A0A3Q0KBK4_SCHMA Loading...

Protein SERAC1 AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KBK4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 623 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
1M41.8Very low86.6Confident244 Ų24451.5 Ų51.5100%1.20227%0.265SS*.  0130.40-70.7177.6178.800106.8
2S61.3Low87.3Confident86 Ų8652.4 Ų52.460%0.60126%0.262SS*.PPolyproline II helixtrans-60.4143.2169.645.70000108.9
3R78.6Confident88.1Confident151 Ų15148.5 Ų48.557%0.5724%0.243SC*.PPolyproline II helixtrans-63.4140.5173.4-172.9178.6177.9171.4-5.9108.8T28R3-T28 VanDerWaalsContact CZ-OG1 3.25Å; R3-T28 VanDerWaalsContact NH1-CB 3.34Å; R3-T28 PolarHBondContact NH1-OG1 3.08Å; R3-T28 VanDerWaalsContact NH2-CG2 3.32Å; R3-T28 PolarHBondContact NH2-OG1 2.74Å
4P89.9Confident88.6Confident55 Ų5546.4 Ų46.436%0.35723%0.233SC..PPolyproline II helixtrans-62.7145.1173.626.3-34.3000110.9L560 S562P4-L560 CarbonylContact C-O 3.58Å; P4-L560 VanDerWaalsContact CA-O 3.29Å; P4-L560 WeakPolarHBondContact CA-O 3.46Å; P4-L560 WeakPolarHBondContact CB-O 3.28Å; P4-S562 WeakPolarHBondContact CG-OG 3.29Å
5I95.2Very high89.1Confident10 Ų1045.5 Ų45.55%0.05123%0.227CC..EExtended strand (participates in β ladder)trans-69.9124.2171.4-53.2170.8000107.3N521 P522 I525 Y556 L560 L561 S562I5-N521 HydrophobicContact CD1-CB 3.89Å; I5-P522 HydrophobicContact CG2-CG 4.26Å; I5-I525 HydrophobicContact CG2-CD1 3.81Å; I5-I525 HydrophobicContact CG2-CG1 3.78Å; I5-Y556 HydrophobicContact CD1-CD1 4.04Å; I5-Y556 HydrophobicContact CD1-CG 4.04Å; I5-L560 PolarHBondContact N-O 2.86Å; I5-L561 HydrophobicContact CB-CD2 4.14Å; I5-L561 HydrophobicContact CD1-CD2 4.4Å; I5-S562 PolarHBondContact O-N 3.2Å
6S96.3Very high89.5Confident15 Ų1542.6 Ų42.611%0.10521%0.213CC..EExtended strand (participates in β ladder)trans-79.1128.4175.4-56.40000109.5I525S6-I525 PolarHBondContact O-N 2.89Å
7V98Very high89.9Confident0 Ų040.1 Ų40.10%020%0.201CC..EExtended strand (participates in β ladder)trans-111.8113.1172.3-174.80000106.8I525 I527 L549 L552 L561 S562 V563 T564V7-I525 CarbonylContact C-O 3.16Å; V7-I525 WeakPolarHBondContact CA-O 3.34Å; V7-I525 HydrophobicContact CB-CB 4.46Å; V7-I525 HydrophobicContact CG1-CB 4.38Å; V7-I525 HydrophobicContact CG1-CG2 4.18Å; V7-I525 HydrophobicContact CG2-CB 4.15Å; V7-I525 HydrophobicContact CG2-CD1 4.12Å; V7-I527 HydrophobicContact CG1-CD1 3.74Å; V7-I527 HydrophobicContact CG1-CG1 4.45Å; V7-L549 HydrophobicContact CG1-CD2 4.15Å; V7-L552 HydrophobicContact CG1-CD1 4.4Å; V7-L561 HydrophobicContact CG2-CB 4.31Å; V7-L561 HydrophobicContact CG2-CD2 3.94Å; V7-S562 PolarHBondContact N-O 2.99Å; V7-V563 HydrophobicContact CB-CG2 4.22Å; V7-V563 CarbonylContact O-C 3.59Å; V7-V563 WeakPolarHBondContact O-CA 3.48Å; V7-T564 PolarHBondContact O-N 2.63Å
8V98Very high90.1Very high0 Ų042.6 Ų42.60%021%0.214CC..EExtended strand (participates in β ladder)trans-110.3122.5179.3-177.10000108.6V10 Y19 M524 I525 T526 I527 F590V8-V10 HydrophobicContact CG1-CG1 3.85Å; V8-Y19 HydrophobicContact CB-CD1 4.27Å; V8-Y19 HydrophobicContact CB-CG 4.36Å; V8-Y19 HydrophobicContact CG1-CD1 3.54Å; V8-Y19 HydrophobicContact CG1-CD2 3.73Å; V8-Y19 HydrophobicContact CG1-CE1 3.75Å; V8-Y19 HydrophobicContact CG1-CE2 3.9Å; V8-Y19 HydrophobicContact CG1-CG 3.57Å; V8-Y19 HydrophobicContact CG2-CD1 3.74Å; V8-Y19 HydrophobicContact CG2-CE1 4.39Å; V8-Y19 HydrophobicContact CG2-CG 4.16Å; V8-M524 HydrophobicContact CB-CE 4.19Å; V8-M524 HydrophobicContact CG2-CE 3.58Å; V8-I525 PolarHBondContact N-O 2.67Å; V8-T526 CarbonylContact O-C 3.47Å; V8-T526 WeakPolarHBondContact O-CA 3.44Å; V8-I527 PolarHBondContact O-N 3.39Å; V8-F590 HydrophobicContact CG2-CD2 4.46Å; V8-F590 HydrophobicContact CG2-CE2 4.02Å; V8-F590 HydrophobicContact CG2-CZ 4.28Å
9V98.5Very high90.4Very high0 Ų040.7 Ų40.70%021%0.205CC..EExtended strand (participates in β ladder)trans-106.3118.8174.1-170.90000108.1I527 R529 T564 L565 D566 Y567V9-I527 CarbonylContact C-O 3.51Å; V9-I527 VanDerWaalsContact CA-O 3.31Å; V9-I527 WeakPolarHBondContact CA-O 3.47Å; V9-I527 HydrophobicContact CB-CB 4.43Å; V9-I527 HydrophobicContact CG1-CB 4.3Å; V9-I527 HydrophobicContact CG1-CG2 4.16Å; V9-I527 HydrophobicContact CG2-CB 4.1Å; V9-I527 HydrophobicContact CG2-CD1 4.11Å; V9-R529 HydrophobicContact CG1-CG 3.86Å; V9-T564 PolarHBondContact N-O 3.29Å; V9-L565 HydrophobicContact CB-CD2 3.59Å; V9-L565 HydrophobicContact CG1-CD2 4.33Å; V9-L565 HydrophobicContact CG2-CD2 3.41Å; V9-L565 VanDerWaalsContact CG2-CD2 3.41Å; V9-D566 PolarHBondContact O-N 3.18Å; V9-Y567 HydrophobicContact CB-CE1 4.14Å; V9-Y567 HydrophobicContact CG1-CD1 4.14Å; V9-Y567 HydrophobicContact CG1-CE1 3.74Å
10V98.1Very high90.7Very high0 Ų038.7 Ų38.70%020%0.195CC..EExtended strand (participates in β ladder)trans-117.3163.9177.3-59.30000110.4V8 R12 E15 V16 Y19 I527 R529 D566V8-V10 HydrophobicContact CG1-CG1 3.85Å; V10-R12 VanDerWaalsContact CG2-O 3.24Å; V10-R12 WeakPolarHBondContact CG2-O 3.46Å; V10-E15 HydrophobicContact CB-CB 3.91Å; V10-E15 HydrophobicContact CG1-CB 4.09Å; V10-E15 HydrophobicContact CG2-CB 4.05Å; V10-V16 HydrophobicContact CG2-CG1 3.39Å; V10-Y19 HydrophobicContact CG1-CD2 4.08Å; V10-Y19 HydrophobicContact CG1-CE2 3.89Å; V10-I527 PolarHBondContact N-O 2.98Å; V10-R529 WeakPolarHBondContact O-CG 3.43Å; V10-R529 PolarHBondContact O-N 2.91Å; V10-D566 WeakPolarHBondContact CA-O 3.28Å
11E97.2Very high90.9Very high6 Ų637.8 Ų37.83%0.02819%0.189CC..SBendtrans-76.1-61.4176.5-176.254.3-141.300111.1E15 R529 S530 V531 Y532E11-E15 PolarHBondContact N-OE2 3.01Å; E11-R529 PolarHBondContact O-N 3.34Å; E11-R529 WeakPolarHBondContact OE2-CD 3.12Å; E11-R529 IonicContact OE2-CZ 3.62Å; E11-R529 IonicContact OE2-NE 3.86Å; E11-R529 IonicContact OE2-NH1 2.72Å; E11-R529 PolarHBondContact OE2-NH1 2.93Å; E11-S530 PolarHBondContact O-N 3.23Å; E11-V531 WeakPolarHBondContact OE1-CA 3.34Å; E11-V531 WeakPolarHBondContact OE1-CB 3.5Å; E11-V531 PolarHBondContact OE1-N 3.26Å; E11-Y532 HydrophobicContact CG-CD2 3.3Å; E11-Y532 HydrophobicContact CG-CE2 3.61Å; E11-Y532 HydrophobicContact CG-CG 3.91Å; E11-Y532 PolarHBondContact OE1-N 3.14Å
12R95.1Very high93.3Very high62 Ų6230.3 Ų30.323%0.23415%0.147CC..SBendtrans-94136.4-179.2-66.2178.9-69.3-146.5-10.2110.3V10 N14 E15 I68 E440V10-R12 VanDerWaalsContact CG2-O 3.24Å; V10-R12 WeakPolarHBondContact CG2-O 3.46Å; R12-N14 VanDerWaalsContact C-N 3.31Å; R12-N14 WeakPolarHBondContact CB-OD1 3.12Å; R12-N14 PolarHBondContact O-N 3.2Å; R12-E15 HydrophobicContact CB-CG 4.02Å; R12-E15 IonicContact CZ-OE1 3.61Å; R12-E15 PolarHBondContact N-OE2 2.93Å; R12-E15 VanDerWaalsContact N-OE2 3.09Å; R12-E15 IonicContact NE-OE1 2.82Å; R12-E15 PolarHBondContact NE-OE1 3.43Å; R12-E15 IonicContact NH2-OE1 2.71Å; R12-E15 PolarHBondContact NH2-OE1 2.95Å; R12-E15 VanDerWaalsContact O-CB 3.24Å; R12-E15 WeakPolarHBondContact O-CB 3.38Å; R12-E15 PolarHBondContact O-N 3.43Å; R12-I68 HydrophobicContact CB-CG2 3.9Å; R12-I68 HydrophobicContact CG-CG2 4.45Å; R12-E440 PolarHBondContact NH1-O 3.28Å
13H96.9Very high94.8Very high1 Ų126.3 Ų26.31%0.00512%0.12CC..G310 helixtrans-56.6-40.4-173.8-163.4-167.6000114.7E15 V16 H38 D40 D44 I68 W71 D173 D175 A528H13-E15 PolarHBondContact O-N 3.46Å; H13-E15 VanDerWaalsContact O-N 3.1Å; H13-V16 WeakPolarHBondContact O-CG1 3.34Å; H13-V16 WeakPolarHBondContact O-CG2 3.45Å; H13-V16 PolarHBondContact O-N 2.95Å; H13-H38 AromaticContact CE1-CE1 3.28Å; H13-H38 PolarHBondContact CE1-CE1 2.79Å; H13-H38 AromaticContact CE1-NE2 3.7Å; H13-H38 AromaticContact NE2-CE1 3.58Å; H13-D40 IonicContact CE1-OD2 2.74Å; H13-D40 PolarHBondContact CE1-OD2 2.92Å; H13-D40 IonicContact ND1-OD2 2.78Å; H13-D40 IonicContact NE2-OD2 3.3Å; H13-D44 IonicContact CE1-OD2 2.64Å; H13-D44 PolarHBondContact CE1-OD2 3.35Å; H13-D44 IonicContact ND1-OD2 3.81Å; H13-D44 PolarHBondContact ND1-OD2 3.47Å; H13-I68 HydrophobicContact CB-CB 4.16Å; H13-I68 HydrophobicContact CB-CG2 4.24Å; H13-W71 AromaticContact CD2-CE2 3.86Å; H13-W71 AromaticContact CD2-CZ2 3.73Å; H13-W71 AromaticContact CD2-NE1 3.69Å; H13-W71 AromaticContact CE1-CE2 3.88Å; H13-W71 AromaticContact CE1-CZ2 3.68Å; H13-W71 AromaticContact CE1-NE1 3.48Å; H13-W71 PolarHBondContact CE1-NE1 3.1Å; H13-W71 AromaticContact CG-NE1 3.38Å; H13-W71 AromaticContact ND1-CE2 3.97Å; H13-W71 AromaticContact ND1-NE1 3.17Å; H13-W71 PolarHBondContact ND1-NE1 3.39Å; H13-W71 VanDerWaalsContact ND1-NE1 3.17Å; H13-W71 AromaticContact NE2-CE2 3.77Å; H13-W71 AromaticContact NE2-CZ2 3.3Å; H13-W71 VanDerWaalsContact NE2-CZ2 3.3Å; H13-W71 WeakPolarHBondContact NE2-CZ2 3.36Å; H13-W71 AromaticContact NE2-NE1 3.75Å; H13-D173 IonicContact CD2-OD2 2.81Å; H13-D173 IonicContact CE1-OD2 2.69Å; H13-D173 IonicContact NE2-OD1 2.76Å; H13-D173 IonicContact NE2-OD2 2.88Å; H13-D173 PolarHBondContact NE2-OD2 3.48Å; H13-D175 IonicContact ND1-OD2 3.46Å; H13-A528 HydrophobicContact CB-CB 3.73Å; H13-A528 VanDerWaalsContact CD2-CB 3.45Å; H13-A528 WeakPolarHBondContact CD2-CB 3.28Å
14N95.1Very high95.5Very high20 Ų2019.8 Ų19.811%0.10710%0.096CC..G310 helixtrans-64.6-17.117866.3-63.2000114.5R12 V16 L17 I66 S67 I68 W71R12-N14 VanDerWaalsContact C-N 3.31Å; R12-N14 WeakPolarHBondContact CB-OD1 3.12Å; R12-N14 PolarHBondContact O-N 3.2Å; N14-V16 PolarHBondContact O-N 3.14Å; N14-L17 WeakPolarHBondContact O-CB 3.46Å; N14-L17 PolarHBondContact O-N 3.03Å; N14-I66 HydrophobicContact CB-CD1 4.22Å; N14-I66 HydrophobicContact CB-CG1 4.37Å; N14-S67 WeakPolarHBondContact CB-O 3.37Å; N14-I68 WeakPolarHBondContact OD1-CG2 3.38Å; N14-W71 HydrophobicContact CB-CB 3.84Å; N14-W71 HydrophobicContact CB-CG 4.17Å
15E95.9Very high95.6Very high32 Ų3219.4 Ų19.415%0.1510%0.102CC..G310 helixtrans-68.1-24.4178.3-65.8169.916700112V10 E11 R12 H13 L17 N18V10-E15 HydrophobicContact CB-CB 3.91Å; V10-E15 HydrophobicContact CG1-CB 4.09Å; V10-E15 HydrophobicContact CG2-CB 4.05Å; E11-E15 PolarHBondContact N-OE2 3.01Å; R12-E15 HydrophobicContact CB-CG 4.02Å; R12-E15 IonicContact CZ-OE1 3.61Å; R12-E15 PolarHBondContact N-OE2 2.93Å; R12-E15 VanDerWaalsContact N-OE2 3.09Å; R12-E15 IonicContact NE-OE1 2.82Å; R12-E15 PolarHBondContact NE-OE1 3.43Å; R12-E15 IonicContact NH2-OE1 2.71Å; R12-E15 PolarHBondContact NH2-OE1 2.95Å; R12-E15 VanDerWaalsContact O-CB 3.24Å; R12-E15 WeakPolarHBondContact O-CB 3.38Å; R12-E15 PolarHBondContact O-N 3.43Å; H13-E15 PolarHBondContact O-N 3.46Å; H13-E15 VanDerWaalsContact O-N 3.1Å; E15-L17 PolarHBondContact O-N 3Å; E15-L17 VanDerWaalsContact O-N 3.12Å; E15-N18 WeakPolarHBondContact O-CB 3.26Å; E15-N18 PolarHBondContact O-N 3.27Å
16V96.7Very high95.4Very high0 Ų020.7 Ų20.70%011%0.111CC..Hα-helixtrans-56.4-31175.8-56.10000111.6V10 H13 N14 N18 Y19 I20 W71 T526V10-V16 HydrophobicContact CG2-CG1 3.39Å; H13-V16 WeakPolarHBondContact O-CG1 3.34Å; H13-V16 WeakPolarHBondContact O-CG2 3.45Å; H13-V16 PolarHBondContact O-N 2.95Å; N14-V16 PolarHBondContact O-N 3.14Å; V16-N18 VanDerWaalsContact C-N 3.25Å; V16-N18 PolarHBondContact O-N 3.49Å; V16-Y19 WeakPolarHBondContact O-CB 3.21Å; V16-Y19 PolarHBondContact O-N 3.19Å; V16-I20 HydrophobicContact CG2-CD1 4.12Å; V16-I20 WeakPolarHBondContact O-CG1 3.3Å; V16-I20 PolarHBondContact O-N 3.47Å; V16-W71 HydrophobicContact CG2-CD2 4.16Å; V16-W71 HydrophobicContact CG2-CE3 3.79Å; V16-W71 HydrophobicContact CG2-CH2 3.63Å; V16-W71 HydrophobicContact CG2-CZ2 4.03Å; V16-W71 HydrophobicContact CG2-CZ3 3.47Å; V16-W71 VanDerWaalsContact CG2-CZ3 3.47Å; V16-T526 HydrophobicContact CB-CG2 3.9Å; V16-T526 HydrophobicContact CG1-CG2 4.21Å
17L95.7Very high95.2Very high0 Ų029 Ų290%015%0.146CC..Hα-helixtrans-63.2-30.5-178.8-178.763000112.1N14 E15 Y19 I20 Y21 M63 I66 W71 M75N14-L17 WeakPolarHBondContact O-CB 3.46Å; N14-L17 PolarHBondContact O-N 3.03Å; E15-L17 PolarHBondContact O-N 3Å; E15-L17 VanDerWaalsContact O-N 3.12Å; L17-Y19 VanDerWaalsContact C-N 3.3Å; L17-Y19 PolarHBondContact O-N 2.92Å; L17-I20 PolarHBondContact O-N 3.41Å; L17-Y21 HydrophobicContact CD1-CD1 3.64Å; L17-Y21 HydrophobicContact CD1-CE1 3.35Å; L17-Y21 HydrophobicContact CD1-CE2 4.26Å; L17-Y21 HydrophobicContact CD1-CG 4.24Å; L17-Y21 HydrophobicContact CD2-CE2 4.49Å; L17-Y21 HydrophobicContact CG-CD1 4.39Å; L17-Y21 HydrophobicContact CG-CD2 4.48Å; L17-Y21 HydrophobicContact CG-CE1 4.24Å; L17-Y21 HydrophobicContact CG-CE2 4.31Å; L17-Y21 WeakPolarHBondContact O-CB 3.44Å; L17-Y21 PolarHBondContact O-N 2.86Å; L17-M63 VanDerWaalsContact C-CE 3.49Å; L17-M63 HydrophobicContact CB-CE 3.72Å; L17-M63 HydrophobicContact CD2-CE 4.09Å; L17-M63 HydrophobicContact CD2-SD 3.81Å; L17-M63 HydrophobicContact CG-CE 3.71Å; L17-M63 HydrophobicContact CG-SD 4Å; L17-I66 HydrophobicContact CD2-CD1 3.59Å; L17-W71 HydrophobicContact CB-CE3 4.32Å; L17-M75 HydrophobicContact CD1-CG 3.37Å; L17-M75 HydrophobicContact CD1-SD 3.49Å; L17-M75 WeakPolarHBondContact CD1-SD 3.39Å
18N94Very high94.7Very high84 Ų8430.7 Ų30.745%0.44916%0.156SC..Hα-helixtrans-61-43.9173.9-75.6-55.9000110.8E15 V16 R22 M63E15-N18 WeakPolarHBondContact O-CB 3.26Å; E15-N18 PolarHBondContact O-N 3.27Å; V16-N18 VanDerWaalsContact C-N 3.25Å; V16-N18 PolarHBondContact O-N 3.49Å; N18-R22 WeakPolarHBondContact O-CB 3.34Å; N18-R22 PolarHBondContact O-N 3.14Å; N18-M63 HydrophobicContact CB-CE 3.94Å; N18-M63 WeakPolarHBondContact OD1-CE 3.42Å
19Y96Very high94.5Very high8 Ų831.1 Ų31.13%0.03116%0.159CC..Hα-helixtrans-71.8-40.6-179.4-71.8-94.3000111.7V8 V10 V16 L17 R22 A23 T564 D566 F590V8-Y19 HydrophobicContact CB-CD1 4.27Å; V8-Y19 HydrophobicContact CB-CG 4.36Å; V8-Y19 HydrophobicContact CG1-CD1 3.54Å; V8-Y19 HydrophobicContact CG1-CD2 3.73Å; V8-Y19 HydrophobicContact CG1-CE1 3.75Å; V8-Y19 HydrophobicContact CG1-CE2 3.9Å; V8-Y19 HydrophobicContact CG1-CG 3.57Å; V8-Y19 HydrophobicContact CG2-CD1 3.74Å; V8-Y19 HydrophobicContact CG2-CE1 4.39Å; V8-Y19 HydrophobicContact CG2-CG 4.16Å; V10-Y19 HydrophobicContact CG1-CD2 4.08Å; V10-Y19 HydrophobicContact CG1-CE2 3.89Å; V16-Y19 WeakPolarHBondContact O-CB 3.21Å; V16-Y19 PolarHBondContact O-N 3.19Å; L17-Y19 VanDerWaalsContact C-N 3.3Å; L17-Y19 PolarHBondContact O-N 2.92Å; Y19-R22 PolarHBondContact O-N 3.11Å; Y19-A23 WeakPolarHBondContact O-CB 3.36Å; Y19-A23 PolarHBondContact O-N 3.34Å; Y19-T564 HydrophobicContact CE1-CG2 4.25Å; Y19-D566 HydrophobicContact CE2-CB 4.44Å; Y19-D566 WeakPolarHBondContact CE2-OD2 3.47Å; Y19-D566 VanDerWaalsContact OH-CB 3.28Å; Y19-D566 WeakPolarHBondContact OH-CB 3.49Å; Y19-D566 PolarHBondContact OH-OD2 3.14Å; Y19-F590 AromaticContact CD1-CD1 3.4Å; Y19-F590 HydrophobicContact CD1-CD1 3.4Å; Y19-F590 AromaticContact CD1-CE1 3.35Å; Y19-F590 HydrophobicContact CD1-CE1 3.35Å; Y19-F590 HydrophobicContact CD1-CE2 4.46Å; Y19-F590 HydrophobicContact CD1-CG 4.03Å; Y19-F590 AromaticContact CD1-CZ 3.91Å; Y19-F590 HydrophobicContact CD1-CZ 3.91Å; Y19-F590 HydrophobicContact CE1-CB 4.46Å; Y19-F590 AromaticContact CE1-CD1 3.66Å; Y19-F590 HydrophobicContact CE1-CD1 3.66Å; Y19-F590 HydrophobicContact CE1-CE1 4.11Å; Y19-F590 HydrophobicContact CE1-CG 4.05Å; Y19-F590 HydrophobicContact CG-CE1 4.23Å
20I95.9Very high94.2Very high0 Ų033.9 Ų33.90%018%0.178CC..Hα-helixtrans-61.2-50174.9-65.3171.1000110.1V16 L17 R22 A23 I24 I29 W71 M75 I171 M524 T526V16-I20 HydrophobicContact CG2-CD1 4.12Å; V16-I20 WeakPolarHBondContact O-CG1 3.3Å; V16-I20 PolarHBondContact O-N 3.47Å; L17-I20 PolarHBondContact O-N 3.41Å; I20-R22 VanDerWaalsContact C-N 3.3Å; I20-R22 PolarHBondContact O-N 3.42Å; I20-A23 WeakPolarHBondContact O-CB 3.25Å; I20-A23 PolarHBondContact O-N 2.77Å; I20-A23 VanDerWaalsContact O-N 3.08Å; I20-I24 HydrophobicContact CG2-CD1 4.08Å; I20-I24 WeakPolarHBondContact O-CG1 3.06Å; I20-I24 PolarHBondContact O-N 3.42Å; I20-I29 HydrophobicContact CG2-CD1 4.04Å; I20-W71 HydrophobicContact CD1-CZ3 3.98Å; I20-M75 HydrophobicContact CD1-CE 4.38Å; I20-M75 HydrophobicContact CD1-SD 4.04Å; I20-M75 HydrophobicContact CG2-SD 3.94Å; I20-I171 HydrophobicContact CD1-CD1 4.09Å; I20-I171 HydrophobicContact CG1-CD1 4.12Å; I20-I171 HydrophobicContact CG2-CD1 3.88Å; I20-M524 HydrophobicContact CG1-CE 4.43Å; I20-M524 HydrophobicContact CG1-SD 4.26Å; I20-T526 HydrophobicContact CD1-CG2 4.48Å; I20-T526 HydrophobicContact CG1-CG2 4.32Å
21Y94.2Very high94Very high20 Ų2038.1 Ų38.18%0.07820%0.196CC..Hα-helixtrans-63.6-35.8178.4-79.97.9000112.4L17 I24 G25 P59 L62 M75 H80L17-Y21 HydrophobicContact CD1-CD1 3.64Å; L17-Y21 HydrophobicContact CD1-CE1 3.35Å; L17-Y21 HydrophobicContact CD1-CE2 4.26Å; L17-Y21 HydrophobicContact CD1-CG 4.24Å; L17-Y21 HydrophobicContact CD2-CE2 4.49Å; L17-Y21 HydrophobicContact CG-CD1 4.39Å; L17-Y21 HydrophobicContact CG-CD2 4.48Å; L17-Y21 HydrophobicContact CG-CE1 4.24Å; L17-Y21 HydrophobicContact CG-CE2 4.31Å; L17-Y21 WeakPolarHBondContact O-CB 3.44Å; L17-Y21 PolarHBondContact O-N 2.86Å; Y21-I24 HydrophobicContact CD1-CD1 4.21Å; Y21-I24 PolarHBondContact O-N 2.7Å; Y21-G25 PolarHBondContact O-N 3.07Å; Y21-P59 HydrophobicContact CD2-CB 4.06Å; Y21-P59 HydrophobicContact CE2-CB 4.01Å; Y21-L62 HydrophobicContact CE2-CD2 4.47Å; Y21-M75 HydrophobicContact CE1-CG 4.15Å; Y21-H80 AromaticContact CE1-CD2 3.64Å; Y21-H80 AromaticContact CE1-NE2 3.96Å
22R92.9Very high93.9Very high86 Ų8641.2 Ų41.233%0.32522%0.219SC..Hα-helixtrans-65.1-40.4172.2-173.860.7176.4-179.70.4112N18 Y19 I20 G25 S26 F590 Q591N18-R22 WeakPolarHBondContact O-CB 3.34Å; N18-R22 PolarHBondContact O-N 3.14Å; Y19-R22 PolarHBondContact O-N 3.11Å; I20-R22 VanDerWaalsContact C-N 3.3Å; I20-R22 PolarHBondContact O-N 3.42Å; R22-G25 PolarHBondContact O-N 2.75Å; R22-S26 WeakPolarHBondContact O-CB 3.15Å; R22-S26 PolarHBondContact O-N 3.06Å; R22-S26 PolarHBondContact O-OG 2.86Å; R22-F590 HydrophobicContact CB-CE1 4.41Å; R22-F590 HydrophobicContact CG-CE1 4.28Å; R22-Q591 PolarHBondContact NE-O 3.32Å; R22-Q591 PolarHBondContact NH2-O 3.5Å
23A93.4Very high93.9Very high3 Ų339.4 Ų39.43%0.02522%0.22CC..Hα-helixtrans-65.4-39.6176.400000111.5Y19 I20 S26 K27 T28 I29 M524Y19-A23 WeakPolarHBondContact O-CB 3.36Å; Y19-A23 PolarHBondContact O-N 3.34Å; I20-A23 WeakPolarHBondContact O-CB 3.25Å; I20-A23 PolarHBondContact O-N 2.77Å; I20-A23 VanDerWaalsContact O-N 3.08Å; A23-S26 WeakPolarHBondContact CA-OG 3.31Å; A23-S26 PolarHBondContact O-OG 2.92Å; A23-S26 VanDerWaalsContact O-OG 3.07Å; A23-K27 PolarHBondContact O-N 2.85Å; A23-T28 WeakPolarHBondContact O-CB 3.43Å; A23-T28 PolarHBondContact O-N 2.89Å; A23-I29 HydrophobicContact CB-CD1 3.77Å; A23-I29 HydrophobicContact CB-CG1 3.73Å; A23-I29 HydrophobicContact CB-CG2 4.23Å; A23-I29 PolarHBondContact O-N 3.31Å; A23-M524 HydrophobicContact CB-SD 4.07Å
24I93.5Very high94Very high14 Ų1439.4 Ų39.47%0.07222%0.22CC..Hα-helixtrans-63-51.7172.2-68.4171.5000110.3I20 Y21 S26 K27 I29 F31 L34 H80I20-I24 HydrophobicContact CG2-CD1 4.08Å; I20-I24 WeakPolarHBondContact O-CG1 3.06Å; I20-I24 PolarHBondContact O-N 3.42Å; Y21-I24 HydrophobicContact CD1-CD1 4.21Å; Y21-I24 PolarHBondContact O-N 2.7Å; I24-S26 VanDerWaalsContact C-N 3.29Å; I24-S26 PolarHBondContact O-N 3.22Å; I24-K27 WeakPolarHBondContact O-CA 3.4Å; I24-K27 PolarHBondContact O-N 2.82Å; I24-I29 HydrophobicContact CB-CG1 4.47Å; I24-I29 HydrophobicContact CG1-CD1 3.77Å; I24-I29 HydrophobicContact CG1-CG1 3.67Å; I24-F31 HydrophobicContact CG2-CB 4.46Å; I24-F31 HydrophobicContact CG2-CD2 3.68Å; I24-F31 HydrophobicContact CG2-CE2 4.42Å; I24-F31 HydrophobicContact CG2-CG 4.47Å; I24-L34 HydrophobicContact CD1-CD1 4.42Å; I24-H80 HydrophobicContact CD1-CB 4.15Å
25G91.4Very high94.1Very high46 Ų4639.6 Ų39.647%0.47422%0.219SC..Hα-helixtrans-63.1-32.4-177.700000113.7Y21 R22 K27Y21-G25 PolarHBondContact O-N 3.07Å; R22-G25 PolarHBondContact O-N 2.75Å; G25-K27 VanDerWaalsContact C-N 3.25Å; G25-K27 PolarHBondContact O-N 3.22Å
26S91.4Very high94.3Very high37 Ų3738 Ų3826%0.25921%0.212SC..THydrogen-bonded Turntrans-81.1-0.5172.962.30000114R22 A23 I24 T28R22-S26 WeakPolarHBondContact O-CB 3.15Å; R22-S26 PolarHBondContact O-N 3.06Å; R22-S26 PolarHBondContact O-OG 2.86Å; A23-S26 WeakPolarHBondContact CA-OG 3.31Å; A23-S26 PolarHBondContact O-OG 2.92Å; A23-S26 VanDerWaalsContact O-OG 3.07Å; I24-S26 VanDerWaalsContact C-N 3.29Å; I24-S26 PolarHBondContact O-N 3.22Å; S26-T28 PolarHBondContact O-N 2.87Å; S26-T28 PolarHBondContact OG-OG1 3.48Å
27K90.5Very high94.4Very high189 Ų18938 Ų3882%0.82221%0.212SC*.THydrogen-bonded Turntrans5729.6-175-51.8-178.4179.7-173.40112.8A23 I24 G25A23-K27 PolarHBondContact O-N 2.85Å; I24-K27 WeakPolarHBondContact O-CA 3.4Å; I24-K27 PolarHBondContact O-N 2.82Å; G25-K27 VanDerWaalsContact C-N 3.25Å; G25-K27 PolarHBondContact O-N 3.22Å
28T89.3Confident94.5Very high36 Ų3638 Ų3822%0.22121%0.212CC..SBendtrans-76.4-39.1174.2-62.10000110.6R3 A23 S26R3-T28 VanDerWaalsContact CZ-OG1 3.25Å; R3-T28 VanDerWaalsContact NH1-CB 3.34Å; R3-T28 PolarHBondContact NH1-OG1 3.08Å; R3-T28 VanDerWaalsContact NH2-CG2 3.32Å; R3-T28 PolarHBondContact NH2-OG1 2.74Å; A23-T28 WeakPolarHBondContact O-CB 3.43Å; A23-T28 PolarHBondContact O-N 2.89Å; S26-T28 PolarHBondContact O-N 2.87Å; S26-T28 PolarHBondContact OG-OG1 3.48Å
29I92.8Very high94.7Very high10 Ų1034.1 Ų34.15%0.05119%0.191CC..SBendtrans-118.8158.717265.8176.2000109.5I20 A23 I24 L34 I171 C523 M524I20-I29 HydrophobicContact CG2-CD1 4.04Å; A23-I29 HydrophobicContact CB-CD1 3.77Å; A23-I29 HydrophobicContact CB-CG1 3.73Å; A23-I29 HydrophobicContact CB-CG2 4.23Å; A23-I29 PolarHBondContact O-N 3.31Å; I24-I29 HydrophobicContact CB-CG1 4.47Å; I24-I29 HydrophobicContact CG1-CD1 3.77Å; I24-I29 HydrophobicContact CG1-CG1 3.67Å; I29-L34 HydrophobicContact CD1-CD1 4.08Å; I29-I171 HydrophobicContact CD1-CD1 4.03Å; I29-C523 HydrophobicContact CG2-CB 3.83Å; I29-C523 VanDerWaalsContact CG2-SG 3.55Å; I29-M524 HydrophobicContact CG2-CB 4.37Å
30S92.8Very high94.8Very high58 Ų5833.7 Ų33.741%0.40619%0.19SC..  trans-61147-179-61.70000111.9S32 L34S30-S32 VanDerWaalsContact C-N 3.34Å; S30-L34 WeakPolarHBondContact O-CD1 3.33Å
31F94.2Very high94.9Very high88 Ų8833.7 Ų33.739%0.38619%0.19SC..SBendtrans-70.8-29.7177.2179.5-93.6000113I24 H80I24-F31 HydrophobicContact CG2-CB 4.46Å; I24-F31 HydrophobicContact CG2-CD2 3.68Å; I24-F31 HydrophobicContact CG2-CE2 4.42Å; I24-F31 HydrophobicContact CG2-CG 4.47Å; F31-H80 AromaticContact CE2-CE1 3.61Å; F31-H80 AromaticContact CZ-CE1 3.77Å; F31-H80 PolarHBondContact O-ND1 3.3Å
32S95.3Very high95Very high71 Ų7133 Ų3350%0.49719%0.187SC..SBendtrans-148.2167.7-178.659.40000111S30 L34 G79S30-S32 VanDerWaalsContact C-N 3.34Å; S32-L34 VanDerWaalsContact C-N 3.28Å; S32-L34 PolarHBondContact O-N 3.42Å; S32-G79 VanDerWaalsContact CB-O 3.23Å; S32-G79 WeakPolarHBondContact CB-O 3.47Å
33G94.9Very high95.2Very high25 Ų2528.9 Ų28.926%0.25817%0.172SC..  trans7320.6-178.900000113.5H80G33-H80 PolarHBondContact N-O 2.87Å
34L97.8Very high95.3Very high1 Ų129 Ų291%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-74.5135.8174.4-63.1171.6000109.5I24 I29 S30 S32 H80 V81 D82 I171I24-L34 HydrophobicContact CD1-CD1 4.42Å; I29-L34 HydrophobicContact CD1-CD1 4.08Å; S30-L34 WeakPolarHBondContact O-CD1 3.33Å; S32-L34 VanDerWaalsContact C-N 3.28Å; S32-L34 PolarHBondContact O-N 3.42Å; L34-H80 WeakPolarHBondContact CB-O 3.45Å; L34-H80 PolarHBondContact N-O 2.9Å; L34-V81 HydrophobicContact CB-CG2 4.35Å; L34-V81 CarbonylContact O-C 3.5Å; L34-V81 VanDerWaalsContact O-CA 3.26Å; L34-V81 WeakPolarHBondContact O-CA 3.24Å; L34-D82 PolarHBondContact O-N 2.86Å; L34-D82 VanDerWaalsContact O-OD1 3.1Å; L34-I171 HydrophobicContact CD1-CD1 4.17Å
35K98.5Very high95.4Very high23 Ų2328.4 Ų28.410%0.117%0.169CC..EExtended strand (participates in β ladder)trans-92.2144.6164.7-43.6-66.2169.8-169.60108.9D82 H83 V164 L165 Q168 S169 F170 I171K35-D82 VanDerWaalsContact CD-OD1 3.31Å; K35-D82 WeakPolarHBondContact CD-OD1 3.48Å; K35-D82 VanDerWaalsContact CE-OD1 3.28Å; K35-D82 WeakPolarHBondContact CE-OD1 3.49Å; K35-D82 IonicContact NZ-OD1 2.99Å; K35-D82 PolarHBondContact NZ-OD1 3.02Å; K35-D82 IonicContact NZ-OD2 3.11Å; K35-D82 PolarHBondContact NZ-OD2 3.19Å; K35-H83 CarbonylContact C-O 3.59Å; K35-H83 WeakPolarHBondContact CA-O 3.22Å; K35-H83 HydrophobicContact CD-CB 3.41Å; K35-H83 VanDerWaalsContact CD-CB 3.41Å; K35-V164 HydrophobicContact CD-CG1 4.2Å; K35-L165 HydrophobicContact CB-CD2 3.53Å; K35-L165 HydrophobicContact CG-CD2 4.02Å; K35-Q168 HydrophobicContact CG-CB 3.83Å; K35-Q168 HydrophobicContact CG-CG 4.48Å; K35-S169 PolarHBondContact N-O 3.11Å; K35-F170 HydrophobicContact CB-CB 3.76Å; K35-F170 CarbonylContact O-C 3.52Å; K35-F170 WeakPolarHBondContact O-CA 3.04Å; K35-F170 WeakPolarHBondContact O-CB 3.29Å; K35-I171 PolarHBondContact O-N 2.79Å
36L98.7Very high95.5Very high0 Ų026.2 Ų26.20%015%0.146CC..EExtended strand (participates in β ladder)trans-111.7114.2172.1-175.666.4000108.4H38 W71 I72 M75 V81 H83 V84 I85 I171 D173L36-H38 HydrophobicContact CG-CB 4.35Å; L36-W71 HydrophobicContact CD2-CH2 4.32Å; L36-I72 HydrophobicContact CD2-CD1 3.79Å; L36-I72 HydrophobicContact CD2-CG1 3.99Å; L36-I72 HydrophobicContact CD2-CG2 3.84Å; L36-M75 HydrophobicContact CD2-CE 4.35Å; L36-V81 HydrophobicContact CB-CG1 3.97Å; L36-H83 PolarHBondContact N-O 3.08Å; L36-V84 HydrophobicContact CB-CG2 4.47Å; L36-V84 HydrophobicContact CD2-CG1 4.48Å; L36-I85 PolarHBondContact O-N 2.92Å; L36-I171 HydrophobicContact CD1-CB 3.92Å; L36-I171 HydrophobicContact CD1-CG2 3.98Å; L36-D173 HydrophobicContact CD1-CB 3.82Å
37L98.7Very high95.6Very high0 Ų025.1 Ų25.10%014%0.137CC..EExtended strand (participates in β ladder)trans-95.2104.2168.6175.861000107.3F39 I85 M87 L165 F170 I171 L172 D173 L516 L519L37-F39 HydrophobicContact CD1-CE2 4.07Å; L37-F39 HydrophobicContact CD1-CZ 4.37Å; L37-F39 HydrophobicContact CD2-CE2 3.84Å; L37-F39 HydrophobicContact CD2-CZ 4.41Å; L37-F39 HydrophobicContact CG-CD2 4.31Å; L37-F39 HydrophobicContact CG-CE2 3.69Å; L37-F39 HydrophobicContact CG-CZ 4.41Å; L37-I85 HydrophobicContact CD1-CB 4.06Å; L37-I85 HydrophobicContact CD1-CG2 3.82Å; L37-M87 HydrophobicContact CD1-CG 3.76Å; L37-L165 HydrophobicContact CB-CD1 4.4Å; L37-L165 HydrophobicContact CD2-CD1 4.03Å; L37-F170 HydrophobicContact CB-CD2 4.05Å; L37-F170 HydrophobicContact CB-CE2 4.43Å; L37-F170 HydrophobicContact CD2-CE2 4.16Å; L37-I171 PolarHBondContact N-O 2.85Å; L37-L172 HydrophobicContact CD2-CD1 4Å; L37-L172 HydrophobicContact CG-CD1 4.09Å; L37-D173 PolarHBondContact O-N 2.89Å; L37-L516 HydrophobicContact CD2-CD2 4.01Å; L37-L519 HydrophobicContact CD2-CD1 3.69Å
38H98.8Very high95.7Very high0 Ų016.3 Ų16.30%010%0.099CC..EExtended strand (participates in β ladder)trans-107.8117.5-169.4-172.832000110.9H13 L36 D40 D44 I85 W86 M87 D173H13-H38 AromaticContact CE1-CE1 3.28Å; H13-H38 PolarHBondContact CE1-CE1 2.79Å; H13-H38 AromaticContact CE1-NE2 3.7Å; H13-H38 AromaticContact NE2-CE1 3.58Å; L36-H38 HydrophobicContact CG-CB 4.35Å; H38-D40 WeakPolarHBondContact CE1-CB 3.22Å; H38-D40 IonicContact CE1-OD2 2.94Å; H38-D40 PolarHBondContact CE1-OD2 2.71Å; H38-D40 WeakPolarHBondContact NE2-CB 3.46Å; H38-D40 IonicContact NE2-OD2 3.82Å; H38-D40 PolarHBondContact NE2-OD2 3.24Å; H38-D44 IonicContact CD2-OD2 3.21Å; H38-D44 IonicContact CE1-OD2 2.82Å; H38-D44 IonicContact NE2-OD2 3.16Å; H38-D44 PolarHBondContact NE2-OD2 3.4Å; H38-I85 PolarHBondContact N-O 3.26Å; H38-W86 AromaticContact CD2-CD1 3.65Å; H38-W86 WeakPolarHBondContact O-CA 3.29Å; H38-M87 PolarHBondContact O-N 3.05Å; H38-D173 IonicContact CE1-OD2 3.91Å; H38-D173 PolarHBondContact CE1-OD2 2.86Å; H38-D173 IonicContact ND1-OD2 3.14Å; H38-D173 PolarHBondContact ND1-OD2 3.05Å
39F98.7Very high95.5Very high1 Ų120 Ų200%0.00412%0.118CC..EExtended strand (participates in β ladder)trans-108115.1171.8-69.8-89.6000109.4L37 M87 I148 L172 D173 I174 D175 T178 M512 L515 L516L37-F39 HydrophobicContact CD1-CE2 4.07Å; L37-F39 HydrophobicContact CD1-CZ 4.37Å; L37-F39 HydrophobicContact CD2-CE2 3.84Å; L37-F39 HydrophobicContact CD2-CZ 4.41Å; L37-F39 HydrophobicContact CG-CD2 4.31Å; L37-F39 HydrophobicContact CG-CE2 3.69Å; L37-F39 HydrophobicContact CG-CZ 4.41Å; F39-M87 WeakPolarHBondContact CA-O 3.32Å; F39-M87 HydrophobicContact CD1-CB 3.33Å; F39-M87 HydrophobicContact CD1-CG 4.17Å; F39-M87 HydrophobicContact CE1-CB 3.39Å; F39-M87 HydrophobicContact CE1-CE 4.43Å; F39-M87 HydrophobicContact CE1-CG 3.77Å; F39-M87 HydrophobicContact CG-CB 4.01Å; F39-M87 HydrophobicContact CZ-CB 4.09Å; F39-M87 HydrophobicContact CZ-CG 4.03Å; F39-I148 HydrophobicContact CD1-CD1 3.84Å; F39-I148 HydrophobicContact CD1-CG1 3.98Å; F39-I148 HydrophobicContact CE1-CD1 4.43Å; F39-I148 HydrophobicContact CE1-CG1 4.17Å; F39-L172 HydrophobicContact CD2-CD1 3.7Å; F39-L172 HydrophobicContact CE2-CD1 3.61Å; F39-D173 PolarHBondContact N-O 2.79Å; F39-I174 HydrophobicContact CB-CG1 4.37Å; F39-I174 HydrophobicContact CB-CG2 4.31Å; F39-I174 HydrophobicContact CD2-CG1 4.25Å; F39-I174 CarbonylContact O-C 3.08Å; F39-I174 WeakPolarHBondContact O-CA 3.44Å; F39-D175 PolarHBondContact O-N 2.74Å; F39-T178 HydrophobicContact CB-CG2 4.33Å; F39-T178 PolarHBondContact O-OG1 3.17Å; F39-M512 HydrophobicContact CB-CE 3.77Å; F39-M512 HydrophobicContact CD1-CE 3.55Å; F39-M512 HydrophobicContact CD1-CG 4.3Å; F39-M512 HydrophobicContact CD1-SD 4.49Å; F39-M512 HydrophobicContact CD2-CE 4.26Å; F39-M512 HydrophobicContact CD2-SD 4.46Å; F39-M512 HydrophobicContact CE1-CB 4.44Å; F39-M512 HydrophobicContact CE1-CE 4.12Å; F39-M512 HydrophobicContact CE1-CG 3.89Å; F39-M512 HydrophobicContact CE2-CG 4.22Å; F39-M512 HydrophobicContact CG-CE 3.61Å; F39-M512 HydrophobicContact CG-SD 4.37Å; F39-M512 HydrophobicContact CZ-CG 3.84Å; F39-L515 HydrophobicContact CZ-CD2 4.06Å; F39-L516 HydrophobicContact CE2-CD2 4.24Å
40D98.4Very high95.3Very high0 Ų019.8 Ų19.80%012%0.117CC..  trans-164.2150.4-173.1-162-45.6000110.6H13 H38 H42 W86 P89 D175 D177 T178H13-D40 IonicContact CE1-OD2 2.74Å; H13-D40 PolarHBondContact CE1-OD2 2.92Å; H13-D40 IonicContact ND1-OD2 2.78Å; H13-D40 IonicContact NE2-OD2 3.3Å; H38-D40 WeakPolarHBondContact CE1-CB 3.22Å; H38-D40 IonicContact CE1-OD2 2.94Å; H38-D40 PolarHBondContact CE1-OD2 2.71Å; H38-D40 WeakPolarHBondContact NE2-CB 3.46Å; H38-D40 IonicContact NE2-OD2 3.82Å; H38-D40 PolarHBondContact NE2-OD2 3.24Å; D40-H42 WeakPolarHBondContact CB-O 3.36Å; D40-H42 VanDerWaalsContact CG-O 3.24Å; D40-H42 PolarHBondContact O-N 2.92Å; D40-H42 WeakPolarHBondContact OD1-CA 3.32Å; D40-H42 WeakPolarHBondContact OD1-CB 3.5Å; D40-H42 IonicContact OD1-CD2 2.65Å; D40-H42 PolarHBondContact OD1-N 2.82Å; D40-W86 PolarHBondContact O-NE1 2.9Å; D40-P89 WeakPolarHBondContact O-CD 3.41Å; D40-D175 HydrophobicContact CB-CB 4.15Å; D40-D175 VanDerWaalsContact CG-CB 3.46Å; D40-D175 WeakPolarHBondContact OD2-CB 3.44Å; D40-D177 VanDerWaalsContact OD1-OD1 3.06Å; D40-T178 WeakPolarHBondContact CA-OG1 3.45Å; D40-T178 PolarHBondContact N-OG1 3.49Å
41S97.2Very high95.1Very high0 Ų020.7 Ų20.70%012%0.117CC..SBendtrans-68.7-18.3167-71.40000112.7W91 S92 Q94 D177 T181 P496S41-W91 PolarHBondContact OG-NE1 3.39Å; S41-S92 VanDerWaalsContact CA-OG 3.31Å; S41-S92 WeakPolarHBondContact CA-OG 3.35Å; S41-S92 WeakPolarHBondContact O-CB 3.39Å; S41-S92 PolarHBondContact O-OG 3.16Å; S41-Q94 PolarHBondContact O-OE1 2.93Å; S41-D177 VanDerWaalsContact CB-OD1 3.31Å; S41-D177 WeakPolarHBondContact CB-OD1 3.5Å; S41-D177 WeakPolarHBondContact CB-OD2 3.46Å; S41-D177 PolarHBondContact N-OD1 3.1Å; S41-D177 PolarHBondContact OG-O 3.38Å; S41-T181 WeakPolarHBondContact OG-CG2 3.18Å; S41-P496 WeakPolarHBondContact O-CG 3.45Å
42H96.3Very high95Very high4 Ų416.5 Ų16.52%0.01910%0.099CC..SBendtrans-119.9150.6-177.5-60.4-66.6000112.2D40 W86 Q94 D177 L436 Y535D40-H42 WeakPolarHBondContact CB-O 3.36Å; D40-H42 VanDerWaalsContact CG-O 3.24Å; D40-H42 PolarHBondContact O-N 2.92Å; D40-H42 WeakPolarHBondContact OD1-CA 3.32Å; D40-H42 WeakPolarHBondContact OD1-CB 3.5Å; D40-H42 IonicContact OD1-CD2 2.65Å; D40-H42 PolarHBondContact OD1-N 2.82Å; H42-W86 VanDerWaalsContact C-CZ2 3.47Å; H42-W86 PolarHBondContact O-NE1 2.91Å; H42-Q94 PolarHBondContact ND1-OE1 3.2Å; H42-D177 IonicContact CD2-OD2 3.51Å; H42-D177 PolarHBondContact CD2-OD2 2.87Å; H42-D177 IonicContact NE2-OD2 3.76Å; H42-D177 PolarHBondContact NE2-OD2 3.5Å; H42-L436 HydrophobicContact CB-CD1 4.49Å; H42-Y535 AromaticContact NE2-CD1 3.26Å; H42-Y535 VanDerWaalsContact NE2-CD1 3.26Å; H42-Y535 WeakPolarHBondContact NE2-CD1 3.28Å; H42-Y535 AromaticContact NE2-CE1 3.6Å; H42-Y535 AromaticContact NE2-CG 3.97Å
43P96.4Very high94.7Very high1 Ų115.4 Ų15.41%0.0069%0.091CC..  trans-78.2-21.3-179.2-16.528.5000116.2M45 W86 Q94 L95 Y122P43-M45 HydrophobicContact CB-CB 4.29Å; P43-M45 WeakPolarHBondContact O-CG 3.43Å; P43-M45 PolarHBondContact O-N 2.81Å; P43-W86 HydrophobicContact CB-CD2 4.07Å; P43-W86 HydrophobicContact CB-CE3 4.06Å; P43-W86 HydrophobicContact CB-CH2 4.42Å; P43-W86 HydrophobicContact CB-CZ2 4.35Å; P43-W86 HydrophobicContact CB-CZ3 4.28Å; P43-W86 HydrophobicContact CG-CD2 4.24Å; P43-W86 HydrophobicContact CG-CE3 3.96Å; P43-W86 HydrophobicContact CG-CH2 3.54Å; P43-W86 HydrophobicContact CG-CZ2 3.76Å; P43-W86 HydrophobicContact CG-CZ3 3.66Å; P43-Q94 HydrophobicContact CG-CB 3.93Å; P43-L95 HydrophobicContact CB-CD1 3.65Å; P43-L95 HydrophobicContact CB-CG 4.34Å; P43-L95 HydrophobicContact CG-CD1 3.85Å; P43-L95 HydrophobicContact CG-CG 4Å; P43-Y122 HydrophobicContact CB-CE1 4.37Å; P43-Y122 HydrophobicContact CB-CE2 4.28Å; P43-Y122 HydrophobicContact CG-CD2 4.19Å; P43-Y122 HydrophobicContact CG-CE1 4.46Å; P43-Y122 HydrophobicContact CG-CE2 3.58Å
44D96.1Very high94.4Very high4 Ų415.8 Ų15.82%0.0219%0.086CC..  trans46.631.4-172.2-41.1-53.6000115.9H13 H38 E69 I72H13-D44 IonicContact CE1-OD2 2.64Å; H13-D44 PolarHBondContact CE1-OD2 3.35Å; H13-D44 IonicContact ND1-OD2 3.81Å; H13-D44 PolarHBondContact ND1-OD2 3.47Å; H38-D44 IonicContact CD2-OD2 3.21Å; H38-D44 IonicContact CE1-OD2 2.82Å; H38-D44 IonicContact NE2-OD2 3.16Å; H38-D44 PolarHBondContact NE2-OD2 3.4Å; D44-E69 CarbonylContact C-O 3.57Å; D44-E69 VanDerWaalsContact CA-O 3.28Å; D44-E69 WeakPolarHBondContact CA-O 3.49Å; D44-I72 HydrophobicContact CB-CD1 3.89Å; D44-I72 HydrophobicContact CB-CG1 4.3Å; D44-I72 WeakPolarHBondContact O-CB 3.49Å
45M96.2Very high94Very high2 Ų215.9 Ų15.91%0.019%0.087CC..  trans-100.320.7179.1-82-161.961.100112.6P43 E69 T73 I76 I118 Y122 F123 F141 L143P43-M45 HydrophobicContact CB-CB 4.29Å; P43-M45 WeakPolarHBondContact O-CG 3.43Å; P43-M45 PolarHBondContact O-N 2.81Å; M45-E69 PolarHBondContact N-O 2.84Å; M45-T73 HydrophobicContact CB-CG2 4.25Å; M45-T73 HydrophobicContact CG-CG2 4.5Å; M45-T73 WeakPolarHBondContact O-CG2 3.33Å; M45-I76 HydrophobicContact CE-CD1 4.47Å; M45-I118 HydrophobicContact CE-CD1 3.96Å; M45-Y122 HydrophobicContact CB-CE1 3.83Å; M45-Y122 PolarHBondContact N-OH 2.87Å; M45-F123 HydrophobicContact CB-CE1 4.33Å; M45-F123 HydrophobicContact CB-CZ 4.33Å; M45-F123 HydrophobicContact CE-CE1 4.34Å; M45-F123 HydrophobicContact CE-CZ 3.91Å; M45-F123 WeakPolarHBondContact O-CE1 3.46Å; M45-F141 HydrophobicContact CE-CE2 3.82Å; M45-F141 HydrophobicContact CE-CZ 3.86Å; M45-L143 HydrophobicContact SD-CD1 3.75Å; M45-L143 HydrophobicContact SD-CD2 4.3Å
46G93.1Very high93.5Very high0 Ų019 Ų190%010%0.104CC..  trans-56.3157.4169.600000111.7E69 N70 T73G46-E69 VanDerWaalsContact CA-O 3.26Å; G46-E69 WeakPolarHBondContact CA-O 3.27Å; G46-E69 PolarHBondContact N-O 2.9Å; G46-N70 VanDerWaalsContact C-CB 3.48Å; G46-N70 WeakPolarHBondContact O-CA 3.29Å; G46-N70 WeakPolarHBondContact O-CB 3.38Å; G46-T73 VanDerWaalsContact O-CG2 3.32Å; G46-T73 WeakPolarHBondContact O-CG2 3.45Å; G46-T73 PolarHBondContact O-OG1 2.92Å
47I93.8Very high93Very high14 Ų1428.6 Ų28.67%0.07214%0.14CC..  trans-109113.3-178.9-59.9-67.3000107.9T73 I105 L114 V116 V128I47-T73 HydrophobicContact CD1-CG2 3.8Å; I47-I105 HydrophobicContact CD1-CD1 4.03Å; I47-L114 HydrophobicContact CD1-CD2 4.32Å; I47-L114 HydrophobicContact CG2-CB 3.92Å; I47-L114 HydrophobicContact CG2-CD2 4.23Å; I47-L114 HydrophobicContact CG2-CG 4.15Å; I47-L114 WeakPolarHBondContact CG2-O 3.47Å; I47-V116 HydrophobicContact CD1-CB 4.14Å; I47-V116 HydrophobicContact CD1-CG1 4.13Å; I47-V116 HydrophobicContact CG1-CG1 4.16Å; I47-V128 HydrophobicContact CB-CB 3.88Å; I47-V128 HydrophobicContact CB-CG1 3.92Å; I47-V128 HydrophobicContact CB-CG2 4Å; I47-V128 HydrophobicContact CG1-CB 3.87Å; I47-V128 HydrophobicContact CG1-CG1 4.45Å; I47-V128 HydrophobicContact CG1-CG2 3.62Å; I47-V128 HydrophobicContact CG2-CB 4.2Å; I47-V128 HydrophobicContact CG2-CG1 4.21Å
48P91.1Very high92.5Very high4 Ų431.5 Ų31.53%0.02616%0.156CC..  trans-67.5144.5-179.525.5-30.4000111.1V50 N70 T73 P74P48-V50 HydrophobicContact CB-CG1 4.27Å; P48-V50 HydrophobicContact CB-CG2 4.11Å; P48-V50 HydrophobicContact CG-CG2 3.91Å; P48-V50 PolarHBondContact O-N 2.94Å; P48-N70 HydrophobicContact CB-CB 4.48Å; P48-T73 WeakPolarHBondContact CD-OG1 3.28Å; P48-P74 HydrophobicContact CG-CG 3.85Å
49D86.3Confident91.8Very high115 Ų11532.8 Ų32.862%0.61516%0.164SC*.SBendtrans-76.969.1176-168.124.5000111.1R113D49-R113 WeakPolarHBondContact OD1-CD 3.46Å; D49-R113 IonicContact OD1-CZ 3.71Å; D49-R113 IonicContact OD1-NE 3.41Å; D49-R113 PolarHBondContact OD1-NE 3.01Å; D49-R113 IonicContact OD1-NH1 3.36Å; D49-R113 PolarHBondContact OD1-NH1 3.45Å; D49-R113 IonicContact OD1-NH2 2.9Å; D49-R113 IonicContact OD2-CZ 3.3Å; D49-R113 IonicContact OD2-NH1 3.17Å; D49-R113 PolarHBondContact OD2-NH1 3.23Å; D49-R113 IonicContact OD2-NH2 3.77Å
50V87.8Confident91.3Very high5 Ų539 Ų393%0.0319%0.193CC..  trans-133153.3-178.4-58.80000111.5P48 I55 L62 K65P48-V50 HydrophobicContact CB-CG1 4.27Å; P48-V50 HydrophobicContact CB-CG2 4.11Å; P48-V50 HydrophobicContact CG-CG2 3.91Å; P48-V50 PolarHBondContact O-N 2.94Å; V50-I55 HydrophobicContact CG2-CD1 3.88Å; V50-I55 HydrophobicContact CG2-CG1 3.78Å; V50-L62 HydrophobicContact CG2-CD1 4.39Å; V50-K65 HydrophobicContact CG1-CB 3.71Å; V50-K65 HydrophobicContact CG1-CD 3.59Å; V50-K65 HydrophobicContact CG1-CG 4.32Å
51D89.7Confident90.7Very high76 Ų7642.9 Ų42.941%0.40621%0.211SC..BIsolated β-bridgetrans-72.3138.7172.5-69-20.2000110.1S53 E54D51-S53 PolarHBondContact O-N 3.47Å; D51-S53 VanDerWaalsContact O-N 3.12Å; D51-E54 WeakPolarHBondContact O-CB 3.32Å; D51-E54 PolarHBondContact O-N 2.82Å
52C91.6Very high90.3Very high0 Ų042.9 Ų42.90%021%0.211CC..Hα-helixtrans-56-33.8178.9-78.60000113.1E54 I55 Y77 E107 K112 L114C52-E54 PolarHBondContact O-N 3.26Å; C52-I55 PolarHBondContact O-N 3.06Å; C52-Y77 HydrophobicContact CB-CE1 3.59Å; C52-Y77 WeakPolarHBondContact CB-OH 3.43Å; C52-E107 HydrophobicContact CB-CB 3.98Å; C52-E107 HydrophobicContact CB-CG 3.99Å; C52-E107 VanDerWaalsContact SG-CA 3.55Å; C52-E107 VanDerWaalsContact SG-CB 3.58Å; C52-K112 PolarHBondContact N-O 2.67Å; C52-L114 VanDerWaalsContact SG-CA 3.57Å
53S89.4Confident90Very high49 Ų4944.3 Ų44.334%0.34322%0.218SC..Hα-helixtrans-66.3-26.1178.777.60000113.7D51 R57D51-S53 PolarHBondContact O-N 3.47Å; D51-S53 VanDerWaalsContact O-N 3.12Å; S53-R57 VanDerWaalsContact O-CB 3.3Å; S53-R57 WeakPolarHBondContact O-CB 3.33Å; S53-R57 VanDerWaalsContact O-CG 3.26Å; S53-R57 WeakPolarHBondContact O-CG 3.45Å; S53-R57 PolarHBondContact O-N 2.91Å
54E88.2Confident89.6Confident32 Ų3250.5 Ų50.515%0.1525%0.245CC..Hα-helixtrans-73.6-42.4178.9-169.9172.1154.300110.9D51 C52 L56 R57 D58 Q61 K65D51-E54 WeakPolarHBondContact O-CB 3.32Å; D51-E54 PolarHBondContact O-N 2.82Å; C52-E54 PolarHBondContact O-N 3.26Å; E54-L56 PolarHBondContact O-N 3.19Å; E54-R57 PolarHBondContact O-N 3.47Å; E54-D58 PolarHBondContact O-N 3.16Å; E54-Q61 HydrophobicContact CG-CB 4.36Å; E54-Q61 WeakPolarHBondContact OE1-CB 3.4Å; E54-K65 VanDerWaalsContact OE1-CD 3.29Å; E54-K65 WeakPolarHBondContact OE1-CD 3.38Å; E54-K65 WeakPolarHBondContact OE1-CE 3.39Å; E54-K65 IonicContact OE1-NZ 2.79Å; E54-K65 PolarHBondContact OE1-NZ 2.92Å; E54-K65 IonicContact OE2-NZ 3.64Å; E54-K65 PolarHBondContact OE2-NZ 2.92Å
55I88.9Confident89.2Confident4 Ų454.9 Ų54.92%0.02126%0.264CS..Hα-helixtrans-53.1-41.9177.5-60.7171.2000111.3V50 C52 L62 P74 Y77 L114V50-I55 HydrophobicContact CG2-CD1 3.88Å; V50-I55 HydrophobicContact CG2-CG1 3.78Å; C52-I55 PolarHBondContact O-N 3.06Å; I55-L62 HydrophobicContact CG1-CD1 3.93Å; I55-L62 HydrophobicContact CG2-CD2 4.19Å; I55-P74 HydrophobicContact CG2-CB 3.96Å; I55-Y77 HydrophobicContact CB-CD1 4.18Å; I55-Y77 HydrophobicContact CD1-CD1 3.86Å; I55-Y77 HydrophobicContact CG2-CD1 4.03Å; I55-L114 HydrophobicContact CD1-CB 4.35Å; I55-L114 HydrophobicContact CD1-CD1 4.19Å; I55-L114 HydrophobicContact CD1-CD2 3.83Å; I55-L114 HydrophobicContact CD1-CG 4.37Å
56L88.1Confident88.9Confident87 Ų8755.2 Ų55.246%0.45527%0.266SS..Hα-helixtrans-86.2-25.6-174.1-59.2179000113.9E54 Y77 A78E54-L56 PolarHBondContact O-N 3.19Å; L56-Y77 HydrophobicContact CD1-CE1 4.04Å; L56-Y77 HydrophobicContact CD2-CD1 4.32Å; L56-Y77 HydrophobicContact CD2-CE1 4.28Å; L56-Y77 HydrophobicContact CG-CD1 4.46Å; L56-Y77 HydrophobicContact CG-CE1 4.01Å; L56-A78 HydrophobicContact CD2-CB 4.22Å
57R88.6Confident88.8Confident202 Ų20256 Ų5676%0.76227%0.271SS*.Hα-helixtrans-106.1-32.2-169.9-67.6178.2-179.5157.62.4113.5S53 E54S53-R57 VanDerWaalsContact O-CB 3.3Å; S53-R57 WeakPolarHBondContact O-CB 3.33Å; S53-R57 VanDerWaalsContact O-CG 3.26Å; S53-R57 WeakPolarHBondContact O-CG 3.45Å; S53-R57 PolarHBondContact O-N 2.91Å; E54-R57 PolarHBondContact O-N 3.47Å
58D87.6Confident88.8Confident62 Ų6255.9 Ų55.933%0.33227%0.27SS..  trans-134.577.2-171.1-162.1-23.4000111.3E54 E60 Q61 L62E54-D58 PolarHBondContact O-N 3.16Å; D58-E60 PolarHBondContact O-N 3.17Å; D58-E60 PolarHBondContact OD1-N 2.98Å; D58-Q61 HydrophobicContact CB-CB 4.16Å; D58-Q61 HydrophobicContact CB-CG 4.32Å; D58-Q61 PolarHBondContact O-N 3.45Å; D58-Q61 PolarHBondContact OD1-N 3.33Å; D58-Q61 WeakPolarHBondContact OD2-CG 3.34Å; D58-L62 PolarHBondContact O-N 2.96Å
59P85.3Confident88.8Confident27 Ų2755.9 Ų55.918%0.17527%0.27CS..Hα-helixtrans-55.9-32175.7-26.335.5000112.8Y21 L62 M63 Y613Y21-P59 HydrophobicContact CD2-CB 4.06Å; Y21-P59 HydrophobicContact CE2-CB 4.01Å; P59-L62 WeakPolarHBondContact O-CB 3.47Å; P59-L62 PolarHBondContact O-N 3.26Å; P59-M63 WeakPolarHBondContact O-CG 3.43Å; P59-M63 PolarHBondContact O-N 3.31Å; P59-Y613 HydrophobicContact CG-CD2 4.24Å; P59-Y613 HydrophobicContact CG-CE2 4.29Å
60E86.8Confident89.2Confident131 Ų13150.9 Ų50.961%0.61224%0.243SC*.Hα-helixtrans-70.2-42.4-177.7-164.2-161.2134.600111.9D58 M63 K64D58-E60 PolarHBondContact O-N 3.17Å; D58-E60 PolarHBondContact OD1-N 2.98Å; E60-M63 PolarHBondContact O-N 2.88Å; E60-K64 IonicContact OE1-NZ 3.19Å; E60-K64 PolarHBondContact OE1-NZ 3.1Å
61Q86.3Confident89.5Confident81 Ų8150.6 Ų50.638%0.37924%0.242SC..Hα-helixtrans-68.1-37.1173-68.9-76.141.300111.9E54 D58 M63 K64E54-Q61 HydrophobicContact CG-CB 4.36Å; E54-Q61 WeakPolarHBondContact OE1-CB 3.4Å; D58-Q61 HydrophobicContact CB-CB 4.16Å; D58-Q61 HydrophobicContact CB-CG 4.32Å; D58-Q61 PolarHBondContact O-N 3.45Å; D58-Q61 PolarHBondContact OD1-N 3.33Å; D58-Q61 WeakPolarHBondContact OD2-CG 3.34Å; Q61-M63 VanDerWaalsContact C-N 3.3Å; Q61-M63 PolarHBondContact O-N 3.09Å; Q61-K64 WeakPolarHBondContact O-CB 3.43Å; Q61-K64 PolarHBondContact O-N 3.1Å; Q61-K64 VanDerWaalsContact O-N 3.09Å
62L89.3Confident89.9Confident0 Ų047 Ų470%022%0.222CC..Hα-helixtrans-55.3-46.5174178.167.2000111.1Y21 V50 I55 D58 P59 K64 K65 I66 P74Y21-L62 HydrophobicContact CE2-CD2 4.47Å; V50-L62 HydrophobicContact CG2-CD1 4.39Å; I55-L62 HydrophobicContact CG1-CD1 3.93Å; I55-L62 HydrophobicContact CG2-CD2 4.19Å; D58-L62 PolarHBondContact O-N 2.96Å; P59-L62 WeakPolarHBondContact O-CB 3.47Å; P59-L62 PolarHBondContact O-N 3.26Å; L62-K64 PolarHBondContact O-N 3.47Å; L62-K64 VanDerWaalsContact O-N 3.09Å; L62-K65 PolarHBondContact O-N 3.07Å; L62-I66 HydrophobicContact CD1-CG2 3.71Å; L62-I66 HydrophobicContact CG-CG2 3.95Å; L62-I66 WeakPolarHBondContact O-CG2 3.49Å; L62-I66 PolarHBondContact O-N 3.03Å; L62-P74 HydrophobicContact CD1-CB 4.33Å; L62-P74 HydrophobicContact CD1-CG 4.28Å; L62-P74 HydrophobicContact CD2-CB 3.91Å
63M89.1Confident90.2Very high35 Ų3547 Ų4717%0.17222%0.222CC..Hα-helixtrans-58.2-26.3179.6-60.7-39-103.700113.7L17 N18 P59 E60 Q61 K65 I66L17-M63 VanDerWaalsContact C-CE 3.49Å; L17-M63 HydrophobicContact CB-CE 3.72Å; L17-M63 HydrophobicContact CD2-CE 4.09Å; L17-M63 HydrophobicContact CD2-SD 3.81Å; L17-M63 HydrophobicContact CG-CE 3.71Å; L17-M63 HydrophobicContact CG-SD 4Å; N18-M63 HydrophobicContact CB-CE 3.94Å; N18-M63 WeakPolarHBondContact OD1-CE 3.42Å; P59-M63 WeakPolarHBondContact O-CG 3.43Å; P59-M63 PolarHBondContact O-N 3.31Å; E60-M63 PolarHBondContact O-N 2.88Å; Q61-M63 VanDerWaalsContact C-N 3.3Å; Q61-M63 PolarHBondContact O-N 3.09Å; M63-K65 VanDerWaalsContact C-N 3.35Å; M63-I66 HydrophobicContact CE-CD1 4.3Å; M63-I66 HydrophobicContact SD-CD1 3.79Å
64K87.9Confident90.5Very high131 Ų13144.7 Ų44.757%0.5721%0.206SC*.THydrogen-bonded Turntrans-82.1-13.6179.4-63.6169.1-170.5159.30113E60 Q61 L62E60-K64 IonicContact OE1-NZ 3.19Å; E60-K64 PolarHBondContact OE1-NZ 3.1Å; Q61-K64 WeakPolarHBondContact O-CB 3.43Å; Q61-K64 PolarHBondContact O-N 3.1Å; Q61-K64 VanDerWaalsContact O-N 3.09Å; L62-K64 PolarHBondContact O-N 3.47Å; L62-K64 VanDerWaalsContact O-N 3.09Å
65K87.9Confident90.9Very high95 Ų9543.1 Ų43.141%0.41320%0.199SC..THydrogen-bonded Turntrans-113.9-21.9-174-65.1-172.7-174.9173.20114.2V50 E54 L62 M63V50-K65 HydrophobicContact CG1-CB 3.71Å; V50-K65 HydrophobicContact CG1-CD 3.59Å; V50-K65 HydrophobicContact CG1-CG 4.32Å; E54-K65 VanDerWaalsContact OE1-CD 3.29Å; E54-K65 WeakPolarHBondContact OE1-CD 3.38Å; E54-K65 WeakPolarHBondContact OE1-CE 3.39Å; E54-K65 IonicContact OE1-NZ 2.79Å; E54-K65 PolarHBondContact OE1-NZ 2.92Å; E54-K65 IonicContact OE2-NZ 3.64Å; E54-K65 PolarHBondContact OE2-NZ 2.92Å; L62-K65 PolarHBondContact O-N 3.07Å; M63-K65 VanDerWaalsContact C-N 3.35Å
66I90.7Very high91.3Very high10 Ų1043 Ų435%0.05120%0.198CC..  trans-71.1158.6171.562.7177.5000111.2N14 L17 L62 M63 N70 W71 P74N14-I66 HydrophobicContact CB-CD1 4.22Å; N14-I66 HydrophobicContact CB-CG1 4.37Å; L17-I66 HydrophobicContact CD2-CD1 3.59Å; L62-I66 HydrophobicContact CD1-CG2 3.71Å; L62-I66 HydrophobicContact CG-CG2 3.95Å; L62-I66 WeakPolarHBondContact O-CG2 3.49Å; L62-I66 PolarHBondContact O-N 3.03Å; M63-I66 HydrophobicContact CE-CD1 4.3Å; M63-I66 HydrophobicContact SD-CD1 3.79Å; I66-N70 VanDerWaalsContact CA-OD1 3.27Å; I66-N70 WeakPolarHBondContact CA-OD1 3.38Å; I66-W71 HydrophobicContact CD1-CB 4.35Å; I66-P74 HydrophobicContact CG2-CG 4.16Å
67S90.5Very high91.7Very high15 Ų1539.5 Ų39.511%0.10518%0.179CC..  trans-136.4172.3177-63.20000109.5N14 E69 N70N14-S67 WeakPolarHBondContact CB-O 3.37Å; S67-E69 WeakPolarHBondContact CB-OE2 3.39Å; S67-E69 PolarHBondContact O-N 3.01Å; S67-E69 VanDerWaalsContact O-N 3.09Å; S67-N70 PolarHBondContact N-OD1 2.99Å; S67-N70 PolarHBondContact O-N 3.48Å; S67-N70 VanDerWaalsContact O-N 3.16Å; S67-N70 PolarHBondContact O-OD1 2.89Å
68I92.9Very high92Very high12 Ų1230.9 Ų30.96%0.06215%0.151CC..THydrogen-bonded Turntrans-54.4-27.4-176.158.4177.2000114R12 H13 N14 W71 L436 D533 Y535R12-I68 HydrophobicContact CB-CG2 3.9Å; R12-I68 HydrophobicContact CG-CG2 4.45Å; H13-I68 HydrophobicContact CB-CB 4.16Å; H13-I68 HydrophobicContact CB-CG2 4.24Å; N14-I68 WeakPolarHBondContact OD1-CG2 3.38Å; I68-W71 PolarHBondContact O-NE1 3.35Å; I68-L436 HydrophobicContact CD1-CB 4.16Å; I68-L436 HydrophobicContact CG1-CB 4.23Å; I68-D533 HydrophobicContact CD1-CB 3.65Å; I68-Y535 HydrophobicContact CD1-CD2 4.22Å; I68-Y535 HydrophobicContact CD1-CE2 3.81Å
69E92Very high92.4Very high5 Ų529.3 Ų29.32%0.02315%0.149CC..THydrogen-bonded Turntrans-95.7-3.7-175.780.8-63.8170.400114.8D44 M45 G46 S67 V434 L436 Y482D44-E69 CarbonylContact C-O 3.57Å; D44-E69 VanDerWaalsContact CA-O 3.28Å; D44-E69 WeakPolarHBondContact CA-O 3.49Å; M45-E69 PolarHBondContact N-O 2.84Å; G46-E69 VanDerWaalsContact CA-O 3.26Å; G46-E69 WeakPolarHBondContact CA-O 3.27Å; G46-E69 PolarHBondContact N-O 2.9Å; S67-E69 WeakPolarHBondContact CB-OE2 3.39Å; S67-E69 PolarHBondContact O-N 3.01Å; S67-E69 VanDerWaalsContact O-N 3.09Å; E69-V434 HydrophobicContact CG-CG1 4.15Å; E69-L436 HydrophobicContact CB-CB 3.91Å; E69-L436 HydrophobicContact CB-CD1 4.16Å; E69-L436 HydrophobicContact CB-CG 4.01Å; E69-L436 HydrophobicContact CG-CB 4.29Å; E69-Y482 PolarHBondContact OE1-OH 2.97Å
70N94.2Very high93Very high9 Ų928.9 Ų28.95%0.04815%0.145CC..THydrogen-bonded Turntrans-138.413.7-167.170.241000115G46 P48 I66 S67 P74G46-N70 VanDerWaalsContact C-CB 3.48Å; G46-N70 WeakPolarHBondContact O-CA 3.29Å; G46-N70 WeakPolarHBondContact O-CB 3.38Å; P48-N70 HydrophobicContact CB-CB 4.48Å; I66-N70 VanDerWaalsContact CA-OD1 3.27Å; I66-N70 WeakPolarHBondContact CA-OD1 3.38Å; S67-N70 PolarHBondContact N-OD1 2.99Å; S67-N70 PolarHBondContact O-N 3.48Å; S67-N70 VanDerWaalsContact O-N 3.16Å; S67-N70 PolarHBondContact O-OD1 2.89Å; N70-P74 WeakPolarHBondContact O-CD 3.35Å
71W95.6Very high93.5Very high0 Ų022.7 Ų22.70%012%0.116CC..SBendtrans-81.5-20.1-174.767-89.9000113.7H13 N14 V16 L17 I20 L36 I66 I68 P74 M75 D173H13-W71 AromaticContact CD2-CE2 3.86Å; H13-W71 AromaticContact CD2-CZ2 3.73Å; H13-W71 AromaticContact CD2-NE1 3.69Å; H13-W71 AromaticContact CE1-CE2 3.88Å; H13-W71 AromaticContact CE1-CZ2 3.68Å; H13-W71 AromaticContact CE1-NE1 3.48Å; H13-W71 PolarHBondContact CE1-NE1 3.1Å; H13-W71 AromaticContact CG-NE1 3.38Å; H13-W71 AromaticContact ND1-CE2 3.97Å; H13-W71 AromaticContact ND1-NE1 3.17Å; H13-W71 PolarHBondContact ND1-NE1 3.39Å; H13-W71 VanDerWaalsContact ND1-NE1 3.17Å; H13-W71 AromaticContact NE2-CE2 3.77Å; H13-W71 AromaticContact NE2-CZ2 3.3Å; H13-W71 VanDerWaalsContact NE2-CZ2 3.3Å; H13-W71 WeakPolarHBondContact NE2-CZ2 3.36Å; H13-W71 AromaticContact NE2-NE1 3.75Å; N14-W71 HydrophobicContact CB-CB 3.84Å; N14-W71 HydrophobicContact CB-CG 4.17Å; V16-W71 HydrophobicContact CG2-CD2 4.16Å; V16-W71 HydrophobicContact CG2-CE3 3.79Å; V16-W71 HydrophobicContact CG2-CH2 3.63Å; V16-W71 HydrophobicContact CG2-CZ2 4.03Å; V16-W71 HydrophobicContact CG2-CZ3 3.47Å; V16-W71 VanDerWaalsContact CG2-CZ3 3.47Å; L17-W71 HydrophobicContact CB-CE3 4.32Å; I20-W71 HydrophobicContact CD1-CZ3 3.98Å; L36-W71 HydrophobicContact CD2-CH2 4.32Å; I66-W71 HydrophobicContact CD1-CB 4.35Å; I68-W71 PolarHBondContact O-NE1 3.35Å; W71-P74 WeakPolarHBondContact O-CD 3.43Å; W71-M75 HydrophobicContact CE3-CE 3.74Å; W71-M75 HydrophobicContact CH2-CE 4.18Å; W71-M75 HydrophobicContact CZ3-CE 3.27Å; W71-M75 HydrophobicContact CZ3-SD 4.3Å; W71-D173 WeakPolarHBondContact CH2-OD2 3.36Å; W71-D173 WeakPolarHBondContact CZ2-OD2 3.04Å
72I97.9Very high94.1Very high0 Ų021.5 Ų21.50%011%0.112CC..Hα-helixtrans-72.6-44-179.9-61.3177.9000111.3L36 D44 M75 I76 V84L36-I72 HydrophobicContact CD2-CD1 3.79Å; L36-I72 HydrophobicContact CD2-CG1 3.99Å; L36-I72 HydrophobicContact CD2-CG2 3.84Å; D44-I72 HydrophobicContact CB-CD1 3.89Å; D44-I72 HydrophobicContact CB-CG1 4.3Å; D44-I72 WeakPolarHBondContact O-CB 3.49Å; I72-M75 WeakPolarHBondContact O-CB 3.18Å; I72-M75 PolarHBondContact O-N 3.32Å; I72-I76 HydrophobicContact CG2-CD1 4.07Å; I72-I76 HydrophobicContact CG2-CG1 4.32Å; I72-I76 PolarHBondContact O-N 3.49Å; I72-V84 HydrophobicContact CG2-CG2 3.88Å
73T96.8Very high94.5Very high0 Ų022.5 Ų22.50%012%0.117CC..Hα-helixtrans-65.3-33.5-171.463.40000114.5M45 G46 I47 P48 M75 I76 Y77 I105M45-T73 HydrophobicContact CB-CG2 4.25Å; M45-T73 HydrophobicContact CG-CG2 4.5Å; M45-T73 WeakPolarHBondContact O-CG2 3.33Å; G46-T73 VanDerWaalsContact O-CG2 3.32Å; G46-T73 WeakPolarHBondContact O-CG2 3.45Å; G46-T73 PolarHBondContact O-OG1 2.92Å; I47-T73 HydrophobicContact CD1-CG2 3.8Å; P48-T73 WeakPolarHBondContact CD-OG1 3.28Å; T73-M75 VanDerWaalsContact C-N 3.32Å; T73-M75 PolarHBondContact O-N 2.84Å; T73-I76 PolarHBondContact O-N 2.82Å; T73-Y77 PolarHBondContact O-N 3.43Å; T73-I105 HydrophobicContact CG2-CD1 4.37Å
74P95.7Very high95Very high0 Ų020.9 Ų20.90%011%0.109CC..Hα-helixtrans-58.7-38.6168.5-27.336.1000113.8P48 I55 L62 I66 N70 W71 I76 Y77 A78P48-P74 HydrophobicContact CG-CG 3.85Å; I55-P74 HydrophobicContact CG2-CB 3.96Å; L62-P74 HydrophobicContact CD1-CB 4.33Å; L62-P74 HydrophobicContact CD1-CG 4.28Å; L62-P74 HydrophobicContact CD2-CB 3.91Å; I66-P74 HydrophobicContact CG2-CG 4.16Å; N70-P74 WeakPolarHBondContact O-CD 3.35Å; W71-P74 WeakPolarHBondContact O-CD 3.43Å; P74-I76 VanDerWaalsContact C-N 3.31Å; P74-I76 PolarHBondContact O-N 2.53Å; P74-Y77 PolarHBondContact O-N 2.96Å; P74-A78 VanDerWaalsContact O-CB 3.26Å; P74-A78 WeakPolarHBondContact O-CB 3.41Å; P74-A78 PolarHBondContact O-N 2.99Å
75M96.8Very high95.5Very high0 Ų014.6 Ų14.60%08%0.082CC..Hα-helixtrans-66.1-36.5177.6-66.5-164.7-66.300112.2L17 I20 Y21 L36 W71 I72 T73 G79 H80 V81L17-M75 HydrophobicContact CD1-CG 3.37Å; L17-M75 HydrophobicContact CD1-SD 3.49Å; L17-M75 WeakPolarHBondContact CD1-SD 3.39Å; I20-M75 HydrophobicContact CD1-CE 4.38Å; I20-M75 HydrophobicContact CD1-SD 4.04Å; I20-M75 HydrophobicContact CG2-SD 3.94Å; Y21-M75 HydrophobicContact CE1-CG 4.15Å; L36-M75 HydrophobicContact CD2-CE 4.35Å; W71-M75 HydrophobicContact CE3-CE 3.74Å; W71-M75 HydrophobicContact CH2-CE 4.18Å; W71-M75 HydrophobicContact CZ3-CE 3.27Å; W71-M75 HydrophobicContact CZ3-SD 4.3Å; I72-M75 WeakPolarHBondContact O-CB 3.18Å; I72-M75 PolarHBondContact O-N 3.32Å; T73-M75 VanDerWaalsContact C-N 3.32Å; T73-M75 PolarHBondContact O-N 2.84Å; M75-G79 PolarHBondContact O-N 2.84Å; M75-H80 HydrophobicContact CB-CB 4.48Å; M75-H80 PolarHBondContact O-N 2.92Å; M75-V81 HydrophobicContact CB-CB 4.42Å; M75-V81 HydrophobicContact CB-CG2 4.04Å; M75-V81 HydrophobicContact CE-CG2 4.01Å; M75-V81 PolarHBondContact O-N 3.3Å; M75-V81 HydrophobicContact SD-CG2 4.25Å
76I97.7Very high96Very high0 Ų010.1 Ų10.10%06%0.062CC..Hα-helixtrans-64.5-51.1174.8-57173.2000109.4M45 I72 T73 P74 A78 G79 V81 V84 I105 V139 F141M45-I76 HydrophobicContact CE-CD1 4.47Å; I72-I76 HydrophobicContact CG2-CD1 4.07Å; I72-I76 HydrophobicContact CG2-CG1 4.32Å; I72-I76 PolarHBondContact O-N 3.49Å; T73-I76 PolarHBondContact O-N 2.82Å; P74-I76 VanDerWaalsContact C-N 3.31Å; P74-I76 PolarHBondContact O-N 2.53Å; I76-A78 VanDerWaalsContact C-N 3.31Å; I76-A78 PolarHBondContact O-N 2.94Å; I76-G79 WeakPolarHBondContact O-CA 3.31Å; I76-G79 PolarHBondContact O-N 2.81Å; I76-V81 WeakPolarHBondContact CA-O 3.26Å; I76-V81 HydrophobicContact CG1-CB 4.36Å; I76-V81 HydrophobicContact CG1-CG1 4.4Å; I76-V84 HydrophobicContact CD1-CG2 3.81Å; I76-V84 HydrophobicContact CG1-CG2 4.28Å; I76-I105 HydrophobicContact CB-CG2 4.4Å; I76-I105 HydrophobicContact CG2-CG2 3.69Å; I76-V139 WeakPolarHBondContact O-CG1 3.18Å; I76-F141 HydrophobicContact CD1-CD2 3.88Å; I76-F141 HydrophobicContact CD1-CE2 3.87Å; I76-F141 HydrophobicContact CD1-CG 4.36Å; I76-F141 HydrophobicContact CD1-CZ 4.35Å; I76-F141 HydrophobicContact CG2-CB 3.51Å; I76-F141 HydrophobicContact CG2-CD1 3.59Å; I76-F141 HydrophobicContact CG2-CD2 4.03Å; I76-F141 HydrophobicContact CG2-CE1 4.28Å; I76-F141 HydrophobicContact CG2-CG 3.43Å; I76-F141 VanDerWaalsContact CG2-CG 3.43Å
77Y96.7Very high96.3Very high15 Ų159.8 Ų9.86%0.0596%0.061CC..Hα-helixtrans-63.6-36-179.3-175.7-112.3000112.9C52 I55 L56 T73 P74 G79 I105 L114 V139C52-Y77 HydrophobicContact CB-CE1 3.59Å; C52-Y77 WeakPolarHBondContact CB-OH 3.43Å; I55-Y77 HydrophobicContact CB-CD1 4.18Å; I55-Y77 HydrophobicContact CD1-CD1 3.86Å; I55-Y77 HydrophobicContact CG2-CD1 4.03Å; L56-Y77 HydrophobicContact CD1-CE1 4.04Å; L56-Y77 HydrophobicContact CD2-CD1 4.32Å; L56-Y77 HydrophobicContact CD2-CE1 4.28Å; L56-Y77 HydrophobicContact CG-CD1 4.46Å; L56-Y77 HydrophobicContact CG-CE1 4.01Å; T73-Y77 PolarHBondContact O-N 3.43Å; P74-Y77 PolarHBondContact O-N 2.96Å; Y77-G79 PolarHBondContact O-N 3.07Å; Y77-I105 HydrophobicContact CD2-CG2 4.44Å; Y77-L114 HydrophobicContact CD1-CD1 3.91Å; Y77-L114 HydrophobicContact CD2-CD1 3.65Å; Y77-L114 HydrophobicContact CE1-CD1 4.45Å; Y77-L114 HydrophobicContact CE2-CD1 4.24Å; Y77-L114 HydrophobicContact CG-CD1 3.47Å; Y77-L114 VanDerWaalsContact CG-CD1 3.47Å; Y77-V139 HydrophobicContact CD2-CG2 4.08Å; Y77-V139 HydrophobicContact CE2-CG2 4.33Å
78A95.1Very high96.7Very high21 Ų219.4 Ų9.417%0.1746%0.057CC..THydrogen-bonded Turntrans-67.9-9.8172.200000113.6L56 P74 I76 H80L56-A78 HydrophobicContact CD2-CB 4.22Å; P74-A78 VanDerWaalsContact O-CB 3.26Å; P74-A78 WeakPolarHBondContact O-CB 3.41Å; P74-A78 PolarHBondContact O-N 2.99Å; I76-A78 VanDerWaalsContact C-N 3.31Å; I76-A78 PolarHBondContact O-N 2.94Å; A78-H80 VanDerWaalsContact C-N 3.33Å
79G95.4Very high96.9Very high28 Ų288.9 Ų8.929%0.2895%0.054SC..THydrogen-bonded Turntrans78.314.9178.900000114.2S32 M75 I76 Y77S32-G79 VanDerWaalsContact CB-O 3.23Å; S32-G79 WeakPolarHBondContact CB-O 3.47Å; M75-G79 PolarHBondContact O-N 2.84Å; I76-G79 WeakPolarHBondContact O-CA 3.31Å; I76-G79 PolarHBondContact O-N 2.81Å; Y77-G79 PolarHBondContact O-N 3.07Å
80H97.1Very high97Very high18 Ų1813.2 Ų13.28%0.0838%0.081CC..SBendtrans-74.5-52.9176-60.9-43.5000110.7Y21 I24 F31 G33 L34 M75 A78Y21-H80 AromaticContact CE1-CD2 3.64Å; Y21-H80 AromaticContact CE1-NE2 3.96Å; I24-H80 HydrophobicContact CD1-CB 4.15Å; F31-H80 AromaticContact CE2-CE1 3.61Å; F31-H80 AromaticContact CZ-CE1 3.77Å; F31-H80 PolarHBondContact O-ND1 3.3Å; G33-H80 PolarHBondContact N-O 2.87Å; L34-H80 WeakPolarHBondContact CB-O 3.45Å; L34-H80 PolarHBondContact N-O 2.9Å; M75-H80 HydrophobicContact CB-CB 4.48Å; M75-H80 PolarHBondContact O-N 2.92Å; A78-H80 VanDerWaalsContact C-N 3.33Å
81V98.3Very high96.9Very high2 Ų215.4 Ų15.41%0.0129%0.089CC..EExtended strand (participates in β ladder)trans-99.8124178.7176.60000109.7L34 L36 M75 I76 H83 V84L34-V81 HydrophobicContact CB-CG2 4.35Å; L34-V81 CarbonylContact O-C 3.5Å; L34-V81 VanDerWaalsContact O-CA 3.26Å; L34-V81 WeakPolarHBondContact O-CA 3.24Å; L36-V81 HydrophobicContact CB-CG1 3.97Å; M75-V81 HydrophobicContact CB-CB 4.42Å; M75-V81 HydrophobicContact CB-CG2 4.04Å; M75-V81 HydrophobicContact CE-CG2 4.01Å; M75-V81 PolarHBondContact O-N 3.3Å; M75-V81 HydrophobicContact SD-CG2 4.25Å; I76-V81 WeakPolarHBondContact CA-O 3.26Å; I76-V81 HydrophobicContact CG1-CB 4.36Å; I76-V81 HydrophobicContact CG1-CG1 4.4Å; V81-H83 WeakPolarHBondContact CG1-O 3.45Å; V81-V84 HydrophobicContact CG1-CG2 3.91Å
82D97.8Very high96.9Very high56 Ų5615.4 Ų15.430%0.2999%0.089SC..EExtended strand (participates in β ladder)trans-110.1-7.6179.572.4-12.2000113.1L34 K35 F141 G142L34-D82 PolarHBondContact O-N 2.86Å; L34-D82 VanDerWaalsContact O-OD1 3.1Å; K35-D82 VanDerWaalsContact CD-OD1 3.31Å; K35-D82 WeakPolarHBondContact CD-OD1 3.48Å; K35-D82 VanDerWaalsContact CE-OD1 3.28Å; K35-D82 WeakPolarHBondContact CE-OD1 3.49Å; K35-D82 IonicContact NZ-OD1 2.99Å; K35-D82 PolarHBondContact NZ-OD1 3.02Å; K35-D82 IonicContact NZ-OD2 3.11Å; K35-D82 PolarHBondContact NZ-OD2 3.19Å; D82-F141 CarbonylContact O-C 3.22Å; D82-F141 VanDerWaalsContact O-CA 3.24Å; D82-F141 WeakPolarHBondContact O-CA 3.42Å; D82-G142 PolarHBondContact O-N 3.03Å
83H98.7Very high96.5Very high20 Ų2023.9 Ų23.99%0.09312%0.121CC..EExtended strand (participates in β ladder)trans-148.8130.3173-150.3118.2000111.3K35 L36 V81 G142 T144 V164K35-H83 CarbonylContact C-O 3.59Å; K35-H83 WeakPolarHBondContact CA-O 3.22Å; K35-H83 HydrophobicContact CD-CB 3.41Å; K35-H83 VanDerWaalsContact CD-CB 3.41Å; L36-H83 PolarHBondContact N-O 3.08Å; V81-H83 WeakPolarHBondContact CG1-O 3.45Å; H83-G142 CarbonylContact C-O 3.49Å; H83-G142 VanDerWaalsContact CA-O 3.23Å; H83-G142 WeakPolarHBondContact CA-O 3.49Å; H83-G142 PolarHBondContact CD2-O 3.28Å; H83-T144 PolarHBondContact NE2-OG1 2.93Å; H83-V164 HydrophobicContact CB-CG1 4.15Å
84V98.7Very high96.2Very high1 Ų124.2 Ų24.21%0.00612%0.122CC..EExtended strand (participates in β ladder)trans-109.6128172.3-179.20000109.2L36 I72 I76 V81 G142 L143 T144L36-V84 HydrophobicContact CB-CG2 4.47Å; L36-V84 HydrophobicContact CD2-CG1 4.48Å; I72-V84 HydrophobicContact CG2-CG2 3.88Å; I76-V84 HydrophobicContact CD1-CG2 3.81Å; I76-V84 HydrophobicContact CG1-CG2 4.28Å; V81-V84 HydrophobicContact CG1-CG2 3.91Å; V84-G142 PolarHBondContact N-O 3.5Å; V84-L143 HydrophobicContact CB-CD1 4.14Å; V84-L143 HydrophobicContact CG1-CD1 4.3Å; V84-L143 WeakPolarHBondContact O-CA 3.49Å; V84-T144 PolarHBondContact O-N 2.84Å
85I98.6Very high96.1Very high0 Ų024.4 Ų24.40%012%0.123CC..EExtended strand (participates in β ladder)trans-114104.5173.3-53.8177.6000106.6L36 L37 H38 M87 T144 I161 V164 L165L36-I85 PolarHBondContact O-N 2.92Å; L37-I85 HydrophobicContact CD1-CB 4.06Å; L37-I85 HydrophobicContact CD1-CG2 3.82Å; H38-I85 PolarHBondContact N-O 3.26Å; I85-M87 HydrophobicContact CG2-CG 4.27Å; I85-M87 HydrophobicContact CG2-SD 4.33Å; I85-T144 CarbonylContact C-O 3.53Å; I85-T144 WeakPolarHBondContact CA-O 3.2Å; I85-T144 HydrophobicContact CG2-CG2 4.31Å; I85-I161 HydrophobicContact CD1-CG2 4.13Å; I85-I161 HydrophobicContact CG2-CG1 4.05Å; I85-I161 HydrophobicContact CG2-CG2 4.33Å; I85-V164 HydrophobicContact CD1-CB 4.04Å; I85-V164 HydrophobicContact CD1-CG1 3.76Å; I85-V164 HydrophobicContact CG1-CG1 4.26Å; I85-L165 HydrophobicContact CD1-CD1 4.01Å; I85-L165 HydrophobicContact CD1-CD2 3.69Å; I85-L165 HydrophobicContact CD1-CG 3.66Å
86W98.6Very high96Very high1 Ų129.7 Ų29.70%0.00415%0.151CC..EExtended strand (participates in β ladder)trans-94.2114.1176.4-178.743000110.4H38 D40 H42 P43 H88 Q94 L95 T144 V145 A146H38-W86 AromaticContact CD2-CD1 3.65Å; H38-W86 WeakPolarHBondContact O-CA 3.29Å; D40-W86 PolarHBondContact O-NE1 2.9Å; H42-W86 VanDerWaalsContact C-CZ2 3.47Å; H42-W86 PolarHBondContact O-NE1 2.91Å; P43-W86 HydrophobicContact CB-CD2 4.07Å; P43-W86 HydrophobicContact CB-CE3 4.06Å; P43-W86 HydrophobicContact CB-CH2 4.42Å; P43-W86 HydrophobicContact CB-CZ2 4.35Å; P43-W86 HydrophobicContact CB-CZ3 4.28Å; P43-W86 HydrophobicContact CG-CD2 4.24Å; P43-W86 HydrophobicContact CG-CE3 3.96Å; P43-W86 HydrophobicContact CG-CH2 3.54Å; P43-W86 HydrophobicContact CG-CZ2 3.76Å; P43-W86 HydrophobicContact CG-CZ3 3.66Å; W86-H88 HydrophobicContact CD2-CB 4.03Å; W86-H88 VanDerWaalsContact CE2-CB 3.49Å; W86-H88 HydrophobicContact CE3-CB 4.45Å; W86-H88 HydrophobicContact CH2-CB 3.89Å; W86-H88 HydrophobicContact CZ2-CB 3.45Å; W86-H88 VanDerWaalsContact CZ2-CB 3.45Å; W86-H88 HydrophobicContact CZ3-CB 4.35Å; W86-H88 AromaticContact CZ3-CD2 3.99Å; W86-Q94 HydrophobicContact CH2-CB 4.2Å; W86-L95 HydrophobicContact CE3-CB 4.09Å; W86-L95 HydrophobicContact CE3-CD1 3.87Å; W86-L95 HydrophobicContact CE3-CG 4.36Å; W86-L95 HydrophobicContact CZ3-CB 3.71Å; W86-L95 HydrophobicContact CZ3-CD1 4.14Å; W86-L95 HydrophobicContact CZ3-CG 4.13Å; W86-T144 PolarHBondContact N-O 3.04Å; W86-V145 HydrophobicContact CE3-CG1 3.57Å; W86-V145 HydrophobicContact CE3-CG2 4.29Å; W86-V145 HydrophobicContact CZ3-CG1 3.96Å; W86-A146 PolarHBondContact O-N 3.47Å
87M97.9Very high95.9Very high3 Ų334 Ų342%0.01517%0.174CC..EExtended strand (participates in β ladder)trans-102.9101.5177.9-69.3-60.8-58.500109.1L37 H38 F39 I85 A146 I148 I161 L515L37-M87 HydrophobicContact CD1-CG 3.76Å; H38-M87 PolarHBondContact O-N 3.05Å; F39-M87 WeakPolarHBondContact CA-O 3.32Å; F39-M87 HydrophobicContact CD1-CB 3.33Å; F39-M87 HydrophobicContact CD1-CG 4.17Å; F39-M87 HydrophobicContact CE1-CB 3.39Å; F39-M87 HydrophobicContact CE1-CE 4.43Å; F39-M87 HydrophobicContact CE1-CG 3.77Å; F39-M87 HydrophobicContact CG-CB 4.01Å; F39-M87 HydrophobicContact CZ-CB 4.09Å; F39-M87 HydrophobicContact CZ-CG 4.03Å; I85-M87 HydrophobicContact CG2-CG 4.27Å; I85-M87 HydrophobicContact CG2-SD 4.33Å; M87-A146 WeakPolarHBondContact CA-O 3.44Å; M87-A146 HydrophobicContact SD-CB 3.95Å; M87-I148 HydrophobicContact CB-CG1 4.12Å; M87-I148 HydrophobicContact CE-CG1 4.37Å; M87-I161 HydrophobicContact CE-CD1 4.1Å; M87-I161 HydrophobicContact SD-CD1 3.36Å; M87-I161 WeakPolarHBondContact SD-CD1 3.29Å; M87-I161 HydrophobicContact SD-CG1 4.39Å; M87-L515 HydrophobicContact CE-CD2 3.95Å; M87-L515 HydrophobicContact SD-CD2 4.38Å
88H97.5Very high95.8Very high7 Ų735.7 Ų35.73%0.03218%0.18CC..EExtended strand (participates in β ladder)trans-111.2152.6-169.970.482.6000112.7W86 S92 N97 A146 P147 I148W86-H88 HydrophobicContact CD2-CB 4.03Å; W86-H88 VanDerWaalsContact CE2-CB 3.49Å; W86-H88 HydrophobicContact CE3-CB 4.45Å; W86-H88 HydrophobicContact CH2-CB 3.89Å; W86-H88 HydrophobicContact CZ2-CB 3.45Å; W86-H88 VanDerWaalsContact CZ2-CB 3.45Å; W86-H88 HydrophobicContact CZ3-CB 4.35Å; W86-H88 AromaticContact CZ3-CD2 3.99Å; H88-S92 PolarHBondContact CE1-O 3.25Å; H88-S92 PolarHBondContact ND1-O 3.11Å; H88-N97 PolarHBondContact NE2-OD1 3.3Å; H88-A146 PolarHBondContact CD2-O 2.63Å; H88-A146 VanDerWaalsContact CD2-O 3.27Å; H88-A146 PolarHBondContact N-O 3.17Å; H88-P147 CarbonylContact O-C 3.55Å; H88-P147 WeakPolarHBondContact O-CA 3.43Å; H88-I148 PolarHBondContact O-N 3.45Å
89P96.9Very high95.8Very high0 Ų041 Ų410%020%0.2CC..  trans-70.3164.2172.230.7-35.4000111.7D40 W91 S92D40-P89 WeakPolarHBondContact O-CD 3.41Å; P89-W91 HydrophobicContact CB-CD2 3.73Å; P89-W91 HydrophobicContact CB-CE3 4.04Å; P89-W91 HydrophobicContact CB-CG 4.43Å; P89-W91 HydrophobicContact CB-CH2 3.73Å; P89-W91 HydrophobicContact CB-CZ2 3.36Å; P89-W91 HydrophobicContact CB-CZ3 4.04Å; P89-W91 HydrophobicContact CG-CD2 4.01Å; P89-W91 HydrophobicContact CG-CG 4.36Å; P89-W91 HydrophobicContact CG-CH2 4.44Å; P89-W91 HydrophobicContact CG-CZ2 3.58Å; P89-W91 PolarHBondContact O-N 3.5Å; P89-S92 WeakPolarHBondContact O-CB 2.96Å; P89-S92 PolarHBondContact O-N 3.42Å
90T94.3Very high95.9Very high96 Ų9642.1 Ų42.159%0.58920%0.202SC*.THydrogen-bonded Turntrans-68.8-18.2-170.759.30000115.1
91W93.7Very high95.9Very high56 Ų5643.7 Ų43.721%0.21221%0.213CC..THydrogen-bonded Turntrans-80.4-20.9173.452.780.8000112.9S41 P89 T178 T181 S498 T500 L508S41-W91 PolarHBondContact OG-NE1 3.39Å; P89-W91 HydrophobicContact CB-CD2 3.73Å; P89-W91 HydrophobicContact CB-CE3 4.04Å; P89-W91 HydrophobicContact CB-CG 4.43Å; P89-W91 HydrophobicContact CB-CH2 3.73Å; P89-W91 HydrophobicContact CB-CZ2 3.36Å; P89-W91 HydrophobicContact CB-CZ3 4.04Å; P89-W91 HydrophobicContact CG-CD2 4.01Å; P89-W91 HydrophobicContact CG-CG 4.36Å; P89-W91 HydrophobicContact CG-CH2 4.44Å; P89-W91 HydrophobicContact CG-CZ2 3.58Å; P89-W91 PolarHBondContact O-N 3.5Å; W91-T178 WeakPolarHBondContact CZ2-O 3.45Å; W91-T181 VanDerWaalsContact NE1-CG2 3.34Å; W91-S498 VanDerWaalsContact CD2-CB 3.47Å; W91-T500 HydrophobicContact CH2-CG2 3.47Å; W91-T500 VanDerWaalsContact CH2-CG2 3.47Å; W91-T500 HydrophobicContact CZ2-CG2 4.2Å; W91-T500 HydrophobicContact CZ3-CG2 3.85Å; W91-L508 HydrophobicContact CH2-CD1 3.44Å; W91-L508 VanDerWaalsContact CH2-CD1 3.44Å; W91-L508 HydrophobicContact CZ2-CD1 4.31Å; W91-L508 HydrophobicContact CZ3-CD1 4.1Å
92S94Very high95.8Very high0 Ų047.5 Ų47.50%024%0.238CC..  trans-83.5124.9177.9-65.40000110.7S41 H88 P89S41-S92 VanDerWaalsContact CA-OG 3.31Å; S41-S92 WeakPolarHBondContact CA-OG 3.35Å; S41-S92 WeakPolarHBondContact O-CB 3.39Å; S41-S92 PolarHBondContact O-OG 3.16Å; H88-S92 PolarHBondContact CE1-O 3.25Å; H88-S92 PolarHBondContact ND1-O 3.11Å; P89-S92 WeakPolarHBondContact O-CB 2.96Å; P89-S92 PolarHBondContact O-N 3.42Å
93R90.4Very high95.8Very high177 Ų17746.4 Ų46.467%0.66823%0.23SC*.  trans-137.721.2-175.2-58.8-177.7-172.7156.93.6112.8L95 S431R93-L95 PolarHBondContact O-N 3.02Å; R93-S431 WeakPolarHBondContact O-CB 2.71Å; R93-S431 PolarHBondContact O-OG 3.39Å
94Q90.6Very high95.7Very high8 Ų845.6 Ų45.64%0.03723%0.227CC..SBendtrans-68.7-31.2-171.6-70.6-180-89.300113.5S41 H42 P43 W86 Y122 S431 P496S41-Q94 PolarHBondContact O-OE1 2.93Å; H42-Q94 PolarHBondContact ND1-OE1 3.2Å; P43-Q94 HydrophobicContact CG-CB 3.93Å; W86-Q94 HydrophobicContact CH2-CB 4.2Å; Q94-Y122 HydrophobicContact CB-CD2 4.05Å; Q94-Y122 HydrophobicContact CB-CE2 4.24Å; Q94-S431 WeakPolarHBondContact CA-OG 3.39Å; Q94-P496 HydrophobicContact CG-CG 4.43Å
95L93.9Very high95.7Very high4 Ų445.6 Ų45.62%0.02123%0.227CC..SBendtrans-117.7150.6166.8-64.8166000109.8P43 W86 R93 E120 Y122 F123 V145P43-L95 HydrophobicContact CB-CD1 3.65Å; P43-L95 HydrophobicContact CB-CG 4.34Å; P43-L95 HydrophobicContact CG-CD1 3.85Å; P43-L95 HydrophobicContact CG-CG 4Å; W86-L95 HydrophobicContact CE3-CB 4.09Å; W86-L95 HydrophobicContact CE3-CD1 3.87Å; W86-L95 HydrophobicContact CE3-CG 4.36Å; W86-L95 HydrophobicContact CZ3-CB 3.71Å; W86-L95 HydrophobicContact CZ3-CD1 4.14Å; W86-L95 HydrophobicContact CZ3-CG 4.13Å; R93-L95 PolarHBondContact O-N 3.02Å; L95-E120 HydrophobicContact CD2-CB 4.44Å; L95-Y122 HydrophobicContact CD2-CD1 3.93Å; L95-Y122 HydrophobicContact CD2-CD2 4.46Å; L95-Y122 HydrophobicContact CD2-CG 3.67Å; L95-Y122 HydrophobicContact CG-CD1 4.48Å; L95-Y122 HydrophobicContact CG-CG 4.15Å; L95-F123 HydrophobicContact CD2-CE2 3.8Å; L95-F123 HydrophobicContact CD2-CZ 4.31Å; L95-V145 HydrophobicContact CB-CG1 4.25Å; L95-V145 HydrophobicContact CB-CG2 4.17Å; L95-V145 HydrophobicContact CD1-CG2 4.2Å
96L93.7Very high95.5Very high110 Ų11045.6 Ų45.658%0.57623%0.227SC*.  trans-74.1137.5172.6-64.4168.8000110.5R98 E120L96-R98 PolarHBondContact O-N 2.87Å; L96-R98 PolarHBondContact O-NE 2.74Å; L96-R98 PolarHBondContact O-NH2 3.12Å; L96-E120 WeakPolarHBondContact CB-OE2 3.42Å; L96-E120 PolarHBondContact N-OE2 3.26Å
97N95.6Very high95.4Very high92 Ų9247.1 Ų47.149%0.49223%0.234SC..  trans-53.1135.8171-74-31.5000111.2H88 V145H88-N97 PolarHBondContact NE2-OD1 3.3Å; N97-V145 WeakPolarHBondContact CA-O 3.02Å; N97-V145 PolarHBondContact OD1-O 3.34Å
98R94.8Very high95.2Very high49 Ų4947.6 Ų47.619%0.18524%0.237CC..EExtended strand (participates in β ladder)trans-154.4145.9-178.864.4-170.165-91.6-10.6112L96 Y103 E120 V145L96-R98 PolarHBondContact O-N 2.87Å; L96-R98 PolarHBondContact O-NE 2.74Å; L96-R98 PolarHBondContact O-NH2 3.12Å; R98-Y103 PolarHBondContact NH1-OH 3.32Å; R98-E120 IonicContact CZ-OE1 2.68Å; R98-E120 IonicContact NE-OE1 3.58Å; R98-E120 PolarHBondContact NE-OE1 2.94Å; R98-E120 IonicContact NH2-OE1 3.48Å; R98-E120 PolarHBondContact NH2-OE1 3.05Å; R98-E120 IonicContact NH2-OE2 2.67Å; R98-E120 PolarHBondContact NH2-OE2 3.27Å; R98-V145 HydrophobicContact CG-CB 4.04Å; R98-V145 HydrophobicContact CG-CG2 4.02Å; R98-V145 PolarHBondContact N-O 3.11Å; R98-V145 PolarHBondContact O-N 3.48Å; R98-V145 VanDerWaalsContact O-N 3.14Å
99K95.6Very high95Very high133 Ų13351.1 Ų51.158%0.57826%0.256SS*.EExtended strand (participates in β ladder)trans-62163.6164.4-65.4-174.3-178.91770110.1T101K99-T101 PolarHBondContact O-N 3.48Å; K99-T101 PolarHBondContact O-OG1 2.73Å
100P97.5Very high94.7Very high52 Ų5256.8 Ų56.834%0.33829%0.294SS..EExtended strand (participates in β ladder)trans-47.9110.6174.3-28.735.3000111.9T144 D160 V164P100-T144 WeakPolarHBondContact CA-OG1 3.42Å; P100-T144 HydrophobicContact CG-CG2 4.41Å; P100-T144 WeakPolarHBondContact CG-OG1 3.23Å; P100-D160 HydrophobicContact CG-CB 4.11Å; P100-V164 HydrophobicContact CB-CG2 3.97Å; P100-V164 HydrophobicContact CG-CG2 3.64Å
101T96.7Very high94.5Very high50 Ų5055.5 Ų55.531%0.30729%0.286SS..EExtended strand (participates in β ladder)trans-128.5138-175.7-53.70000110K99 Y103 G142 L143K99-T101 PolarHBondContact O-N 3.48Å; K99-T101 PolarHBondContact O-OG1 2.73Å; T101-Y103 HydrophobicContact CG2-CD2 4.38Å; T101-Y103 HydrophobicContact CG2-CE1 4.26Å; T101-Y103 HydrophobicContact CG2-CE2 3.63Å; T101-G142 CarbonylContact O-C 3.4Å; T101-G142 WeakPolarHBondContact O-CA 3.34Å; T101-L143 PolarHBondContact N-O 3.2Å; T101-L143 PolarHBondContact O-N 2.87Å
102C97.1Very high94.4Very high82 Ų8257.3 Ų57.355%0.55430%0.295SS*.EExtended strand (participates in β ladder)trans-91.8133.2-178.7-1710000111.4F141C102-F141 WeakPolarHBondContact CA-O 3.43Å
103Y97.2Very high94.4Very high33 Ų3362.7 Ų62.713%0.12932%0.315CS..EExtended strand (participates in β ladder)trans-131.5169.7176.5-64.3-77.4000111.1R98 T101 I118 K140 F141 L143R98-Y103 PolarHBondContact NH1-OH 3.32Å; T101-Y103 HydrophobicContact CG2-CD2 4.38Å; T101-Y103 HydrophobicContact CG2-CE1 4.26Å; T101-Y103 HydrophobicContact CG2-CE2 3.63Å; Y103-I118 HydrophobicContact CD1-CB 4.29Å; Y103-I118 HydrophobicContact CD1-CG1 3.6Å; Y103-I118 HydrophobicContact CD2-CD1 4.17Å; Y103-I118 HydrophobicContact CD2-CG1 3.8Å; Y103-I118 HydrophobicContact CE1-CB 4.46Å; Y103-I118 HydrophobicContact CE1-CG1 4.1Å; Y103-I118 HydrophobicContact CE1-CG2 4.27Å; Y103-I118 HydrophobicContact CE2-CG1 4.26Å; Y103-I118 HydrophobicContact CG-CD1 4.21Å; Y103-I118 HydrophobicContact CG-CG1 3.43Å; Y103-I118 VanDerWaalsContact CG-CG1 3.43Å; Y103-K140 VanDerWaalsContact O-CA 3.3Å; Y103-K140 WeakPolarHBondContact O-CA 3.34Å; Y103-F141 PolarHBondContact N-O 3Å; Y103-F141 PolarHBondContact O-N 2.98Å; Y103-L143 HydrophobicContact CD2-CB 4.02Å; Y103-L143 HydrophobicContact CE2-CB 4.17Å; Y103-L143 HydrophobicContact CE2-CD2 4.36Å
104S97.1Very high94.6Very high4 Ų454.5 Ų54.53%0.02829%0.285CS..EExtended strand (participates in β ladder)trans-111137.1175.5-59.70000110.8G117 E132 V139 K140S104-G117 PolarHBondContact O-N 3.12Å; S104-E132 PolarHBondContact OG-OE1 3.06Å; S104-V139 WeakPolarHBondContact CA-O 3.13Å; S104-K140 WeakPolarHBondContact OG-CD 3.37Å; S104-K140 WeakPolarHBondContact OG-CE 3.11Å; S104-K140 PolarHBondContact OG-NZ 3.12Å
105I97.3Very high94.8Very high1 Ų154.3 Ų54.31%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-118145161.7-165.6175.2000108.5I47 T73 I76 Y77 L114 V115 V116 V139 F141I47-I105 HydrophobicContact CD1-CD1 4.03Å; T73-I105 HydrophobicContact CG2-CD1 4.37Å; I76-I105 HydrophobicContact CB-CG2 4.4Å; I76-I105 HydrophobicContact CG2-CG2 3.69Å; Y77-I105 HydrophobicContact CD2-CG2 4.44Å; I105-L114 HydrophobicContact CD1-CD1 4Å; I105-L114 HydrophobicContact CD1-CD2 3.85Å; I105-L114 HydrophobicContact CD1-CG 3.99Å; I105-L114 HydrophobicContact CG1-CD1 3.88Å; I105-L114 HydrophobicContact CG1-CG 4.14Å; I105-V115 WeakPolarHBondContact CA-O 3.38Å; I105-V115 VanDerWaalsContact CG1-O 3.25Å; I105-V115 WeakPolarHBondContact CG1-O 3.45Å; I105-V116 HydrophobicContact CG1-CB 4.35Å; I105-V139 HydrophobicContact CG2-CB 3.99Å; I105-V139 HydrophobicContact CG2-CG1 4.47Å; I105-V139 PolarHBondContact N-O 3.32Å; I105-V139 PolarHBondContact O-N 3.19Å; I105-F141 HydrophobicContact CB-CD1 4.38Å; I105-F141 HydrophobicContact CB-CE1 4Å; I105-F141 HydrophobicContact CG2-CD1 4.17Å; I105-F141 HydrophobicContact CG2-CE1 4.27Å
106G95.9Very high94.9Very high0 Ų054.2 Ų54.20%028%0.284CS..EExtended strand (participates in β ladder)trans-175.8-164.6178.400000114.4V115G106-V115 PolarHBondContact N-O 3.37Å; G106-V115 WeakPolarHBondContact O-CG2 3.4Å; G106-V115 PolarHBondContact O-N 3.14Å
107E95.8Very high95Very high33 Ų3349.6 Ų49.615%0.15426%0.263CS..EExtended strand (participates in β ladder)trans-91.6127.5-176.5-177.7-173.911400110.3C52 L109 K112 S136C52-E107 HydrophobicContact CB-CB 3.98Å; C52-E107 HydrophobicContact CB-CG 3.99Å; C52-E107 VanDerWaalsContact SG-CA 3.55Å; C52-E107 VanDerWaalsContact SG-CB 3.58Å; E107-L109 PolarHBondContact O-N 3Å; E107-K112 HydrophobicContact CG-CB 4.47Å; E107-K112 HydrophobicContact CG-CD 4.21Å; E107-K112 WeakPolarHBondContact OE1-CD 3.32Å; E107-K112 WeakPolarHBondContact OE1-CE 3.36Å; E107-K112 IonicContact OE1-NZ 2.64Å; E107-K112 PolarHBondContact OE1-NZ 3.3Å; E107-S136 PolarHBondContact N-O 2.94Å; E107-S136 WeakPolarHBondContact O-CA 3.39Å; E107-S136 WeakPolarHBondContact O-CB 3.11Å; E107-S136 PolarHBondContact O-N 2.86Å
108D94.4Very high95Very high12 Ų1245.2 Ų45.26%0.06424%0.24CC..EExtended strand (participates in β ladder)trans-64.2128.1173.7-177.760.8000110.9C110 T111 K112 R113 V115D108-C110 PolarHBondContact O-N 2.72Å; D108-C110 VanDerWaalsContact O-N 3.15Å; D108-C110 PolarHBondContact OD2-N 3.04Å; D108-T111 VanDerWaalsContact CB-OG1 3.32Å; D108-T111 WeakPolarHBondContact CB-OG1 3.12Å; D108-T111 VanDerWaalsContact OD2-CB 3.3Å; D108-T111 WeakPolarHBondContact OD2-CB 3.45Å; D108-T111 WeakPolarHBondContact OD2-CG2 3.39Å; D108-T111 PolarHBondContact OD2-N 3.4Å; D108-T111 PolarHBondContact OD2-OG1 3.09Å; D108-K112 WeakPolarHBondContact O-CA 3.48Å; D108-K112 PolarHBondContact O-N 2.88Å; D108-R113 PolarHBondContact N-O 2.89Å; D108-V115 HydrophobicContact CB-CG1 3.84Å; D108-V115 HydrophobicContact CB-CG2 3.89Å
109L92.9Very high95Very high82 Ų8245 Ų4543%0.42924%0.244SC..THydrogen-bonded Turntrans-56.2-35.6-177.4-79.8173.8000112.8E107 D134E107-L109 PolarHBondContact O-N 3Å; L109-D134 VanDerWaalsContact CG-O 3.3Å; L109-D134 WeakPolarHBondContact CG-O 3.4Å; L109-D134 PolarHBondContact N-O 3.07Å; L109-D134 VanDerWaalsContact N-O 3.09Å
110C90.1Very high94.8Very high118 Ų11839.1 Ų39.180%0.79722%0.219SC*.THydrogen-bonded Turntrans-86.9-50-176.2-63.70000113D108D108-C110 PolarHBondContact O-N 2.72Å; D108-C110 VanDerWaalsContact O-N 3.15Å; D108-C110 PolarHBondContact OD2-N 3.04Å
111T90.1Very high94.5Very high69 Ų6937.4 Ų37.442%0.42321%0.208SC..THydrogen-bonded Turntrans-96.7-13.4-169.161.70000114.5D108 R113D108-T111 VanDerWaalsContact CB-OG1 3.32Å; D108-T111 WeakPolarHBondContact CB-OG1 3.12Å; D108-T111 VanDerWaalsContact OD2-CB 3.3Å; D108-T111 WeakPolarHBondContact OD2-CB 3.45Å; D108-T111 WeakPolarHBondContact OD2-CG2 3.39Å; D108-T111 PolarHBondContact OD2-N 3.4Å; D108-T111 PolarHBondContact OD2-OG1 3.09Å; T111-R113 PolarHBondContact O-N 2.78Å
112K92.4Very high94.3Very high94 Ų9435.1 Ų35.141%0.40919%0.194SC..  trans64.410-176.3-52.2-61.9178.4-167.50115.3C52 E107 D108C52-K112 PolarHBondContact N-O 2.67Å; E107-K112 HydrophobicContact CG-CB 4.47Å; E107-K112 HydrophobicContact CG-CD 4.21Å; E107-K112 WeakPolarHBondContact OE1-CD 3.32Å; E107-K112 WeakPolarHBondContact OE1-CE 3.36Å; E107-K112 IonicContact OE1-NZ 2.64Å; E107-K112 PolarHBondContact OE1-NZ 3.3Å; D108-K112 WeakPolarHBondContact O-CA 3.48Å; D108-K112 PolarHBondContact O-N 2.88Å
113R92.5Very high94.2Very high114 Ų11431.2 Ų31.243%0.4317%0.168SC..BIsolated β-bridgetrans-90.2158.9177.2-64.3-179.2177.7-165.1-12.5111.1D49 D108 T111D49-R113 WeakPolarHBondContact OD1-CD 3.46Å; D49-R113 IonicContact OD1-CZ 3.71Å; D49-R113 IonicContact OD1-NE 3.41Å; D49-R113 PolarHBondContact OD1-NE 3.01Å; D49-R113 IonicContact OD1-NH1 3.36Å; D49-R113 PolarHBondContact OD1-NH1 3.45Å; D49-R113 IonicContact OD1-NH2 2.9Å; D49-R113 IonicContact OD2-CZ 3.3Å; D49-R113 IonicContact OD2-NH1 3.17Å; D49-R113 PolarHBondContact OD2-NH1 3.23Å; D49-R113 IonicContact OD2-NH2 3.77Å; D108-R113 PolarHBondContact N-O 2.89Å; T111-R113 PolarHBondContact O-N 2.78Å
114L94.5Very high94Very high4 Ų430.9 Ų30.92%0.02117%0.166CC..EExtended strand (participates in β ladder)trans-66.2136.4174.4-166.668.7000110.4I47 C52 I55 Y77 I105I47-L114 HydrophobicContact CD1-CD2 4.32Å; I47-L114 HydrophobicContact CG2-CB 3.92Å; I47-L114 HydrophobicContact CG2-CD2 4.23Å; I47-L114 HydrophobicContact CG2-CG 4.15Å; I47-L114 WeakPolarHBondContact CG2-O 3.47Å; C52-L114 VanDerWaalsContact SG-CA 3.57Å; I55-L114 HydrophobicContact CD1-CB 4.35Å; I55-L114 HydrophobicContact CD1-CD1 4.19Å; I55-L114 HydrophobicContact CD1-CD2 3.83Å; I55-L114 HydrophobicContact CD1-CG 4.37Å; Y77-L114 HydrophobicContact CD1-CD1 3.91Å; Y77-L114 HydrophobicContact CD2-CD1 3.65Å; Y77-L114 HydrophobicContact CE1-CD1 4.45Å; Y77-L114 HydrophobicContact CE2-CD1 4.24Å; Y77-L114 HydrophobicContact CG-CD1 3.47Å; Y77-L114 VanDerWaalsContact CG-CD1 3.47Å; I105-L114 HydrophobicContact CD1-CD1 4Å; I105-L114 HydrophobicContact CD1-CD2 3.85Å; I105-L114 HydrophobicContact CD1-CG 3.99Å; I105-L114 HydrophobicContact CG1-CD1 3.88Å; I105-L114 HydrophobicContact CG1-CG 4.14Å
115V95.5Very high93.8Very high5 Ų531 Ų313%0.0317%0.167CC..EExtended strand (participates in β ladder)trans-145.2160.8177.4-71.70000110.7I105 G106 D108 C130 I135I105-V115 WeakPolarHBondContact CA-O 3.38Å; I105-V115 VanDerWaalsContact CG1-O 3.25Å; I105-V115 WeakPolarHBondContact CG1-O 3.45Å; G106-V115 PolarHBondContact N-O 3.37Å; G106-V115 WeakPolarHBondContact O-CG2 3.4Å; G106-V115 PolarHBondContact O-N 3.14Å; D108-V115 HydrophobicContact CB-CG1 3.84Å; D108-V115 HydrophobicContact CB-CG2 3.89Å; V115-C130 HydrophobicContact CB-CB 3.62Å; V115-C130 HydrophobicContact CG1-CB 4.15Å; V115-C130 HydrophobicContact CG2-CB 3.54Å; V115-I135 HydrophobicContact CG2-CG1 4.03Å
116V96.6Very high93.4Very high1 Ų132.5 Ų32.51%0.00617%0.174CC..EExtended strand (participates in β ladder)trans-131.8143.2-175.565.40000112.6I47 I105 I118 F123 V128 F129 C130 F141I47-V116 HydrophobicContact CD1-CB 4.14Å; I47-V116 HydrophobicContact CD1-CG1 4.13Å; I47-V116 HydrophobicContact CG1-CG1 4.16Å; I105-V116 HydrophobicContact CG1-CB 4.35Å; V116-I118 VanDerWaalsContact C-N 3.35Å; V116-I118 HydrophobicContact CG2-CB 4.35Å; V116-I118 HydrophobicContact CG2-CD1 3.84Å; V116-I118 HydrophobicContact CG2-CG1 3.85Å; V116-I118 PolarHBondContact O-N 2.71Å; V116-F123 HydrophobicContact CG1-CB 3.86Å; V116-F123 HydrophobicContact CG1-CD1 3.26Å; V116-F123 HydrophobicContact CG1-CD2 4.44Å; V116-F123 HydrophobicContact CG1-CE1 3.82Å; V116-F123 HydrophobicContact CG1-CG 3.59Å; V116-V128 HydrophobicContact CG1-CG2 4.49Å; V116-V128 PolarHBondContact N-O 3.4Å; V116-F129 WeakPolarHBondContact O-CA 3.5Å; V116-C130 PolarHBondContact O-N 2.81Å; V116-F141 HydrophobicContact CG2-CE1 4.45Å; V116-F141 HydrophobicContact CG2-CZ 4.42Å
117G95.9Very high93.2Very high14 Ų1433 Ų3314%0.14418%0.179CC..  trans-91.223.7-17800000115S104 P119 C130S104-G117 PolarHBondContact O-N 3.12Å; G117-P119 WeakPolarHBondContact O-CD 3.35Å; G117-C130 WeakPolarHBondContact CA-O 3.43Å
118I95.8Very high93.1Very high0 Ų032.3 Ų32.30%018%0.177CC..  trans-91114.7177-60.4164.9000108.6M45 Y103 V116 E120 F123 F129 F141 L143M45-I118 HydrophobicContact CE-CD1 3.96Å; Y103-I118 HydrophobicContact CD1-CB 4.29Å; Y103-I118 HydrophobicContact CD1-CG1 3.6Å; Y103-I118 HydrophobicContact CD2-CD1 4.17Å; Y103-I118 HydrophobicContact CD2-CG1 3.8Å; Y103-I118 HydrophobicContact CE1-CB 4.46Å; Y103-I118 HydrophobicContact CE1-CG1 4.1Å; Y103-I118 HydrophobicContact CE1-CG2 4.27Å; Y103-I118 HydrophobicContact CE2-CG1 4.26Å; Y103-I118 HydrophobicContact CG-CD1 4.21Å; Y103-I118 HydrophobicContact CG-CG1 3.43Å; Y103-I118 VanDerWaalsContact CG-CG1 3.43Å; V116-I118 VanDerWaalsContact C-N 3.35Å; V116-I118 HydrophobicContact CG2-CB 4.35Å; V116-I118 HydrophobicContact CG2-CD1 3.84Å; V116-I118 HydrophobicContact CG2-CG1 3.85Å; V116-I118 PolarHBondContact O-N 2.71Å; I118-E120 HydrophobicContact CG2-CB 3.86Å; I118-E120 HydrophobicContact CG2-CG 3.78Å; I118-E120 PolarHBondContact O-N 3.06Å; I118-F123 HydrophobicContact CB-CD2 3.55Å; I118-F123 HydrophobicContact CB-CE2 3.52Å; I118-F123 HydrophobicContact CB-CG 4.42Å; I118-F123 HydrophobicContact CB-CZ 4.33Å; I118-F123 HydrophobicContact CD1-CD2 4.37Å; I118-F123 HydrophobicContact CD1-CE1 4.45Å; I118-F123 HydrophobicContact CD1-CE2 3.53Å; I118-F123 HydrophobicContact CD1-CZ 3.56Å; I118-F123 HydrophobicContact CG1-CE2 4.11Å; I118-F123 HydrophobicContact CG2-CD2 3.71Å; I118-F123 HydrophobicContact CG2-CE2 3.52Å; I118-F129 WeakPolarHBondContact O-CD2 3.43Å; I118-F141 HydrophobicContact CD1-CZ 3.91Å; I118-L143 HydrophobicContact CD1-CD2 3.86Å
119P93.7Very high93.1Very high43 Ų4331.8 Ų31.828%0.27918%0.175SC..  trans-78.742.2-175.735.7-37.9000111.8G117 F129 M227 A230G117-P119 WeakPolarHBondContact O-CD 3.35Å; P119-F129 HydrophobicContact CB-CE2 3.91Å; P119-F129 HydrophobicContact CB-CZ 4.17Å; P119-M227 HydrophobicContact CB-CG 4.25Å; P119-M227 HydrophobicContact CG-CG 4.32Å; P119-A230 HydrophobicContact CB-CB 3.79Å
120E92.6Very high93.2Very high11 Ų1128.2 Ų28.25%0.05116%0.156CC..SBendtrans-101.9150.8-178.6-78.6-164-103.100112.6L95 L96 R98 I118 Y122 F123 Y124L95-E120 HydrophobicContact CD2-CB 4.44Å; L96-E120 WeakPolarHBondContact CB-OE2 3.42Å; L96-E120 PolarHBondContact N-OE2 3.26Å; R98-E120 IonicContact CZ-OE1 2.68Å; R98-E120 IonicContact NE-OE1 3.58Å; R98-E120 PolarHBondContact NE-OE1 2.94Å; R98-E120 IonicContact NH2-OE1 3.48Å; R98-E120 PolarHBondContact NH2-OE1 3.05Å; R98-E120 IonicContact NH2-OE2 2.67Å; R98-E120 PolarHBondContact NH2-OE2 3.27Å; I118-E120 HydrophobicContact CG2-CB 3.86Å; I118-E120 HydrophobicContact CG2-CG 3.78Å; I118-E120 PolarHBondContact O-N 3.06Å; E120-Y122 PolarHBondContact O-N 3.5Å; E120-F123 HydrophobicContact CB-CD2 4.09Å; E120-F123 HydrophobicContact CB-CE2 4.43Å; E120-F123 PolarHBondContact O-N 3.21Å; E120-Y124 WeakPolarHBondContact O-CD1 3.5Å; E120-Y124 VanDerWaalsContact O-CE1 3.31Å; E120-Y124 WeakPolarHBondContact O-CE1 3.39Å; E120-Y124 PolarHBondContact O-N 3.36Å
121S91.1Very high93.4Very high15 Ų1523.8 Ų23.811%0.10513%0.125CC..THydrogen-bonded Turntrans-64.1417178.70000110.9Y124 S431 L432 K433S121-Y124 WeakPolarHBondContact CB-OH 3.43Å; S121-S431 WeakPolarHBondContact CB-O 3.15Å; S121-S431 PolarHBondContact OG-O 2.96Å; S121-L432 VanDerWaalsContact CB-CD2 3.49Å; S121-L432 VanDerWaalsContact O-CA 3.3Å; S121-L432 WeakPolarHBondContact O-CA 3.35Å; S121-L432 WeakPolarHBondContact O-CD2 3.5Å; S121-K433 VanDerWaalsContact O-CD 3.3Å; S121-K433 WeakPolarHBondContact O-CD 3.17Å; S121-K433 WeakPolarHBondContact O-CE 3.32Å; S121-K433 WeakPolarHBondContact O-CG 3.41Å; S121-K433 PolarHBondContact O-N 2.82Å; S121-K433 PolarHBondContact O-NZ 3.12Å
122Y92.2Very high93.5Very high3 Ų325 Ų251%0.01213%0.126CC..THydrogen-bonded Turntrans-87.6-22.1162.3-171.5-98.6000115.6P43 M45 Q94 L95 E120 K433 V434P43-Y122 HydrophobicContact CB-CE1 4.37Å; P43-Y122 HydrophobicContact CB-CE2 4.28Å; P43-Y122 HydrophobicContact CG-CD2 4.19Å; P43-Y122 HydrophobicContact CG-CE1 4.46Å; P43-Y122 HydrophobicContact CG-CE2 3.58Å; M45-Y122 HydrophobicContact CB-CE1 3.83Å; M45-Y122 PolarHBondContact N-OH 2.87Å; Q94-Y122 HydrophobicContact CB-CD2 4.05Å; Q94-Y122 HydrophobicContact CB-CE2 4.24Å; L95-Y122 HydrophobicContact CD2-CD1 3.93Å; L95-Y122 HydrophobicContact CD2-CD2 4.46Å; L95-Y122 HydrophobicContact CD2-CG 3.67Å; L95-Y122 HydrophobicContact CG-CD1 4.48Å; L95-Y122 HydrophobicContact CG-CG 4.15Å; E120-Y122 PolarHBondContact O-N 3.5Å; Y122-K433 WeakPolarHBondContact O-CD 3.37Å; Y122-K433 WeakPolarHBondContact O-CE 3.3Å; Y122-K433 VanDerWaalsContact O-CG 3.29Å; Y122-K433 WeakPolarHBondContact O-CG 3.35Å; Y122-V434 HydrophobicContact CD1-CG2 3.55Å; Y122-V434 HydrophobicContact CD2-CG2 3.98Å; Y122-V434 HydrophobicContact CE1-CB 4.49Å; Y122-V434 HydrophobicContact CE1-CG2 3.07Å; Y122-V434 HydrophobicContact CE2-CB 4.35Å; Y122-V434 HydrophobicContact CE2-CG2 3.51Å; Y122-V434 HydrophobicContact CG-CG2 4.01Å; Y122-V434 WeakPolarHBondContact O-CG2 3.41Å; Y122-V434 WeakPolarHBondContact OH-CG2 3.23Å
123F94.6Very high93.6Very high0 Ų028.3 Ų28.30%014%0.142CC..THydrogen-bonded Turntrans-111.3-48.3-178.1-53.8-78.4000116.6M45 L95 V116 I118 E120 N125 D126 G127 V128 F129 K433M45-F123 HydrophobicContact CB-CE1 4.33Å; M45-F123 HydrophobicContact CB-CZ 4.33Å; M45-F123 HydrophobicContact CE-CE1 4.34Å; M45-F123 HydrophobicContact CE-CZ 3.91Å; M45-F123 WeakPolarHBondContact O-CE1 3.46Å; L95-F123 HydrophobicContact CD2-CE2 3.8Å; L95-F123 HydrophobicContact CD2-CZ 4.31Å; V116-F123 HydrophobicContact CG1-CB 3.86Å; V116-F123 HydrophobicContact CG1-CD1 3.26Å; V116-F123 HydrophobicContact CG1-CD2 4.44Å; V116-F123 HydrophobicContact CG1-CE1 3.82Å; V116-F123 HydrophobicContact CG1-CG 3.59Å; I118-F123 HydrophobicContact CB-CD2 3.55Å; I118-F123 HydrophobicContact CB-CE2 3.52Å; I118-F123 HydrophobicContact CB-CG 4.42Å; I118-F123 HydrophobicContact CB-CZ 4.33Å; I118-F123 HydrophobicContact CD1-CD2 4.37Å; I118-F123 HydrophobicContact CD1-CE1 4.45Å; I118-F123 HydrophobicContact CD1-CE2 3.53Å; I118-F123 HydrophobicContact CD1-CZ 3.56Å; I118-F123 HydrophobicContact CG1-CE2 4.11Å; I118-F123 HydrophobicContact CG2-CD2 3.71Å; I118-F123 HydrophobicContact CG2-CE2 3.52Å; E120-F123 HydrophobicContact CB-CD2 4.09Å; E120-F123 HydrophobicContact CB-CE2 4.43Å; E120-F123 PolarHBondContact O-N 3.21Å; F123-N125 PolarHBondContact O-N 3.33Å; F123-N125 VanDerWaalsContact O-N 3.1Å; F123-D126 PolarHBondContact O-N 3.42Å; F123-D126 VanDerWaalsContact O-N 3.14Å; F123-G127 PolarHBondContact O-N 3.44Å; F123-V128 HydrophobicContact CB-CG2 4.05Å; F123-V128 HydrophobicContact CD1-CG2 4.29Å; F123-V128 WeakPolarHBondContact O-CG2 3.37Å; F123-V128 PolarHBondContact O-N 2.98Å; F123-F129 HydrophobicContact CB-CB 4.46Å; F123-K433 VanDerWaalsContact CA-CE 3.47Å
124Y93.4Very high93.6Very high25 Ų2525.6 Ų25.610%0.09814%0.136CC..THydrogen-bonded Turntrans-65.5-6.7-178.665.8-113.4000120.3E120 S121 A230 L233 N234E120-Y124 WeakPolarHBondContact O-CD1 3.5Å; E120-Y124 VanDerWaalsContact O-CE1 3.31Å; E120-Y124 WeakPolarHBondContact O-CE1 3.39Å; E120-Y124 PolarHBondContact O-N 3.36Å; S121-Y124 WeakPolarHBondContact CB-OH 3.43Å; Y124-A230 HydrophobicContact CD1-CB 3.54Å; Y124-A230 HydrophobicContact CE1-CB 4.08Å; Y124-A230 HydrophobicContact CG-CB 4.18Å; Y124-L233 HydrophobicContact CD2-CB 3.8Å; Y124-L233 HydrophobicContact CD2-CD1 4.35Å; Y124-L233 HydrophobicContact CE2-CB 4.05Å; Y124-L233 HydrophobicContact CE2-CD1 3.77Å; Y124-N234 WeakPolarHBondContact CA-OD1 3.45Å; Y124-N234 WeakPolarHBondContact O-CA 3.24Å
125N92.1Very high93.7Very high7 Ų726 Ų264%0.03714%0.138CC..THydrogen-bonded Turntrans-108.8-3.6178.2-65.9-2000109.6F123 G127 P203 R237 L432 K433F123-N125 PolarHBondContact O-N 3.33Å; F123-N125 VanDerWaalsContact O-N 3.1Å; N125-G127 VanDerWaalsContact C-N 3.33Å; N125-P203 HydrophobicContact CB-CB 3.66Å; N125-P203 HydrophobicContact CB-CG 3.69Å; N125-P203 WeakPolarHBondContact ND2-CB 3.26Å; N125-R237 WeakPolarHBondContact O-CD 3.41Å; N125-R237 VanDerWaalsContact O-CG 3.25Å; N125-R237 WeakPolarHBondContact O-CG 3.2Å; N125-R237 PolarHBondContact O-NE 2.9Å; N125-L432 HydrophobicContact CB-CD2 4.14Å; N125-L432 WeakPolarHBondContact ND2-CD1 3.46Å; N125-L432 WeakPolarHBondContact ND2-CD2 3.42Å; N125-L432 WeakPolarHBondContact ND2-CG 3.42Å; N125-K433 VanDerWaalsContact C-CD 3.43Å; N125-K433 VanDerWaalsContact CA-NZ 3.35Å; N125-K433 HydrophobicContact CB-CD 3.35Å; N125-K433 HydrophobicContact CB-CG 3.97Å; N125-K433 PolarHBondContact OD1-NZ 3.16Å
126D89Confident93.6Very high32 Ų3227.3 Ų27.317%0.17115%0.148CC..THydrogen-bonded Turntrans-95.9-5.6162.5-165.936.5000109.2F123 V128 K433F123-D126 PolarHBondContact O-N 3.42Å; F123-D126 VanDerWaalsContact O-N 3.14Å; D126-V128 HydrophobicContact CB-CG1 4.41Å; D126-V128 HydrophobicContact CB-CG2 4.2Å; D126-K433 HydrophobicContact CB-CD 4.12Å
127G92.3Very high93.3Very high10 Ų1030.9 Ų30.910%0.10317%0.173CC..THydrogen-bonded Turntrans76.623.1179.800000112.9F123 N125 N234 K238F123-G127 PolarHBondContact O-N 3.44Å; N125-G127 VanDerWaalsContact C-N 3.33Å; G127-N234 WeakPolarHBondContact CA-OD1 3.34Å; G127-K238 WeakPolarHBondContact O-CE 3.49Å
128V93.5Very high93.3Very high19 Ų1932.7 Ų32.712%0.11518%0.182CC..  trans-112.42.6-173.8-56.80000113.6I47 V116 F123 D126 N234I47-V128 HydrophobicContact CB-CB 3.88Å; I47-V128 HydrophobicContact CB-CG1 3.92Å; I47-V128 HydrophobicContact CB-CG2 4Å; I47-V128 HydrophobicContact CG1-CB 3.87Å; I47-V128 HydrophobicContact CG1-CG1 4.45Å; I47-V128 HydrophobicContact CG1-CG2 3.62Å; I47-V128 HydrophobicContact CG2-CB 4.2Å; I47-V128 HydrophobicContact CG2-CG1 4.21Å; V116-V128 HydrophobicContact CG1-CG2 4.49Å; V116-V128 PolarHBondContact N-O 3.4Å; F123-V128 HydrophobicContact CB-CG2 4.05Å; F123-V128 HydrophobicContact CD1-CG2 4.29Å; F123-V128 WeakPolarHBondContact O-CG2 3.37Å; F123-V128 PolarHBondContact O-N 2.98Å; D126-V128 HydrophobicContact CB-CG1 4.41Å; D126-V128 HydrophobicContact CB-CG2 4.2Å; V128-N234 PolarHBondContact N-OD1 2.86Å
129F95.2Very high93.3Very high1 Ų133.5 Ų33.50%0.00419%0.187CC..BIsolated β-bridgetrans-73.9139.4172173.6-105.3000110.8V116 I118 P119 F123 M131 A230 H231 N234V116-F129 WeakPolarHBondContact O-CA 3.5Å; I118-F129 WeakPolarHBondContact O-CD2 3.43Å; P119-F129 HydrophobicContact CB-CE2 3.91Å; P119-F129 HydrophobicContact CB-CZ 4.17Å; F123-F129 HydrophobicContact CB-CB 4.46Å; F129-M131 HydrophobicContact CE1-SD 3.89Å; F129-M131 HydrophobicContact CZ-SD 3.73Å; F129-A230 HydrophobicContact CD1-CB 3.92Å; F129-A230 HydrophobicContact CE1-CB 3.7Å; F129-A230 HydrophobicContact CE2-CB 4.38Å; F129-A230 HydrophobicContact CG-CB 4.36Å; F129-A230 HydrophobicContact CZ-CB 3.94Å; F129-H231 HydrophobicContact CE1-CB 3.98Å; F129-N234 HydrophobicContact CB-CB 4.21Å; F129-N234 HydrophobicContact CD1-CB 4.16Å; F129-N234 PolarHBondContact N-OD1 2.85Å; F129-N234 VanDerWaalsContact N-OD1 3.15Å; F129-N234 PolarHBondContact O-ND2 2.99Å
130C95Very high93.5Very high7 Ų736 Ų365%0.04719%0.193CC..  trans-141.6144.7174.1-163.40000110.8V115 V116 G117 D134 I135V115-C130 HydrophobicContact CB-CB 3.62Å; V115-C130 HydrophobicContact CG1-CB 4.15Å; V115-C130 HydrophobicContact CG2-CB 3.54Å; V116-C130 PolarHBondContact O-N 2.81Å; G117-C130 WeakPolarHBondContact CA-O 3.43Å; C130-D134 WeakPolarHBondContact SG-CB 3.37Å; C130-I135 HydrophobicContact CB-CD1 4.32Å; C130-I135 HydrophobicContact CB-CG1 3.99Å
131M94.2Very high93.8Very high26 Ų2635.6 Ų35.613%0.12819%0.191CC..  trans-72148.6175.2-68.3-61.8-147.400109.6F129 E133 D134 I135 M227 H231F129-M131 HydrophobicContact CE1-SD 3.89Å; F129-M131 HydrophobicContact CZ-SD 3.73Å; M131-E133 HydrophobicContact CB-CG 3.97Å; M131-E133 PolarHBondContact O-N 3.24Å; M131-D134 PolarHBondContact O-N 3.47Å; M131-I135 WeakPolarHBondContact O-CG1 3.45Å; M131-I135 PolarHBondContact O-N 3.04Å; M131-M227 HydrophobicContact CE-CB 3.92Å; M131-M227 WeakPolarHBondContact CE-O 3.37Å; M131-M227 HydrophobicContact SD-CB 4.14Å; M131-M227 HydrophobicContact SD-CE 3.83Å; M131-H231 HydrophobicContact CE-CB 3.59Å; M131-H231 HydrophobicContact CG-CB 4.37Å; M131-H231 HydrophobicContact SD-CB 4.34Å
132E92.3Very high94.2Very high95 Ų9535.2 Ų35.244%0.44419%0.19SC..G310 helixtrans-59.6-32.6-176.5-175.5163.6-170.900113.3S104 D134 I135 K140S104-E132 PolarHBondContact OG-OE1 3.06Å; E132-D134 PolarHBondContact O-N 2.98Å; E132-I135 PolarHBondContact O-N 3.03Å; E132-K140 VanDerWaalsContact CD-NZ 3.35Å; E132-K140 WeakPolarHBondContact OE1-CE 3.49Å; E132-K140 IonicContact OE1-NZ 3.27Å; E132-K140 PolarHBondContact OE1-NZ 3.48Å; E132-K140 IonicContact OE2-NZ 3.96Å; E132-K140 PolarHBondContact OE2-NZ 3.48Å
133E92.8Very high94.5Very high162 Ų16235.1 Ų35.176%0.75719%0.19SC*.G310 helixtrans-65.6-24.417559.3-169.7-149.600114.2M131M131-E133 HydrophobicContact CB-CG 3.97Å; M131-E133 PolarHBondContact O-N 3.24Å
134D94.3Very high94.6Very high58 Ų5835.2 Ų35.231%0.3119%0.191SC..G310 helixtrans-96.40.8-179.7-68.6-36.4000112.6L109 C130 M131 E132L109-D134 VanDerWaalsContact CG-O 3.3Å; L109-D134 WeakPolarHBondContact CG-O 3.4Å; L109-D134 PolarHBondContact N-O 3.07Å; L109-D134 VanDerWaalsContact N-O 3.09Å; C130-D134 WeakPolarHBondContact SG-CB 3.37Å; M131-D134 PolarHBondContact O-N 3.47Å; E132-D134 PolarHBondContact O-N 2.98Å
135I95Very high94.9Very high11 Ų1134.2 Ų34.26%0.05619%0.187CC..EExtended strand (participates in β ladder)trans-96.2117.4178.7-63.5173.3000110.2V115 C130 M131 E132 P138V115-I135 HydrophobicContact CG2-CG1 4.03Å; C130-I135 HydrophobicContact CB-CD1 4.32Å; C130-I135 HydrophobicContact CB-CG1 3.99Å; M131-I135 WeakPolarHBondContact O-CG1 3.45Å; M131-I135 PolarHBondContact O-N 3.04Å; E132-I135 PolarHBondContact O-N 3.03Å; I135-P138 HydrophobicContact CG2-CB 4.05Å
136S94.1Very high95.1Very high34 Ų3434 Ų3424%0.23819%0.186CC..EExtended strand (participates in β ladder)trans-81.5143.3166.5-158.50000111.5E107E107-S136 PolarHBondContact N-O 2.94Å; E107-S136 WeakPolarHBondContact O-CA 3.39Å; E107-S136 WeakPolarHBondContact O-CB 3.11Å; E107-S136 PolarHBondContact O-N 2.86Å
137S90.8Very high95.4Very high76 Ų7634.2 Ų34.253%0.53119%0.189SC..EExtended strand (participates in β ladder)trans50.655.6177.9-53.50000113.8V139S137-V139 PolarHBondContact O-N 3.24Å
138P95.4Very high95.6Very high51 Ų5134 Ų3433%0.33119%0.186SC..EExtended strand (participates in β ladder)trans-64.5135.3-175.227.1-35000112.4I135 R619I135-P138 HydrophobicContact CG2-CB 4.05Å; P138-R619 PolarHBondContact O-NH1 3.07Å
139V96.7Very high95.6Very high18 Ų1835.4 Ų35.411%0.10919%0.191CC..EExtended strand (participates in β ladder)trans-108.3116.5170.3179.20000108.6I76 Y77 S104 I105 S137I76-V139 WeakPolarHBondContact O-CG1 3.18Å; Y77-V139 HydrophobicContact CD2-CG2 4.08Å; Y77-V139 HydrophobicContact CE2-CG2 4.33Å; S104-V139 WeakPolarHBondContact CA-O 3.13Å; I105-V139 HydrophobicContact CG2-CB 3.99Å; I105-V139 HydrophobicContact CG2-CG1 4.47Å; I105-V139 PolarHBondContact N-O 3.32Å; I105-V139 PolarHBondContact O-N 3.19Å; S137-V139 PolarHBondContact O-N 3.24Å
140K97.6Very high95.4Very high94 Ų9442.9 Ų42.941%0.40923%0.226SC..EExtended strand (participates in β ladder)trans-79.9137.1176-66.6-69.5-177.21790110Y103 S104 E132Y103-K140 VanDerWaalsContact O-CA 3.3Å; Y103-K140 WeakPolarHBondContact O-CA 3.34Å; S104-K140 WeakPolarHBondContact OG-CD 3.37Å; S104-K140 WeakPolarHBondContact OG-CE 3.11Å; S104-K140 PolarHBondContact OG-NZ 3.12Å; E132-K140 VanDerWaalsContact CD-NZ 3.35Å; E132-K140 WeakPolarHBondContact OE1-CE 3.49Å; E132-K140 IonicContact OE1-NZ 3.27Å; E132-K140 PolarHBondContact OE1-NZ 3.48Å; E132-K140 IonicContact OE2-NZ 3.96Å; E132-K140 PolarHBondContact OE2-NZ 3.48Å
141F98.3Very high94.9Very high3 Ų343.8 Ų43.81%0.01323%0.231CC..EExtended strand (participates in β ladder)trans-147.7152.7174.674.1-78.6000110.7M45 I76 D82 C102 Y103 I105 V116 I118 L143M45-F141 HydrophobicContact CE-CE2 3.82Å; M45-F141 HydrophobicContact CE-CZ 3.86Å; I76-F141 HydrophobicContact CD1-CD2 3.88Å; I76-F141 HydrophobicContact CD1-CE2 3.87Å; I76-F141 HydrophobicContact CD1-CG 4.36Å; I76-F141 HydrophobicContact CD1-CZ 4.35Å; I76-F141 HydrophobicContact CG2-CB 3.51Å; I76-F141 HydrophobicContact CG2-CD1 3.59Å; I76-F141 HydrophobicContact CG2-CD2 4.03Å; I76-F141 HydrophobicContact CG2-CE1 4.28Å; I76-F141 HydrophobicContact CG2-CG 3.43Å; I76-F141 VanDerWaalsContact CG2-CG 3.43Å; D82-F141 CarbonylContact O-C 3.22Å; D82-F141 VanDerWaalsContact O-CA 3.24Å; D82-F141 WeakPolarHBondContact O-CA 3.42Å; C102-F141 WeakPolarHBondContact CA-O 3.43Å; Y103-F141 PolarHBondContact N-O 3Å; Y103-F141 PolarHBondContact O-N 2.98Å; I105-F141 HydrophobicContact CB-CD1 4.38Å; I105-F141 HydrophobicContact CB-CE1 4Å; I105-F141 HydrophobicContact CG2-CD1 4.17Å; I105-F141 HydrophobicContact CG2-CE1 4.27Å; V116-F141 HydrophobicContact CG2-CE1 4.45Å; V116-F141 HydrophobicContact CG2-CZ 4.42Å; I118-F141 HydrophobicContact CD1-CZ 3.91Å; F141-L143 HydrophobicContact CE2-CB 4.27Å
142G98.3Very high94.3Very high8 Ų846.4 Ų46.48%0.08225%0.246CC..EExtended strand (participates in β ladder)trans-88.8144.1173.800000112.5D82 H83 V84 T101D82-G142 PolarHBondContact O-N 3.03Å; H83-G142 CarbonylContact C-O 3.49Å; H83-G142 VanDerWaalsContact CA-O 3.23Å; H83-G142 WeakPolarHBondContact CA-O 3.49Å; H83-G142 PolarHBondContact CD2-O 3.28Å; V84-G142 PolarHBondContact N-O 3.5Å; T101-G142 CarbonylContact O-C 3.4Å; T101-G142 WeakPolarHBondContact O-CA 3.34Å
143L98.6Very high93.5Very high0 Ų046.6 Ų46.60%025%0.254CS..EExtended strand (participates in β ladder)trans-128.4127.2172.2179.861.6000109.3M45 V84 T101 Y103 I118 F141 V145M45-L143 HydrophobicContact SD-CD1 3.75Å; M45-L143 HydrophobicContact SD-CD2 4.3Å; V84-L143 HydrophobicContact CB-CD1 4.14Å; V84-L143 HydrophobicContact CG1-CD1 4.3Å; V84-L143 WeakPolarHBondContact O-CA 3.49Å; T101-L143 PolarHBondContact N-O 3.2Å; T101-L143 PolarHBondContact O-N 2.87Å; Y103-L143 HydrophobicContact CD2-CB 4.02Å; Y103-L143 HydrophobicContact CE2-CB 4.17Å; Y103-L143 HydrophobicContact CE2-CD2 4.36Å; I118-L143 HydrophobicContact CD1-CD2 3.86Å; F141-L143 HydrophobicContact CE2-CB 4.27Å; L143-V145 HydrophobicContact CD1-CG2 4.09Å; L143-V145 HydrophobicContact CD2-CG2 4.28Å; L143-V145 HydrophobicContact CG-CG2 4.01Å
144T98.4Very high93.1Very high3 Ų346 Ų462%0.01826%0.255CS..EExtended strand (participates in β ladder)trans-120.3130.6170-54.70000107.6H83 V84 I85 W86 P100 I161H83-T144 PolarHBondContact NE2-OG1 2.93Å; V84-T144 PolarHBondContact O-N 2.84Å; I85-T144 CarbonylContact C-O 3.53Å; I85-T144 WeakPolarHBondContact CA-O 3.2Å; I85-T144 HydrophobicContact CG2-CG2 4.31Å; W86-T144 PolarHBondContact N-O 3.04Å; P100-T144 WeakPolarHBondContact CA-OG1 3.42Å; P100-T144 HydrophobicContact CG-CG2 4.41Å; P100-T144 WeakPolarHBondContact CG-OG1 3.23Å; T144-I161 HydrophobicContact CG2-CG1 4.48Å
145V98.1Very high92.9Very high3 Ų344.5 Ų44.52%0.01825%0.248CC..EExtended strand (participates in β ladder)trans-126.2122.5177.6-179.10000108W86 L95 N97 R98 L143W86-V145 HydrophobicContact CE3-CG1 3.57Å; W86-V145 HydrophobicContact CE3-CG2 4.29Å; W86-V145 HydrophobicContact CZ3-CG1 3.96Å; L95-V145 HydrophobicContact CB-CG1 4.25Å; L95-V145 HydrophobicContact CB-CG2 4.17Å; L95-V145 HydrophobicContact CD1-CG2 4.2Å; N97-V145 WeakPolarHBondContact CA-O 3.02Å; N97-V145 PolarHBondContact OD1-O 3.34Å; R98-V145 HydrophobicContact CG-CB 4.04Å; R98-V145 HydrophobicContact CG-CG2 4.02Å; R98-V145 PolarHBondContact N-O 3.11Å; R98-V145 PolarHBondContact O-N 3.48Å; R98-V145 VanDerWaalsContact O-N 3.14Å; L143-V145 HydrophobicContact CD1-CG2 4.09Å; L143-V145 HydrophobicContact CD2-CG2 4.28Å; L143-V145 HydrophobicContact CG-CG2 4.01Å
146A96.8Very high92.7Very high3 Ų350.7 Ų50.73%0.02527%0.271CS..EExtended strand (participates in β ladder)trans-147.8148.9-177.100000111.8W86 M87 H88 V157 I161W86-A146 PolarHBondContact O-N 3.47Å; M87-A146 WeakPolarHBondContact CA-O 3.44Å; M87-A146 HydrophobicContact SD-CB 3.95Å; H88-A146 PolarHBondContact CD2-O 2.63Å; H88-A146 VanDerWaalsContact CD2-O 3.27Å; H88-A146 PolarHBondContact N-O 3.17Å; A146-V157 HydrophobicContact CB-CG1 3.48Å; A146-V157 VanDerWaalsContact CB-CG1 3.48Å; A146-I161 HydrophobicContact CB-CD1 4.48Å
147P96.4Very high92.6Very high36 Ų3651.6 Ų51.623%0.23428%0.275CS..EExtended strand (participates in β ladder)trans-74.3147.7172.531.9-33.5000110.7H88 H149H88-P147 CarbonylContact O-C 3.55Å; H88-P147 WeakPolarHBondContact O-CA 3.43Å; P147-H149 PolarHBondContact O-N 2.97Å; P147-H149 PolarHBondContact O-ND1 3.33Å
148I96.3Very high92.7Very high6 Ų648.1 Ų48.13%0.03125%0.251CS..  trans-64.4129.5164.4-56.2167.2000107.8F39 M87 H88 T178 L508 Q511F39-I148 HydrophobicContact CD1-CD1 3.84Å; F39-I148 HydrophobicContact CD1-CG1 3.98Å; F39-I148 HydrophobicContact CE1-CD1 4.43Å; F39-I148 HydrophobicContact CE1-CG1 4.17Å; M87-I148 HydrophobicContact CB-CG1 4.12Å; M87-I148 HydrophobicContact CE-CG1 4.37Å; H88-I148 PolarHBondContact O-N 3.45Å; I148-T178 HydrophobicContact CD1-CG2 3.36Å; I148-L508 HydrophobicContact CB-CD2 4.26Å; I148-L508 HydrophobicContact CG2-CD2 4.02Å; I148-Q511 HydrophobicContact CG2-CB 3.81Å
149H93.9Very high92.6Very high48 Ų4848.6 Ų48.622%0.22225%0.253CS..  trans-154.5165.3-178.463.6-78000110.6P147 T151 C155 C158P147-H149 PolarHBondContact O-N 2.97Å; P147-H149 PolarHBondContact O-ND1 3.33Å; H149-T151 PolarHBondContact O-N 2.95Å; H149-C155 PolarHBondContact NE2-SG 2.78Å; H149-C158 PolarHBondContact NE2-SG 3.01Å; H149-C158 VanDerWaalsContact NE2-SG 3.4Å
150E90.5Very high92.5Very high159 Ų15949.9 Ų49.974%0.74326%0.259SS*.  trans-59.8124.7175.9-171.8-177.1174.700111.4
151T83.2Confident92.4Very high25 Ų2545.4 Ų45.415%0.15324%0.24CC..  trans-78130.6-174.867.30000113.1H149 G514 L515 R518H149-T151 PolarHBondContact O-N 2.95Å; T151-G514 VanDerWaalsContact OG1-C 3.26Å; T151-G514 PolarHBondContact OG1-O 3.42Å; T151-L515 HydrophobicContact CG2-CB 3.63Å; T151-L515 HydrophobicContact CG2-CD1 4.38Å; T151-L515 VanDerWaalsContact CG2-N 3.31Å; T151-R518 PolarHBondContact OG1-NE 3.42Å
152N83.5Confident92.2Very high82 Ų8247.4 Ų47.444%0.43925%0.25SS..  trans-130.2142.7176-174.5-22.1000109.6L154 C155N152-L154 PolarHBondContact O-N 2.89Å; N152-L154 PolarHBondContact OD1-N 3.36Å; N152-C155 HydrophobicContact CB-CB 4.16Å; N152-C155 WeakPolarHBondContact O-CB 3.36Å; N152-C155 PolarHBondContact O-N 2.84Å
153T75.1Confident92Very high99 Ų9951.1 Ų51.161%0.60727%0.274SS*.THydrogen-bonded Turntrans-59.7-25.6173.346.50000113.4
154L83.1Confident91.9Very high149 Ų14952.1 Ų52.178%0.7828%0.28SS*.THydrogen-bonded Turntrans-90.2-1.7176.3-62.1175000112.7N152 R156N152-L154 PolarHBondContact O-N 2.89Å; N152-L154 PolarHBondContact OD1-N 3.36Å; L154-R156 PolarHBondContact O-N 3.32Å
155C90Very high91.9Very high26 Ų2652 Ų5218%0.17628%0.279CS..  trans-73.6119.3177.6-176.80000110.1H149 N152 V157 C158 T159H149-C155 PolarHBondContact NE2-SG 2.78Å; N152-C155 HydrophobicContact CB-CB 4.16Å; N152-C155 WeakPolarHBondContact O-CB 3.36Å; N152-C155 PolarHBondContact O-N 2.84Å; C155-V157 VanDerWaalsContact C-N 3.33Å; C155-V157 PolarHBondContact O-N 3.26Å; C155-C158 HydrophobicContact CB-CB 3.97Å; C155-C158 PolarHBondContact O-N 2.95Å; C155-T159 PolarHBondContact O-N 3.31Å; C155-T159 PolarHBondContact O-OG1 3.39Å
156R91.1Very high91.7Very high142 Ų14256.5 Ų56.554%0.53630%0.302SS..Hα-helixtrans-62.4-40.2177.2-67176.5173.7-162.3-10.9111.8L154 T159 D160 D416L154-R156 PolarHBondContact O-N 3.32Å; R156-T159 WeakPolarHBondContact O-CB 3.44Å; R156-T159 PolarHBondContact O-N 3.08Å; R156-D160 PolarHBondContact O-N 3.38Å; R156-D416 IonicContact CZ-OD2 3.91Å; R156-D416 IonicContact NH1-OD2 3.13Å; R156-D416 PolarHBondContact NH1-OD2 2.93Å; R156-D416 IonicContact NH2-OD2 3.91Å; R156-D416 PolarHBondContact NH2-OD2 3.15Å
157V92.3Very high91.6Very high52 Ų5262.9 Ų62.932%0.31534%0.336SS..Hα-helixtrans-63.7-46.6178.6179.90000111.2A146 C155 T159 D160 I161A146-V157 HydrophobicContact CB-CG1 3.48Å; A146-V157 VanDerWaalsContact CB-CG1 3.48Å; C155-V157 VanDerWaalsContact C-N 3.33Å; C155-V157 PolarHBondContact O-N 3.26Å; V157-T159 VanDerWaalsContact C-N 3.27Å; V157-T159 PolarHBondContact O-N 3.16Å; V157-D160 PolarHBondContact O-N 3.18Å; V157-I161 HydrophobicContact CG1-CD1 3.98Å; V157-I161 WeakPolarHBondContact O-CG1 3.45Å; V157-I161 PolarHBondContact O-N 3.18Å
158C93.2Very high91.5Very high3 Ų365.2 Ų65.22%0.0234%0.344CS..Hα-helixtrans-59.7-41.1174.2-62.50000111.4H149 C155 I161 I162H149-C158 PolarHBondContact NE2-SG 3.01Å; H149-C158 VanDerWaalsContact NE2-SG 3.4Å; C155-C158 HydrophobicContact CB-CB 3.97Å; C155-C158 PolarHBondContact O-N 2.95Å; C158-I161 PolarHBondContact O-N 3.07Å; C158-I162 WeakPolarHBondContact O-CB 3.29Å; C158-I162 WeakPolarHBondContact O-CD1 3.27Å; C158-I162 WeakPolarHBondContact O-CG1 3.2Å; C158-I162 PolarHBondContact O-N 3.31Å
159T93.3Very high91.5Very high62 Ų6266.7 Ų66.738%0.3836%0.355SS..Hα-helixtrans-60.5-46.1176.2-55.50000111.3C155 R156 V157 I161 I162 C163C155-T159 PolarHBondContact O-N 3.31Å; C155-T159 PolarHBondContact O-OG1 3.39Å; R156-T159 WeakPolarHBondContact O-CB 3.44Å; R156-T159 PolarHBondContact O-N 3.08Å; V157-T159 VanDerWaalsContact C-N 3.27Å; V157-T159 PolarHBondContact O-N 3.16Å; T159-I161 PolarHBondContact O-N 3.23Å; T159-I162 PolarHBondContact O-N 2.57Å; T159-C163 WeakPolarHBondContact O-CB 3.16Å; T159-C163 PolarHBondContact O-N 3.32Å; T159-C163 PolarHBondContact O-SG 2.98Å
160D94.3Very high91.7Very high44 Ų4464.4 Ų64.424%0.23534%0.344CS..Hα-helixtrans-60.8-44.6178.7-71.3-16.6000111.7P100 R156 V157 C163 V164P100-D160 HydrophobicContact CG-CB 4.11Å; R156-D160 PolarHBondContact O-N 3.38Å; V157-D160 PolarHBondContact O-N 3.18Å; D160-C163 PolarHBondContact O-N 3Å; D160-V164 WeakPolarHBondContact O-CG2 3.22Å; D160-V164 PolarHBondContact O-N 3.34Å; D160-V164 VanDerWaalsContact O-N 3.12Å
161I95.1Very high92.1Very high1 Ų156.9 Ų56.91%0.00531%0.309CS..Hα-helixtrans-62.2-48.2176.6-66.1160.7000110.8I85 M87 T144 A146 V157 C158 T159 C163 V164 L165 L515I85-I161 HydrophobicContact CD1-CG2 4.13Å; I85-I161 HydrophobicContact CG2-CG1 4.05Å; I85-I161 HydrophobicContact CG2-CG2 4.33Å; M87-I161 HydrophobicContact CE-CD1 4.1Å; M87-I161 HydrophobicContact SD-CD1 3.36Å; M87-I161 WeakPolarHBondContact SD-CD1 3.29Å; M87-I161 HydrophobicContact SD-CG1 4.39Å; T144-I161 HydrophobicContact CG2-CG1 4.48Å; A146-I161 HydrophobicContact CB-CD1 4.48Å; V157-I161 HydrophobicContact CG1-CD1 3.98Å; V157-I161 WeakPolarHBondContact O-CG1 3.45Å; V157-I161 PolarHBondContact O-N 3.18Å; C158-I161 PolarHBondContact O-N 3.07Å; T159-I161 PolarHBondContact O-N 3.23Å; I161-C163 VanDerWaalsContact C-N 3.31Å; I161-C163 PolarHBondContact O-N 3.28Å; I161-V164 PolarHBondContact O-N 2.96Å; I161-L165 HydrophobicContact CG2-CD1 4.01Å; I161-L165 WeakPolarHBondContact O-CG 3.28Å; I161-L165 PolarHBondContact O-N 3.06Å; I161-L165 VanDerWaalsContact O-N 3.11Å; I161-L515 HydrophobicContact CD1-CD2 4.43Å; I161-L515 HydrophobicContact CG2-CD1 4.47Å
162I94.3Very high92.8Very high45 Ų4555.7 Ų55.723%0.23130%0.302CS..Hα-helixtrans-60.5-43.2178.4-69.7164.7000110C158 T159 V164 L165 L166 R518 L519C158-I162 WeakPolarHBondContact O-CB 3.29Å; C158-I162 WeakPolarHBondContact O-CD1 3.27Å; C158-I162 WeakPolarHBondContact O-CG1 3.2Å; C158-I162 PolarHBondContact O-N 3.31Å; T159-I162 PolarHBondContact O-N 2.57Å; I162-V164 VanDerWaalsContact C-N 3.32Å; I162-V164 PolarHBondContact O-N 2.99Å; I162-L165 PolarHBondContact O-N 2.86Å; I162-L166 WeakPolarHBondContact O-CA 3.42Å; I162-L166 VanDerWaalsContact O-CB 3.23Å; I162-L166 WeakPolarHBondContact O-CB 3.41Å; I162-L166 PolarHBondContact O-N 2.94Å; I162-R518 HydrophobicContact CD1-CB 4.21Å; I162-L519 HydrophobicContact CG1-CD2 3.91Å
163C94.9Very high93.6Very high86 Ų8651.8 Ų51.858%0.58128%0.281SS*.Hα-helixtrans-60.1-39.3178.1-76.20000112.9T159 D160 I161T159-C163 WeakPolarHBondContact O-CB 3.16Å; T159-C163 PolarHBondContact O-N 3.32Å; T159-C163 PolarHBondContact O-SG 2.98Å; D160-C163 PolarHBondContact O-N 3Å; I161-C163 VanDerWaalsContact C-N 3.31Å; I161-C163 PolarHBondContact O-N 3.28Å
164V96.8Very high94.7Very high21 Ų2147 Ų4713%0.12725%0.252CS..Hα-helixtrans-68-39176.9172.50000111.6K35 H83 I85 P100 D160 I161 I162 Q168K35-V164 HydrophobicContact CD-CG1 4.2Å; H83-V164 HydrophobicContact CB-CG1 4.15Å; I85-V164 HydrophobicContact CD1-CB 4.04Å; I85-V164 HydrophobicContact CD1-CG1 3.76Å; I85-V164 HydrophobicContact CG1-CG1 4.26Å; P100-V164 HydrophobicContact CB-CG2 3.97Å; P100-V164 HydrophobicContact CG-CG2 3.64Å; D160-V164 WeakPolarHBondContact O-CG2 3.22Å; D160-V164 PolarHBondContact O-N 3.34Å; D160-V164 VanDerWaalsContact O-N 3.12Å; I161-V164 PolarHBondContact O-N 2.96Å; I162-V164 VanDerWaalsContact C-N 3.32Å; I162-V164 PolarHBondContact O-N 2.99Å; V164-Q168 WeakPolarHBondContact O-CG 3.27Å
165L97.4Very high95.4Very high0 Ų040.2 Ų40.20%022%0.216CC..Hα-helixtrans-87-24.6-175-63.2179.4000113.3K35 L37 I85 I161 I162 N167 Q168 F170 L519 H520K35-L165 HydrophobicContact CB-CD2 3.53Å; K35-L165 HydrophobicContact CG-CD2 4.02Å; L37-L165 HydrophobicContact CB-CD1 4.4Å; L37-L165 HydrophobicContact CD2-CD1 4.03Å; I85-L165 HydrophobicContact CD1-CD1 4.01Å; I85-L165 HydrophobicContact CD1-CD2 3.69Å; I85-L165 HydrophobicContact CD1-CG 3.66Å; I161-L165 HydrophobicContact CG2-CD1 4.01Å; I161-L165 WeakPolarHBondContact O-CG 3.28Å; I161-L165 PolarHBondContact O-N 3.06Å; I161-L165 VanDerWaalsContact O-N 3.11Å; I162-L165 PolarHBondContact O-N 2.86Å; L165-N167 PolarHBondContact O-N 2.94Å; L165-Q168 WeakPolarHBondContact O-CB 2.94Å; L165-Q168 PolarHBondContact O-N 2.85Å; L165-F170 HydrophobicContact CD2-CB 3.78Å; L165-F170 HydrophobicContact CD2-CD2 4.43Å; L165-F170 HydrophobicContact CD2-CG 4.03Å; L165-L519 HydrophobicContact CB-CD2 4.31Å; L165-L519 HydrophobicContact CD1-CD1 3.73Å; L165-L519 HydrophobicContact CD1-CD2 3.94Å; L165-L519 HydrophobicContact CD1-CG 4.48Å; L165-H520 PolarHBondContact O-CE1 3.23Å
166L95Very high95.8Very high97 Ų9739 Ų3951%0.50821%0.208SC..THydrogen-bonded Turntrans-53.5120.4-170.4-176.465.6000112.6I162 Q168I162-L166 WeakPolarHBondContact O-CA 3.42Å; I162-L166 VanDerWaalsContact O-CB 3.23Å; I162-L166 WeakPolarHBondContact O-CB 3.41Å; I162-L166 PolarHBondContact O-N 2.94Å; L166-Q168 PolarHBondContact O-N 2.53Å; L166-Q168 VanDerWaalsContact O-N 3.17Å; L166-Q168 PolarHBondContact O-NE2 3.19Å
167N93Very high96.2Very high138 Ų13832.2 Ų32.274%0.73818%0.182SC*.THydrogen-bonded Turntrans58.417.6-177.1-56.9-49.2000114.8L165L165-N167 PolarHBondContact O-N 2.94Å
168Q96.2Very high96.4Very high84 Ų8429.7 Ų29.739%0.39317%0.167SC..SBendtrans-103.6148.5175.3-54.7-53.4-48.100110.8K35 V164 L165 L166 F170 H520K35-Q168 HydrophobicContact CG-CB 3.83Å; K35-Q168 HydrophobicContact CG-CG 4.48Å; V164-Q168 WeakPolarHBondContact O-CG 3.27Å; L165-Q168 WeakPolarHBondContact O-CB 2.94Å; L165-Q168 PolarHBondContact O-N 2.85Å; L166-Q168 PolarHBondContact O-N 2.53Å; L166-Q168 VanDerWaalsContact O-N 3.17Å; L166-Q168 PolarHBondContact O-NE2 3.19Å; Q168-F170 PolarHBondContact O-N 2.99Å; Q168-H520 PolarHBondContact O-CE1 2.95Å; Q168-H520 PolarHBondContact O-NE2 2.67Å
169S95.8Very high96.7Very high38 Ų3829.8 Ų29.827%0.26617%0.167SC..  trans-73.7127.8170.9-170.50000108.9K35 C523K35-S169 PolarHBondContact N-O 3.11Å; S169-C523 PolarHBondContact OG-SG 2.71Å
170F98.1Very high96.9Very high0 Ų026.8 Ų26.80%015%0.149CC..EExtended strand (participates in β ladder)trans-136.2149.3178.376.5-81.2000112.6K35 L37 L165 Q168 L172 L519 H520 P522 C523K35-F170 HydrophobicContact CB-CB 3.76Å; K35-F170 CarbonylContact O-C 3.52Å; K35-F170 WeakPolarHBondContact O-CA 3.04Å; K35-F170 WeakPolarHBondContact O-CB 3.29Å; L37-F170 HydrophobicContact CB-CD2 4.05Å; L37-F170 HydrophobicContact CB-CE2 4.43Å; L37-F170 HydrophobicContact CD2-CE2 4.16Å; L165-F170 HydrophobicContact CD2-CB 3.78Å; L165-F170 HydrophobicContact CD2-CD2 4.43Å; L165-F170 HydrophobicContact CD2-CG 4.03Å; Q168-F170 PolarHBondContact O-N 2.99Å; F170-L172 HydrophobicContact CE2-CB 4.23Å; F170-L519 HydrophobicContact CZ-CB 4.36Å; F170-H520 AromaticContact CD1-CE1 3.82Å; F170-H520 AromaticContact CD1-NE2 3.52Å; F170-H520 AromaticContact CE1-CD2 3.93Å; F170-H520 AromaticContact CE1-CE1 3.66Å; F170-H520 AromaticContact CE1-NE2 3.49Å; F170-H520 WeakPolarHBondContact CE1-NE2 3.18Å; F170-H520 VanDerWaalsContact CE1-O 3.29Å; F170-H520 WeakPolarHBondContact CE1-O 3.33Å; F170-H520 WeakPolarHBondContact CZ-O 3.37Å; F170-P522 HydrophobicContact CD2-CB 4.11Å; F170-P522 HydrophobicContact CE1-CB 4.27Å; F170-P522 HydrophobicContact CE2-CB 3.65Å; F170-P522 HydrophobicContact CE2-CG 4.46Å; F170-P522 HydrophobicContact CZ-CB 3.74Å; F170-P522 HydrophobicContact CZ-CG 4.36Å; F170-P522 WeakPolarHBondContact O-CA 3.31Å; F170-C523 PolarHBondContact O-N 3.26Å; F170-C523 PolarHBondContact O-SG 3.03Å
171I98.4Very high97Very high0 Ų024.7 Ų24.70%014%0.138CC..EExtended strand (participates in β ladder)trans-95.3133168.3-60.3172.8000106.8I20 I29 L34 K35 L36 L37I20-I171 HydrophobicContact CD1-CD1 4.09Å; I20-I171 HydrophobicContact CG1-CD1 4.12Å; I20-I171 HydrophobicContact CG2-CD1 3.88Å; I29-I171 HydrophobicContact CD1-CD1 4.03Å; L34-I171 HydrophobicContact CD1-CD1 4.17Å; K35-I171 PolarHBondContact O-N 2.79Å; L36-I171 HydrophobicContact CD1-CB 3.92Å; L36-I171 HydrophobicContact CD1-CG2 3.98Å; L37-I171 PolarHBondContact N-O 2.85Å
172L98.7Very high97Very high0 Ų027.3 Ų27.30%015%0.15CC..EExtended strand (participates in β ladder)trans-96.2111.8168.9170.361.1000107.6L37 F39 F170 I174 L516 P522 M524 I525 T526 L552 Y556L37-L172 HydrophobicContact CD2-CD1 4Å; L37-L172 HydrophobicContact CG-CD1 4.09Å; F39-L172 HydrophobicContact CD2-CD1 3.7Å; F39-L172 HydrophobicContact CE2-CD1 3.61Å; F170-L172 HydrophobicContact CE2-CB 4.23Å; L172-I174 HydrophobicContact CD1-CD1 4.13Å; L172-I174 HydrophobicContact CD1-CG1 3.99Å; L172-I174 HydrophobicContact CD2-CD1 4.13Å; L172-I174 HydrophobicContact CG-CD1 4.01Å; L172-I174 HydrophobicContact CG-CG1 4.08Å; L172-L516 HydrophobicContact CD1-CD2 3.94Å; L172-L516 HydrophobicContact CD2-CD1 3.92Å; L172-L516 HydrophobicContact CD2-CD2 3.9Å; L172-P522 HydrophobicContact CB-CB 3.97Å; L172-P522 HydrophobicContact CB-CG 4.19Å; L172-M524 PolarHBondContact N-O 3.37Å; L172-I525 HydrophobicContact CB-CG1 4.18Å; L172-I525 HydrophobicContact CD2-CD1 4.25Å; L172-I525 HydrophobicContact CD2-CG1 4.15Å; L172-I525 HydrophobicContact CD2-CG2 4.33Å; L172-I525 HydrophobicContact CG-CG2 4.33Å; L172-I525 CarbonylContact O-C 3.6Å; L172-I525 WeakPolarHBondContact O-CA 3.48Å; L172-T526 PolarHBondContact O-N 3.21Å; L172-L552 HydrophobicContact CD2-CD2 4.25Å; L172-Y556 HydrophobicContact CD2-CE2 4.3Å
173D98.8Very high96.8Very high0 Ų025.7 Ų25.70%014%0.142CC..EExtended strand (participates in β ladder)trans-110.5135.2177.9-172.451.6000109.9H13 L36 L37 H38 F39 W71 T526H13-D173 IonicContact CD2-OD2 2.81Å; H13-D173 IonicContact CE1-OD2 2.69Å; H13-D173 IonicContact NE2-OD1 2.76Å; H13-D173 IonicContact NE2-OD2 2.88Å; H13-D173 PolarHBondContact NE2-OD2 3.48Å; L36-D173 HydrophobicContact CD1-CB 3.82Å; L37-D173 PolarHBondContact O-N 2.89Å; H38-D173 IonicContact CE1-OD2 3.91Å; H38-D173 PolarHBondContact CE1-OD2 2.86Å; H38-D173 IonicContact ND1-OD2 3.14Å; H38-D173 PolarHBondContact ND1-OD2 3.05Å; F39-D173 PolarHBondContact N-O 2.79Å; W71-D173 WeakPolarHBondContact CH2-OD2 3.36Å; W71-D173 WeakPolarHBondContact CZ2-OD2 3.04Å; D173-T526 WeakPolarHBondContact CA-OG1 3.22Å; D173-T526 WeakPolarHBondContact CB-OG1 3.42Å; D173-T526 VanDerWaalsContact CG-OG1 3.32Å; D173-T526 VanDerWaalsContact OD1-CB 3.26Å; D173-T526 WeakPolarHBondContact OD1-CB 3.37Å; D173-T526 PolarHBondContact OD1-OG1 2.99Å
174I98.8Very high96.5Very high0 Ų023.4 Ų23.40%013%0.126CC..EExtended strand (participates in β ladder)trans-140.4110.8-174.1-52.1176.2000109.4F39 L172 F179 M512 T526 I527 A528 L548F39-I174 HydrophobicContact CB-CG1 4.37Å; F39-I174 HydrophobicContact CB-CG2 4.31Å; F39-I174 HydrophobicContact CD2-CG1 4.25Å; F39-I174 CarbonylContact O-C 3.08Å; F39-I174 WeakPolarHBondContact O-CA 3.44Å; L172-I174 HydrophobicContact CD1-CD1 4.13Å; L172-I174 HydrophobicContact CD1-CG1 3.99Å; L172-I174 HydrophobicContact CD2-CD1 4.13Å; L172-I174 HydrophobicContact CG-CD1 4.01Å; L172-I174 HydrophobicContact CG-CG1 4.08Å; I174-F179 HydrophobicContact CG2-CE2 4.16Å; I174-M512 HydrophobicContact CD1-SD 3.99Å; I174-M512 HydrophobicContact CG2-CE 4.31Å; I174-T526 PolarHBondContact N-O 3.17Å; I174-I527 WeakPolarHBondContact O-CA 3.21Å; I174-A528 PolarHBondContact O-N 3.09Å; I174-L548 HydrophobicContact CB-CD2 4.36Å; I174-L548 HydrophobicContact CD1-CD1 3.8Å; I174-L548 HydrophobicContact CD1-CD2 4.34Å; I174-L548 HydrophobicContact CG2-CD1 4.3Å; I174-L548 HydrophobicContact CG2-CD2 3.81Å
175D98.6Very high96Very high5 Ų522.5 Ų22.53%0.02712%0.12CC..EExtended strand (participates in β ladder)trans-82.3135.4162.3-162.4-42.5000109.6H13 F39 D40 D177 T178 A528 S530H13-D175 IonicContact ND1-OD2 3.46Å; F39-D175 PolarHBondContact O-N 2.74Å; D40-D175 HydrophobicContact CB-CB 4.15Å; D40-D175 VanDerWaalsContact CG-CB 3.46Å; D40-D175 WeakPolarHBondContact OD2-CB 3.44Å; D175-D177 PolarHBondContact O-N 2.91Å; D175-D177 PolarHBondContact OD1-N 3.3Å; D175-T178 VanDerWaalsContact O-CB 3.29Å; D175-T178 WeakPolarHBondContact O-CB 3.28Å; D175-T178 PolarHBondContact O-N 2.96Å; D175-T178 PolarHBondContact O-OG1 3.03Å; D175-A528 HydrophobicContact CB-CB 4.37Å; D175-S530 WeakPolarHBondContact OD1-CB 3.39Å; D175-S530 PolarHBondContact OD1-OG 3.18Å; D175-S530 WeakPolarHBondContact OD2-CB 3.26Å; D175-S530 PolarHBondContact OD2-OG 3.24Å
176L98.6Very high95.4Very high0 Ų024.3 Ų24.30%013%0.133CC..G310 helixtrans-62.8-22.8177.4-64-169.8000112.5T178 F179 I527 A528 R529 T536 V541 I544 Q545 L548L176-T178 PolarHBondContact O-N 3.1Å; L176-F179 WeakPolarHBondContact O-CD2 3.16Å; L176-F179 PolarHBondContact O-N 3.14Å; L176-F179 VanDerWaalsContact O-N 3.16Å; L176-I527 HydrophobicContact CD2-CG2 3.71Å; L176-I527 HydrophobicContact CG-CG2 4.08Å; L176-A528 WeakPolarHBondContact CG-O 3.18Å; L176-A528 PolarHBondContact N-O 3.36Å; L176-R529 HydrophobicContact CD1-CB 4.4Å; L176-R529 HydrophobicContact CD1-CG 4.23Å; L176-T536 HydrophobicContact CB-CG2 4.23Å; L176-V541 HydrophobicContact CD1-CG2 3.7Å; L176-I544 HydrophobicContact CB-CG2 4.27Å; L176-I544 HydrophobicContact CD2-CG2 4.07Å; L176-Q545 HydrophobicContact CD1-CB 3.87Å; L176-Q545 HydrophobicContact CD1-CG 4.46Å; L176-L548 HydrophobicContact CD2-CD2 3.55Å
177D97.7Very high94.8Very high0 Ų026.9 Ų26.90%015%0.147CC..G310 helixtrans-66.5-16.5178.799.4-23.6000112.7D40 S41 H42 D175 F179 S180 T181 T536D40-D177 VanDerWaalsContact OD1-OD1 3.06Å; S41-D177 VanDerWaalsContact CB-OD1 3.31Å; S41-D177 WeakPolarHBondContact CB-OD1 3.5Å; S41-D177 WeakPolarHBondContact CB-OD2 3.46Å; S41-D177 PolarHBondContact N-OD1 3.1Å; S41-D177 PolarHBondContact OG-O 3.38Å; H42-D177 IonicContact CD2-OD2 3.51Å; H42-D177 PolarHBondContact CD2-OD2 2.87Å; H42-D177 IonicContact NE2-OD2 3.76Å; H42-D177 PolarHBondContact NE2-OD2 3.5Å; D175-D177 PolarHBondContact O-N 2.91Å; D175-D177 PolarHBondContact OD1-N 3.3Å; D177-F179 PolarHBondContact O-N 3.2Å; D177-F179 VanDerWaalsContact O-N 3.12Å; D177-S180 WeakPolarHBondContact CA-O 3.49Å; D177-S180 CarbonylContact O-C 3.53Å; D177-S180 VanDerWaalsContact O-C 3.22Å; D177-S180 PolarHBondContact O-N 3.49Å; D177-S180 VanDerWaalsContact O-N 3.15Å; D177-T181 WeakPolarHBondContact O-CB 3.41Å; D177-T181 PolarHBondContact O-N 2.9Å; D177-T181 PolarHBondContact OD2-OG1 3.45Å; D177-T181 VanDerWaalsContact OD2-OG1 3.07Å; D177-T536 WeakPolarHBondContact CB-OG1 3.48Å; D177-T536 PolarHBondContact N-OG1 3.19Å
178T98.1Very high94.5Very high0 Ų023.7 Ų23.70%013%0.127CC..G310 helixtrans-51-36.8170.9-57.30000111.6F39 D40 W91 I148 D175 L176 M512F39-T178 HydrophobicContact CB-CG2 4.33Å; F39-T178 PolarHBondContact O-OG1 3.17Å; D40-T178 WeakPolarHBondContact CA-OG1 3.45Å; D40-T178 PolarHBondContact N-OG1 3.49Å; W91-T178 WeakPolarHBondContact CZ2-O 3.45Å; I148-T178 HydrophobicContact CD1-CG2 3.36Å; D175-T178 VanDerWaalsContact O-CB 3.29Å; D175-T178 WeakPolarHBondContact O-CB 3.28Å; D175-T178 PolarHBondContact O-N 2.96Å; D175-T178 PolarHBondContact O-OG1 3.03Å; L176-T178 PolarHBondContact O-N 3.1Å; T178-M512 HydrophobicContact CG2-CE 4.36Å
179F98.4Very high94.2Very high4 Ų420.7 Ų20.72%0.01811%0.112CC..THydrogen-bonded Turntrans-86.3-31-175.5-60.1-78.6000112.1I174 L176 D177 T500 Q505 L508 C509 M512 I544 L548I174-F179 HydrophobicContact CG2-CE2 4.16Å; L176-F179 WeakPolarHBondContact O-CD2 3.16Å; L176-F179 PolarHBondContact O-N 3.14Å; L176-F179 VanDerWaalsContact O-N 3.16Å; D177-F179 PolarHBondContact O-N 3.2Å; D177-F179 VanDerWaalsContact O-N 3.12Å; F179-T500 WeakPolarHBondContact O-CB 3.38Å; F179-T500 VanDerWaalsContact O-CG2 3.27Å; F179-T500 WeakPolarHBondContact O-CG2 3.17Å; F179-T500 PolarHBondContact O-OG1 2.87Å; F179-Q505 HydrophobicContact CB-CG 4.33Å; F179-L508 HydrophobicContact CD1-CB 4Å; F179-L508 HydrophobicContact CE1-CB 4.34Å; F179-C509 HydrophobicContact CE1-CB 4.02Å; F179-M512 HydrophobicContact CE1-CE 4.02Å; F179-M512 HydrophobicContact CE2-CE 4.21Å; F179-M512 HydrophobicContact CZ-CE 3.46Å; F179-M512 VanDerWaalsContact CZ-CE 3.46Å; F179-M512 HydrophobicContact CZ-SD 4.02Å; F179-I544 HydrophobicContact CB-CD1 4.2Å; F179-I544 HydrophobicContact CB-CG1 4.45Å; F179-I544 HydrophobicContact CB-CG2 3.83Å; F179-I544 HydrophobicContact CD2-CG2 3.38Å; F179-I544 HydrophobicContact CE2-CG2 4.15Å; F179-I544 HydrophobicContact CG-CG2 3.76Å; F179-L548 HydrophobicContact CE2-CD1 4.3Å; F179-L548 HydrophobicContact CE2-CD2 4.49Å; F179-L548 HydrophobicContact CZ-CD1 4.08Å
180S98.3Very high94Very high0 Ų022.5 Ų22.50%012%0.122CC..SBendtrans-163.4117.5-179.5-165.70000108.8D177 T500 P537 Q540D177-S180 WeakPolarHBondContact CA-O 3.49Å; D177-S180 CarbonylContact O-C 3.53Å; D177-S180 VanDerWaalsContact O-C 3.22Å; D177-S180 PolarHBondContact O-N 3.49Å; D177-S180 VanDerWaalsContact O-N 3.15Å; S180-T500 VanDerWaalsContact CB-OG1 3.27Å; S180-T500 WeakPolarHBondContact CB-OG1 3.46Å; S180-T500 PolarHBondContact OG-N 3.47Å; S180-T500 PolarHBondContact OG-OG1 3.49Å; S180-P537 WeakPolarHBondContact O-CD 3.41Å; S180-Q540 PolarHBondContact OG-OE1 3.03Å
181T96.8Very high93.7Very high0 Ų030.1 Ų30.10%016%0.157CC..BIsolated β-bridgetrans-124144.4-176-173.30000110.5S41 W91 D177 P496 S498 Y535S41-T181 WeakPolarHBondContact OG-CG2 3.18Å; W91-T181 VanDerWaalsContact NE1-CG2 3.34Å; D177-T181 WeakPolarHBondContact O-CB 3.41Å; D177-T181 PolarHBondContact O-N 2.9Å; D177-T181 PolarHBondContact OD2-OG1 3.45Å; D177-T181 VanDerWaalsContact OD2-OG1 3.07Å; T181-P496 HydrophobicContact CG2-CB 3.82Å; T181-S498 PolarHBondContact N-O 3.09Å; T181-S498 VanDerWaalsContact N-O 3.16Å; T181-S498 CarbonylContact O-C 3.57Å; T181-S498 PolarHBondContact O-N 3.09Å; T181-Y535 CarbonylContact C-O 3.44Å; T181-Y535 VanDerWaalsContact CA-O 3.28Å; T181-Y535 WeakPolarHBondContact CA-O 3.31Å
182Q94Very high93.5Very high55 Ų5536.6 Ų36.626%0.25719%0.188SC..  trans-127.6135.4171.670.8-175.86.500109.4P184 I499 G534 Y535Q182-P184 WeakPolarHBondContact O-CD 3.3Å; Q182-I499 HydrophobicContact CB-CD1 4.38Å; Q182-I499 HydrophobicContact CB-CG1 4.21Å; Q182-G534 WeakPolarHBondContact CG-O 3.31Å; Q182-G534 PolarHBondContact NE2-O 3.2Å; Q182-Y535 PolarHBondContact N-O 3.44Å
183N91.5Very high93.3Very high12 Ų1237.6 Ų37.66%0.06419%0.193CC..  trans-74.4108170.1176.5-1.9000111.7L185 S186 L495 P496 H497N183-L185 PolarHBondContact O-N 3.04Å; N183-L185 WeakPolarHBondContact OD1-CA 3.12Å; N183-L185 WeakPolarHBondContact OD1-CB 3.33Å; N183-L185 PolarHBondContact OD1-N 3.2Å; N183-S186 WeakPolarHBondContact O-CB 3.4Å; N183-S186 PolarHBondContact O-N 3.38Å; N183-S186 PolarHBondContact O-OG 3.4Å; N183-S186 PolarHBondContact OD1-N 3.31Å; N183-L495 HydrophobicContact CB-CB 4.18Å; N183-P496 PolarHBondContact N-O 3.46Å; N183-H497 HydrophobicContact CB-CB 3.95Å; N183-H497 PolarHBondContact N-ND1 3.49Å; N183-H497 VanDerWaalsContact N-ND1 3.13Å
184P87.7Confident93Very high38 Ų3838.4 Ų38.425%0.24720%0.196CC..THydrogen-bonded Turntrans-70.4-18-179.331.3-36.6000112.9Q182 Y535Q182-P184 WeakPolarHBondContact O-CD 3.3Å; P184-Y535 HydrophobicContact CG-CD1 4.42Å; P184-Y535 HydrophobicContact CG-CE1 3.89Å; P184-Y535 HydrophobicContact CG-CE2 4.32Å
185L86.5Confident92.8Very high2 Ų243 Ų431%0.0122%0.218CC..THydrogen-bonded Turntrans-84.3-16.6-178.7-53.5-176.2000112.8N183 N187 K188 F194 T437 L483 C487 L495N183-L185 PolarHBondContact O-N 3.04Å; N183-L185 WeakPolarHBondContact OD1-CA 3.12Å; N183-L185 WeakPolarHBondContact OD1-CB 3.33Å; N183-L185 PolarHBondContact OD1-N 3.2Å; L185-N187 VanDerWaalsContact C-N 3.25Å; L185-N187 PolarHBondContact O-N 2.78Å; L185-K188 HydrophobicContact CD2-CD 3.83Å; L185-K188 PolarHBondContact O-N 2.99Å; L185-K188 VanDerWaalsContact O-N 3.12Å; L185-F194 WeakPolarHBondContact O-CZ 3.49Å; L185-T437 HydrophobicContact CD2-CG2 4.09Å; L185-L483 HydrophobicContact CD1-CD1 4.06Å; L185-L483 HydrophobicContact CD2-CD1 3.74Å; L185-C487 HydrophobicContact CB-CB 4.24Å; L185-C487 HydrophobicContact CD1-CB 3.87Å; L185-L495 HydrophobicContact CD1-CD1 3.87Å; L185-L495 HydrophobicContact CG-CD1 4.32Å
186S83.9Confident92.7Very high38 Ų3843 Ų4327%0.26622%0.217SC..THydrogen-bonded Turntrans-54.3-38.3-176.357.10000113.8N183N183-S186 WeakPolarHBondContact O-CB 3.4Å; N183-S186 PolarHBondContact O-N 3.38Å; N183-S186 PolarHBondContact O-OG 3.4Å; N183-S186 PolarHBondContact OD1-N 3.31Å
187N83.9Confident92.5Very high150 Ų15043 Ų4380%0.80222%0.217SC*.THydrogen-bonded Turntrans-108.910.6-179.3-62.8-44.1000113.3L185L185-N187 VanDerWaalsContact C-N 3.25Å; L185-N187 PolarHBondContact O-N 2.78Å
188K85.7Confident92.4Very high72 Ų7245.2 Ų45.231%0.31323%0.229SC..THydrogen-bonded Turntrans-73.8-28.6-174.6-170.8173.2-177.177.40113.1L185 L483L185-K188 HydrophobicContact CD2-CD 3.83Å; L185-K188 PolarHBondContact O-N 2.99Å; L185-K188 VanDerWaalsContact O-N 3.12Å; K188-L483 HydrophobicContact CD-CD2 3.89Å
189F90.3Very high92.2Very high20 Ų2051.8 Ų51.89%0.08825%0.254CS..SBendtrans-126.8155.9-179.9-57-71.6000110.8Q193 F194 I197 L279 M480 L483 W484F189-Q193 HydrophobicContact CB-CB 3.91Å; F189-F194 HydrophobicContact CB-CD2 3.88Å; F189-F194 HydrophobicContact CB-CE1 4.31Å; F189-F194 HydrophobicContact CB-CE2 3.63Å; F189-F194 HydrophobicContact CB-CG 4.34Å; F189-F194 HydrophobicContact CB-CZ 3.84Å; F189-F194 AromaticContact CD2-CE1 3.84Å; F189-F194 HydrophobicContact CD2-CE1 3.84Å; F189-F194 HydrophobicContact CD2-CE2 4.37Å; F189-F194 AromaticContact CD2-CZ 3.68Å; F189-F194 HydrophobicContact CD2-CZ 3.68Å; F189-F194 HydrophobicContact CG-CZ 4.26Å; F189-F194 WeakPolarHBondContact O-CD2 3.46Å; F189-F194 VanDerWaalsContact O-CE2 3.26Å; F189-F194 WeakPolarHBondContact O-CE2 3.23Å; F189-I197 HydrophobicContact CB-CD1 4.29Å; F189-I197 HydrophobicContact CD1-CD1 4.38Å; F189-I197 HydrophobicContact CD2-CD1 3.73Å; F189-I197 HydrophobicContact CE2-CD1 4.11Å; F189-I197 HydrophobicContact CG-CD1 3.87Å; F189-L279 HydrophobicContact CD1-CD2 4.02Å; F189-L279 HydrophobicContact CE1-CD2 3.92Å; F189-M480 HydrophobicContact CE1-CE 3.7Å; F189-M480 HydrophobicContact CZ-CE 3.62Å; F189-L483 HydrophobicContact CE2-CD2 4.11Å; F189-L483 HydrophobicContact CE2-CG 4.44Å; F189-L483 HydrophobicContact CZ-CD2 3.74Å; F189-L483 HydrophobicContact CZ-CG 4.44Å; F189-W484 AromaticContact CE1-NE1 3.78Å; F189-W484 AromaticContact CZ-CD1 3.83Å; F189-W484 AromaticContact CZ-NE1 3.54Å
190T92.1Very high92Very high77 Ų7751.7 Ų51.747%0.47225%0.254SS..  trans-69.8160172.561.70000111.2E192 Q193 F194T190-E192 VanDerWaalsContact C-N 3.29Å; T190-E192 PolarHBondContact O-N 3.31Å; T190-Q193 WeakPolarHBondContact O-CB 3.06Å; T190-Q193 PolarHBondContact O-N 2.78Å; T190-Q193 VanDerWaalsContact O-N 3.09Å; T190-Q193 WeakPolarHBondContact OG1-CB 3.41Å; T190-Q193 WeakPolarHBondContact OG1-CG 3.49Å; T190-Q193 PolarHBondContact OG1-N 3.25Å; T190-Q193 PolarHBondContact OG1-OE1 3.36Å; T190-F194 WeakPolarHBondContact O-CD2 2.86Å; T190-F194 PolarHBondContact O-N 2.92Å
191E91.9Very high91.9Very high159 Ų15951.7 Ų51.774%0.74325%0.254SS*.Hα-helixtrans-56.2-42.6177.1-171.7175.6-168.700112Q193 F194 E195E191-Q193 PolarHBondContact O-N 3.06Å; E191-F194 PolarHBondContact O-N 3.04Å; E191-E195 WeakPolarHBondContact O-CG 3.45Å; E191-E195 PolarHBondContact O-N 3.37Å
192E93.5Very high91.8Very high137 Ų13753 Ų5364%0.6427%0.265SS*.Hα-helixtrans-61.9-41.6175.8-175.8-179.4-177.600112T190 E195 I196T190-E192 VanDerWaalsContact C-N 3.29Å; T190-E192 PolarHBondContact O-N 3.31Å; E192-E195 PolarHBondContact O-N 2.72Å; E192-I196 WeakPolarHBondContact O-CG1 3.44Å; E192-I196 PolarHBondContact O-N 3.4Å
193Q94.2Very high91.7Very high21 Ų2151.3 Ų51.310%0.09826%0.258CS..Hα-helixtrans-65-41.4175.5-74.6165-22.400111.3F189 T190 E191 I196 I197 L275 S278F189-Q193 HydrophobicContact CB-CB 3.91Å; T190-Q193 WeakPolarHBondContact O-CB 3.06Å; T190-Q193 PolarHBondContact O-N 2.78Å; T190-Q193 VanDerWaalsContact O-N 3.09Å; T190-Q193 WeakPolarHBondContact OG1-CB 3.41Å; T190-Q193 WeakPolarHBondContact OG1-CG 3.49Å; T190-Q193 PolarHBondContact OG1-N 3.25Å; T190-Q193 PolarHBondContact OG1-OE1 3.36Å; E191-Q193 PolarHBondContact O-N 3.06Å; Q193-I196 PolarHBondContact O-N 3.01Å; Q193-I197 WeakPolarHBondContact O-CB 3.47Å; Q193-I197 WeakPolarHBondContact O-CD1 3.31Å; Q193-I197 WeakPolarHBondContact O-CG1 3.28Å; Q193-I197 PolarHBondContact O-N 3.35Å; Q193-L275 HydrophobicContact CB-CD1 3.97Å; Q193-L275 HydrophobicContact CG-CD1 3.99Å; Q193-S278 WeakPolarHBondContact CG-OG 3.36Å; Q193-S278 PolarHBondContact NE2-OG 2.76Å
194F93.4Very high91.6Very high17 Ų1751.6 Ų51.68%0.07526%0.261CS..Hα-helixtrans-62.9-39.6175.2-86-59.1000112.6L185 F189 T190 E191 I196 I197 D198 C487 Q490L185-F194 WeakPolarHBondContact O-CZ 3.49Å; F189-F194 HydrophobicContact CB-CD2 3.88Å; F189-F194 HydrophobicContact CB-CE1 4.31Å; F189-F194 HydrophobicContact CB-CE2 3.63Å; F189-F194 HydrophobicContact CB-CG 4.34Å; F189-F194 HydrophobicContact CB-CZ 3.84Å; F189-F194 AromaticContact CD2-CE1 3.84Å; F189-F194 HydrophobicContact CD2-CE1 3.84Å; F189-F194 HydrophobicContact CD2-CE2 4.37Å; F189-F194 AromaticContact CD2-CZ 3.68Å; F189-F194 HydrophobicContact CD2-CZ 3.68Å; F189-F194 HydrophobicContact CG-CZ 4.26Å; F189-F194 WeakPolarHBondContact O-CD2 3.46Å; F189-F194 VanDerWaalsContact O-CE2 3.26Å; F189-F194 WeakPolarHBondContact O-CE2 3.23Å; T190-F194 WeakPolarHBondContact O-CD2 2.86Å; T190-F194 PolarHBondContact O-N 2.92Å; E191-F194 PolarHBondContact O-N 3.04Å; F194-I196 VanDerWaalsContact C-N 3.27Å; F194-I196 PolarHBondContact O-N 2.6Å; F194-I197 HydrophobicContact CD1-CD1 4.14Å; F194-I197 HydrophobicContact CE1-CD1 4.41Å; F194-I197 PolarHBondContact O-N 3.46Å; F194-D198 WeakPolarHBondContact O-CB 3.27Å; F194-D198 PolarHBondContact O-N 3.25Å; F194-C487 HydrophobicContact CE1-CB 4.23Å; F194-Q490 HydrophobicContact CD1-CG 4.37Å; F194-Q490 HydrophobicContact CE1-CG 4.26Å
195E94.4Very high91.6Very high97 Ų9753.3 Ų53.345%0.45327%0.272SS..Hα-helixtrans-59.3-39.7173.5-72.4-172.3177.800112.2E191 E192 R199E191-E195 WeakPolarHBondContact O-CG 3.45Å; E191-E195 PolarHBondContact O-N 3.37Å; E192-E195 PolarHBondContact O-N 2.72Å; E195-R199 VanDerWaalsContact O-CG 3.32Å; E195-R199 WeakPolarHBondContact O-CG 3.38Å; E195-R199 PolarHBondContact O-N 2.97Å; E195-R199 VanDerWaalsContact O-N 3.07Å; E195-R199 IonicContact OE2-NH1 2.78Å
196I95.5Very high91.4Very high4 Ų455.6 Ų55.62%0.02129%0.287CS..Hα-helixtrans-70.4-43.7176.8-60.1167000110.9E192 Q193 F194 D198 R199 L200 E271 R274 L275E192-I196 WeakPolarHBondContact O-CG1 3.44Å; E192-I196 PolarHBondContact O-N 3.4Å; Q193-I196 PolarHBondContact O-N 3.01Å; F194-I196 VanDerWaalsContact C-N 3.27Å; F194-I196 PolarHBondContact O-N 2.6Å; I196-D198 VanDerWaalsContact C-N 3.33Å; I196-D198 PolarHBondContact O-N 3.29Å; I196-R199 PolarHBondContact O-N 3.23Å; I196-L200 HydrophobicContact CG2-CD1 3.74Å; I196-L200 HydrophobicContact CG2-CG 4.42Å; I196-L200 WeakPolarHBondContact O-CG 3.44Å; I196-L200 PolarHBondContact O-N 3.16Å; I196-L200 VanDerWaalsContact O-N 3.14Å; I196-E271 HydrophobicContact CG2-CB 4.05Å; I196-E271 WeakPolarHBondContact CG2-O 3.26Å; I196-R274 HydrophobicContact CD1-CB 4.42Å; I196-L275 HydrophobicContact CB-CB 4.45Å; I196-L275 HydrophobicContact CG2-CB 3.75Å; I196-L275 HydrophobicContact CG2-CD2 4.26Å; I196-L275 HydrophobicContact CG2-CG 4.44Å
197I95Very high91.3Very high0 Ų054.4 Ų54.40%028%0.277CS..Hα-helixtrans-56.9-49176.1-70.4161.4000109.3F189 Q193 F194 R199 L200 Y201 L275 W484 A488F189-I197 HydrophobicContact CB-CD1 4.29Å; F189-I197 HydrophobicContact CD1-CD1 4.38Å; F189-I197 HydrophobicContact CD2-CD1 3.73Å; F189-I197 HydrophobicContact CE2-CD1 4.11Å; F189-I197 HydrophobicContact CG-CD1 3.87Å; Q193-I197 WeakPolarHBondContact O-CB 3.47Å; Q193-I197 WeakPolarHBondContact O-CD1 3.31Å; Q193-I197 WeakPolarHBondContact O-CG1 3.28Å; Q193-I197 PolarHBondContact O-N 3.35Å; F194-I197 HydrophobicContact CD1-CD1 4.14Å; F194-I197 HydrophobicContact CE1-CD1 4.41Å; F194-I197 PolarHBondContact O-N 3.46Å; I197-R199 PolarHBondContact O-N 2.82Å; I197-L200 PolarHBondContact O-N 2.8Å; I197-L200 VanDerWaalsContact O-N 3.16Å; I197-Y201 WeakPolarHBondContact O-CA 3.07Å; I197-Y201 WeakPolarHBondContact O-CB 3.29Å; I197-Y201 PolarHBondContact O-N 3.15Å; I197-L275 HydrophobicContact CD1-CD1 4.42Å; I197-L275 HydrophobicContact CG1-CD1 4.11Å; I197-L275 HydrophobicContact CG1-CD2 3.81Å; I197-W484 VanDerWaalsContact CD1-CD1 3.43Å; I197-W484 HydrophobicContact CD1-CG 4.42Å; I197-W484 HydrophobicContact CG1-CG 4.13Å; I197-W484 HydrophobicContact CG2-CB 4.23Å; I197-A488 HydrophobicContact CG2-CB 3.81Å
198D94.5Very high90.6Very high47 Ų4751.1 Ų51.125%0.25126%0.263SS..Hα-helixtrans-60.8-43.8178.3-75.5-4.4000111.7F194 I196 L200 A202 D489F194-D198 WeakPolarHBondContact O-CB 3.27Å; F194-D198 PolarHBondContact O-N 3.25Å; I196-D198 VanDerWaalsContact C-N 3.33Å; I196-D198 PolarHBondContact O-N 3.29Å; D198-L200 PolarHBondContact O-N 3.23Å; D198-A202 WeakPolarHBondContact O-CB 3.3Å; D198-A202 PolarHBondContact O-N 3.4Å; D198-D489 PolarHBondContact OD1-N 3.4Å
199R94Very high89.7Confident138 Ų13850.1 Ų50.152%0.52126%0.261SS..Hα-helixtrans-59.3-33.3177.4-78.3-168.4-69.6-109.77.3113.5E195 I196 I197 E271E195-R199 VanDerWaalsContact O-CG 3.32Å; E195-R199 WeakPolarHBondContact O-CG 3.38Å; E195-R199 PolarHBondContact O-N 2.97Å; E195-R199 VanDerWaalsContact O-N 3.07Å; E195-R199 IonicContact OE2-NH1 2.78Å; I196-R199 PolarHBondContact O-N 3.23Å; I197-R199 PolarHBondContact O-N 2.82Å; R199-E271 IonicContact CZ-OE2 3.05Å; R199-E271 IonicContact NE-OE2 3.95Å; R199-E271 IonicContact NH2-OE2 3.87Å; R199-E271 PolarHBondContact NH2-OE2 3.43Å
200L95.9Very high88.9Confident2 Ų255.2 Ų55.21%0.0130%0.297CS..Hα-helixtrans-97-41.2-174-65.1171.3000112.7I196 I197 D198 Q240 L244 E268 F272 L314I196-L200 HydrophobicContact CG2-CD1 3.74Å; I196-L200 HydrophobicContact CG2-CG 4.42Å; I196-L200 WeakPolarHBondContact O-CG 3.44Å; I196-L200 PolarHBondContact O-N 3.16Å; I196-L200 VanDerWaalsContact O-N 3.14Å; I197-L200 PolarHBondContact O-N 2.8Å; I197-L200 VanDerWaalsContact O-N 3.16Å; D198-L200 PolarHBondContact O-N 3.23Å; L200-Q240 PolarHBondContact O-NE2 2.79Å; L200-L244 HydrophobicContact CB-CD2 4.42Å; L200-L244 HydrophobicContact CD2-CD2 4.44Å; L200-L244 WeakPolarHBondContact O-CD1 3.26Å; L200-E268 HydrophobicContact CD2-CB 3.86Å; L200-E268 HydrophobicContact CD2-CG 4.27Å; L200-F272 HydrophobicContact CD1-CB 3.58Å; L200-F272 HydrophobicContact CD1-CD2 3.76Å; L200-F272 HydrophobicContact CD1-CG 3.87Å; L200-F272 HydrophobicContact CD2-CB 4.41Å; L200-L314 HydrophobicContact CD2-CD1 4.45Å
201Y95.5Very high88.4Confident0 Ų053.5 Ų53.50%029%0.285CS..Hα-helixtrans-112.8-8.3-168-73.8-90.6000114.2I197 P203 R237 L241 L244 F272 H481 W484I197-Y201 WeakPolarHBondContact O-CA 3.07Å; I197-Y201 WeakPolarHBondContact O-CB 3.29Å; I197-Y201 PolarHBondContact O-N 3.15Å; Y201-P203 WeakPolarHBondContact O-CD 3.41Å; Y201-R237 PolarHBondContact O-NH1 2.86Å; Y201-R237 PolarHBondContact O-NH2 3.12Å; Y201-L241 HydrophobicContact CD1-CD2 4.01Å; Y201-L241 HydrophobicContact CE1-CD2 4.24Å; Y201-L244 HydrophobicContact CD1-CD1 3.9Å; Y201-L244 HydrophobicContact CD2-CD1 4.3Å; Y201-L244 HydrophobicContact CE1-CD1 3.71Å; Y201-L244 HydrophobicContact CE2-CD1 4.09Å; Y201-L244 HydrophobicContact CG-CD1 4.2Å; Y201-F272 HydrophobicContact CE2-CE2 4.14Å; Y201-F272 HydrophobicContact CE2-CZ 4.43Å; Y201-F272 WeakPolarHBondContact OH-CZ 3.35Å; Y201-H481 AromaticContact CE1-CE1 3.63Å; Y201-H481 AromaticContact CE1-ND1 3.32Å; Y201-H481 VanDerWaalsContact CE1-ND1 3.32Å; Y201-H481 WeakPolarHBondContact CE1-ND1 3.05Å; Y201-H481 WeakPolarHBondContact CE1-O 2.95Å; Y201-H481 AromaticContact CZ-ND1 3.51Å; Y201-H481 PolarHBondContact OH-ND1 3.2Å; Y201-W484 WeakPolarHBondContact CB-O 3.47Å; Y201-W484 HydrophobicContact CD1-CB 4.08Å; Y201-W484 HydrophobicContact CD2-CB 3.71Å; Y201-W484 HydrophobicContact CE1-CB 4.05Å; Y201-W484 HydrophobicContact CE2-CB 3.72Å; Y201-W484 HydrophobicContact CE2-CD2 4.27Å; Y201-W484 AromaticContact CE2-CE3 3.89Å; Y201-W484 HydrophobicContact CE2-CE3 3.89Å; Y201-W484 HydrophobicContact CE2-CG 4.28Å; Y201-W484 HydrophobicContact CG-CB 3.9Å; Y201-W484 AromaticContact CZ-CE3 3.85Å
202A93.8Very high88.2Confident27 Ų2748 Ų4822%0.22327%0.265CS..SBendtrans-58.2131.8170.400000108.8D198 Q240 D489D198-A202 WeakPolarHBondContact O-CB 3.3Å; D198-A202 PolarHBondContact O-N 3.4Å; A202-Q240 PolarHBondContact O-NE2 3.42Å; A202-D489 HydrophobicContact CB-CB 4.22Å
203P92.2Very high87.9Confident20 Ų2046.3 Ų46.313%0.1327%0.265CS..PPolyproline II helixtrans-64.3162-179.5-29.441.5000113N125 Y201 L432N125-P203 HydrophobicContact CB-CB 3.66Å; N125-P203 HydrophobicContact CB-CG 3.69Å; N125-P203 WeakPolarHBondContact ND2-CB 3.26Å; Y201-P203 WeakPolarHBondContact O-CD 3.41Å; P203-L432 HydrophobicContact CB-CD1 4.12Å; P203-L432 HydrophobicContact CG-CD1 3.8Å
204P90Very high87.6Confident17 Ų1753.3 Ų53.311%0.1130%0.295CS..PPolyproline II helixtrans-55.2136.6175.9-23.734.3000110.7L233 A236P204-L233 HydrophobicContact CB-CD2 4.04Å; P204-A236 HydrophobicContact CB-CB 4.43Å; P204-A236 HydrophobicContact CG-CB 3.88Å
205P87.3Confident87.3Confident74 Ų7455.3 Ų55.348%0.48131%0.307SS..PPolyproline II helixtrans-61.2145.1-178.125.6-34.2000109.9L233P205-L233 WeakPolarHBondContact O-CD2 3.32Å
206P83.4Confident87Confident51 Ų5155.5 Ų55.533%0.33131%0.31SS..PPolyproline II helixtrans-57.1145.8178-27.537.5000112.4T208 R430P206-T208 PolarHBondContact O-N 3Å; P206-R430 HydrophobicContact CG-CB 4.29Å
207L81.3Confident86.7Confident12 Ų1262.8 Ų62.86%0.06334%0.344CS..PPolyproline II helixtrans-71.1129.2178.3-57.1178.1000110.1L209 V232 L233 V374 R430L207-L209 HydrophobicContact CB-CG 4.39Å; L207-L209 HydrophobicContact CD1-CD1 4.48Å; L207-V232 HydrophobicContact CD1-CB 4.4Å; L207-V232 HydrophobicContact CD1-CG1 4.31Å; L207-L233 HydrophobicContact CD2-CD2 4.44Å; L207-L233 HydrophobicContact CG-CD2 4.26Å; L207-L233 HydrophobicContact CG-CG 4.37Å; L207-V374 HydrophobicContact CD2-CG1 3.66Å; L207-R430 PolarHBondContact O-NH1 3.41Å; L207-R430 VanDerWaalsContact O-NH1 3.17Å
208T69.3Low86.5Confident82 Ų8266.2 Ų66.250%0.50336%0.362SS..  trans-9877.7168.2-46.70000107.8P206 Y375P206-T208 PolarHBondContact O-N 3Å; T208-Y375 VanDerWaalsContact C-OH 3.26Å; T208-Y375 WeakPolarHBondContact CA-OH 3.12Å; T208-Y375 WeakPolarHBondContact CB-OH 3.47Å; T208-Y375 PolarHBondContact N-OH 2.95Å; T208-Y375 PolarHBondContact O-OH 2.72Å
209L67.1Low86.2Confident50 Ų5066.9 Ų66.926%0.26237%0.369SS..  trans-91.6123.3169.5-70.4172.8000108L207 L211 H225 L382L207-L209 HydrophobicContact CB-CG 4.39Å; L207-L209 HydrophobicContact CD1-CD1 4.48Å; L209-L211 PolarHBondContact O-N 2.74Å; L209-H225 VanDerWaalsContact CB-NE2 3.32Å; L209-H225 WeakPolarHBondContact CB-NE2 3.36Å; L209-H225 WeakPolarHBondContact CD1-NE2 3.37Å; L209-L382 HydrophobicContact CD1-CD1 3.95Å
210C73.6Confident86Confident127 Ų12763.4 Ų63.486%0.85837%0.371SS*.  trans-78100.5175.7-650000109
211L81.5Confident85.7Confident42 Ų4265.6 Ų65.622%0.2238%0.384CS..  trans-64.7142.3161.7-68.3177.8000108.9L209 D215 L216 V221 H225L209-L211 PolarHBondContact O-N 2.74Å; L211-D215 HydrophobicContact CB-CB 4.07Å; L211-D215 HydrophobicContact CD2-CB 4.18Å; L211-L216 HydrophobicContact CB-CD2 4.01Å; L211-L216 HydrophobicContact CB-CG 3.98Å; L211-L216 HydrophobicContact CD1-CD2 3.86Å; L211-V221 HydrophobicContact CD2-CG1 4.41Å; L211-H225 HydrophobicContact CD1-CB 4.47Å; L211-H225 HydrophobicContact CD2-CB 4.35Å
212S86.5Confident85.4Confident44 Ų4468.9 Ų68.931%0.30840%0.401SS..  trans-68.6157.9172.277.90000109.8K214 D215 L216S212-K214 PolarHBondContact O-N 3.22Å; S212-K214 VanDerWaalsContact O-N 3.13Å; S212-D215 VanDerWaalsContact CB-OD2 3.23Å; S212-D215 WeakPolarHBondContact CB-OD2 3.4Å; S212-D215 PolarHBondContact N-OD2 3.27Å; S212-D215 WeakPolarHBondContact O-CB 3.45Å; S212-D215 PolarHBondContact O-N 3.25Å; S212-D215 PolarHBondContact OG-N 2.96Å; S212-D215 PolarHBondContact OG-OD2 3.2Å; S212-L216 PolarHBondContact O-N 3.41Å; S212-L216 VanDerWaalsContact O-N 3.14Å
213P87Confident85.1Confident100 Ų10071.5 Ų71.565%0.64941%0.414SS*.THydrogen-bonded Turntrans-53.3-33.7174.9-28.135.8000113.5L216P213-L216 PolarHBondContact O-N 3.13Å
214K88.4Confident85Confident169 Ų16973.1 Ų73.174%0.73543%0.428SS*.THydrogen-bonded Turntrans-68.7-37.8176-66.4-174.3176.3-173.70112.7S212 L216 E217S212-K214 PolarHBondContact O-N 3.22Å; S212-K214 VanDerWaalsContact O-N 3.13Å; K214-L216 VanDerWaalsContact C-N 3.26Å; K214-L216 PolarHBondContact O-N 2.99Å; K214-E217 PolarHBondContact O-N 2.69Å
215D88.4Confident84.9Confident59 Ų5974.1 Ų74.132%0.31643%0.432SS..G310 helixtrans-69.7-28178.7-58.2-39.1000111.6L211 S212 E217 D218 V221L211-D215 HydrophobicContact CB-CB 4.07Å; L211-D215 HydrophobicContact CD2-CB 4.18Å; S212-D215 VanDerWaalsContact CB-OD2 3.23Å; S212-D215 WeakPolarHBondContact CB-OD2 3.4Å; S212-D215 PolarHBondContact N-OD2 3.27Å; S212-D215 WeakPolarHBondContact O-CB 3.45Å; S212-D215 PolarHBondContact O-N 3.25Å; S212-D215 PolarHBondContact OG-N 2.96Å; S212-D215 PolarHBondContact OG-OD2 3.2Å; D215-E217 PolarHBondContact O-N 2.77Å; D215-D218 PolarHBondContact O-N 2.93Å; D215-V221 HydrophobicContact CB-CG1 3.85Å
216L86.5Confident85Confident100 Ų10072 Ų7252%0.52442%0.423SS..G310 helixtrans-73.9-13.7175.2-70.1169.3000113.3L211 S212 P213 K214 I222L211-L216 HydrophobicContact CB-CD2 4.01Å; L211-L216 HydrophobicContact CB-CG 3.98Å; L211-L216 HydrophobicContact CD1-CD2 3.86Å; S212-L216 PolarHBondContact O-N 3.41Å; S212-L216 VanDerWaalsContact O-N 3.14Å; P213-L216 PolarHBondContact O-N 3.13Å; K214-L216 VanDerWaalsContact C-N 3.26Å; K214-L216 PolarHBondContact O-N 2.99Å; L216-I222 VanDerWaalsContact O-CD1 3.29Å; L216-I222 WeakPolarHBondContact O-CD1 3.31Å
217E89.8Confident85.4Confident158 Ų15872.1 Ų72.174%0.73842%0.42SS*.G310 helixtrans-89-14.2174.7-68172.1-178.900112K214 D215 P219K214-E217 PolarHBondContact O-N 2.69Å; D215-E217 PolarHBondContact O-N 2.77Å; E217-P219 WeakPolarHBondContact O-CD 3.31Å
218D91.1Very high86Confident71 Ų7173.8 Ų73.838%0.3843%0.432SS..  trans-99.8108.6-179.9-172.9-19.9000111.3D215 A220 V221 I222D215-D218 PolarHBondContact O-N 2.93Å; D218-A220 PolarHBondContact O-N 3.32Å; D218-A220 VanDerWaalsContact OD1-CB 3.31Å; D218-A220 WeakPolarHBondContact OD1-CB 3.48Å; D218-A220 PolarHBondContact OD1-N 2.82Å; D218-V221 HydrophobicContact CB-CB 4.05Å; D218-V221 HydrophobicContact CB-CG2 3.85Å; D218-V221 PolarHBondContact O-N 3.43Å; D218-V221 PolarHBondContact OD1-N 3.39Å; D218-V221 WeakPolarHBondContact OD2-CG2 3.39Å; D218-I222 WeakPolarHBondContact O-CG1 3.22Å; D218-I222 PolarHBondContact O-N 3.17Å; D218-I222 VanDerWaalsContact O-N 3.08Å
219P87.8Confident87.1Confident61 Ų6170.6 Ų70.640%0.39641%0.414SS..Hα-helixtrans-59-32.7178.5-2434.7000113.6E217 I222 V223E217-P219 WeakPolarHBondContact O-CD 3.31Å; P219-I222 PolarHBondContact O-N 3.4Å; P219-V223 WeakPolarHBondContact O-CB 3.32Å; P219-V223 VanDerWaalsContact O-CG2 3.26Å; P219-V223 WeakPolarHBondContact O-CG2 3.46Å; P219-V223 PolarHBondContact O-N 3.14Å
220A89.5Confident88.3Confident66 Ų6668.3 Ų68.355%0.54540%0.402SS..Hα-helixtrans-68.6-40.5-179.700000110.9D218 V223 A224D218-A220 PolarHBondContact O-N 3.32Å; D218-A220 VanDerWaalsContact OD1-CB 3.31Å; D218-A220 WeakPolarHBondContact OD1-CB 3.48Å; D218-A220 PolarHBondContact OD1-N 2.82Å; A220-V223 PolarHBondContact O-N 3.28Å; A220-A224 VanDerWaalsContact O-CB 3.29Å; A220-A224 WeakPolarHBondContact O-CB 3.13Å; A220-A224 PolarHBondContact O-N 2.79Å
221V90.3Very high89.3Confident47 Ų4766 Ų6629%0.28538%0.378SS..Hα-helixtrans-65.6-43.2175.71770000110.7L211 D215 D218 V223 A224 H225L211-V221 HydrophobicContact CD2-CG1 4.41Å; D215-V221 HydrophobicContact CB-CG1 3.85Å; D218-V221 HydrophobicContact CB-CB 4.05Å; D218-V221 HydrophobicContact CB-CG2 3.85Å; D218-V221 PolarHBondContact O-N 3.43Å; D218-V221 PolarHBondContact OD1-N 3.39Å; D218-V221 WeakPolarHBondContact OD2-CG2 3.39Å; V221-V223 PolarHBondContact O-N 3.48Å; V221-A224 PolarHBondContact O-N 3.11Å; V221-H225 WeakPolarHBondContact O-CB 3.36Å; V221-H225 PolarHBondContact O-N 3.24Å
222I87.8Confident89.9Confident70 Ų7065.7 Ų65.736%0.35938%0.378SS..Hα-helixtrans-59.6-47.3176.7-67.8164.2000111.1L216 D218 P219 H225 G226L216-I222 VanDerWaalsContact O-CD1 3.29Å; L216-I222 WeakPolarHBondContact O-CD1 3.31Å; D218-I222 WeakPolarHBondContact O-CG1 3.22Å; D218-I222 PolarHBondContact O-N 3.17Å; D218-I222 VanDerWaalsContact O-N 3.08Å; P219-I222 PolarHBondContact O-N 3.4Å; I222-H225 PolarHBondContact O-N 2.82Å; I222-G226 PolarHBondContact O-N 3.39Å
223V88.4Confident90.3Very high82 Ų8263.8 Ų63.850%0.49737%0.365SS..Hα-helixtrans-64.5-48.6179.8170.90000110.9P219 A220 V221 H225 G226 M227P219-V223 WeakPolarHBondContact O-CB 3.32Å; P219-V223 VanDerWaalsContact O-CG2 3.26Å; P219-V223 WeakPolarHBondContact O-CG2 3.46Å; P219-V223 PolarHBondContact O-N 3.14Å; A220-V223 PolarHBondContact O-N 3.28Å; V221-V223 PolarHBondContact O-N 3.48Å; V223-H225 VanDerWaalsContact C-N 3.28Å; V223-H225 PolarHBondContact O-N 2.8Å; V223-G226 PolarHBondContact O-N 3.12Å; V223-G226 VanDerWaalsContact O-N 3.14Å; V223-M227 HydrophobicContact CG1-CG 4.42Å; V223-M227 HydrophobicContact CG1-SD 4.19Å; V223-M227 WeakPolarHBondContact O-CG 2.9Å; V223-M227 PolarHBondContact O-N 3.36Å
224A89.4Confident90.6Very high53 Ų5359.4 Ų59.444%0.43834%0.335SS..Hα-helixtrans-59.5-40178.700000112A220 V221 S228A220-A224 VanDerWaalsContact O-CB 3.29Å; A220-A224 WeakPolarHBondContact O-CB 3.13Å; A220-A224 PolarHBondContact O-N 2.79Å; V221-A224 PolarHBondContact O-N 3.11Å; A224-S228 WeakPolarHBondContact O-CB 3.26Å; A224-S228 PolarHBondContact O-N 3.37Å; A224-S228 PolarHBondContact O-OG 3.22Å
225H88.5Confident90.9Very high38 Ų3852.4 Ų52.418%0.17631%0.309CS..Hα-helixtrans-65.1-44.6174.8176.8-87.8000112.2L209 L211 V221 I222 V223 S228 S229L209-H225 VanDerWaalsContact CB-NE2 3.32Å; L209-H225 WeakPolarHBondContact CB-NE2 3.36Å; L209-H225 WeakPolarHBondContact CD1-NE2 3.37Å; L211-H225 HydrophobicContact CD1-CB 4.47Å; L211-H225 HydrophobicContact CD2-CB 4.35Å; V221-H225 WeakPolarHBondContact O-CB 3.36Å; V221-H225 PolarHBondContact O-N 3.24Å; I222-H225 PolarHBondContact O-N 2.82Å; V223-H225 VanDerWaalsContact C-N 3.28Å; V223-H225 PolarHBondContact O-N 2.8Å; H225-S228 PolarHBondContact O-N 2.86Å; H225-S229 PolarHBondContact CE1-OG 2.79Å; H225-S229 WeakPolarHBondContact O-CB 3.28Å; H225-S229 PolarHBondContact O-N 3.09Å; H225-S229 PolarHBondContact O-OG 3.42Å
226G90.2Very high91.2Very high29 Ų2950.1 Ų50.130%0.29930%0.298SS..Hα-helixtrans-58.9-46.8175.900000112.1I222 V223 S229 A230I222-G226 PolarHBondContact O-N 3.39Å; V223-G226 PolarHBondContact O-N 3.12Å; V223-G226 VanDerWaalsContact O-N 3.14Å; G226-S229 PolarHBondContact O-N 3.16Å; G226-A230 WeakPolarHBondContact O-CB 3.44Å; G226-A230 PolarHBondContact O-N 2.69Å
227M92.2Very high91.6Very high54 Ų5445.5 Ų45.527%0.26627%0.274SS..Hα-helixtrans-62-48.1176.9-68.2-174.575.800111.9P119 M131 V223 S229 A230 H231P119-M227 HydrophobicContact CB-CG 4.25Å; P119-M227 HydrophobicContact CG-CG 4.32Å; M131-M227 HydrophobicContact CE-CB 3.92Å; M131-M227 WeakPolarHBondContact CE-O 3.37Å; M131-M227 HydrophobicContact SD-CB 4.14Å; M131-M227 HydrophobicContact SD-CE 3.83Å; V223-M227 HydrophobicContact CG1-CG 4.42Å; V223-M227 HydrophobicContact CG1-SD 4.19Å; V223-M227 WeakPolarHBondContact O-CG 2.9Å; V223-M227 PolarHBondContact O-N 3.36Å; M227-S229 VanDerWaalsContact C-N 3.33Å; M227-S229 PolarHBondContact O-N 3.36Å; M227-A230 PolarHBondContact O-N 3.06Å; M227-H231 PolarHBondContact O-N 2.95Å
228S92.1Very high91.8Very high47 Ų4741.2 Ų41.233%0.32925%0.253SS..Hα-helixtrans-61-42.2179.1-59.80000111.9A224 H225 H231 V232A224-S228 WeakPolarHBondContact O-CB 3.26Å; A224-S228 PolarHBondContact O-N 3.37Å; A224-S228 PolarHBondContact O-OG 3.22Å; H225-S228 PolarHBondContact O-N 2.86Å; S228-H231 PolarHBondContact O-N 3.03Å; S228-V232 WeakPolarHBondContact O-CG2 3.21Å; S228-V232 PolarHBondContact O-N 3.42Å; S228-V232 VanDerWaalsContact O-N 3.09Å
229S92.7Very high92Very high16 Ų1640.9 Ų40.911%0.11225%0.246CC..Hα-helixtrans-63.7-45.8176.5-61.50000111.5H225 G226 M227 H231 V232 L233H225-S229 PolarHBondContact CE1-OG 2.79Å; H225-S229 WeakPolarHBondContact O-CB 3.28Å; H225-S229 PolarHBondContact O-N 3.09Å; H225-S229 PolarHBondContact O-OG 3.42Å; G226-S229 PolarHBondContact O-N 3.16Å; M227-S229 VanDerWaalsContact C-N 3.33Å; M227-S229 PolarHBondContact O-N 3.36Å; S229-H231 VanDerWaalsContact C-N 3.32Å; S229-H231 PolarHBondContact O-N 2.86Å; S229-V232 PolarHBondContact O-N 2.88Å; S229-L233 WeakPolarHBondContact O-CB 3.38Å; S229-L233 VanDerWaalsContact O-CG 3.28Å; S229-L233 WeakPolarHBondContact O-CG 3.41Å; S229-L233 PolarHBondContact O-N 3.26Å
230A93.4Very high92.4Very high1 Ų138.5 Ų38.51%0.00823%0.23CC..Hα-helixtrans-59.4-42.7175.800000111.5P119 Y124 F129 G226 M227 L233 N234P119-A230 HydrophobicContact CB-CB 3.79Å; Y124-A230 HydrophobicContact CD1-CB 3.54Å; Y124-A230 HydrophobicContact CE1-CB 4.08Å; Y124-A230 HydrophobicContact CG-CB 4.18Å; F129-A230 HydrophobicContact CD1-CB 3.92Å; F129-A230 HydrophobicContact CE1-CB 3.7Å; F129-A230 HydrophobicContact CE2-CB 4.38Å; F129-A230 HydrophobicContact CG-CB 4.36Å; F129-A230 HydrophobicContact CZ-CB 3.94Å; G226-A230 WeakPolarHBondContact O-CB 3.44Å; G226-A230 PolarHBondContact O-N 2.69Å; M227-A230 PolarHBondContact O-N 3.06Å; A230-L233 PolarHBondContact O-N 3.34Å; A230-N234 WeakPolarHBondContact O-CB 3.41Å; A230-N234 PolarHBondContact O-N 3.47Å
231H94Very high92.6Very high78 Ų7836.5 Ų36.536%0.36121%0.21SC..Hα-helixtrans-62.4-46.3178.5-179.185.6000112.6F129 M131 M227 S228 S229 N234 A235F129-H231 HydrophobicContact CE1-CB 3.98Å; M131-H231 HydrophobicContact CE-CB 3.59Å; M131-H231 HydrophobicContact CG-CB 4.37Å; M131-H231 HydrophobicContact SD-CB 4.34Å; M227-H231 PolarHBondContact O-N 2.95Å; S228-H231 PolarHBondContact O-N 3.03Å; S229-H231 VanDerWaalsContact C-N 3.32Å; S229-H231 PolarHBondContact O-N 2.86Å; H231-N234 PolarHBondContact O-N 2.98Å; H231-A235 WeakPolarHBondContact O-CB 3.48Å; H231-A235 PolarHBondContact O-N 3.34Å
232V93.5Very high92.8Very high36 Ų3637.7 Ų37.722%0.21822%0.217CC..Hα-helixtrans-63.8-46.8178.6173.10000111.2L207 S228 S229 A235 A236L207-V232 HydrophobicContact CD1-CB 4.4Å; L207-V232 HydrophobicContact CD1-CG1 4.31Å; S228-V232 WeakPolarHBondContact O-CG2 3.21Å; S228-V232 PolarHBondContact O-N 3.42Å; S228-V232 VanDerWaalsContact O-N 3.09Å; S229-V232 PolarHBondContact O-N 2.88Å; V232-A235 PolarHBondContact O-N 3.02Å; V232-A236 WeakPolarHBondContact O-CB 3.27Å; V232-A236 PolarHBondContact O-N 3.35Å
233L94.5Very high93.2Very high5 Ų535.3 Ų35.33%0.02620%0.204CC..Hα-helixtrans-64.6-39.7178.7-68.3169.6000111.6Y124 P204 P205 L207 S229 A230 A236 R237Y124-L233 HydrophobicContact CD2-CB 3.8Å; Y124-L233 HydrophobicContact CD2-CD1 4.35Å; Y124-L233 HydrophobicContact CE2-CB 4.05Å; Y124-L233 HydrophobicContact CE2-CD1 3.77Å; P204-L233 HydrophobicContact CB-CD2 4.04Å; P205-L233 WeakPolarHBondContact O-CD2 3.32Å; L207-L233 HydrophobicContact CD2-CD2 4.44Å; L207-L233 HydrophobicContact CG-CD2 4.26Å; L207-L233 HydrophobicContact CG-CG 4.37Å; S229-L233 WeakPolarHBondContact O-CB 3.38Å; S229-L233 VanDerWaalsContact O-CG 3.28Å; S229-L233 WeakPolarHBondContact O-CG 3.41Å; S229-L233 PolarHBondContact O-N 3.26Å; A230-L233 PolarHBondContact O-N 3.34Å; L233-A236 PolarHBondContact O-N 3.25Å; L233-R237 WeakPolarHBondContact O-CB 3.46Å; L233-R237 PolarHBondContact O-N 2.85Å
234N94.5Very high93.6Very high7 Ų731.4 Ų31.44%0.03718%0.18CC..Hα-helixtrans-58.8-49.7173.9-171.272.2000112.6Y124 G127 V128 F129 A230 H231 A236 R237 K238Y124-N234 WeakPolarHBondContact CA-OD1 3.45Å; Y124-N234 WeakPolarHBondContact O-CA 3.24Å; G127-N234 WeakPolarHBondContact CA-OD1 3.34Å; V128-N234 PolarHBondContact N-OD1 2.86Å; F129-N234 HydrophobicContact CB-CB 4.21Å; F129-N234 HydrophobicContact CD1-CB 4.16Å; F129-N234 PolarHBondContact N-OD1 2.85Å; F129-N234 VanDerWaalsContact N-OD1 3.15Å; F129-N234 PolarHBondContact O-ND2 2.99Å; A230-N234 WeakPolarHBondContact O-CB 3.41Å; A230-N234 PolarHBondContact O-N 3.47Å; H231-N234 PolarHBondContact O-N 2.98Å; N234-A236 VanDerWaalsContact C-N 3.34Å; N234-A236 PolarHBondContact O-N 3.3Å; N234-R237 PolarHBondContact O-N 3.21Å; N234-K238 WeakPolarHBondContact O-CG 3.41Å; N234-K238 PolarHBondContact O-N 2.76Å
235A93.9Very high93.9Very high22 Ų2230.8 Ų30.818%0.18217%0.173CC..Hα-helixtrans-63.3-41.9178.700000111.5H231 V232 K238 R239H231-A235 WeakPolarHBondContact O-CB 3.48Å; H231-A235 PolarHBondContact O-N 3.34Å; V232-A235 PolarHBondContact O-N 3.02Å; A235-K238 PolarHBondContact O-N 2.67Å; A235-R239 WeakPolarHBondContact O-CG 3.26Å; A235-R239 PolarHBondContact O-N 3.25Å
236A94.8Very high94.3Very high11 Ų1133.6 Ų33.69%0.09119%0.186CC..Hα-helixtrans-62.5-43.6175.800000111.9P204 V232 L233 N234 R239 Q240 G315P204-A236 HydrophobicContact CB-CB 4.43Å; P204-A236 HydrophobicContact CG-CB 3.88Å; V232-A236 WeakPolarHBondContact O-CB 3.27Å; V232-A236 PolarHBondContact O-N 3.35Å; L233-A236 PolarHBondContact O-N 3.25Å; N234-A236 VanDerWaalsContact C-N 3.34Å; N234-A236 PolarHBondContact O-N 3.3Å; A236-R239 PolarHBondContact O-N 3.19Å; A236-Q240 PolarHBondContact O-N 3.28Å; A236-G315 WeakPolarHBondContact CA-O 3.42Å; A236-G315 VanDerWaalsContact O-CA 3.22Å; A236-G315 WeakPolarHBondContact O-CA 3.34Å
237R94.8Very high94.6Very high3 Ų332.4 Ų32.41%0.01117%0.173CC..Hα-helixtrans-62.8-47.2176.1179.864.7167.4177.6-7.5112.6N125 Y201 L233 N234 R239 Q240 L241 S485N125-R237 WeakPolarHBondContact O-CD 3.41Å; N125-R237 VanDerWaalsContact O-CG 3.25Å; N125-R237 WeakPolarHBondContact O-CG 3.2Å; N125-R237 PolarHBondContact O-NE 2.9Å; Y201-R237 PolarHBondContact O-NH1 2.86Å; Y201-R237 PolarHBondContact O-NH2 3.12Å; L233-R237 WeakPolarHBondContact O-CB 3.46Å; L233-R237 PolarHBondContact O-N 2.85Å; N234-R237 PolarHBondContact O-N 3.21Å; R237-R239 PolarHBondContact O-N 2.91Å; R237-Q240 VanDerWaalsContact NH1-CD 3.31Å; R237-Q240 WeakPolarHBondContact O-CB 3.09Å; R237-Q240 PolarHBondContact O-N 3.38Å; R237-Q240 VanDerWaalsContact O-N 3.1Å; R237-L241 HydrophobicContact CG-CD1 4.14Å; R237-L241 HydrophobicContact CG-CG 4.35Å; R237-L241 PolarHBondContact O-N 3.13Å; R237-S485 PolarHBondContact NH2-O 3.35Å; R237-S485 VanDerWaalsContact NH2-O 3.1Å
238K93.4Very high94.7Very high69 Ų6929.8 Ų29.830%0.316%0.16SC..Hα-helixtrans-52.6-44.9177.1-79.2-176.4175-176.50110.9G127 N234 A235 T242G127-K238 WeakPolarHBondContact O-CE 3.49Å; N234-K238 WeakPolarHBondContact O-CG 3.41Å; N234-K238 PolarHBondContact O-N 2.76Å; A235-K238 PolarHBondContact O-N 2.67Å; K238-T242 VanDerWaalsContact O-CB 3.22Å; K238-T242 WeakPolarHBondContact O-CB 3.35Å; K238-T242 PolarHBondContact O-N 2.77Å; K238-T242 PolarHBondContact O-OG1 3.41Å
239R95.4Very high94.8Very high63 Ų6328.9 Ų28.924%0.23815%0.154CC..Hα-helixtrans-66.1-43.2177.7-66-176.6-151.5103.34.6112.8A235 A236 R237 T242 R243 L314 G315 S316A235-R239 WeakPolarHBondContact O-CG 3.26Å; A235-R239 PolarHBondContact O-N 3.25Å; A236-R239 PolarHBondContact O-N 3.19Å; R237-R239 PolarHBondContact O-N 2.91Å; R239-T242 PolarHBondContact O-N 3.45Å; R239-R243 WeakPolarHBondContact O-CG 3.38Å; R239-R243 PolarHBondContact O-N 2.93Å; R239-L314 CarbonylContact C-O 3.46Å; R239-G315 PolarHBondContact NH1-O 3.27Å; R239-S316 WeakPolarHBondContact CD-O 3.32Å
240Q96.3Very high95Very high12 Ų1231.3 Ų31.36%0.05616%0.162CC..Hα-helixtrans-55.8-54.6176.2176.4-173.12200111.3L200 A202 A236 R237 T242 R243 L244 L314L200-Q240 PolarHBondContact O-NE2 2.79Å; A202-Q240 PolarHBondContact O-NE2 3.42Å; A236-Q240 PolarHBondContact O-N 3.28Å; R237-Q240 VanDerWaalsContact NH1-CD 3.31Å; R237-Q240 WeakPolarHBondContact O-CB 3.09Å; R237-Q240 PolarHBondContact O-N 3.38Å; R237-Q240 VanDerWaalsContact O-N 3.1Å; Q240-T242 PolarHBondContact O-N 3.31Å; Q240-R243 PolarHBondContact O-N 2.73Å; Q240-L244 HydrophobicContact CG-CD1 4.28Å; Q240-L244 WeakPolarHBondContact O-CG 3.26Å; Q240-L244 PolarHBondContact O-N 3.45Å; Q240-L314 WeakPolarHBondContact CA-O 3.23Å; Q240-L314 HydrophobicContact CB-CB 4.23Å; Q240-L314 HydrophobicContact CG-CB 3.91Å; Q240-L314 PolarHBondContact N-O 3.24Å
241L95.2Very high95.1Very high23 Ų2331.3 Ų31.312%0.1216%0.162CC..Hα-helixtrans-64.2-42.6-179.5-66.3-178.7000111.7Y201 R237 R243 L244 S245 H481Y201-L241 HydrophobicContact CD1-CD2 4.01Å; Y201-L241 HydrophobicContact CE1-CD2 4.24Å; R237-L241 HydrophobicContact CG-CD1 4.14Å; R237-L241 HydrophobicContact CG-CG 4.35Å; R237-L241 PolarHBondContact O-N 3.13Å; L241-R243 VanDerWaalsContact C-N 3.32Å; L241-R243 PolarHBondContact O-N 3.28Å; L241-L244 PolarHBondContact O-N 3.32Å; L241-S245 WeakPolarHBondContact O-CB 3.46Å; L241-S245 PolarHBondContact O-N 3.07Å; L241-H481 PolarHBondContact O-CE1 2.97Å; L241-H481 VanDerWaalsContact O-CE1 3.3Å; L241-H481 PolarHBondContact O-NE2 3.35Å
242T94.6Very high95Very high72 Ų7230.7 Ų30.744%0.44216%0.161SC..Hα-helixtrans-59.1-42.3178.2-60.80000111.9K238 R239 Q240 S245 Q246K238-T242 VanDerWaalsContact O-CB 3.22Å; K238-T242 WeakPolarHBondContact O-CB 3.35Å; K238-T242 PolarHBondContact O-N 2.77Å; K238-T242 PolarHBondContact O-OG1 3.41Å; R239-T242 PolarHBondContact O-N 3.45Å; Q240-T242 PolarHBondContact O-N 3.31Å; T242-S245 PolarHBondContact O-N 3.26Å; T242-Q246 HydrophobicContact CG2-CG 4.49Å; T242-Q246 WeakPolarHBondContact O-CB 3.49Å; T242-Q246 VanDerWaalsContact O-CG 3.24Å; T242-Q246 WeakPolarHBondContact O-CG 3.24Å; T242-Q246 PolarHBondContact O-N 2.82Å
243R95.8Very high95Very high20 Ų2037.2 Ų37.28%0.07518%0.182CC..Hα-helixtrans-67.5-42.4179.8-73.3173.8-173.5131.35.1112.3R239 Q240 L241 Q246 W247 L314 S316 D318R239-R243 WeakPolarHBondContact O-CG 3.38Å; R239-R243 PolarHBondContact O-N 2.93Å; Q240-R243 PolarHBondContact O-N 2.73Å; L241-R243 VanDerWaalsContact C-N 3.32Å; L241-R243 PolarHBondContact O-N 3.28Å; R243-Q246 WeakPolarHBondContact O-CB 3.41Å; R243-Q246 PolarHBondContact O-N 3.01Å; R243-W247 PolarHBondContact O-N 2.86Å; R243-L314 WeakPolarHBondContact CD-O 3.35Å; R243-L314 PolarHBondContact NH1-O 3.27Å; R243-S316 VanDerWaalsContact CZ-O 3.25Å; R243-S316 PolarHBondContact NH1-O 2.87Å; R243-S316 PolarHBondContact NH2-O 3.01Å; R243-D318 IonicContact NH2-OD1 3.56Å; R243-D318 PolarHBondContact NH2-OD1 3.36Å
244L96.8Very high94.9Very high0 Ų038.2 Ų38.20%019%0.194CC..Hα-helixtrans-62.4-44.5174.2-67.9167.6000111.2L200 Y201 Q240 L241 Q246 W247 I248 F272 L314L200-L244 HydrophobicContact CB-CD2 4.42Å; L200-L244 HydrophobicContact CD2-CD2 4.44Å; L200-L244 WeakPolarHBondContact O-CD1 3.26Å; Y201-L244 HydrophobicContact CD1-CD1 3.9Å; Y201-L244 HydrophobicContact CD2-CD1 4.3Å; Y201-L244 HydrophobicContact CE1-CD1 3.71Å; Y201-L244 HydrophobicContact CE2-CD1 4.09Å; Y201-L244 HydrophobicContact CG-CD1 4.2Å; Q240-L244 HydrophobicContact CG-CD1 4.28Å; Q240-L244 WeakPolarHBondContact O-CG 3.26Å; Q240-L244 PolarHBondContact O-N 3.45Å; L241-L244 PolarHBondContact O-N 3.32Å; L244-Q246 VanDerWaalsContact C-N 3.33Å; L244-Q246 PolarHBondContact O-N 3.27Å; L244-W247 HydrophobicContact CD2-CE3 3.85Å; L244-W247 HydrophobicContact CD2-CZ3 3.77Å; L244-W247 PolarHBondContact O-N 3.4Å; L244-I248 PolarHBondContact O-N 3.48Å; L244-I248 VanDerWaalsContact O-N 3.1Å; L244-F272 HydrophobicContact CB-CE1 4.42Å; L244-F272 HydrophobicContact CD2-CD1 4.04Å; L244-F272 HydrophobicContact CD2-CE1 3.99Å; L244-L314 HydrophobicContact CD1-CD1 4.42Å; L244-L314 HydrophobicContact CD2-CD1 3.99Å; L244-L314 HydrophobicContact CG-CD1 4.25Å
245S95.2Very high94.9Very high41 Ų4141 Ų4129%0.28721%0.211SC..Hα-helixtrans-61.6-38.7175.4179.90000112.3L241 T242 W247 I248 S249L241-S245 WeakPolarHBondContact O-CB 3.46Å; L241-S245 PolarHBondContact O-N 3.07Å; T242-S245 PolarHBondContact O-N 3.26Å; S245-W247 PolarHBondContact O-N 2.64Å; S245-I248 WeakPolarHBondContact O-CB 3.46Å; S245-I248 PolarHBondContact O-N 3.03Å; S245-S249 WeakPolarHBondContact O-CB 3.34Å; S245-S249 PolarHBondContact O-N 2.89Å
246Q96Very high95Very high96 Ų9641.4 Ų41.445%0.44921%0.21SC..Hα-helixtrans-59.8-44.5174.7-77.6170-4.100111.8T242 R243 L244 S249 F250T242-Q246 HydrophobicContact CG2-CG 4.49Å; T242-Q246 WeakPolarHBondContact O-CB 3.49Å; T242-Q246 VanDerWaalsContact O-CG 3.24Å; T242-Q246 WeakPolarHBondContact O-CG 3.24Å; T242-Q246 PolarHBondContact O-N 2.82Å; R243-Q246 WeakPolarHBondContact O-CB 3.41Å; R243-Q246 PolarHBondContact O-N 3.01Å; L244-Q246 VanDerWaalsContact C-N 3.33Å; L244-Q246 PolarHBondContact O-N 3.27Å; Q246-S249 WeakPolarHBondContact O-CB 3.45Å; Q246-S249 PolarHBondContact O-N 3.03Å; Q246-S249 VanDerWaalsContact O-N 3.16Å; Q246-S249 PolarHBondContact O-OG 2.91Å; Q246-F250 WeakPolarHBondContact O-CD2 3.35Å; Q246-F250 PolarHBondContact O-N 3.44Å; Q246-F250 VanDerWaalsContact O-N 3.1Å
247W97.2Very high95.1Very high4 Ų441.1 Ų41.12%0.01521%0.207CC..Hα-helixtrans-62.9-43.7177-62-21.2000112.5R243 L244 S245 S249 F250 W251 P257 S261 F265 E268 L269 F272 L314R243-W247 PolarHBondContact O-N 2.86Å; L244-W247 HydrophobicContact CD2-CE3 3.85Å; L244-W247 HydrophobicContact CD2-CZ3 3.77Å; L244-W247 PolarHBondContact O-N 3.4Å; S245-W247 PolarHBondContact O-N 2.64Å; W247-S249 VanDerWaalsContact C-N 3.27Å; W247-S249 PolarHBondContact O-N 3.24Å; W247-F250 WeakPolarHBondContact O-CB 3.42Å; W247-F250 PolarHBondContact O-N 3.43Å; W247-F250 VanDerWaalsContact O-N 3.13Å; W247-W251 HydrophobicContact CB-CH2 4.43Å; W247-W251 HydrophobicContact CB-CZ3 4.39Å; W247-W251 PolarHBondContact O-N 3.02Å; W247-W251 VanDerWaalsContact O-N 3.09Å; W247-P257 HydrophobicContact CB-CG 4.42Å; W247-P257 HydrophobicContact CG-CG 4.27Å; W247-S261 PolarHBondContact NE1-OG 2.94Å; W247-F265 HydrophobicContact CH2-CB 3.71Å; W247-F265 HydrophobicContact CH2-CD2 4.45Å; W247-F265 HydrophobicContact CH2-CG 4.2Å; W247-F265 HydrophobicContact CZ2-CB 3.76Å; W247-F265 AromaticContact CZ2-CD2 3.9Å; W247-F265 HydrophobicContact CZ2-CD2 3.9Å; W247-F265 HydrophobicContact CZ2-CG 4.08Å; W247-E268 HydrophobicContact CH2-CB 3.83Å; W247-E268 HydrophobicContact CZ3-CB 4.05Å; W247-L269 HydrophobicContact CD2-CD2 3.53Å; W247-L269 HydrophobicContact CD2-CG 4.5Å; W247-L269 HydrophobicContact CE3-CD2 3.85Å; W247-L269 HydrophobicContact CG-CD2 3.94Å; W247-L269 HydrophobicContact CH2-CD2 4.1Å; W247-L269 HydrophobicContact CH2-CG 4.08Å; W247-L269 HydrophobicContact CZ2-CD2 3.89Å; W247-L269 HydrophobicContact CZ2-CG 3.98Å; W247-L269 HydrophobicContact CZ3-CD2 4.1Å; W247-L269 HydrophobicContact CZ3-CG 4.44Å; W247-F272 HydrophobicContact CB-CE1 4.42Å; W247-F272 AromaticContact CE3-CD1 3.74Å; W247-F272 HydrophobicContact CE3-CD1 3.74Å; W247-F272 HydrophobicContact CE3-CE1 4.24Å; W247-F272 HydrophobicContact CZ3-CD1 4.38Å; W247-L314 HydrophobicContact CH2-CD2 3.59Å; W247-L314 HydrophobicContact CZ2-CD2 4.27Å; W247-L314 HydrophobicContact CZ3-CD2 4.13Å
248I94.9Very high95Very high0 Ų043.1 Ų43.10%022%0.222CC..Hα-helixtrans-55.1-45.6171.1-74.8156000110.9L244 S245 F250 W251 D252 F272 L477 H481L244-I248 PolarHBondContact O-N 3.48Å; L244-I248 VanDerWaalsContact O-N 3.1Å; S245-I248 WeakPolarHBondContact O-CB 3.46Å; S245-I248 PolarHBondContact O-N 3.03Å; I248-F250 VanDerWaalsContact C-N 3.26Å; I248-F250 PolarHBondContact O-N 3.11Å; I248-W251 HydrophobicContact CG1-CE3 4.42Å; I248-W251 PolarHBondContact O-N 3.04Å; I248-W251 VanDerWaalsContact O-N 3.09Å; I248-D252 PolarHBondContact O-N 3.39Å; I248-F272 HydrophobicContact CD1-CE1 4.2Å; I248-F272 HydrophobicContact CD1-CZ 3.68Å; I248-F272 HydrophobicContact CG1-CE1 3.99Å; I248-F272 HydrophobicContact CG1-CZ 3.73Å; I248-L477 HydrophobicContact CB-CB 4.49Å; I248-L477 HydrophobicContact CG1-CB 4.35Å; I248-L477 HydrophobicContact CG2-CB 3.49Å; I248-L477 VanDerWaalsContact CG2-CB 3.49Å; I248-L477 HydrophobicContact CG2-CD1 4.33Å; I248-H481 HydrophobicContact CD1-CB 3.45Å; I248-H481 VanDerWaalsContact CD1-CB 3.45Å
249S94.8Very high94.9Very high28 Ų2841.8 Ų41.820%0.19622%0.219CC..Hα-helixtrans-64.1-28-179.891.60000113.7S245 Q246 W247 R253S245-S249 WeakPolarHBondContact O-CB 3.34Å; S245-S249 PolarHBondContact O-N 2.89Å; Q246-S249 WeakPolarHBondContact O-CB 3.45Å; Q246-S249 PolarHBondContact O-N 3.03Å; Q246-S249 VanDerWaalsContact O-N 3.16Å; Q246-S249 PolarHBondContact O-OG 2.91Å; W247-S249 VanDerWaalsContact C-N 3.27Å; W247-S249 PolarHBondContact O-N 3.24Å; S249-R253 WeakPolarHBondContact O-CG 3.42Å; S249-R253 PolarHBondContact O-NE 2.84Å; S249-R253 PolarHBondContact OG-NH2 3.04Å
250F96.2Very high94.7Very high67 Ų6744.1 Ų44.129%0.29423%0.233SC..Hα-helixtrans-71.5-47.2171.6-75-69.3000110.2Q246 W247 I248 D252 R253 G254 T255 P257Q246-F250 WeakPolarHBondContact O-CD2 3.35Å; Q246-F250 PolarHBondContact O-N 3.44Å; Q246-F250 VanDerWaalsContact O-N 3.1Å; W247-F250 WeakPolarHBondContact O-CB 3.42Å; W247-F250 PolarHBondContact O-N 3.43Å; W247-F250 VanDerWaalsContact O-N 3.13Å; I248-F250 VanDerWaalsContact C-N 3.26Å; I248-F250 PolarHBondContact O-N 3.11Å; F250-D252 PolarHBondContact O-N 2.88Å; F250-R253 CarbonylContact O-C 3.28Å; F250-R253 PolarHBondContact O-N 3.21Å; F250-R253 VanDerWaalsContact O-N 3.11Å; F250-G254 PolarHBondContact O-N 2.85Å; F250-T255 CarbonylContact C-O 3.52Å; F250-T255 VanDerWaalsContact C-O 3.28Å; F250-T255 PolarHBondContact O-N 3.19Å; F250-T255 VanDerWaalsContact O-O 3.13Å; F250-T255 PolarHBondContact O-OG1 3.5Å; F250-P257 HydrophobicContact CD2-CB 4.45Å
251W95Very high94.6Very high0 Ų044.2 Ų44.20%024%0.235CC..Hα-helixtrans-64.7-39179.6-63.6-33.1000113.4W247 I248 R253 G254 F272 I276 V288 V292 T295 L477W247-W251 HydrophobicContact CB-CH2 4.43Å; W247-W251 HydrophobicContact CB-CZ3 4.39Å; W247-W251 PolarHBondContact O-N 3.02Å; W247-W251 VanDerWaalsContact O-N 3.09Å; I248-W251 HydrophobicContact CG1-CE3 4.42Å; I248-W251 PolarHBondContact O-N 3.04Å; I248-W251 VanDerWaalsContact O-N 3.09Å; W251-R253 PolarHBondContact O-N 3.46Å; W251-G254 WeakPolarHBondContact O-CA 3.46Å; W251-G254 PolarHBondContact O-N 3.23Å; W251-F272 HydrophobicContact CH2-CB 4.08Å; W251-F272 AromaticContact CH2-CD1 3.36Å; W251-F272 HydrophobicContact CH2-CD1 3.36Å; W251-F272 AromaticContact CH2-CE1 3.94Å; W251-F272 HydrophobicContact CH2-CE1 3.94Å; W251-F272 AromaticContact CH2-CG 3.76Å; W251-F272 HydrophobicContact CH2-CG 3.76Å; W251-F272 AromaticContact CZ3-CD1 3.39Å; W251-F272 HydrophobicContact CZ3-CD1 3.39Å; W251-F272 HydrophobicContact CZ3-CD2 4.42Å; W251-F272 AromaticContact CZ3-CE1 3.46Å; W251-F272 HydrophobicContact CZ3-CE1 3.46Å; W251-F272 VanDerWaalsContact CZ3-CE1 3.46Å; W251-F272 HydrophobicContact CZ3-CE2 4.45Å; W251-F272 AromaticContact CZ3-CG 3.92Å; W251-F272 HydrophobicContact CZ3-CG 3.92Å; W251-F272 HydrophobicContact CZ3-CZ 4.01Å; W251-I276 HydrophobicContact CD2-CD1 4.37Å; W251-I276 HydrophobicContact CE3-CD1 3.37Å; W251-I276 HydrophobicContact CH2-CD1 3.93Å; W251-I276 HydrophobicContact CZ3-CD1 3.12Å; W251-V288 HydrophobicContact CB-CG1 4.42Å; W251-V288 WeakPolarHBondContact O-CG2 3.44Å; W251-V292 HydrophobicContact CB-CG2 4.14Å; W251-V292 HydrophobicContact CD2-CG2 3.75Å; W251-V292 HydrophobicContact CE3-CG2 4.25Å; W251-V292 HydrophobicContact CG-CG2 3.71Å; W251-T295 HydrophobicContact CZ2-CG2 3.92Å; W251-T295 PolarHBondContact NE1-OG1 3.46Å; W251-L477 HydrophobicContact CB-CD1 4.15Å
252D91.9Very high94.4Very high65 Ų6543.3 Ų43.335%0.34823%0.23SC..Hα-helixtrans-57.7-34.3173.2-80.4-19.2000111.9I248 F250 G254 N478I248-D252 PolarHBondContact O-N 3.39Å; F250-D252 PolarHBondContact O-N 2.88Å; D252-G254 VanDerWaalsContact C-N 3.28Å; D252-N478 PolarHBondContact OD2-ND2 3.3Å
253R93.1Very high94.2Very high173 Ų17340.4 Ų40.465%0.65321%0.212SC*.THydrogen-bonded Turntrans-82.7-1.9174.6-72.4179.5-102.9-103.55.1113.7S249 F250 W251 T255S249-R253 WeakPolarHBondContact O-CG 3.42Å; S249-R253 PolarHBondContact O-NE 2.84Å; S249-R253 PolarHBondContact OG-NH2 3.04Å; F250-R253 CarbonylContact O-C 3.28Å; F250-R253 PolarHBondContact O-N 3.21Å; F250-R253 VanDerWaalsContact O-N 3.11Å; W251-R253 PolarHBondContact O-N 3.46Å; R253-T255 VanDerWaalsContact C-N 3.28Å; R253-T255 PolarHBondContact O-N 2.99Å
254G92.8Very high94Very high27 Ų2739.9 Ų39.928%0.27821%0.21SC..THydrogen-bonded Turntrans73.217.8-175.500000114.5F250 W251 D252 T287F250-G254 PolarHBondContact O-N 2.85Å; W251-G254 WeakPolarHBondContact O-CA 3.46Å; W251-G254 PolarHBondContact O-N 3.23Å; D252-G254 VanDerWaalsContact C-N 3.28Å; G254-T287 VanDerWaalsContact CA-CG2 3.47Å
255T95.6Very high93.9Very high65 Ų6540.2 Ų40.240%0.39921%0.212SC..  trans-109.6166.7-179.759.20000111.1F250 R253F250-T255 CarbonylContact C-O 3.52Å; F250-T255 VanDerWaalsContact C-O 3.28Å; F250-T255 PolarHBondContact O-N 3.19Å; F250-T255 VanDerWaalsContact O-O 3.13Å; F250-T255 PolarHBondContact O-OG1 3.5Å; R253-T255 VanDerWaalsContact C-N 3.28Å; R253-T255 PolarHBondContact O-N 2.99Å
256I96.1Very high93.8Very high31 Ų3138.3 Ų38.316%0.15920%0.198CC..PPolyproline II helixtrans-95.7155.717761.1172.7000110.2F262 K294 L298I256-F262 HydrophobicContact CB-CZ 4.38Å; I256-F262 HydrophobicContact CD1-CE2 4.29Å; I256-F262 HydrophobicContact CD1-CZ 4.5Å; I256-K294 HydrophobicContact CG2-CB 4.18Å; I256-K294 HydrophobicContact CG2-CD 4.01Å; I256-K294 HydrophobicContact CG2-CG 4.04Å; I256-L298 HydrophobicContact CD1-CD1 3.58Å
257P95.7Very high93.7Very high4 Ų436.8 Ų36.83%0.02619%0.189CC..PPolyproline II helixtrans-54.9165.8171.7-28.637.6000114W247 F250 F262 L269 T295W247-P257 HydrophobicContact CB-CG 4.42Å; W247-P257 HydrophobicContact CG-CG 4.27Å; F250-P257 HydrophobicContact CD2-CB 4.45Å; P257-F262 HydrophobicContact CB-CE2 4.29Å; P257-F262 VanDerWaalsContact O-CE2 3.31Å; P257-F262 WeakPolarHBondContact O-CE2 3.45Å; P257-L269 HydrophobicContact CB-CD2 4.23Å; P257-L269 HydrophobicContact CG-CD2 3.74Å; P257-T295 WeakPolarHBondContact CD-OG1 3.48Å; P257-T295 HydrophobicContact CG-CG2 4.08Å
258S93.9Very high93.6Very high46 Ų4638.7 Ų38.732%0.32220%0.198SC..PPolyproline II helixtrans-63.7154.1178.265.60000112.5E260 S261 F262S258-E260 PolarHBondContact O-N 3.13Å; S258-S261 VanDerWaalsContact O-CB 3.28Å; S258-S261 WeakPolarHBondContact O-CB 3.49Å; S258-S261 PolarHBondContact O-N 3.45Å; S258-S261 PolarHBondContact OG-N 2.99Å; S258-S261 PolarHBondContact OG-OG 3.33Å; S258-F262 VanDerWaalsContact O-CD2 3.28Å; S258-F262 WeakPolarHBondContact O-CD2 3.4Å; S258-F262 PolarHBondContact O-N 3.49Å
259T91.2Very high93.7Very high41 Ų4138.7 Ų38.725%0.25220%0.198SC..Hα-helixtrans-54.5-38.5174.5-52.10000112.1S261 F262 L263 L340T259-S261 VanDerWaalsContact C-N 3.28Å; T259-S261 PolarHBondContact O-N 2.88Å; T259-F262 PolarHBondContact O-N 2.73Å; T259-F262 VanDerWaalsContact O-N 3.17Å; T259-L263 WeakPolarHBondContact O-CG 3.41Å; T259-L263 PolarHBondContact O-N 3.49Å; T259-L340 HydrophobicContact CG2-CD1 4.12Å
260E90.9Very high93.7Very high112 Ų11238 Ų3852%0.52319%0.192SC..Hα-helixtrans-59.2-38.3175.4-64173.4174.300112.2S258 F262 L263 L264 L325S258-E260 PolarHBondContact O-N 3.13Å; E260-F262 VanDerWaalsContact C-N 3.33Å; E260-F262 PolarHBondContact O-N 2.78Å; E260-L263 PolarHBondContact O-N 2.79Å; E260-L264 WeakPolarHBondContact O-CB 3.46Å; E260-L264 VanDerWaalsContact O-CG 3.29Å; E260-L264 WeakPolarHBondContact O-CG 3.44Å; E260-L264 PolarHBondContact O-N 2.9Å; E260-L325 HydrophobicContact CB-CD2 4.32Å; E260-L325 HydrophobicContact CG-CD1 4.28Å; E260-L325 HydrophobicContact CG-CD2 4.26Å
261S92.6Very high93.7Very high13 Ų1336.2 Ų36.29%0.09118%0.184CC..Hα-helixtrans-62.8-40.6176.9-58.70000111.4W247 S258 T259 F265W247-S261 PolarHBondContact NE1-OG 2.94Å; S258-S261 VanDerWaalsContact O-CB 3.28Å; S258-S261 WeakPolarHBondContact O-CB 3.49Å; S258-S261 PolarHBondContact O-N 3.45Å; S258-S261 PolarHBondContact OG-N 2.99Å; S258-S261 PolarHBondContact OG-OG 3.33Å; T259-S261 VanDerWaalsContact C-N 3.28Å; T259-S261 PolarHBondContact O-N 2.88Å; S261-F265 CarbonylContact O-C 3.52Å; S261-F265 WeakPolarHBondContact O-CA 3.4Å; S261-F265 PolarHBondContact O-N 2.86Å
262F92.5Very high93.8Very high4 Ų436.2 Ų36.22%0.01818%0.184CC..Hα-helixtrans-67.4-36.1175.5-68.3-78.7000112.4I256 P257 S258 T259 E260 P266 L269 T295 L298 A299 Q302I256-F262 HydrophobicContact CB-CZ 4.38Å; I256-F262 HydrophobicContact CD1-CE2 4.29Å; I256-F262 HydrophobicContact CD1-CZ 4.5Å; P257-F262 HydrophobicContact CB-CE2 4.29Å; P257-F262 VanDerWaalsContact O-CE2 3.31Å; P257-F262 WeakPolarHBondContact O-CE2 3.45Å; S258-F262 VanDerWaalsContact O-CD2 3.28Å; S258-F262 WeakPolarHBondContact O-CD2 3.4Å; S258-F262 PolarHBondContact O-N 3.49Å; T259-F262 PolarHBondContact O-N 2.73Å; T259-F262 VanDerWaalsContact O-N 3.17Å; E260-F262 VanDerWaalsContact C-N 3.33Å; E260-F262 PolarHBondContact O-N 2.78Å; F262-P266 WeakPolarHBondContact O-CB 3.38Å; F262-P266 WeakPolarHBondContact O-CD 3.35Å; F262-L269 HydrophobicContact CD1-CD1 3.69Å; F262-L269 HydrophobicContact CE1-CD1 3.93Å; F262-L269 HydrophobicContact CG-CD1 4.05Å; F262-L269 HydrophobicContact CZ-CD1 4.49Å; F262-T295 HydrophobicContact CE1-CG2 3.88Å; F262-T295 HydrophobicContact CZ-CG2 3.92Å; F262-L298 HydrophobicContact CD1-CB 4.21Å; F262-L298 HydrophobicContact CE1-CB 3.68Å; F262-L298 HydrophobicContact CZ-CB 4.09Å; F262-L298 HydrophobicContact CZ-CD1 4.18Å; F262-A299 HydrophobicContact CD1-CB 4.28Å; F262-A299 HydrophobicContact CE1-CB 4.27Å; F262-Q302 VanDerWaalsContact O-CG 3.28Å; F262-Q302 WeakPolarHBondContact O-CG 3.2Å
263L90.4Very high94Very high12 Ų1233.1 Ų33.16%0.06317%0.168CC..Hα-helixtrans-68.3-40.5178.3-69176.1000112.4T259 E260 L328 L336T259-L263 WeakPolarHBondContact O-CG 3.41Å; T259-L263 PolarHBondContact O-N 3.49Å; E260-L263 PolarHBondContact O-N 2.79Å; L263-L328 HydrophobicContact CB-CD1 4.26Å; L263-L336 HydrophobicContact CD2-CD2 4.3Å
264L91.6Very high94.2Very high9 Ų927.6 Ų27.65%0.04715%0.147CC..Hα-helixtrans-90.4-40.9-172.6-63.1175.2000113.1E260 P310 I312 I321 A324 L325 L328E260-L264 WeakPolarHBondContact O-CB 3.46Å; E260-L264 VanDerWaalsContact O-CG 3.29Å; E260-L264 WeakPolarHBondContact O-CG 3.44Å; E260-L264 PolarHBondContact O-N 2.9Å; L264-P310 HydrophobicContact CD2-CG 3.97Å; L264-I312 HydrophobicContact CD2-CD1 3.84Å; L264-I321 HydrophobicContact CD1-CG2 3.72Å; L264-A324 HydrophobicContact CD2-CB 4.3Å; L264-L325 HydrophobicContact CD1-CD1 4.28Å; L264-L325 HydrophobicContact CD1-CD2 3.91Å; L264-L325 HydrophobicContact CD1-CG 4.02Å; L264-L325 HydrophobicContact CD2-CD2 3.84Å; L264-L325 HydrophobicContact CD2-CG 4.12Å; L264-L325 HydrophobicContact CG-CD2 3.87Å; L264-L325 HydrophobicContact CG-CG 4.38Å; L264-L328 HydrophobicContact CD2-CD1 4.01Å
265F93.7Very high94.3Very high7 Ų726.3 Ų26.33%0.03113%0.134CC..  trans-128.347.8-169-49.9-69.1000113.5W247 S261 Y267 E268 L269 I312 L314 I321W247-F265 HydrophobicContact CH2-CB 3.71Å; W247-F265 HydrophobicContact CH2-CD2 4.45Å; W247-F265 HydrophobicContact CH2-CG 4.2Å; W247-F265 HydrophobicContact CZ2-CB 3.76Å; W247-F265 AromaticContact CZ2-CD2 3.9Å; W247-F265 HydrophobicContact CZ2-CD2 3.9Å; W247-F265 HydrophobicContact CZ2-CG 4.08Å; S261-F265 CarbonylContact O-C 3.52Å; S261-F265 WeakPolarHBondContact O-CA 3.4Å; S261-F265 PolarHBondContact O-N 2.86Å; F265-Y267 VanDerWaalsContact C-N 3.29Å; F265-Y267 PolarHBondContact O-N 3.4Å; F265-E268 VanDerWaalsContact C-OE2 3.31Å; F265-E268 WeakPolarHBondContact CA-OE2 3.36Å; F265-E268 HydrophobicContact CB-CB 4.22Å; F265-E268 PolarHBondContact O-N 2.85Å; F265-L269 WeakPolarHBondContact O-CB 3.41Å; F265-L269 WeakPolarHBondContact O-CG 3.36Å; F265-L269 PolarHBondContact O-N 3.24Å; F265-I312 HydrophobicContact CE1-CB 4.34Å; F265-I312 HydrophobicContact CE1-CG2 3.81Å; F265-I312 HydrophobicContact CZ-CG2 3.96Å; F265-L314 HydrophobicContact CD1-CD2 3.9Å; F265-L314 HydrophobicContact CE1-CD2 4.15Å; F265-L314 HydrophobicContact CG-CD2 4.12Å; F265-I321 HydrophobicContact CZ-CD1 4.2Å
266P93.6Very high94.2Very high1 Ų123.3 Ų23.31%0.00612%0.115CC..Hα-helixtrans-65.9-31.7-176.227.8-34.6000112.6F262 M270 Q302 T303 P309F262-P266 WeakPolarHBondContact O-CB 3.38Å; F262-P266 WeakPolarHBondContact O-CD 3.35Å; P266-M270 VanDerWaalsContact O-CB 3.3Å; P266-M270 WeakPolarHBondContact O-CB 3.23Å; P266-M270 PolarHBondContact O-N 2.97Å; P266-M270 VanDerWaalsContact O-N 3.14Å; P266-Q302 HydrophobicContact CB-CB 4.22Å; P266-Q302 HydrophobicContact CB-CG 4.08Å; P266-T303 HydrophobicContact CB-CG2 3.78Å; P266-T303 HydrophobicContact CG-CG2 4.21Å; P266-P309 HydrophobicContact CG-CB 4.45Å
267Y93.2Very high94.1Very high64 Ų6424 Ų2425%0.25112%0.119SC..Hα-helixtrans-73.6-45.2179.7-69.6-73.8000111.4F265 L269 M270 E271 T303 P309F265-Y267 VanDerWaalsContact C-N 3.29Å; F265-Y267 PolarHBondContact O-N 3.4Å; Y267-L269 VanDerWaalsContact C-N 3.34Å; Y267-L269 PolarHBondContact O-N 2.81Å; Y267-M270 HydrophobicContact CD1-CE 3.84Å; Y267-M270 HydrophobicContact CE1-CE 4.44Å; Y267-M270 WeakPolarHBondContact O-CB 3.36Å; Y267-M270 PolarHBondContact O-N 2.97Å; Y267-E271 WeakPolarHBondContact O-CG 3.5Å; Y267-E271 PolarHBondContact O-N 3.12Å; Y267-T303 HydrophobicContact CD1-CG2 3.79Å; Y267-T303 HydrophobicContact CD2-CG2 4.46Å; Y267-T303 HydrophobicContact CE1-CG2 3.63Å; Y267-T303 HydrophobicContact CE2-CG2 4.34Å; Y267-T303 HydrophobicContact CG-CG2 4.2Å; Y267-P309 HydrophobicContact CD2-CG 4.11Å; Y267-P309 HydrophobicContact CE2-CG 3.56Å
268E95.4Very high94Very high44 Ų4426 Ų2621%0.20613%0.133CC..Hα-helixtrans-63.5-41.6179-63.177.3-177.100110.7L200 W247 F265 M270 E271 F272 L314L200-E268 HydrophobicContact CD2-CB 3.86Å; L200-E268 HydrophobicContact CD2-CG 4.27Å; W247-E268 HydrophobicContact CH2-CB 3.83Å; W247-E268 HydrophobicContact CZ3-CB 4.05Å; F265-E268 VanDerWaalsContact C-OE2 3.31Å; F265-E268 WeakPolarHBondContact CA-OE2 3.36Å; F265-E268 HydrophobicContact CB-CB 4.22Å; F265-E268 PolarHBondContact O-N 2.85Å; E268-M270 VanDerWaalsContact C-N 3.34Å; E268-M270 PolarHBondContact O-N 3.34Å; E268-E271 PolarHBondContact O-N 3.19Å; E268-F272 WeakPolarHBondContact O-CB 3.18Å; E268-F272 PolarHBondContact O-N 3.19Å; E268-L314 HydrophobicContact CB-CD2 4.47Å; E268-L314 HydrophobicContact CG-CD1 4.16Å; E268-L314 HydrophobicContact CG-CD2 4.3Å; E268-L314 HydrophobicContact CG-CG 4.17Å
269L96.5Very high93.8Very high0 Ų024.5 Ų24.50%012%0.121CC..Hα-helixtrans-61.6-41.5173.2-77.8175.1000112.5W247 P257 F262 F265 Y267 S273 T295 A299W247-L269 HydrophobicContact CD2-CD2 3.53Å; W247-L269 HydrophobicContact CD2-CG 4.5Å; W247-L269 HydrophobicContact CE3-CD2 3.85Å; W247-L269 HydrophobicContact CG-CD2 3.94Å; W247-L269 HydrophobicContact CH2-CD2 4.1Å; W247-L269 HydrophobicContact CH2-CG 4.08Å; W247-L269 HydrophobicContact CZ2-CD2 3.89Å; W247-L269 HydrophobicContact CZ2-CG 3.98Å; W247-L269 HydrophobicContact CZ3-CD2 4.1Å; W247-L269 HydrophobicContact CZ3-CG 4.44Å; P257-L269 HydrophobicContact CB-CD2 4.23Å; P257-L269 HydrophobicContact CG-CD2 3.74Å; F262-L269 HydrophobicContact CD1-CD1 3.69Å; F262-L269 HydrophobicContact CE1-CD1 3.93Å; F262-L269 HydrophobicContact CG-CD1 4.05Å; F262-L269 HydrophobicContact CZ-CD1 4.49Å; F265-L269 WeakPolarHBondContact O-CB 3.41Å; F265-L269 WeakPolarHBondContact O-CG 3.36Å; F265-L269 PolarHBondContact O-N 3.24Å; Y267-L269 VanDerWaalsContact C-N 3.34Å; Y267-L269 PolarHBondContact O-N 2.81Å; L269-S273 VanDerWaalsContact O-CB 3.26Å; L269-S273 WeakPolarHBondContact O-CB 3.25Å; L269-S273 PolarHBondContact O-N 3.12Å; L269-S273 PolarHBondContact O-OG 3.1Å; L269-T295 HydrophobicContact CB-CG2 4.4Å; L269-T295 HydrophobicContact CD2-CG2 4.12Å; L269-A299 HydrophobicContact CB-CB 4.07Å
270M95.5Very high92.9Very high13 Ų1328.7 Ų28.76%0.06415%0.147CC..Hα-helixtrans-64.5-49.7177.9178.5177.670.100111P266 Y267 E268 S273 R274 L296 A299 Y300P266-M270 VanDerWaalsContact O-CB 3.3Å; P266-M270 WeakPolarHBondContact O-CB 3.23Å; P266-M270 PolarHBondContact O-N 2.97Å; P266-M270 VanDerWaalsContact O-N 3.14Å; Y267-M270 HydrophobicContact CD1-CE 3.84Å; Y267-M270 HydrophobicContact CE1-CE 4.44Å; Y267-M270 WeakPolarHBondContact O-CB 3.36Å; Y267-M270 PolarHBondContact O-N 2.97Å; E268-M270 VanDerWaalsContact C-N 3.34Å; E268-M270 PolarHBondContact O-N 3.34Å; M270-S273 PolarHBondContact O-N 3.19Å; M270-R274 VanDerWaalsContact CE-NH1 3.3Å; M270-R274 VanDerWaalsContact CG-CZ 3.44Å; M270-R274 WeakPolarHBondContact O-CG 3.3Å; M270-R274 PolarHBondContact O-N 2.95Å; M270-R274 PolarHBondContact SD-NH2 3.46Å; M270-L296 HydrophobicContact CB-CD1 4.32Å; M270-L296 HydrophobicContact CG-CD1 3.66Å; M270-A299 HydrophobicContact CB-CB 4.09Å; M270-Y300 HydrophobicContact SD-CD2 4.11Å
271E96.1Very high91.8Very high29 Ų2932 Ų3214%0.13616%0.163CC..Hα-helixtrans-61.1-46176.7-69.6-55.2126.600111.8I196 R199 Y267 E268 S273 R274 L275I196-E271 HydrophobicContact CG2-CB 4.05Å; I196-E271 WeakPolarHBondContact CG2-O 3.26Å; R199-E271 IonicContact CZ-OE2 3.05Å; R199-E271 IonicContact NE-OE2 3.95Å; R199-E271 IonicContact NH2-OE2 3.87Å; R199-E271 PolarHBondContact NH2-OE2 3.43Å; Y267-E271 WeakPolarHBondContact O-CG 3.5Å; Y267-E271 PolarHBondContact O-N 3.12Å; E268-E271 PolarHBondContact O-N 3.19Å; E271-S273 VanDerWaalsContact C-N 3.31Å; E271-S273 PolarHBondContact O-N 3.33Å; E271-R274 WeakPolarHBondContact O-CB 3.42Å; E271-R274 PolarHBondContact O-N 2.88Å; E271-R274 VanDerWaalsContact O-N 3.12Å; E271-R274 IonicContact OE1-CZ 3.2Å; E271-R274 IonicContact OE1-NH1 3.92Å; E271-R274 PolarHBondContact OE1-NH1 2.88Å; E271-L275 PolarHBondContact O-N 3.5Å
272F97.3Very high90.9Very high0 Ų033.4 Ų33.40%017%0.167CC..Hα-helixtrans-66.6-36.9-178.7-164.8-162.2000112.1L200 Y201 L244 W247 I248 W251 E268 L275 I276 W484L200-F272 HydrophobicContact CD1-CB 3.58Å; L200-F272 HydrophobicContact CD1-CD2 3.76Å; L200-F272 HydrophobicContact CD1-CG 3.87Å; L200-F272 HydrophobicContact CD2-CB 4.41Å; Y201-F272 HydrophobicContact CE2-CE2 4.14Å; Y201-F272 HydrophobicContact CE2-CZ 4.43Å; Y201-F272 WeakPolarHBondContact OH-CZ 3.35Å; L244-F272 HydrophobicContact CB-CE1 4.42Å; L244-F272 HydrophobicContact CD2-CD1 4.04Å; L244-F272 HydrophobicContact CD2-CE1 3.99Å; W247-F272 HydrophobicContact CB-CE1 4.42Å; W247-F272 AromaticContact CE3-CD1 3.74Å; W247-F272 HydrophobicContact CE3-CD1 3.74Å; W247-F272 HydrophobicContact CE3-CE1 4.24Å; W247-F272 HydrophobicContact CZ3-CD1 4.38Å; I248-F272 HydrophobicContact CD1-CE1 4.2Å; I248-F272 HydrophobicContact CD1-CZ 3.68Å; I248-F272 HydrophobicContact CG1-CE1 3.99Å; I248-F272 HydrophobicContact CG1-CZ 3.73Å; W251-F272 HydrophobicContact CH2-CB 4.08Å; W251-F272 AromaticContact CH2-CD1 3.36Å; W251-F272 HydrophobicContact CH2-CD1 3.36Å; W251-F272 AromaticContact CH2-CE1 3.94Å; W251-F272 HydrophobicContact CH2-CE1 3.94Å; W251-F272 AromaticContact CH2-CG 3.76Å; W251-F272 HydrophobicContact CH2-CG 3.76Å; W251-F272 AromaticContact CZ3-CD1 3.39Å; W251-F272 HydrophobicContact CZ3-CD1 3.39Å; W251-F272 HydrophobicContact CZ3-CD2 4.42Å; W251-F272 AromaticContact CZ3-CE1 3.46Å; W251-F272 HydrophobicContact CZ3-CE1 3.46Å; W251-F272 VanDerWaalsContact CZ3-CE1 3.46Å; W251-F272 HydrophobicContact CZ3-CE2 4.45Å; W251-F272 AromaticContact CZ3-CG 3.92Å; W251-F272 HydrophobicContact CZ3-CG 3.92Å; W251-F272 HydrophobicContact CZ3-CZ 4.01Å; E268-F272 WeakPolarHBondContact O-CB 3.18Å; E268-F272 PolarHBondContact O-N 3.19Å; F272-L275 HydrophobicContact CD2-CD2 4.27Å; F272-L275 HydrophobicContact CE2-CD2 4.48Å; F272-L275 PolarHBondContact O-N 2.9Å; F272-I276 HydrophobicContact CD2-CD1 4.35Å; F272-I276 HydrophobicContact CD2-CG1 4.46Å; F272-I276 HydrophobicContact CE2-CD1 4.21Å; F272-I276 HydrophobicContact CE2-CG1 4.39Å; F272-I276 PolarHBondContact O-N 3.14Å; F272-I276 VanDerWaalsContact O-N 3.13Å; F272-W484 HydrophobicContact CE2-CE3 4.02Å; F272-W484 HydrophobicContact CE2-CH2 4.12Å; F272-W484 AromaticContact CE2-CZ3 3.54Å; F272-W484 HydrophobicContact CE2-CZ3 3.54Å; F272-W484 HydrophobicContact CZ-CZ3 4.05Å
273S96.9Very high90.2Very high0 Ų040.8 Ų40.80%020%0.2CC..Hα-helixtrans-64.2-40.3172.9-57.10000111.7L269 M270 E271 I276 L277L269-S273 VanDerWaalsContact O-CB 3.26Å; L269-S273 WeakPolarHBondContact O-CB 3.25Å; L269-S273 PolarHBondContact O-N 3.12Å; L269-S273 PolarHBondContact O-OG 3.1Å; M270-S273 PolarHBondContact O-N 3.19Å; E271-S273 VanDerWaalsContact C-N 3.31Å; E271-S273 PolarHBondContact O-N 3.33Å; S273-I276 PolarHBondContact O-N 3.45Å; S273-L277 WeakPolarHBondContact O-CB 3.38Å; S273-L277 WeakPolarHBondContact O-CG 3.49Å; S273-L277 PolarHBondContact O-N 3.36Å
274R95.9Very high90Very high58 Ų5841.2 Ų41.222%0.21920%0.201CC..Hα-helixtrans-62.5-44.3174.7-74.1178.7-176.7129.54.9112I196 M270 E271 I276 L277 S278 L296I196-R274 HydrophobicContact CD1-CB 4.42Å; M270-R274 VanDerWaalsContact CE-NH1 3.3Å; M270-R274 VanDerWaalsContact CG-CZ 3.44Å; M270-R274 WeakPolarHBondContact O-CG 3.3Å; M270-R274 PolarHBondContact O-N 2.95Å; M270-R274 PolarHBondContact SD-NH2 3.46Å; E271-R274 WeakPolarHBondContact O-CB 3.42Å; E271-R274 PolarHBondContact O-N 2.88Å; E271-R274 VanDerWaalsContact O-N 3.12Å; E271-R274 IonicContact OE1-CZ 3.2Å; E271-R274 IonicContact OE1-NH1 3.92Å; E271-R274 PolarHBondContact OE1-NH1 2.88Å; R274-I276 PolarHBondContact O-N 2.8Å; R274-L277 PolarHBondContact O-N 3Å; R274-S278 WeakPolarHBondContact O-CB 3.39Å; R274-S278 PolarHBondContact O-N 3.47Å; R274-L296 HydrophobicContact CG-CD1 4.11Å
275L95.7Very high89.9Confident0 Ų043.8 Ų43.80%022%0.219CC..Hα-helixtrans-55-53.3176.7178.360.1000110.5Q193 I196 I197 E271 F272 L277 S278 L279 W484Q193-L275 HydrophobicContact CB-CD1 3.97Å; Q193-L275 HydrophobicContact CG-CD1 3.99Å; I196-L275 HydrophobicContact CB-CB 4.45Å; I196-L275 HydrophobicContact CG2-CB 3.75Å; I196-L275 HydrophobicContact CG2-CD2 4.26Å; I196-L275 HydrophobicContact CG2-CG 4.44Å; I197-L275 HydrophobicContact CD1-CD1 4.42Å; I197-L275 HydrophobicContact CG1-CD1 4.11Å; I197-L275 HydrophobicContact CG1-CD2 3.81Å; E271-L275 PolarHBondContact O-N 3.5Å; F272-L275 HydrophobicContact CD2-CD2 4.27Å; F272-L275 HydrophobicContact CE2-CD2 4.48Å; F272-L275 PolarHBondContact O-N 2.9Å; L275-L277 VanDerWaalsContact C-N 3.34Å; L275-L277 PolarHBondContact O-N 3.14Å; L275-S278 PolarHBondContact O-N 3.31Å; L275-S278 VanDerWaalsContact O-N 3.16Å; L275-S278 PolarHBondContact O-OG 2.95Å; L275-L279 PolarHBondContact O-N 3.05Å; L275-W484 HydrophobicContact CD2-CD2 4.12Å; L275-W484 HydrophobicContact CD2-CH2 4.23Å; L275-W484 HydrophobicContact CD2-CZ2 3.74Å; L275-W484 HydrophobicContact CG-CH2 4.45Å; L275-W484 HydrophobicContact CG-CZ2 3.86Å
276I93.7Very high89.7Confident1 Ų147.3 Ų47.31%0.00525%0.245CC..Hα-helixtrans-61.5-42.4-179.5-66.5171.2000111.7W251 F272 S273 R274 S278 L279 F284 V292 L477 W484W251-I276 HydrophobicContact CD2-CD1 4.37Å; W251-I276 HydrophobicContact CE3-CD1 3.37Å; W251-I276 HydrophobicContact CH2-CD1 3.93Å; W251-I276 HydrophobicContact CZ3-CD1 3.12Å; F272-I276 HydrophobicContact CD2-CD1 4.35Å; F272-I276 HydrophobicContact CD2-CG1 4.46Å; F272-I276 HydrophobicContact CE2-CD1 4.21Å; F272-I276 HydrophobicContact CE2-CG1 4.39Å; F272-I276 PolarHBondContact O-N 3.14Å; F272-I276 VanDerWaalsContact O-N 3.13Å; S273-I276 PolarHBondContact O-N 3.45Å; R274-I276 PolarHBondContact O-N 2.8Å; I276-S278 VanDerWaalsContact C-N 3.28Å; I276-S278 PolarHBondContact O-N 2.99Å; I276-L279 PolarHBondContact O-N 3.18Å; I276-F284 HydrophobicContact CG2-CD2 4.1Å; I276-F284 HydrophobicContact CG2-CE2 4.03Å; I276-V292 HydrophobicContact CB-CG1 4.22Å; I276-V292 HydrophobicContact CD1-CG2 4.34Å; I276-V292 HydrophobicContact CG2-CG1 4.27Å; I276-V292 HydrophobicContact CG2-CG2 4.09Å; I276-L477 HydrophobicContact CD1-CD2 3.86Å; I276-L477 HydrophobicContact CG1-CD2 4.05Å; I276-L477 HydrophobicContact CG2-CD2 4.2Å; I276-W484 HydrophobicContact CG1-CH2 4.04Å
277L94Very high89.7Confident47 Ų4750.2 Ų50.225%0.24626%0.263CS..Hα-helixtrans-70.2-23.3179.5-66.8170.7000113.3S273 R274 L275 L279 L289 V292 K293 L296S273-L277 WeakPolarHBondContact O-CB 3.38Å; S273-L277 WeakPolarHBondContact O-CG 3.49Å; S273-L277 PolarHBondContact O-N 3.36Å; R274-L277 PolarHBondContact O-N 3Å; L275-L277 VanDerWaalsContact C-N 3.34Å; L275-L277 PolarHBondContact O-N 3.14Å; L277-L279 VanDerWaalsContact C-N 3.32Å; L277-L289 HydrophobicContact CD2-CD2 4.09Å; L277-V292 HydrophobicContact CD1-CG1 4.09Å; L277-V292 HydrophobicContact CD2-CB 4.49Å; L277-V292 HydrophobicContact CD2-CG1 4.09Å; L277-V292 HydrophobicContact CG-CG1 3.75Å; L277-K293 HydrophobicContact CD1-CG 3.96Å; L277-K293 HydrophobicContact CD2-CD 4.49Å; L277-K293 HydrophobicContact CD2-CG 3.77Å; L277-L296 HydrophobicContact CD1-CD2 3.81Å
278S93Very high89.7Confident44 Ų4447.5 Ų47.531%0.30825%0.253SS..Hα-helixtrans-75.5-20.3176.978.10000113.4Q193 R274 L275 I276 T280Q193-S278 WeakPolarHBondContact CG-OG 3.36Å; Q193-S278 PolarHBondContact NE2-OG 2.76Å; R274-S278 WeakPolarHBondContact O-CB 3.39Å; R274-S278 PolarHBondContact O-N 3.47Å; L275-S278 PolarHBondContact O-N 3.31Å; L275-S278 VanDerWaalsContact O-N 3.16Å; L275-S278 PolarHBondContact O-OG 2.95Å; I276-S278 VanDerWaalsContact C-N 3.28Å; I276-S278 PolarHBondContact O-N 2.99Å; S278-T280 PolarHBondContact O-N 3.14Å
279L90Very high89.6Confident16 Ų1648 Ų488%0.08426%0.257CS..  trans-80.164.8-178.1-67.7178.9000111.6F189 L275 I276 L277 E281 Q282 F284 M480 W484F189-L279 HydrophobicContact CD1-CD2 4.02Å; F189-L279 HydrophobicContact CE1-CD2 3.92Å; L275-L279 PolarHBondContact O-N 3.05Å; I276-L279 PolarHBondContact O-N 3.18Å; L277-L279 VanDerWaalsContact C-N 3.32Å; L279-E281 PolarHBondContact O-N 2.84Å; L279-Q282 HydrophobicContact CB-CB 4.2Å; L279-Q282 HydrophobicContact CB-CG 4.09Å; L279-Q282 HydrophobicContact CD1-CG 4.37Å; L279-Q282 PolarHBondContact O-N 3.39Å; L279-Q282 VanDerWaalsContact O-N 3.13Å; L279-F284 HydrophobicContact CB-CE2 3.94Å; L279-F284 HydrophobicContact CD1-CE2 4.08Å; L279-F284 HydrophobicContact CD1-CZ 4.09Å; L279-M480 HydrophobicContact CD1-CE 3.84Å; L279-W484 HydrophobicContact CD1-CH2 4.24Å; L279-W484 HydrophobicContact CD1-CZ2 3.55Å
280T71.6Confident89.6Confident128 Ų12855.7 Ų55.779%0.78529%0.286SS*.THydrogen-bonded Turntrans-63.2-25-177.357.60000114S278 Q282S278-T280 PolarHBondContact O-N 3.14Å; T280-Q282 VanDerWaalsContact C-N 3.32Å
281E68.2Low89.6Confident183 Ų18355.4 Ų55.486%0.85529%0.285SS*.THydrogen-bonded Turntrans-74.9-21.9177.7-61.1-173.7169.900112.9L279L279-E281 PolarHBondContact O-N 2.84Å
282Q74.1Confident89.6Confident41 Ų4154 Ų5419%0.19228%0.279CS..SBendtrans-86.7130.2-179-65.3-66.7-17.700110.6L279 T280 F284L279-Q282 HydrophobicContact CB-CB 4.2Å; L279-Q282 HydrophobicContact CB-CG 4.09Å; L279-Q282 HydrophobicContact CD1-CG 4.37Å; L279-Q282 PolarHBondContact O-N 3.39Å; L279-Q282 VanDerWaalsContact O-N 3.13Å; T280-Q282 VanDerWaalsContact C-N 3.32Å; Q282-F284 VanDerWaalsContact C-N 3.3Å; Q282-F284 HydrophobicContact CB-CD2 4.12Å; Q282-F284 HydrophobicContact CB-CE1 4.24Å; Q282-F284 HydrophobicContact CB-CE2 3.6Å; Q282-F284 HydrophobicContact CB-CZ 3.66Å; Q282-F284 HydrophobicContact CG-CE2 4.42Å; Q282-F284 HydrophobicContact CG-CZ 4.21Å; Q282-F284 PolarHBondContact O-N 3.13Å
283K77.3Confident89.6Confident160 Ų16059.7 Ų59.770%0.69630%0.304SS*.  trans-84.267-178.1-65.7-176-176.4171.50112.3
284F86.4Confident89.6Confident21 Ų2164.3 Ų64.39%0.09232%0.323CS..  trans-69.6143.9171.9-58.6-55.4000111.8I276 L279 Q282 V288 L289 L477 M480I276-F284 HydrophobicContact CG2-CD2 4.1Å; I276-F284 HydrophobicContact CG2-CE2 4.03Å; L279-F284 HydrophobicContact CB-CE2 3.94Å; L279-F284 HydrophobicContact CD1-CE2 4.08Å; L279-F284 HydrophobicContact CD1-CZ 4.09Å; Q282-F284 VanDerWaalsContact C-N 3.3Å; Q282-F284 HydrophobicContact CB-CD2 4.12Å; Q282-F284 HydrophobicContact CB-CE1 4.24Å; Q282-F284 HydrophobicContact CB-CE2 3.6Å; Q282-F284 HydrophobicContact CB-CZ 3.66Å; Q282-F284 HydrophobicContact CG-CE2 4.42Å; Q282-F284 HydrophobicContact CG-CZ 4.21Å; Q282-F284 PolarHBondContact O-N 3.13Å; F284-V288 HydrophobicContact CB-CG1 4.4Å; F284-L289 HydrophobicContact CB-CD2 3.96Å; F284-L289 HydrophobicContact CB-CG 4.04Å; F284-L289 HydrophobicContact CD2-CD2 4.3Å; F284-L477 HydrophobicContact CD1-CD2 4.15Å; F284-L477 HydrophobicContact CD1-CG 4.3Å; F284-L477 HydrophobicContact CE1-CD2 3.61Å; F284-L477 HydrophobicContact CE1-CG 4.06Å; F284-L477 HydrophobicContact CZ-CD2 3.84Å; F284-M480 HydrophobicContact CZ-CG 4.49Å
285S89.8Confident89.7Confident62 Ų6261.5 Ų61.543%0.43431%0.313SS..  trans-62.1150.6178.280.10000111.9T287 V288 L289S285-T287 PolarHBondContact O-N 3.06Å; S285-T287 VanDerWaalsContact O-N 3.14Å; S285-V288 PolarHBondContact O-N 2.95Å; S285-V288 VanDerWaalsContact OG-CG2 3.23Å; S285-V288 WeakPolarHBondContact OG-CG2 3.49Å; S285-V288 PolarHBondContact OG-N 3.19Å; S285-L289 WeakPolarHBondContact O-CG 3.45Å; S285-L289 PolarHBondContact O-N 3.45Å
286S90.5Very high89.8Confident82 Ų8262.4 Ų62.457%0.57332%0.318SS*.Hα-helixtrans-59-29.4177.558.90000113.3R290S286-R290 WeakPolarHBondContact O-CB 2.91Å; S286-R290 PolarHBondContact O-N 3.4Å
287T92.7Very high89.9Confident61 Ų6166.2 Ų66.237%0.37434%0.338SS..Hα-helixtrans-70.4-44.7179.3-630000111.1G254 S285 R290 A291G254-T287 VanDerWaalsContact CA-CG2 3.47Å; S285-T287 PolarHBondContact O-N 3.06Å; S285-T287 VanDerWaalsContact O-N 3.14Å; T287-R290 PolarHBondContact O-N 3.26Å; T287-A291 PolarHBondContact O-N 2.63Å; T287-A291 VanDerWaalsContact O-N 3.1Å
288V93Very high90Very high8 Ų864.7 Ų64.75%0.04833%0.33CS..Hα-helixtrans-59.4-52.9173.4169.90000109.9W251 F284 S285 R290 A291 V292 L477W251-V288 HydrophobicContact CB-CG1 4.42Å; W251-V288 WeakPolarHBondContact O-CG2 3.44Å; F284-V288 HydrophobicContact CB-CG1 4.4Å; S285-V288 PolarHBondContact O-N 2.95Å; S285-V288 VanDerWaalsContact OG-CG2 3.23Å; S285-V288 WeakPolarHBondContact OG-CG2 3.49Å; S285-V288 PolarHBondContact OG-N 3.19Å; V288-R290 VanDerWaalsContact C-N 3.27Å; V288-R290 PolarHBondContact O-N 2.87Å; V288-A291 WeakPolarHBondContact O-CB 3.49Å; V288-A291 PolarHBondContact O-N 2.8Å; V288-V292 HydrophobicContact CG1-CG2 4.22Å; V288-V292 VanDerWaalsContact O-CG2 3.31Å; V288-V292 WeakPolarHBondContact O-CG2 3.42Å; V288-V292 PolarHBondContact O-N 3.01Å; V288-L477 HydrophobicContact CG1-CD1 3.72Å
289L93.5Very high90.1Very high53 Ų5362.6 Ų62.628%0.27732%0.316SS..Hα-helixtrans-59.7-36.5-178.6-66.7176.2000112.8L277 F284 S285 K293L277-L289 HydrophobicContact CD2-CD2 4.09Å; F284-L289 HydrophobicContact CB-CD2 3.96Å; F284-L289 HydrophobicContact CB-CG 4.04Å; F284-L289 HydrophobicContact CD2-CD2 4.3Å; S285-L289 WeakPolarHBondContact O-CG 3.45Å; S285-L289 PolarHBondContact O-N 3.45Å; L289-K293 WeakPolarHBondContact O-CB 3.21Å; L289-K293 VanDerWaalsContact O-CG 3.29Å; L289-K293 WeakPolarHBondContact O-CG 3.44Å; L289-K293 PolarHBondContact O-N 3.26Å
290R95.8Very high90.3Very high163 Ų16366.3 Ų66.362%0.61533%0.329SS*.Hα-helixtrans-64.8-44.9174.7-172.8-172.4-59.1123.51.3111.6S286 T287 V288 K293 K294S286-R290 WeakPolarHBondContact O-CB 2.91Å; S286-R290 PolarHBondContact O-N 3.4Å; T287-R290 PolarHBondContact O-N 3.26Å; V288-R290 VanDerWaalsContact C-N 3.27Å; V288-R290 PolarHBondContact O-N 2.87Å; R290-K293 PolarHBondContact O-N 2.87Å; R290-K294 WeakPolarHBondContact O-CB 3.29Å; R290-K294 PolarHBondContact O-N 2.74Å
291A96.1Very high91.3Very high6 Ų664.7 Ų64.75%0.0531%0.311CS..Hα-helixtrans-64.8-41.1178.700000111.9T287 V288 K294 T295T287-A291 PolarHBondContact O-N 2.63Å; T287-A291 VanDerWaalsContact O-N 3.1Å; V288-A291 WeakPolarHBondContact O-CB 3.49Å; V288-A291 PolarHBondContact O-N 2.8Å; A291-K294 PolarHBondContact O-N 2.88Å; A291-T295 WeakPolarHBondContact O-CB 3.45Å; A291-T295 PolarHBondContact O-N 2.87Å; A291-T295 PolarHBondContact O-OG1 3.25Å
292V96.2Very high92.2Very high0 Ų056.1 Ų56.10%027%0.271CS..Hα-helixtrans-64-46.4176.11770000111.2W251 I276 L277 V288 K294 T295 L296W251-V292 HydrophobicContact CB-CG2 4.14Å; W251-V292 HydrophobicContact CD2-CG2 3.75Å; W251-V292 HydrophobicContact CE3-CG2 4.25Å; W251-V292 HydrophobicContact CG-CG2 3.71Å; I276-V292 HydrophobicContact CB-CG1 4.22Å; I276-V292 HydrophobicContact CD1-CG2 4.34Å; I276-V292 HydrophobicContact CG2-CG1 4.27Å; I276-V292 HydrophobicContact CG2-CG2 4.09Å; L277-V292 HydrophobicContact CD1-CG1 4.09Å; L277-V292 HydrophobicContact CD2-CB 4.49Å; L277-V292 HydrophobicContact CD2-CG1 4.09Å; L277-V292 HydrophobicContact CG-CG1 3.75Å; V288-V292 HydrophobicContact CG1-CG2 4.22Å; V288-V292 VanDerWaalsContact O-CG2 3.31Å; V288-V292 WeakPolarHBondContact O-CG2 3.42Å; V288-V292 PolarHBondContact O-N 3.01Å; V292-K294 PolarHBondContact O-N 2.94Å; V292-T295 WeakPolarHBondContact O-CB 3.17Å; V292-T295 PolarHBondContact O-N 2.92Å; V292-T295 VanDerWaalsContact O-N 3.15Å; V292-L296 PolarHBondContact O-N 2.95Å
293K97.1Very high92.8Very high120 Ų12055.1 Ų55.152%0.52227%0.268SS..Hα-helixtrans-59.5-46175.1-74.1176.1-177.8-177.30112.2L277 L289 R290 T295 L296 D297L277-K293 HydrophobicContact CD1-CG 3.96Å; L277-K293 HydrophobicContact CD2-CD 4.49Å; L277-K293 HydrophobicContact CD2-CG 3.77Å; L289-K293 WeakPolarHBondContact O-CB 3.21Å; L289-K293 VanDerWaalsContact O-CG 3.29Å; L289-K293 WeakPolarHBondContact O-CG 3.44Å; L289-K293 PolarHBondContact O-N 3.26Å; R290-K293 PolarHBondContact O-N 2.87Å; K293-T295 VanDerWaalsContact C-N 3.26Å; K293-T295 PolarHBondContact O-N 2.97Å; K293-L296 WeakPolarHBondContact O-CB 3.22Å; K293-L296 PolarHBondContact O-N 3.46Å; K293-L296 VanDerWaalsContact O-N 3.17Å; K293-D297 PolarHBondContact O-N 3.3Å
294K97.3Very high93.2Very high96 Ų9651 Ų5142%0.41726%0.256SS..Hα-helixtrans-60.6-38.6175.7-173175.1-178.5176.60111.8I256 R290 A291 V292 D297 L298I256-K294 HydrophobicContact CG2-CB 4.18Å; I256-K294 HydrophobicContact CG2-CD 4.01Å; I256-K294 HydrophobicContact CG2-CG 4.04Å; R290-K294 WeakPolarHBondContact O-CB 3.29Å; R290-K294 PolarHBondContact O-N 2.74Å; A291-K294 PolarHBondContact O-N 2.88Å; V292-K294 PolarHBondContact O-N 2.94Å; K294-D297 PolarHBondContact O-N 2.96Å; K294-L298 HydrophobicContact CG-CD1 4.15Å; K294-L298 WeakPolarHBondContact O-CB 3.44Å; K294-L298 VanDerWaalsContact O-CG 3.31Å; K294-L298 WeakPolarHBondContact O-CG 3.37Å; K294-L298 PolarHBondContact O-N 3.12Å; K294-L298 VanDerWaalsContact O-N 3.09Å
295T97.9Very high92.8Very high0 Ų056 Ų560%028%0.279CS..Hα-helixtrans-64.3-44.6175.6-560000111W251 P257 F262 L269 A291 V292 K293 D297 L298 A299W251-T295 HydrophobicContact CZ2-CG2 3.92Å; W251-T295 PolarHBondContact NE1-OG1 3.46Å; P257-T295 WeakPolarHBondContact CD-OG1 3.48Å; P257-T295 HydrophobicContact CG-CG2 4.08Å; F262-T295 HydrophobicContact CE1-CG2 3.88Å; F262-T295 HydrophobicContact CZ-CG2 3.92Å; L269-T295 HydrophobicContact CB-CG2 4.4Å; L269-T295 HydrophobicContact CD2-CG2 4.12Å; A291-T295 WeakPolarHBondContact O-CB 3.45Å; A291-T295 PolarHBondContact O-N 2.87Å; A291-T295 PolarHBondContact O-OG1 3.25Å; V292-T295 WeakPolarHBondContact O-CB 3.17Å; V292-T295 PolarHBondContact O-N 2.92Å; V292-T295 VanDerWaalsContact O-N 3.15Å; K293-T295 VanDerWaalsContact C-N 3.26Å; K293-T295 PolarHBondContact O-N 2.97Å; T295-D297 PolarHBondContact O-N 2.78Å; T295-L298 PolarHBondContact O-N 3.32Å; T295-A299 WeakPolarHBondContact O-CB 3.2Å; T295-A299 PolarHBondContact O-N 2.77Å
296L97.3Very high92Very high19 Ų1953.8 Ų53.810%0.09926%0.263CS..Hα-helixtrans-57.6-48.2175.7179.761.4000111.8M270 R274 L277 V292 K293 L298 A299 Y300M270-L296 HydrophobicContact CB-CD1 4.32Å; M270-L296 HydrophobicContact CG-CD1 3.66Å; R274-L296 HydrophobicContact CG-CD1 4.11Å; L277-L296 HydrophobicContact CD1-CD2 3.81Å; V292-L296 PolarHBondContact O-N 2.95Å; K293-L296 WeakPolarHBondContact O-CB 3.22Å; K293-L296 PolarHBondContact O-N 3.46Å; K293-L296 VanDerWaalsContact O-N 3.17Å; L296-L298 PolarHBondContact O-N 3.09Å; L296-A299 PolarHBondContact O-N 2.92Å; L296-Y300 WeakPolarHBondContact O-CB 3.3Å; L296-Y300 PolarHBondContact O-N 3.17Å
297D96.5Very high90.9Very high81 Ų8158.1 Ų58.143%0.43327%0.271SS..Hα-helixtrans-62.8-44.3-179.2-67.2-25.3000112K293 K294 T295 K301K293-D297 PolarHBondContact O-N 3.3Å; K294-D297 PolarHBondContact O-N 2.96Å; T295-D297 PolarHBondContact O-N 2.78Å; D297-K301 WeakPolarHBondContact O-CG 3.22Å; D297-K301 PolarHBondContact O-N 2.82Å
298L95.9Very high89.8Confident15 Ų1561.9 Ų61.98%0.07929%0.289CS..Hα-helixtrans-68.9-41.4178.5-70.7174.5000112.1I256 F262 K294 T295 L296 Y300 K301 Q302 L340I256-L298 HydrophobicContact CD1-CD1 3.58Å; F262-L298 HydrophobicContact CD1-CB 4.21Å; F262-L298 HydrophobicContact CE1-CB 3.68Å; F262-L298 HydrophobicContact CZ-CB 4.09Å; F262-L298 HydrophobicContact CZ-CD1 4.18Å; K294-L298 HydrophobicContact CG-CD1 4.15Å; K294-L298 WeakPolarHBondContact O-CB 3.44Å; K294-L298 VanDerWaalsContact O-CG 3.31Å; K294-L298 WeakPolarHBondContact O-CG 3.37Å; K294-L298 PolarHBondContact O-N 3.12Å; K294-L298 VanDerWaalsContact O-N 3.09Å; T295-L298 PolarHBondContact O-N 3.32Å; L296-L298 PolarHBondContact O-N 3.09Å; L298-Y300 VanDerWaalsContact C-N 3.35Å; L298-K301 PolarHBondContact O-N 3.34Å; L298-Q302 WeakPolarHBondContact O-CB 3.48Å; L298-Q302 PolarHBondContact O-N 3.44Å; L298-L340 HydrophobicContact CD2-CD2 4.45Å
299A94.7Very high88.7Confident0 Ų061.9 Ų61.90%029%0.289CS..Hα-helixtrans-62.3-44.117600000110.9F262 L269 M270 T295 L296 Q302 T303F262-A299 HydrophobicContact CD1-CB 4.28Å; F262-A299 HydrophobicContact CE1-CB 4.27Å; L269-A299 HydrophobicContact CB-CB 4.07Å; M270-A299 HydrophobicContact CB-CB 4.09Å; T295-A299 WeakPolarHBondContact O-CB 3.2Å; T295-A299 PolarHBondContact O-N 2.77Å; L296-A299 PolarHBondContact O-N 2.92Å; A299-Q302 WeakPolarHBondContact O-CB 3.16Å; A299-Q302 PolarHBondContact O-N 3.02Å; A299-T303 WeakPolarHBondContact O-CG2 3.43Å; A299-T303 PolarHBondContact O-N 3.34Å
300Y93.8Very high87.8Confident94 Ų9460.9 Ų60.937%0.36929%0.286SS..Hα-helixtrans-59.2-51.8175.2-176.3-97.3000111.6M270 L296 L298 Q302 T303 T304M270-Y300 HydrophobicContact SD-CD2 4.11Å; L296-Y300 WeakPolarHBondContact O-CB 3.3Å; L296-Y300 PolarHBondContact O-N 3.17Å; L298-Y300 VanDerWaalsContact C-N 3.35Å; Y300-Q302 PolarHBondContact O-N 2.89Å; Y300-T303 PolarHBondContact O-N 3.21Å; Y300-T303 VanDerWaalsContact O-N 3.12Å; Y300-T303 PolarHBondContact O-OG1 3.23Å; Y300-T304 HydrophobicContact CD1-CG2 4.48Å; Y300-T304 HydrophobicContact CE1-CG2 4.12Å; Y300-T304 PolarHBondContact O-N 2.65Å
301K92.6Very high87Confident93 Ų9359.7 Ų59.740%0.40429%0.291SS..Hα-helixtrans-51.9-45.6173.8-74.2174.4175.7-178.90111D297 L298 T303 T304 H305 D343D297-K301 WeakPolarHBondContact O-CG 3.22Å; D297-K301 PolarHBondContact O-N 2.82Å; L298-K301 PolarHBondContact O-N 3.34Å; K301-T303 PolarHBondContact O-N 3.46Å; K301-T304 PolarHBondContact O-N 2.88Å; K301-T304 VanDerWaalsContact O-N 3.14Å; K301-T304 PolarHBondContact O-OG1 3.16Å; K301-H305 PolarHBondContact O-CD2 3.27Å; K301-H305 PolarHBondContact O-N 2.84Å; K301-H305 VanDerWaalsContact O-N 3.14Å; K301-D343 IonicContact NZ-OD2 2.99Å; K301-D343 PolarHBondContact NZ-OD2 2.95Å
302Q88Confident86.6Confident4 Ų460.4 Ų60.42%0.01929%0.294CS..Hα-helixtrans-64.5-39.1-179.2-170.858.418.800113.2F262 P266 L298 A299 Y300 T304 H305 N306F262-Q302 VanDerWaalsContact O-CG 3.28Å; F262-Q302 WeakPolarHBondContact O-CG 3.2Å; P266-Q302 HydrophobicContact CB-CB 4.22Å; P266-Q302 HydrophobicContact CB-CG 4.08Å; L298-Q302 WeakPolarHBondContact O-CB 3.48Å; L298-Q302 PolarHBondContact O-N 3.44Å; A299-Q302 WeakPolarHBondContact O-CB 3.16Å; A299-Q302 PolarHBondContact O-N 3.02Å; Y300-Q302 PolarHBondContact O-N 2.89Å; Q302-T304 VanDerWaalsContact C-N 3.27Å; Q302-T304 PolarHBondContact O-N 3.4Å; Q302-H305 PolarHBondContact O-N 3.19Å; Q302-N306 WeakPolarHBondContact O-CB 3.49Å; Q302-N306 PolarHBondContact O-N 2.67Å
303T86Confident86.3Confident19 Ų1963 Ų6312%0.11731%0.312CS..Hα-helixtrans-63.9-30.7174.162.80000113P266 Y267 A299 Y300 K301P266-T303 HydrophobicContact CB-CG2 3.78Å; P266-T303 HydrophobicContact CG-CG2 4.21Å; Y267-T303 HydrophobicContact CD1-CG2 3.79Å; Y267-T303 HydrophobicContact CD2-CG2 4.46Å; Y267-T303 HydrophobicContact CE1-CG2 3.63Å; Y267-T303 HydrophobicContact CE2-CG2 4.34Å; Y267-T303 HydrophobicContact CG-CG2 4.2Å; A299-T303 WeakPolarHBondContact O-CG2 3.43Å; A299-T303 PolarHBondContact O-N 3.34Å; Y300-T303 PolarHBondContact O-N 3.21Å; Y300-T303 VanDerWaalsContact O-N 3.12Å; Y300-T303 PolarHBondContact O-OG1 3.23Å; K301-T303 PolarHBondContact O-N 3.46Å
304T85.5Confident86.1Confident74 Ų7457.6 Ų57.645%0.45429%0.289SS..Hα-helixtrans-74.3-32.8176.167.20000112.7Y300 K301 Q302Y300-T304 HydrophobicContact CD1-CG2 4.48Å; Y300-T304 HydrophobicContact CE1-CG2 4.12Å; Y300-T304 PolarHBondContact O-N 2.65Å; K301-T304 PolarHBondContact O-N 2.88Å; K301-T304 VanDerWaalsContact O-N 3.14Å; K301-T304 PolarHBondContact O-OG1 3.16Å; Q302-T304 VanDerWaalsContact C-N 3.27Å; Q302-T304 PolarHBondContact O-N 3.4Å
305H78.5Confident85.9Confident125 Ų12553.3 Ų53.358%0.57927%0.272SS*.Hα-helixtrans-81.7-42.6178.6-76.7-68.9000112.8K301 Q302K301-H305 PolarHBondContact O-CD2 3.27Å; K301-H305 PolarHBondContact O-N 2.84Å; K301-H305 VanDerWaalsContact O-N 3.14Å; Q302-H305 PolarHBondContact O-N 3.19Å
306N73.2Confident85.6Confident17 Ų1753.6 Ų53.69%0.09127%0.274CS..  trans-98.490.6-179.2-170.9-1.5000110.8Q302 N308Q302-N306 WeakPolarHBondContact O-CB 3.49Å; Q302-N306 PolarHBondContact O-N 2.67Å; N306-N308 VanDerWaalsContact C-N 3.27Å; N306-N308 PolarHBondContact O-N 3.41Å; N306-N308 VanDerWaalsContact OD1-C 3.25Å; N306-N308 PolarHBondContact OD1-N 2.7Å; N306-N308 PolarHBondContact OD1-O 2.71Å
307K67.1Low85.4Confident172 Ų17253.4 Ų53.475%0.74827%0.273SS*.SBendtrans-69.5-21.6-179.4-67.3-174.1179.4-179.60113.8
308N70.4Confident85.1Confident141 Ų14154.2 Ų54.275%0.75428%0.277SS*.SBendtrans-131.771.5-178.2-71.2-27.7000110.7N306N306-N308 VanDerWaalsContact C-N 3.27Å; N306-N308 PolarHBondContact O-N 3.41Å; N306-N308 VanDerWaalsContact OD1-C 3.25Å; N306-N308 PolarHBondContact OD1-N 2.7Å; N306-N308 PolarHBondContact OD1-O 2.71Å
309P70.2Confident84.9Confident7 Ų759.7 Ų59.75%0.04530%0.303CS..  trans-64.8150.2173.921.6-24.1000110.2P266 Y267P266-P309 HydrophobicContact CG-CB 4.45Å; Y267-P309 HydrophobicContact CD2-CG 4.11Å; Y267-P309 HydrophobicContact CE2-CG 3.56Å
310P74.4Confident84.7Confident32 Ų3261 Ų6121%0.20831%0.311CS..  trans-58.2145.5-177.226.5-35.5000110.9L264 I312 A324 L328L264-P310 HydrophobicContact CD2-CG 3.97Å; P310-I312 HydrophobicContact CB-CD1 3.96Å; P310-I312 HydrophobicContact CB-CG1 4.07Å; P310-I312 HydrophobicContact CG-CD1 3.94Å; P310-I312 HydrophobicContact CG-CG1 4.4Å; P310-I312 PolarHBondContact O-N 2.66Å; P310-A324 HydrophobicContact CB-CB 4.09Å; P310-A324 HydrophobicContact CG-CB 4.36Å; P310-L328 HydrophobicContact CG-CD1 4.12Å
311L78Confident84.6Confident139 Ų13957.5 Ų57.573%0.72830%0.298SS*.  trans-77.967.3178.8-69.5170.3000110.5
312I87.9Confident84.5Confident20 Ų2058.1 Ų58.110%0.10330%0.302CS..  trans-108.8144.8178-61.6172.7000108.8L264 F265 P310 S316 T320 I321 A324L264-I312 HydrophobicContact CD2-CD1 3.84Å; F265-I312 HydrophobicContact CE1-CB 4.34Å; F265-I312 HydrophobicContact CE1-CG2 3.81Å; F265-I312 HydrophobicContact CZ-CG2 3.96Å; P310-I312 HydrophobicContact CB-CD1 3.96Å; P310-I312 HydrophobicContact CB-CG1 4.07Å; P310-I312 HydrophobicContact CG-CD1 3.94Å; P310-I312 HydrophobicContact CG-CG1 4.4Å; P310-I312 PolarHBondContact O-N 2.66Å; I312-S316 WeakPolarHBondContact CG2-OG 3.43Å; I312-T320 HydrophobicContact CG1-CG2 4.48Å; I312-I321 HydrophobicContact CG2-CG1 4.22Å; I312-A324 HydrophobicContact CD1-CB 3.1Å; I312-A324 HydrophobicContact CG1-CB 4.15Å
313S90.7Very high84.6Confident54 Ų5460.8 Ų60.838%0.37832%0.317SS..  trans-100.4154.5171.2172.30000110.4G315 S316S313-G315 PolarHBondContact O-N 2.88Å; S313-G315 PolarHBondContact OG-N 3.39Å; S313-S316 PolarHBondContact N-OG 3.45Å; S313-S316 VanDerWaalsContact O-CB 3.31Å; S313-S316 WeakPolarHBondContact O-CB 3.38Å; S313-S316 PolarHBondContact O-N 2.57Å; S313-S316 PolarHBondContact O-OG 3.47Å
314L92.9Very high84.7Confident7 Ų760.6 Ų60.64%0.03732%0.317CS..THydrogen-bonded Turntrans-54-21.3168-67.6175.6000112.9L200 R239 Q240 R243 L244 W247 F265 E268L200-L314 HydrophobicContact CD2-CD1 4.45Å; R239-L314 CarbonylContact C-O 3.46Å; Q240-L314 WeakPolarHBondContact CA-O 3.23Å; Q240-L314 HydrophobicContact CB-CB 4.23Å; Q240-L314 HydrophobicContact CG-CB 3.91Å; Q240-L314 PolarHBondContact N-O 3.24Å; R243-L314 WeakPolarHBondContact CD-O 3.35Å; R243-L314 PolarHBondContact NH1-O 3.27Å; L244-L314 HydrophobicContact CD1-CD1 4.42Å; L244-L314 HydrophobicContact CD2-CD1 3.99Å; L244-L314 HydrophobicContact CG-CD1 4.25Å; W247-L314 HydrophobicContact CH2-CD2 3.59Å; W247-L314 HydrophobicContact CZ2-CD2 4.27Å; W247-L314 HydrophobicContact CZ3-CD2 4.13Å; F265-L314 HydrophobicContact CD1-CD2 3.9Å; F265-L314 HydrophobicContact CE1-CD2 4.15Å; F265-L314 HydrophobicContact CG-CD2 4.12Å; E268-L314 HydrophobicContact CB-CD2 4.47Å; E268-L314 HydrophobicContact CG-CD1 4.16Å; E268-L314 HydrophobicContact CG-CD2 4.3Å; E268-L314 HydrophobicContact CG-CG 4.17Å
315G92Very high84.9Confident7 Ų758.1 Ų58.17%0.07230%0.301CS..THydrogen-bonded Turntrans-91.6-5.6175.300000116.1A236 R239 S313A236-G315 WeakPolarHBondContact CA-O 3.42Å; A236-G315 VanDerWaalsContact O-CA 3.22Å; A236-G315 WeakPolarHBondContact O-CA 3.34Å; R239-G315 PolarHBondContact NH1-O 3.27Å; S313-G315 PolarHBondContact O-N 2.88Å; S313-G315 PolarHBondContact OG-N 3.39Å
316S92.8Very high85.3Confident6 Ų658.2 Ų58.24%0.04230%0.296CS..  trans-60.7149.5-176.9-67.10000112.1R239 R243 I312 S313R239-S316 WeakPolarHBondContact CD-O 3.32Å; R243-S316 VanDerWaalsContact CZ-O 3.25Å; R243-S316 PolarHBondContact NH1-O 2.87Å; R243-S316 PolarHBondContact NH2-O 3.01Å; I312-S316 WeakPolarHBondContact CG2-OG 3.43Å; S313-S316 PolarHBondContact N-OG 3.45Å; S313-S316 VanDerWaalsContact O-CB 3.31Å; S313-S316 WeakPolarHBondContact O-CB 3.38Å; S313-S316 PolarHBondContact O-N 2.57Å; S313-S316 PolarHBondContact O-OG 3.47Å
317D92.5Very high85.9Confident15 Ų1562.3 Ų62.38%0.0832%0.315CS..  trans-75.3166.7179.766.322.4000113.6E319 T320 I321 K381D317-E319 VanDerWaalsContact C-N 3.26Å; D317-E319 PolarHBondContact O-N 3.13Å; D317-T320 PolarHBondContact O-N 3.27Å; D317-T320 WeakPolarHBondContact OD1-CB 3.05Å; D317-T320 PolarHBondContact OD1-N 3.06Å; D317-T320 PolarHBondContact OD1-OG1 2.94Å; D317-I321 WeakPolarHBondContact O-CG1 2.73Å; D317-I321 PolarHBondContact O-N 3.3Å; D317-K381 IonicContact OD2-NZ 3.92Å
318D90Very high86.6Confident97 Ų9755.6 Ų55.652%0.51929%0.287SS..Hα-helixtrans-69.5-27.2-174.1-62.3-24.6000112R243 I321 Q322R243-D318 IonicContact NH2-OD1 3.56Å; R243-D318 PolarHBondContact NH2-OD1 3.36Å; D318-I321 PolarHBondContact O-N 3.21Å; D318-Q322 WeakPolarHBondContact O-CB 2.72Å; D318-Q322 VanDerWaalsContact O-CG 3.24Å; D318-Q322 WeakPolarHBondContact O-CG 3.34Å; D318-Q322 PolarHBondContact O-N 3.24Å
319E91.9Very high87Confident131 Ų13153.2 Ų53.261%0.61227%0.274SS*.Hα-helixtrans-65.4-47.3173.3-175.5178.517500110.8D317 I321 Q322 N323D317-E319 VanDerWaalsContact C-N 3.26Å; D317-E319 PolarHBondContact O-N 3.13Å; E319-I321 VanDerWaalsContact C-N 3.29Å; E319-I321 PolarHBondContact O-N 2.64Å; E319-Q322 PolarHBondContact O-N 3.4Å; E319-N323 WeakPolarHBondContact O-CB 3.3Å; E319-N323 VanDerWaalsContact O-CG 3.24Å; E319-N323 PolarHBondContact O-N 3.1Å; E319-N323 PolarHBondContact O-ND2 3.13Å
320T91.1Very high87.2Confident27 Ų2759.8 Ų59.817%0.16630%0.302CS..Hα-helixtrans-58.9-42.8175.1-60.80000111.3I312 D317 N323 A324I312-T320 HydrophobicContact CG1-CG2 4.48Å; D317-T320 PolarHBondContact O-N 3.27Å; D317-T320 WeakPolarHBondContact OD1-CB 3.05Å; D317-T320 PolarHBondContact OD1-N 3.06Å; D317-T320 PolarHBondContact OD1-OG1 2.94Å; T320-N323 PolarHBondContact O-N 3.39Å; T320-A324 PolarHBondContact O-N 2.69Å
321I90.6Very high86.6Confident20 Ų2064 Ų6410%0.10332%0.323CS..Hα-helixtrans-62.5-49176.2-74.4-174.8000111.5L264 F265 I312 D317 D318 E319 N323 A324 L325L264-I321 HydrophobicContact CD1-CG2 3.72Å; F265-I321 HydrophobicContact CZ-CD1 4.2Å; I312-I321 HydrophobicContact CG2-CG1 4.22Å; D317-I321 WeakPolarHBondContact O-CG1 2.73Å; D317-I321 PolarHBondContact O-N 3.3Å; D318-I321 PolarHBondContact O-N 3.21Å; E319-I321 VanDerWaalsContact C-N 3.29Å; E319-I321 PolarHBondContact O-N 2.64Å; I321-N323 VanDerWaalsContact C-N 3.31Å; I321-N323 PolarHBondContact O-N 3.3Å; I321-A324 PolarHBondContact O-N 3.01Å; I321-L325 HydrophobicContact CG2-CD1 4Å; I321-L325 HydrophobicContact CG2-CG 4.47Å; I321-L325 WeakPolarHBondContact O-CG 2.91Å; I321-L325 PolarHBondContact O-N 2.72Å
322Q90.9Very high85.3Confident106 Ų10659.8 Ų59.850%0.49531%0.305SS..Hα-helixtrans-62.3-40.2179.4-75.6179.51300111.8D318 E319 L325 R326D318-Q322 WeakPolarHBondContact O-CB 2.72Å; D318-Q322 VanDerWaalsContact O-CG 3.24Å; D318-Q322 WeakPolarHBondContact O-CG 3.34Å; D318-Q322 PolarHBondContact O-N 3.24Å; E319-Q322 PolarHBondContact O-N 3.4Å; Q322-L325 PolarHBondContact O-N 3.4Å; Q322-R326 VanDerWaalsContact O-CG 3.32Å; Q322-R326 WeakPolarHBondContact O-CG 3.29Å; Q322-R326 PolarHBondContact O-N 3.24Å
323N90.8Very high83.4Confident61 Ų6167.4 Ų67.433%0.32635%0.346SS..Hα-helixtrans-62.7-44.2176.7-72.9-24.5000111E319 T320 I321 R326 E327E319-N323 WeakPolarHBondContact O-CB 3.3Å; E319-N323 VanDerWaalsContact O-CG 3.24Å; E319-N323 PolarHBondContact O-N 3.1Å; E319-N323 PolarHBondContact O-ND2 3.13Å; T320-N323 PolarHBondContact O-N 3.39Å; I321-N323 VanDerWaalsContact C-N 3.31Å; I321-N323 PolarHBondContact O-N 3.3Å; N323-R326 PolarHBondContact O-N 3.1Å; N323-R326 PolarHBondContact OD1-NH1 3.03Å; N323-E327 WeakPolarHBondContact O-CG 3.47Å; N323-E327 PolarHBondContact O-N 2.88Å
324A88.4Confident81.3Confident15 Ų1567.8 Ų67.812%0.12435%0.349CS..Hα-helixtrans-66.5-38.1176.700000113.5L264 P310 I312 T320 I321 R326 E327 L328L264-A324 HydrophobicContact CD2-CB 4.3Å; P310-A324 HydrophobicContact CB-CB 4.09Å; P310-A324 HydrophobicContact CG-CB 4.36Å; I312-A324 HydrophobicContact CD1-CB 3.1Å; I312-A324 HydrophobicContact CG1-CB 4.15Å; T320-A324 PolarHBondContact O-N 2.69Å; I321-A324 PolarHBondContact O-N 3.01Å; A324-R326 VanDerWaalsContact C-N 3.32Å; A324-R326 PolarHBondContact O-N 2.98Å; A324-E327 PolarHBondContact O-N 3.3Å; A324-L328 WeakPolarHBondContact O-CB 3.31Å; A324-L328 WeakPolarHBondContact O-CG 3.32Å; A324-L328 PolarHBondContact O-N 2.84Å
325L88.4Confident79Confident22 Ų2273.7 Ų73.712%0.11538%0.38CS..Hα-helixtrans-63.1-38.9173.1-73.3173000111.6E260 L264 I321 Q322 L328 N329E260-L325 HydrophobicContact CB-CD2 4.32Å; E260-L325 HydrophobicContact CG-CD1 4.28Å; E260-L325 HydrophobicContact CG-CD2 4.26Å; L264-L325 HydrophobicContact CD1-CD1 4.28Å; L264-L325 HydrophobicContact CD1-CD2 3.91Å; L264-L325 HydrophobicContact CD1-CG 4.02Å; L264-L325 HydrophobicContact CD2-CD2 3.84Å; L264-L325 HydrophobicContact CD2-CG 4.12Å; L264-L325 HydrophobicContact CG-CD2 3.87Å; L264-L325 HydrophobicContact CG-CG 4.38Å; I321-L325 HydrophobicContact CG2-CD1 4Å; I321-L325 HydrophobicContact CG2-CG 4.47Å; I321-L325 WeakPolarHBondContact O-CG 2.91Å; I321-L325 PolarHBondContact O-N 2.72Å; Q322-L325 PolarHBondContact O-N 3.4Å; L325-L328 PolarHBondContact O-N 2.8Å; L325-N329 WeakPolarHBondContact O-CB 3.42Å; L325-N329 VanDerWaalsContact O-CG 3.26Å; L325-N329 PolarHBondContact O-N 3.05Å; L325-N329 PolarHBondContact O-ND2 3.14Å
326R87.5Confident76.9Confident127 Ų12775.7 Ų75.748%0.47939%0.389SS..Hα-helixtrans-63.9-42.4174.1-72.4-179.2-137.5145.85.9111.9Q322 N323 A324 N329 K330Q322-R326 VanDerWaalsContact O-CG 3.32Å; Q322-R326 WeakPolarHBondContact O-CG 3.29Å; Q322-R326 PolarHBondContact O-N 3.24Å; N323-R326 PolarHBondContact O-N 3.1Å; N323-R326 PolarHBondContact OD1-NH1 3.03Å; A324-R326 VanDerWaalsContact C-N 3.32Å; A324-R326 PolarHBondContact O-N 2.98Å; R326-N329 PolarHBondContact O-N 3.1Å; R326-K330 WeakPolarHBondContact O-CG 3.29Å; R326-K330 PolarHBondContact O-N 3.35Å
327E84.7Confident74.6Confident103 Ų10377.8 Ų77.848%0.48140%0.402SS..Hα-helixtrans-65.4-43.9176.8-66.9-52.6121.300111.7N323 A324 N329 K330 D331N323-E327 WeakPolarHBondContact O-CG 3.47Å; N323-E327 PolarHBondContact O-N 2.88Å; A324-E327 PolarHBondContact O-N 3.3Å; E327-N329 PolarHBondContact O-N 3.46Å; E327-K330 PolarHBondContact O-N 2.83Å; E327-K330 VanDerWaalsContact O-N 3.09Å; E327-K330 IonicContact OE1-NZ 3.4Å; E327-K330 PolarHBondContact OE1-NZ 3.27Å; E327-K330 IonicContact OE2-NZ 2.7Å; E327-D331 PolarHBondContact O-N 2.86Å
328L81.7Confident72.3Confident30 Ų3080 Ų8016%0.15742%0.419CS..Hα-helixtrans-60-35.5174.1-74171.7000112.5L263 L264 P310 A324 L325L263-L328 HydrophobicContact CB-CD1 4.26Å; L264-L328 HydrophobicContact CD2-CD1 4.01Å; P310-L328 HydrophobicContact CG-CD1 4.12Å; A324-L328 WeakPolarHBondContact O-CB 3.31Å; A324-L328 WeakPolarHBondContact O-CG 3.32Å; A324-L328 PolarHBondContact O-N 2.84Å; L325-L328 PolarHBondContact O-N 2.8Å
329N78.9Confident70.3Confident91 Ų9178.7 Ų78.749%0.48742%0.417SS..Hα-helixtrans-75.2-24.4177-75.6-28.7000113.4L325 R326 E327 S332L325-N329 WeakPolarHBondContact O-CB 3.42Å; L325-N329 VanDerWaalsContact O-CG 3.26Å; L325-N329 PolarHBondContact O-N 3.05Å; L325-N329 PolarHBondContact O-ND2 3.14Å; R326-N329 PolarHBondContact O-N 3.1Å; E327-N329 PolarHBondContact O-N 3.46Å; N329-S332 VanDerWaalsContact CA-OG 3.29Å; N329-S332 WeakPolarHBondContact CA-OG 3.43Å; N329-S332 VanDerWaalsContact O-CB 3.29Å; N329-S332 WeakPolarHBondContact O-CB 3.34Å; N329-S332 PolarHBondContact O-N 3.37Å; N329-S332 PolarHBondContact O-OG 2.9Å
330K74.5Confident68.1Low145 Ų14573.3 Ų73.363%0.6339%0.392SS*.Hα-helixtrans-72-30.2175.4-75.1172.1-175170.40112.5R326 E327 S332R326-K330 WeakPolarHBondContact O-CG 3.29Å; R326-K330 PolarHBondContact O-N 3.35Å; E327-K330 PolarHBondContact O-N 2.83Å; E327-K330 VanDerWaalsContact O-N 3.09Å; E327-K330 IonicContact OE1-NZ 3.4Å; E327-K330 PolarHBondContact OE1-NZ 3.27Å; E327-K330 IonicContact OE2-NZ 2.7Å; K330-S332 PolarHBondContact O-N 3.16Å
331D62.1Low65.7Low120 Ų12076.8 Ų76.864%0.64241%0.409SS*.THydrogen-bonded Turntrans-77.95.1177.6-72.2-19.4000113.6E327 D333 S334E327-D331 PolarHBondContact O-N 2.86Å; D331-D333 PolarHBondContact O-N 3.09Å; D331-S334 PolarHBondContact O-N 3.09Å; D331-S334 PolarHBondContact O-OG 3.32Å
332S51.8Low63.3Low51 Ų5181.8 Ų81.836%0.35744%0.436SS..THydrogen-bonded Turntrans-76.224.2-172.3-44.10000116.5N329 K330 S334N329-S332 VanDerWaalsContact CA-OG 3.29Å; N329-S332 WeakPolarHBondContact CA-OG 3.43Å; N329-S332 VanDerWaalsContact O-CB 3.29Å; N329-S332 WeakPolarHBondContact O-CB 3.34Å; N329-S332 PolarHBondContact O-N 3.37Å; N329-S332 PolarHBondContact O-OG 2.9Å; K330-S332 PolarHBondContact O-N 3.16Å; S332-S334 PolarHBondContact O-N 3.26Å
333D48.2Very low61.1Low180 Ų18080 Ų8096%0.96343%0.429SS*.THydrogen-bonded Turntrans-73.4-2.6155.5-96.4-15.2000111.4D331D331-D333 PolarHBondContact O-N 3.09Å
334S45.7Very low58.8Low63 Ų6381.3 Ų81.344%0.44143%0.433SS..SBendtrans-106.6135.6168.865.10000111.2D331 S332 L336D331-S334 PolarHBondContact O-N 3.09Å; D331-S334 PolarHBondContact O-OG 3.32Å; S332-S334 PolarHBondContact O-N 3.26Å; S334-L336 PolarHBondContact O-N 3.44Å
335N44.6Very low56.2Low130 Ų13087.7 Ų87.770%0.69547%0.465SS*.SBendtrans-60.935.8-173.8-75.8-42.5000116.9
336L48Very low53.3Low49 Ų4991.5 Ų91.526%0.25749%0.49SS..Hα-helixtrans-68.6-41.3-171.8-13784.7000113.2L263 S334L263-L336 HydrophobicContact CD2-CD2 4.3Å; S334-L336 PolarHBondContact O-N 3.44Å
337T43.8Very low50.6Low51 Ų5190 Ų9031%0.31350%0.499SS..Hα-helixtrans-81.4-32.7-17835.80000113.2S339 L341T337-S339 PolarHBondContact O-N 3.44Å; T337-L341 PolarHBondContact O-N 3.15Å
338S44.5Very low47.8Very low62 Ų6293.9 Ų93.943%0.43452%0.517SS..Hα-helixtrans-69.5-31.9-177.8-580000113.5L342S338-L342 PolarHBondContact O-N 3.3Å; S338-L342 VanDerWaalsContact O-N 3.16Å
339S48.8Very low45.3Very low68 Ų6898.5 Ų98.548%0.47655%0.552SS.*Hα-helixtrans-72.7-34.9-178.8-66.80000113.2T337 D343T337-S339 PolarHBondContact O-N 3.44Å; S339-D343 PolarHBondContact O-N 3.06Å
340L44.6Very low42.8Very low19 Ų19103.4 Ų103.410%0.09957%0.569CS.*Hα-helixtrans-71.9-34.7176.8-75.8171.3000112.3T259 L298 Q344T259-L340 HydrophobicContact CG2-CD1 4.12Å; L298-L340 HydrophobicContact CD2-CD2 4.45Å; L340-Q344 WeakPolarHBondContact O-CG 3.41Å; L340-Q344 PolarHBondContact O-N 3Å
341L40.7Very low40.5Very low99 Ų99104.5 Ų104.552%0.51858%0.581SS.*Hα-helixtrans-73.2-30.2176.5-70.3172.6000112.7T337T337-L341 PolarHBondContact O-N 3.15Å
342L41.5Very low38.8Very low126 Ų126103.1 Ų103.166%0.6658%0.581SS**Hα-helixtrans-69.2-39175.6-111.185.6000112.6S338 Q344 N345S338-L342 PolarHBondContact O-N 3.3Å; S338-L342 VanDerWaalsContact O-N 3.16Å; L342-Q344 VanDerWaalsContact C-N 3.32Å; L342-Q344 PolarHBondContact O-N 3.45Å; L342-N345 PolarHBondContact O-N 2.83Å
343D43.5Very low37.7Very low68 Ų68106.4 Ų106.436%0.36460%0.604SS.*Hα-helixtrans-76.6-15.1-179-97.311.2000113.4K301 S339 N345K301-D343 IonicContact NZ-OD2 2.99Å; K301-D343 PolarHBondContact NZ-OD2 2.95Å; S339-D343 PolarHBondContact O-N 3.06Å; D343-N345 PolarHBondContact O-N 3.49Å
344Q42.5Very low36.7Very low88 Ų88105.7 Ų105.741%0.41159%0.593SS.*THydrogen-bonded Turntrans-69-21.4171.4-74.1-17619.300112.6L340 L342L340-Q344 WeakPolarHBondContact O-CG 3.41Å; L340-Q344 PolarHBondContact O-N 3Å; L342-Q344 VanDerWaalsContact C-N 3.32Å; L342-Q344 PolarHBondContact O-N 3.45Å
345N34Very low35.9Very low149 Ų149107.5 Ų107.580%0.79761%0.612SS**SBendtrans-110.93.4-174.5-75.7-28.2000115.3L342 D343L342-N345 PolarHBondContact O-N 2.83Å; D343-N345 PolarHBondContact O-N 3.49Å
346T28.7Very low35Very low102 Ų102105.1 Ų105.163%0.62661%0.605SS**  trans-98.5106.6177.637.30000111.8
347S29.7Very low34Very low96 Ų96108.8 Ų108.867%0.67163%0.625SS**  trans-66.3138.7168-175.40000111.3
348E26.9Very low33.5Very low185 Ų185112 Ų11286%0.86463%0.632SS**  trans50.7103.1152.1-67.1174.8177.900118.3
349S28.5Very low32.7Very low126 Ų126115 Ų11588%0.88165%0.648SS**  trans-136.8142.814362.90000111.9
350K27.3Very low31.6Very low194 Ų194115.6 Ų115.684%0.84365%0.652SS**  trans-57.3145.6-160.7-70.1165.7173.5177.50115.9S352K350-S352 PolarHBondContact O-N 2.9Å
351D25.1Very low30.6Very low168 Ų168122.5 Ų122.590%0.89868%0.682SS**  trans10101.6145.4-64-32.6000115.5
352S27.3Very low29.8Very low92 Ų92125.2 Ų125.264%0.64370%0.695SS**  trans-130.2115152.564.40000108.9K350 F354K350-S352 PolarHBondContact O-N 2.9Å; S352-F354 VanDerWaalsContact C-N 3.3Å; S352-F354 PolarHBondContact O-N 3.2Å
353S28.6Very low29Very low120 Ų120123.9 Ų123.984%0.83969%0.694SS**  trans-68.389.2169.161.30000108.6
354F26.1Very low28Very low165 Ų165129.1 Ų129.172%0.72472%0.718SS**  trans-116.772.2164.4-85.1-82.9000108.4S352S352-F354 VanDerWaalsContact C-N 3.3Å; S352-F354 PolarHBondContact O-N 3.2Å
355A28.5Very low27Very low101 Ų101134.7 Ų134.784%0.83574%0.741SS**  trans-103.374.316300000107.8
356S27.5Very low26.6Very low79 Ų79133.9 Ų133.955%0.55273%0.727SS**SBendtrans-167140.1157.264.80000109
357D26.2Very low26.3Very low127 Ų127139.4 Ų139.468%0.67974%0.736SS**  trans88.938.6167.9-52.7-18.8000119
358Y32.6Very low26Very low119 Ų119139.9 Ų139.947%0.46774%0.74SS.*THydrogen-bonded Turntrans-78.6-3.1160.2-71.2-74.7000114
359T28.3Very low26.1Very low124 Ų124134.5 Ų134.576%0.76172%0.723SS**THydrogen-bonded Turntrans-90.3-1.5-173.252.20000115
360S25.5Very low25.8Very low81 Ų81132.2 Ų132.257%0.56671%0.707SS**SBendtrans-958.5-169.686.90000116.7
361F24.4Very low25.9Very low164 Ų164126.5 Ų126.572%0.71969%0.69SS**  trans-128.582.5175.1-70-77.9000110.6P363F361-P363 WeakPolarHBondContact O-CD 3.25Å
362I23.2Very low25.9Very low155 Ų155120.3 Ų120.380%0.79567%0.666SS**  trans-64.1108.2160-60.3171.6000106.4M364I362-M364 PolarHBondContact O-N 3.11Å; I362-M364 VanDerWaalsContact O-N 3.09Å
363P24.8Very low26.3Very low99 Ų99117.5 Ų117.564%0.64365%0.646SS**  trans-68.3115.8175-14.332.3000107.5F361 K365F361-P363 WeakPolarHBondContact O-CD 3.25Å; P363-K365 PolarHBondContact O-N 3.03Å; P363-K365 VanDerWaalsContact O-N 3.12Å
364M22.9Very low26.5Very low177 Ų177114 Ų11487%0.87262%0.619SS**  trans-46118.6172-75172.267.300110.2I362 R366I362-M364 PolarHBondContact O-N 3.11Å; I362-M364 VanDerWaalsContact O-N 3.09Å; M364-R366 PolarHBondContact O-N 3.1Å
365K21.5Very low26.7Very low205 Ų205109.7 Ų109.789%0.89160%0.599SS**  trans19.170.1153.4-70.3-179.5175.2178.30114.2P363 R367P363-K365 PolarHBondContact O-N 3.03Å; P363-K365 VanDerWaalsContact O-N 3.12Å; K365-R367 VanDerWaalsContact C-N 3.34Å; K365-R367 PolarHBondContact O-N 2.72Å; K365-R367 VanDerWaalsContact O-N 3.11Å
366R25.4Very low27Very low133 Ų133109.4 Ų109.450%0.50259%0.587SS.*  trans-66.6109.3146.7-87-173.5175.6-174.7-8.1104.2M364 S368M364-R366 PolarHBondContact O-N 3.1Å; R366-S368 PolarHBondContact O-N 2.98Å
367R21.1Very low27.3Very low217 Ų217107.5 Ų107.582%0.81957%0.57SS**  trans-43121171-70.8-179.3177.5-158.8-1.5106.4K365 S369K365-R367 VanDerWaalsContact C-N 3.34Å; K365-R367 PolarHBondContact O-N 2.72Å; K365-R367 VanDerWaalsContact O-N 3.11Å; R367-S369 PolarHBondContact O-N 3.36Å
368S25.1Very low27.9Very low107 Ų107101.6 Ų101.675%0.74854%0.539SS*.THydrogen-bonded Turntrans-28.2109.6165.1470000108.3R366 S370R366-S368 PolarHBondContact O-N 2.98Å; S368-S370 PolarHBondContact O-N 2.89Å
369S27.6Very low27.8Very low71 Ų71103.3 Ų103.350%0.49755%0.549SS..THydrogen-bonded Turntrans1793.2177.252.90000113.6R367 P371R367-S369 PolarHBondContact O-N 3.36Å; S369-P371 VanDerWaalsContact O-CD 3.28Å; S369-P371 WeakPolarHBondContact O-CD 3.21Å
370S22.7Very low28.2Very low79 Ų79101 Ų10155%0.55254%0.537SS*.  trans-46118.4173.6-1570000108.3S368 G372S368-S370 PolarHBondContact O-N 2.89Å; S370-G372 PolarHBondContact O-N 2.98Å
371P29.2Very low28.5Very low74 Ų74102.3 Ų102.348%0.48153%0.533SS..THydrogen-bonded Turntrans-55.1-22.8-175.6-23.429.5000112.3S369 S373 V374 Y375S369-P371 VanDerWaalsContact O-CD 3.28Å; S369-P371 WeakPolarHBondContact O-CD 3.21Å; P371-S373 PolarHBondContact O-N 2.64Å; P371-S373 VanDerWaalsContact O-N 3.12Å; P371-V374 PolarHBondContact O-N 2.81Å; P371-Y375 VanDerWaalsContact C-CD2 3.5Å; P371-Y375 HydrophobicContact CB-CD2 3.34Å; P371-Y375 HydrophobicContact CB-CE2 3.26Å; P371-Y375 HydrophobicContact CB-CG 4.22Å; P371-Y375 HydrophobicContact CG-CE2 4.44Å; P371-Y375 VanDerWaalsContact O-CB 3.26Å; P371-Y375 WeakPolarHBondContact O-CB 3.42Å; P371-Y375 WeakPolarHBondContact O-CD2 2.91Å; P371-Y375 PolarHBondContact O-N 3.38Å
372G25Very low28.9Very low38 Ų3898.4 Ų98.439%0.39252%0.519SS..Hα-helixtrans-41.6-47.9-178.800000117S370 Y375 T376S370-G372 PolarHBondContact O-N 2.98Å; G372-Y375 PolarHBondContact O-N 3.15Å; G372-T376 WeakPolarHBondContact O-CB 3.49Å; G372-T376 VanDerWaalsContact O-CG2 3.29Å; G372-T376 WeakPolarHBondContact O-CG2 3.44Å; G372-T376 PolarHBondContact O-N 2.63Å; G372-T376 PolarHBondContact O-OG1 2.99Å
373S37.1Very low29.1Very low32 Ų32100.7 Ų100.722%0.22452%0.518CS..Hα-helixtrans-71.5-40.9-175.4167.40000112.8P371 Y375 T376P371-S373 PolarHBondContact O-N 2.64Å; P371-S373 VanDerWaalsContact O-N 3.12Å; S373-Y375 VanDerWaalsContact C-N 3.33Å; S373-T376 PolarHBondContact O-OG1 2.8Å
374V31.6Very low29.3Very low48 Ų48100.8 Ų100.829%0.29152%0.521SS..Hα-helixtrans-74-30.4174.8-176.80000110.6L207 P371 S378L207-V374 HydrophobicContact CD2-CG1 3.66Å; P371-V374 PolarHBondContact O-N 2.81Å; V374-S378 PolarHBondContact O-N 3.48Å; V374-S378 VanDerWaalsContact O-N 3.1Å; V374-S378 PolarHBondContact O-OG 2.9Å
375Y30.4Very low29.3Very low74 Ų7497.1 Ų97.129%0.2951%0.512SS..Hα-helixtrans-72.9-35.9177.8-87.7-110.2000113.4T208 P371 G372 S373 D377 S378 K379T208-Y375 VanDerWaalsContact C-OH 3.26Å; T208-Y375 WeakPolarHBondContact CA-OH 3.12Å; T208-Y375 WeakPolarHBondContact CB-OH 3.47Å; T208-Y375 PolarHBondContact N-OH 2.95Å; T208-Y375 PolarHBondContact O-OH 2.72Å; P371-Y375 VanDerWaalsContact C-CD2 3.5Å; P371-Y375 HydrophobicContact CB-CD2 3.34Å; P371-Y375 HydrophobicContact CB-CE2 3.26Å; P371-Y375 HydrophobicContact CB-CG 4.22Å; P371-Y375 HydrophobicContact CG-CE2 4.44Å; P371-Y375 VanDerWaalsContact O-CB 3.26Å; P371-Y375 WeakPolarHBondContact O-CB 3.42Å; P371-Y375 WeakPolarHBondContact O-CD2 2.91Å; P371-Y375 PolarHBondContact O-N 3.38Å; G372-Y375 PolarHBondContact O-N 3.15Å; S373-Y375 VanDerWaalsContact C-N 3.33Å; Y375-D377 VanDerWaalsContact C-N 3.31Å; Y375-S378 PolarHBondContact O-N 3.38Å; Y375-K379 PolarHBondContact O-N 3.09Å
376T35.1Very low29.5Very low94 Ų9495.1 Ų95.158%0.57751%0.506SS*.Hα-helixtrans-65.7-36.5175.946.20000111.4G372 S373G372-T376 WeakPolarHBondContact O-CB 3.49Å; G372-T376 VanDerWaalsContact O-CG2 3.29Å; G372-T376 WeakPolarHBondContact O-CG2 3.44Å; G372-T376 PolarHBondContact O-N 2.63Å; G372-T376 PolarHBondContact O-OG1 2.99Å; S373-T376 PolarHBondContact O-OG1 2.8Å
377D34.3Very low29.6Very low40 Ų4094 Ų9421%0.21452%0.517CS..Hα-helixtrans-73.2-32.4176.3-66.6-11.4000112.4Y375 S380 K381Y375-D377 VanDerWaalsContact C-N 3.31Å; D377-S380 PolarHBondContact O-OG 2.75Å; D377-K381 PolarHBondContact O-N 3.18Å
378S37.8Very low29.6Very low2 Ų293.5 Ų93.51%0.01452%0.521CS..Hα-helixtrans-68.6-42.2178.6-58.90000111.4V374 Y375 S380 K381 L382V374-S378 PolarHBondContact O-N 3.48Å; V374-S378 VanDerWaalsContact O-N 3.1Å; V374-S378 PolarHBondContact O-OG 2.9Å; Y375-S378 PolarHBondContact O-N 3.38Å; S378-S380 VanDerWaalsContact C-N 3.34Å; S378-S380 PolarHBondContact O-N 3.38Å; S378-K381 PolarHBondContact O-N 3.17Å; S378-L382 VanDerWaalsContact O-CB 3.31Å; S378-L382 WeakPolarHBondContact O-CB 3.46Å; S378-L382 VanDerWaalsContact O-CD1 3.25Å; S378-L382 WeakPolarHBondContact O-CD1 3.33Å; S378-L382 PolarHBondContact O-N 3.03Å
379K30.9Very low29.6Very low156 Ų15693.4 Ų93.468%0.67852%0.515SS*.Hα-helixtrans-68.6-28.6179-84.6-171.2176.8178.90113.8Y375 R383Y375-K379 PolarHBondContact O-N 3.09Å; K379-R383 WeakPolarHBondContact O-CB 3.48Å; K379-R383 PolarHBondContact O-N 3.25Å
380S35.8Very low29.3Very low74 Ų7495.7 Ų95.752%0.51753%0.526SS..Hα-helixtrans-74.7-37.4176.258.70000111.8D377 S378D377-S380 PolarHBondContact O-OG 2.75Å; S378-S380 VanDerWaalsContact C-N 3.34Å; S378-S380 PolarHBondContact O-N 3.38Å
381K33.5Very low29.3Very low110 Ų110100.7 Ų100.748%0.47854%0.539SS..Hα-helixtrans-83.7-31.6179.6-66.3-178-176.7171.60114.7D317 D377 S378 R383 S384D317-K381 IonicContact OD2-NZ 3.92Å; D377-K381 PolarHBondContact O-N 3.18Å; S378-K381 PolarHBondContact O-N 3.17Å; K381-R383 VanDerWaalsContact C-N 3.34Å; K381-S384 PolarHBondContact O-OG 2.98Å
382L31.6Very low29.1Very low82 Ų82104.7 Ų104.743%0.42956%0.556SS.*Hα-helixtrans-73.2-23173.6-89122.1000113.1L209 S378L209-L382 HydrophobicContact CD1-CD1 3.95Å; S378-L382 VanDerWaalsContact O-CB 3.31Å; S378-L382 WeakPolarHBondContact O-CB 3.46Å; S378-L382 VanDerWaalsContact O-CD1 3.25Å; S378-L382 WeakPolarHBondContact O-CD1 3.33Å; S378-L382 PolarHBondContact O-N 3.03Å
383R28.7Very low28.9Very low202 Ų202109.8 Ų109.876%0.76257%0.574SS**THydrogen-bonded Turntrans-78.5-16177.1-92.4-174.5170.2-164.6-3.9114.4K379 K381 S385K379-R383 WeakPolarHBondContact O-CB 3.48Å; K379-R383 PolarHBondContact O-N 3.25Å; K381-R383 VanDerWaalsContact C-N 3.34Å; R383-S385 PolarHBondContact O-N 3.04Å
384S27.4Very low28.3Very low102 Ų102114 Ų11471%0.71360%0.599SS**THydrogen-bonded Turntrans-79.61.5177.236.60000114.1K381K381-S384 PolarHBondContact O-OG 2.98Å
385S24.6Very low27.8Very low99 Ų99117 Ų11769%0.69262%0.622SS**  trans-111.650.7178.4-46.50000111R383R383-S385 PolarHBondContact O-N 3.04Å
386E25.7Very low28Very low163 Ų163119.4 Ų119.476%0.76265%0.646SS**  trans-86130.8167-73.2-151.6175.100110.4F388E386-F388 PolarHBondContact O-N 3.26Å
387P25.9Very low27.3Very low111 Ų111119 Ų11972%0.72165%0.652SS**  trans-66.4136-179.9-6.118.3000110.5V389P387-V389 PolarHBondContact O-N 3.07Å
388F22.6Very low26.7Very low205 Ų205125.7 Ų125.790%0.89968%0.683SS**  trans-51.495.3166.4-108.2-100.6000110.3E386E386-F388 PolarHBondContact O-N 3.26Å
389V23.4Very low25.8Very low105 Ų105132.2 Ų132.264%0.63672%0.722SS**  trans-113.194162.9-175.60000107.3P387 F391P387-V389 PolarHBondContact O-N 3.07Å; V389-F391 PolarHBondContact O-N 3.42Å
390T22.3Very low25.4Very low119 Ų119132.4 Ų132.473%0.7373%0.73SS**  trans-54.9105166.729.40000110.3N392T390-N392 PolarHBondContact O-N 3.47Å
391F21.9Very low24.6Very low185 Ų185136.6 Ų136.681%0.81174%0.742SS**  trans-78.892.5162.8-85.3-87.8000109.2V389V389-F391 PolarHBondContact O-N 3.42Å
392N25.5Very low24.1Very low158 Ų158138.5 Ų138.585%0.84576%0.757SS**  trans-91118.1154.7-94.2-9.8000108.8T390T390-N392 PolarHBondContact O-N 3.47Å
393N21.5Very low23.6Very low144 Ų144140.8 Ų140.877%0.7778%0.779SS**  trans-46.7136.7164.2-63-44.4000110.3
394T23.1Very low23.3Very low122 Ų122138.9 Ų138.975%0.74878%0.778SS**  163.6115.791.7-29.10000109.4
395S22Very low23.1Very low110 Ų110139 Ų13977%0.76978%0.779SS**  trans62.4154.3145.553.70000122.8
396P33.8Very low23.2Very low124 Ų124139.9 Ų139.981%0.80579%0.785SS**  trans-116.7151.8-15038.7-25.1000114.7
397A21.5Very low23Very low85 Ų85140 Ų14070%0.70279%0.791SS**  trans-177.4130.8148.300000111.6
398E21.2Very low23Very low182 Ų182140.5 Ų140.585%0.8579%0.792SS**  trans62.798.7137.7-60.2172.8-176.200117.5
399V19.9Very low23Very low138 Ų138135.6 Ų135.684%0.83678%0.783SS**  47.397.396.1-1710000112.8
400D22.6Very low23Very low161 Ų161138.5 Ų138.586%0.86179%0.79SS**  trans-155.7144.1140.5-123.3-14.6000112.5
401E18.7Very low23.1Very low162 Ų162143.8 Ų143.876%0.75780%0.798SS**  trans-75.2163.6-178.1-65.3178.6144.500112.9
402N21.4Very low23.1Very low150 Ų150139 Ų13980%0.80279%0.788SS**  trans85.1104.8165.4-59.3-30.8000118.8
403C22.9Very low23.1Very low130 Ų130138.8 Ų138.888%0.87878%0.783SS**  -160.2141.6117.7-160.20000112.2
404H22.3Very low23.2Very low162 Ų162139.1 Ų139.175%0.7578%0.78SS**  trans-69.5143.5-173.5-77.6-86.3000115.2
405S22Very low23.3Very low105 Ų105140 Ų14073%0.73479%0.785SS**  trans47113.9139.160.20000119.9
406S27.1Very low23.7Very low117 Ų117138.9 Ų138.982%0.81877%0.771SS**  trans-141.8128.9135.843.90000110T408S406-T408 PolarHBondContact O-N 2.8Å
407N22.2Very low23.3Very low166 Ų166140.5 Ų140.589%0.88877%0.773SS**  trans-58.9120.1-176.2-65.8-30.1000111.1
408T25Very low23.6Very low120 Ų120140.3 Ų140.374%0.73677%0.771SS**  trans-123.8113.3153.4-53.60000105.8S406 Q410S406-T408 PolarHBondContact O-N 2.8Å; T408-Q410 VanDerWaalsContact C-N 3.29Å; T408-Q410 PolarHBondContact O-N 3.23Å
409S23.4Very low23.7Very low103 Ų103138.8 Ų138.872%0.7277%0.769SS**  trans-62.992.6175.555.60000108.5Y411S409-Y411 PolarHBondContact O-N 3.14Å
410Q23.3Very low24.2Very low165 Ų165139 Ų13977%0.77177%0.77SS**  trans-68.8109.9168.5-79.4175-41.600107.3T408 S412T408-Q410 VanDerWaalsContact C-N 3.29Å; T408-Q410 PolarHBondContact O-N 3.23Å; Q410-S412 PolarHBondContact O-N 3.34Å
411Y23.8Very low24.3Very low231 Ų231136.9 Ų136.991%0.90677%0.767SS**  trans-64.484.4157.9-86.9-89.9000107.5S409 M413S409-Y411 PolarHBondContact O-N 3.14Å; Y411-M413 PolarHBondContact O-N 2.73Å
412S21.9Very low24.7Very low85 Ų85137.1 Ų137.159%0.59477%0.773SS**  trans-72110.9169-63.90000107.8Q410 E414Q410-S412 PolarHBondContact O-N 3.34Å; S412-E414 PolarHBondContact O-N 3Å
413M25.4Very low24.8Very low152 Ų152138.8 Ų138.875%0.74978%0.776SS**  trans-71.186.6168-166.6-175.6-65.900106.9Y411 V415Y411-M413 PolarHBondContact O-N 2.73Å; M413-V415 PolarHBondContact O-N 3.23Å; M413-V415 VanDerWaalsContact O-N 3.15Å
414E22.9Very low25Very low151 Ų151139.8 Ų139.871%0.70677%0.773SS**  trans-66.4112173.6-71.3-179.1169.600108.7S412 D416S412-E414 PolarHBondContact O-N 3Å; E414-D416 VanDerWaalsContact C-N 3.28Å; E414-D416 PolarHBondContact O-N 2.52Å
415V26.6Very low25.2Very low142 Ų142135.2 Ų135.286%0.86177%0.77SS**  trans-69.989.7166.8-122.50000106.1M413 D417M413-V415 PolarHBondContact O-N 3.23Å; M413-V415 VanDerWaalsContact O-N 3.15Å; V415-D417 PolarHBondContact O-N 2.96Å
416D29.2Very low25.3Very low86 Ų86138.9 Ų138.946%0.4678%0.78SS.*  trans-73.4112.6178.6-96.1-17.3000110.6R156 E414 A418R156-D416 IonicContact CZ-OD2 3.91Å; R156-D416 IonicContact NH1-OD2 3.13Å; R156-D416 PolarHBondContact NH1-OD2 2.93Å; R156-D416 IonicContact NH2-OD2 3.91Å; R156-D416 PolarHBondContact NH2-OD2 3.15Å; E414-D416 VanDerWaalsContact C-N 3.28Å; E414-D416 PolarHBondContact O-N 2.52Å; D416-A418 PolarHBondContact O-N 3.39Å
417D25Very low25.2Very low158 Ų158139.5 Ų139.585%0.84577%0.774SS**  trans-6090.9160.8-75.2-39000109.8V415V415-D417 PolarHBondContact O-N 2.96Å
418A28.4Very low25.5Very low81 Ų81139.5 Ų139.567%0.66977%0.769SS**  trans-110.682.1162.200000108.7D416 T420D416-A418 PolarHBondContact O-N 3.39Å; A418-T420 PolarHBondContact O-N 3.37Å; A418-T420 VanDerWaalsContact O-N 3.12Å
419D24.5Very low25.5Very low149 Ų149139.2 Ų139.280%0.79776%0.763SS**THydrogen-bonded Turntrans-50.3105164.9-85.7-37.5000111.2
420T28.9Very low25.8Very low142 Ų142140.5 Ų140.587%0.87175%0.752SS**THydrogen-bonded Turntrans-174.95132.511.50000115.8A418A418-T420 PolarHBondContact O-N 3.37Å; A418-T420 VanDerWaalsContact O-N 3.12Å
421C26Very low26Very low117 Ų117133.7 Ų133.779%0.79172%0.723SS**SBendtrans-123.30.7-177.5-46.50000116.3
422N25.7Very low26.9Very low167 Ų167123.4 Ų123.489%0.89368%0.683SS**  trans-104.662.7-179.7-84.4-16.1000112.4
423Q25Very low27.9Very low186 Ų186119.9 Ų119.987%0.86966%0.657SS**  trans-108.169.3151.7-74.1-162.92.800108.8
424N27.3Very low28.6Very low150 Ų150113 Ų11380%0.80262%0.624SS**SBendtrans-150.2102.8155.8-87.6-34.5000106.7
425G25.8Very low29.1Very low66 Ų66106 Ų10668%0.6859%0.591SS**  trans-56.2153.6177.500000111.7N427G425-N427 VanDerWaalsContact C-N 3.34Å; G425-N427 PolarHBondContact O-N 2.91Å
426L23.6Very low29.3Very low183 Ų18399.5 Ų99.596%0.95855%0.551SS**  trans-1986.4168.8-64.2165.6000112.7
427N25.5Very low29.6Very low129 Ų12995.8 Ų95.869%0.6953%0.532SS*.  trans-101.8112.1177-140.6-4000105.9G425 N429G425-N427 VanDerWaalsContact C-N 3.34Å; G425-N427 PolarHBondContact O-N 2.91Å; N427-N429 PolarHBondContact O-N 3.01Å
428E27.6Very low29.8Very low167 Ų16794.1 Ų94.178%0.7852%0.517SS*.  trans-68.530.7-171.2-64.5-173.5143.300114.8R430E428-R430 PolarHBondContact O-N 3.12Å
429N25.5Very low29.8Very low113 Ų11392.2 Ų92.260%0.60450%0.496SS*.  trans-8481176.7-69.9-10.5000109.7N427N427-N429 PolarHBondContact O-N 3.01Å
430R29.2Very low30Very low130 Ų13091.6 Ų91.649%0.49149%0.488SS..  trans-77.7115.7173.2-67.7179.8178.7-174.15.2109.1P206 L207 E428P206-R430 HydrophobicContact CG-CB 4.29Å; L207-R430 PolarHBondContact O-NH1 3.41Å; L207-R430 VanDerWaalsContact O-NH1 3.17Å; E428-R430 PolarHBondContact O-N 3.12Å
431S28.9Very low30Very low23 Ų2387.6 Ų87.616%0.16147%0.469CS..  trans-69.7155.5-178.2177.70000114.2R93 Q94 S121R93-S431 WeakPolarHBondContact O-CB 2.71Å; R93-S431 PolarHBondContact O-OG 3.39Å; Q94-S431 WeakPolarHBondContact CA-OG 3.39Å; S121-S431 WeakPolarHBondContact CB-O 3.15Å; S121-S431 PolarHBondContact OG-O 2.96Å
432L41.3Very low30.2Very low15 Ų1585.6 Ų85.68%0.07945%0.451CS..  trans-145.5132.1170.8-60.9173.3000116.8S121 N125 P203 N493S121-L432 VanDerWaalsContact CB-CD2 3.49Å; S121-L432 VanDerWaalsContact O-CA 3.3Å; S121-L432 WeakPolarHBondContact O-CA 3.35Å; S121-L432 WeakPolarHBondContact O-CD2 3.5Å; N125-L432 HydrophobicContact CB-CD2 4.14Å; N125-L432 WeakPolarHBondContact ND2-CD1 3.46Å; N125-L432 WeakPolarHBondContact ND2-CD2 3.42Å; N125-L432 WeakPolarHBondContact ND2-CG 3.42Å; P203-L432 HydrophobicContact CB-CD1 4.12Å; P203-L432 HydrophobicContact CG-CD1 3.8Å; L432-N493 VanDerWaalsContact C-OD1 3.25Å; L432-N493 WeakPolarHBondContact CA-OD1 3.43Å; L432-N493 HydrophobicContact CB-CB 4.07Å; L432-N493 WeakPolarHBondContact CB-ND2 3.39Å; L432-N493 WeakPolarHBondContact CB-OD1 3.26Å; L432-N493 PolarHBondContact N-OD1 2.67Å; L432-N493 PolarHBondContact O-ND2 3.15Å; L432-N493 PolarHBondContact O-OD1 2.68Å
433K44Very low30.3Very low11 Ų1181.2 Ų81.25%0.04843%0.431CS..  trans52.2129.4130.8-48.8-134164.475.60125.9S121 Y122 F123 N125 D126S121-K433 VanDerWaalsContact O-CD 3.3Å; S121-K433 WeakPolarHBondContact O-CD 3.17Å; S121-K433 WeakPolarHBondContact O-CE 3.32Å; S121-K433 WeakPolarHBondContact O-CG 3.41Å; S121-K433 PolarHBondContact O-N 2.82Å; S121-K433 PolarHBondContact O-NZ 3.12Å; Y122-K433 WeakPolarHBondContact O-CD 3.37Å; Y122-K433 WeakPolarHBondContact O-CE 3.3Å; Y122-K433 VanDerWaalsContact O-CG 3.29Å; Y122-K433 WeakPolarHBondContact O-CG 3.35Å; F123-K433 VanDerWaalsContact CA-CE 3.47Å; N125-K433 VanDerWaalsContact C-CD 3.43Å; N125-K433 VanDerWaalsContact CA-NZ 3.35Å; N125-K433 HydrophobicContact CB-CD 3.35Å; N125-K433 HydrophobicContact CB-CG 3.97Å; N125-K433 PolarHBondContact OD1-NZ 3.16Å; D126-K433 HydrophobicContact CB-CD 4.12Å
434V39.4Very low30.2Very low7 Ų778.7 Ų78.74%0.04242%0.424CS..  trans-1.7118.5130.5-168.90000114.5E69 Y122E69-V434 HydrophobicContact CG-CG1 4.15Å; Y122-V434 HydrophobicContact CD1-CG2 3.55Å; Y122-V434 HydrophobicContact CD2-CG2 3.98Å; Y122-V434 HydrophobicContact CE1-CB 4.49Å; Y122-V434 HydrophobicContact CE1-CG2 3.07Å; Y122-V434 HydrophobicContact CE2-CB 4.35Å; Y122-V434 HydrophobicContact CE2-CG2 3.51Å; Y122-V434 HydrophobicContact CG-CG2 4.01Å; Y122-V434 WeakPolarHBondContact O-CG2 3.41Å; Y122-V434 WeakPolarHBondContact OH-CG2 3.23Å
435V33.2Very low30.1Very low3 Ų376.8 Ų76.82%0.01842%0.418CS..  trans17798.8137.4165.30000104.1Y482 G486V435-Y482 HydrophobicContact CG1-CD1 4.05Å; V435-Y482 HydrophobicContact CG1-CD2 4.45Å; V435-Y482 HydrophobicContact CG1-CE1 3.63Å; V435-Y482 HydrophobicContact CG1-CE2 4.09Å; V435-Y482 HydrophobicContact CG1-CG 4.43Å; V435-Y482 WeakPolarHBondContact CG1-O 3.47Å; V435-Y482 HydrophobicContact CG2-CE2 4.48Å; V435-G486 VanDerWaalsContact CG1-CA 3.43Å; V435-G486 VanDerWaalsContact CG2-CA 3.48Å
436L30.7Very low30Very low6 Ų678.6 Ų78.63%0.03142%0.42CS..  trans-117.9105.8169.3-47176.6000108.3H42 I68 E69 Y482 L495 Y535H42-L436 HydrophobicContact CB-CD1 4.49Å; I68-L436 HydrophobicContact CD1-CB 4.16Å; I68-L436 HydrophobicContact CG1-CB 4.23Å; E69-L436 HydrophobicContact CB-CB 3.91Å; E69-L436 HydrophobicContact CB-CD1 4.16Å; E69-L436 HydrophobicContact CB-CG 4.01Å; E69-L436 HydrophobicContact CG-CB 4.29Å; L436-Y482 PolarHBondContact O-OH 2.73Å; L436-L495 HydrophobicContact CD2-CD1 3.5Å; L436-L495 HydrophobicContact CD2-CD2 3.57Å; L436-L495 HydrophobicContact CD2-CG 4.18Å; L436-Y535 HydrophobicContact CB-CE2 4.21Å; L436-Y535 WeakPolarHBondContact CB-OH 3.32Å; L436-Y535 HydrophobicContact CD1-CE1 4.18Å; L436-Y535 HydrophobicContact CD1-CE2 3.91Å; L436-Y535 HydrophobicContact CD2-CE1 3.95Å; L436-Y535 HydrophobicContact CD2-CE2 4.43Å; L436-Y535 WeakPolarHBondContact CD2-OH 3.22Å; L436-Y535 HydrophobicContact CG-CE2 4.37Å
437T35.6Very low30Very low8 Ų875 Ų755%0.04941%0.409CS..  trans45.991.2137.348.80000117.9L185 L439 L483L185-T437 HydrophobicContact CD2-CG2 4.09Å; T437-L439 HydrophobicContact CG2-CD1 3.3Å; T437-L439 HydrophobicContact CG2-CG 3.58Å; T437-L439 PolarHBondContact O-N 2.72Å; T437-L483 HydrophobicContact CG2-CD1 4.46Å
438K30.5Very low29.9Very low123 Ų12375.6 Ų75.654%0.53541%0.411SS..  trans-63.260.9137.2-65.6175.1172.91740109.5F479K438-F479 HydrophobicContact CB-CD2 3.81Å; K438-F479 HydrophobicContact CB-CE2 3.53Å; K438-F479 HydrophobicContact CD-CD2 4.43Å; K438-F479 WeakPolarHBondContact O-CE2 3.37Å; K438-F479 WeakPolarHBondContact O-CZ 3.4Å
439L27.9Very low29.8Very low42 Ų4274.8 Ų74.822%0.2241%0.41CS..  trans-84.3119.4165-73170.4000106.2T437 E474 F479T437-L439 HydrophobicContact CG2-CD1 3.3Å; T437-L439 HydrophobicContact CG2-CG 3.58Å; T437-L439 PolarHBondContact O-N 2.72Å; L439-E474 WeakPolarHBondContact CD2-OE1 3.38Å; L439-F479 HydrophobicContact CD2-CZ 4.48Å
440E28.6Very low29.8Very low135 Ų13576 Ų7663%0.63142%0.417SS*.  trans44.177.4171.5-53.6-160.8161.500117R12 N442R12-E440 PolarHBondContact NH1-O 3.28Å; E440-N442 PolarHBondContact O-N 2.82Å; E440-N442 VanDerWaalsContact O-N 3.14Å
441A29Very low29.6Very low58 Ų5877 Ų7748%0.47943%0.431SS..  trans-67.4108158.600000110.9
442N29.9Very low29.4Very low75 Ų7582.6 Ų82.640%0.40146%0.46SS..  trans71.8104.4153.1-154.1-6.5000119.7E440 N444E440-N442 PolarHBondContact O-N 2.82Å; E440-N442 VanDerWaalsContact O-N 3.14Å; N442-N444 PolarHBondContact OD1-N 3.3Å
443P27.9Very low28.9Very low75 Ų7588.1 Ų88.149%0.48749%0.49SS..SBendtrans-92.1122141.530.9-17.8000110.1
444N23.6Very low28Very low134 Ų13495.7 Ų95.772%0.71752%0.523SS*.  trans71.181.9157.6-49-30.5000118N442N442-N444 PolarHBondContact OD1-N 3.3Å
445T25Very low27.4Very low109 Ų109101.8 Ų101.867%0.66956%0.555SS**  trans-108.6102.9138.9-42.30000108C447T445-C447 PolarHBondContact O-N 3.27Å
446S23.1Very low27.3Very low104 Ų104109.1 Ų109.173%0.72759%0.594SS**  trans-60.992.6173.250.80000110.4I448S446-I448 PolarHBondContact O-N 3.46Å
447C23.9Very low27.1Very low108 Ų108116.1 Ų116.173%0.7363%0.631SS**  trans-78.595.8160.1-70.70000107.6T445 I449T445-C447 PolarHBondContact O-N 3.27Å; C447-I449 PolarHBondContact O-N 2.89Å
448I22.5Very low26.8Very low142 Ų142121.1 Ų121.173%0.72866%0.661SS**  trans-54.7105.7157.8-63.9168.3000105.8S446 D450S446-I448 PolarHBondContact O-N 3.46Å; I448-D450 PolarHBondContact O-N 3Å
449I26.4Very low26.4Very low149 Ų149123.2 Ų123.276%0.76468%0.678SS**  trans-83.1109.3165.7-62.9176.1000104.7C447 D451C447-I449 PolarHBondContact O-N 2.89Å; I449-D451 PolarHBondContact O-N 3.42Å
450D24.8Very low26.3Very low139 Ų139126.3 Ų126.374%0.74370%0.703SS**  trans-58.7108.5167.1-73.4-41.2000108.3I448 D452I448-D450 PolarHBondContact O-N 3Å; D450-D452 PolarHBondContact O-N 2.98Å; D450-D452 VanDerWaalsContact O-N 3.16Å
451D25.2Very low26Very low150 Ų150126.6 Ų126.680%0.80271%0.714SS**  trans-7986.1174.1-171.717000108.8I449I449-D451 PolarHBondContact O-N 3.42Å
452D24.8Very low25.8Very low142 Ų142132.5 Ų132.576%0.75973%0.731SS**  trans-10990.8161.8-89.8-31.5000108D450D450-D452 PolarHBondContact O-N 2.98Å; D450-D452 VanDerWaalsContact O-N 3.16Å
453N30.2Very low25.5Very low131 Ų131137.8 Ų137.870%0.70175%0.753SS**  177.5108.7127.1-90.9-52.4000113.3
454K26.8Very low25.2Very low170 Ų170139.8 Ų139.874%0.73977%0.77SS**  50.4123.5122.7-69.7-172.7-179.5179.60120.9
455D26.6Very low25.2Very low135 Ų135137.7 Ų137.772%0.72277%0.771SS**  trans75.499.9138.4-56-26.3000117.7
456D30.2Very low25.2Very low157 Ų157138.2 Ų138.284%0.8478%0.776SS**  145.8105.3121.7-80-25.7000113.6
457D26.7Very low25.3Very low152 Ų152140.8 Ų140.881%0.81378%0.781SS**  trans61135.9132.3-142.411.9000122.8
458V29.6Very low25.4Very low113 Ų113141 Ų14169%0.68578%0.778SS**  trans78.294.4163-159.30000120S460V458-S460 PolarHBondContact O-N 3.17Å
459L22Very low25.6Very low167 Ų167138.4 Ų138.487%0.87477%0.773SS**  trans-11109.5144.2-65.2161.2000117.2
460S25.8Very low25.8Very low108 Ų108136.7 Ų136.776%0.75577%0.765SS**  trans-145.9108.6144.466.60000111.2V458 Q462V458-S460 PolarHBondContact O-N 3.17Å; S460-Q462 PolarHBondContact O-N 3.35Å
461V22.1Very low26.1Very low140 Ų140136.9 Ų136.985%0.84876%0.759SS**  trans-68.6106.1169.9175.40000108.2
462Q24.4Very low26.5Very low182 Ų182137.6 Ų137.685%0.8575%0.752SS**  trans-126.5129.2159.4-77.3-168.3-13.900109.6S460S460-Q462 PolarHBondContact O-N 3.35Å
463Q22.9Very low27.6Very low186 Ų186135.3 Ų135.387%0.86974%0.74SS**  trans-59.7134.3-168-71.2158.1-30.200112A465Q463-A465 PolarHBondContact O-N 3.48Å
464S22.2Very low28.5Very low118 Ų118131.5 Ų131.583%0.82572%0.718SS**  trans-42.9112166.245.60000112.2
465A25Very low30.2Very low90 Ų90126.1 Ų126.174%0.74470%0.695SS**  trans-72.1142.1162.200000109.2Q463Q463-A465 PolarHBondContact O-N 3.48Å
466P24.5Very low32.9Very low119 Ų119122.9 Ų122.977%0.77368%0.678SS**  trans-73.2150.4-166.6-9.225.7000112.5V468P466-V468 PolarHBondContact O-N 2.87Å
467L24Very low35.7Very low159 Ų159115.5 Ų115.583%0.83264%0.638SS**  trans-40.9117.3174.9-81.689.6000112.2S469L467-S469 PolarHBondContact O-N 3.15Å; L467-S469 VanDerWaalsContact O-N 3.14Å
468V26Very low38.6Very low111 Ų111111.3 Ų111.367%0.67362%0.616SS**  trans-75.798.1169.1179.30000107.3P466 Y472P466-V468 PolarHBondContact O-N 2.87Å; V468-Y472 HydrophobicContact CG1-CE2 4.03Å
469S27.9Very low41.3Very low88 Ų88106.6 Ų106.662%0.61559%0.587SS**  trans-53.2134169.354.70000110.5L467 K471L467-S469 PolarHBondContact O-N 3.15Å; L467-S469 VanDerWaalsContact O-N 3.14Å; S469-K471 PolarHBondContact O-N 2.67Å
470N31.1Very low44.5Very low113 Ų11398.7 Ų98.760%0.60455%0.545SS*.SBendtrans-65.550.4-176.2-83.7-27.5000115.3Y472N470-Y472 PolarHBondContact O-N 2.9Å; N470-Y472 VanDerWaalsContact O-N 3.1Å
471K29.4Very low47.7Very low143 Ų14394.7 Ų94.762%0.62251%0.514SS*.THydrogen-bonded Turntrans-68.21.3172.4-111.6-179178.4179.80114.6S469 N473S469-K471 PolarHBondContact O-N 2.67Å; K471-N473 VanDerWaalsContact C-N 3.35Å; K471-N473 PolarHBondContact O-N 3.2Å
472Y34.8Very low50.8Low165 Ų16590.6 Ų90.665%0.64748%0.484SS*.THydrogen-bonded Turntrans-71.8-19.5-171.5-84.3-78.1000115.2V468 N470V468-Y472 HydrophobicContact CG1-CE2 4.03Å; N470-Y472 PolarHBondContact O-N 2.9Å; N470-Y472 VanDerWaalsContact O-N 3.1Å
473N46.6Very low53.9Low94 Ų9481.9 Ų81.950%0.50344%0.443SS..THydrogen-bonded Turntrans-87-32.7-170.6-73.3-16.9000114.3K471 E475 F479K471-N473 VanDerWaalsContact C-N 3.35Å; K471-N473 PolarHBondContact O-N 3.2Å; N473-E475 VanDerWaalsContact C-N 3.32Å; N473-E475 PolarHBondContact O-N 2.85Å; N473-F479 VanDerWaalsContact O-CB 3.27Å; N473-F479 WeakPolarHBondContact O-CB 3.49Å
474E49.8Very low57.2Low52 Ų5273 Ų7324%0.24340%0.402CS..THydrogen-bonded Turntrans-72.9-25.9179.6-66.8-167.2176.700113.3L439 N476 F479L439-E474 WeakPolarHBondContact CD2-OE1 3.38Å; E474-N476 PolarHBondContact O-N 2.74Å; E474-F479 HydrophobicContact CB-CD1 4.32Å; E474-F479 HydrophobicContact CB-CE1 4.15Å; E474-F479 HydrophobicContact CG-CE1 3.97Å
475E63.3Low60.4Low57 Ų5768.1 Ų68.127%0.26637%0.367SS..THydrogen-bonded Turntrans-821-176.1-60-177.816600113.1N473N473-E475 VanDerWaalsContact C-N 3.32Å; N473-E475 PolarHBondContact O-N 2.85Å
476N81.9Confident63.3Low66 Ų6664.2 Ų64.235%0.35334%0.336SS..  trans-90.4131.2-177.1-169.6-25.9000111.7E474 N478 F479 M480E474-N476 PolarHBondContact O-N 2.74Å; N476-N478 PolarHBondContact O-N 2.98Å; N476-N478 VanDerWaalsContact O-N 3.13Å; N476-N478 WeakPolarHBondContact OD1-CB 3.4Å; N476-N478 PolarHBondContact OD1-N 3.45Å; N476-N478 PolarHBondContact OD1-ND2 2.86Å; N476-F479 HydrophobicContact CB-CB 4.47Å; N476-F479 WeakPolarHBondContact O-CB 3.39Å; N476-F479 PolarHBondContact O-N 3.1Å; N476-M480 PolarHBondContact O-N 3.13Å
477L89Confident66.2Low2 Ų258.9 Ų58.91%0.0130%0.301CS..Hα-helixtrans-56.4-29.9175.4-74.9179.1000113I248 W251 I276 F284 V288 M480 H481I248-L477 HydrophobicContact CB-CB 4.49Å; I248-L477 HydrophobicContact CG1-CB 4.35Å; I248-L477 HydrophobicContact CG2-CB 3.49Å; I248-L477 VanDerWaalsContact CG2-CB 3.49Å; I248-L477 HydrophobicContact CG2-CD1 4.33Å; W251-L477 HydrophobicContact CB-CD1 4.15Å; I276-L477 HydrophobicContact CD1-CD2 3.86Å; I276-L477 HydrophobicContact CG1-CD2 4.05Å; I276-L477 HydrophobicContact CG2-CD2 4.2Å; F284-L477 HydrophobicContact CD1-CD2 4.15Å; F284-L477 HydrophobicContact CD1-CG 4.3Å; F284-L477 HydrophobicContact CE1-CD2 3.61Å; F284-L477 HydrophobicContact CE1-CG 4.06Å; F284-L477 HydrophobicContact CZ-CD2 3.84Å; V288-L477 HydrophobicContact CG1-CD1 3.72Å; L477-M480 PolarHBondContact O-N 3.24Å; L477-H481 WeakPolarHBondContact O-CB 3.41Å; L477-H481 PolarHBondContact O-N 3.19Å
478N88.1Confident69.4Low65 Ų6551.5 Ų51.535%0.34826%0.263SS..Hα-helixtrans-70-33.6175.8-65-68.6000112.6D252 N476 H481 Y482D252-N478 PolarHBondContact OD2-ND2 3.3Å; N476-N478 PolarHBondContact O-N 2.98Å; N476-N478 VanDerWaalsContact O-N 3.13Å; N476-N478 WeakPolarHBondContact OD1-CB 3.4Å; N476-N478 PolarHBondContact OD1-N 3.45Å; N476-N478 PolarHBondContact OD1-ND2 2.86Å; N478-H481 WeakPolarHBondContact O-CB 3.47Å; N478-Y482 PolarHBondContact O-N 3.36Å
479F86.7Confident72.3Confident14 Ų1447.5 Ų47.56%0.06124%0.238CC..Hα-helixtrans-70.6-42.2172.1171.4-108.6000110.7K438 L439 N473 E474 N476 H481 Y482 L483K438-F479 HydrophobicContact CB-CD2 3.81Å; K438-F479 HydrophobicContact CB-CE2 3.53Å; K438-F479 HydrophobicContact CD-CD2 4.43Å; K438-F479 WeakPolarHBondContact O-CE2 3.37Å; K438-F479 WeakPolarHBondContact O-CZ 3.4Å; L439-F479 HydrophobicContact CD2-CZ 4.48Å; N473-F479 VanDerWaalsContact O-CB 3.27Å; N473-F479 WeakPolarHBondContact O-CB 3.49Å; E474-F479 HydrophobicContact CB-CD1 4.32Å; E474-F479 HydrophobicContact CB-CE1 4.15Å; E474-F479 HydrophobicContact CG-CE1 3.97Å; N476-F479 HydrophobicContact CB-CB 4.47Å; N476-F479 WeakPolarHBondContact O-CB 3.39Å; N476-F479 PolarHBondContact O-N 3.1Å; F479-H481 VanDerWaalsContact C-N 3.3Å; F479-H481 PolarHBondContact O-N 3.3Å; F479-Y482 HydrophobicContact CE2-CD1 4.47Å; F479-Y482 WeakPolarHBondContact O-CB 3.32Å; F479-Y482 PolarHBondContact O-N 3.5Å; F479-L483 HydrophobicContact CE1-CD2 4.45Å; F479-L483 WeakPolarHBondContact O-CB 3.44Å; F479-L483 PolarHBondContact O-N 3.4Å
480M90Very high74.7Confident1 Ų145.8 Ų45.81%0.00522%0.221CC..Hα-helixtrans-61-39.4174.8-64.2-57.8-60.500112.2F189 L279 F284 N476 L477 Y482 L483 W484F189-M480 HydrophobicContact CE1-CE 3.7Å; F189-M480 HydrophobicContact CZ-CE 3.62Å; L279-M480 HydrophobicContact CD1-CE 3.84Å; F284-M480 HydrophobicContact CZ-CG 4.49Å; N476-M480 PolarHBondContact O-N 3.13Å; L477-M480 PolarHBondContact O-N 3.24Å; M480-Y482 VanDerWaalsContact C-N 3.34Å; M480-Y482 PolarHBondContact O-N 2.94Å; M480-L483 HydrophobicContact CE-CD2 4.13Å; M480-L483 PolarHBondContact O-N 2.86Å; M480-L483 HydrophobicContact SD-CD2 4.14Å; M480-W484 HydrophobicContact CB-CD2 4.14Å; M480-W484 HydrophobicContact CB-CE3 3.91Å; M480-W484 HydrophobicContact CB-CH2 3.63Å; M480-W484 HydrophobicContact CB-CZ2 3.9Å; M480-W484 HydrophobicContact CB-CZ3 3.61Å; M480-W484 HydrophobicContact CE-CZ2 3.74Å; M480-W484 HydrophobicContact CG-CH2 4.46Å; M480-W484 WeakPolarHBondContact O-CB 3.46Å; M480-W484 PolarHBondContact O-N 3.26Å
481H92.5Very high77.1Confident24 Ų2448 Ų4811%0.11123%0.225CC..Hα-helixtrans-53.7-50.2172.4-177.155.1000112.6Y201 L241 I248 L477 N478 F479 S485Y201-H481 AromaticContact CE1-CE1 3.63Å; Y201-H481 AromaticContact CE1-ND1 3.32Å; Y201-H481 VanDerWaalsContact CE1-ND1 3.32Å; Y201-H481 WeakPolarHBondContact CE1-ND1 3.05Å; Y201-H481 WeakPolarHBondContact CE1-O 2.95Å; Y201-H481 AromaticContact CZ-ND1 3.51Å; Y201-H481 PolarHBondContact OH-ND1 3.2Å; L241-H481 PolarHBondContact O-CE1 2.97Å; L241-H481 VanDerWaalsContact O-CE1 3.3Å; L241-H481 PolarHBondContact O-NE2 3.35Å; I248-H481 HydrophobicContact CD1-CB 3.45Å; I248-H481 VanDerWaalsContact CD1-CB 3.45Å; L477-H481 WeakPolarHBondContact O-CB 3.41Å; L477-H481 PolarHBondContact O-N 3.19Å; N478-H481 WeakPolarHBondContact O-CB 3.47Å; F479-H481 VanDerWaalsContact C-N 3.3Å; F479-H481 PolarHBondContact O-N 3.3Å; H481-S485 WeakPolarHBondContact O-CB 3.48Å; H481-S485 PolarHBondContact O-N 2.78Å
482Y87.4Confident79.4Confident53 Ų5347.4 Ų47.421%0.20822%0.22CC..Hα-helixtrans-61-51.8176171.3-94.3000110.2E69 V435 L436 N478 F479 M480 W484 S485 G486E69-Y482 PolarHBondContact OE1-OH 2.97Å; V435-Y482 HydrophobicContact CG1-CD1 4.05Å; V435-Y482 HydrophobicContact CG1-CD2 4.45Å; V435-Y482 HydrophobicContact CG1-CE1 3.63Å; V435-Y482 HydrophobicContact CG1-CE2 4.09Å; V435-Y482 HydrophobicContact CG1-CG 4.43Å; V435-Y482 WeakPolarHBondContact CG1-O 3.47Å; V435-Y482 HydrophobicContact CG2-CE2 4.48Å; L436-Y482 PolarHBondContact O-OH 2.73Å; N478-Y482 PolarHBondContact O-N 3.36Å; F479-Y482 HydrophobicContact CE2-CD1 4.47Å; F479-Y482 WeakPolarHBondContact O-CB 3.32Å; F479-Y482 PolarHBondContact O-N 3.5Å; M480-Y482 VanDerWaalsContact C-N 3.34Å; M480-Y482 PolarHBondContact O-N 2.94Å; Y482-W484 PolarHBondContact O-N 3.1Å; Y482-S485 WeakPolarHBondContact O-CB 3.33Å; Y482-S485 PolarHBondContact O-N 3.47Å; Y482-S485 VanDerWaalsContact O-N 3.13Å; Y482-S485 PolarHBondContact O-OG 3.41Å; Y482-G486 PolarHBondContact O-N 3.18Å
483L88Confident81.5Confident0 Ų040.5 Ų40.50%019%0.194CC..Hα-helixtrans-56.3-47.2179.4-178.365.9000113.4L185 K188 F189 T437 F479 M480 S485 G486 C487L185-L483 HydrophobicContact CD1-CD1 4.06Å; L185-L483 HydrophobicContact CD2-CD1 3.74Å; K188-L483 HydrophobicContact CD-CD2 3.89Å; F189-L483 HydrophobicContact CE2-CD2 4.11Å; F189-L483 HydrophobicContact CE2-CG 4.44Å; F189-L483 HydrophobicContact CZ-CD2 3.74Å; F189-L483 HydrophobicContact CZ-CG 4.44Å; T437-L483 HydrophobicContact CG2-CD1 4.46Å; F479-L483 HydrophobicContact CE1-CD2 4.45Å; F479-L483 WeakPolarHBondContact O-CB 3.44Å; F479-L483 PolarHBondContact O-N 3.4Å; M480-L483 HydrophobicContact CE-CD2 4.13Å; M480-L483 PolarHBondContact O-N 2.86Å; M480-L483 HydrophobicContact SD-CD2 4.14Å; L483-S485 VanDerWaalsContact C-N 3.32Å; L483-S485 PolarHBondContact O-N 2.68Å; L483-G486 PolarHBondContact O-N 3.47Å; L483-G486 VanDerWaalsContact O-N 3.14Å; L483-C487 PolarHBondContact O-N 2.89Å; L483-C487 PolarHBondContact O-SG 3.28Å; L483-C487 VanDerWaalsContact O-SG 3.41Å
484W92.5Very high83.2Confident0 Ų038.8 Ų38.80%019%0.193CC..Hα-helixtrans-66.2-33.7178.4-66-40.3000112.8F189 I197 Y201 F272 L275 I276 L279 M480 Y482 G486 A488F189-W484 AromaticContact CE1-NE1 3.78Å; F189-W484 AromaticContact CZ-CD1 3.83Å; F189-W484 AromaticContact CZ-NE1 3.54Å; I197-W484 VanDerWaalsContact CD1-CD1 3.43Å; I197-W484 HydrophobicContact CD1-CG 4.42Å; I197-W484 HydrophobicContact CG1-CG 4.13Å; I197-W484 HydrophobicContact CG2-CB 4.23Å; Y201-W484 WeakPolarHBondContact CB-O 3.47Å; Y201-W484 HydrophobicContact CD1-CB 4.08Å; Y201-W484 HydrophobicContact CD2-CB 3.71Å; Y201-W484 HydrophobicContact CE1-CB 4.05Å; Y201-W484 HydrophobicContact CE2-CB 3.72Å; Y201-W484 HydrophobicContact CE2-CD2 4.27Å; Y201-W484 AromaticContact CE2-CE3 3.89Å; Y201-W484 HydrophobicContact CE2-CE3 3.89Å; Y201-W484 HydrophobicContact CE2-CG 4.28Å; Y201-W484 HydrophobicContact CG-CB 3.9Å; Y201-W484 AromaticContact CZ-CE3 3.85Å; F272-W484 HydrophobicContact CE2-CE3 4.02Å; F272-W484 HydrophobicContact CE2-CH2 4.12Å; F272-W484 AromaticContact CE2-CZ3 3.54Å; F272-W484 HydrophobicContact CE2-CZ3 3.54Å; F272-W484 HydrophobicContact CZ-CZ3 4.05Å; L275-W484 HydrophobicContact CD2-CD2 4.12Å; L275-W484 HydrophobicContact CD2-CH2 4.23Å; L275-W484 HydrophobicContact CD2-CZ2 3.74Å; L275-W484 HydrophobicContact CG-CH2 4.45Å; L275-W484 HydrophobicContact CG-CZ2 3.86Å; I276-W484 HydrophobicContact CG1-CH2 4.04Å; L279-W484 HydrophobicContact CD1-CH2 4.24Å; L279-W484 HydrophobicContact CD1-CZ2 3.55Å; M480-W484 HydrophobicContact CB-CD2 4.14Å; M480-W484 HydrophobicContact CB-CE3 3.91Å; M480-W484 HydrophobicContact CB-CH2 3.63Å; M480-W484 HydrophobicContact CB-CZ2 3.9Å; M480-W484 HydrophobicContact CB-CZ3 3.61Å; M480-W484 HydrophobicContact CE-CZ2 3.74Å; M480-W484 HydrophobicContact CG-CH2 4.46Å; M480-W484 WeakPolarHBondContact O-CB 3.46Å; M480-W484 PolarHBondContact O-N 3.26Å; Y482-W484 PolarHBondContact O-N 3.1Å; W484-G486 PolarHBondContact O-N 3.37Å; W484-A488 WeakPolarHBondContact O-CB 3.01Å; W484-A488 PolarHBondContact O-N 2.94Å
485S90.6Very high85Confident14 Ų1437 Ų3710%0.09819%0.185CC..Hα-helixtrans-62.9-25.9174.778.50000112.8R237 H481 Y482 L483R237-S485 PolarHBondContact NH2-O 3.35Å; R237-S485 VanDerWaalsContact NH2-O 3.1Å; H481-S485 WeakPolarHBondContact O-CB 3.48Å; H481-S485 PolarHBondContact O-N 2.78Å; Y482-S485 WeakPolarHBondContact O-CB 3.33Å; Y482-S485 PolarHBondContact O-N 3.47Å; Y482-S485 VanDerWaalsContact O-N 3.13Å; Y482-S485 PolarHBondContact O-OG 3.41Å; L483-S485 VanDerWaalsContact C-N 3.32Å; L483-S485 PolarHBondContact O-N 2.68Å
486G84.2Confident86.3Confident8 Ų834.7 Ų34.78%0.08218%0.175CC..Hα-helixtrans-91.1-38.7179.100000117.4V435 Y482 L483 W484V435-G486 VanDerWaalsContact CG1-CA 3.43Å; V435-G486 VanDerWaalsContact CG2-CA 3.48Å; Y482-G486 PolarHBondContact O-N 3.18Å; L483-G486 PolarHBondContact O-N 3.47Å; L483-G486 VanDerWaalsContact O-N 3.14Å; W484-G486 PolarHBondContact O-N 3.37Å
487C87.4Confident86.9Confident7 Ų736.4 Ų36.45%0.04718%0.181CC..Hα-helixtrans-88.2-5.1-177.770.70000113.8L185 F194 L483 Q490L185-C487 HydrophobicContact CB-CB 4.24Å; L185-C487 HydrophobicContact CD1-CB 3.87Å; F194-C487 HydrophobicContact CE1-CB 4.23Å; L483-C487 PolarHBondContact O-N 2.89Å; L483-C487 PolarHBondContact O-SG 3.28Å; L483-C487 VanDerWaalsContact O-SG 3.41Å; C487-Q490 WeakPolarHBondContact O-CG 2.98Å
488A89.4Confident87.2Confident4 Ų437.8 Ų37.83%0.03319%0.19CC..  trans-67.7157.1176.200000112.3I197 W484I197-A488 HydrophobicContact CG2-CB 3.81Å; W484-A488 WeakPolarHBondContact O-CB 3.01Å; W484-A488 PolarHBondContact O-N 2.94Å
489D86.7Confident87.6Confident28 Ų2839 Ų3915%0.1520%0.196CC..  trans65.835.1178.5-163.226.9000114D198 A202 K491 Y492 N493D198-D489 PolarHBondContact OD1-N 3.4Å; A202-D489 HydrophobicContact CB-CB 4.22Å; D489-K491 PolarHBondContact O-N 2.76Å; D489-Y492 PolarHBondContact O-N 2.81Å; D489-Y492 VanDerWaalsContact O-N 3.17Å; D489-Y492 WeakPolarHBondContact OD1-CD2 3.14Å; D489-N493 HydrophobicContact CB-CB 4.34Å; D489-N493 CarbonylContact O-C 3.53Å; D489-N493 VanDerWaalsContact O-CA 3.29Å; D489-N493 WeakPolarHBondContact O-CA 3.31Å; D489-N493 WeakPolarHBondContact O-CB 2.83Å; D489-N493 PolarHBondContact O-N 2.99Å
490Q80.1Confident88.1Confident52 Ų5238.6 Ų38.624%0.24320%0.195CC..THydrogen-bonded Turntrans-54.3-29.6-177.1-64.4-164.2-22.800113.9F194 C487 A494F194-Q490 HydrophobicContact CD1-CG 4.37Å; F194-Q490 HydrophobicContact CE1-CG 4.26Å; C487-Q490 WeakPolarHBondContact O-CG 2.98Å; Q490-A494 WeakPolarHBondContact O-CB 3.18Å; Q490-A494 PolarHBondContact O-N 3.17Å
491K80.6Confident88.5Confident159 Ų15941.9 Ų41.969%0.69122%0.215SC*.THydrogen-bonded Turntrans-67-42.7-177.4-177.8178.3177.3-168.70113D489D489-K491 PolarHBondContact O-N 2.76Å
492Y77.9Confident88.7Confident130 Ų13044.9 Ų44.951%0.5124%0.236SC..THydrogen-bonded Turntrans-101.8-15.7-178.8-59.3-73.9000111.5D489D489-Y492 PolarHBondContact O-N 2.81Å; D489-Y492 VanDerWaalsContact O-N 3.17Å; D489-Y492 WeakPolarHBondContact OD1-CD2 3.14Å
493N78.4Confident89.2Confident21 Ų2149.3 Ų49.311%0.11226%0.257CS..  trans-14965.9-172.1-172.555.1000113.9L432 D489L432-N493 VanDerWaalsContact C-OD1 3.25Å; L432-N493 WeakPolarHBondContact CA-OD1 3.43Å; L432-N493 HydrophobicContact CB-CB 4.07Å; L432-N493 WeakPolarHBondContact CB-ND2 3.39Å; L432-N493 WeakPolarHBondContact CB-OD1 3.26Å; L432-N493 PolarHBondContact N-OD1 2.67Å; L432-N493 PolarHBondContact O-ND2 3.15Å; L432-N493 PolarHBondContact O-OD1 2.68Å; D489-N493 HydrophobicContact CB-CB 4.34Å; D489-N493 CarbonylContact O-C 3.53Å; D489-N493 VanDerWaalsContact O-CA 3.29Å; D489-N493 WeakPolarHBondContact O-CA 3.31Å; D489-N493 WeakPolarHBondContact O-CB 2.83Å; D489-N493 PolarHBondContact O-N 2.99Å
494A82.4Confident89.7Confident58 Ų5853.5 Ų53.548%0.47928%0.276SS..  trans-76.3146.9169.400000111.3Q490Q490-A494 WeakPolarHBondContact O-CB 3.18Å; Q490-A494 PolarHBondContact O-N 3.17Å
495L87.2Confident89.9Confident14 Ų1454.1 Ų54.17%0.07328%0.279CS..  trans-58.4148.8161.1-66173.2000110.1N183 L185 L436 H497 Y535N183-L495 HydrophobicContact CB-CB 4.18Å; L185-L495 HydrophobicContact CD1-CD1 3.87Å; L185-L495 HydrophobicContact CG-CD1 4.32Å; L436-L495 HydrophobicContact CD2-CD1 3.5Å; L436-L495 HydrophobicContact CD2-CD2 3.57Å; L436-L495 HydrophobicContact CD2-CG 4.18Å; L495-H497 PolarHBondContact O-N 2.87Å; L495-Y535 HydrophobicContact CD1-CE1 4.34Å
496P91.8Very high90.2Very high8 Ų857.1 Ų57.15%0.05229%0.294CS..  trans-39.1128.8167.9-32.832.8000113.3S41 Q94 T181 N183S41-P496 WeakPolarHBondContact O-CG 3.45Å; Q94-P496 HydrophobicContact CG-CG 4.43Å; T181-P496 HydrophobicContact CG2-CB 3.82Å; N183-P496 PolarHBondContact N-O 3.46Å
497H93.5Very high90.8Very high103 Ų10360.7 Ų60.748%0.47731%0.309SS..  trans-149.5110.6173.2-178.198000108.2N183 L495N183-H497 HydrophobicContact CB-CB 3.95Å; N183-H497 PolarHBondContact N-ND1 3.49Å; N183-H497 VanDerWaalsContact N-ND1 3.13Å; L495-H497 PolarHBondContact O-N 2.87Å
498S95.6Very high91.3Very high31 Ų3161.1 Ų61.122%0.21731%0.311CS..BIsolated β-bridgetrans-158.690.9178.8-176.80000109.2W91 T181 T500W91-S498 VanDerWaalsContact CD2-CB 3.47Å; T181-S498 PolarHBondContact N-O 3.09Å; T181-S498 VanDerWaalsContact N-O 3.16Å; T181-S498 CarbonylContact O-C 3.57Å; T181-S498 PolarHBondContact O-N 3.09Å; S498-T500 PolarHBondContact O-N 3.18Å
499I96.9Very high91.7Very high91 Ų9161.1 Ų61.147%0.46731%0.31SS..  trans-75.8107.9172.6-57.5178.1000108.1Q182 P537Q182-I499 HydrophobicContact CB-CD1 4.38Å; Q182-I499 HydrophobicContact CB-CG1 4.21Å; I499-P537 HydrophobicContact CG1-CG 4.31Å; I499-P537 HydrophobicContact CG2-CG 4.44Å
500T97.3Very high92.2Very high5 Ų566 Ų663%0.03133%0.332CS..  trans-90.5160.3-174.459.90000112.6W91 F179 S180 S498 E504 Q505 Q540W91-T500 HydrophobicContact CH2-CG2 3.47Å; W91-T500 VanDerWaalsContact CH2-CG2 3.47Å; W91-T500 HydrophobicContact CZ2-CG2 4.2Å; W91-T500 HydrophobicContact CZ3-CG2 3.85Å; F179-T500 WeakPolarHBondContact O-CB 3.38Å; F179-T500 VanDerWaalsContact O-CG2 3.27Å; F179-T500 WeakPolarHBondContact O-CG2 3.17Å; F179-T500 PolarHBondContact O-OG1 2.87Å; S180-T500 VanDerWaalsContact CB-OG1 3.27Å; S180-T500 WeakPolarHBondContact CB-OG1 3.46Å; S180-T500 PolarHBondContact OG-N 3.47Å; S180-T500 PolarHBondContact OG-OG1 3.49Å; S498-T500 PolarHBondContact O-N 3.18Å; T500-E504 HydrophobicContact CG2-CB 4.47Å; T500-Q505 PolarHBondContact O-NE2 3.2Å; T500-Q505 WeakPolarHBondContact OG1-CG 3.46Å; T500-Q505 PolarHBondContact OG1-NE2 3.01Å; T500-Q540 PolarHBondContact O-NE2 3.41Å
501T97.8Very high93Very high69 Ų6966.1 Ų66.142%0.42333%0.333SS..  trans-81.8157.1170.764.50000111.4K503 E504 Q505T501-K503 PolarHBondContact O-N 2.9Å; T501-E504 WeakPolarHBondContact CB-OE2 3.38Å; T501-E504 WeakPolarHBondContact CG2-OE2 3.45Å; T501-E504 PolarHBondContact N-OE2 3.41Å; T501-E504 PolarHBondContact O-N 3.09Å; T501-E504 WeakPolarHBondContact OG1-CG 3.47Å; T501-E504 PolarHBondContact OG1-N 3.48Å; T501-E504 PolarHBondContact OG1-OE2 3.5Å; T501-Q505 WeakPolarHBondContact O-CG 3.24Å; T501-Q505 PolarHBondContact O-N 2.89Å
502P97.6Very high93.8Very high88 Ų8858.7 Ų58.757%0.57130%0.3SS*.Hα-helixtrans-55.5-27.1175.1-2835.6000114.2N506P502-N506 PolarHBondContact O-N 3.3Å; P502-N506 VanDerWaalsContact O-N 3.12Å; P502-N506 PolarHBondContact O-ND2 3.01Å; P502-N506 VanDerWaalsContact O-ND2 3.11Å
503K97.7Very high94.7Very high146 Ų14654 Ų5464%0.63528%0.283SS*.Hα-helixtrans-68.7-49.2175.5-175.4-174.4172.4-157.10111.2T501 Q505 N506 E507T501-K503 PolarHBondContact O-N 2.9Å; K503-Q505 VanDerWaalsContact C-N 3.31Å; K503-Q505 PolarHBondContact O-N 3.14Å; K503-N506 PolarHBondContact O-N 2.85Å; K503-E507 WeakPolarHBondContact CE-OE1 3.1Å; K503-E507 IonicContact NZ-OE1 2.67Å; K503-E507 WeakPolarHBondContact O-CG 3.46Å; K503-E507 PolarHBondContact O-N 3.42Å
504E97.5Very high95.5Very high87 Ų8754 Ų5441%0.40729%0.288SS..Hα-helixtrans-64.3-37.2177.8-69.3160.7138.700111.5T500 T501 N506 E507 L508T500-E504 HydrophobicContact CG2-CB 4.47Å; T501-E504 WeakPolarHBondContact CB-OE2 3.38Å; T501-E504 WeakPolarHBondContact CG2-OE2 3.45Å; T501-E504 PolarHBondContact N-OE2 3.41Å; T501-E504 PolarHBondContact O-N 3.09Å; T501-E504 WeakPolarHBondContact OG1-CG 3.47Å; T501-E504 PolarHBondContact OG1-N 3.48Å; T501-E504 PolarHBondContact OG1-OE2 3.5Å; E504-N506 VanDerWaalsContact C-N 3.35Å; E504-N506 PolarHBondContact O-N 3.42Å; E504-E507 PolarHBondContact O-N 3.25Å; E504-L508 PolarHBondContact O-N 2.86Å
505Q98Very high96.1Very high13 Ų1351.4 Ų51.46%0.06127%0.266CS..Hα-helixtrans-59.8-44.5173.5-66.3167.28.900111.6F179 T500 T501 K503 L508 C509F179-Q505 HydrophobicContact CB-CG 4.33Å; T500-Q505 PolarHBondContact O-NE2 3.2Å; T500-Q505 WeakPolarHBondContact OG1-CG 3.46Å; T500-Q505 PolarHBondContact OG1-NE2 3.01Å; T501-Q505 WeakPolarHBondContact O-CG 3.24Å; T501-Q505 PolarHBondContact O-N 2.89Å; K503-Q505 VanDerWaalsContact C-N 3.31Å; K503-Q505 PolarHBondContact O-N 3.14Å; Q505-L508 PolarHBondContact O-N 3.48Å; Q505-C509 WeakPolarHBondContact O-CB 3.49Å; Q505-C509 PolarHBondContact O-N 3.06Å
506N97.1Very high96.5Very high78 Ų7850.8 Ų50.842%0.41726%0.262SS..Hα-helixtrans-66-39.9176.5-71-25.6000112P502 K503 E504 L508 C509 E510P502-N506 PolarHBondContact O-N 3.3Å; P502-N506 VanDerWaalsContact O-N 3.12Å; P502-N506 PolarHBondContact O-ND2 3.01Å; P502-N506 VanDerWaalsContact O-ND2 3.11Å; K503-N506 PolarHBondContact O-N 2.85Å; E504-N506 VanDerWaalsContact C-N 3.35Å; E504-N506 PolarHBondContact O-N 3.42Å; N506-L508 PolarHBondContact O-N 2.83Å; N506-C509 WeakPolarHBondContact O-CB 3.49Å; N506-C509 PolarHBondContact O-N 3.35Å; N506-E510 WeakPolarHBondContact O-CG 3.22Å; N506-E510 PolarHBondContact O-N 3.48Å
507E97Very high96.7Very high82 Ų8254.7 Ų54.738%0.38328%0.283SS..Hα-helixtrans-60.9-44.1176-72.2172.7-173.500111.6K503 E504 C509 E510 Q511K503-E507 WeakPolarHBondContact CE-OE1 3.1Å; K503-E507 IonicContact NZ-OE1 2.67Å; K503-E507 WeakPolarHBondContact O-CG 3.46Å; K503-E507 PolarHBondContact O-N 3.42Å; E504-E507 PolarHBondContact O-N 3.25Å; E507-C509 VanDerWaalsContact C-N 3.34Å; E507-E510 PolarHBondContact O-N 2.93Å; E507-Q511 VanDerWaalsContact O-CG 3.29Å; E507-Q511 WeakPolarHBondContact O-CG 3.44Å; E507-Q511 PolarHBondContact O-N 3.39Å
508L97.3Very high96.7Very high17 Ų1754.7 Ų54.79%0.08928%0.279CS..Hα-helixtrans-64.2-39.1173.8-78169000112.4W91 I148 F179 E504 Q505 N506 Q511 M512W91-L508 HydrophobicContact CH2-CD1 3.44Å; W91-L508 VanDerWaalsContact CH2-CD1 3.44Å; W91-L508 HydrophobicContact CZ2-CD1 4.31Å; W91-L508 HydrophobicContact CZ3-CD1 4.1Å; I148-L508 HydrophobicContact CB-CD2 4.26Å; I148-L508 HydrophobicContact CG2-CD2 4.02Å; F179-L508 HydrophobicContact CD1-CB 4Å; F179-L508 HydrophobicContact CE1-CB 4.34Å; E504-L508 PolarHBondContact O-N 2.86Å; Q505-L508 PolarHBondContact O-N 3.48Å; N506-L508 PolarHBondContact O-N 2.83Å; L508-Q511 PolarHBondContact O-N 3.44Å; L508-M512 WeakPolarHBondContact O-CB 3.4Å; L508-M512 PolarHBondContact O-N 3.41Å
509C97.4Very high96.6Very high4 Ų454.2 Ų54.23%0.02727%0.274CS..Hα-helixtrans-62.1-42.1175.8-164.40000111.7F179 Q505 N506 E507 M512 E513F179-C509 HydrophobicContact CE1-CB 4.02Å; Q505-C509 WeakPolarHBondContact O-CB 3.49Å; Q505-C509 PolarHBondContact O-N 3.06Å; N506-C509 WeakPolarHBondContact O-CB 3.49Å; N506-C509 PolarHBondContact O-N 3.35Å; E507-C509 VanDerWaalsContact C-N 3.34Å; C509-M512 PolarHBondContact O-N 2.9Å; C509-E513 VanDerWaalsContact O-CB 3.27Å; C509-E513 WeakPolarHBondContact O-CB 3.3Å; C509-E513 PolarHBondContact O-N 3.42Å
510E96.8Very high96.5Very high131 Ų13153.2 Ų53.261%0.61227%0.267SS*.Hα-helixtrans-65.7-38.9175.7-73.5176.6-178.500112.4N506 E507 E513 G514N506-E510 WeakPolarHBondContact O-CG 3.22Å; N506-E510 PolarHBondContact O-N 3.48Å; E507-E510 PolarHBondContact O-N 2.93Å; E510-E513 PolarHBondContact O-N 2.92Å; E510-G514 PolarHBondContact O-N 3.42Å
511Q96.7Very high96.5Very high54 Ų5456.8 Ų56.825%0.25229%0.286SS..Hα-helixtrans-64.7-44.7175.7-70.1172.95.700111.6I148 E507 L508 G514 L515I148-Q511 HydrophobicContact CG2-CB 3.81Å; E507-Q511 VanDerWaalsContact O-CG 3.29Å; E507-Q511 WeakPolarHBondContact O-CG 3.44Å; E507-Q511 PolarHBondContact O-N 3.39Å; L508-Q511 PolarHBondContact O-N 3.44Å; Q511-G514 PolarHBondContact O-N 2.87Å; Q511-L515 PolarHBondContact O-N 2.98Å
512M97.4Very high96.4Very high2 Ų253.8 Ų53.81%0.0127%0.267CS..Hα-helixtrans-60.7-48.6173.5-175.5-175.7-63.800110.9F39 I174 T178 F179 L508 C509 G514 L515 L516 L548 M551F39-M512 HydrophobicContact CB-CE 3.77Å; F39-M512 HydrophobicContact CD1-CE 3.55Å; F39-M512 HydrophobicContact CD1-CG 4.3Å; F39-M512 HydrophobicContact CD1-SD 4.49Å; F39-M512 HydrophobicContact CD2-CE 4.26Å; F39-M512 HydrophobicContact CD2-SD 4.46Å; F39-M512 HydrophobicContact CE1-CB 4.44Å; F39-M512 HydrophobicContact CE1-CE 4.12Å; F39-M512 HydrophobicContact CE1-CG 3.89Å; F39-M512 HydrophobicContact CE2-CG 4.22Å; F39-M512 HydrophobicContact CG-CE 3.61Å; F39-M512 HydrophobicContact CG-SD 4.37Å; F39-M512 HydrophobicContact CZ-CG 3.84Å; I174-M512 HydrophobicContact CD1-SD 3.99Å; I174-M512 HydrophobicContact CG2-CE 4.31Å; T178-M512 HydrophobicContact CG2-CE 4.36Å; F179-M512 HydrophobicContact CE1-CE 4.02Å; F179-M512 HydrophobicContact CE2-CE 4.21Å; F179-M512 HydrophobicContact CZ-CE 3.46Å; F179-M512 VanDerWaalsContact CZ-CE 3.46Å; F179-M512 HydrophobicContact CZ-SD 4.02Å; L508-M512 WeakPolarHBondContact O-CB 3.4Å; L508-M512 PolarHBondContact O-N 3.41Å; C509-M512 PolarHBondContact O-N 2.9Å; M512-G514 VanDerWaalsContact C-N 3.28Å; M512-G514 PolarHBondContact O-N 2.85Å; M512-L515 PolarHBondContact O-N 3.14Å; M512-L516 HydrophobicContact CG-CD1 3.98Å; M512-L516 HydrophobicContact CG-CG 4.28Å; M512-L516 WeakPolarHBondContact O-CG 3.3Å; M512-L516 PolarHBondContact O-N 2.9Å; M512-L516 HydrophobicContact SD-CD1 4.49Å; M512-L548 HydrophobicContact SD-CD1 4.17Å; M512-M551 HydrophobicContact CG-CE 4.34Å; M512-M551 HydrophobicContact SD-CE 3.88Å
513E97.1Very high96.3Very high33 Ų3351.2 Ų51.215%0.15425%0.251CS..Hα-helixtrans-55.2-43.1176.4-178.8165.8177.900111.6C509 E510 L515 L516 N517 M551 R554 V555C509-E513 VanDerWaalsContact O-CB 3.27Å; C509-E513 WeakPolarHBondContact O-CB 3.3Å; C509-E513 PolarHBondContact O-N 3.42Å; E510-E513 PolarHBondContact O-N 2.92Å; E513-L515 VanDerWaalsContact C-N 3.31Å; E513-L515 PolarHBondContact O-N 3.44Å; E513-L516 PolarHBondContact O-N 2.92Å; E513-N517 WeakPolarHBondContact CG-ND2 3.32Å; E513-N517 WeakPolarHBondContact O-CB 3.43Å; E513-N517 PolarHBondContact O-N 3.47Å; E513-N517 PolarHBondContact O-ND2 2.97Å; E513-M551 HydrophobicContact CB-CG 3.66Å; E513-M551 HydrophobicContact CB-SD 4Å; E513-M551 HydrophobicContact CG-CG 3.99Å; E513-M551 HydrophobicContact CG-SD 4.34Å; E513-R554 IonicContact OE1-NE 3.07Å; E513-R554 PolarHBondContact OE1-NE 2.88Å; E513-R554 VanDerWaalsContact OE1-NE 3.07Å; E513-R554 IonicContact OE2-CZ 3.34Å; E513-R554 IonicContact OE2-NE 3.1Å; E513-R554 PolarHBondContact OE2-NE 3.12Å; E513-R554 VanDerWaalsContact OE2-NE 3.1Å; E513-R554 IonicContact OE2-NH2 2.73Å; E513-R554 PolarHBondContact OE2-NH2 3.05Å; E513-V555 HydrophobicContact CG-CG2 3.82Å
514G95.3Very high96.3Very high20 Ų2044.4 Ų44.421%0.20622%0.222CC..Hα-helixtrans-59.9-37.5176.800000113.6T151 E510 Q511 M512T151-G514 VanDerWaalsContact OG1-C 3.26Å; T151-G514 PolarHBondContact OG1-O 3.42Å; E510-G514 PolarHBondContact O-N 3.42Å; Q511-G514 PolarHBondContact O-N 2.87Å; M512-G514 VanDerWaalsContact C-N 3.28Å; M512-G514 PolarHBondContact O-N 2.85Å
515L95.4Very high96.4Very high4 Ų440.2 Ų40.22%0.02120%0.202CC..Hα-helixtrans-72.9-49.4175.9-17855.8000111.4F39 M87 T151 I161 Q511 M512 E513 N517 R518 L519F39-L515 HydrophobicContact CZ-CD2 4.06Å; M87-L515 HydrophobicContact CE-CD2 3.95Å; M87-L515 HydrophobicContact SD-CD2 4.38Å; T151-L515 HydrophobicContact CG2-CB 3.63Å; T151-L515 HydrophobicContact CG2-CD1 4.38Å; T151-L515 VanDerWaalsContact CG2-N 3.31Å; I161-L515 HydrophobicContact CD1-CD2 4.43Å; I161-L515 HydrophobicContact CG2-CD1 4.47Å; Q511-L515 PolarHBondContact O-N 2.98Å; M512-L515 PolarHBondContact O-N 3.14Å; E513-L515 VanDerWaalsContact C-N 3.31Å; E513-L515 PolarHBondContact O-N 3.44Å; L515-N517 VanDerWaalsContact C-N 3.28Å; L515-N517 PolarHBondContact O-N 3.45Å; L515-R518 WeakPolarHBondContact O-CB 3.39Å; L515-R518 PolarHBondContact O-N 3.44Å; L515-L519 HydrophobicContact CG-CD1 4.45Å
516L96.5Very high96.4Very high0 Ų039.6 Ų39.60%020%0.199CC..Hα-helixtrans-62.2-35.4-176.7-63.3-179.4000112.2L37 F39 L172 M512 E513 R518 L519 M551 L552 V555L37-L516 HydrophobicContact CD2-CD2 4.01Å; F39-L516 HydrophobicContact CE2-CD2 4.24Å; L172-L516 HydrophobicContact CD1-CD2 3.94Å; L172-L516 HydrophobicContact CD2-CD1 3.92Å; L172-L516 HydrophobicContact CD2-CD2 3.9Å; M512-L516 HydrophobicContact CG-CD1 3.98Å; M512-L516 HydrophobicContact CG-CG 4.28Å; M512-L516 WeakPolarHBondContact O-CG 3.3Å; M512-L516 PolarHBondContact O-N 2.9Å; M512-L516 HydrophobicContact SD-CD1 4.49Å; E513-L516 PolarHBondContact O-N 2.92Å; L516-R518 PolarHBondContact O-N 2.85Å; L516-R518 VanDerWaalsContact O-N 3.08Å; L516-L519 HydrophobicContact CD2-CD1 4.32Å; L516-L519 PolarHBondContact O-N 3.33Å; L516-M551 HydrophobicContact CD1-CE 3.8Å; L516-M551 HydrophobicContact CD1-SD 3.96Å; L516-L552 HydrophobicContact CD1-CD2 4.36Å; L516-V555 HydrophobicContact CB-CG1 3.92Å; L516-V555 HydrophobicContact CB-CG2 4.35Å
517N95.1Very high96.5Very high91 Ų9135.9 Ų35.949%0.48718%0.18SC..THydrogen-bonded Turntrans-61.7-14.4174.5-82.9-46.5000114.6E513 L515E513-N517 WeakPolarHBondContact CG-ND2 3.32Å; E513-N517 WeakPolarHBondContact O-CB 3.43Å; E513-N517 PolarHBondContact O-N 3.47Å; E513-N517 PolarHBondContact O-ND2 2.97Å; L515-N517 VanDerWaalsContact C-N 3.28Å; L515-N517 PolarHBondContact O-N 3.45Å
518R93Very high96.5Very high103 Ų10332 Ų3239%0.38916%0.161SC..THydrogen-bonded Turntrans-98.5-6.3178.3-62.4169.6176.1-86.91.1113T151 I162 L515 L516T151-R518 PolarHBondContact OG1-NE 3.42Å; I162-R518 HydrophobicContact CD1-CB 4.21Å; L515-R518 WeakPolarHBondContact O-CB 3.39Å; L515-R518 PolarHBondContact O-N 3.44Å; L516-R518 PolarHBondContact O-N 2.85Å; L516-R518 VanDerWaalsContact O-N 3.08Å
519L94.9Very high96.6Very high21 Ų2132.3 Ų32.311%0.1116%0.161CC..SBendtrans-103.4155.3-177.2-59.5175.1000110.2L37 I162 L165 F170 L515 L516L37-L519 HydrophobicContact CD2-CD1 3.69Å; I162-L519 HydrophobicContact CG1-CD2 3.91Å; L165-L519 HydrophobicContact CB-CD2 4.31Å; L165-L519 HydrophobicContact CD1-CD1 3.73Å; L165-L519 HydrophobicContact CD1-CD2 3.94Å; L165-L519 HydrophobicContact CD1-CG 4.48Å; F170-L519 HydrophobicContact CZ-CB 4.36Å; L515-L519 HydrophobicContact CG-CD1 4.45Å; L516-L519 HydrophobicContact CD2-CD1 4.32Å; L516-L519 PolarHBondContact O-N 3.33Å
520H94.4Very high96.5Very high69 Ų6932.2 Ų32.232%0.31916%0.161SC..PPolyproline II helixtrans-72.7171166.560.4-70.9000110.5L165 Q168 F170L165-H520 PolarHBondContact O-CE1 3.23Å; Q168-H520 PolarHBondContact O-CE1 2.95Å; Q168-H520 PolarHBondContact O-NE2 2.67Å; F170-H520 AromaticContact CD1-CE1 3.82Å; F170-H520 AromaticContact CD1-NE2 3.52Å; F170-H520 AromaticContact CE1-CD2 3.93Å; F170-H520 AromaticContact CE1-CE1 3.66Å; F170-H520 AromaticContact CE1-NE2 3.49Å; F170-H520 WeakPolarHBondContact CE1-NE2 3.18Å; F170-H520 VanDerWaalsContact CE1-O 3.29Å; F170-H520 WeakPolarHBondContact CE1-O 3.33Å; F170-H520 WeakPolarHBondContact CZ-O 3.37Å
521N95.7Very high96.5Very high81 Ų8126.9 Ų26.943%0.43314%0.137SC..PPolyproline II helixtrans-62.4134-176.4-66.43.8000111.9I5I5-N521 HydrophobicContact CD1-CB 3.89Å
522P97Very high96.2Very high5 Ų530.2 Ų30.23%0.03215%0.148CC..PPolyproline II helixtrans-65.3156.7169.127.6-33.3000110.6I5 F170 L172 M524 I525 Y556I5-P522 HydrophobicContact CG2-CG 4.26Å; F170-P522 HydrophobicContact CD2-CB 4.11Å; F170-P522 HydrophobicContact CE1-CB 4.27Å; F170-P522 HydrophobicContact CE2-CB 3.65Å; F170-P522 HydrophobicContact CE2-CG 4.46Å; F170-P522 HydrophobicContact CZ-CB 3.74Å; F170-P522 HydrophobicContact CZ-CG 4.36Å; F170-P522 WeakPolarHBondContact O-CA 3.31Å; L172-P522 HydrophobicContact CB-CB 3.97Å; L172-P522 HydrophobicContact CB-CG 4.19Å; P522-M524 VanDerWaalsContact C-N 3.34Å; P522-I525 HydrophobicContact CB-CG1 4.39Å; P522-I525 HydrophobicContact CG-CD1 3.94Å; P522-I525 HydrophobicContact CG-CG1 3.65Å; P522-Y556 VanDerWaalsContact CD-CZ 3.45Å; P522-Y556 WeakPolarHBondContact CD-OH 3.42Å; P522-Y556 HydrophobicContact CG-CE1 4.32Å; P522-Y556 HydrophobicContact CG-CE2 4.37Å
523C95.9Very high95.9Very high34 Ų3430.6 Ų30.623%0.2315%0.15CC..SBendtrans-78.3-23.617569.20000112.5I29 S169 F170I29-C523 HydrophobicContact CG2-CB 3.83Å; I29-C523 VanDerWaalsContact CG2-SG 3.55Å; S169-C523 PolarHBondContact OG-SG 2.71Å; F170-C523 PolarHBondContact O-N 3.26Å; F170-C523 PolarHBondContact O-SG 3.03Å
524M97.1Very high95.6Very high3 Ų329.6 Ų29.62%0.01515%0.149CC..EExtended strand (participates in β ladder)trans-160.3148.4177.7-176.9172.4174.600109.1V8 I20 A23 I29 L172 P522 T526 F590V8-M524 HydrophobicContact CB-CE 4.19Å; V8-M524 HydrophobicContact CG2-CE 3.58Å; I20-M524 HydrophobicContact CG1-CE 4.43Å; I20-M524 HydrophobicContact CG1-SD 4.26Å; A23-M524 HydrophobicContact CB-SD 4.07Å; I29-M524 HydrophobicContact CG2-CB 4.37Å; L172-M524 PolarHBondContact N-O 3.37Å; P522-M524 VanDerWaalsContact C-N 3.34Å; M524-T526 HydrophobicContact CE-CG2 3.56Å; M524-T526 HydrophobicContact CG-CG2 4.36Å; M524-T526 HydrophobicContact SD-CG2 4.38Å; M524-F590 HydrophobicContact CE-CZ 4.39Å
525I98.6Very high95.6Very high0 Ų028.8 Ų28.80%014%0.14CC..EExtended strand (participates in β ladder)trans-117.2130172-56.7173.5000108I5 S6 V7 V8 L172 P522 I527 L552 Y556 L561I5-I525 HydrophobicContact CG2-CD1 3.81Å; I5-I525 HydrophobicContact CG2-CG1 3.78Å; S6-I525 PolarHBondContact O-N 2.89Å; V7-I525 CarbonylContact C-O 3.16Å; V7-I525 WeakPolarHBondContact CA-O 3.34Å; V7-I525 HydrophobicContact CB-CB 4.46Å; V7-I525 HydrophobicContact CG1-CB 4.38Å; V7-I525 HydrophobicContact CG1-CG2 4.18Å; V7-I525 HydrophobicContact CG2-CB 4.15Å; V7-I525 HydrophobicContact CG2-CD1 4.12Å; V8-I525 PolarHBondContact N-O 2.67Å; L172-I525 HydrophobicContact CB-CG1 4.18Å; L172-I525 HydrophobicContact CD2-CD1 4.25Å; L172-I525 HydrophobicContact CD2-CG1 4.15Å; L172-I525 HydrophobicContact CD2-CG2 4.33Å; L172-I525 HydrophobicContact CG-CG2 4.33Å; L172-I525 CarbonylContact O-C 3.6Å; L172-I525 WeakPolarHBondContact O-CA 3.48Å; P522-I525 HydrophobicContact CB-CG1 4.39Å; P522-I525 HydrophobicContact CG-CD1 3.94Å; P522-I525 HydrophobicContact CG-CG1 3.65Å; I525-I527 HydrophobicContact CG2-CG1 4.3Å; I525-L552 HydrophobicContact CD1-CD1 4.41Å; I525-L552 HydrophobicContact CD1-CD2 4.16Å; I525-L552 HydrophobicContact CG2-CD1 4.15Å; I525-Y556 HydrophobicContact CD1-CD2 4Å; I525-Y556 HydrophobicContact CD1-CE2 3.81Å; I525-L561 HydrophobicContact CD1-CD2 4.41Å
526T98.6Very high95.7Very high0 Ų028.6 Ų28.60%014%0.139CC..EExtended strand (participates in β ladder)trans-119.3140.2175.244.80000109.2V8 V16 I20 L172 D173 I174 M524V8-T526 CarbonylContact O-C 3.47Å; V8-T526 WeakPolarHBondContact O-CA 3.44Å; V16-T526 HydrophobicContact CB-CG2 3.9Å; V16-T526 HydrophobicContact CG1-CG2 4.21Å; I20-T526 HydrophobicContact CD1-CG2 4.48Å; I20-T526 HydrophobicContact CG1-CG2 4.32Å; L172-T526 PolarHBondContact O-N 3.21Å; D173-T526 WeakPolarHBondContact CA-OG1 3.22Å; D173-T526 WeakPolarHBondContact CB-OG1 3.42Å; D173-T526 VanDerWaalsContact CG-OG1 3.32Å; D173-T526 VanDerWaalsContact OD1-CB 3.26Å; D173-T526 WeakPolarHBondContact OD1-CB 3.37Å; D173-T526 PolarHBondContact OD1-OG1 2.99Å; I174-T526 PolarHBondContact N-O 3.17Å; M524-T526 HydrophobicContact CE-CG2 3.56Å; M524-T526 HydrophobicContact CG-CG2 4.36Å; M524-T526 HydrophobicContact SD-CG2 4.38Å
527I98.8Very high95.7Very high0 Ų028.7 Ų28.70%014%0.139CC..EExtended strand (participates in β ladder)trans-133.2125.9-179.5-58.1172.2000108.3V7 V8 V9 V10 I174 L176 I525 L548 L549 L552V7-I527 HydrophobicContact CG1-CD1 3.74Å; V7-I527 HydrophobicContact CG1-CG1 4.45Å; V8-I527 PolarHBondContact O-N 3.39Å; V9-I527 CarbonylContact C-O 3.51Å; V9-I527 VanDerWaalsContact CA-O 3.31Å; V9-I527 WeakPolarHBondContact CA-O 3.47Å; V9-I527 HydrophobicContact CB-CB 4.43Å; V9-I527 HydrophobicContact CG1-CB 4.3Å; V9-I527 HydrophobicContact CG1-CG2 4.16Å; V9-I527 HydrophobicContact CG2-CB 4.1Å; V9-I527 HydrophobicContact CG2-CD1 4.11Å; V10-I527 PolarHBondContact N-O 2.98Å; I174-I527 WeakPolarHBondContact O-CA 3.21Å; L176-I527 HydrophobicContact CD2-CG2 3.71Å; L176-I527 HydrophobicContact CG-CG2 4.08Å; I525-I527 HydrophobicContact CG2-CG1 4.3Å; I527-L548 HydrophobicContact CD1-CD2 3.73Å; I527-L548 HydrophobicContact CD1-CG 4.37Å; I527-L548 HydrophobicContact CG1-CD2 4.09Å; I527-L548 HydrophobicContact CG2-CD2 4.01Å; I527-L549 HydrophobicContact CD1-CD2 4.21Å; I527-L552 HydrophobicContact CD1-CD1 4.08Å
528A98.5Very high95.7Very high0 Ų028.9 Ų28.90%014%0.144CC..EExtended strand (participates in β ladder)trans-105.4135.7172.700000110.2H13 I174 D175 L176H13-A528 HydrophobicContact CB-CB 3.73Å; H13-A528 VanDerWaalsContact CD2-CB 3.45Å; H13-A528 WeakPolarHBondContact CD2-CB 3.28Å; I174-A528 PolarHBondContact O-N 3.09Å; D175-A528 HydrophobicContact CB-CB 4.37Å; L176-A528 WeakPolarHBondContact CG-O 3.18Å; L176-A528 PolarHBondContact N-O 3.36Å
529R98.2Very high95.9Very high23 Ų2330.1 Ų30.19%0.08716%0.158CC..  trans-84.8-36.5-179.1-63.6174.478.8-146.212.8112.3V9 V10 E11 L176 V531 T536 V541 Y567V9-R529 HydrophobicContact CG1-CG 3.86Å; V10-R529 WeakPolarHBondContact O-CG 3.43Å; V10-R529 PolarHBondContact O-N 2.91Å; E11-R529 PolarHBondContact O-N 3.34Å; E11-R529 WeakPolarHBondContact OE2-CD 3.12Å; E11-R529 IonicContact OE2-CZ 3.62Å; E11-R529 IonicContact OE2-NE 3.86Å; E11-R529 IonicContact OE2-NH1 2.72Å; E11-R529 PolarHBondContact OE2-NH1 2.93Å; L176-R529 HydrophobicContact CD1-CB 4.4Å; L176-R529 HydrophobicContact CD1-CG 4.23Å; R529-V531 HydrophobicContact CB-CG2 3.86Å; R529-V531 PolarHBondContact O-N 3.12Å; R529-T536 WeakPolarHBondContact O-CB 3.41Å; R529-T536 PolarHBondContact O-OG1 3.23Å; R529-V541 HydrophobicContact CB-CG2 4.34Å; R529-Y567 VanDerWaalsContact CD-CD1 3.47Å; R529-Y567 VanDerWaalsContact CZ-CD2 3.44Å; R529-Y567 VanDerWaalsContact CZ-CE2 3.46Å
530S96.3Very high96Very high2 Ų230.2 Ų30.21%0.01416%0.158CC..  trans51.644178.2-59.10000112.1E11 D175 D533 Y535 T536E11-S530 PolarHBondContact O-N 3.23Å; D175-S530 WeakPolarHBondContact OD1-CB 3.39Å; D175-S530 PolarHBondContact OD1-OG 3.18Å; D175-S530 WeakPolarHBondContact OD2-CB 3.26Å; D175-S530 PolarHBondContact OD2-OG 3.24Å; S530-D533 VanDerWaalsContact CA-OD1 3.23Å; S530-D533 WeakPolarHBondContact CA-OD1 3.34Å; S530-D533 WeakPolarHBondContact CB-OD1 3.38Å; S530-Y535 PolarHBondContact O-N 3.46Å; S530-T536 WeakPolarHBondContact O-CB 3.42Å; S530-T536 PolarHBondContact O-N 3.08Å
531V95.2Very high96.2Very high20 Ų2027.2 Ų27.212%0.12115%0.145CC..THydrogen-bonded Turntrans-90.2-44.1179.6-175.40000110E11 R529 G534 T538 V541E11-V531 WeakPolarHBondContact OE1-CA 3.34Å; E11-V531 WeakPolarHBondContact OE1-CB 3.5Å; E11-V531 PolarHBondContact OE1-N 3.26Å; R529-V531 HydrophobicContact CB-CG2 3.86Å; R529-V531 PolarHBondContact O-N 3.12Å; V531-G534 WeakPolarHBondContact O-CA 3.48Å; V531-G534 PolarHBondContact O-N 2.72Å; V531-T538 HydrophobicContact CG1-CG2 3.63Å; V531-V541 HydrophobicContact CG2-CB 3.89Å; V531-V541 HydrophobicContact CG2-CG1 4.08Å; V531-V541 HydrophobicContact CG2-CG2 3.46Å; V531-V541 VanDerWaalsContact CG2-CG2 3.46Å
532Y92.2Very high96.2Very high124 Ų12426 Ų2649%0.48614%0.143SC..THydrogen-bonded Turntrans-74.8-30.4-176.5-66.5-19.3000114.7E11 E568E11-Y532 HydrophobicContact CG-CD2 3.3Å; E11-Y532 HydrophobicContact CG-CE2 3.61Å; E11-Y532 HydrophobicContact CG-CG 3.91Å; E11-Y532 PolarHBondContact OE1-N 3.14Å; Y532-E568 HydrophobicContact CE2-CG 4.42Å; Y532-E568 WeakPolarHBondContact OH-CB 3.29Å; Y532-E568 PolarHBondContact OH-OE2 3.44Å
533D89.5Confident96.1Very high9 Ų928.9 Ų28.95%0.04816%0.163CC..THydrogen-bonded Turntrans-75.1-17.2168.547.542.5000112.2I68 S530 Y535I68-D533 HydrophobicContact CD1-CB 3.65Å; S530-D533 VanDerWaalsContact CA-OD1 3.23Å; S530-D533 WeakPolarHBondContact CA-OD1 3.34Å; S530-D533 WeakPolarHBondContact CB-OD1 3.38Å; D533-Y535 HydrophobicContact CB-CD2 3.94Å; D533-Y535 HydrophobicContact CB-CE2 4.03Å; D533-Y535 WeakPolarHBondContact OD1-CD2 3.49Å; D533-Y535 PolarHBondContact OD1-N 3.41Å
534G92.6Very high96.3Very high13 Ų1327.5 Ų27.513%0.13415%0.153CC..THydrogen-bonded Turntrans87.915.2170.900000114.3Q182 V531Q182-G534 WeakPolarHBondContact CG-O 3.31Å; Q182-G534 PolarHBondContact NE2-O 3.2Å; V531-G534 WeakPolarHBondContact O-CA 3.48Å; V531-G534 PolarHBondContact O-N 2.72Å
535Y95.2Very high96.3Very high3 Ų327.6 Ų27.61%0.01215%0.154CC..  trans-77.4-38.2176.4-69.1-73.6000112.7H42 I68 T181 Q182 P184 L436 L495 S530 D533H42-Y535 AromaticContact NE2-CD1 3.26Å; H42-Y535 VanDerWaalsContact NE2-CD1 3.26Å; H42-Y535 WeakPolarHBondContact NE2-CD1 3.28Å; H42-Y535 AromaticContact NE2-CE1 3.6Å; H42-Y535 AromaticContact NE2-CG 3.97Å; I68-Y535 HydrophobicContact CD1-CD2 4.22Å; I68-Y535 HydrophobicContact CD1-CE2 3.81Å; T181-Y535 CarbonylContact C-O 3.44Å; T181-Y535 VanDerWaalsContact CA-O 3.28Å; T181-Y535 WeakPolarHBondContact CA-O 3.31Å; Q182-Y535 PolarHBondContact N-O 3.44Å; P184-Y535 HydrophobicContact CG-CD1 4.42Å; P184-Y535 HydrophobicContact CG-CE1 3.89Å; P184-Y535 HydrophobicContact CG-CE2 4.32Å; L436-Y535 HydrophobicContact CB-CE2 4.21Å; L436-Y535 WeakPolarHBondContact CB-OH 3.32Å; L436-Y535 HydrophobicContact CD1-CE1 4.18Å; L436-Y535 HydrophobicContact CD1-CE2 3.91Å; L436-Y535 HydrophobicContact CD2-CE1 3.95Å; L436-Y535 HydrophobicContact CD2-CE2 4.43Å; L436-Y535 WeakPolarHBondContact CD2-OH 3.22Å; L436-Y535 HydrophobicContact CG-CE2 4.37Å; L495-Y535 HydrophobicContact CD1-CE1 4.34Å; S530-Y535 PolarHBondContact O-N 3.46Å; D533-Y535 HydrophobicContact CB-CD2 3.94Å; D533-Y535 HydrophobicContact CB-CE2 4.03Å; D533-Y535 WeakPolarHBondContact OD1-CD2 3.49Å; D533-Y535 PolarHBondContact OD1-N 3.41Å
536T96.9Very high96.2Very high0 Ų029.2 Ų29.20%016%0.162CC..SBendtrans-89.8125.7174.4-58.80000110.7L176 D177 R529 S530 T538 V541L176-T536 HydrophobicContact CB-CG2 4.23Å; D177-T536 WeakPolarHBondContact CB-OG1 3.48Å; D177-T536 PolarHBondContact N-OG1 3.19Å; R529-T536 WeakPolarHBondContact O-CB 3.41Å; R529-T536 PolarHBondContact O-OG1 3.23Å; S530-T536 WeakPolarHBondContact O-CB 3.42Å; S530-T536 PolarHBondContact O-N 3.08Å; T536-T538 PolarHBondContact O-N 3.38Å; T536-V541 HydrophobicContact CG2-CB 4.02Å; T536-V541 HydrophobicContact CG2-CG2 4.19Å
537P96.7Very high96.2Very high1 Ų130.5 Ų30.51%0.00617%0.171CC..  trans-56.7121.4174.8-26.735.7000112.6S180 I499 D539 Q540 V541S180-P537 WeakPolarHBondContact O-CD 3.41Å; I499-P537 HydrophobicContact CG1-CG 4.31Å; I499-P537 HydrophobicContact CG2-CG 4.44Å; P537-D539 PolarHBondContact O-N 3.45Å; P537-D539 VanDerWaalsContact O-N 3.11Å; P537-Q540 HydrophobicContact CB-CB 4.25Å; P537-Q540 HydrophobicContact CB-CG 4.05Å; P537-Q540 PolarHBondContact O-N 2.78Å; P537-V541 PolarHBondContact O-N 2.92Å; P537-V541 VanDerWaalsContact O-N 3.16Å
538T95.5Very high96.2Very high96 Ų9630.6 Ų30.659%0.58917%0.171SC*.THydrogen-bonded Turntrans-55.8-30.6-174.256.80000114.3V531 T536 V541V531-T538 HydrophobicContact CG1-CG2 3.63Å; T536-T538 PolarHBondContact O-N 3.38Å; T538-V541 WeakPolarHBondContact O-CG1 3.35Å
539D96.5Very high96.1Very high129 Ų12930.6 Ų30.669%0.6917%0.172SC*.THydrogen-bonded Turntrans-81.9-13.9179.963.2-54.1000113.3P537P537-D539 PolarHBondContact O-N 3.45Å; P537-D539 VanDerWaalsContact O-N 3.11Å
540Q97.7Very high96.1Very high23 Ų2333 Ų3311%0.10718%0.184CC..THydrogen-bonded Turntrans-106.3-22.6-177.1-57.2-171.6-18.200113.4S180 T500 P537 S542 S543 I544S180-Q540 PolarHBondContact OG-OE1 3.03Å; T500-Q540 PolarHBondContact O-NE2 3.41Å; P537-Q540 HydrophobicContact CB-CB 4.25Å; P537-Q540 HydrophobicContact CB-CG 4.05Å; P537-Q540 PolarHBondContact O-N 2.78Å; Q540-S542 PolarHBondContact O-N 2.93Å; Q540-S543 PolarHBondContact O-N 3.35Å; Q540-S543 VanDerWaalsContact O-N 3.12Å; Q540-S543 PolarHBondContact O-OG 3.04Å; Q540-I544 HydrophobicContact CB-CD1 3.85Å; Q540-I544 HydrophobicContact CB-CG1 4.45Å; Q540-I544 WeakPolarHBondContact O-CG1 3.06Å; Q540-I544 PolarHBondContact O-N 2.94Å
541V96.9Very high96.1Very high5 Ų533 Ų333%0.0318%0.183CC..Hα-helixtrans-50.5-49.6-17467.50000113.3L176 R529 V531 T536 P537 T538 S543 I544 Q545L176-V541 HydrophobicContact CD1-CG2 3.7Å; R529-V541 HydrophobicContact CB-CG2 4.34Å; V531-V541 HydrophobicContact CG2-CB 3.89Å; V531-V541 HydrophobicContact CG2-CG1 4.08Å; V531-V541 HydrophobicContact CG2-CG2 3.46Å; V531-V541 VanDerWaalsContact CG2-CG2 3.46Å; T536-V541 HydrophobicContact CG2-CB 4.02Å; T536-V541 HydrophobicContact CG2-CG2 4.19Å; P537-V541 PolarHBondContact O-N 2.92Å; P537-V541 VanDerWaalsContact O-N 3.16Å; T538-V541 WeakPolarHBondContact O-CG1 3.35Å; V541-S543 VanDerWaalsContact C-N 3.32Å; V541-S543 PolarHBondContact O-N 2.84Å; V541-I544 PolarHBondContact O-N 2.9Å; V541-Q545 VanDerWaalsContact O-CB 3.29Å; V541-Q545 WeakPolarHBondContact O-CB 3.29Å; V541-Q545 PolarHBondContact O-N 3.07Å
542S95.7Very high96.3Very high57 Ų5732 Ų3240%0.39918%0.177SC..Hα-helixtrans-66.1-34-175.4-59.30000112.6Q540 L546Q540-S542 PolarHBondContact O-N 2.93Å; S542-L546 WeakPolarHBondContact O-CB 3.21Å; S542-L546 PolarHBondContact O-N 3.17Å
543S96.8Very high96.5Very high64 Ų6427.5 Ų27.545%0.44816%0.162SC..Hα-helixtrans-72.7-42.2175.139.90000112.2Q540 V541 L546 S547Q540-S543 PolarHBondContact O-N 3.35Å; Q540-S543 VanDerWaalsContact O-N 3.12Å; Q540-S543 PolarHBondContact O-OG 3.04Å; V541-S543 VanDerWaalsContact C-N 3.32Å; V541-S543 PolarHBondContact O-N 2.84Å; S543-L546 PolarHBondContact O-N 3.23Å; S543-S547 WeakPolarHBondContact O-CB 3.44Å; S543-S547 PolarHBondContact O-N 2.98Å
544I98.2Very high96.8Very high6 Ų633.3 Ų33.33%0.03118%0.183CC..Hα-helixtrans-65.1-49.9179.4-64168.5000109.7L176 F179 Q540 V541 L546 S547 L548L176-I544 HydrophobicContact CB-CG2 4.27Å; L176-I544 HydrophobicContact CD2-CG2 4.07Å; F179-I544 HydrophobicContact CB-CD1 4.2Å; F179-I544 HydrophobicContact CB-CG1 4.45Å; F179-I544 HydrophobicContact CB-CG2 3.83Å; F179-I544 HydrophobicContact CD2-CG2 3.38Å; F179-I544 HydrophobicContact CE2-CG2 4.15Å; F179-I544 HydrophobicContact CG-CG2 3.76Å; Q540-I544 HydrophobicContact CB-CD1 3.85Å; Q540-I544 HydrophobicContact CB-CG1 4.45Å; Q540-I544 WeakPolarHBondContact O-CG1 3.06Å; Q540-I544 PolarHBondContact O-N 2.94Å; V541-I544 PolarHBondContact O-N 2.9Å; I544-L546 VanDerWaalsContact C-N 3.31Å; I544-L546 PolarHBondContact O-N 3.48Å; I544-S547 PolarHBondContact O-N 2.85Å; I544-L548 WeakPolarHBondContact O-CB 3.34Å; I544-L548 PolarHBondContact O-N 3.19Å
545Q98.1Very high97.1Very high5 Ų533.9 Ų33.92%0.02318%0.184CC..Hα-helixtrans-54.9-46177.5-174.6-178.8-74.500111.8L176 V541 L548 L549 Y567 D573L176-Q545 HydrophobicContact CD1-CB 3.87Å; L176-Q545 HydrophobicContact CD1-CG 4.46Å; V541-Q545 VanDerWaalsContact O-CB 3.29Å; V541-Q545 WeakPolarHBondContact O-CB 3.29Å; V541-Q545 PolarHBondContact O-N 3.07Å; Q545-L548 PolarHBondContact O-N 3.39Å; Q545-L549 HydrophobicContact CG-CD1 4.25Å; Q545-L549 WeakPolarHBondContact O-CG 3.32Å; Q545-L549 PolarHBondContact O-N 3.33Å; Q545-Y567 PolarHBondContact NE2-OH 3.2Å; Q545-D573 PolarHBondContact NE2-OD2 3.38Å
546L96.8Very high97.1Very high34 Ų3434.5 Ų34.518%0.17819%0.186CC..Hα-helixtrans-65-46178.5-176.768.6000112S542 S543 I544 L548 L549 Q550 L577 M580S542-L546 WeakPolarHBondContact O-CB 3.21Å; S542-L546 PolarHBondContact O-N 3.17Å; S543-L546 PolarHBondContact O-N 3.23Å; I544-L546 VanDerWaalsContact C-N 3.31Å; I544-L546 PolarHBondContact O-N 3.48Å; L546-L548 VanDerWaalsContact C-N 3.29Å; L546-L548 PolarHBondContact O-N 3.17Å; L546-L549 PolarHBondContact O-N 3.38Å; L546-Q550 WeakPolarHBondContact O-CB 3.34Å; L546-Q550 WeakPolarHBondContact O-CG 3.45Å; L546-Q550 PolarHBondContact O-N 3.44Å; L546-L577 HydrophobicContact CD1-CD2 4.36Å; L546-M580 HydrophobicContact CD1-CE 3.99Å; L546-M580 HydrophobicContact CD1-SD 3.71Å
547S97.7Very high97Very high27 Ų2735.8 Ų35.819%0.18920%0.2CC..Hα-helixtrans-60-43.1178.9-169.90000111S543 I544 Q550 M551S543-S547 WeakPolarHBondContact O-CB 3.44Å; S543-S547 PolarHBondContact O-N 2.98Å; I544-S547 PolarHBondContact O-N 2.85Å; S547-Q550 PolarHBondContact O-N 3.05Å; S547-M551 WeakPolarHBondContact O-CB 3.37Å; S547-M551 PolarHBondContact O-N 2.94Å
548L98.2Very high96.7Very high1 Ų140 Ų401%0.00522%0.216CC..Hα-helixtrans-61.1-49.7176178.664.4000111.8I174 L176 F179 M512 I527 I544 Q545 L546 Q550 M551 L552I174-L548 HydrophobicContact CB-CD2 4.36Å; I174-L548 HydrophobicContact CD1-CD1 3.8Å; I174-L548 HydrophobicContact CD1-CD2 4.34Å; I174-L548 HydrophobicContact CG2-CD1 4.3Å; I174-L548 HydrophobicContact CG2-CD2 3.81Å; L176-L548 HydrophobicContact CD2-CD2 3.55Å; F179-L548 HydrophobicContact CE2-CD1 4.3Å; F179-L548 HydrophobicContact CE2-CD2 4.49Å; F179-L548 HydrophobicContact CZ-CD1 4.08Å; M512-L548 HydrophobicContact SD-CD1 4.17Å; I527-L548 HydrophobicContact CD1-CD2 3.73Å; I527-L548 HydrophobicContact CD1-CG 4.37Å; I527-L548 HydrophobicContact CG1-CD2 4.09Å; I527-L548 HydrophobicContact CG2-CD2 4.01Å; I544-L548 WeakPolarHBondContact O-CB 3.34Å; I544-L548 PolarHBondContact O-N 3.19Å; Q545-L548 PolarHBondContact O-N 3.39Å; L546-L548 VanDerWaalsContact C-N 3.29Å; L546-L548 PolarHBondContact O-N 3.17Å; L548-Q550 VanDerWaalsContact C-N 3.28Å; L548-Q550 PolarHBondContact O-N 3.47Å; L548-M551 HydrophobicContact CD1-CE 3.5Å; L548-M551 WeakPolarHBondContact O-CB 3.39Å; L548-M551 PolarHBondContact O-N 3.23Å; L548-M551 VanDerWaalsContact O-N 3.09Å; L548-L552 HydrophobicContact CG-CD1 4.46Å; L548-L552 WeakPolarHBondContact O-CG 3.39Å; L548-L552 PolarHBondContact O-N 3.05Å
549L97.8Very high96.3Very high1 Ų143.1 Ų43.11%0.00523%0.229CC..Hα-helixtrans-62.5-35.6178.2-70.9171.5000112.4V7 I527 Q545 L546 L552 D553 V563 L577 F582V7-L549 HydrophobicContact CG1-CD2 4.15Å; I527-L549 HydrophobicContact CD1-CD2 4.21Å; Q545-L549 HydrophobicContact CG-CD1 4.25Å; Q545-L549 WeakPolarHBondContact O-CG 3.32Å; Q545-L549 PolarHBondContact O-N 3.33Å; L546-L549 PolarHBondContact O-N 3.38Å; L549-L552 HydrophobicContact CD2-CD1 4.46Å; L549-L552 PolarHBondContact O-N 3.31Å; L549-D553 PolarHBondContact O-N 3.46Å; L549-V563 HydrophobicContact CD2-CG1 4.5Å; L549-L577 HydrophobicContact CD1-CD1 3.73Å; L549-L577 HydrophobicContact CD1-CD2 3.75Å; L549-L577 HydrophobicContact CD1-CG 4.36Å; L549-F582 HydrophobicContact CB-CZ 4.37Å
550Q97.1Very high96.1Very high74 Ų7439.6 Ų39.635%0.34621%0.209SC..Hα-helixtrans-68.6-35.6173.1-72.3178.6-43.600112.6L546 S547 L548 D553 R554 M580L546-Q550 WeakPolarHBondContact O-CB 3.34Å; L546-Q550 WeakPolarHBondContact O-CG 3.45Å; L546-Q550 PolarHBondContact O-N 3.44Å; S547-Q550 PolarHBondContact O-N 3.05Å; L548-Q550 VanDerWaalsContact C-N 3.28Å; L548-Q550 PolarHBondContact O-N 3.47Å; Q550-D553 WeakPolarHBondContact O-CB 3.43Å; Q550-D553 PolarHBondContact O-N 3.38Å; Q550-R554 WeakPolarHBondContact O-CG 3.48Å; Q550-R554 PolarHBondContact O-N 3.37Å; Q550-R554 VanDerWaalsContact O-N 3.1Å; Q550-R554 PolarHBondContact O-NH1 3.11Å; Q550-M580 HydrophobicContact CG-CE 3.82Å
551M97.9Very high96.1Very high0 Ų038.6 Ų38.60%021%0.205CC..Hα-helixtrans-64.4-46.6172.6-179.5-77.8-63.500110.8M512 E513 L516 S547 L548 D553 R554 V555M512-M551 HydrophobicContact CG-CE 4.34Å; M512-M551 HydrophobicContact SD-CE 3.88Å; E513-M551 HydrophobicContact CB-CG 3.66Å; E513-M551 HydrophobicContact CB-SD 4Å; E513-M551 HydrophobicContact CG-CG 3.99Å; E513-M551 HydrophobicContact CG-SD 4.34Å; L516-M551 HydrophobicContact CD1-CE 3.8Å; L516-M551 HydrophobicContact CD1-SD 3.96Å; S547-M551 WeakPolarHBondContact O-CB 3.37Å; S547-M551 PolarHBondContact O-N 2.94Å; L548-M551 HydrophobicContact CD1-CE 3.5Å; L548-M551 WeakPolarHBondContact O-CB 3.39Å; L548-M551 PolarHBondContact O-N 3.23Å; L548-M551 VanDerWaalsContact O-N 3.09Å; M551-D553 VanDerWaalsContact C-N 3.27Å; M551-D553 PolarHBondContact O-N 3.4Å; M551-R554 WeakPolarHBondContact O-CA 3.21Å; M551-R554 WeakPolarHBondContact O-CB 3.39Å; M551-R554 PolarHBondContact O-N 3.09Å; M551-V555 WeakPolarHBondContact O-CG2 3.49Å; M551-V555 PolarHBondContact O-N 3.29Å; M551-V555 HydrophobicContact SD-CG2 3.57Å; M551-V555 VanDerWaalsContact SD-CG2 3.57Å
552L98.1Very high96Very high0 Ų039 Ų390%021%0.208CC..Hα-helixtrans-60.3-37.2176.2-65.8177.3000112.2V7 L172 L516 I525 I527 L548 L549 V555 Y556 L561V7-L552 HydrophobicContact CG1-CD1 4.4Å; L172-L552 HydrophobicContact CD2-CD2 4.25Å; L516-L552 HydrophobicContact CD1-CD2 4.36Å; I525-L552 HydrophobicContact CD1-CD1 4.41Å; I525-L552 HydrophobicContact CD1-CD2 4.16Å; I525-L552 HydrophobicContact CG2-CD1 4.15Å; I527-L552 HydrophobicContact CD1-CD1 4.08Å; L548-L552 HydrophobicContact CG-CD1 4.46Å; L548-L552 WeakPolarHBondContact O-CG 3.39Å; L548-L552 PolarHBondContact O-N 3.05Å; L549-L552 HydrophobicContact CD2-CD1 4.46Å; L549-L552 PolarHBondContact O-N 3.31Å; L552-V555 PolarHBondContact O-N 2.98Å; L552-Y556 HydrophobicContact CD2-CD2 4.12Å; L552-Y556 HydrophobicContact CD2-CE2 3.81Å; L552-Y556 PolarHBondContact O-N 3.13Å; L552-L561 HydrophobicContact CB-CD1 4.04Å
553D96.7Very high96.1Very high29 Ų2936.3 Ų36.316%0.15519%0.189CC..Hα-helixtrans-60.8-43.7171.1179.216.1000111.8L549 Q550 M551 V555 G557 R558 F582L549-D553 PolarHBondContact O-N 3.46Å; Q550-D553 WeakPolarHBondContact O-CB 3.43Å; Q550-D553 PolarHBondContact O-N 3.38Å; M551-D553 VanDerWaalsContact C-N 3.27Å; M551-D553 PolarHBondContact O-N 3.4Å; D553-V555 PolarHBondContact O-N 3.14Å; D553-G557 WeakPolarHBondContact O-CA 3.47Å; D553-G557 PolarHBondContact O-N 3.43Å; D553-R558 WeakPolarHBondContact OD1-CA 3.31Å; D553-R558 VanDerWaalsContact OD1-CB 3.25Å; D553-R558 WeakPolarHBondContact OD1-CB 3.2Å; D553-R558 PolarHBondContact OD1-N 2.66Å; D553-R558 IonicContact OD1-NE 3.83Å; D553-R558 IonicContact OD2-CZ 3.23Å; D553-R558 VanDerWaalsContact OD2-CZ 3.23Å; D553-R558 IonicContact OD2-NE 2.92Å; D553-R558 PolarHBondContact OD2-NE 3.14Å; D553-R558 IonicContact OD2-NH2 2.7Å; D553-R558 PolarHBondContact OD2-NH2 3.38Å; D553-F582 HydrophobicContact CB-CE1 4.23Å; D553-F582 HydrophobicContact CB-CZ 3.99Å
554R96.8Very high96.1Very high131 Ų13133.3 Ų33.349%0.49417%0.168SC..Hα-helixtrans-64.2-40.4176.5-69.4-172-60.1-87.99.8113E513 Q550 M551E513-R554 IonicContact OE1-NE 3.07Å; E513-R554 PolarHBondContact OE1-NE 2.88Å; E513-R554 VanDerWaalsContact OE1-NE 3.07Å; E513-R554 IonicContact OE2-CZ 3.34Å; E513-R554 IonicContact OE2-NE 3.1Å; E513-R554 PolarHBondContact OE2-NE 3.12Å; E513-R554 VanDerWaalsContact OE2-NE 3.1Å; E513-R554 IonicContact OE2-NH2 2.73Å; E513-R554 PolarHBondContact OE2-NH2 3.05Å; Q550-R554 WeakPolarHBondContact O-CG 3.48Å; Q550-R554 PolarHBondContact O-N 3.37Å; Q550-R554 VanDerWaalsContact O-N 3.1Å; Q550-R554 PolarHBondContact O-NH1 3.11Å; M551-R554 WeakPolarHBondContact O-CA 3.21Å; M551-R554 WeakPolarHBondContact O-CB 3.39Å; M551-R554 PolarHBondContact O-N 3.09Å
555V97.2Very high96.1Very high26 Ų2633.3 Ų33.316%0.15817%0.168CC..Hα-helixtrans-74.9-50.8-176.9176.50000112E513 L516 M551 L552 D553E513-V555 HydrophobicContact CG-CG2 3.82Å; L516-V555 HydrophobicContact CB-CG1 3.92Å; L516-V555 HydrophobicContact CB-CG2 4.35Å; M551-V555 WeakPolarHBondContact O-CG2 3.49Å; M551-V555 PolarHBondContact O-N 3.29Å; M551-V555 HydrophobicContact SD-CG2 3.57Å; M551-V555 VanDerWaalsContact SD-CG2 3.57Å; L552-V555 PolarHBondContact O-N 2.98Å; D553-V555 PolarHBondContact O-N 3.14Å
556Y96.1Very high96.1Very high15 Ų1535.9 Ų35.96%0.05918%0.182CC..Hα-helixtrans-104.6-19.7-170.9-59.3-62.5000113.8I5 L172 P522 I525 L552 L560 L561I5-Y556 HydrophobicContact CD1-CD1 4.04Å; I5-Y556 HydrophobicContact CD1-CG 4.04Å; L172-Y556 HydrophobicContact CD2-CE2 4.3Å; P522-Y556 VanDerWaalsContact CD-CZ 3.45Å; P522-Y556 WeakPolarHBondContact CD-OH 3.42Å; P522-Y556 HydrophobicContact CG-CE1 4.32Å; P522-Y556 HydrophobicContact CG-CE2 4.37Å; I525-Y556 HydrophobicContact CD1-CD2 4Å; I525-Y556 HydrophobicContact CD1-CE2 3.81Å; L552-Y556 HydrophobicContact CD2-CD2 4.12Å; L552-Y556 HydrophobicContact CD2-CE2 3.81Å; L552-Y556 PolarHBondContact O-N 3.13Å; Y556-L560 WeakPolarHBondContact O-CD1 3.43Å; Y556-L561 HydrophobicContact CD2-CD2 4.42Å
557G94Very high96Very high28 Ų2835.3 Ų35.329%0.28918%0.178SC..  trans83.6126.5-174.800000112.9D553 N559 L560D553-G557 WeakPolarHBondContact O-CA 3.47Å; D553-G557 PolarHBondContact O-N 3.43Å; G557-N559 VanDerWaalsContact C-N 3.25Å; G557-N559 PolarHBondContact O-N 2.9Å; G557-L560 PolarHBondContact O-N 3.21Å
558R90.4Very high95.8Very high90 Ų9039.1 Ų39.134%0.3419%0.193SC..G310 helixtrans-44.3-43.1-179.2-151.1173.3-58.3146.46115.7D553 L560 L561 M580 G581 F582D553-R558 WeakPolarHBondContact OD1-CA 3.31Å; D553-R558 VanDerWaalsContact OD1-CB 3.25Å; D553-R558 WeakPolarHBondContact OD1-CB 3.2Å; D553-R558 PolarHBondContact OD1-N 2.66Å; D553-R558 IonicContact OD1-NE 3.83Å; D553-R558 IonicContact OD2-CZ 3.23Å; D553-R558 VanDerWaalsContact OD2-CZ 3.23Å; D553-R558 IonicContact OD2-NE 2.92Å; D553-R558 PolarHBondContact OD2-NE 3.14Å; D553-R558 IonicContact OD2-NH2 2.7Å; D553-R558 PolarHBondContact OD2-NH2 3.38Å; R558-L560 PolarHBondContact O-N 3.12Å; R558-L561 PolarHBondContact O-N 2.7Å; R558-M580 PolarHBondContact NH1-O 2.87Å; R558-G581 VanDerWaalsContact CD-C 3.47Å; R558-G581 WeakPolarHBondContact CD-O 3.29Å; R558-F582 HydrophobicContact CG-CD1 3.89Å; R558-F582 HydrophobicContact CG-CE1 4.08Å; R558-F582 HydrophobicContact CG-CG 4.18Å
559N88.6Confident95.4Very high160 Ų16044.8 Ų44.886%0.85622%0.223SC*.G310 helixtrans-68.1-15.5-175.7-63.8-30.2000113.2G557G557-N559 VanDerWaalsContact C-N 3.25Å; G557-N559 PolarHBondContact O-N 2.9Å
560L92.4Very high95.2Very high55 Ų5545 Ų4529%0.28823%0.225SC..G310 helixtrans-97.2-1175-64.5-175.9000112.4P4 I5 Y556 G557 R558P4-L560 CarbonylContact C-O 3.58Å; P4-L560 VanDerWaalsContact CA-O 3.29Å; P4-L560 WeakPolarHBondContact CA-O 3.46Å; P4-L560 WeakPolarHBondContact CB-O 3.28Å; I5-L560 PolarHBondContact N-O 2.86Å; Y556-L560 WeakPolarHBondContact O-CD1 3.43Å; G557-L560 PolarHBondContact O-N 3.21Å; R558-L560 PolarHBondContact O-N 3.12Å
561L95.9Very high95.1Very high2 Ų248 Ų481%0.0124%0.239CC..EExtended strand (participates in β ladder)trans-106.8130.2-179.2-57.8-179.8000110.7I5 V7 I525 L552 Y556 R558 F582I5-L561 HydrophobicContact CB-CD2 4.14Å; I5-L561 HydrophobicContact CD1-CD2 4.4Å; V7-L561 HydrophobicContact CG2-CB 4.31Å; V7-L561 HydrophobicContact CG2-CD2 3.94Å; I525-L561 HydrophobicContact CD1-CD2 4.41Å; L552-L561 HydrophobicContact CB-CD1 4.04Å; Y556-L561 HydrophobicContact CD2-CD2 4.42Å; R558-L561 PolarHBondContact O-N 2.7Å; L561-F582 HydrophobicContact CD1-CE1 4.45Å
562S95.7Very high94.9Very high15 Ų1551.9 Ų51.911%0.10527%0.266CS..EExtended strand (participates in β ladder)trans-114.7112.3167.2-72.70000108.7P4 I5 V7 H583P4-S562 WeakPolarHBondContact CG-OG 3.29Å; I5-S562 PolarHBondContact O-N 3.2Å; V7-S562 PolarHBondContact N-O 2.99Å; S562-H583 PolarHBondContact OG-ND1 3.3Å
563V97.5Very high94.7Very high0 Ų052.8 Ų52.80%027%0.271CS..EExtended strand (participates in β ladder)trans-97.2129.4-173.3-174.10000110.2V7 L549 L565 L577 F582 H583 I584 V585V7-V563 HydrophobicContact CB-CG2 4.22Å; V7-V563 CarbonylContact O-C 3.59Å; V7-V563 WeakPolarHBondContact O-CA 3.48Å; L549-V563 HydrophobicContact CD2-CG1 4.5Å; V563-L565 HydrophobicContact CG1-CD2 3.7Å; V563-L565 HydrophobicContact CG1-CG 4.24Å; V563-L577 HydrophobicContact CG1-CD1 4.42Å; V563-F582 HydrophobicContact CG2-CD1 4Å; V563-H583 PolarHBondContact N-O 2.86Å; V563-I584 HydrophobicContact CB-CD1 3.9Å; V563-I584 HydrophobicContact CG1-CD1 4.35Å; V563-I584 CarbonylContact O-C 3.59Å; V563-I584 WeakPolarHBondContact O-CA 3.49Å; V563-V585 PolarHBondContact O-N 3.36Å
564T97.6Very high94.7Very high1 Ų153.9 Ų53.91%0.00628%0.276CS..EExtended strand (participates in β ladder)trans-116.4123.1171.2-54.50000107.8V7 V9 Y19 V585 P587 F590V7-T564 PolarHBondContact O-N 2.63Å; V9-T564 PolarHBondContact N-O 3.29Å; Y19-T564 HydrophobicContact CE1-CG2 4.25Å; T564-V585 WeakPolarHBondContact CA-O 3.5Å; T564-P587 HydrophobicContact CG2-CB 4.45Å; T564-P587 HydrophobicContact CG2-CG 4.11Å; T564-F590 HydrophobicContact CG2-CB 4.34Å
565L97.9Very high94.6Very high6 Ų654.2 Ų54.23%0.03128%0.284CS..EExtended strand (participates in β ladder)trans-107.3117.6175.7-56.9-176.1000107.9V9 V563 Y567 A570 D573 I574 L577V9-L565 HydrophobicContact CB-CD2 3.59Å; V9-L565 HydrophobicContact CG1-CD2 4.33Å; V9-L565 HydrophobicContact CG2-CD2 3.41Å; V9-L565 VanDerWaalsContact CG2-CD2 3.41Å; V563-L565 HydrophobicContact CG1-CD2 3.7Å; V563-L565 HydrophobicContact CG1-CG 4.24Å; L565-Y567 HydrophobicContact CB-CD1 4.41Å; L565-Y567 HydrophobicContact CB-CE1 3.74Å; L565-Y567 HydrophobicContact CD2-CE1 4.01Å; L565-Y567 HydrophobicContact CG-CE1 4.28Å; L565-A570 HydrophobicContact CB-CB 4.03Å; L565-D573 HydrophobicContact CD1-CB 3.89Å; L565-I574 HydrophobicContact CB-CG1 4.38Å; L565-I574 HydrophobicContact CD1-CG1 3.72Å; L565-I574 HydrophobicContact CG-CG1 4.39Å; L565-L577 HydrophobicContact CD1-CD1 3.8Å; L565-L577 HydrophobicContact CD2-CD1 4.4Å; L565-L577 HydrophobicContact CG-CD1 4.48Å
566D97.2Very high94.5Very high58 Ų5857 Ų5731%0.3129%0.294SS..EExtended strand (participates in β ladder)trans-12878.9-178.1-170.721.6000110.3V9 V10 Y19 P587V9-D566 PolarHBondContact O-N 3.18Å; V10-D566 WeakPolarHBondContact CA-O 3.28Å; Y19-D566 HydrophobicContact CE2-CB 4.44Å; Y19-D566 WeakPolarHBondContact CE2-OD2 3.47Å; Y19-D566 VanDerWaalsContact OH-CB 3.28Å; Y19-D566 WeakPolarHBondContact OH-CB 3.49Å; Y19-D566 PolarHBondContact OH-OD2 3.14Å; D566-P587 HydrophobicContact CB-CG 3.92Å
567Y95.9Very high94.5Very high22 Ų2256.5 Ų56.59%0.08629%0.292CS..SBendtrans-159.5162.217653.5-94.5000109.5V9 R529 Q545 L565 A570 D573V9-Y567 HydrophobicContact CB-CE1 4.14Å; V9-Y567 HydrophobicContact CG1-CD1 4.14Å; V9-Y567 HydrophobicContact CG1-CE1 3.74Å; R529-Y567 VanDerWaalsContact CD-CD1 3.47Å; R529-Y567 VanDerWaalsContact CZ-CD2 3.44Å; R529-Y567 VanDerWaalsContact CZ-CE2 3.46Å; Q545-Y567 PolarHBondContact NE2-OH 3.2Å; L565-Y567 HydrophobicContact CB-CD1 4.41Å; L565-Y567 HydrophobicContact CB-CE1 3.74Å; L565-Y567 HydrophobicContact CD2-CE1 4.01Å; L565-Y567 HydrophobicContact CG-CE1 4.28Å; Y567-A570 HydrophobicContact CD2-CB 3.8Å; Y567-A570 HydrophobicContact CE1-CB 4.29Å; Y567-A570 VanDerWaalsContact CE2-CA 3.5Å; Y567-A570 HydrophobicContact CE2-CB 3.53Å; Y567-A570 HydrophobicContact CG-CB 4.3Å; Y567-A570 WeakPolarHBondContact O-CB 3Å; Y567-A570 PolarHBondContact O-N 3.26Å; Y567-D573 WeakPolarHBondContact OH-CB 3.48Å; Y567-D573 PolarHBondContact OH-OD2 3.1Å
568E92.3Very high94.5Very high108 Ų10859.2 Ų59.251%0.50530%0.3SS..THydrogen-bonded Turntrans-66.5141.9-178.8-52.8-172.9165.800111.9Y532 A570Y532-E568 HydrophobicContact CE2-CG 4.42Å; Y532-E568 WeakPolarHBondContact OH-CB 3.29Å; Y532-E568 PolarHBondContact OH-OE2 3.44Å; E568-A570 VanDerWaalsContact C-N 3.27Å; E568-A570 PolarHBondContact O-N 3.44Å
569N90.3Very high94.7Very high119 Ų11960.2 Ų60.264%0.63632%0.316SS*.THydrogen-bonded Turntrans64.625-179.6-46.7-73.9000114.4E571N569-E571 WeakPolarHBondContact CA-OE2 3.23Å; N569-E571 PolarHBondContact O-N 2.87Å
570A94.4Very high94.9Very high7 Ų755 Ų556%0.05829%0.287CS..THydrogen-bonded Turntrans-65.6-13.6177.200000114.1L565 Y567 E568 S572 D573 I574L565-A570 HydrophobicContact CB-CB 4.03Å; Y567-A570 HydrophobicContact CD2-CB 3.8Å; Y567-A570 HydrophobicContact CE1-CB 4.29Å; Y567-A570 VanDerWaalsContact CE2-CA 3.5Å; Y567-A570 HydrophobicContact CE2-CB 3.53Å; Y567-A570 HydrophobicContact CG-CB 4.3Å; Y567-A570 WeakPolarHBondContact O-CB 3Å; Y567-A570 PolarHBondContact O-N 3.26Å; E568-A570 VanDerWaalsContact C-N 3.27Å; E568-A570 PolarHBondContact O-N 3.44Å; A570-S572 VanDerWaalsContact C-N 3.27Å; A570-S572 PolarHBondContact O-N 3.38Å; A570-D573 PolarHBondContact O-N 3.2Å; A570-I574 HydrophobicContact CB-CD1 4.28Å; A570-I574 VanDerWaalsContact O-CG1 3.31Å; A570-I574 WeakPolarHBondContact O-CG1 3.26Å; A570-I574 PolarHBondContact O-N 2.84Å
571E94.4Very high95Very high135 Ų13554.6 Ų54.663%0.63130%0.296SS*.Hα-helixtrans-57.9-38.8-173.7-60.485.3171.800112.7N569 I574 E575N569-E571 WeakPolarHBondContact CA-OE2 3.23Å; N569-E571 PolarHBondContact O-N 2.87Å; E571-I574 PolarHBondContact O-N 3Å; E571-E575 PolarHBondContact O-N 2.75Å
572S92.7Very high94.9Very high82 Ų8254.8 Ų54.857%0.57330%0.297SS*.Hα-helixtrans-65.1-41.8177.5176.20000111.9A570 K576A570-S572 VanDerWaalsContact C-N 3.27Å; A570-S572 PolarHBondContact O-N 3.38Å; S572-K576 WeakPolarHBondContact O-CB 3.28Å; S572-K576 PolarHBondContact O-N 2.84Å; S572-K576 VanDerWaalsContact O-N 3.1Å
573D95.3Very high94.8Very high20 Ų2059.2 Ų59.211%0.10732%0.316CS..Hα-helixtrans-72.8-36178.5-76.6-21.9000110.9Q545 L565 Y567 A570 K576 L577Q545-D573 PolarHBondContact NE2-OD2 3.38Å; L565-D573 HydrophobicContact CD1-CB 3.89Å; Y567-D573 WeakPolarHBondContact OH-CB 3.48Å; Y567-D573 PolarHBondContact OH-OD2 3.1Å; A570-D573 PolarHBondContact O-N 3.2Å; D573-K576 PolarHBondContact O-N 3.4Å; D573-L577 WeakPolarHBondContact O-CB 3.25Å; D573-L577 WeakPolarHBondContact O-CG 3.45Å; D573-L577 PolarHBondContact O-N 3.49Å
574I95.6Very high94.7Very high51 Ų5160.8 Ų60.826%0.26232%0.324SS..Hα-helixtrans-58.9-49.7171.9-69.3170000110.8L565 A570 E571 K576 L577 N578 I584L565-I574 HydrophobicContact CB-CG1 4.38Å; L565-I574 HydrophobicContact CD1-CG1 3.72Å; L565-I574 HydrophobicContact CG-CG1 4.39Å; A570-I574 HydrophobicContact CB-CD1 4.28Å; A570-I574 VanDerWaalsContact O-CG1 3.31Å; A570-I574 WeakPolarHBondContact O-CG1 3.26Å; A570-I574 PolarHBondContact O-N 2.84Å; E571-I574 PolarHBondContact O-N 3Å; I574-K576 PolarHBondContact O-N 3.42Å; I574-L577 PolarHBondContact O-N 3.45Å; I574-N578 WeakPolarHBondContact CG2-ND2 3.39Å; I574-N578 WeakPolarHBondContact O-CB 3.21Å; I574-N578 PolarHBondContact O-N 3.01Å; I574-N578 PolarHBondContact O-ND2 2.71Å; I574-I584 HydrophobicContact CG1-CG2 4.28Å; I574-I584 HydrophobicContact CG2-CG2 4.16Å
575E95Very high94.5Very high139 Ų13961.8 Ų61.865%0.6533%0.33SS*.Hα-helixtrans-58.6-49.5178.3-175.4177.5-176.700110.5E571 L577 N578 T579E571-E575 PolarHBondContact O-N 2.75Å; E575-L577 PolarHBondContact O-N 2.95Å; E575-N578 WeakPolarHBondContact O-CB 3.31Å; E575-N578 PolarHBondContact O-N 3.27Å; E575-T579 WeakPolarHBondContact O-CG2 3.24Å; E575-T579 PolarHBondContact O-N 2.88Å
576K94.7Very high94.3Very high85 Ų8564.2 Ų64.237%0.3735%0.345SS..Hα-helixtrans-58.9-48.4179.1-173.7176.8-178.6177.50112.3S572 D573 I574 N578 T579 M580S572-K576 WeakPolarHBondContact O-CB 3.28Å; S572-K576 PolarHBondContact O-N 2.84Å; S572-K576 VanDerWaalsContact O-N 3.1Å; D573-K576 PolarHBondContact O-N 3.4Å; I574-K576 PolarHBondContact O-N 3.42Å; K576-N578 VanDerWaalsContact C-N 3.34Å; K576-N578 PolarHBondContact O-N 3.48Å; K576-T579 PolarHBondContact O-N 3.49Å; K576-T579 PolarHBondContact O-OG1 3.39Å; K576-M580 HydrophobicContact CG-SD 4.46Å; K576-M580 WeakPolarHBondContact O-CG 3.39Å; K576-M580 PolarHBondContact O-N 3.25Å
577L95.5Very high94.1Very high4 Ų462.4 Ų62.42%0.02134%0.337CS..Hα-helixtrans-66.3-35.9179.5-68.6175.6000112.4L546 L549 V563 L565 D573 I574 E575 T579 M580 G581 F582 I584L546-L577 HydrophobicContact CD1-CD2 4.36Å; L549-L577 HydrophobicContact CD1-CD1 3.73Å; L549-L577 HydrophobicContact CD1-CD2 3.75Å; L549-L577 HydrophobicContact CD1-CG 4.36Å; V563-L577 HydrophobicContact CG1-CD1 4.42Å; L565-L577 HydrophobicContact CD1-CD1 3.8Å; L565-L577 HydrophobicContact CD2-CD1 4.4Å; L565-L577 HydrophobicContact CG-CD1 4.48Å; D573-L577 WeakPolarHBondContact O-CB 3.25Å; D573-L577 WeakPolarHBondContact O-CG 3.45Å; D573-L577 PolarHBondContact O-N 3.49Å; I574-L577 PolarHBondContact O-N 3.45Å; E575-L577 PolarHBondContact O-N 2.95Å; L577-T579 VanDerWaalsContact C-N 3.35Å; L577-T579 PolarHBondContact O-N 2.92Å; L577-M580 CarbonylContact O-C 3.55Å; L577-M580 PolarHBondContact O-N 3.41Å; L577-M580 VanDerWaalsContact O-N 3.14Å; L577-G581 PolarHBondContact O-N 3.41Å; L577-G581 VanDerWaalsContact O-N 3.14Å; L577-F582 HydrophobicContact CB-CB 4.14Å; L577-F582 HydrophobicContact CB-CD2 4.26Å; L577-F582 HydrophobicContact CB-CG 4.47Å; L577-F582 HydrophobicContact CD2-CD2 3.78Å; L577-F582 HydrophobicContact CD2-CE2 4Å; L577-F582 HydrophobicContact CD2-CG 4.35Å; L577-F582 PolarHBondContact O-N 3.16Å; L577-I584 HydrophobicContact CB-CD1 3.84Å; L577-I584 HydrophobicContact CD1-CD1 4.09Å
578N94.3Very high93.8Very high84 Ų8466.6 Ų66.645%0.44936%0.357SS..Hα-helixtrans-60.5-42.9171.6-81.5-44.8000111.5I574 E575 K576 M580 G581 I584I574-N578 WeakPolarHBondContact CG2-ND2 3.39Å; I574-N578 WeakPolarHBondContact O-CB 3.21Å; I574-N578 PolarHBondContact O-N 3.01Å; I574-N578 PolarHBondContact O-ND2 2.71Å; E575-N578 WeakPolarHBondContact O-CB 3.31Å; E575-N578 PolarHBondContact O-N 3.27Å; K576-N578 VanDerWaalsContact C-N 3.34Å; K576-N578 PolarHBondContact O-N 3.48Å; N578-M580 PolarHBondContact O-N 3.27Å; N578-G581 WeakPolarHBondContact O-CA 3.43Å; N578-G581 PolarHBondContact O-N 3.44Å; N578-I584 WeakPolarHBondContact OD1-CG1 3.37Å
579T94.7Very high93.6Very high112 Ų11266.5 Ų66.569%0.68736%0.356SS*.Hα-helixtrans-63.6-26.817670.10000113.3E575 K576 L577 G581E575-T579 WeakPolarHBondContact O-CG2 3.24Å; E575-T579 PolarHBondContact O-N 2.88Å; K576-T579 PolarHBondContact O-N 3.49Å; K576-T579 PolarHBondContact O-OG1 3.39Å; L577-T579 VanDerWaalsContact C-N 3.35Å; L577-T579 PolarHBondContact O-N 2.92Å; T579-G581 VanDerWaalsContact C-N 3.29Å
580M93.8Very high93.4Very high50 Ų5062.4 Ų62.425%0.24633%0.333CS..THydrogen-bonded Turntrans-83.6-5.6174.7-63.9173.769.200112.9L546 Q550 R558 K576 L577 N578 F582L546-M580 HydrophobicContact CD1-CE 3.99Å; L546-M580 HydrophobicContact CD1-SD 3.71Å; Q550-M580 HydrophobicContact CG-CE 3.82Å; R558-M580 PolarHBondContact NH1-O 2.87Å; K576-M580 HydrophobicContact CG-SD 4.46Å; K576-M580 WeakPolarHBondContact O-CG 3.39Å; K576-M580 PolarHBondContact O-N 3.25Å; L577-M580 CarbonylContact O-C 3.55Å; L577-M580 PolarHBondContact O-N 3.41Å; L577-M580 VanDerWaalsContact O-N 3.14Å; N578-M580 PolarHBondContact O-N 3.27Å; M580-F582 HydrophobicContact CB-CD2 3.93Å; M580-F582 HydrophobicContact CB-CE2 4.12Å; M580-F582 HydrophobicContact CE-CE2 4.2Å
581G93.9Very high92.9Very high46 Ų4667 Ų6747%0.47435%0.353SS..THydrogen-bonded Turntrans82.522.1177.500000114.7R558 L577 N578 T579R558-G581 VanDerWaalsContact CD-C 3.47Å; R558-G581 WeakPolarHBondContact CD-O 3.29Å; L577-G581 PolarHBondContact O-N 3.41Å; L577-G581 VanDerWaalsContact O-N 3.14Å; N578-G581 WeakPolarHBondContact O-CA 3.43Å; N578-G581 PolarHBondContact O-N 3.44Å; T579-G581 VanDerWaalsContact C-N 3.29Å
582F94.4Very high92Very high6 Ų665.9 Ų65.93%0.02635%0.349CS..  trans-71.5144.7169.7-76.9-90.6000110.6L549 D553 R558 L561 V563 L577 M580 I584L549-F582 HydrophobicContact CB-CZ 4.37Å; D553-F582 HydrophobicContact CB-CE1 4.23Å; D553-F582 HydrophobicContact CB-CZ 3.99Å; R558-F582 HydrophobicContact CG-CD1 3.89Å; R558-F582 HydrophobicContact CG-CE1 4.08Å; R558-F582 HydrophobicContact CG-CG 4.18Å; L561-F582 HydrophobicContact CD1-CE1 4.45Å; V563-F582 HydrophobicContact CG2-CD1 4Å; L577-F582 HydrophobicContact CB-CB 4.14Å; L577-F582 HydrophobicContact CB-CD2 4.26Å; L577-F582 HydrophobicContact CB-CG 4.47Å; L577-F582 HydrophobicContact CD2-CD2 3.78Å; L577-F582 HydrophobicContact CD2-CE2 4Å; L577-F582 HydrophobicContact CD2-CG 4.35Å; L577-F582 PolarHBondContact O-N 3.16Å; M580-F582 HydrophobicContact CB-CD2 3.93Å; M580-F582 HydrophobicContact CB-CE2 4.12Å; M580-F582 HydrophobicContact CE-CE2 4.2Å; F582-I584 HydrophobicContact CB-CD1 4.01Å; F582-I584 PolarHBondContact O-N 2.88Å
583H93.6Very high90.5Very high109 Ų10965 Ų6551%0.50535%0.354SS..EExtended strand (participates in β ladder)trans-83.3107.4171.9176.7-102.5000109.4S562 V563 V585S562-H583 PolarHBondContact OG-ND1 3.3Å; V563-H583 PolarHBondContact N-O 2.86Å; H583-V585 WeakPolarHBondContact CE1-CG2 3.43Å
584I95.4Very high88.4Confident33 Ų3365.8 Ų65.817%0.16937%0.366CS..EExtended strand (participates in β ladder)trans-94.9135.7179.5-51.8-54.1000110.2V563 I574 L577 N578 F582V563-I584 HydrophobicContact CB-CD1 3.9Å; V563-I584 HydrophobicContact CG1-CD1 4.35Å; V563-I584 CarbonylContact O-C 3.59Å; V563-I584 WeakPolarHBondContact O-CA 3.49Å; I574-I584 HydrophobicContact CG1-CG2 4.28Å; I574-I584 HydrophobicContact CG2-CG2 4.16Å; L577-I584 HydrophobicContact CB-CD1 3.84Å; L577-I584 HydrophobicContact CD1-CD1 4.09Å; N578-I584 WeakPolarHBondContact OD1-CG1 3.37Å; F582-I584 HydrophobicContact CB-CD1 4.01Å; F582-I584 PolarHBondContact O-N 2.88Å
585V93.6Very high85.7Confident22 Ų2272.5 Ų72.513%0.13339%0.388CS..  trans-122.4137.8176.3-179.50000107.9V563 T564 H583 E589 F590V563-V585 PolarHBondContact O-N 3.36Å; T564-V585 WeakPolarHBondContact CA-O 3.5Å; H583-V585 WeakPolarHBondContact CE1-CG2 3.43Å; V585-E589 HydrophobicContact CG1-CB 3.62Å; V585-F590 HydrophobicContact CG1-CB 4.45Å
586T93.3Very high82.7Confident57 Ų5777.3 Ų77.335%0.3540%0.4SS..  trans-75.4154.6178.286.10000111.4E588 E589 F590T586-E588 VanDerWaalsContact CB-OE2 3.26Å; T586-E588 WeakPolarHBondContact CB-OE2 3.38Å; T586-E588 PolarHBondContact O-N 2.71Å; T586-E588 PolarHBondContact OG1-N 3.32Å; T586-E588 PolarHBondContact OG1-OE2 3.37Å; T586-E589 HydrophobicContact CG2-CG 4.46Å; T586-E589 PolarHBondContact N-OE2 3.49Å; T586-E589 PolarHBondContact O-N 2.92Å; T586-E589 VanDerWaalsContact O-N 3.11Å; T586-E589 WeakPolarHBondContact OG1-CG 3.32Å; T586-E589 PolarHBondContact OG1-N 2.97Å; T586-E589 VanDerWaalsContact OG1-N 3.14Å; T586-F590 PolarHBondContact O-N 3.37Å
587P92.2Very high79.5Confident20 Ų2079.9 Ų79.913%0.1342%0.416CS..Hα-helixtrans-51.6-40.7172.8-29.938.2000113T564 D566 F590 Q591T564-P587 HydrophobicContact CG2-CB 4.45Å; T564-P587 HydrophobicContact CG2-CG 4.11Å; D566-P587 HydrophobicContact CB-CG 3.92Å; P587-F590 PolarHBondContact O-N 3.03Å; P587-Q591 WeakPolarHBondContact O-CB 3.29Å; P587-Q591 WeakPolarHBondContact O-CG 3.4Å; P587-Q591 PolarHBondContact O-N 2.84Å
588E90Very high76.2Confident109 Ų10984 Ų8451%0.50945%0.446SS..Hα-helixtrans-67.9-39.9178.6-54.475.2-163.500112T586 Q591 M592T586-E588 VanDerWaalsContact CB-OE2 3.26Å; T586-E588 WeakPolarHBondContact CB-OE2 3.38Å; T586-E588 PolarHBondContact O-N 2.71Å; T586-E588 PolarHBondContact OG1-N 3.32Å; T586-E588 PolarHBondContact OG1-OE2 3.37Å; E588-Q591 PolarHBondContact O-N 3.31Å; E588-M592 HydrophobicContact CB-CE 4.09Å; E588-M592 WeakPolarHBondContact O-CB 3.46Å; E588-M592 VanDerWaalsContact O-CG 3.3Å; E588-M592 WeakPolarHBondContact O-CG 3.29Å; E588-M592 PolarHBondContact O-N 3.49Å
589E87.8Confident73.1Confident106 Ų10685.5 Ų85.550%0.49546%0.46SS..Hα-helixtrans-65-42.3175.1-73.5179.2166.100111.5V585 T586 Q591 M592 G593V585-E589 HydrophobicContact CG1-CB 3.62Å; T586-E589 HydrophobicContact CG2-CG 4.46Å; T586-E589 PolarHBondContact N-OE2 3.49Å; T586-E589 PolarHBondContact O-N 2.92Å; T586-E589 VanDerWaalsContact O-N 3.11Å; T586-E589 WeakPolarHBondContact OG1-CG 3.32Å; T586-E589 PolarHBondContact OG1-N 2.97Å; T586-E589 VanDerWaalsContact OG1-N 3.14Å; E589-Q591 VanDerWaalsContact C-N 3.32Å; E589-Q591 PolarHBondContact O-N 3.29Å; E589-M592 PolarHBondContact O-N 3.21Å; E589-G593 PolarHBondContact O-N 2.94Å
590F87.5Confident69.8Low34 Ų3489 Ų8915%0.14947%0.47CS..Hα-helixtrans-58.1-47.9173.2-176.4-81.9000110.5V8 Y19 R22 M524 T564 V585 T586 P587 M592 G593V8-F590 HydrophobicContact CG2-CD2 4.46Å; V8-F590 HydrophobicContact CG2-CE2 4.02Å; V8-F590 HydrophobicContact CG2-CZ 4.28Å; Y19-F590 AromaticContact CD1-CD1 3.4Å; Y19-F590 HydrophobicContact CD1-CD1 3.4Å; Y19-F590 AromaticContact CD1-CE1 3.35Å; Y19-F590 HydrophobicContact CD1-CE1 3.35Å; Y19-F590 HydrophobicContact CD1-CE2 4.46Å; Y19-F590 HydrophobicContact CD1-CG 4.03Å; Y19-F590 AromaticContact CD1-CZ 3.91Å; Y19-F590 HydrophobicContact CD1-CZ 3.91Å; Y19-F590 HydrophobicContact CE1-CB 4.46Å; Y19-F590 AromaticContact CE1-CD1 3.66Å; Y19-F590 HydrophobicContact CE1-CD1 3.66Å; Y19-F590 HydrophobicContact CE1-CE1 4.11Å; Y19-F590 HydrophobicContact CE1-CG 4.05Å; Y19-F590 HydrophobicContact CG-CE1 4.23Å; R22-F590 HydrophobicContact CB-CE1 4.41Å; R22-F590 HydrophobicContact CG-CE1 4.28Å; M524-F590 HydrophobicContact CE-CZ 4.39Å; T564-F590 HydrophobicContact CG2-CB 4.34Å; V585-F590 HydrophobicContact CG1-CB 4.45Å; T586-F590 PolarHBondContact O-N 3.37Å; P587-F590 PolarHBondContact O-N 3.03Å; F590-M592 VanDerWaalsContact C-N 3.35Å; F590-M592 PolarHBondContact O-N 2.99Å; F590-G593 PolarHBondContact O-N 2.89Å
591Q82.2Confident66.6Low102 Ų10291.2 Ų91.248%0.47749%0.491SS..Hα-helixtrans-62.3-41.3177.3-71.1174.622.700111.3R22 P587 E588 E589R22-Q591 PolarHBondContact NE-O 3.32Å; R22-Q591 PolarHBondContact NH2-O 3.5Å; P587-Q591 WeakPolarHBondContact O-CB 3.29Å; P587-Q591 WeakPolarHBondContact O-CG 3.4Å; P587-Q591 PolarHBondContact O-N 2.84Å; E588-Q591 PolarHBondContact O-N 3.31Å; E589-Q591 VanDerWaalsContact C-N 3.32Å; E589-Q591 PolarHBondContact O-N 3.29Å
592M75.6Confident63.4Low113 Ų11394.5 Ų94.556%0.55751%0.506SS*.Hα-helixtrans-72.2-27.7-179.4-77.1-167.9-8600114.1E588 E589 F590 G594 R595E588-M592 HydrophobicContact CB-CE 4.09Å; E588-M592 WeakPolarHBondContact O-CB 3.46Å; E588-M592 VanDerWaalsContact O-CG 3.3Å; E588-M592 WeakPolarHBondContact O-CG 3.29Å; E588-M592 PolarHBondContact O-N 3.49Å; E589-M592 PolarHBondContact O-N 3.21Å; F590-M592 VanDerWaalsContact C-N 3.35Å; F590-M592 PolarHBondContact O-N 2.99Å; M592-G594 PolarHBondContact O-N 3.05Å; M592-R595 PolarHBondContact O-N 3.25Å
593G62.7Low60.3Low64 Ų64102.4 Ų102.466%0.6655%0.547SS*.THydrogen-bonded Turntrans-56.3-13.8-176.800000116.2E589 F590E589-G593 PolarHBondContact O-N 2.94Å; F590-G593 PolarHBondContact O-N 2.89Å
594G51.2Low57.1Low35 Ų35101.5 Ų101.536%0.36156%0.558SS.*THydrogen-bonded Turntrans-85.9-20.917200000115.4M592 R596M592-G594 PolarHBondContact O-N 3.05Å; G594-R596 PolarHBondContact O-N 3.28Å
595R38.8Very low53.8Low193 Ų193111.8 Ų111.873%0.72860%0.595SS**  trans-86.597.2173.2-72.8-175-178.7176.93.6107.4M592 I597M592-R595 PolarHBondContact O-N 3.25Å; R595-I597 PolarHBondContact O-N 2.82Å
596R31.8Very low50.7Low240 Ų240116.4 Ų116.491%0.90663%0.628SS**  trans-57.896.6154.8-74.9-169.9-172.8-171.33.1106.8G594 S598G594-R596 PolarHBondContact O-N 3.28Å; R596-S598 PolarHBondContact O-N 3Å
597I26.5Very low47.5Very low139 Ų139122.8 Ų122.871%0.71365%0.654SS**  trans-68.986.4158-57.7174.7000104.1R595R595-I597 PolarHBondContact O-N 2.82Å
598S27.1Very low44.4Very low91 Ų91125 Ų12564%0.63668%0.681SS**  trans-53.5127.8156.9-58.30000105.7R596 M600R596-S598 PolarHBondContact O-N 3Å; S598-M600 PolarHBondContact O-N 3.41Å; S598-M600 VanDerWaalsContact O-N 3.08Å
599P29Very low41.6Very low115 Ų115126.6 Ų126.675%0.74770%0.698SS**  trans-53.9124.6-176.1-2029.2000108.6S601P599-S601 PolarHBondContact O-N 3.4Å
600M25.1Very low38.7Very low184 Ų184127 Ų12791%0.90671%0.713SS**  trans-5987.8175.1-95.5-80.8-81.800109.3S598S598-M600 PolarHBondContact O-N 3.41Å; S598-M600 VanDerWaalsContact O-N 3.08Å
601S26.5Very low36Very low97 Ų97131.6 Ų131.668%0.67874%0.743SS**  trans-126.5100.5163.9147.90000105.4P599P599-S601 PolarHBondContact O-N 3.4Å
602C27.4Very low33.4Very low116 Ų116130.6 Ų130.678%0.78475%0.753SS**SBendtrans61.594.3161-54.10000116
603L29Very low31.3Very low172 Ų172131.9 Ų131.990%0.90175%0.752SS**  -167.2119.6123.7-97.2164.3000109.5
604A27.5Very low29.6Very low89 Ų89139.2 Ų139.274%0.73676%0.76SS**  trans-70.4150.3174.900000111.6
605R24.6Very low28.5Very low250 Ų250143.1 Ų143.194%0.94378%0.777SS**  trans63.7106.9159.8-70.3-177.4172.8-159.1-3.7118
606S29.3Very low28.2Very low119 Ų119141.7 Ų141.783%0.83278%0.779SS**  -164.7118.5118.2-174.60000109.2
607E25.7Very low28Very low190 Ų190136.5 Ų136.589%0.88878%0.776SS**  trans-64.1149.1163.7-69.2166.9157.500110.1
608G28.1Very low28.1Very low67 Ų67133.5 Ų133.569%0.69178%0.779SS**  trans88.996.4157.400000116.9
609T29.6Very low28.4Very low143 Ų143137.5 Ų137.588%0.87778%0.78SS**  -168.8121.8122.45.40000110.9V611T609-V611 PolarHBondContact O-N 2.64Å
610S28.5Very low28.3Very low115 Ų115141.2 Ų141.280%0.80479%0.785SS**  trans-50.5132.7165.3165.90000110.1A612S610-A612 VanDerWaalsContact C-N 3.34Å; S610-A612 PolarHBondContact O-N 3.25Å
611V29.8Very low28.2Very low130 Ų130141.1 Ų141.179%0.78878%0.782SS**  trans-75.387.7178.4-177.80000108T609 Y613T609-V611 PolarHBondContact O-N 2.64Å; V611-Y613 PolarHBondContact O-N 3.4Å
612A28.4Very low28.3Very low81 Ų81144.4 Ų144.467%0.66979%0.79SS**  trans-68.7125.416700000109.2S610 R614S610-A612 VanDerWaalsContact C-N 3.34Å; S610-A612 PolarHBondContact O-N 3.25Å; A612-R614 PolarHBondContact O-N 3.47Å
613Y29.7Very low28.4Very low140 Ų140148.5 Ų148.555%0.54981%0.811SS.*  trans-59.4108.2170.9-75.2-89.6000108.7P59 V611 T615P59-Y613 HydrophobicContact CG-CD2 4.24Å; P59-Y613 HydrophobicContact CG-CE2 4.29Å; V611-Y613 PolarHBondContact O-N 3.4Å; Y613-T615 PolarHBondContact O-N 3.09Å
614R28.1Very low28.4Very low217 Ų217147.3 Ų147.382%0.81981%0.806SS**  trans-69.8120.4176.8-84.7-173.2176.6-175-0.6109.7A612A612-R614 PolarHBondContact O-N 3.47Å
615T28.1Very low28.4Very low117 Ų117150.4 Ų150.472%0.71881%0.81SS**  trans-73.8114.2158.835.90000108.9Y613Y613-T615 PolarHBondContact O-N 3.09Å
616E31.9Very low28.6Very low164 Ų164144.8 Ų144.877%0.76680%0.803SS**  trans-86.7128.5166.8-84-163.3171.700110.2
617P28Very low28.6Very low131 Ų131146.4 Ų146.485%0.85180%0.801SS**  trans-88.1122.717729.5-24.6000110.9
618G29.3Very low28.8Very low75 Ų75143.6 Ų143.677%0.77380%0.796SS**  trans179.354.817800000114.8K620G618-K620 PolarHBondContact O-N 2.7Å
619R32.4Very low28.8Very low176 Ų176148.7 Ų148.766%0.66480%0.803SS**PPolyproline II helixtrans-73.2117.9167.9-115.6-174.1-174168.67.5108.8P138P138-R619 PolarHBondContact O-NH1 3.07Å
620K26.5Very low28.8Very low193 Ų193149.1 Ų149.184%0.83980%0.797SS**PPolyproline II helixtrans-90.5118.4151-82.3-175.1174.8-179.30106.6G618 I622G618-K620 PolarHBondContact O-N 2.7Å; K620-I622 PolarHBondContact O-N 3.24Å
621E24.8Very low28.8Very low182 Ų182151.8 Ų151.885%0.8580%0.797SS**PPolyproline II helixtrans-58118.3169.9-67.2175.1164.700108.3
622I27.1Very low28.7Very low166 Ų166153.6 Ų153.685%0.85180%0.797SS**  trans-98.1113.9166.2-59.8177.8000105.1K620K620-I622 PolarHBondContact O-N 3.24Å
623V30Very low28.7Very low201 Ų201160.2 Ų160.2100%1.21881%0.809SS**  trans-71.60177.91780000110.5

Retrieved 623 of 623 residues in 725.5 ms (Link to these results)

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