CZ-CD1 4.44Å; F496-I641 HydrophobicContact CZ-CG2 4.04Å; P500-I641 HydrophobicContact CG-CG2 3.89Å; M618-I641 HydrophobicContact CE-CD1 4.1Å; M618-I641 HydrophobicContact CE-CG1 3.79Å; M618-I641 HydrophobicContact CE-CG2 4.14Å; Y637-I641 HydrophobicContact CD2-CB 3.77Å; Y637-I641 HydrophobicContact CD2-CG1 3.73Å; Y637-I641 HydrophobicContact CD2-CG2 4.21Å; Y637-I641 HydrophobicContact CE2-CB 3.79Å; Y637-I641 HydrophobicContact CE2-CG1 4.09Å; Y637-I641 HydrophobicContact CE2-CG2 3.71Å; Y637-I641 WeakPolarHBondContact O-CB 3.42Å; Y637-I641 PolarHBondContact O-N 3.44Å; I641-M653 HydrophobicContact CD1-CB 4.19Å; I641-F657 HydrophobicContact CD1-CB 3.72Å; I641-F657 HydrophobicContact CD1-CD1 4.34Å; I641-F657 HydrophobicContact CD1-CG 4.07Å; I641-F657 HydrophobicContact CG1-CB 4.12Å; I641-F657 HydrophobicContact CG1-CD1 4.28Å; I641-F657 HydrophobicContact CG1-CD2 4.33Å; I641-F657 HydrophobicContact CG1-CG 3.98Å
642L98.8Very high98.3Very high0 Ų033.4 Ų33.40%017%0.168CC..Iπ-helixtrans-90.1-47-173.5-50.3-178.2000113L373 M475 H476 C479 A480 P500 Y637 R638 P644 G645L373-L642 HydrophobicContact CD2-CD1 4.36Å; M475-L642 HydrophobicContact CB-CD1 4.48Å; H476-L642 HydrophobicContact CB-CD2 3.85Å; C479-L642 HydrophobicContact CB-CB 3.75Å; C479-L642 HydrophobicContact CB-CD1 4.08Å; A480-L642 VanDerWaalsContact CA-O 3.24Å; A480-L642 WeakPolarHBondContact CA-O 3.43Å; A480-L642 WeakPolarHBondContact CB-O 3.49Å; P500-L642 HydrophobicContact CB-CD2 4.13Å; Y637-L642 HydrophobicContact CD1-CD1 4.17Å; Y637-L642 HydrophobicContact CD1-CG 4.41Å; Y637-L642 HydrophobicContact CE1-CD1 3.66Å; Y637-L642 HydrophobicContact CE1-CD2 4.08Å; Y637-L642 HydrophobicContact CE1-CG 3.94Å; Y637-L642 HydrophobicContact CE2-CD2 4.33Å; Y637-L642 PolarHBondContact O-N 2.91Å; R638-L642 PolarHBondContact O-N 3.38Å; L642-P644 VanDerWaalsContact C-CD 3.44Å; L642-G645 PolarHBondContact O-N 2.95Å; L642-G645 VanDerWaalsContact O-N 3.14Å
643Q98.4Very high98.4Very high73 Ų7328.1 Ų28.134%0.34114%0.143SC..THydrogen-bonded Turntrans-58-38.4-173.7-171-179.2-1.500114C479 Q481 R638 G645C479-Q643 WeakPolarHBondContact O-CA 3.36Å; Q481-Q643 HydrophobicContact CB-CG 4.03Å; Q481-Q643 HydrophobicContact CG-CG 4.18Å; Q481-Q643 PolarHBondContact N-O 3.49Å; R638-Q643 VanDerWaalsContact O-CB 3.29Å; R638-Q643 WeakPolarHBondContact O-CB 3.33Å; R638-Q643 PolarHBondContact O-N 3.15Å; Q643-G645 VanDerWaalsContact C-N 3.28Å; Q643-G645 PolarHBondContact O-N 3.24Å
644P98.6Very high98.4Very high15 Ų1528.1 Ų28.110%0.09714%0.143CC..THydrogen-bonded Turntrans-67.5-26.3179-21.134.6000113.5K639 L642 G646 S647 E648 M653K639-P644 WeakPolarHBondContact O-CD 3.39Å; L642-P644 VanDerWaalsContact C-CD 3.44Å; P644-G646 PolarHBondContact O-N 2.95Å; P644-S647 VanDerWaalsContact O-CB 3.26Å; P644-S647 WeakPolarHBondContact O-CB 3.37Å; P644-S647 PolarHBondContact O-N 3.43Å; P644-S647 PolarHBondContact O-OG 3.28Å; P644-E648 HydrophobicContact CB-CB 4.25Å; P644-E648 HydrophobicContact CB-CG 4.1Å; P644-M653 HydrophobicContact CB-CG 4.48Å; P644-M653 HydrophobicContact CB-SD 3.8Å; P644-M653 HydrophobicContact CG-CG 4.33Å; P644-M653 HydrophobicContact CG-SD 3.92Å
645G98.2Very high98.4Very high0 Ų033 Ų330%016%0.162CC..G310 helixtrans50.6-133.8-164.500000110.6V492 L642 Q643 S647V492-G645 WeakPolarHBondContact CG1-O 3.29Å; L642-G645 PolarHBondContact O-N 2.95Å; L642-G645 VanDerWaalsContact O-N 3.14Å; Q643-G645 VanDerWaalsContact C-N 3.28Å; Q643-G645 PolarHBondContact O-N 3.24Å; G645-S647 VanDerWaalsContact C-N 3.31Å; G645-S647 PolarHBondContact O-N 3.37Å
646G98.1Very high98.4Very high1 Ų134.4 Ų34.41%0.0117%0.165CC..G310 helixtrans-82.25176.200000116.3R137 F487 H491 P644 E648R137-G646 PolarHBondContact NE-O 3.07Å; R137-G646 PolarHBondContact NH2-O 2.98Å; F487-G646 WeakPolarHBondContact CD1-O 2.89Å; F487-G646 PolarHBondContact O-N 3.04Å; H491-G646 VanDerWaalsContact O-CA 3.26Å; H491-G646 WeakPolarHBondContact O-CA 3.36Å; P644-G646 PolarHBondContact O-N 2.95Å; G646-E648 PolarHBondContact O-N 3.16Å
647S98.1Very high98.4Very high24 Ų2433 Ų3317%0.16816%0.157CC..G310 helixtrans-73.5-15-175.868.80000113.1R137 P644 G645R137-S647 WeakPolarHBondContact CD-O 3.39Å; R137-S647 PolarHBondContact NE-O 3.28Å; P644-S647 VanDerWaalsContact O-CB 3.26Å; P644-S647 WeakPolarHBondContact O-CB 3.37Å; P644-S647 PolarHBondContact O-N 3.43Å; P644-S647 PolarHBondContact O-OG 3.28Å; G645-S647 VanDerWaalsContact C-N 3.31Å; G645-S647 PolarHBondContact O-N 3.37Å
648E98.3Very high98.3Very high57 Ų5733.9 Ų33.927%0.26616%0.162SC..SBendtrans-125.1158.7173.8-62.7-170.2173.200110.3R137 P644 G646 M653 K656R137-E648 PolarHBondContact NH2-O 3.4Å; P644-E648 HydrophobicContact CB-CB 4.25Å; P644-E648 HydrophobicContact CB-CG 4.1Å; G646-E648 PolarHBondContact O-N 3.16Å; E648-M653 HydrophobicContact CB-CG 3.96Å; E648-K656 IonicContact OE1-NZ 2.65Å; E648-K656 PolarHBondContact OE1-NZ 3.26Å; E648-K656 IonicContact OE2-NZ 3.24Å; E648-K656 PolarHBondContact OE2-NZ 2.92Å
649D98.4Very high98.3Very high51 Ų5136.1 Ų36.127%0.27319%0.192SC..  trans-75.7140.7172.9-78.37.1000109.8R137 E493 A651 D652 M653R137-D649 IonicContact CZ-OD1 2.63Å; R137-D649 IonicContact NH1-OD1 2.67Å; R137-D649 PolarHBondContact NH1-OD1 3.21Å; R137-D649 IonicContact NH2-OD1 3.77Å; R137-D649 PolarHBondContact NH2-OD1 2.96Å; E493-D649 WeakPolarHBondContact OE1-CA 3.33Å; D649-A651 PolarHBondContact O-N 2.9Å; D649-A651 VanDerWaalsContact O-N 3.13Å; D649-D652 WeakPolarHBondContact O-CB 3.4Å; D649-D652 PolarHBondContact O-N 3.23Å; D649-M653 PolarHBondContact O-N 3.3Å; D649-M653 VanDerWaalsContact O-N 3.13Å
650A98.1Very high98.3Very high0 Ų035.2 Ų35.20%019%0.186CC..Hα-helixtrans-53.5-36.8-179.100000114.2M280 E493 F496 D652 M653 L654M280-A650 HydrophobicContact CG-CB 4.45Å; M280-A650 HydrophobicContact SD-CB 4.06Å; E493-A650 PolarHBondContact OE1-N 3.41Å; E493-A650 VanDerWaalsContact OE1-N 3.1Å; E493-A650 WeakPolarHBondContact OE2-CB 3.43Å; E493-A650 PolarHBondContact OE2-N 3.05Å; F496-A650 HydrophobicContact CB-CB 3.58Å; F496-A650 HydrophobicContact CD1-CB 3.63Å; F496-A650 HydrophobicContact CD2-CB 3.68Å; F496-A650 HydrophobicContact CE1-CB 4.23Å; F496-A650 HydrophobicContact CE2-CB 4.26Å; F496-A650 HydrophobicContact CG-CB 3.32Å; A650-D652 VanDerWaalsContact C-N 3.3Å; A650-D652 PolarHBondContact O-N 2.97Å; A650-M653 HydrophobicContact CB-CE 4.28Å; A650-M653 PolarHBondContact O-N 2.75Å; A650-L654 WeakPolarHBondContact O-CB 3.5Å; A650-L654 WeakPolarHBondContact O-CG 3.41Å; A650-L654 PolarHBondContact O-N 3.39Å
651A97.3Very high98.1Very high27 Ų2737.1 Ų37.122%0.22320%0.196CC..Hα-helixtrans-62.9-36.3177.200000112.5M280 D649 R655M280-A651 HydrophobicContact CE-CB 4.06Å; M280-A651 HydrophobicContact CG-CB 4.49Å; D649-A651 PolarHBondContact O-N 2.9Å; D649-A651 VanDerWaalsContact O-N 3.13Å; A651-R655 WeakPolarHBondContact O-CB 3.44Å; A651-R655 PolarHBondContact O-N 3.11Å
652D98.2Very high97.9Very high62 Ų6238 Ų3833%0.33220%0.201SC..Hα-helixtrans-75.2-39.6178.1-67-27.9000111.2D649 A650 R655 K656D649-D652 WeakPolarHBondContact O-CB 3.4Å; D649-D652 PolarHBondContact O-N 3.23Å; A650-D652 VanDerWaalsContact C-N 3.3Å; A650-D652 PolarHBondContact O-N 2.97Å; D652-R655 PolarHBondContact O-N 2.95Å; D652-R655 IonicContact OD1-CZ 3.56Å; D652-R655 IonicContact OD1-NH1 3.18Å; D652-R655 PolarHBondContact OD1-NH1 3.41Å; D652-R655 IonicContact OD1-NH2 3.56Å; D652-K656 VanDerWaalsContact O-CG 3.31Å; D652-K656 WeakPolarHBondContact O-CG 3.15Å; D652-K656 PolarHBondContact O-N 3.33Å
653M98.6Very high97.5Very high0 Ų042.9 Ų42.90%022%0.223CC..Hα-helixtrans-58.3-48.8172.8-67.9-166-73.700111.4V492 F496 F640 I641 P644 E648 D649 A650 R655 K656 F657V492-M653 HydrophobicContact CG1-CE 4.12Å; F496-M653 HydrophobicContact CD1-CE 3.96Å; F496-M653 HydrophobicContact CE1-CE 3.53Å; F496-M653 HydrophobicContact CZ-CE 4.32Å; F640-M653 WeakPolarHBondContact O-CB 3.46Å; I641-M653 HydrophobicContact CD1-CB 4.19Å; P644-M653 HydrophobicContact CB-CG 4.48Å; P644-M653 HydrophobicContact CB-SD 3.8Å; P644-M653 HydrophobicContact CG-CG 4.33Å; P644-M653 HydrophobicContact CG-SD 3.92Å; E648-M653 HydrophobicContact CB-CG 3.96Å; D649-M653 PolarHBondContact O-N 3.3Å; D649-M653 VanDerWaalsContact O-N 3.13Å; A650-M653 HydrophobicContact CB-CE 4.28Å; A650-M653 PolarHBondContact O-N 2.75Å; M653-R655 PolarHBondContact O-N 2.97Å; M653-K656 PolarHBondContact O-N 3.43Å; M653-F657 WeakPolarHBondContact O-CB 3.36Å; M653-F657 PolarHBondContact O-N 3.43Å
654L98.5Very high97.1Very high0 Ų041.4 Ų41.40%022%0.215CC..Hα-helixtrans-60.7-44.3175.4-76.3169.6000111.8M280 F496 F614 M618 A650 K656 F657 L658 P662M280-L654 HydrophobicContact CE-CD1 3.62Å; M280-L654 HydrophobicContact SD-CD1 3.98Å; F496-L654 HydrophobicContact CD2-CD1 4.17Å; F496-L654 HydrophobicContact CE2-CD1 3.82Å; F496-L654 HydrophobicContact CE2-CD2 3.96Å; F496-L654 HydrophobicContact CE2-CG 3.75Å; F496-L654 HydrophobicContact CZ-CG 4.41Å; F614-L654 HydrophobicContact CB-CD1 4.24Å; F614-L654 HydrophobicContact CD2-CD1 3.96Å; F614-L654 HydrophobicContact CG-CD1 4.22Å; M618-L654 HydrophobicContact CG-CD2 3.71Å; M618-L654 HydrophobicContact SD-CD2 3.45Å; M618-L654 WeakPolarHBondContact SD-CD2 3.32Å; A650-L654 WeakPolarHBondContact O-CB 3.5Å; A650-L654 WeakPolarHBondContact O-CG 3.41Å; A650-L654 PolarHBondContact O-N 3.39Å; L654-K656 VanDerWaalsContact C-N 3.34Å; L654-K656 PolarHBondContact O-N 3.01Å; L654-F657 PolarHBondContact O-N 2.92Å; L654-L658 HydrophobicContact CB-CD1 4.45Å; L654-L658 HydrophobicContact CD2-CD1 4.34Å; L654-L658 VanDerWaalsContact O-CB 3.26Å; L654-L658 WeakPolarHBondContact O-CB 3.45Å; L654-L658 VanDerWaalsContact O-CG 3.32Å; L654-L658 WeakPolarHBondContact O-CG 3.49Å; L654-L658 PolarHBondContact O-N 3.06Å; L654-P662 HydrophobicContact CB-CG 4.46Å; L654-P662 HydrophobicContact CD1-CB 4.27Å; L654-P662 HydrophobicContact CD1-CG 4.02Å
655R98.5Very high96.7Very high102 Ų10243.8 Ų43.839%0.38523%0.225SC..Hα-helixtrans-61.7-41.6178.5-167.5-171.6-57.9115.411.3112.1A651 D652 M653 G659 R660 E661A651-R655 WeakPolarHBondContact O-CB 3.44Å; A651-R655 PolarHBondContact O-N 3.11Å; D652-R655 PolarHBondContact O-N 2.95Å; D652-R655 IonicContact OD1-CZ 3.56Å; D652-R655 IonicContact OD1-NH1 3.18Å; D652-R655 PolarHBondContact OD1-NH1 3.41Å; D652-R655 IonicContact OD1-NH2 3.56Å; M653-R655 PolarHBondContact O-N 2.97Å; R655-G659 VanDerWaalsContact O-CA 3.26Å; R655-G659 WeakPolarHBondContact O-CA 3.44Å; R655-G659 PolarHBondContact O-N 3.01Å; R655-R660 WeakPolarHBondContact CA-O 3.44Å; R655-E661 IonicContact CZ-OE1 3.19Å; R655-E661 IonicContact NE-OE1 2.82Å; R655-E661 PolarHBondContact NE-OE1 2.64Å; R655-E661 IonicContact NH2-OE1 3.96Å; R655-E661 PolarHBondContact NH2-OE1 2.73Å
656K98.4Very high96.5Very high100 Ų10044.2 Ų44.244%0.43523%0.229SC..Hα-helixtrans-64.5-43.7176.3-72.7171.4-177.5176.20111.6F640 E648 D652 M653 L654F640-K656 HydrophobicContact CB-CB 4.5Å; F640-K656 HydrophobicContact CD1-CB 3.98Å; F640-K656 HydrophobicContact CD1-CD 4.48Å; F640-K656 HydrophobicContact CG-CB 4.33Å; E648-K656 IonicContact OE1-NZ 2.65Å; E648-K656 PolarHBondContact OE1-NZ 3.26Å; E648-K656 IonicContact OE2-NZ 3.24Å; E648-K656 PolarHBondContact OE2-NZ 2.92Å; D652-K656 VanDerWaalsContact O-CG 3.31Å; D652-K656 WeakPolarHBondContact O-CG 3.15Å; D652-K656 PolarHBondContact O-N 3.33Å; M653-K656 PolarHBondContact O-N 3.43Å; L654-K656 VanDerWaalsContact C-N 3.34Å; L654-K656 PolarHBondContact O-N 3.01Å
657F98.6Very high96.2Very high1 Ų144.1 Ų44.10%0.00423%0.228CC..Hα-helixtrans-73.7-38.6-178.4-175.7-112000113.2M618 R622 F623 V633 D636 Y637 F640 I641 M653 L654M618-F657 HydrophobicContact CB-CD1 4.32Å; M618-F657 HydrophobicContact CB-CE1 3.92Å; M618-F657 HydrophobicContact CE-CD1 4.31Å; M618-F657 HydrophobicContact CE-CE1 4.23Å; M618-F657 HydrophobicContact CG-CD1 3.98Å; M618-F657 HydrophobicContact CG-CE1 4.09Å; R622-F657 HydrophobicContact CB-CE1 4.01Å; R622-F657 HydrophobicContact CB-CZ 3.8Å; R622-F657 WeakPolarHBondContact CD-O 3.48Å; R622-F657 HydrophobicContact CG-CD1 4.14Å; R622-F657 HydrophobicContact CG-CE1 3.6Å; R622-F657 HydrophobicContact CG-CE2 4.31Å; R622-F657 HydrophobicContact CG-CZ 3.7Å; R622-F657 PolarHBondContact NH1-O 3.41Å; F623-F657 HydrophobicContact CD2-CZ 4.5Å; F623-F657 AromaticContact CE2-CZ 3.9Å; F623-F657 HydrophobicContact CE2-CZ 3.9Å; V633-F657 HydrophobicContact CG1-CZ 4.48Å; D636-F657 HydrophobicContact CB-CD2 4.45Å; D636-F657 HydrophobicContact CB-CE2 4.18Å; Y637-F657 VanDerWaalsContact CA-CE2 3.48Å; Y637-F657 HydrophobicContact CD2-CZ 4.44Å; F640-F657 HydrophobicContact CB-CB 4.03Å; F640-F657 HydrophobicContact CB-CD2 4.33Å; F640-F657 HydrophobicContact CD2-CD2 4.31Å; I641-F657 HydrophobicContact CD1-CB 3.72Å; I641-F657 HydrophobicContact CD1-CD1 4.34Å; I641-F657 HydrophobicContact CD1-CG 4.07Å; I641-F657 HydrophobicContact CG1-CB 4.12Å; I641-F657 HydrophobicContact CG1-CD1 4.28Å; I641-F657 HydrophobicContact CG1-CD2 4.33Å; I641-F657 HydrophobicContact CG1-CG 3.98Å; M653-F657 WeakPolarHBondContact O-CB 3.36Å; M653-F657 PolarHBondContact O-N 3.43Å; L654-F657 PolarHBondContact O-N 2.92Å
658L97.9Very high95.8Very high20 Ų2043.3 Ų43.311%0.10522%0.222CC..Hα-helixtrans-88.8-19.6-177.8-63.4173.6000113.3M618 A621 R622 L654 R660 P662M618-L658 HydrophobicContact CG-CD2 4.35Å; A621-L658 HydrophobicContact CB-CD2 4.08Å; R622-L658 HydrophobicContact CG-CD2 4.5Å; L654-L658 HydrophobicContact CB-CD1 4.45Å; L654-L658 HydrophobicContact CD2-CD1 4.34Å; L654-L658 VanDerWaalsContact O-CB 3.26Å; L654-L658 WeakPolarHBondContact O-CB 3.45Å; L654-L658 VanDerWaalsContact O-CG 3.32Å; L654-L658 WeakPolarHBondContact O-CG 3.49Å; L654-L658 PolarHBondContact O-N 3.06Å; L658-R660 HydrophobicContact CB-CG 4.11Å; L658-R660 PolarHBondContact O-N 3.31Å; L658-P662 HydrophobicContact CD1-CB 3.84Å
659G97.6Very high95.3Very high69 Ų6946.2 Ų46.271%0.71124%0.236SC*.SBendtrans71.28.3-169.500000114.1R655R655-G659 VanDerWaalsContact O-CA 3.26Å; R655-G659 WeakPolarHBondContact O-CA 3.44Å; R655-G659 PolarHBondContact O-N 3.01Å
660R97.6Very high94.9Very high85 Ų8544.6 Ų44.632%0.32123%0.228SC..SBendtrans-159.3171.5-178.657.4165.1175.578-0.2110.8D617 R655 L658D617-R660 IonicContact OD1-CZ 2.76Å; D617-R660 IonicContact OD1-NH1 2.85Å; D617-R660 IonicContact OD1-NH2 2.74Å; D617-R660 PolarHBondContact OD1-NH2 3.48Å; D617-R660 IonicContact OD2-CZ 3.98Å; D617-R660 IonicContact OD2-NH1 3.28Å; D617-R660 PolarHBondContact OD2-NH1 2.85Å; D617-R660 IonicContact OD2-NH2 3.58Å; D617-R660 PolarHBondContact OD2-NH2 3.41Å; R655-R660 WeakPolarHBondContact CA-O 3.44Å; L658-R660 HydrophobicContact CB-CG 4.11Å; L658-R660 PolarHBondContact O-N 3.31Å
661E95.6Very high94.3Very high93 Ų9345.4 Ų45.444%0.43523%0.232SC..  trans-61.9145.4167.3-66.6-62.1143.700111.3R655R655-E661 IonicContact CZ-OE1 3.19Å; R655-E661 IonicContact NE-OE1 2.82Å; R655-E661 PolarHBondContact NE-OE1 2.64Å; R655-E661 IonicContact NH2-OE1 3.96Å; R655-E661 PolarHBondContact NH2-OE1 2.73Å
662P93.3Very high93.5Very high19 Ų1947 Ų4712%0.12325%0.251CS..  trans-71.7150.4177.132.8-37000111.1M280 F614 D617 L654 L658M280-P662 HydrophobicContact CE-CG 3.99Å; F614-P662 HydrophobicContact CD1-CB 3.62Å; F614-P662 HydrophobicContact CD1-CG 4.12Å; F614-P662 HydrophobicContact CE1-CB 3.82Å; F614-P662 HydrophobicContact CE1-CG 3.91Å; F614-P662 HydrophobicContact CE2-CG 4.46Å; F614-P662 HydrophobicContact CG-CB 4.16Å; F614-P662 HydrophobicContact CZ-CB 4.48Å; F614-P662 HydrophobicContact CZ-CG 4.1Å; D617-P662 WeakPolarHBondContact OD2-CA 3.35Å; L654-P662 HydrophobicContact CB-CG 4.46Å; L654-P662 HydrophobicContact CD1-CB 4.27Å; L654-P662 HydrophobicContact CD1-CG 4.02Å; L658-P662 HydrophobicContact CD1-CB 3.84Å
663K90.8Very high92.8Very high102 Ų10245.6 Ų45.644%0.44324%0.243SC..  trans-141.7172-176.2-52.8-178.1-179.3-175.30112.4D617 E665D617-K663 PolarHBondContact OD2-N 3.06Å; K663-E665 WeakPolarHBondContact CB-OE2 3.47Å; K663-E665 WeakPolarHBondContact CD-OE2 3.34Å
664Q90Very high91.6Very high41 Ų4152.4 Ų52.419%0.19229%0.285CS..SBendtrans-94.7-9.3-172.5-62.4-177.8-5.200114.5F290 V613 A666 F667 L668F290-Q664 VanDerWaalsContact CD2-NE2 3.33Å; V613-Q664 HydrophobicContact CG1-CB 4.25Å; V613-Q664 HydrophobicContact CG1-CG 3.76Å; Q664-A666 PolarHBondContact O-N 3.18Å; Q664-F667 WeakPolarHBondContact O-CB 3.4Å; Q664-F667 PolarHBondContact O-N 2.69Å; Q664-F667 VanDerWaalsContact O-N 3.16Å; Q664-L668 HydrophobicContact CB-CD1 4.36Å; Q664-L668 WeakPolarHBondContact O-CG 3.46Å; Q664-L668 PolarHBondContact O-N 3.49Å
665E91.1Very high90.2Very high65 Ų6554.7 Ų54.730%0.30430%0.299SS..Hα-helixtrans-65.9-40.6-166.1-59.278.6-162.700112.1K663 F667 L668 Q669 V675K663-E665 WeakPolarHBondContact CB-OE2 3.47Å; K663-E665 WeakPolarHBondContact CD-OE2 3.34Å; E665-F667 VanDerWaalsContact C-N 3.3Å; E665-F667 PolarHBondContact O-N 3.01Å; E665-L668 PolarHBondContact O-N 2.79Å; E665-Q669 WeakPolarHBondContact O-CB 3.34Å; E665-Q669 VanDerWaalsContact O-CG 3.3Å; E665-Q669 WeakPolarHBondContact O-CG 3.48Å; E665-Q669 PolarHBondContact O-N 2.75Å; E665-V675 HydrophobicContact CB-CG1 4.23Å; E665-V675 HydrophobicContact CB-CG2 4.2Å; E665-V675 HydrophobicContact CG-CG1 3.66Å; E665-V675 HydrophobicContact CG-CG2 4.48Å
666A92.8Very high88.2Confident9 Ų958.2 Ų58.27%0.07432%0.319CS..Hα-helixtrans-58.4-43.217500000111.7T616 D617 Y620 Q664 S670T616-A666 HydrophobicContact CG2-CB 4.15Å; D617-A666 HydrophobicContact CB-CB 4.44Å; Y620-A666 HydrophobicContact CG-CB 4.34Å; Q664-A666 PolarHBondContact O-N 3.18Å; A666-S670 WeakPolarHBondContact O-CB 3.42Å; A666-S670 PolarHBondContact O-N 3.21Å
667F92.8Very high85.7Confident0 Ų059.1 Ų59.10%034%0.336CS..Hα-helixtrans-59.7-51.2175.1178.1-90.2000111.4L294 E612 V613 T616 Q664 E665 Q669 S670 K671L294-F667 HydrophobicContact CD1-CD1 4.1Å; L294-F667 HydrophobicContact CD1-CE1 3.7Å; E612-F667 HydrophobicContact CB-CE2 4.33Å; E612-F667 HydrophobicContact CG-CD2 4.3Å; E612-F667 HydrophobicContact CG-CE2 3.91Å; V613-F667 HydrophobicContact CB-CB 4.39Å; V613-F667 HydrophobicContact CB-CG 4.44Å; V613-F667 HydrophobicContact CG1-CB 4.47Å; V613-F667 HydrophobicContact CG2-CB 4.05Å; V613-F667 HydrophobicContact CG2-CD1 3.98Å; V613-F667 HydrophobicContact CG2-CD2 3.85Å; V613-F667 HydrophobicContact CG2-CE1 4.45Å; V613-F667 HydrophobicContact CG2-CE2 4.28Å; V613-F667 HydrophobicContact CG2-CG 3.67Å; T616-F667 HydrophobicContact CG2-CB 4.47Å; Q664-F667 WeakPolarHBondContact O-CB 3.4Å; Q664-F667 PolarHBondContact O-N 2.69Å; Q664-F667 VanDerWaalsContact O-N 3.16Å; E665-F667 VanDerWaalsContact C-N 3.3Å; E665-F667 PolarHBondContact O-N 3.01Å; F667-Q669 PolarHBondContact O-N 3.22Å; F667-S670 WeakPolarHBondContact O-CB 3.21Å; F667-S670 PolarHBondContact O-N 2.86Å; F667-S670 VanDerWaalsContact O-N 3.11Å; F667-S670 PolarHBondContact O-OG 2.7Å; F667-K671 HydrophobicContact CD1-CG 4.41Å; F667-K671 HydrophobicContact CE1-CG 3.96Å; F667-K671 HydrophobicContact CZ-CD 4.39Å; F667-K671 HydrophobicContact CZ-CG 4.09Å; F667-K671 WeakPolarHBondContact O-CG 3.41Å; F667-K671 PolarHBondContact O-N 3.31Å
668L89.1Confident83.2Confident7 Ų765.1 Ų65.14%0.03737%0.368CS..Hα-helixtrans-61.8-43.9-177.9-63.6167.9000112.1L294 K297 Q664 E665 S670 K671 G672 L673 V675L294-L668 HydrophobicContact CD1-CD2 4.2Å; K297-L668 HydrophobicContact CB-CD2 4.09Å; K297-L668 HydrophobicContact CD-CD1 3.66Å; K297-L668 HydrophobicContact CD-CD2 3.69Å; K297-L668 HydrophobicContact CD-CG 4.34Å; Q664-L668 HydrophobicContact CB-CD1 4.36Å; Q664-L668 WeakPolarHBondContact O-CG 3.46Å; Q664-L668 PolarHBondContact O-N 3.49Å; E665-L668 PolarHBondContact O-N 2.79Å; L668-S670 VanDerWaalsContact C-N 3.31Å; L668-S670 PolarHBondContact O-N 3.16Å; L668-K671 PolarHBondContact O-N 2.95Å; L668-K671 VanDerWaalsContact O-N 3.09Å; L668-G672 PolarHBondContact O-N 3.19Å; L668-L673 HydrophobicContact CB-CB 4.31Å; L668-L673 HydrophobicContact CD2-CD1 3.83Å; L668-L673 WeakPolarHBondContact O-CB 3.15Å; L668-L673 PolarHBondContact O-N 3.17Å; L668-V675 HydrophobicContact CB-CG2 3.79Å; L668-V675 HydrophobicContact CD1-CG2 4.09Å
669Q89.4Confident80.2Confident118 Ų11869.8 Ų69.855%0.55141%0.409SS*.Hα-helixtrans-61.4-40.7174.7-70.9174.4-5.600111.5E665 F667 K671 G672 V675E665-Q669 WeakPolarHBondContact O-CB 3.34Å; E665-Q669 VanDerWaalsContact O-CG 3.3Å; E665-Q669 WeakPolarHBondContact O-CG 3.48Å; E665-Q669 PolarHBondContact O-N 2.75Å; F667-Q669 PolarHBondContact O-N 3.22Å; Q669-K671 PolarHBondContact O-N 3.24Å; Q669-K671 VanDerWaalsContact O-N 3.15Å; Q669-G672 PolarHBondContact O-N 3.13Å; Q669-V675 HydrophobicContact CG-CG2 4.08Å
670S88.2Confident77.4Confident16 Ų1669.8 Ų69.811%0.11241%0.409CS..Hα-helixtrans-64.1-17.817782.30000113.5L540 A666 F667 L668L540-S670 WeakPolarHBondContact CD2-O 3.47Å; A666-S670 WeakPolarHBondContact O-CB 3.42Å; A666-S670 PolarHBondContact O-N 3.21Å; F667-S670 WeakPolarHBondContact O-CB 3.21Å; F667-S670 PolarHBondContact O-N 2.86Å; F667-S670 VanDerWaalsContact O-N 3.11Å; F667-S670 PolarHBondContact O-OG 2.7Å; L668-S670 VanDerWaalsContact C-N 3.31Å; L668-S670 PolarHBondContact O-N 3.16Å
671K86.1Confident74.3Confident18 Ų1870.9 Ų70.98%0.07843%0.426CS..THydrogen-bonded Turntrans-97.98.3173.7-52.3-48-177.3-176.50113.3T543 E612 F667 L668 Q669 L673T543-K671 HydrophobicContact CG2-CB 4.17Å; T543-K671 HydrophobicContact CG2-CD 4.12Å; T543-K671 WeakPolarHBondContact OG1-CD 3.36Å; E612-K671 IonicContact OE1-NZ 3.68Å; E612-K671 PolarHBondContact OE1-NZ 2.79Å; F667-K671 HydrophobicContact CD1-CG 4.41Å; F667-K671 HydrophobicContact CE1-CG 3.96Å; F667-K671 HydrophobicContact CZ-CD 4.39Å; F667-K671 HydrophobicContact CZ-CG 4.09Å; F667-K671 WeakPolarHBondContact O-CG 3.41Å; F667-K671 PolarHBondContact O-N 3.31Å; L668-K671 PolarHBondContact O-N 2.95Å; L668-K671 VanDerWaalsContact O-N 3.09Å; Q669-K671 PolarHBondContact O-N 3.24Å; Q669-K671 VanDerWaalsContact O-N 3.15Å; K671-L673 VanDerWaalsContact C-N 3.33Å
672G80.4Confident71.4Confident61 Ų6172 Ų7263%0.62944%0.44SS*.THydrogen-bonded Turntrans76.714.4-178.800000114.7L668 Q669L668-G672 PolarHBondContact O-N 3.19Å; Q669-G672 PolarHBondContact O-N 3.13Å
673L83.3Confident68.3Low32 Ų3275.9 Ų75.917%0.16847%0.467CS..  trans-88.9138.6177.4-59.4175.7000111K297 L298 L301 L668 K671K297-L673 HydrophobicContact CB-CD1 4.3Å; K297-L673 WeakPolarHBondContact O-CD1 3.36Å; L298-L673 HydrophobicContact CD2-CD1 3.99Å; L298-L673 HydrophobicContact CG-CD1 4.49Å; L301-L673 HydrophobicContact CB-CD2 4.35Å; L668-L673 HydrophobicContact CB-CB 4.31Å; L668-L673 HydrophobicContact CD2-CD1 3.83Å; L668-L673 WeakPolarHBondContact O-CB 3.15Å; L668-L673 PolarHBondContact O-N 3.17Å; K671-L673 VanDerWaalsContact C-N 3.33Å
674T73.2Confident65.7Low143 Ų14377.2 Ų77.288%0.87749%0.486SS*.  trans-75.2132.9170.441.80000110.4
675V69.2Low63.1Low48 Ų4884 Ų8429%0.29154%0.536SS..  trans-102.3113.2173.3-1760000107E665 L668 Q669E665-V675 HydrophobicContact CB-CG1 4.23Å; E665-V675 HydrophobicContact CB-CG2 4.2Å; E665-V675 HydrophobicContact CG-CG1 3.66Å; E665-V675 HydrophobicContact CG-CG2 4.48Å; L668-V675 HydrophobicContact CB-CG2 3.79Å; L668-V675 HydrophobicContact CD1-CG2 4.09Å; Q669-V675 HydrophobicContact CG-CG2 4.08Å
676E57Low61.7Low175 Ų17585 Ų8582%0.81855%0.548SS*.PPolyproline II helixtrans-65.2132.3166.7-71-168.417100108.5D678E676-D678 PolarHBondContact O-N 3.37Å
677P46.9Very low60Low119 Ų11988.9 Ų88.977%0.77357%0.573SS**PPolyproline II helixtrans-59.9130.7175.78-7.3000109.3A679P677-A679 PolarHBondContact O-N 2.69Å; P677-A679 VanDerWaalsContact O-N 3.16Å
678D44.3Very low58.2Low128 Ų12893.9 Ų93.968%0.68461%0.605SS**PPolyproline II helixtrans-48.5124.5172.1-106.5-20.1000108.9E676 G680 T681E676-D678 PolarHBondContact O-N 3.37Å; D678-G680 PolarHBondContact O-N 3.32Å; D678-T681 PolarHBondContact O-N 2.75Å
679A36.8Very low56.4Low117 Ų11799 Ų9997%0.96764%0.638SS**THydrogen-bonded Turntrans-63.116.3-173.700000115.1P677P677-A679 PolarHBondContact O-N 2.69Å; P677-A679 VanDerWaalsContact O-N 3.16Å
680G38.7Very low54.4Low69 Ų6997.8 Ų97.871%0.71164%0.643SS**THydrogen-bonded Turntrans-124.93.6179.800000115.3D678D678-G680 PolarHBondContact O-N 3.32Å
681T32.4Very low52.1Low109 Ų109103.3 Ų103.367%0.66968%0.679SS**SBendtrans-103.1109.9176.5-35.30000109.6D678 C683D678-T681 PolarHBondContact O-N 2.75Å; T681-C683 PolarHBondContact O-N 2.73Å
682P33.9Very low49.7Very low115 Ų115109.4 Ų109.475%0.74772%0.722SS**  trans-63.3129.917510.6-6.9000109.4
683C28.6Very low47.3Very low101 Ų101113.1 Ų113.168%0.68273%0.729SS**  trans-56.9129.7172-170.20000109.2T681 C685T681-C683 PolarHBondContact O-N 2.73Å; C683-C685 PolarHBondContact O-N 2.79Å
684P36.4Very low44.3Very low130 Ų130119.8 Ų119.884%0.84478%0.776SS**  trans-79.282.6169.632.1-28.7000107.8
685C34.4Very low41.7Very low184 Ų184117.7 Ų117.7100%1.24377%0.766SS**  trans-97.60155.746.80000110.4C683C683-C685 PolarHBondContact O-N 2.79Å

Retrieved 685 of 685 residues in 403.2 ms (Link to these results)

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